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 3b9e_1_A DATA FIRST_RESID 22 DATA SEQUENCE APTAPSIDMY GSNNLQFSKI ELAMETTSGY NDMVKYHELA KIKVKFNQWS DATA SEQUENCE GTSGDTYNVY FDGVKVATGA ITGSQTTASF EYGQGGLYQM EIEAcDATGc DATA SEQUENCE SKSAPVEITI ADTDGSHLKP LTMNVDPNNK SYNTDPSIVM GTYFVEWGIY DATA SEQUENCE GRDYTVDNMP VDNLTHILYG FIPIcGPNES VKSVGGNSFN ALQTAcRGVN DATA SEQUENCE DYEVVIHDPW AAYQKSFPQA GHEYSTPIKG NYAMLMALKQ RNPDLKIIPS DATA SEQUENCE IGGWTLSDPF YDFVDKKNRD TFVASVKKFL KTWKFYDGVD IDWMFPGGGG DATA SEQUENCE AAADKGDPVN DGPAYIALMR ELRVMLDELE AETGRTYELT SAIGVGYDKI DATA SEQUENCE EDVDYADAVQ YMDYIFAMTY DFYGGWNNVP GHQTALYcGS FMRPGQcDGG DATA SEQUENCE GVDENGEPYK GPAYTADNGI QLLLAQGVPA NKLVLGTAMY GRGWEGVTPD DATA SEQUENCE TLTDPNDPMT GTATGKLKGS TAQGVWEDGV IDYKGIKSFM LGANNTGING DATA SEQUENCE FEYGYDAQAE APWVWNRSTG ELITFDDHRS VLAKGNYAKS LGLAGLFSWE DATA SEQUENCE IDADNGDILN AMHEGMAGXX XTPPNRRSHH HHHH 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 22 A HA 0.000 nan 4.320 nan 0.000 0.244 22 A C 0.000 177.595 177.584 0.019 0.000 1.274 22 A CA 0.000 52.045 52.037 0.013 0.000 0.836 22 A CB 0.000 19.005 19.000 0.009 0.000 0.831 23 P HA 0.410 nan 4.420 nan 0.000 0.275 23 P C 0.005 177.322 177.300 0.029 0.000 1.266 23 P CA 0.062 63.180 63.100 0.031 0.000 0.793 23 P CB 0.211 31.934 31.700 0.040 0.000 1.074 24 T N 0.358 114.933 114.554 0.036 0.000 2.902 24 T HA 0.291 4.642 4.350 0.001 0.000 0.301 24 T C 0.553 175.266 174.700 0.021 0.000 1.012 24 T CA 0.001 62.121 62.100 0.033 0.000 1.151 24 T CB -0.065 68.830 68.868 0.044 0.000 0.946 24 T HN 0.535 nan 8.240 nan 0.000 0.542 25 A N 5.830 128.655 122.820 0.008 0.000 2.524 25 A HA 0.385 4.706 4.320 0.001 0.000 0.250 25 A C -1.998 175.570 177.584 -0.026 0.000 1.078 25 A CA -1.239 50.790 52.037 -0.014 0.000 0.761 25 A CB -0.507 18.485 19.000 -0.013 0.000 1.012 25 A HN 0.511 nan 8.150 nan 0.000 0.500 26 P HA 0.059 nan 4.420 nan 0.000 0.264 26 P C -0.224 177.040 177.300 -0.059 0.000 1.183 26 P CA 0.449 63.501 63.100 -0.080 0.000 0.763 26 P CB 0.678 32.123 31.700 -0.426 0.000 0.807 27 S N 3.705 119.388 115.700 -0.028 0.000 2.474 27 S HA 0.412 4.883 4.470 0.001 0.000 0.321 27 S C -0.159 174.438 174.600 -0.005 0.000 1.080 27 S CA -0.828 57.347 58.200 -0.043 0.000 1.106 27 S CB -0.104 63.039 63.200 -0.095 0.000 0.984 27 S HN 0.127 nan 8.310 nan 0.000 0.464 28 I N 4.106 124.692 120.570 0.028 0.000 2.533 28 I HA 0.162 4.333 4.170 0.001 0.000 0.284 28 I C 0.638 176.791 176.117 0.060 0.000 1.109 28 I CA -0.208 61.136 61.300 0.075 0.000 1.412 28 I CB 0.055 38.099 38.000 0.073 0.000 1.396 28 I HN 0.628 nan 8.210 nan 0.000 0.543 29 D N 7.397 127.837 120.400 0.067 0.000 2.402 29 D HA 0.096 4.737 4.640 0.001 0.000 0.235 29 D C 1.061 177.422 176.300 0.101 0.000 1.226 29 D CA -0.292 53.754 54.000 0.076 0.000 0.918 29 D CB 0.810 41.645 40.800 0.059 0.000 1.043 29 D HN 0.276 nan 8.370 nan 0.000 0.506 30 M N 3.100 122.764 119.600 0.107 0.000 2.080 30 M HA -0.208 4.272 4.480 0.001 0.000 0.260 30 M C 1.613 177.973 176.300 0.100 0.000 1.068 30 M CA 1.334 56.691 55.300 0.094 0.000 1.109 30 M CB -1.003 31.651 32.600 0.090 0.000 1.342 30 M HN 0.593 nan 8.290 nan 0.000 0.405 31 Y N 0.744 121.059 120.300 0.026 0.000 2.181 31 Y HA -0.100 4.450 4.550 0.001 0.000 0.288 31 Y C 2.260 178.169 175.900 0.015 0.000 1.146 31 Y CA 1.930 60.040 58.100 0.018 0.000 1.164 31 Y CB -0.670 37.807 38.460 0.028 0.000 0.982 31 Y HN 0.253 nan 8.280 nan 0.000 0.515 32 G N -1.847 107.024 108.800 0.119 0.000 2.679 32 G HA2 -0.092 3.868 3.960 0.001 0.000 0.212 32 G HA3 -0.092 3.868 3.960 0.001 0.000 0.212 32 G C 1.070 175.968 174.900 -0.004 0.000 1.137 32 G CA 0.786 45.910 45.100 0.039 0.000 0.787 32 G HN 0.368 nan 8.290 nan 0.000 0.534 33 S N 0.426 116.129 115.700 0.004 0.000 2.601 33 S HA 0.154 4.625 4.470 0.001 0.000 0.244 33 S C 0.771 175.321 174.600 -0.083 0.000 1.001 33 S CA -0.422 57.813 58.200 0.057 0.000 0.984 33 S CB -0.009 63.270 63.200 0.133 0.000 0.842 33 S HN 0.460 nan 8.310 nan 0.000 0.474 34 N N 2.689 121.270 118.700 -0.199 0.000 2.735 34 N HA -0.240 4.501 4.740 0.001 0.000 0.248 34 N C -0.044 175.274 175.510 -0.319 0.000 1.083 34 N CA 0.874 53.731 53.050 -0.321 0.000 0.703 34 N CB -1.788 36.450 38.487 -0.414 0.000 1.005 34 N HN 0.417 nan 8.380 nan 0.000 0.550 35 N N -0.307 118.281 118.700 -0.188 0.000 2.714 35 N HA -0.236 4.505 4.740 0.001 0.000 0.250 35 N C -0.174 175.247 175.510 -0.148 0.000 1.117 35 N CA 1.301 54.282 53.050 -0.115 0.000 0.719 35 N CB -1.109 37.329 38.487 -0.083 0.000 1.081 35 N HN 0.592 nan 8.380 nan 0.000 0.557 36 L N -3.208 117.891 121.223 -0.206 0.000 3.843 36 L HA -0.324 4.017 4.340 0.001 0.000 0.411 36 L C -0.444 176.224 176.870 -0.338 0.000 1.205 36 L CA 0.968 55.716 54.840 -0.152 0.000 0.945 36 L CB -1.131 40.962 42.059 0.055 0.000 1.929 36 L HN 0.344 nan 8.230 nan 0.000 0.934 37 Q N 0.347 119.748 119.800 -0.667 0.000 2.347 37 Q HA 0.685 5.026 4.340 0.001 0.000 0.262 37 Q C -0.517 174.993 176.000 -0.816 0.000 0.980 37 Q CA 0.149 55.649 55.803 -0.504 0.000 0.867 37 Q CB 1.375 29.934 28.738 -0.299 0.000 1.242 37 Q HN 0.160 nan 8.270 nan 0.000 0.453 38 F N -0.058 119.844 119.950 -0.080 0.000 2.620 38 F HA 0.633 5.160 4.527 0.001 0.000 0.320 38 F C 0.335 176.061 175.800 -0.123 0.000 1.069 38 F CA -0.954 56.985 58.000 -0.102 0.000 0.953 38 F CB 2.259 41.200 39.000 -0.097 0.000 1.322 38 F HN 0.276 nan 8.300 nan 0.000 0.479 39 S N 0.065 115.803 115.700 0.064 0.000 2.536 39 S HA 0.352 4.823 4.470 0.001 0.000 0.271 39 S C -0.088 174.471 174.600 -0.068 0.000 1.134 39 S CA -0.770 57.399 58.200 -0.052 0.000 0.897 39 S CB 1.598 64.743 63.200 -0.092 0.000 1.094 39 S HN 0.707 nan 8.310 nan 0.000 0.473 40 K N 2.278 122.610 120.400 -0.115 0.000 2.432 40 K HA 0.277 4.598 4.320 0.001 0.000 0.196 40 K C 0.293 176.717 176.600 -0.293 0.000 1.038 40 K CA 0.608 56.757 56.287 -0.231 0.000 0.986 40 K CB 0.139 32.448 32.500 -0.319 0.000 0.782 40 K HN 0.569 nan 8.250 nan 0.000 0.485 41 I N 1.371 121.852 120.570 -0.150 0.000 2.498 41 I HA 0.110 4.280 4.170 0.001 0.000 0.290 41 I C -1.238 174.832 176.117 -0.079 0.000 1.032 41 I CA -0.730 60.498 61.300 -0.120 0.000 1.073 41 I CB 1.697 39.641 38.000 -0.094 0.000 1.251 41 I HN -0.026 nan 8.210 nan 0.000 0.426 42 E N 7.899 128.057 120.200 -0.069 0.000 2.134 42 E HA 0.510 4.860 4.350 0.001 0.000 0.278 42 E C -1.374 175.161 176.600 -0.108 0.000 0.959 42 E CA -0.539 55.828 56.400 -0.055 0.000 0.783 42 E CB 1.907 31.610 29.700 0.006 0.000 1.095 42 E HN 0.451 nan 8.360 nan 0.000 0.399 43 L N 2.220 123.391 121.223 -0.087 0.000 2.376 43 L HA 0.492 4.833 4.340 0.001 0.000 0.275 43 L C -0.159 176.746 176.870 0.059 0.000 0.987 43 L CA -1.069 53.718 54.840 -0.087 0.000 0.828 43 L CB 1.854 43.804 42.059 -0.181 0.000 1.249 43 L HN 0.559 nan 8.230 nan 0.000 0.409 44 A N 4.132 127.031 122.820 0.131 0.000 2.492 44 A HA 0.336 4.656 4.320 0.001 0.000 0.254 44 A C 0.776 178.498 177.584 0.230 0.000 1.091 44 A CA 0.098 52.230 52.037 0.157 0.000 0.768 44 A CB 0.392 19.482 19.000 0.151 0.000 1.028 44 A HN 0.800 nan 8.150 nan 0.000 0.498 45 M N 0.988 120.680 119.600 0.154 0.000 2.571 45 M HA 0.109 4.590 4.480 0.001 0.000 0.259 45 M C 0.851 177.261 176.300 0.184 0.000 1.205 45 M CA 1.008 56.403 55.300 0.158 0.000 1.138 45 M CB -0.398 32.245 32.600 0.070 0.000 1.329 45 M HN 0.868 nan 8.290 nan 0.000 0.503 46 E N 0.391 120.683 120.200 0.153 0.000 2.583 46 E HA 0.105 4.455 4.350 0.001 0.000 0.213 46 E C -0.034 176.632 176.600 0.109 0.000 0.989 46 E CA -0.031 56.456 56.400 0.144 0.000 0.991 46 E CB 0.880 30.663 29.700 0.137 0.000 1.040 46 E HN 0.350 nan 8.360 nan 0.000 0.481 47 T N -1.892 112.730 114.554 0.114 0.000 2.883 47 T HA 0.542 4.892 4.350 0.001 0.000 0.296 47 T C -0.230 174.532 174.700 0.104 0.000 1.117 47 T CA -0.799 61.355 62.100 0.090 0.000 1.006 47 T CB 2.194 71.111 68.868 0.080 0.000 1.191 47 T HN -0.232 nan 8.240 nan 0.000 0.508 48 T N 1.740 116.345 114.554 0.084 0.000 2.881 48 T HA 0.782 5.133 4.350 0.001 0.000 0.291 48 T C -0.233 174.519 174.700 0.086 0.000 0.990 48 T CA -0.614 61.543 62.100 0.094 0.000 0.976 48 T CB 1.309 70.223 68.868 0.077 0.000 0.970 48 T HN 1.091 nan 8.240 nan 0.000 0.438 49 S N 1.892 117.655 115.700 0.105 0.000 3.070 49 S HA 0.846 5.317 4.470 0.001 0.000 0.320 49 S C 0.325 174.996 174.600 0.118 0.000 1.215 49 S CA -0.758 57.497 58.200 0.092 0.000 0.956 49 S CB 0.490 63.735 63.200 0.076 0.000 1.337 49 S HN 0.878 nan 8.310 nan 0.000 0.639 50 G N -0.160 108.704 108.800 0.107 0.000 2.491 50 G HA2 0.334 4.294 3.960 0.001 0.000 0.242 50 G HA3 0.334 4.294 3.960 0.001 0.000 0.242 50 G C 0.200 175.216 174.900 0.194 0.000 1.266 50 G CA -0.125 45.058 45.100 0.138 0.000 0.844 50 G HN 0.744 nan 8.290 nan 0.000 0.571 51 Y N 1.821 122.198 120.300 0.128 0.000 2.114 51 Y HA -0.248 4.303 4.550 0.001 0.000 0.282 51 Y C 2.503 178.493 175.900 0.150 0.000 1.165 51 Y CA 2.471 60.680 58.100 0.182 0.000 1.148 51 Y CB 0.118 38.698 38.460 0.200 0.000 0.972 51 Y HN 0.501 nan 8.280 nan 0.000 0.504 52 N N 0.112 118.905 118.700 0.154 0.000 2.396 52 N HA -0.136 4.604 4.740 0.001 0.000 0.180 52 N C 1.268 176.773 175.510 -0.009 0.000 1.028 52 N CA 1.384 54.457 53.050 0.038 0.000 0.893 52 N CB -0.363 38.187 38.487 0.104 0.000 0.967 52 N HN 0.514 nan 8.380 nan 0.000 0.440 53 D N 0.264 120.680 120.400 0.027 0.000 2.183 53 D HA 0.079 4.720 4.640 0.001 0.000 0.205 53 D C 1.858 178.166 176.300 0.013 0.000 0.962 53 D CA 0.687 54.702 54.000 0.025 0.000 0.849 53 D CB 0.218 41.048 40.800 0.050 0.000 0.978 53 D HN 0.129 nan 8.370 nan 0.000 0.488 54 M N -0.505 119.106 119.600 0.019 0.000 2.334 54 M HA 0.064 4.544 4.480 0.001 0.000 0.266 54 M C 0.095 176.362 176.300 -0.056 0.000 1.082 54 M CA 0.475 55.805 55.300 0.051 0.000 1.141 54 M CB 0.867 33.579 32.600 0.186 0.000 1.380 54 M HN -0.227 nan 8.290 nan 0.000 0.440 55 V N 1.559 121.347 119.914 -0.210 0.000 2.409 55 V HA 0.305 4.425 4.120 0.001 0.000 0.291 55 V C -0.875 175.050 176.094 -0.281 0.000 1.020 55 V CA -0.742 61.357 62.300 -0.336 0.000 0.848 55 V CB 1.430 32.895 31.823 -0.597 0.000 0.990 55 V HN 0.157 nan 8.190 nan 0.000 0.430 56 K N 4.327 124.580 120.400 -0.244 0.000 2.463 56 K HA 0.551 4.871 4.320 0.001 0.000 0.255 56 K C -1.346 175.030 176.600 -0.375 0.000 0.942 56 K CA -0.485 55.636 56.287 -0.277 0.000 0.814 56 K CB 2.052 34.432 32.500 -0.200 0.000 1.122 56 K HN 0.617 nan 8.250 nan 0.000 0.425 57 Y N 2.821 122.789 120.300 -0.553 0.000 2.377 57 Y HA 0.392 4.943 4.550 0.001 0.000 0.339 57 Y C -0.641 174.892 175.900 -0.612 0.000 1.011 57 Y CA -0.490 57.302 58.100 -0.513 0.000 1.093 57 Y CB 1.099 39.310 38.460 -0.415 0.000 1.201 57 Y HN 0.581 nan 8.280 nan 0.000 0.455 58 H N 5.069 123.677 119.070 -0.770 0.000 2.529 58 H HA 0.183 4.739 4.556 0.001 0.000 0.348 58 H C 0.236 175.213 175.328 -0.584 0.000 1.079 58 H CA -0.650 55.109 56.048 -0.481 0.000 1.198 58 H CB 2.050 31.612 29.762 -0.334 0.000 1.521 58 H HN 0.767 nan 8.280 nan 0.000 0.514 59 E N 2.104 122.219 120.200 -0.141 0.000 2.204 59 E HA -0.000 4.350 4.350 0.001 0.000 0.194 59 E C 0.233 176.781 176.600 -0.086 0.000 0.989 59 E CA 0.712 57.076 56.400 -0.059 0.000 0.824 59 E CB 0.426 30.132 29.700 0.011 0.000 0.756 59 E HN 0.465 nan 8.360 nan 0.000 0.477 60 L N 0.260 121.430 121.223 -0.088 0.000 2.381 60 L HA 0.455 4.795 4.340 0.001 0.000 0.274 60 L C -0.281 176.516 176.870 -0.122 0.000 0.988 60 L CA -0.946 53.839 54.840 -0.092 0.000 0.824 60 L CB 1.962 43.977 42.059 -0.073 0.000 1.263 60 L HN -0.211 nan 8.230 nan 0.000 0.410 61 A N 3.295 126.047 122.820 -0.112 0.000 2.440 61 A HA 0.322 4.642 4.320 0.001 0.000 0.251 61 A C -0.064 177.388 177.584 -0.221 0.000 1.089 61 A CA -0.247 51.701 52.037 -0.148 0.000 0.779 61 A CB 0.111 19.068 19.000 -0.072 0.000 1.022 61 A HN 0.686 nan 8.150 nan 0.000 0.492 62 K N 2.728 122.967 120.400 -0.268 0.000 2.310 62 K HA 0.283 4.604 4.320 0.001 0.000 0.290 62 K C -0.653 175.670 176.600 -0.461 0.000 1.077 62 K CA -0.106 55.994 56.287 -0.311 0.000 0.922 62 K CB 0.457 32.806 32.500 -0.251 0.000 1.057 62 K HN 0.496 nan 8.250 nan 0.000 0.479 63 I N 3.179 123.292 120.570 -0.761 0.000 2.353 63 I HA 0.249 4.419 4.170 0.001 0.000 0.293 63 I C 0.050 175.660 176.117 -0.846 0.000 0.992 63 I CA -0.425 60.101 61.300 -1.289 0.000 1.268 63 I CB 1.082 38.015 38.000 -1.777 0.000 1.387 63 I HN 0.531 nan 8.210 nan 0.000 0.478 64 K N 5.946 126.022 120.400 -0.540 0.000 2.640 64 K HA 0.582 4.903 4.320 0.001 0.000 0.245 64 K C -1.889 174.762 176.600 0.084 0.000 0.962 64 K CA -0.345 55.869 56.287 -0.120 0.000 0.896 64 K CB 1.624 34.122 32.500 -0.004 0.000 1.147 64 K HN 0.419 nan 8.250 nan 0.000 0.445 65 V N 4.363 124.325 119.914 0.080 0.000 2.448 65 V HA 0.400 4.521 4.120 0.001 0.000 0.295 65 V C -0.544 175.616 176.094 0.110 0.000 1.025 65 V CA -0.888 61.514 62.300 0.170 0.000 0.859 65 V CB 1.708 33.676 31.823 0.241 0.000 0.988 65 V HN 0.656 nan 8.190 nan 0.000 0.431 66 K N 4.892 125.342 120.400 0.084 0.000 2.182 66 K HA 0.734 5.055 4.320 0.001 0.000 0.262 66 K C -1.052 175.578 176.600 0.050 0.000 0.957 66 K CA -0.344 55.928 56.287 -0.024 0.000 0.842 66 K CB 1.853 34.332 32.500 -0.034 0.000 1.099 66 K HN 0.638 nan 8.250 nan 0.000 0.438 67 F N -0.544 119.331 119.950 -0.125 0.000 2.599 67 F HA 0.557 5.085 4.527 0.001 0.000 0.311 67 F C -0.828 174.827 175.800 -0.242 0.000 1.076 67 F CA -1.166 56.736 58.000 -0.164 0.000 0.937 67 F CB 1.301 40.212 39.000 -0.149 0.000 1.282 67 F HN 0.234 nan 8.300 nan 0.000 0.460 68 N N 1.593 120.181 118.700 -0.186 0.000 2.314 68 N HA 0.337 5.077 4.740 0.001 0.000 0.304 68 N C -1.569 173.694 175.510 -0.411 0.000 1.073 68 N CA -0.707 52.013 53.050 -0.551 0.000 0.822 68 N CB 2.240 39.974 38.487 -1.255 0.000 1.280 68 N HN 0.755 nan 8.380 nan 0.000 0.489 69 Q N 0.975 120.554 119.800 -0.369 0.000 3.064 69 Q HA 0.225 4.565 4.340 0.001 0.000 0.258 69 Q C 0.162 176.128 176.000 -0.056 0.000 0.972 69 Q CA -0.533 55.184 55.803 -0.143 0.000 0.761 69 Q CB 1.136 29.880 28.738 0.011 0.000 1.281 69 Q HN 0.640 nan 8.270 nan 0.000 0.455 70 W N 0.431 121.758 121.300 0.046 0.000 2.413 70 W HA 0.051 4.711 4.660 0.001 0.000 0.315 70 W C 0.713 177.249 176.519 0.028 0.000 1.186 70 W CA 0.228 57.590 57.345 0.030 0.000 1.326 70 W CB -0.460 29.015 29.460 0.024 0.000 1.153 70 W HN 0.207 nan 8.180 nan 0.000 0.489 71 S N -0.538 115.324 115.700 0.270 0.000 2.601 71 S HA 0.528 4.998 4.470 0.001 0.000 0.271 71 S C 0.601 175.266 174.600 0.109 0.000 1.305 71 S CA 0.272 58.566 58.200 0.158 0.000 1.022 71 S CB 1.194 64.475 63.200 0.135 0.000 0.940 71 S HN 0.498 nan 8.310 nan 0.000 0.525 72 G N 1.871 110.720 108.800 0.082 0.000 2.645 72 G HA2 -0.210 3.751 3.960 0.001 0.000 0.246 72 G HA3 -0.210 3.751 3.960 0.001 0.000 0.246 72 G C -0.019 174.918 174.900 0.060 0.000 1.322 72 G CA -0.274 44.863 45.100 0.062 0.000 0.898 72 G HN 1.189 nan 8.290 nan 0.000 0.573 73 T N -2.300 112.284 114.554 0.050 0.000 2.849 73 T HA 0.642 4.992 4.350 0.001 0.000 0.284 73 T C 1.610 176.343 174.700 0.054 0.000 1.004 73 T CA 0.847 62.976 62.100 0.048 0.000 1.021 73 T CB 1.581 70.472 68.868 0.039 0.000 1.013 73 T HN 2.002 nan 8.240 nan 0.000 0.527 74 S N 0.104 115.838 115.700 0.057 0.000 2.502 74 S HA 0.568 5.039 4.470 0.001 0.000 0.228 74 S C 1.306 175.954 174.600 0.080 0.000 1.061 74 S CA 0.190 58.434 58.200 0.072 0.000 0.935 74 S CB -0.820 62.422 63.200 0.070 0.000 0.809 74 S HN 2.003 nan 8.310 nan 0.000 0.510 75 G N 1.117 109.955 108.800 0.064 0.000 2.592 75 G HA2 -0.048 3.913 3.960 0.001 0.000 0.684 75 G HA3 -0.048 3.913 3.960 0.001 0.000 0.684 75 G C -0.700 174.236 174.900 0.060 0.000 1.291 75 G CA 0.033 45.167 45.100 0.058 0.000 0.891 75 G HN 0.198 nan 8.290 nan 0.000 0.544 76 D N -0.373 120.053 120.400 0.044 0.000 2.269 76 D HA 0.206 4.846 4.640 0.001 0.000 0.220 76 D C 1.357 177.677 176.300 0.034 0.000 0.962 76 D CA 1.942 55.961 54.000 0.032 0.000 0.884 76 D CB 0.066 40.871 40.800 0.010 0.000 1.023 76 D HN 0.556 nan 8.370 nan 0.000 0.484 77 T N 0.074 114.643 114.554 0.026 0.000 2.876 77 T HA 0.436 4.787 4.350 0.001 0.000 0.289 77 T C -0.701 174.022 174.700 0.039 0.000 1.014 77 T CA -0.839 61.246 62.100 -0.025 0.000 0.986 77 T CB 1.703 70.517 68.868 -0.090 0.000 1.021 77 T HN 0.033 nan 8.240 nan 0.000 0.458 78 Y N 0.622 120.926 120.300 0.005 0.000 2.457 78 Y HA 0.812 5.362 4.550 0.001 0.000 0.333 78 Y C -0.552 175.268 175.900 -0.133 0.000 1.119 78 Y CA -1.238 56.840 58.100 -0.037 0.000 1.143 78 Y CB 1.181 39.685 38.460 0.074 0.000 1.230 78 Y HN 0.367 nan 8.280 nan 0.000 0.469 79 N N 1.627 120.314 118.700 -0.023 0.000 2.249 79 N HA 0.482 5.223 4.740 0.001 0.000 0.296 79 N C -1.759 173.566 175.510 -0.309 0.000 1.051 79 N CA -0.656 52.227 53.050 -0.279 0.000 0.815 79 N CB 2.715 40.967 38.487 -0.391 0.000 1.487 79 N HN 0.544 nan 8.380 nan 0.000 0.475 80 V N 2.685 122.317 119.914 -0.469 0.000 2.398 80 V HA 0.443 4.564 4.120 0.001 0.000 0.286 80 V C -0.951 174.762 176.094 -0.636 0.000 1.026 80 V CA -0.555 61.486 62.300 -0.431 0.000 0.868 80 V CB 0.405 31.951 31.823 -0.463 0.000 0.982 80 V HN 0.498 nan 8.190 nan 0.000 0.443 81 Y N 3.962 124.188 120.300 -0.123 0.000 2.393 81 Y HA 0.662 5.213 4.550 0.001 0.000 0.341 81 Y C -0.447 175.563 175.900 0.184 0.000 0.988 81 Y CA -0.879 57.184 58.100 -0.061 0.000 1.078 81 Y CB 1.807 40.255 38.460 -0.020 0.000 1.203 81 Y HN 0.448 nan 8.280 nan 0.000 0.453 82 F N 2.800 122.749 119.950 -0.002 0.000 2.402 82 F HA 0.249 4.777 4.527 0.001 0.000 0.355 82 F C 0.107 175.961 175.800 0.089 0.000 1.123 82 F CA -1.848 56.131 58.000 -0.035 0.000 1.021 82 F CB 0.926 39.707 39.000 -0.366 0.000 1.160 82 F HN 0.624 nan 8.300 nan 0.000 0.451 83 D N 2.603 123.176 120.400 0.289 0.000 2.686 83 D HA -0.194 4.447 4.640 0.001 0.000 0.235 83 D C 1.455 177.845 176.300 0.150 0.000 1.160 83 D CA 1.563 55.681 54.000 0.197 0.000 0.645 83 D CB -0.917 40.017 40.800 0.223 0.000 1.039 83 D HN 1.052 nan 8.370 nan 0.000 0.423 84 G N -2.370 106.509 108.800 0.132 0.000 2.205 84 G HA2 -0.327 3.634 3.960 0.001 0.000 0.261 84 G HA3 -0.327 3.634 3.960 0.001 0.000 0.261 84 G C 0.382 175.379 174.900 0.161 0.000 0.980 84 G CA 0.284 45.410 45.100 0.042 0.000 0.632 84 G HN 0.606 nan 8.290 nan 0.000 0.533 85 V N 1.147 121.199 119.914 0.230 0.000 2.394 85 V HA 0.473 4.593 4.120 0.001 0.000 0.282 85 V C 0.746 176.926 176.094 0.143 0.000 1.031 85 V CA -0.721 61.695 62.300 0.194 0.000 0.881 85 V CB 1.668 33.569 31.823 0.130 0.000 0.982 85 V HN 0.375 nan 8.190 nan 0.000 0.451 86 K N 3.121 123.550 120.400 0.047 0.000 2.412 86 K HA 0.210 4.531 4.320 0.001 0.000 0.284 86 K C 0.691 177.071 176.600 -0.367 0.000 1.046 86 K CA 0.017 56.098 56.287 -0.343 0.000 0.999 86 K CB 0.864 33.150 32.500 -0.357 0.000 0.941 86 K HN 0.658 nan 8.250 nan 0.000 0.474 87 V N 0.829 120.385 119.914 -0.596 0.000 3.612 87 V HA 0.502 4.623 4.120 0.001 0.000 0.268 87 V C 0.120 175.742 176.094 -0.787 0.000 1.365 87 V CA 0.320 62.224 62.300 -0.661 0.000 1.044 87 V CB 0.195 31.367 31.823 -1.085 0.000 0.820 87 V HN 0.617 nan 8.190 nan 0.000 0.444 88 A N -0.651 121.659 122.820 -0.851 0.000 2.594 88 A HA 0.829 5.149 4.320 0.001 0.000 0.295 88 A C -0.592 176.687 177.584 -0.508 0.000 1.071 88 A CA 0.222 51.818 52.037 -0.735 0.000 0.685 88 A CB 1.882 20.155 19.000 -1.212 0.000 1.285 88 A HN 0.395 nan 8.150 nan 0.000 0.405 89 T N -0.642 113.650 114.554 -0.436 0.000 2.853 89 T HA 0.816 5.166 4.350 0.001 0.000 0.311 89 T C -0.399 173.863 174.700 -0.731 0.000 1.307 89 T CA 0.455 62.191 62.100 -0.607 0.000 1.019 89 T CB 1.654 70.262 68.868 -0.434 0.000 1.264 89 T HN 2.525 nan 8.240 nan 0.000 0.497 90 G N 0.676 108.815 108.800 -1.101 0.000 2.328 90 G HA2 0.646 4.606 3.960 0.001 0.000 0.295 90 G HA3 0.646 4.606 3.960 0.001 0.000 0.295 90 G C -0.918 173.664 174.900 -0.531 0.000 1.413 90 G CA -0.058 44.617 45.100 -0.709 0.000 0.817 90 G HN 1.039 nan 8.290 nan 0.000 0.546 91 A N -0.521 122.211 122.820 -0.146 0.000 2.386 91 A HA 0.709 5.030 4.320 0.001 0.000 0.248 91 A C 0.132 177.816 177.584 0.167 0.000 1.082 91 A CA -0.120 51.915 52.037 -0.005 0.000 0.789 91 A CB 0.133 19.134 19.000 0.003 0.000 1.025 91 A HN 0.730 nan 8.150 nan 0.000 0.490 92 I N 1.416 122.083 120.570 0.162 0.000 2.354 92 I HA 0.308 4.478 4.170 0.001 0.000 0.292 92 I C -0.303 175.866 176.117 0.086 0.000 0.989 92 I CA -0.035 61.375 61.300 0.183 0.000 1.188 92 I CB 1.899 40.026 38.000 0.212 0.000 1.342 92 I HN 0.553 nan 8.210 nan 0.000 0.457 93 T N 4.729 119.313 114.554 0.050 0.000 2.815 93 T HA 0.626 4.976 4.350 0.001 0.000 0.289 93 T C 0.304 175.007 174.700 0.005 0.000 1.000 93 T CA -0.172 61.942 62.100 0.025 0.000 0.958 93 T CB 1.546 70.425 68.868 0.018 0.000 0.944 93 T HN 1.079 nan 8.240 nan 0.000 0.442 94 G N 2.466 111.276 108.800 0.016 0.000 2.645 94 G HA2 -0.249 3.711 3.960 0.001 0.000 0.239 94 G HA3 -0.249 3.711 3.960 0.001 0.000 0.239 94 G C 0.966 175.872 174.900 0.010 0.000 1.331 94 G CA 0.094 45.204 45.100 0.017 0.000 0.890 94 G HN 0.827 nan 8.290 nan 0.000 0.572 95 S N -0.362 115.351 115.700 0.021 0.000 2.558 95 S HA 0.205 4.676 4.470 0.001 0.000 0.217 95 S C 0.680 175.226 174.600 -0.090 0.000 0.975 95 S CA 1.582 59.791 58.200 0.016 0.000 0.912 95 S CB -0.281 63.001 63.200 0.137 0.000 0.776 95 S HN 0.529 nan 8.310 nan 0.000 0.526 96 Q N 1.498 121.233 119.800 -0.109 0.000 2.321 96 Q HA 0.405 4.745 4.340 0.001 0.000 0.270 96 Q C -1.389 174.426 176.000 -0.308 0.000 1.032 96 Q CA -0.145 55.532 55.803 -0.210 0.000 0.784 96 Q CB 2.075 30.755 28.738 -0.098 0.000 1.264 96 Q HN 0.161 nan 8.270 nan 0.000 0.448 97 T N 1.429 115.613 114.554 -0.616 0.000 2.879 97 T HA 0.431 4.782 4.350 0.001 0.000 0.290 97 T C -0.394 173.835 174.700 -0.785 0.000 0.993 97 T CA -0.493 61.180 62.100 -0.712 0.000 0.975 97 T CB 1.507 69.846 68.868 -0.882 0.000 0.981 97 T HN 0.280 nan 8.240 nan 0.000 0.439 98 T N 2.776 117.090 114.554 -0.400 0.000 2.749 98 T HA 0.610 4.960 4.350 0.001 0.000 0.287 98 T C 0.107 174.699 174.700 -0.180 0.000 0.970 98 T CA -0.597 61.351 62.100 -0.252 0.000 0.980 98 T CB 0.986 69.780 68.868 -0.122 0.000 0.924 98 T HN 0.743 nan 8.240 nan 0.000 0.456 99 A N 3.247 125.990 122.820 -0.127 0.000 2.294 99 A HA 0.614 4.934 4.320 0.001 0.000 0.316 99 A C 0.259 177.945 177.584 0.171 0.000 1.359 99 A CA -0.626 51.418 52.037 0.012 0.000 0.956 99 A CB 0.236 19.217 19.000 -0.032 0.000 1.155 99 A HN 0.670 nan 8.150 nan 0.000 0.544 100 S N 2.359 118.163 115.700 0.173 0.000 2.474 100 S HA 0.777 5.248 4.470 0.001 0.000 0.321 100 S C -0.639 174.068 174.600 0.178 0.000 1.080 100 S CA -0.385 57.859 58.200 0.072 0.000 1.106 100 S CB 0.229 63.433 63.200 0.007 0.000 0.984 100 S HN 0.788 nan 8.310 nan 0.000 0.464 101 F N 0.039 119.932 119.950 -0.094 0.000 2.745 101 F HA 0.738 5.266 4.527 0.001 0.000 0.316 101 F C -0.813 174.916 175.800 -0.119 0.000 1.155 101 F CA -1.275 56.666 58.000 -0.098 0.000 0.937 101 F CB 0.938 39.873 39.000 -0.108 0.000 1.361 101 F HN 0.303 nan 8.300 nan 0.000 0.472 102 E N 0.090 120.326 120.200 0.061 0.000 2.227 102 E HA 0.465 4.815 4.350 0.001 0.000 0.268 102 E C -2.207 174.482 176.600 0.147 0.000 0.907 102 E CA -0.972 55.407 56.400 -0.035 0.000 0.786 102 E CB 2.954 32.631 29.700 -0.038 0.000 1.191 102 E HN 0.641 nan 8.360 nan 0.000 0.411 103 Y N -0.552 119.694 120.300 -0.091 0.000 2.479 103 Y HA 0.409 4.959 4.550 0.001 0.000 0.338 103 Y C 0.394 176.283 175.900 -0.017 0.000 1.055 103 Y CA -0.505 57.584 58.100 -0.017 0.000 1.023 103 Y CB 2.007 40.496 38.460 0.049 0.000 1.287 103 Y HN 0.631 nan 8.280 nan 0.000 0.447 104 G N 2.310 110.862 108.800 -0.413 0.000 2.921 104 G HA2 0.009 3.970 3.960 0.001 0.000 0.213 104 G HA3 0.009 3.970 3.960 0.001 0.000 0.213 104 G C -0.237 174.569 174.900 -0.156 0.000 1.143 104 G CA 0.068 45.031 45.100 -0.229 0.000 0.764 104 G HN 0.391 nan 8.290 nan 0.000 0.542 105 Q N 1.219 120.865 119.800 -0.256 0.000 2.314 105 Q HA 0.586 4.926 4.340 0.001 0.000 0.259 105 Q C 0.420 176.640 176.000 0.367 0.000 0.951 105 Q CA -0.500 55.345 55.803 0.069 0.000 0.909 105 Q CB 1.141 29.934 28.738 0.092 0.000 1.236 105 Q HN 0.102 nan 8.270 nan 0.000 0.444 106 G N 1.715 110.682 108.800 0.277 0.000 2.594 106 G HA2 0.557 4.517 3.960 0.001 0.000 0.243 106 G HA3 0.557 4.517 3.960 0.001 0.000 0.243 106 G C -0.082 174.995 174.900 0.296 0.000 1.229 106 G CA 0.250 45.522 45.100 0.287 0.000 0.843 106 G HN 1.041 nan 8.290 nan 0.000 0.578 107 G N -1.009 107.913 108.800 0.203 0.000 2.340 107 G HA2 0.307 4.268 3.960 0.001 0.000 0.282 107 G HA3 0.307 4.268 3.960 0.001 0.000 0.282 107 G C -1.318 173.444 174.900 -0.230 0.000 1.312 107 G CA -0.919 44.136 45.100 -0.075 0.000 0.942 107 G HN 0.872 nan 8.290 nan 0.000 0.495 108 L N 0.144 121.085 121.223 -0.471 0.000 2.322 108 L HA 0.739 5.079 4.340 0.001 0.000 0.281 108 L C -1.025 175.454 176.870 -0.650 0.000 1.014 108 L CA -0.828 53.789 54.840 -0.372 0.000 0.815 108 L CB 1.695 43.645 42.059 -0.183 0.000 1.247 108 L HN 0.586 nan 8.230 nan 0.000 0.421 109 Y N 0.589 120.776 120.300 -0.189 0.000 2.512 109 Y HA 0.347 4.897 4.550 0.001 0.000 0.348 109 Y C -0.239 175.539 175.900 -0.202 0.000 0.990 109 Y CA -1.091 56.863 58.100 -0.243 0.000 1.033 109 Y CB 1.784 39.907 38.460 -0.562 0.000 1.259 109 Y HN 0.405 nan 8.280 nan 0.000 0.461 110 Q N 3.445 123.278 119.800 0.056 0.000 2.344 110 Q HA 0.218 4.558 4.340 0.001 0.000 0.253 110 Q C -0.619 175.431 176.000 0.083 0.000 1.050 110 Q CA 0.056 55.886 55.803 0.045 0.000 0.912 110 Q CB 1.351 30.117 28.738 0.048 0.000 1.258 110 Q HN 0.728 nan 8.270 nan 0.000 0.443 111 M N 3.059 122.698 119.600 0.064 0.000 2.157 111 M HA 0.236 4.717 4.480 0.001 0.000 0.354 111 M C -0.766 175.615 176.300 0.135 0.000 1.170 111 M CA -0.049 55.345 55.300 0.157 0.000 1.060 111 M CB 0.810 33.504 32.600 0.157 0.000 1.615 111 M HN 0.420 nan 8.290 nan 0.000 0.460 112 E N 4.963 125.269 120.200 0.175 0.000 2.222 112 E HA 0.543 4.894 4.350 0.001 0.000 0.267 112 E C -1.355 175.320 176.600 0.124 0.000 0.884 112 E CA -0.600 55.871 56.400 0.118 0.000 0.764 112 E CB 2.738 32.491 29.700 0.089 0.000 1.169 112 E HN 0.657 nan 8.360 nan 0.000 0.413 113 I N 2.081 122.646 120.570 -0.009 0.000 2.406 113 I HA 0.271 4.441 4.170 0.001 0.000 0.290 113 I C -0.290 175.735 176.117 -0.154 0.000 0.999 113 I CA -0.525 60.682 61.300 -0.154 0.000 1.124 113 I CB 1.685 39.422 38.000 -0.438 0.000 1.289 113 I HN 0.493 nan 8.210 nan 0.000 0.441 114 E N 5.363 125.522 120.200 -0.067 0.000 2.199 114 E HA 0.743 5.094 4.350 0.001 0.000 0.269 114 E C -1.384 175.196 176.600 -0.033 0.000 0.899 114 E CA -0.764 55.638 56.400 0.002 0.000 0.772 114 E CB 2.018 31.834 29.700 0.193 0.000 1.155 114 E HN 0.712 nan 8.360 nan 0.000 0.408 115 A N 3.348 126.156 122.820 -0.020 0.000 2.318 115 A HA 0.611 4.931 4.320 0.001 0.000 0.324 115 A C -1.023 176.582 177.584 0.035 0.000 1.170 115 A CA -0.617 51.439 52.037 0.032 0.000 0.810 115 A CB 0.797 19.826 19.000 0.047 0.000 1.198 115 A HN 0.708 nan 8.150 nan 0.000 0.484 116 c N 1.959 120.583 118.600 0.040 0.000 2.634 116 c HA 0.861 5.432 4.570 0.001 0.000 0.313 116 c C -0.283 173.822 174.090 0.024 0.000 1.198 116 c CA -0.499 55.845 56.329 0.024 0.000 1.605 116 c CB 1.575 44.092 42.510 0.011 0.000 2.196 116 c HN 1.060 nan 8.230 nan 0.000 0.486 117 D N 0.665 121.076 120.400 0.018 0.000 2.989 117 D HA 0.543 5.184 4.640 0.001 0.000 0.284 117 D C 0.775 177.079 176.300 0.008 0.000 1.212 117 D CA -0.124 53.885 54.000 0.015 0.000 1.055 117 D CB 0.248 41.061 40.800 0.021 0.000 1.351 117 D HN 0.422 nan 8.370 nan 0.000 0.611 118 A N -0.678 122.146 122.820 0.007 0.000 1.930 118 A HA -0.039 4.282 4.320 0.001 0.000 0.217 118 A C 1.973 179.560 177.584 0.004 0.000 1.175 118 A CA 2.828 54.867 52.037 0.004 0.000 0.627 118 A CB -1.490 17.512 19.000 0.004 0.000 0.815 118 A HN 0.707 nan 8.150 nan 0.000 0.443 119 T N -4.214 110.344 114.554 0.007 0.000 3.023 119 T HA 0.452 4.802 4.350 0.001 0.000 0.266 119 T C 0.996 175.699 174.700 0.005 0.000 1.093 119 T CA 1.139 63.242 62.100 0.006 0.000 1.129 119 T CB 0.038 68.911 68.868 0.008 0.000 0.899 119 T HN 1.543 nan 8.240 nan 0.000 0.491 120 G N -0.665 108.139 108.800 0.006 0.000 2.350 120 G HA2 0.365 4.326 3.960 0.001 0.000 0.276 120 G HA3 0.365 4.326 3.960 0.001 0.000 0.276 120 G C -1.650 173.255 174.900 0.008 0.000 1.313 120 G CA -0.485 44.618 45.100 0.005 0.000 0.903 120 G HN 0.484 nan 8.290 nan 0.000 0.490 121 c N -0.278 118.326 118.600 0.007 0.000 2.614 121 c HA 0.925 5.495 4.570 0.001 0.000 0.320 121 c C 0.168 174.260 174.090 0.003 0.000 1.200 121 c CA -0.510 55.825 56.329 0.010 0.000 1.700 121 c CB 1.302 43.822 42.510 0.017 0.000 2.275 121 c HN 0.841 nan 8.230 nan 0.000 0.492 122 S N 1.378 117.080 115.700 0.003 0.000 2.557 122 S HA 0.496 4.966 4.470 0.001 0.000 0.291 122 S C -1.026 173.564 174.600 -0.017 0.000 1.116 122 S CA -0.743 57.453 58.200 -0.007 0.000 0.992 122 S CB 1.185 64.384 63.200 -0.002 0.000 1.028 122 S HN 0.618 nan 8.310 nan 0.000 0.484 123 K N 1.793 122.178 120.400 -0.025 0.000 2.123 123 K HA 0.499 4.819 4.320 0.001 0.000 0.259 123 K C 0.361 176.938 176.600 -0.038 0.000 0.960 123 K CA -0.527 55.740 56.287 -0.032 0.000 0.872 123 K CB 1.636 34.109 32.500 -0.045 0.000 1.079 123 K HN 0.786 nan 8.250 nan 0.000 0.440 124 S N 0.909 116.579 115.700 -0.050 0.000 2.600 124 S HA 0.303 4.774 4.470 0.001 0.000 0.265 124 S C 0.289 174.876 174.600 -0.021 0.000 1.325 124 S CA -0.874 57.302 58.200 -0.041 0.000 1.002 124 S CB 0.983 64.146 63.200 -0.061 0.000 0.921 124 S HN 0.628 nan 8.310 nan 0.000 0.554 125 A N 2.305 125.118 122.820 -0.011 0.000 2.445 125 A HA 0.526 4.847 4.320 0.001 0.000 0.242 125 A C -1.975 175.612 177.584 0.005 0.000 1.075 125 A CA -1.402 50.633 52.037 -0.003 0.000 0.777 125 A CB -0.785 18.217 19.000 0.003 0.000 1.013 125 A HN 0.794 nan 8.150 nan 0.000 0.493 126 P HA 0.303 nan 4.420 nan 0.000 0.271 126 P C -0.720 176.593 177.300 0.022 0.000 1.216 126 P CA 0.081 63.193 63.100 0.020 0.000 0.776 126 P CB 1.170 32.879 31.700 0.015 0.000 0.881 127 V N 2.053 121.985 119.914 0.031 0.000 2.841 127 V HA 0.264 4.385 4.120 0.001 0.000 0.310 127 V C -0.456 175.651 176.094 0.023 0.000 1.090 127 V CA -1.031 61.285 62.300 0.028 0.000 0.930 127 V CB 2.008 33.853 31.823 0.036 0.000 1.014 127 V HN 0.601 nan 8.190 nan 0.000 0.425 128 E N 4.719 124.925 120.200 0.010 0.000 2.290 128 E HA 0.339 4.689 4.350 0.001 0.000 0.277 128 E C -0.708 175.891 176.600 -0.001 0.000 1.035 128 E CA -0.169 56.227 56.400 -0.007 0.000 0.873 128 E CB 1.087 30.779 29.700 -0.014 0.000 1.029 128 E HN 0.668 nan 8.360 nan 0.000 0.419 129 I N 3.696 124.249 120.570 -0.029 0.000 2.412 129 I HA 0.261 4.432 4.170 0.001 0.000 0.296 129 I C -0.827 175.303 176.117 0.022 0.000 0.987 129 I CA -0.360 60.942 61.300 0.003 0.000 1.180 129 I CB 1.635 39.595 38.000 -0.066 0.000 1.340 129 I HN 0.427 nan 8.210 nan 0.000 0.455 130 T N 8.194 122.794 114.554 0.077 0.000 2.770 130 T HA 0.529 4.880 4.350 0.001 0.000 0.283 130 T C -0.264 174.524 174.700 0.146 0.000 0.988 130 T CA -0.213 61.936 62.100 0.081 0.000 0.957 130 T CB 0.630 69.523 68.868 0.042 0.000 0.930 130 T HN 0.316 nan 8.240 nan 0.000 0.443 131 I N 3.014 123.683 120.570 0.164 0.000 2.390 131 I HA 0.487 4.657 4.170 0.001 0.000 0.283 131 I C 0.533 176.660 176.117 0.016 0.000 1.016 131 I CA -0.976 60.423 61.300 0.165 0.000 1.151 131 I CB 1.187 39.361 38.000 0.291 0.000 1.293 131 I HN 0.625 nan 8.210 nan 0.000 0.458 132 A N 4.630 127.322 122.820 -0.213 0.000 2.401 132 A HA 0.473 4.794 4.320 0.001 0.000 0.259 132 A C -0.547 176.878 177.584 -0.265 0.000 1.103 132 A CA 0.114 51.725 52.037 -0.710 0.000 0.789 132 A CB 0.481 18.983 19.000 -0.829 0.000 1.035 132 A HN 0.673 nan 8.150 nan 0.000 0.491 133 D N -0.091 120.259 120.400 -0.083 0.000 2.570 133 D HA 0.423 5.064 4.640 0.001 0.000 0.244 133 D C 1.012 177.464 176.300 0.254 0.000 1.178 133 D CA 0.396 54.474 54.000 0.130 0.000 0.881 133 D CB 1.706 42.611 40.800 0.174 0.000 1.453 133 D HN 0.434 nan 8.370 nan 0.000 0.447 134 T N -1.842 112.865 114.554 0.255 0.000 3.194 134 T HA -0.000 4.350 4.350 0.001 0.000 0.251 134 T C 0.728 175.613 174.700 0.308 0.000 1.132 134 T CA 0.372 62.654 62.100 0.304 0.000 1.028 134 T CB -0.177 68.833 68.868 0.236 0.000 0.976 134 T HN 0.375 nan 8.240 nan 0.000 0.535 135 D N 0.932 121.468 120.400 0.225 0.000 2.348 135 D HA 0.168 4.809 4.640 0.001 0.000 0.211 135 D C 1.708 178.084 176.300 0.125 0.000 0.998 135 D CA 0.553 54.657 54.000 0.174 0.000 0.873 135 D CB -0.854 40.023 40.800 0.128 0.000 0.925 135 D HN 0.522 nan 8.370 nan 0.000 0.524 136 G N 0.461 109.349 108.800 0.147 0.000 2.143 136 G HA2 -0.361 3.600 3.960 0.001 0.000 0.249 136 G HA3 -0.361 3.600 3.960 0.001 0.000 0.249 136 G C 1.151 176.029 174.900 -0.038 0.000 0.981 136 G CA 0.922 46.019 45.100 -0.005 0.000 0.665 136 G HN 0.603 nan 8.290 nan 0.000 0.528 137 S N 0.394 116.160 115.700 0.110 0.000 2.440 137 S HA -0.184 4.286 4.470 0.001 0.000 0.238 137 S C 1.866 176.499 174.600 0.055 0.000 1.010 137 S CA 1.719 59.964 58.200 0.075 0.000 0.972 137 S CB -0.595 62.674 63.200 0.115 0.000 0.774 137 S HN 1.122 nan 8.310 nan 0.000 0.501 138 H N 0.589 119.658 119.070 -0.002 0.000 2.539 138 H HA 0.447 5.003 4.556 0.001 0.000 0.267 138 H C 0.312 175.627 175.328 -0.023 0.000 0.982 138 H CA -0.349 55.688 56.048 -0.018 0.000 1.146 138 H CB -0.368 29.401 29.762 0.013 0.000 1.382 138 H HN 0.371 nan 8.280 nan 0.000 0.577 139 L N 1.678 122.651 121.223 -0.417 0.000 2.334 139 L HA 0.343 4.684 4.340 0.001 0.000 0.273 139 L C 0.118 176.879 176.870 -0.181 0.000 1.013 139 L CA -1.176 53.456 54.840 -0.345 0.000 0.816 139 L CB 1.858 43.664 42.059 -0.422 0.000 1.278 139 L HN -0.124 nan 8.230 nan 0.000 0.431 140 K N 1.992 122.312 120.400 -0.134 0.000 2.237 140 K HA 0.306 4.626 4.320 0.001 0.000 0.270 140 K C -2.295 174.240 176.600 -0.109 0.000 1.015 140 K CA -1.786 54.440 56.287 -0.102 0.000 0.949 140 K CB 0.285 32.737 32.500 -0.080 0.000 0.976 140 K HN 0.214 nan 8.250 nan 0.000 0.472 141 P HA -0.122 nan 4.420 nan 0.000 0.263 141 P C -0.169 177.067 177.300 -0.106 0.000 1.168 141 P CA -0.145 62.897 63.100 -0.097 0.000 0.759 141 P CB 0.266 31.919 31.700 -0.078 0.000 0.782 142 L N 4.221 125.370 121.223 -0.124 0.000 2.490 142 L HA 0.068 4.409 4.340 0.001 0.000 0.274 142 L C 0.197 176.994 176.870 -0.122 0.000 1.201 142 L CA 1.004 55.760 54.840 -0.139 0.000 0.869 142 L CB -0.066 41.892 42.059 -0.169 0.000 1.123 142 L HN 0.320 nan 8.230 nan 0.000 0.484 143 T N 6.691 121.172 114.554 -0.121 0.000 2.761 143 T HA 0.324 4.674 4.350 0.001 0.000 0.296 143 T C 0.291 174.920 174.700 -0.119 0.000 0.934 143 T CA -0.511 61.526 62.100 -0.105 0.000 1.091 143 T CB 0.272 69.084 68.868 -0.094 0.000 0.896 143 T HN 0.380 nan 8.240 nan 0.000 0.515 144 M N 3.347 122.884 119.600 -0.105 0.000 2.288 144 M HA 0.345 4.826 4.480 0.001 0.000 0.334 144 M C 0.528 176.768 176.300 -0.101 0.000 1.150 144 M CA -0.839 54.395 55.300 -0.111 0.000 1.118 144 M CB 0.382 32.927 32.600 -0.093 0.000 1.501 144 M HN 0.452 nan 8.290 nan 0.000 0.462 145 N N 1.821 120.452 118.700 -0.115 0.000 2.752 145 N HA 0.366 5.107 4.740 0.001 0.000 0.260 145 N C -2.030 173.420 175.510 -0.101 0.000 1.562 145 N CA -0.138 52.852 53.050 -0.100 0.000 0.788 145 N CB 0.538 38.961 38.487 -0.106 0.000 1.192 145 N HN 0.357 nan 8.380 nan 0.000 0.503 146 V N 0.833 120.704 119.914 -0.072 0.000 2.481 146 V HA 0.257 4.378 4.120 0.001 0.000 0.286 146 V C 0.449 176.530 176.094 -0.022 0.000 1.042 146 V CA -0.982 61.289 62.300 -0.048 0.000 0.928 146 V CB 1.455 33.260 31.823 -0.030 0.000 0.986 146 V HN 0.424 nan 8.190 nan 0.000 0.462 147 D N 7.047 127.450 120.400 0.004 0.000 2.451 147 D HA 0.021 4.662 4.640 0.001 0.000 0.254 147 D C -1.275 175.035 176.300 0.017 0.000 1.204 147 D CA -1.283 52.730 54.000 0.021 0.000 0.896 147 D CB 1.630 42.465 40.800 0.058 0.000 1.136 147 D HN 0.308 nan 8.370 nan 0.000 0.499 148 P HA -0.106 nan 4.420 nan 0.000 0.234 148 P C 0.901 178.202 177.300 0.001 0.000 1.167 148 P CA 0.412 63.508 63.100 -0.006 0.000 0.763 148 P CB 0.264 31.955 31.700 -0.015 0.000 0.835 149 N N 0.538 119.250 118.700 0.020 0.000 2.289 149 N HA -0.091 4.649 4.740 0.001 0.000 0.184 149 N C 0.558 176.098 175.510 0.051 0.000 1.016 149 N CA 0.420 53.490 53.050 0.034 0.000 0.872 149 N CB -0.576 37.942 38.487 0.051 0.000 0.973 149 N HN 0.016 nan 8.380 nan 0.000 0.433 150 N N 1.778 120.510 118.700 0.055 0.000 2.427 150 N HA -0.014 4.726 4.740 0.001 0.000 0.269 150 N C -0.358 175.160 175.510 0.014 0.000 1.235 150 N CA 0.455 53.546 53.050 0.069 0.000 0.934 150 N CB 0.658 39.187 38.487 0.069 0.000 1.121 150 N HN 0.322 nan 8.380 nan 0.000 0.480 151 K N 0.732 121.136 120.400 0.007 0.000 2.118 151 K HA 0.264 4.585 4.320 0.001 0.000 0.240 151 K C 0.213 176.595 176.600 -0.363 0.000 1.035 151 K CA -0.313 55.851 56.287 -0.204 0.000 0.899 151 K CB 0.618 32.925 32.500 -0.323 0.000 1.085 151 K HN 0.310 nan 8.250 nan 0.000 0.498 152 S N 0.428 115.823 115.700 -0.508 0.000 2.489 152 S HA 0.424 4.895 4.470 0.001 0.000 0.291 152 S C -1.208 172.978 174.600 -0.690 0.000 1.151 152 S CA -0.624 57.323 58.200 -0.423 0.000 1.082 152 S CB 0.281 63.343 63.200 -0.228 0.000 1.019 152 S HN 0.321 nan 8.310 nan 0.000 0.492 153 Y N 1.007 121.233 120.300 -0.123 0.000 2.576 153 Y HA 0.448 4.998 4.550 0.001 0.000 0.346 153 Y C 0.545 176.427 175.900 -0.030 0.000 1.018 153 Y CA -1.025 57.023 58.100 -0.087 0.000 1.050 153 Y CB 1.347 39.703 38.460 -0.175 0.000 1.280 153 Y HN 0.486 nan 8.280 nan 0.000 0.474 154 N N 0.906 119.722 118.700 0.193 0.000 2.610 154 N HA 0.129 4.870 4.740 0.001 0.000 0.309 154 N C -1.099 174.502 175.510 0.152 0.000 1.536 154 N CA -0.047 53.081 53.050 0.131 0.000 0.954 154 N CB 0.288 38.824 38.487 0.083 0.000 1.310 154 N HN 0.612 nan 8.380 nan 0.000 0.502 155 T N 0.368 115.050 114.554 0.213 0.000 2.888 155 T HA -0.043 4.307 4.350 0.001 0.000 0.301 155 T C 0.173 174.952 174.700 0.131 0.000 1.001 155 T CA -0.086 62.129 62.100 0.191 0.000 1.147 155 T CB 0.714 69.756 68.868 0.289 0.000 0.931 155 T HN 0.165 nan 8.240 nan 0.000 0.541 156 D N 4.399 124.855 120.400 0.092 0.000 2.662 156 D HA -0.053 4.588 4.640 0.001 0.000 0.233 156 D C -0.943 175.404 176.300 0.078 0.000 1.129 156 D CA -1.486 52.559 54.000 0.074 0.000 0.851 156 D CB 1.007 41.842 40.800 0.058 0.000 1.152 156 D HN 0.241 nan 8.370 nan 0.000 0.507 157 P HA -0.129 nan 4.420 nan 0.000 0.228 157 P C 1.105 178.456 177.300 0.084 0.000 1.151 157 P CA 0.650 63.798 63.100 0.080 0.000 0.770 157 P CB 0.081 31.820 31.700 0.065 0.000 0.786 158 S N -0.976 114.771 115.700 0.078 0.000 2.489 158 S HA 0.005 4.476 4.470 0.001 0.000 0.228 158 S C 0.994 175.648 174.600 0.089 0.000 0.995 158 S CA -0.050 58.204 58.200 0.090 0.000 0.934 158 S CB -1.000 62.246 63.200 0.076 0.000 0.771 158 S HN 0.053 nan 8.310 nan 0.000 0.522 159 I N 2.828 123.437 120.570 0.066 0.000 2.416 159 I HA 0.196 4.366 4.170 0.001 0.000 0.288 159 I C -0.287 175.848 176.117 0.029 0.000 1.051 159 I CA -0.748 60.574 61.300 0.037 0.000 1.375 159 I CB 1.417 39.425 38.000 0.013 0.000 1.407 159 I HN -0.028 nan 8.210 nan 0.000 0.516 160 V N 8.098 128.001 119.914 -0.017 0.000 2.529 160 V HA 0.073 4.193 4.120 0.001 0.000 0.292 160 V C 0.461 176.558 176.094 0.005 0.000 1.028 160 V CA 0.259 62.529 62.300 -0.050 0.000 1.074 160 V CB 0.484 32.113 31.823 -0.324 0.000 0.958 160 V HN 0.567 nan 8.190 nan 0.000 0.481 161 M N 5.329 124.973 119.600 0.074 0.000 1.987 161 M HA 0.416 4.897 4.480 0.001 0.000 0.298 161 M C 0.200 176.589 176.300 0.148 0.000 0.892 161 M CA -0.082 55.249 55.300 0.052 0.000 0.885 161 M CB 1.224 33.807 32.600 -0.029 0.000 1.469 161 M HN 0.713 nan 8.290 nan 0.000 0.389 162 G N 0.881 109.791 108.800 0.183 0.000 2.441 162 G HA2 0.767 4.728 3.960 0.001 0.000 0.334 162 G HA3 0.767 4.728 3.960 0.001 0.000 0.334 162 G C -0.941 174.064 174.900 0.177 0.000 1.161 162 G CA -0.220 44.989 45.100 0.180 0.000 0.935 162 G HN 0.472 nan 8.290 nan 0.000 0.488 163 T N -1.042 113.572 114.554 0.100 0.000 2.821 163 T HA 0.529 4.880 4.350 0.001 0.000 0.306 163 T C -1.886 172.834 174.700 0.033 0.000 1.313 163 T CA -0.465 61.717 62.100 0.137 0.000 1.012 163 T CB 1.117 70.049 68.868 0.106 0.000 1.298 163 T HN 0.301 nan 8.240 nan 0.000 0.502 164 Y N 1.632 121.955 120.300 0.038 0.000 2.328 164 Y HA 0.629 5.179 4.550 0.001 0.000 0.337 164 Y C -0.385 175.385 175.900 -0.217 0.000 1.008 164 Y CA -0.804 57.268 58.100 -0.047 0.000 1.129 164 Y CB 1.133 39.622 38.460 0.048 0.000 1.185 164 Y HN 0.547 nan 8.280 nan 0.000 0.476 165 F N 5.128 124.965 119.950 -0.188 0.000 2.415 165 F HA 0.610 5.138 4.527 0.001 0.000 0.348 165 F C -0.541 174.907 175.800 -0.587 0.000 1.119 165 F CA -1.149 56.665 58.000 -0.310 0.000 1.069 165 F CB 0.710 39.645 39.000 -0.108 0.000 1.124 165 F HN 0.236 nan 8.300 nan 0.000 0.472 166 V N 3.522 122.642 119.914 -1.323 0.000 2.472 166 V HA 0.406 4.526 4.120 0.001 0.000 0.290 166 V C 0.981 176.188 176.094 -1.479 0.000 1.037 166 V CA -0.534 60.822 62.300 -1.572 0.000 0.908 166 V CB 1.587 32.175 31.823 -2.059 0.000 0.985 166 V HN 0.996 nan 8.190 nan 0.000 0.454 167 E N 3.463 122.991 120.200 -1.121 0.000 2.097 167 E HA -0.216 4.135 4.350 0.001 0.000 0.196 167 E C 1.451 177.949 176.600 -0.170 0.000 1.000 167 E CA 2.617 58.798 56.400 -0.364 0.000 0.804 167 E CB -0.114 29.633 29.700 0.078 0.000 0.740 167 E HN 1.003 nan 8.360 nan 0.000 0.454 168 W N -0.696 120.577 121.300 -0.045 0.000 3.180 168 W HA 0.362 5.022 4.660 0.001 0.000 0.254 168 W C 1.522 178.022 176.519 -0.033 0.000 1.318 168 W CA 0.132 57.545 57.345 0.112 0.000 1.608 168 W CB -0.607 28.930 29.460 0.127 0.000 1.124 168 W HN -0.019 nan 8.180 nan 0.000 0.694 169 G N 2.475 110.930 108.800 -0.575 0.000 2.559 169 G HA2 -0.211 3.749 3.960 0.001 0.000 0.216 169 G HA3 -0.211 3.749 3.960 0.001 0.000 0.216 169 G C 1.352 176.109 174.900 -0.239 0.000 1.126 169 G CA 1.063 45.856 45.100 -0.511 0.000 0.778 169 G HN 0.635 nan 8.290 nan 0.000 0.543 170 I N -3.535 116.901 120.570 -0.222 0.000 3.291 170 I HA 0.221 4.391 4.170 0.001 0.000 0.279 170 I C 1.653 177.681 176.117 -0.149 0.000 1.294 170 I CA -0.070 61.144 61.300 -0.143 0.000 1.428 170 I CB -0.166 37.787 38.000 -0.079 0.000 1.070 170 I HN 0.011 nan 8.210 nan 0.000 0.478 171 Y N 1.914 122.288 120.300 0.125 0.000 3.352 171 Y HA 0.422 4.973 4.550 0.001 0.000 0.249 171 Y C 2.621 178.597 175.900 0.126 0.000 0.874 171 Y CA 0.951 59.138 58.100 0.146 0.000 1.090 171 Y CB -1.297 37.256 38.460 0.155 0.000 1.167 171 Y HN -0.106 nan 8.280 nan 0.000 0.495 172 G N 0.013 109.015 108.800 0.336 0.000 2.469 172 G HA2 -0.257 3.703 3.960 0.001 0.000 0.219 172 G HA3 -0.257 3.703 3.960 0.001 0.000 0.219 172 G C 1.550 176.629 174.900 0.299 0.000 1.150 172 G CA 1.102 46.413 45.100 0.350 0.000 0.763 172 G HN 0.335 nan 8.290 nan 0.000 0.561 173 R N -0.414 120.048 120.500 -0.064 0.000 2.237 173 R HA 0.037 4.377 4.340 0.001 0.000 0.219 173 R C 1.057 177.408 176.300 0.084 0.000 1.080 173 R CA 0.630 56.646 56.100 -0.140 0.000 0.995 173 R CB -0.115 29.891 30.300 -0.491 0.000 0.875 173 R HN 0.288 nan 8.270 nan 0.000 0.462 174 D N -1.289 119.171 120.400 0.100 0.000 2.751 174 D HA -0.266 4.374 4.640 0.001 0.000 0.233 174 D C -1.460 174.899 176.300 0.099 0.000 1.149 174 D CA 0.845 54.913 54.000 0.114 0.000 0.682 174 D CB -1.062 39.822 40.800 0.141 0.000 1.068 174 D HN 0.356 nan 8.370 nan 0.000 0.429 175 Y N 0.368 120.621 120.300 -0.079 0.000 2.328 175 Y HA 0.468 5.019 4.550 0.001 0.000 0.333 175 Y C 0.341 176.211 175.900 -0.051 0.000 0.958 175 Y CA -0.031 58.015 58.100 -0.090 0.000 1.167 175 Y CB 0.983 39.334 38.460 -0.182 0.000 1.151 175 Y HN 0.067 nan 8.280 nan 0.000 0.470 176 T N 0.555 114.974 114.554 -0.226 0.000 2.949 176 T HA 0.306 4.657 4.350 0.001 0.000 0.287 176 T C 0.921 175.523 174.700 -0.164 0.000 1.034 176 T CA -0.737 61.276 62.100 -0.146 0.000 1.018 176 T CB 1.318 69.956 68.868 -0.382 0.000 1.135 176 T HN 0.347 nan 8.240 nan 0.000 0.532 177 V N 1.806 121.525 119.914 -0.326 0.000 2.380 177 V HA -0.193 3.928 4.120 0.001 0.000 0.251 177 V C 2.585 178.456 176.094 -0.371 0.000 1.063 177 V CA 2.417 64.398 62.300 -0.532 0.000 1.055 177 V CB -0.913 30.540 31.823 -0.616 0.000 0.657 177 V HN 1.059 nan 8.190 nan 0.000 0.455 178 D N -0.423 119.765 120.400 -0.354 0.000 2.350 178 D HA -0.162 4.479 4.640 0.001 0.000 0.216 178 D C 1.443 177.588 176.300 -0.258 0.000 0.968 178 D CA 0.734 54.569 54.000 -0.276 0.000 0.894 178 D CB -0.510 40.137 40.800 -0.255 0.000 0.909 178 D HN 0.406 nan 8.370 nan 0.000 0.520 179 N N 0.038 118.520 118.700 -0.363 0.000 2.446 179 N HA 0.036 4.776 4.740 0.001 0.000 0.179 179 N C 0.732 176.107 175.510 -0.224 0.000 1.054 179 N CA 0.136 52.929 53.050 -0.429 0.000 0.905 179 N CB 0.028 37.943 38.487 -0.954 0.000 0.973 179 N HN 0.331 nan 8.380 nan 0.000 0.448 180 M N 2.369 121.906 119.600 -0.105 0.000 2.238 180 M HA 0.075 4.555 4.480 0.001 0.000 0.350 180 M C -1.897 174.429 176.300 0.043 0.000 1.321 180 M CA -1.116 54.243 55.300 0.098 0.000 1.097 180 M CB 0.625 33.278 32.600 0.088 0.000 1.713 180 M HN -0.202 nan 8.290 nan 0.000 0.455 181 P HA 0.001 nan 4.420 nan 0.000 0.235 181 P C 0.765 178.097 177.300 0.054 0.000 1.765 181 P CA 0.168 63.305 63.100 0.061 0.000 1.034 181 P CB -0.141 31.614 31.700 0.093 0.000 1.984 182 V N 1.744 121.669 119.914 0.018 0.000 2.469 182 V HA -0.204 3.916 4.120 0.001 0.000 0.251 182 V C 1.505 177.614 176.094 0.025 0.000 1.064 182 V CA 2.046 64.352 62.300 0.010 0.000 1.066 182 V CB -0.592 31.210 31.823 -0.034 0.000 0.667 182 V HN 0.224 nan 8.190 nan 0.000 0.461 183 D N 0.261 120.671 120.400 0.018 0.000 2.371 183 D HA -0.046 4.595 4.640 0.001 0.000 0.221 183 D C 1.037 177.367 176.300 0.051 0.000 0.986 183 D CA 0.624 54.637 54.000 0.022 0.000 0.899 183 D CB -0.172 40.627 40.800 -0.001 0.000 0.902 183 D HN 0.496 nan 8.370 nan 0.000 0.530 184 N N 0.003 118.747 118.700 0.073 0.000 2.238 184 N HA 0.175 4.915 4.740 0.001 0.000 0.222 184 N C -0.253 175.447 175.510 0.317 0.000 1.133 184 N CA 0.073 53.203 53.050 0.133 0.000 0.854 184 N CB 1.065 39.581 38.487 0.049 0.000 1.041 184 N HN 0.161 nan 8.380 nan 0.000 0.510 185 L N -0.639 120.696 121.223 0.188 0.000 2.401 185 L HA 0.403 4.743 4.340 0.001 0.000 0.266 185 L C 1.221 178.162 176.870 0.118 0.000 0.991 185 L CA -0.448 54.489 54.840 0.161 0.000 0.818 185 L CB 2.302 44.434 42.059 0.121 0.000 1.321 185 L HN -0.054 nan 8.230 nan 0.000 0.413 186 T N -3.593 111.043 114.554 0.137 0.000 3.034 186 T HA 0.193 4.543 4.350 0.001 0.000 0.248 186 T C 0.319 174.974 174.700 -0.075 0.000 1.040 186 T CA 0.337 62.484 62.100 0.079 0.000 1.107 186 T CB 0.020 69.003 68.868 0.191 0.000 0.932 186 T HN 0.505 nan 8.240 nan 0.000 0.474 187 H N -0.121 118.981 119.070 0.053 0.000 2.689 187 H HA 0.650 5.207 4.556 0.001 0.000 0.346 187 H C -1.184 174.148 175.328 0.007 0.000 1.037 187 H CA -0.812 55.264 56.048 0.046 0.000 1.234 187 H CB 1.556 31.359 29.762 0.068 0.000 1.572 187 H HN 0.197 nan 8.280 nan 0.000 0.524 188 I N 4.456 125.081 120.570 0.092 0.000 2.382 188 I HA 0.222 4.393 4.170 0.001 0.000 0.286 188 I C -0.640 175.499 176.117 0.036 0.000 1.002 188 I CA -0.473 60.859 61.300 0.053 0.000 1.135 188 I CB 1.180 39.214 38.000 0.056 0.000 1.288 188 I HN 0.302 nan 8.210 nan 0.000 0.448 189 L N 6.594 127.729 121.223 -0.146 0.000 2.264 189 L HA 0.340 4.680 4.340 0.001 0.000 0.289 189 L C -0.772 176.072 176.870 -0.042 0.000 1.044 189 L CA -0.714 53.979 54.840 -0.246 0.000 0.807 189 L CB 0.779 42.288 42.059 -0.917 0.000 1.192 189 L HN 0.506 nan 8.230 nan 0.000 0.425 190 Y N 2.613 122.938 120.300 0.041 0.000 2.477 190 Y HA 0.499 5.049 4.550 0.001 0.000 0.349 190 Y C 0.622 176.545 175.900 0.039 0.000 0.977 190 Y CA -0.465 57.721 58.100 0.145 0.000 1.214 190 Y CB 1.235 39.900 38.460 0.340 0.000 1.124 190 Y HN 0.565 nan 8.280 nan 0.000 0.521 191 G N 5.666 114.180 108.800 -0.477 0.000 2.343 191 G HA2 0.531 4.492 3.960 0.001 0.000 0.319 191 G HA3 0.531 4.492 3.960 0.001 0.000 0.319 191 G C -1.736 172.919 174.900 -0.409 0.000 1.126 191 G CA -0.316 44.230 45.100 -0.923 0.000 0.889 191 G HN 0.496 nan 8.290 nan 0.000 0.457 192 F N 0.925 121.116 119.950 0.400 0.000 2.588 192 F HA 0.449 4.976 4.527 0.001 0.000 0.310 192 F C -0.208 175.829 175.800 0.394 0.000 1.082 192 F CA -1.142 57.109 58.000 0.418 0.000 0.929 192 F CB 2.208 41.462 39.000 0.423 0.000 1.254 192 F HN 0.153 nan 8.300 nan 0.000 0.455 193 I N 4.785 125.658 120.570 0.504 0.000 2.312 193 I HA 0.266 4.436 4.170 0.001 0.000 0.291 193 I C -2.273 173.944 176.117 0.167 0.000 1.031 193 I CA -2.748 58.715 61.300 0.272 0.000 1.293 193 I CB 0.401 38.426 38.000 0.041 0.000 1.403 193 I HN 0.202 nan 8.210 nan 0.000 0.484 194 P HA 0.410 nan 4.420 nan 0.000 0.276 194 P C -0.548 176.677 177.300 -0.126 0.000 1.252 194 P CA -0.422 62.638 63.100 -0.067 0.000 0.802 194 P CB 1.452 33.032 31.700 -0.200 0.000 1.035 195 I N 0.673 121.125 120.570 -0.196 0.000 2.378 195 I HA 0.236 4.406 4.170 0.001 0.000 0.291 195 I C 0.325 176.315 176.117 -0.211 0.000 0.992 195 I CA -0.865 60.328 61.300 -0.178 0.000 1.154 195 I CB 1.179 39.005 38.000 -0.290 0.000 1.315 195 I HN 0.223 nan 8.210 nan 0.000 0.448 196 c N 5.249 123.740 118.600 -0.182 0.000 2.657 196 c HA 0.618 5.189 4.570 0.001 0.000 0.420 196 c C 1.150 175.039 174.090 -0.335 0.000 1.323 196 c CA 0.630 56.824 56.329 -0.224 0.000 1.894 196 c CB -0.877 41.529 42.510 -0.174 0.000 2.681 196 c HN 1.108 nan 8.230 nan 0.000 0.613 197 G N 3.926 112.535 108.800 -0.319 0.000 2.288 197 G HA2 0.126 4.087 3.960 0.001 0.000 0.227 197 G HA3 0.126 4.087 3.960 0.001 0.000 0.227 197 G C -3.200 171.579 174.900 -0.201 0.000 1.339 197 G CA -0.816 44.057 45.100 -0.379 0.000 1.057 197 G HN 0.464 nan 8.290 nan 0.000 0.470 198 P HA 0.282 nan 4.420 nan 0.000 0.266 198 P C -0.738 176.537 177.300 -0.042 0.000 1.215 198 P CA 0.230 63.305 63.100 -0.043 0.000 0.763 198 P CB 0.445 32.142 31.700 -0.005 0.000 0.806 199 N N 2.441 121.163 118.700 0.037 0.000 2.527 199 N HA -0.002 4.738 4.740 0.001 0.000 0.279 199 N C 0.672 176.275 175.510 0.154 0.000 1.571 199 N CA -0.205 52.880 53.050 0.057 0.000 0.858 199 N CB 0.570 39.068 38.487 0.018 0.000 1.422 199 N HN 0.305 nan 8.380 nan 0.000 0.491 200 E N 0.424 120.644 120.200 0.033 0.000 2.160 200 E HA -0.041 4.309 4.350 0.001 0.000 0.195 200 E C 1.288 177.815 176.600 -0.122 0.000 0.991 200 E CA 0.879 57.219 56.400 -0.099 0.000 0.810 200 E CB 0.118 29.745 29.700 -0.121 0.000 0.742 200 E HN 0.175 nan 8.360 nan 0.000 0.466 201 S N 0.532 116.168 115.700 -0.106 0.000 2.419 201 S HA -0.096 4.374 4.470 0.001 0.000 0.233 201 S C 2.153 176.691 174.600 -0.104 0.000 1.016 201 S CA 0.709 58.817 58.200 -0.155 0.000 0.974 201 S CB -0.108 62.944 63.200 -0.247 0.000 0.786 201 S HN 0.082 nan 8.310 nan 0.000 0.492 202 V N 1.937 121.845 119.914 -0.009 0.000 2.490 202 V HA -0.189 3.932 4.120 0.001 0.000 0.250 202 V C 2.124 178.260 176.094 0.070 0.000 1.061 202 V CA 1.484 63.830 62.300 0.077 0.000 1.064 202 V CB -0.569 31.384 31.823 0.218 0.000 0.670 202 V HN 0.474 nan 8.190 nan 0.000 0.461 203 K N 1.006 121.399 120.400 -0.012 0.000 2.211 203 K HA -0.159 4.162 4.320 0.001 0.000 0.204 203 K C 2.300 178.868 176.600 -0.054 0.000 1.047 203 K CA 1.616 57.852 56.287 -0.085 0.000 0.935 203 K CB -0.309 32.029 32.500 -0.269 0.000 0.728 203 K HN 0.678 nan 8.250 nan 0.000 0.452 204 S N 0.229 115.899 115.700 -0.050 0.000 2.453 204 S HA -0.063 4.408 4.470 0.001 0.000 0.231 204 S C 2.027 176.621 174.600 -0.010 0.000 1.005 204 S CA 0.662 58.846 58.200 -0.027 0.000 0.949 204 S CB -0.324 62.864 63.200 -0.020 0.000 0.774 204 S HN -0.003 nan 8.310 nan 0.000 0.510 205 V N 1.817 121.721 119.914 -0.017 0.000 2.270 205 V HA 0.226 4.346 4.120 0.001 0.000 0.245 205 V C 1.839 177.909 176.094 -0.041 0.000 1.043 205 V CA 1.378 63.654 62.300 -0.041 0.000 1.014 205 V CB -1.926 29.853 31.823 -0.073 0.000 0.645 205 V HN 0.989 nan 8.190 nan 0.000 0.447 206 G N -1.500 107.286 108.800 -0.023 0.000 2.660 206 G HA2 0.340 4.300 3.960 0.001 0.000 0.247 206 G HA3 0.340 4.300 3.960 0.001 0.000 0.247 206 G C 0.596 175.475 174.900 -0.035 0.000 1.328 206 G CA -0.441 44.647 45.100 -0.020 0.000 0.884 206 G HN 1.702 nan 8.290 nan 0.000 0.531 207 G N -0.786 107.992 108.800 -0.035 0.000 2.225 207 G HA2 -0.003 3.958 3.960 0.001 0.000 0.267 207 G HA3 -0.003 3.958 3.960 0.001 0.000 0.267 207 G C 0.833 175.708 174.900 -0.043 0.000 1.024 207 G CA 1.733 46.800 45.100 -0.056 0.000 0.784 207 G HN 2.677 nan 8.290 nan 0.000 0.507 208 N N -1.493 117.205 118.700 -0.003 0.000 2.776 208 N HA -0.195 4.546 4.740 0.001 0.000 0.250 208 N C 1.428 176.976 175.510 0.064 0.000 1.112 208 N CA 2.100 55.169 53.050 0.032 0.000 0.733 208 N CB -1.355 37.138 38.487 0.010 0.000 1.097 208 N HN 0.883 nan 8.380 nan 0.000 0.558 209 S N -1.459 114.280 115.700 0.066 0.000 2.382 209 S HA -0.082 4.389 4.470 0.001 0.000 0.228 209 S C 1.602 176.354 174.600 0.253 0.000 1.027 209 S CA 1.389 59.655 58.200 0.111 0.000 0.991 209 S CB -0.278 62.950 63.200 0.046 0.000 0.823 209 S HN 0.467 nan 8.310 nan 0.000 0.469 210 F N 2.560 122.550 119.950 0.068 0.000 2.102 210 F HA -0.075 4.453 4.527 0.001 0.000 0.298 210 F C 2.107 177.932 175.800 0.041 0.000 1.105 210 F CA 1.917 59.941 58.000 0.040 0.000 1.239 210 F CB -0.659 38.341 39.000 -0.001 0.000 0.991 210 F HN 0.322 nan 8.300 nan 0.000 0.474 211 N N 0.505 119.275 118.700 0.117 0.000 2.069 211 N HA -0.229 4.511 4.740 0.001 0.000 0.191 211 N C 1.885 177.381 175.510 -0.023 0.000 1.031 211 N CA 1.809 54.872 53.050 0.021 0.000 0.852 211 N CB -0.489 38.042 38.487 0.074 0.000 1.018 211 N HN 0.347 nan 8.380 nan 0.000 0.423 212 A N 0.156 123.008 122.820 0.053 0.000 1.908 212 A HA -0.132 4.189 4.320 0.001 0.000 0.218 212 A C 2.139 179.772 177.584 0.083 0.000 1.181 212 A CA 1.418 53.517 52.037 0.104 0.000 0.627 212 A CB -0.946 18.157 19.000 0.172 0.000 0.818 212 A HN 0.418 nan 8.150 nan 0.000 0.445 213 L N -0.609 120.611 121.223 -0.004 0.000 2.056 213 L HA -0.154 4.186 4.340 0.001 0.000 0.207 213 L C 2.409 179.131 176.870 -0.247 0.000 1.078 213 L CA 2.077 56.783 54.840 -0.224 0.000 0.749 213 L CB -0.735 41.070 42.059 -0.424 0.000 0.901 213 L HN 0.350 nan 8.230 nan 0.000 0.433 214 Q N -0.712 118.883 119.800 -0.341 0.000 2.096 214 Q HA -0.174 4.166 4.340 0.001 0.000 0.204 214 Q C 2.173 178.100 176.000 -0.122 0.000 0.982 214 Q CA 2.258 57.890 55.803 -0.285 0.000 0.850 214 Q CB -1.122 27.427 28.738 -0.314 0.000 0.901 214 Q HN 0.518 nan 8.270 nan 0.000 0.422 215 T N 1.475 115.990 114.554 -0.065 0.000 2.708 215 T HA -0.118 4.232 4.350 0.001 0.000 0.266 215 T C 1.855 176.577 174.700 0.037 0.000 1.037 215 T CA 1.612 63.712 62.100 0.001 0.000 1.146 215 T CB -0.340 68.546 68.868 0.029 0.000 0.865 215 T HN 0.447 nan 8.240 nan 0.000 0.435 216 A N 0.255 123.104 122.820 0.050 0.000 1.972 216 A HA -0.112 4.208 4.320 0.001 0.000 0.219 216 A C 2.453 180.089 177.584 0.086 0.000 1.169 216 A CA 1.361 53.464 52.037 0.111 0.000 0.635 216 A CB -1.033 18.037 19.000 0.117 0.000 0.810 216 A HN 0.639 nan 8.150 nan 0.000 0.446 217 c N -0.535 118.064 118.600 -0.002 0.000 2.697 217 c HA 0.208 4.778 4.570 0.001 0.000 0.267 217 c C 1.131 175.217 174.090 -0.007 0.000 1.278 217 c CA -0.716 55.598 56.329 -0.026 0.000 1.708 217 c CB -1.311 41.135 42.510 -0.106 0.000 1.860 217 c HN 0.386 nan 8.230 nan 0.000 0.589 218 R N 1.012 121.517 120.500 0.009 0.000 2.351 218 R HA 0.367 4.708 4.340 0.001 0.000 0.318 218 R C 1.245 177.569 176.300 0.040 0.000 1.055 218 R CA 1.010 57.119 56.100 0.015 0.000 0.968 218 R CB -0.060 30.249 30.300 0.016 0.000 0.974 218 R HN 0.539 nan 8.270 nan 0.000 0.439 219 G N 1.540 110.359 108.800 0.032 0.000 2.157 219 G HA2 -0.241 3.720 3.960 0.001 0.000 0.239 219 G HA3 -0.241 3.720 3.960 0.001 0.000 0.239 219 G C -0.097 174.837 174.900 0.057 0.000 0.982 219 G CA -0.188 44.939 45.100 0.044 0.000 0.650 219 G HN 0.446 nan 8.290 nan 0.000 0.527 220 V N 1.190 121.132 119.914 0.046 0.000 2.540 220 V HA 0.513 4.633 4.120 0.001 0.000 0.302 220 V C -0.013 176.083 176.094 0.003 0.000 1.035 220 V CA -1.516 60.813 62.300 0.048 0.000 0.873 220 V CB 1.756 33.616 31.823 0.061 0.000 0.992 220 V HN 0.266 nan 8.190 nan 0.000 0.428 221 N N 2.318 121.023 118.700 0.008 0.000 2.508 221 N HA 0.152 4.893 4.740 0.001 0.000 0.264 221 N C -0.276 175.197 175.510 -0.061 0.000 1.216 221 N CA -0.314 52.728 53.050 -0.013 0.000 0.943 221 N CB 0.452 38.950 38.487 0.018 0.000 1.113 221 N HN 0.612 nan 8.380 nan 0.000 0.447 222 D N 0.617 120.935 120.400 -0.136 0.000 2.506 222 D HA -0.077 4.563 4.640 0.001 0.000 0.234 222 D C 0.381 176.515 176.300 -0.277 0.000 1.143 222 D CA 0.858 54.630 54.000 -0.380 0.000 0.871 222 D CB 0.049 40.495 40.800 -0.590 0.000 1.190 222 D HN 0.525 nan 8.370 nan 0.000 0.459 223 Y N -1.874 118.431 120.300 0.009 0.000 4.929 223 Y HA -0.274 4.276 4.550 0.001 0.000 0.252 223 Y C 0.498 176.476 175.900 0.130 0.000 0.950 223 Y CA 0.499 58.643 58.100 0.072 0.000 1.935 223 Y CB -1.763 36.746 38.460 0.081 0.000 1.440 223 Y HN 0.401 nan 8.280 nan 0.000 0.567 224 E N 0.895 121.163 120.200 0.113 0.000 2.242 224 E HA 0.537 4.887 4.350 0.001 0.000 0.275 224 E C 0.122 176.722 176.600 0.000 0.000 1.002 224 E CA -0.623 55.818 56.400 0.070 0.000 0.841 224 E CB 2.111 31.829 29.700 0.029 0.000 1.109 224 E HN 0.155 nan 8.360 nan 0.000 0.394 225 V N 0.176 120.051 119.914 -0.064 0.000 2.881 225 V HA 0.513 4.633 4.120 0.001 0.000 0.303 225 V C 0.228 176.138 176.094 -0.307 0.000 1.070 225 V CA -0.512 61.677 62.300 -0.184 0.000 1.074 225 V CB 0.797 32.405 31.823 -0.358 0.000 1.012 225 V HN 0.483 nan 8.190 nan 0.000 0.482 226 V N 1.273 120.998 119.914 -0.314 0.000 3.181 226 V HA 0.641 4.761 4.120 0.001 0.000 0.308 226 V C -0.326 175.698 176.094 -0.117 0.000 1.214 226 V CA -1.128 60.911 62.300 -0.436 0.000 1.053 226 V CB 1.901 33.611 31.823 -0.188 0.000 1.069 226 V HN 0.874 nan 8.190 nan 0.000 0.441 227 I N 1.927 122.571 120.570 0.122 0.000 2.371 227 I HA 0.317 4.488 4.170 0.001 0.000 0.290 227 I C 1.405 177.724 176.117 0.336 0.000 1.028 227 I CA -0.389 61.130 61.300 0.365 0.000 1.345 227 I CB 0.898 39.209 38.000 0.518 0.000 1.407 227 I HN 0.827 nan 8.210 nan 0.000 0.501 228 H N 4.436 123.646 119.070 0.233 0.000 2.326 228 H HA -0.045 4.512 4.556 0.001 0.000 0.301 228 H C 0.285 175.730 175.328 0.196 0.000 1.081 228 H CA 1.414 57.580 56.048 0.196 0.000 1.334 228 H CB 0.301 30.202 29.762 0.232 0.000 1.385 228 H HN 0.499 nan 8.280 nan 0.000 0.504 229 D N 0.153 120.762 120.400 0.349 0.000 2.404 229 D HA 0.135 4.775 4.640 0.001 0.000 0.267 229 D C -1.923 174.464 176.300 0.145 0.000 1.194 229 D CA -2.101 52.048 54.000 0.248 0.000 0.910 229 D CB 1.245 42.212 40.800 0.278 0.000 1.090 229 D HN 0.125 nan 8.370 nan 0.000 0.511 230 P HA -0.101 nan 4.420 nan 0.000 0.220 230 P C 1.738 178.795 177.300 -0.405 0.000 1.148 230 P CA 0.410 63.302 63.100 -0.347 0.000 0.803 230 P CB 0.100 31.646 31.700 -0.256 0.000 0.782 231 W N 1.704 122.886 121.300 -0.197 0.000 2.332 231 W HA -0.192 4.468 4.660 0.001 0.000 0.321 231 W C 2.038 178.514 176.519 -0.072 0.000 1.219 231 W CA 2.019 59.299 57.345 -0.108 0.000 1.277 231 W CB -0.822 28.654 29.460 0.027 0.000 1.161 231 W HN -0.047 nan 8.180 nan 0.000 0.476 232 A N 0.866 123.709 122.820 0.038 0.000 1.933 232 A HA -0.050 4.270 4.320 0.001 0.000 0.218 232 A C 2.146 179.708 177.584 -0.036 0.000 1.175 232 A CA 2.587 54.606 52.037 -0.029 0.000 0.628 232 A CB -1.277 17.825 19.000 0.171 0.000 0.814 232 A HN 0.371 nan 8.150 nan 0.000 0.444 233 A N -1.041 121.707 122.820 -0.120 0.000 1.873 233 A HA 0.109 4.429 4.320 0.001 0.000 0.215 233 A C 1.770 179.177 177.584 -0.295 0.000 1.186 233 A CA 1.753 53.611 52.037 -0.299 0.000 0.616 233 A CB -0.471 18.216 19.000 -0.522 0.000 0.823 233 A HN 1.272 nan 8.150 nan 0.000 0.442 234 Y N -3.720 116.442 120.300 -0.231 0.000 2.729 234 Y HA 0.436 4.987 4.550 0.001 0.000 0.266 234 Y C 1.452 177.261 175.900 -0.151 0.000 1.064 234 Y CA -0.003 58.003 58.100 -0.157 0.000 1.251 234 Y CB -0.099 38.317 38.460 -0.074 0.000 1.379 234 Y HN 0.207 nan 8.280 nan 0.000 0.569 235 Q N 1.253 120.857 119.800 -0.326 0.000 2.304 235 Q HA 0.117 4.458 4.340 0.001 0.000 0.204 235 Q C 0.388 176.012 176.000 -0.627 0.000 0.936 235 Q CA 0.032 55.663 55.803 -0.287 0.000 0.878 235 Q CB 0.559 29.231 28.738 -0.111 0.000 0.983 235 Q HN 0.273 nan 8.270 nan 0.000 0.516 236 K N 2.018 121.730 120.400 -1.147 0.000 2.447 236 K HA 0.050 4.370 4.320 0.001 0.000 0.281 236 K C -0.527 175.592 176.600 -0.802 0.000 1.031 236 K CA 0.042 55.418 56.287 -1.518 0.000 1.019 236 K CB 0.680 32.145 32.500 -1.725 0.000 0.918 236 K HN -0.118 nan 8.250 nan 0.000 0.476 237 S N 4.680 120.053 115.700 -0.545 0.000 2.448 237 S HA 0.241 4.711 4.470 0.001 0.000 0.279 237 S C -0.902 173.541 174.600 -0.262 0.000 1.195 237 S CA -0.591 57.503 58.200 -0.177 0.000 1.051 237 S CB -0.100 63.078 63.200 -0.036 0.000 0.948 237 S HN 0.438 nan 8.310 nan 0.000 0.493 238 F N 7.370 127.405 119.950 0.143 0.000 2.361 238 F HA 0.371 4.898 4.527 0.001 0.000 0.364 238 F C -1.131 174.548 175.800 -0.202 0.000 1.117 238 F CA -1.984 55.963 58.000 -0.088 0.000 1.071 238 F CB 1.845 40.749 39.000 -0.160 0.000 1.188 238 F HN 0.479 nan 8.300 nan 0.000 0.464 239 P HA -0.222 nan 4.420 nan 0.000 0.220 239 P C 1.174 178.447 177.300 -0.046 0.000 1.148 239 P CA 1.260 64.360 63.100 0.000 0.000 0.803 239 P CB 0.122 31.835 31.700 0.022 0.000 0.782 240 Q N 0.016 119.789 119.800 -0.044 0.000 2.364 240 Q HA -0.014 4.326 4.340 0.001 0.000 0.207 240 Q C 1.481 177.383 176.000 -0.164 0.000 0.970 240 Q CA 1.658 57.405 55.803 -0.093 0.000 0.888 240 Q CB -0.815 27.864 28.738 -0.098 0.000 0.951 240 Q HN 0.191 nan 8.270 nan 0.000 0.469 241 A N 0.374 123.035 122.820 -0.265 0.000 2.430 241 A HA 0.518 4.838 4.320 0.001 0.000 0.243 241 A C 1.336 178.722 177.584 -0.329 0.000 1.254 241 A CA 0.363 52.170 52.037 -0.382 0.000 0.914 241 A CB 0.026 18.637 19.000 -0.648 0.000 0.998 241 A HN 0.532 nan 8.150 nan 0.000 0.515 242 G N 0.224 108.904 108.800 -0.201 0.000 2.198 242 G HA2 -0.248 3.712 3.960 0.001 0.000 0.260 242 G HA3 -0.248 3.712 3.960 0.001 0.000 0.260 242 G C -0.073 174.857 174.900 0.049 0.000 1.025 242 G CA 0.286 45.350 45.100 -0.059 0.000 0.769 242 G HN 0.647 nan 8.290 nan 0.000 0.507 243 H N 0.667 119.753 119.070 0.027 0.000 2.848 243 H HA 0.512 5.068 4.556 0.001 0.000 0.341 243 H C 0.825 176.168 175.328 0.025 0.000 1.060 243 H CA 0.412 56.474 56.048 0.022 0.000 1.444 243 H CB 0.739 30.510 29.762 0.015 0.000 1.446 243 H HN 0.656 nan 8.280 nan 0.000 0.583 244 E N 0.570 120.863 120.200 0.155 0.000 2.431 244 E HA 0.061 4.412 4.350 0.001 0.000 0.268 244 E C 0.305 176.972 176.600 0.112 0.000 0.953 244 E CA -0.865 55.609 56.400 0.123 0.000 0.810 244 E CB 1.496 31.260 29.700 0.107 0.000 1.369 244 E HN 0.523 nan 8.360 nan 0.000 0.440 245 Y N 1.546 121.866 120.300 0.033 0.000 2.114 245 Y HA -0.254 4.296 4.550 0.001 0.000 0.282 245 Y C 2.193 178.102 175.900 0.014 0.000 1.165 245 Y CA 2.467 60.583 58.100 0.026 0.000 1.148 245 Y CB -0.090 38.386 38.460 0.027 0.000 0.972 245 Y HN 0.466 nan 8.280 nan 0.000 0.504 246 S N -1.331 114.345 115.700 -0.040 0.000 2.561 246 S HA 0.018 4.488 4.470 0.001 0.000 0.225 246 S C 0.724 175.248 174.600 -0.128 0.000 0.977 246 S CA 0.298 58.417 58.200 -0.134 0.000 0.926 246 S CB -1.072 62.130 63.200 0.003 0.000 0.769 246 S HN 0.311 nan 8.310 nan 0.000 0.533 247 T N 5.362 119.865 114.554 -0.085 0.000 2.784 247 T HA 0.202 4.552 4.350 0.001 0.000 0.291 247 T C -1.401 173.243 174.700 -0.094 0.000 0.942 247 T CA -0.901 61.166 62.100 -0.054 0.000 1.161 247 T CB 1.187 70.037 68.868 -0.030 0.000 0.885 247 T HN 0.299 nan 8.240 nan 0.000 0.534 248 P HA 0.102 nan 4.420 nan 0.000 0.225 248 P C 0.034 177.317 177.300 -0.028 0.000 1.156 248 P CA 0.711 63.768 63.100 -0.071 0.000 0.787 248 P CB 0.258 31.906 31.700 -0.087 0.000 0.802 249 I N -1.199 119.372 120.570 0.002 0.000 2.534 249 I HA 0.344 4.514 4.170 0.001 0.000 0.288 249 I C 0.404 176.442 176.117 -0.132 0.000 1.077 249 I CA -0.780 60.544 61.300 0.039 0.000 1.051 249 I CB 2.700 40.797 38.000 0.161 0.000 1.234 249 I HN -0.294 nan 8.210 nan 0.000 0.425 250 K N 2.714 123.009 120.400 -0.176 0.000 1.884 250 K HA 0.844 5.165 4.320 0.001 0.000 0.250 250 K C 0.273 176.791 176.600 -0.138 0.000 1.009 250 K CA -0.533 55.441 56.287 -0.522 0.000 0.925 250 K CB 1.051 33.246 32.500 -0.509 0.000 1.839 250 K HN 0.793 nan 8.250 nan 0.000 0.735 251 G N 1.035 109.826 108.800 -0.015 0.000 2.692 251 G HA2 -0.290 3.670 3.960 0.001 0.000 0.248 251 G HA3 -0.290 3.670 3.960 0.001 0.000 0.248 251 G C 0.256 175.333 174.900 0.295 0.000 1.340 251 G CA 0.340 45.539 45.100 0.166 0.000 0.896 251 G HN 0.593 nan 8.290 nan 0.000 0.570 252 N N -1.169 117.666 118.700 0.225 0.000 2.104 252 N HA -0.107 4.633 4.740 0.001 0.000 0.190 252 N C 1.970 177.465 175.510 -0.025 0.000 1.024 252 N CA 2.154 55.266 53.050 0.102 0.000 0.853 252 N CB -0.462 38.223 38.487 0.329 0.000 1.008 252 N HN 0.546 nan 8.380 nan 0.000 0.424 253 Y N 1.298 121.426 120.300 -0.287 0.000 2.165 253 Y HA -0.066 4.484 4.550 0.001 0.000 0.286 253 Y C 2.459 178.025 175.900 -0.557 0.000 1.155 253 Y CA 0.598 58.355 58.100 -0.571 0.000 1.164 253 Y CB -1.031 37.169 38.460 -0.435 0.000 0.978 253 Y HN 0.045 nan 8.280 nan 0.000 0.513 254 A N -0.378 122.402 122.820 -0.067 0.000 1.933 254 A HA -0.212 4.109 4.320 0.001 0.000 0.218 254 A C 2.337 179.849 177.584 -0.120 0.000 1.175 254 A CA 1.868 53.874 52.037 -0.051 0.000 0.628 254 A CB -0.769 18.251 19.000 0.034 0.000 0.814 254 A HN 0.444 nan 8.150 nan 0.000 0.444 255 M N -0.800 118.727 119.600 -0.122 0.000 2.175 255 M HA -0.058 4.423 4.480 0.001 0.000 0.264 255 M C 2.036 178.121 176.300 -0.358 0.000 1.063 255 M CA 1.177 56.339 55.300 -0.230 0.000 1.119 255 M CB -0.453 31.968 32.600 -0.298 0.000 1.377 255 M HN 0.359 nan 8.290 nan 0.000 0.415 256 L N -0.394 120.519 121.223 -0.516 0.000 2.093 256 L HA -0.183 4.157 4.340 0.001 0.000 0.208 256 L C 2.532 179.037 176.870 -0.608 0.000 1.085 256 L CA 1.083 55.538 54.840 -0.642 0.000 0.755 256 L CB -0.442 41.042 42.059 -0.957 0.000 0.904 256 L HN 0.346 nan 8.230 nan 0.000 0.435 257 M N -0.613 118.586 119.600 -0.669 0.000 2.086 257 M HA -0.213 4.268 4.480 0.001 0.000 0.261 257 M C 2.533 178.693 176.300 -0.232 0.000 1.067 257 M CA 2.042 57.117 55.300 -0.374 0.000 1.116 257 M CB -0.549 31.899 32.600 -0.253 0.000 1.348 257 M HN 0.310 nan 8.290 nan 0.000 0.407 258 A N 0.056 122.738 122.820 -0.231 0.000 1.972 258 A HA -0.149 4.171 4.320 0.001 0.000 0.219 258 A C 2.095 179.575 177.584 -0.173 0.000 1.169 258 A CA 1.308 53.233 52.037 -0.187 0.000 0.635 258 A CB -0.766 18.131 19.000 -0.172 0.000 0.810 258 A HN 0.427 nan 8.150 nan 0.000 0.446 259 L N -0.456 120.644 121.223 -0.205 0.000 2.046 259 L HA -0.114 4.227 4.340 0.001 0.000 0.208 259 L C 2.102 178.893 176.870 -0.132 0.000 1.077 259 L CA 1.898 56.631 54.840 -0.177 0.000 0.747 259 L CB -0.369 41.560 42.059 -0.216 0.000 0.896 259 L HN 0.134 nan 8.230 nan 0.000 0.432 260 K N -0.534 119.789 120.400 -0.129 0.000 2.209 260 K HA -0.118 4.202 4.320 0.001 0.000 0.204 260 K C 2.032 178.592 176.600 -0.066 0.000 1.048 260 K CA 0.873 57.115 56.287 -0.076 0.000 0.940 260 K CB -0.222 32.254 32.500 -0.039 0.000 0.729 260 K HN 0.463 nan 8.250 nan 0.000 0.451 261 Q N 0.035 119.785 119.800 -0.084 0.000 2.172 261 Q HA -0.080 4.261 4.340 0.001 0.000 0.200 261 Q C 2.121 178.080 176.000 -0.069 0.000 0.964 261 Q CA 0.961 56.720 55.803 -0.074 0.000 0.855 261 Q CB -0.132 28.550 28.738 -0.092 0.000 0.918 261 Q HN 0.301 nan 8.270 nan 0.000 0.444 262 R N 0.628 121.081 120.500 -0.079 0.000 2.062 262 R HA -0.031 4.310 4.340 0.001 0.000 0.226 262 R C -0.195 176.071 176.300 -0.056 0.000 1.125 262 R CA 0.926 56.984 56.100 -0.070 0.000 0.966 262 R CB 0.301 30.551 30.300 -0.082 0.000 0.861 262 R HN 0.113 nan 8.270 nan 0.000 0.433 263 N N 0.864 119.530 118.700 -0.058 0.000 2.851 263 N HA 0.165 4.905 4.740 0.001 0.000 0.248 263 N C -2.217 173.269 175.510 -0.041 0.000 1.221 263 N CA -1.347 51.676 53.050 -0.044 0.000 0.847 263 N CB 1.896 40.357 38.487 -0.043 0.000 1.150 263 N HN 0.113 nan 8.380 nan 0.000 0.507 264 P HA -0.077 nan 4.420 nan 0.000 0.222 264 P C -0.012 177.269 177.300 -0.032 0.000 1.147 264 P CA 1.133 64.214 63.100 -0.031 0.000 0.790 264 P CB 0.551 32.236 31.700 -0.024 0.000 0.780 265 D N -0.659 119.724 120.400 -0.029 0.000 2.348 265 D HA 0.041 4.681 4.640 0.001 0.000 0.211 265 D C 0.950 177.220 176.300 -0.050 0.000 0.998 265 D CA -0.066 53.916 54.000 -0.031 0.000 0.873 265 D CB -0.293 40.499 40.800 -0.014 0.000 0.925 265 D HN 0.153 nan 8.370 nan 0.000 0.524 266 L N 1.680 122.872 121.223 -0.051 0.000 2.490 266 L HA 0.029 4.369 4.340 0.001 0.000 0.274 266 L C 0.023 176.838 176.870 -0.092 0.000 1.201 266 L CA 0.256 55.054 54.840 -0.070 0.000 0.869 266 L CB 0.421 42.451 42.059 -0.049 0.000 1.123 266 L HN -0.331 nan 8.230 nan 0.000 0.484 267 K N 7.257 127.556 120.400 -0.169 0.000 2.263 267 K HA 0.438 4.759 4.320 0.001 0.000 0.272 267 K C -0.832 175.756 176.600 -0.019 0.000 1.033 267 K CA -0.105 56.096 56.287 -0.143 0.000 0.884 267 K CB 1.078 33.366 32.500 -0.352 0.000 1.107 267 K HN 0.569 nan 8.250 nan 0.000 0.460 268 I N 4.966 125.583 120.570 0.078 0.000 2.355 268 I HA 0.402 4.573 4.170 0.001 0.000 0.288 268 I C -0.074 176.233 176.117 0.316 0.000 0.999 268 I CA -0.671 60.740 61.300 0.184 0.000 1.163 268 I CB 0.892 39.006 38.000 0.189 0.000 1.316 268 I HN 0.324 nan 8.210 nan 0.000 0.454 269 I N 8.234 128.976 120.570 0.287 0.000 2.466 269 I HA 0.373 4.543 4.170 0.001 0.000 0.289 269 I C -2.399 173.768 176.117 0.083 0.000 1.026 269 I CA -2.135 59.283 61.300 0.196 0.000 1.078 269 I CB 2.567 40.688 38.000 0.202 0.000 1.249 269 I HN 0.275 nan 8.210 nan 0.000 0.429 270 P HA 0.060 nan 4.420 nan 0.000 0.276 270 P C -0.603 176.729 177.300 0.055 0.000 1.235 270 P CA -0.262 62.684 63.100 -0.257 0.000 0.772 270 P CB 1.367 32.635 31.700 -0.721 0.000 0.871 271 S N 3.727 119.560 115.700 0.223 0.000 2.422 271 S HA 0.426 4.896 4.470 0.001 0.000 0.298 271 S C -0.012 174.892 174.600 0.507 0.000 1.118 271 S CA -0.790 57.641 58.200 0.385 0.000 1.083 271 S CB -0.535 62.967 63.200 0.502 0.000 0.971 271 S HN 0.222 nan 8.310 nan 0.000 0.478 272 I N 5.449 126.284 120.570 0.442 0.000 2.315 272 I HA 0.519 4.689 4.170 0.001 0.000 0.291 272 I C 1.201 177.592 176.117 0.456 0.000 1.006 272 I CA 0.016 61.560 61.300 0.408 0.000 1.265 272 I CB 0.706 38.952 38.000 0.409 0.000 1.387 272 I HN 0.971 nan 8.210 nan 0.000 0.475 273 G N 4.606 113.585 108.800 0.298 0.000 2.936 273 G HA2 0.176 4.137 3.960 0.001 0.000 0.237 273 G HA3 0.176 4.137 3.960 0.001 0.000 0.237 273 G C 0.201 174.943 174.900 -0.263 0.000 1.403 273 G CA -0.003 45.179 45.100 0.136 0.000 1.011 273 G HN 1.586 nan 8.290 nan 0.000 0.568 274 G N -2.069 106.519 108.800 -0.354 0.000 2.685 274 G HA2 0.025 3.985 3.960 0.001 0.000 0.387 274 G HA3 0.025 3.985 3.960 0.001 0.000 0.387 274 G C 0.797 175.487 174.900 -0.350 0.000 1.324 274 G CA 0.635 45.285 45.100 -0.749 0.000 0.878 274 G HN 1.973 nan 8.290 nan 0.000 0.527 275 W N 0.148 121.147 121.300 -0.501 0.000 2.318 275 W HA -0.185 4.475 4.660 0.000 0.000 0.313 275 W C 2.293 178.678 176.519 -0.223 0.000 1.221 275 W CA 2.943 60.086 57.345 -0.337 0.000 1.266 275 W CB -0.282 29.008 29.460 -0.283 0.000 1.150 275 W HN 0.915 nan 8.180 nan 0.000 0.496 276 T N -1.587 112.813 114.554 -0.256 0.000 3.069 276 T HA 0.175 4.525 4.350 0.001 0.000 0.252 276 T C 1.185 175.764 174.700 -0.202 0.000 1.053 276 T CA 0.025 61.950 62.100 -0.292 0.000 0.964 276 T CB -0.338 68.441 68.868 -0.148 0.000 1.005 276 T HN 0.116 nan 8.240 nan 0.000 0.532 277 L N 0.703 121.809 121.223 -0.196 0.000 3.066 277 L HA 0.417 4.757 4.340 0.001 0.000 0.265 277 L C 1.569 178.316 176.870 -0.204 0.000 1.232 277 L CA -0.159 54.582 54.840 -0.166 0.000 1.031 277 L CB 0.405 42.404 42.059 -0.099 0.000 1.379 277 L HN 0.130 nan 8.230 nan 0.000 0.563 278 S N -0.556 115.039 115.700 -0.176 0.000 2.524 278 S HA -0.044 4.427 4.470 0.001 0.000 0.216 278 S C 1.176 175.657 174.600 -0.200 0.000 0.987 278 S CA 0.081 58.230 58.200 -0.085 0.000 0.909 278 S CB 0.093 63.285 63.200 -0.013 0.000 0.781 278 S HN 0.396 nan 8.310 nan 0.000 0.521 279 D N 2.440 122.752 120.400 -0.145 0.000 2.133 279 D HA -0.107 4.534 4.640 0.001 0.000 0.192 279 D C -0.914 175.316 176.300 -0.117 0.000 1.001 279 D CA 1.403 55.389 54.000 -0.023 0.000 0.844 279 D CB -1.651 39.123 40.800 -0.044 0.000 0.944 279 D HN 0.334 nan 8.370 nan 0.000 0.447 280 P HA -0.081 nan 4.420 nan 0.000 0.222 280 P C 1.187 178.066 177.300 -0.701 0.000 1.147 280 P CA 0.655 63.573 63.100 -0.304 0.000 0.790 280 P CB -0.134 31.364 31.700 -0.336 0.000 0.780 281 F N -1.860 117.387 119.950 -1.171 0.000 2.202 281 F HA -0.169 4.358 4.527 0.000 0.000 0.301 281 F C 1.978 176.816 175.800 -1.604 0.000 1.082 281 F CA 1.306 58.022 58.000 -2.139 0.000 1.313 281 F CB -1.607 35.726 39.000 -2.778 0.000 1.024 281 F HN -0.001 nan 8.300 nan 0.000 0.495 282 Y N -0.297 119.700 120.300 -0.504 0.000 2.574 282 Y HA -0.160 4.390 4.550 0.001 0.000 0.294 282 Y C 1.501 177.369 175.900 -0.053 0.000 1.142 282 Y CA 0.628 58.670 58.100 -0.097 0.000 1.314 282 Y CB -0.452 38.027 38.460 0.033 0.000 0.991 282 Y HN -0.009 nan 8.280 nan 0.000 0.555 283 D N -1.074 119.326 120.400 -0.001 0.000 2.328 283 D HA -0.002 4.638 4.640 0.001 0.000 0.221 283 D C 0.885 177.202 176.300 0.028 0.000 1.072 283 D CA 0.330 54.335 54.000 0.008 0.000 0.850 283 D CB -0.184 40.604 40.800 -0.020 0.000 0.922 283 D HN 0.246 nan 8.370 nan 0.000 0.516 284 F N 0.774 120.554 119.950 -0.283 0.000 2.811 284 F HA -0.030 4.498 4.527 0.001 0.000 0.301 284 F C 2.212 177.960 175.800 -0.087 0.000 1.151 284 F CA -0.280 57.568 58.000 -0.252 0.000 1.412 284 F CB -0.814 38.002 39.000 -0.306 0.000 1.113 284 F HN -0.103 nan 8.300 nan 0.000 0.579 285 V N -2.364 117.640 119.914 0.149 0.000 2.594 285 V HA -0.153 3.968 4.120 0.001 0.000 0.253 285 V C 0.792 176.908 176.094 0.036 0.000 1.069 285 V CA 1.298 63.667 62.300 0.115 0.000 1.082 285 V CB -0.572 31.326 31.823 0.124 0.000 0.680 285 V HN 0.093 nan 8.190 nan 0.000 0.469 286 D N 0.798 121.188 120.400 -0.016 0.000 2.339 286 D HA 0.146 4.787 4.640 0.001 0.000 0.241 286 D C 1.116 177.344 176.300 -0.120 0.000 1.183 286 D CA -0.114 53.849 54.000 -0.063 0.000 0.859 286 D CB 1.497 42.248 40.800 -0.082 0.000 1.067 286 D HN 0.318 nan 8.370 nan 0.000 0.484 287 K N 3.485 123.830 120.400 -0.092 0.000 2.152 287 K HA -0.168 4.152 4.320 0.001 0.000 0.206 287 K C 1.389 177.897 176.600 -0.153 0.000 1.048 287 K CA 1.067 57.284 56.287 -0.118 0.000 0.933 287 K CB 0.249 32.705 32.500 -0.074 0.000 0.721 287 K HN 0.324 nan 8.250 nan 0.000 0.447 288 K N 0.232 120.556 120.400 -0.126 0.000 2.103 288 K HA -0.133 4.187 4.320 0.001 0.000 0.207 288 K C 1.758 178.256 176.600 -0.170 0.000 1.048 288 K CA 1.498 57.717 56.287 -0.114 0.000 0.930 288 K CB -0.145 32.313 32.500 -0.070 0.000 0.716 288 K HN 0.223 nan 8.250 nan 0.000 0.444 289 N N 0.857 119.386 118.700 -0.285 0.000 2.216 289 N HA -0.084 4.656 4.740 0.001 0.000 0.183 289 N C 1.695 176.832 175.510 -0.621 0.000 1.017 289 N CA 0.936 53.699 53.050 -0.477 0.000 0.861 289 N CB -0.128 37.864 38.487 -0.826 0.000 0.986 289 N HN 0.209 nan 8.380 nan 0.000 0.428 290 R N 0.859 120.948 120.500 -0.685 0.000 2.073 290 R HA -0.085 4.256 4.340 0.001 0.000 0.234 290 R C 1.278 177.406 176.300 -0.286 0.000 1.134 290 R CA 1.256 56.950 56.100 -0.677 0.000 0.952 290 R CB -0.303 29.733 30.300 -0.440 0.000 0.850 290 R HN 0.214 nan 8.270 nan 0.000 0.433 291 D N 0.027 120.306 120.400 -0.202 0.000 2.116 291 D HA -0.144 4.496 4.640 0.001 0.000 0.193 291 D C 1.881 178.130 176.300 -0.085 0.000 0.998 291 D CA 1.735 55.664 54.000 -0.118 0.000 0.836 291 D CB -0.543 40.202 40.800 -0.092 0.000 0.951 291 D HN 0.178 nan 8.370 nan 0.000 0.449 292 T N 0.541 115.053 114.554 -0.069 0.000 2.684 292 T HA -0.173 4.177 4.350 0.001 0.000 0.267 292 T C 1.713 176.428 174.700 0.024 0.000 1.036 292 T CA 0.991 63.090 62.100 -0.002 0.000 1.148 292 T CB -0.562 68.344 68.868 0.063 0.000 0.863 292 T HN 0.128 nan 8.240 nan 0.000 0.436 293 F N 2.054 121.917 119.950 -0.146 0.000 2.069 293 F HA -0.156 4.372 4.527 0.001 0.000 0.298 293 F C 2.291 178.039 175.800 -0.086 0.000 1.113 293 F CA 0.956 58.892 58.000 -0.107 0.000 1.214 293 F CB -0.818 38.062 39.000 -0.201 0.000 0.978 293 F HN -0.088 nan 8.300 nan 0.000 0.474 294 V N 0.776 120.575 119.914 -0.191 0.000 2.332 294 V HA -0.347 3.773 4.120 0.001 0.000 0.248 294 V C 2.772 178.727 176.094 -0.231 0.000 1.055 294 V CA 1.937 64.085 62.300 -0.254 0.000 1.038 294 V CB -1.705 30.052 31.823 -0.110 0.000 0.651 294 V HN 0.537 nan 8.190 nan 0.000 0.450 295 A N 0.625 123.355 122.820 -0.150 0.000 1.902 295 A HA -0.221 4.099 4.320 0.001 0.000 0.217 295 A C 2.568 180.088 177.584 -0.106 0.000 1.181 295 A CA 2.352 54.325 52.037 -0.106 0.000 0.623 295 A CB -0.799 18.163 19.000 -0.064 0.000 0.818 295 A HN 0.701 nan 8.150 nan 0.000 0.443 296 S N -0.427 115.196 115.700 -0.127 0.000 2.402 296 S HA -0.108 4.363 4.470 0.001 0.000 0.229 296 S C 1.742 176.273 174.600 -0.115 0.000 1.021 296 S CA 1.431 59.576 58.200 -0.091 0.000 0.974 296 S CB -0.825 62.327 63.200 -0.080 0.000 0.800 296 S HN 0.248 nan 8.310 nan 0.000 0.484 297 V N 2.216 121.952 119.914 -0.296 0.000 2.358 297 V HA -0.115 4.005 4.120 0.001 0.000 0.246 297 V C 2.778 178.818 176.094 -0.090 0.000 1.047 297 V CA 2.060 64.204 62.300 -0.260 0.000 1.035 297 V CB -0.781 30.751 31.823 -0.486 0.000 0.658 297 V HN 0.543 nan 8.190 nan 0.000 0.452 298 K N 0.432 120.753 120.400 -0.130 0.000 2.032 298 K HA -0.269 4.051 4.320 0.001 0.000 0.209 298 K C 2.322 178.884 176.600 -0.062 0.000 1.048 298 K CA 2.009 58.228 56.287 -0.114 0.000 0.927 298 K CB -0.176 32.253 32.500 -0.118 0.000 0.712 298 K HN 0.371 nan 8.250 nan 0.000 0.441 299 K N -0.201 120.185 120.400 -0.023 0.000 2.063 299 K HA -0.186 4.135 4.320 0.001 0.000 0.208 299 K C 2.027 178.650 176.600 0.038 0.000 1.048 299 K CA 1.537 57.825 56.287 0.000 0.000 0.928 299 K CB -0.256 32.267 32.500 0.039 0.000 0.713 299 K HN 0.133 nan 8.250 nan 0.000 0.442 300 F N 1.345 121.286 119.950 -0.015 0.000 2.134 300 F HA -0.165 4.362 4.527 0.001 0.000 0.299 300 F C 1.690 177.551 175.800 0.101 0.000 1.097 300 F CA 1.362 59.431 58.000 0.116 0.000 1.264 300 F CB 0.043 39.103 39.000 0.100 0.000 1.001 300 F HN -0.022 nan 8.300 nan 0.000 0.479 301 L N -0.286 121.017 121.223 0.133 0.000 2.217 301 L HA -0.153 4.188 4.340 0.001 0.000 0.211 301 L C 2.186 179.002 176.870 -0.091 0.000 1.107 301 L CA 1.090 55.953 54.840 0.038 0.000 0.783 301 L CB -0.524 41.522 42.059 -0.021 0.000 0.919 301 L HN 0.056 nan 8.230 nan 0.000 0.442 302 K N -0.643 119.655 120.400 -0.170 0.000 2.103 302 K HA -0.060 4.261 4.320 0.001 0.000 0.204 302 K C 2.062 178.280 176.600 -0.637 0.000 1.052 302 K CA 1.449 57.576 56.287 -0.268 0.000 0.945 302 K CB -0.098 32.285 32.500 -0.194 0.000 0.722 302 K HN 0.197 nan 8.250 nan 0.000 0.443 303 T N -0.192 113.925 114.554 -0.728 0.000 2.812 303 T HA -0.094 4.256 4.350 0.001 0.000 0.264 303 T C 0.066 174.071 174.700 -1.159 0.000 1.042 303 T CA 0.951 62.303 62.100 -1.247 0.000 1.140 303 T CB -0.052 68.224 68.868 -0.986 0.000 0.870 303 T HN 0.266 nan 8.240 nan 0.000 0.445 304 W N 2.150 123.172 121.300 -0.463 0.000 2.351 304 W HA 0.479 5.140 4.660 0.001 0.000 0.320 304 W C 0.856 177.129 176.519 -0.410 0.000 0.947 304 W CA -0.996 56.111 57.345 -0.397 0.000 1.565 304 W CB 0.451 29.584 29.460 -0.545 0.000 1.409 304 W HN -0.039 nan 8.180 nan 0.000 0.399 305 K N 1.119 121.492 120.400 -0.046 0.000 2.365 305 K HA -0.106 4.215 4.320 0.001 0.000 0.199 305 K C 1.582 178.186 176.600 0.006 0.000 1.045 305 K CA 0.949 57.233 56.287 -0.004 0.000 0.962 305 K CB -0.096 32.432 32.500 0.046 0.000 0.759 305 K HN 0.550 nan 8.250 nan 0.000 0.469 306 F N -0.844 119.077 119.950 -0.049 0.000 2.407 306 F HA 0.002 4.529 4.527 0.001 0.000 0.299 306 F C 0.532 176.262 175.800 -0.116 0.000 1.097 306 F CA -0.210 57.707 58.000 -0.139 0.000 1.422 306 F CB -0.817 38.024 39.000 -0.265 0.000 1.067 306 F HN -0.195 nan 8.300 nan 0.000 0.539 307 Y N 2.171 122.065 120.300 -0.677 0.000 2.411 307 Y HA 0.070 4.620 4.550 0.001 0.000 0.333 307 Y C 0.832 176.699 175.900 -0.055 0.000 1.186 307 Y CA -0.568 57.301 58.100 -0.385 0.000 1.381 307 Y CB 0.475 38.683 38.460 -0.419 0.000 1.273 307 Y HN 0.074 nan 8.280 nan 0.000 0.546 308 D N 2.189 122.712 120.400 0.204 0.000 2.462 308 D HA 0.265 4.906 4.640 0.001 0.000 0.221 308 D C 0.675 177.131 176.300 0.261 0.000 1.173 308 D CA 0.389 54.438 54.000 0.080 0.000 0.831 308 D CB 0.799 41.604 40.800 0.008 0.000 1.001 308 D HN 0.881 nan 8.370 nan 0.000 0.499 309 G N -0.157 108.880 108.800 0.395 0.000 2.403 309 G HA2 0.198 4.158 3.960 0.001 0.000 0.223 309 G HA3 0.198 4.158 3.960 0.001 0.000 0.223 309 G C -1.943 173.062 174.900 0.175 0.000 1.287 309 G CA -0.214 45.101 45.100 0.359 0.000 0.982 309 G HN 0.110 nan 8.290 nan 0.000 0.471 310 V N 0.502 120.508 119.914 0.154 0.000 2.851 310 V HA 0.677 4.798 4.120 0.001 0.000 0.307 310 V C -1.896 174.306 176.094 0.179 0.000 1.129 310 V CA -0.203 62.164 62.300 0.113 0.000 0.932 310 V CB 2.001 33.865 31.823 0.068 0.000 1.024 310 V HN 1.095 nan 8.190 nan 0.000 0.426 311 D N 5.551 126.070 120.400 0.200 0.000 2.278 311 D HA 0.516 5.156 4.640 0.001 0.000 0.245 311 D C -0.866 175.618 176.300 0.307 0.000 1.052 311 D CA -0.422 53.740 54.000 0.270 0.000 0.834 311 D CB 1.341 42.305 40.800 0.274 0.000 1.194 311 D HN 0.383 nan 8.370 nan 0.000 0.481 312 I N 3.565 124.312 120.570 0.295 0.000 2.328 312 I HA 0.228 4.399 4.170 0.001 0.000 0.287 312 I C -0.568 175.687 176.117 0.231 0.000 1.012 312 I CA -0.618 60.844 61.300 0.269 0.000 1.195 312 I CB 1.205 39.302 38.000 0.160 0.000 1.350 312 I HN 0.391 nan 8.210 nan 0.000 0.464 313 D N 6.361 126.908 120.400 0.244 0.000 2.772 313 D HA 0.072 4.712 4.640 0.001 0.000 0.273 313 D C -0.292 176.006 176.300 -0.004 0.000 1.233 313 D CA -0.158 53.949 54.000 0.178 0.000 0.984 313 D CB 0.258 41.226 40.800 0.280 0.000 1.000 313 D HN 0.334 nan 8.370 nan 0.000 0.514 314 W N 2.803 123.805 121.300 -0.496 0.000 2.437 314 W HA 0.325 4.985 4.660 0.000 0.000 0.312 314 W C -0.876 175.352 176.519 -0.486 0.000 1.242 314 W CA -1.066 55.787 57.345 -0.821 0.000 1.340 314 W CB 0.054 28.820 29.460 -1.158 0.000 1.327 314 W HN 0.126 nan 8.180 nan 0.000 0.476 315 M N 8.658 128.175 119.600 -0.139 0.000 2.065 315 M HA 0.331 4.811 4.480 0.001 0.000 0.332 315 M C -1.570 174.492 176.300 -0.396 0.000 0.988 315 M CA -0.153 54.603 55.300 -0.906 0.000 0.944 315 M CB 0.608 32.569 32.600 -1.065 0.000 1.357 315 M HN 0.083 nan 8.290 nan 0.000 0.388 316 F N 1.449 121.503 119.950 0.174 0.000 2.613 316 F HA 0.581 5.108 4.527 0.000 0.000 0.310 316 F C -2.442 173.034 175.800 -0.540 0.000 1.085 316 F CA -2.415 55.456 58.000 -0.214 0.000 0.945 316 F CB 1.412 40.342 39.000 -0.116 0.000 1.298 316 F HN 0.252 nan 8.300 nan 0.000 0.455 317 P HA 0.199 nan 4.420 nan 0.000 0.264 317 P C 0.672 177.795 177.300 -0.296 0.000 1.193 317 P CA 1.285 63.755 63.100 -1.051 0.000 0.763 317 P CB 0.537 31.471 31.700 -1.276 0.000 0.810 318 G N 1.737 110.521 108.800 -0.026 0.000 2.234 318 G HA2 0.063 4.024 3.960 0.001 0.000 0.235 318 G HA3 0.063 4.024 3.960 0.001 0.000 0.235 318 G C 0.468 175.425 174.900 0.095 0.000 0.997 318 G CA 0.164 45.279 45.100 0.025 0.000 0.623 318 G HN 1.047 nan 8.290 nan 0.000 0.514 319 G N -1.801 107.130 108.800 0.220 0.000 2.362 319 G HA2 0.529 4.490 3.960 0.001 0.000 0.517 319 G HA3 0.529 4.490 3.960 0.001 0.000 0.517 319 G C 1.151 176.183 174.900 0.221 0.000 1.256 319 G CA 1.334 46.541 45.100 0.177 0.000 1.027 319 G HN 2.440 nan 8.290 nan 0.000 0.491 320 G N -1.359 107.534 108.800 0.154 0.000 2.148 320 G HA2 0.290 4.251 3.960 0.001 0.000 0.254 320 G HA3 0.290 4.251 3.960 0.001 0.000 0.254 320 G C 1.498 176.669 174.900 0.452 0.000 0.981 320 G CA 1.272 46.485 45.100 0.190 0.000 0.670 320 G HN 2.278 nan 8.290 nan 0.000 0.528 321 G N -1.287 107.732 108.800 0.366 0.000 2.531 321 G HA2 0.720 4.680 3.960 0.001 0.000 0.281 321 G HA3 0.720 4.680 3.960 0.001 0.000 0.281 321 G C 1.368 176.085 174.900 -0.304 0.000 1.382 321 G CA 0.821 46.009 45.100 0.147 0.000 1.045 321 G HN 1.196 nan 8.290 nan 0.000 0.533 322 A N -0.723 121.487 122.820 -1.017 0.000 1.933 322 A HA 0.368 4.688 4.320 0.001 0.000 0.218 322 A C 1.813 179.181 177.584 -0.360 0.000 1.175 322 A CA 1.840 53.331 52.037 -0.909 0.000 0.628 322 A CB -0.735 17.537 19.000 -1.213 0.000 0.814 322 A HN 1.489 nan 8.150 nan 0.000 0.444 323 A N -0.354 122.300 122.820 -0.276 0.000 2.343 323 A HA 0.589 4.909 4.320 0.001 0.000 0.305 323 A C 1.269 178.756 177.584 -0.161 0.000 1.308 323 A CA 0.312 52.238 52.037 -0.185 0.000 0.949 323 A CB 0.045 18.945 19.000 -0.168 0.000 1.148 323 A HN 1.015 nan 8.150 nan 0.000 0.545 324 A N 2.472 125.225 122.820 -0.111 0.000 2.070 324 A HA -0.098 4.222 4.320 0.001 0.000 0.220 324 A C 1.460 178.986 177.584 -0.097 0.000 1.159 324 A CA 1.602 53.593 52.037 -0.077 0.000 0.656 324 A CB -0.214 18.761 19.000 -0.041 0.000 0.800 324 A HN 0.819 nan 8.150 nan 0.000 0.453 325 D N -0.775 119.554 120.400 -0.119 0.000 2.328 325 D HA 0.079 4.719 4.640 0.001 0.000 0.221 325 D C 0.266 176.460 176.300 -0.178 0.000 1.072 325 D CA 0.212 54.142 54.000 -0.117 0.000 0.850 325 D CB 0.055 40.802 40.800 -0.089 0.000 0.922 325 D HN 0.322 nan 8.370 nan 0.000 0.516 326 K N -0.171 120.051 120.400 -0.297 0.000 2.267 326 K HA 0.648 4.968 4.320 0.001 0.000 0.246 326 K C -0.229 176.006 176.600 -0.608 0.000 0.954 326 K CA -0.752 55.207 56.287 -0.546 0.000 0.824 326 K CB 2.439 34.403 32.500 -0.894 0.000 1.167 326 K HN 0.122 nan 8.250 nan 0.000 0.431 327 G N 1.736 110.227 108.800 -0.515 0.000 2.801 327 G HA2 -0.006 3.954 3.960 0.001 0.000 0.648 327 G HA3 -0.006 3.954 3.960 0.001 0.000 0.648 327 G C -1.989 172.938 174.900 0.046 0.000 1.415 327 G CA -0.880 44.175 45.100 -0.076 0.000 0.887 327 G HN 0.551 nan 8.290 nan 0.000 0.627 328 D N 3.177 123.670 120.400 0.155 0.000 2.389 328 D HA 0.515 5.155 4.640 0.001 0.000 0.256 328 D C -1.522 174.823 176.300 0.075 0.000 1.239 328 D CA -1.951 52.112 54.000 0.105 0.000 0.925 328 D CB 2.278 43.160 40.800 0.137 0.000 1.145 328 D HN 0.049 nan 8.370 nan 0.000 0.542 329 P HA -0.091 nan 4.420 nan 0.000 0.222 329 P C 1.473 178.772 177.300 -0.001 0.000 1.147 329 P CA 0.439 63.539 63.100 -0.001 0.000 0.790 329 P CB 0.637 32.333 31.700 -0.007 0.000 0.780 330 V N -0.188 119.737 119.914 0.018 0.000 2.346 330 V HA -0.097 4.023 4.120 0.001 0.000 0.244 330 V C 1.851 177.962 176.094 0.028 0.000 1.037 330 V CA 1.777 64.088 62.300 0.018 0.000 1.029 330 V CB -0.762 31.075 31.823 0.023 0.000 0.663 330 V HN 0.161 nan 8.190 nan 0.000 0.454 331 N N -0.800 117.934 118.700 0.056 0.000 2.348 331 N HA -0.012 4.729 4.740 0.001 0.000 0.183 331 N C 1.244 176.828 175.510 0.124 0.000 1.094 331 N CA 0.427 53.526 53.050 0.082 0.000 0.885 331 N CB 0.169 38.712 38.487 0.094 0.000 1.065 331 N HN 0.367 nan 8.380 nan 0.000 0.472 332 D N 1.159 121.636 120.400 0.128 0.000 2.097 332 D HA -0.065 4.575 4.640 0.001 0.000 0.195 332 D C 1.995 178.302 176.300 0.010 0.000 0.989 332 D CA 1.158 55.256 54.000 0.164 0.000 0.827 332 D CB -0.486 40.356 40.800 0.072 0.000 0.966 332 D HN 0.260 nan 8.370 nan 0.000 0.456 333 G N 1.449 110.191 108.800 -0.097 0.000 2.459 333 G HA2 -0.202 3.759 3.960 0.001 0.000 0.217 333 G HA3 -0.202 3.759 3.960 0.001 0.000 0.217 333 G C -0.732 174.166 174.900 -0.003 0.000 1.183 333 G CA 0.636 45.645 45.100 -0.152 0.000 0.776 333 G HN 0.297 nan 8.290 nan 0.000 0.552 334 P HA -0.080 nan 4.420 nan 0.000 0.216 334 P C 2.157 179.530 177.300 0.121 0.000 1.150 334 P CA 2.052 65.193 63.100 0.068 0.000 0.843 334 P CB -0.145 31.587 31.700 0.054 0.000 0.787 335 A N -1.564 121.364 122.820 0.180 0.000 1.898 335 A HA -0.224 4.096 4.320 0.001 0.000 0.216 335 A C 2.287 180.071 177.584 0.333 0.000 1.181 335 A CA 1.406 53.595 52.037 0.253 0.000 0.620 335 A CB -1.887 17.324 19.000 0.352 0.000 0.819 335 A HN 0.162 nan 8.150 nan 0.000 0.442 336 Y N 0.608 121.052 120.300 0.241 0.000 2.128 336 Y HA -0.230 4.320 4.550 0.001 0.000 0.284 336 Y C 2.007 177.973 175.900 0.111 0.000 1.154 336 Y CA 1.977 60.199 58.100 0.203 0.000 1.149 336 Y CB -0.301 38.109 38.460 -0.083 0.000 0.976 336 Y HN 0.275 nan 8.280 nan 0.000 0.505 337 I N 0.159 120.881 120.570 0.254 0.000 2.163 337 I HA -0.375 3.795 4.170 0.001 0.000 0.243 337 I C 2.707 178.849 176.117 0.042 0.000 1.085 337 I CA 1.418 62.818 61.300 0.168 0.000 1.347 337 I CB -0.847 37.250 38.000 0.162 0.000 1.044 337 I HN 0.349 nan 8.210 nan 0.000 0.408 338 A N 0.593 123.435 122.820 0.036 0.000 1.908 338 A HA -0.228 4.092 4.320 0.001 0.000 0.218 338 A C 2.269 179.806 177.584 -0.078 0.000 1.181 338 A CA 1.668 53.684 52.037 -0.036 0.000 0.627 338 A CB -0.873 18.129 19.000 0.002 0.000 0.818 338 A HN 0.400 nan 8.150 nan 0.000 0.445 339 L N -0.835 120.381 121.223 -0.012 0.000 2.012 339 L HA -0.197 4.144 4.340 0.001 0.000 0.210 339 L C 2.368 179.199 176.870 -0.065 0.000 1.073 339 L CA 2.176 57.018 54.840 0.002 0.000 0.748 339 L CB -0.460 41.667 42.059 0.115 0.000 0.891 339 L HN 0.316 nan 8.230 nan 0.000 0.431 340 M N -0.862 118.658 119.600 -0.133 0.000 2.117 340 M HA -0.183 4.297 4.480 0.001 0.000 0.262 340 M C 2.457 178.591 176.300 -0.275 0.000 1.065 340 M CA 1.617 56.845 55.300 -0.121 0.000 1.114 340 M CB -1.361 31.223 32.600 -0.028 0.000 1.361 340 M HN 0.335 nan 8.290 nan 0.000 0.408 341 R N 0.633 120.768 120.500 -0.609 0.000 2.083 341 R HA -0.180 4.161 4.340 0.001 0.000 0.237 341 R C 1.961 177.990 176.300 -0.451 0.000 1.137 341 R CA 1.944 57.400 56.100 -1.073 0.000 0.951 341 R CB -0.030 29.676 30.300 -0.990 0.000 0.851 341 R HN 0.433 nan 8.270 nan 0.000 0.434 342 E N 0.215 120.257 120.200 -0.264 0.000 2.072 342 E HA -0.147 4.203 4.350 0.001 0.000 0.190 342 E C 2.074 178.609 176.600 -0.107 0.000 0.982 342 E CA 1.176 57.485 56.400 -0.151 0.000 0.803 342 E CB -0.042 29.591 29.700 -0.112 0.000 0.755 342 E HN 0.321 nan 8.360 nan 0.000 0.453 343 L N 0.683 121.859 121.223 -0.078 0.000 2.083 343 L HA -0.188 4.153 4.340 0.001 0.000 0.209 343 L C 2.586 179.429 176.870 -0.045 0.000 1.083 343 L CA 0.823 55.637 54.840 -0.043 0.000 0.752 343 L CB -0.224 41.846 42.059 0.018 0.000 0.899 343 L HN 0.053 nan 8.230 nan 0.000 0.433 344 R N 0.216 120.688 120.500 -0.047 0.000 2.075 344 R HA -0.099 4.242 4.340 0.001 0.000 0.232 344 R C 2.024 178.317 176.300 -0.011 0.000 1.126 344 R CA 1.571 57.672 56.100 0.002 0.000 0.963 344 R CB -1.022 29.320 30.300 0.070 0.000 0.858 344 R HN 0.128 nan 8.270 nan 0.000 0.435 345 V N 1.346 121.230 119.914 -0.049 0.000 2.287 345 V HA -0.296 3.824 4.120 0.001 0.000 0.248 345 V C 2.557 178.623 176.094 -0.046 0.000 1.053 345 V CA 2.190 64.465 62.300 -0.041 0.000 1.027 345 V CB -0.628 31.159 31.823 -0.060 0.000 0.646 345 V HN 0.409 nan 8.190 nan 0.000 0.447 346 M N -0.431 119.128 119.600 -0.067 0.000 2.117 346 M HA -0.158 4.322 4.480 0.001 0.000 0.262 346 M C 2.130 178.365 176.300 -0.108 0.000 1.065 346 M CA 2.072 57.319 55.300 -0.088 0.000 1.114 346 M CB -0.663 31.873 32.600 -0.108 0.000 1.361 346 M HN 0.302 nan 8.290 nan 0.000 0.408 347 L N 0.045 121.211 121.223 -0.095 0.000 2.093 347 L HA -0.228 4.112 4.340 0.001 0.000 0.208 347 L C 2.002 178.850 176.870 -0.037 0.000 1.085 347 L CA 1.069 55.840 54.840 -0.115 0.000 0.755 347 L CB -0.935 41.107 42.059 -0.027 0.000 0.904 347 L HN 0.236 nan 8.230 nan 0.000 0.435 348 D N 0.167 120.566 120.400 -0.001 0.000 2.144 348 D HA -0.183 4.457 4.640 0.001 0.000 0.199 348 D C 2.082 178.387 176.300 0.009 0.000 0.984 348 D CA 1.094 55.109 54.000 0.025 0.000 0.834 348 D CB -0.033 40.782 40.800 0.025 0.000 0.955 348 D HN 0.400 nan 8.370 nan 0.000 0.465 349 E N 0.252 120.438 120.200 -0.023 0.000 2.051 349 E HA -0.123 4.228 4.350 0.001 0.000 0.192 349 E C 2.373 178.956 176.600 -0.029 0.000 0.991 349 E CA 0.503 56.886 56.400 -0.028 0.000 0.799 349 E CB -0.127 29.545 29.700 -0.047 0.000 0.748 349 E HN 0.258 nan 8.360 nan 0.000 0.449 350 L N 1.036 122.211 121.223 -0.079 0.000 2.083 350 L HA -0.212 4.128 4.340 0.001 0.000 0.209 350 L C 2.377 179.297 176.870 0.083 0.000 1.083 350 L CA 1.216 56.002 54.840 -0.091 0.000 0.752 350 L CB -0.386 41.425 42.059 -0.413 0.000 0.899 350 L HN 0.173 nan 8.230 nan 0.000 0.433 351 E N 0.049 120.328 120.200 0.132 0.000 2.077 351 E HA -0.221 4.130 4.350 0.001 0.000 0.193 351 E C 2.290 178.951 176.600 0.101 0.000 0.989 351 E CA 1.166 57.676 56.400 0.183 0.000 0.800 351 E CB -0.142 29.657 29.700 0.165 0.000 0.746 351 E HN 0.511 nan 8.360 nan 0.000 0.452 352 A N 1.436 124.293 122.820 0.063 0.000 1.930 352 A HA -0.218 4.102 4.320 0.001 0.000 0.217 352 A C 1.874 179.481 177.584 0.039 0.000 1.175 352 A CA 1.416 53.478 52.037 0.042 0.000 0.627 352 A CB -0.323 18.692 19.000 0.025 0.000 0.815 352 A HN 0.155 nan 8.150 nan 0.000 0.443 353 E N -1.006 119.218 120.200 0.040 0.000 2.216 353 E HA -0.081 4.269 4.350 0.001 0.000 0.192 353 E C 1.900 178.530 176.600 0.051 0.000 0.988 353 E CA 1.459 57.879 56.400 0.034 0.000 0.834 353 E CB -0.030 29.682 29.700 0.020 0.000 0.772 353 E HN 0.828 nan 8.360 nan 0.000 0.479 354 T N -4.686 109.916 114.554 0.081 0.000 2.955 354 T HA 0.299 4.649 4.350 0.001 0.000 0.251 354 T C 1.613 176.357 174.700 0.073 0.000 1.002 354 T CA 0.342 62.496 62.100 0.091 0.000 0.970 354 T CB 0.878 69.837 68.868 0.151 0.000 1.091 354 T HN 0.208 nan 8.240 nan 0.000 0.495 355 G N 2.034 110.877 108.800 0.072 0.000 2.184 355 G HA2 -0.278 3.682 3.960 0.001 0.000 0.264 355 G HA3 -0.278 3.682 3.960 0.001 0.000 0.264 355 G C 0.225 175.147 174.900 0.037 0.000 0.975 355 G CA 0.243 45.373 45.100 0.050 0.000 0.642 355 G HN 0.718 nan 8.290 nan 0.000 0.536 356 R N -0.074 120.453 120.500 0.045 0.000 2.546 356 R HA 0.596 4.936 4.340 0.001 0.000 0.266 356 R C -0.110 176.165 176.300 -0.041 0.000 1.086 356 R CA 0.110 56.181 56.100 -0.049 0.000 1.160 356 R CB 0.561 30.760 30.300 -0.168 0.000 1.138 356 R HN 0.144 nan 8.270 nan 0.000 0.567 357 T N 1.455 115.926 114.554 -0.137 0.000 2.794 357 T HA 0.369 4.720 4.350 0.001 0.000 0.280 357 T C -1.105 173.481 174.700 -0.191 0.000 0.987 357 T CA -0.419 61.643 62.100 -0.063 0.000 0.993 357 T CB 0.453 69.308 68.868 -0.022 0.000 0.939 357 T HN 0.265 nan 8.240 nan 0.000 0.449 358 Y N 1.280 121.608 120.300 0.046 0.000 2.409 358 Y HA 0.436 4.986 4.550 0.001 0.000 0.339 358 Y C 0.796 176.738 175.900 0.070 0.000 1.033 358 Y CA -0.968 57.166 58.100 0.058 0.000 1.094 358 Y CB 1.503 39.990 38.460 0.045 0.000 1.210 358 Y HN 0.566 nan 8.280 nan 0.000 0.456 359 E N 2.592 122.944 120.200 0.253 0.000 2.191 359 E HA 0.451 4.802 4.350 0.001 0.000 0.274 359 E C -1.645 175.078 176.600 0.204 0.000 0.948 359 E CA -1.131 55.394 56.400 0.208 0.000 0.802 359 E CB 2.502 32.362 29.700 0.266 0.000 1.137 359 E HN 0.289 nan 8.360 nan 0.000 0.397 360 L N 2.436 123.748 121.223 0.148 0.000 2.325 360 L HA 0.421 4.762 4.340 0.001 0.000 0.281 360 L C -0.624 176.326 176.870 0.133 0.000 1.004 360 L CA -0.023 54.900 54.840 0.138 0.000 0.823 360 L CB 1.446 43.568 42.059 0.105 0.000 1.236 360 L HN 0.686 nan 8.230 nan 0.000 0.415 361 T N 0.855 115.522 114.554 0.188 0.000 2.887 361 T HA 0.852 5.202 4.350 0.001 0.000 0.292 361 T C -0.670 174.175 174.700 0.242 0.000 1.087 361 T CA -0.733 61.486 62.100 0.198 0.000 1.009 361 T CB 1.699 70.773 68.868 0.342 0.000 1.203 361 T HN 0.659 nan 8.240 nan 0.000 0.518 362 S N -0.428 115.423 115.700 0.252 0.000 2.543 362 S HA 0.676 5.147 4.470 0.001 0.000 0.271 362 S C -1.054 173.746 174.600 0.333 0.000 1.148 362 S CA -0.453 57.934 58.200 0.312 0.000 0.914 362 S CB 1.057 64.458 63.200 0.336 0.000 1.096 362 S HN 1.354 nan 8.310 nan 0.000 0.471 363 A N 4.278 127.317 122.820 0.364 0.000 2.301 363 A HA 0.781 5.102 4.320 0.001 0.000 0.298 363 A C -0.028 177.702 177.584 0.242 0.000 1.185 363 A CA -0.675 51.549 52.037 0.312 0.000 0.830 363 A CB -0.174 19.052 19.000 0.377 0.000 1.112 363 A HN 1.153 nan 8.150 nan 0.000 0.508 364 I N -0.194 120.484 120.570 0.181 0.000 2.892 364 I HA 0.859 5.029 4.170 0.001 0.000 0.306 364 I C 0.401 176.610 176.117 0.153 0.000 1.078 364 I CA -1.093 60.296 61.300 0.149 0.000 1.032 364 I CB 2.052 40.043 38.000 -0.015 0.000 1.229 364 I HN 0.605 nan 8.210 nan 0.000 0.435 365 G N 1.877 110.799 108.800 0.203 0.000 2.544 365 G HA2 0.403 4.363 3.960 0.001 0.000 0.242 365 G HA3 0.403 4.363 3.960 0.001 0.000 0.242 365 G C 0.521 175.371 174.900 -0.084 0.000 1.247 365 G CA 0.014 45.105 45.100 -0.015 0.000 0.840 365 G HN 1.205 nan 8.290 nan 0.000 0.578 366 V N -0.137 119.733 119.914 -0.073 0.000 3.477 366 V HA 0.466 4.586 4.120 0.001 0.000 0.297 366 V C 1.117 177.208 176.094 -0.005 0.000 1.433 366 V CA 0.325 62.615 62.300 -0.017 0.000 1.052 366 V CB -0.269 31.593 31.823 0.065 0.000 0.895 366 V HN 0.815 nan 8.190 nan 0.000 0.438 367 G N 0.484 109.219 108.800 -0.108 0.000 2.491 367 G HA2 0.193 4.153 3.960 0.001 0.000 0.238 367 G HA3 0.193 4.153 3.960 0.001 0.000 0.238 367 G C 0.459 175.363 174.900 0.006 0.000 1.277 367 G CA 0.402 45.497 45.100 -0.009 0.000 0.851 367 G HN 0.723 nan 8.290 nan 0.000 0.573 368 Y N 0.363 120.743 120.300 0.133 0.000 2.193 368 Y HA -0.257 4.293 4.550 0.001 0.000 0.285 368 Y C 2.081 177.998 175.900 0.028 0.000 1.166 368 Y CA 1.882 60.014 58.100 0.052 0.000 1.181 368 Y CB -0.241 38.236 38.460 0.029 0.000 0.976 368 Y HN 0.484 nan 8.280 nan 0.000 0.520 369 D N -0.072 119.673 120.400 -1.092 0.000 2.312 369 D HA -0.125 4.515 4.640 0.001 0.000 0.211 369 D C 1.312 177.382 176.300 -0.383 0.000 0.964 369 D CA 0.788 54.313 54.000 -0.791 0.000 0.877 369 D CB -0.185 40.102 40.800 -0.855 0.000 0.924 369 D HN 0.376 nan 8.370 nan 0.000 0.515 370 K N 0.610 120.801 120.400 -0.348 0.000 2.099 370 K HA 0.171 4.492 4.320 0.001 0.000 0.203 370 K C 2.484 178.995 176.600 -0.148 0.000 1.047 370 K CA 0.079 56.188 56.287 -0.296 0.000 0.963 370 K CB -0.207 32.029 32.500 -0.441 0.000 0.759 370 K HN 0.255 nan 8.250 nan 0.000 0.451 371 I N 2.403 122.932 120.570 -0.070 0.000 2.286 371 I HA -0.272 3.899 4.170 0.001 0.000 0.248 371 I C 2.374 178.519 176.117 0.047 0.000 1.115 371 I CA 1.431 62.777 61.300 0.077 0.000 1.392 371 I CB -0.398 37.644 38.000 0.070 0.000 1.065 371 I HN 0.308 nan 8.210 nan 0.000 0.418 372 E N 0.455 120.652 120.200 -0.006 0.000 2.409 372 E HA -0.230 4.121 4.350 0.001 0.000 0.198 372 E C 0.874 177.433 176.600 -0.067 0.000 1.024 372 E CA 1.131 57.526 56.400 -0.008 0.000 0.861 372 E CB -0.237 29.480 29.700 0.029 0.000 0.788 372 E HN 0.441 nan 8.360 nan 0.000 0.521 373 D N 0.754 121.081 120.400 -0.122 0.000 2.340 373 D HA 0.080 4.720 4.640 0.001 0.000 0.220 373 D C -0.265 175.875 176.300 -0.268 0.000 1.039 373 D CA 0.319 54.217 54.000 -0.169 0.000 0.866 373 D CB 0.796 41.488 40.800 -0.180 0.000 0.913 373 D HN 0.016 nan 8.370 nan 0.000 0.523 374 V N 0.825 120.522 119.914 -0.360 0.000 2.709 374 V HA 0.149 4.270 4.120 0.001 0.000 0.308 374 V C -0.431 175.383 176.094 -0.466 0.000 1.062 374 V CA -1.131 60.812 62.300 -0.596 0.000 0.901 374 V CB 2.563 33.597 31.823 -1.315 0.000 1.003 374 V HN -0.208 nan 8.190 nan 0.000 0.425 375 D N 2.276 122.490 120.400 -0.309 0.000 2.483 375 D HA 0.190 4.831 4.640 0.001 0.000 0.220 375 D C 0.434 176.649 176.300 -0.142 0.000 1.173 375 D CA 0.002 53.911 54.000 -0.152 0.000 0.964 375 D CB 0.382 41.146 40.800 -0.061 0.000 1.046 375 D HN 0.491 nan 8.370 nan 0.000 0.517 376 Y N 1.988 122.281 120.300 -0.012 0.000 2.439 376 Y HA -0.027 4.523 4.550 0.001 0.000 0.292 376 Y C 2.378 178.286 175.900 0.014 0.000 1.130 376 Y CA 0.870 58.978 58.100 0.014 0.000 1.254 376 Y CB -0.219 38.231 38.460 -0.016 0.000 1.000 376 Y HN 0.526 nan 8.280 nan 0.000 0.554 377 A N -0.169 122.722 122.820 0.119 0.000 1.933 377 A HA -0.224 4.097 4.320 0.001 0.000 0.218 377 A C 2.052 179.649 177.584 0.022 0.000 1.175 377 A CA 2.064 54.131 52.037 0.050 0.000 0.628 377 A CB -0.600 18.415 19.000 0.024 0.000 0.814 377 A HN 0.381 nan 8.150 nan 0.000 0.444 378 D N -0.259 120.162 120.400 0.035 0.000 2.091 378 D HA 0.018 4.659 4.640 0.001 0.000 0.199 378 D C 2.205 178.554 176.300 0.082 0.000 0.980 378 D CA 1.516 55.539 54.000 0.037 0.000 0.831 378 D CB -0.297 40.540 40.800 0.062 0.000 0.987 378 D HN 0.283 nan 8.370 nan 0.000 0.460 379 A N 0.441 123.362 122.820 0.167 0.000 1.908 379 A HA -0.130 4.190 4.320 0.001 0.000 0.218 379 A C 2.497 180.220 177.584 0.231 0.000 1.181 379 A CA 1.582 53.794 52.037 0.292 0.000 0.627 379 A CB -0.967 18.273 19.000 0.399 0.000 0.818 379 A HN 0.231 nan 8.150 nan 0.000 0.445 380 V N 1.272 121.274 119.914 0.147 0.000 2.913 380 V HA -0.246 3.874 4.120 0.001 0.000 0.260 380 V C 2.638 178.699 176.094 -0.055 0.000 1.098 380 V CA 2.182 64.525 62.300 0.072 0.000 1.121 380 V CB -0.727 31.131 31.823 0.059 0.000 0.714 380 V HN 0.903 nan 8.190 nan 0.000 0.487 381 Q N -1.188 118.498 119.800 -0.191 0.000 2.291 381 Q HA -0.230 4.111 4.340 0.001 0.000 0.206 381 Q C 1.549 177.323 176.000 -0.376 0.000 0.976 381 Q CA 2.216 57.811 55.803 -0.347 0.000 0.875 381 Q CB -0.490 27.940 28.738 -0.513 0.000 0.927 381 Q HN 0.756 nan 8.270 nan 0.000 0.450 382 Y N 0.104 120.408 120.300 0.006 0.000 2.462 382 Y HA 0.345 4.895 4.550 0.001 0.000 0.261 382 Y C 0.738 176.632 175.900 -0.010 0.000 1.146 382 Y CA -0.517 57.583 58.100 0.000 0.000 1.283 382 Y CB 0.522 38.986 38.460 0.006 0.000 1.090 382 Y HN 0.036 nan 8.280 nan 0.000 0.526 383 M N -0.482 119.167 119.600 0.081 0.000 2.578 383 M HA 0.241 4.721 4.480 0.001 0.000 0.321 383 M C -0.212 176.026 176.300 -0.103 0.000 1.182 383 M CA -0.309 55.008 55.300 0.027 0.000 0.965 383 M CB 1.773 34.406 32.600 0.056 0.000 1.694 383 M HN -0.022 nan 8.290 nan 0.000 0.461 384 D N -0.048 120.245 120.400 -0.178 0.000 2.149 384 D HA 0.040 4.681 4.640 0.001 0.000 0.206 384 D C -0.819 174.960 176.300 -0.867 0.000 0.967 384 D CA 1.561 55.257 54.000 -0.506 0.000 0.848 384 D CB 0.331 40.859 40.800 -0.453 0.000 0.998 384 D HN 0.398 nan 8.370 nan 0.000 0.474 385 Y N -0.735 119.454 120.300 -0.185 0.000 2.534 385 Y HA 0.469 5.019 4.550 0.001 0.000 0.345 385 Y C -0.813 174.833 175.900 -0.423 0.000 1.031 385 Y CA -1.078 56.785 58.100 -0.395 0.000 1.022 385 Y CB 1.952 39.969 38.460 -0.737 0.000 1.292 385 Y HN -0.293 nan 8.280 nan 0.000 0.459 386 I N 3.287 123.714 120.570 -0.237 0.000 2.355 386 I HA 0.259 4.429 4.170 0.001 0.000 0.288 386 I C -1.189 174.716 176.117 -0.353 0.000 0.999 386 I CA -0.550 60.616 61.300 -0.223 0.000 1.163 386 I CB 0.770 38.683 38.000 -0.145 0.000 1.316 386 I HN 0.431 nan 8.210 nan 0.000 0.454 387 F N 5.561 125.413 119.950 -0.164 0.000 2.423 387 F HA 0.358 4.886 4.527 0.001 0.000 0.356 387 F C 0.967 176.686 175.800 -0.134 0.000 1.170 387 F CA -0.543 57.168 58.000 -0.481 0.000 1.163 387 F CB 0.570 38.944 39.000 -1.044 0.000 1.318 387 F HN 0.444 nan 8.300 nan 0.000 0.569 388 A N 5.683 128.662 122.820 0.265 0.000 2.438 388 A HA 0.314 4.635 4.320 0.001 0.000 0.280 388 A C 0.489 178.248 177.584 0.292 0.000 1.160 388 A CA -0.477 51.691 52.037 0.220 0.000 0.821 388 A CB -0.232 18.852 19.000 0.140 0.000 1.101 388 A HN 0.766 nan 8.150 nan 0.000 0.515 389 M N 3.917 123.582 119.600 0.110 0.000 3.442 389 M HA 0.030 4.510 4.480 0.001 0.000 0.232 389 M C 0.691 176.631 176.300 -0.600 0.000 1.508 389 M CA 0.189 55.296 55.300 -0.322 0.000 1.647 389 M CB -0.674 31.865 32.600 -0.100 0.000 1.126 389 M HN 0.747 nan 8.290 nan 0.000 0.557 390 T N -0.063 114.138 114.554 -0.587 0.000 4.099 390 T HA 0.294 4.644 4.350 0.001 0.000 0.223 390 T C -0.547 173.750 174.700 -0.672 0.000 0.968 390 T CA -0.288 61.649 62.100 -0.272 0.000 0.966 390 T CB -1.006 67.871 68.868 0.014 0.000 1.328 390 T HN 0.511 nan 8.240 nan 0.000 0.783 391 Y N -2.811 117.114 120.300 -0.625 0.000 2.853 391 Y HA 0.570 5.120 4.550 0.001 0.000 0.326 391 Y C -0.279 175.256 175.900 -0.609 0.000 1.384 391 Y CA -2.023 55.610 58.100 -0.778 0.000 1.077 391 Y CB -0.017 38.249 38.460 -0.323 0.000 1.395 391 Y HN 0.116 nan 8.280 nan 0.000 0.451 392 D N -0.396 119.989 120.400 -0.025 0.000 2.870 392 D HA -0.181 4.460 4.640 0.001 0.000 0.228 392 D C 0.327 176.786 176.300 0.265 0.000 1.147 392 D CA 0.960 55.069 54.000 0.182 0.000 0.757 392 D CB -1.368 39.501 40.800 0.115 0.000 1.091 392 D HN 0.465 nan 8.370 nan 0.000 0.429 393 F N -0.569 119.567 119.950 0.309 0.000 2.206 393 F HA 0.052 4.579 4.527 0.001 0.000 0.298 393 F C 1.105 177.048 175.800 0.240 0.000 1.090 393 F CA 0.718 58.868 58.000 0.250 0.000 1.323 393 F CB -0.253 38.991 39.000 0.407 0.000 1.028 393 F HN 0.057 nan 8.300 nan 0.000 0.492 394 Y N -1.564 119.072 120.300 0.559 0.000 2.581 394 Y HA 0.654 5.205 4.550 0.000 0.000 0.345 394 Y C 0.484 176.274 175.900 -0.183 0.000 1.036 394 Y CA -1.040 57.240 58.100 0.301 0.000 1.042 394 Y CB 1.924 40.565 38.460 0.301 0.000 1.289 394 Y HN -0.067 nan 8.280 nan 0.000 0.471 395 G N -0.675 107.672 108.800 -0.755 0.000 2.428 395 G HA2 0.376 4.337 3.960 0.001 0.000 0.304 395 G HA3 0.376 4.337 3.960 0.001 0.000 0.304 395 G C 0.154 174.368 174.900 -1.145 0.000 1.303 395 G CA -0.196 44.202 45.100 -1.171 0.000 0.825 395 G HN 0.897 nan 8.290 nan 0.000 0.484 396 G N -0.679 107.592 108.800 -0.881 0.000 2.776 396 G HA2 0.144 4.105 3.960 0.001 0.000 0.209 396 G HA3 0.144 4.105 3.960 0.001 0.000 0.209 396 G C 1.235 176.069 174.900 -0.111 0.000 1.145 396 G CA 1.195 45.977 45.100 -0.531 0.000 0.791 396 G HN 0.793 nan 8.290 nan 0.000 0.530 397 W N 1.836 123.180 121.300 0.073 0.000 2.465 397 W HA 0.136 4.796 4.660 0.000 0.000 0.268 397 W C 0.578 177.185 176.519 0.147 0.000 1.242 397 W CA 0.325 57.728 57.345 0.097 0.000 1.248 397 W CB -0.486 29.021 29.460 0.077 0.000 1.118 397 W HN 0.267 nan 8.180 nan 0.000 0.587 398 N N -0.700 118.008 118.700 0.013 0.000 3.229 398 N HA 0.209 4.949 4.740 0.001 0.000 0.315 398 N C -0.233 175.378 175.510 0.168 0.000 1.520 398 N CA -0.829 52.299 53.050 0.130 0.000 0.769 398 N CB -0.062 38.531 38.487 0.176 0.000 1.766 398 N HN -0.159 nan 8.380 nan 0.000 0.618 399 N N -1.055 117.700 118.700 0.091 0.000 2.273 399 N HA 0.185 4.926 4.740 0.001 0.000 0.231 399 N C -0.898 174.451 175.510 -0.268 0.000 1.134 399 N CA 0.017 53.057 53.050 -0.016 0.000 0.856 399 N CB 0.498 38.983 38.487 -0.003 0.000 1.068 399 N HN 0.322 nan 8.380 nan 0.000 0.510 400 V N 3.051 122.835 119.914 -0.215 0.000 2.348 400 V HA 0.289 4.410 4.120 0.001 0.000 0.270 400 V C -2.063 173.647 176.094 -0.641 0.000 1.037 400 V CA -1.645 60.475 62.300 -0.299 0.000 0.872 400 V CB 1.209 33.029 31.823 -0.005 0.000 1.002 400 V HN -0.057 nan 8.190 nan 0.000 0.464 401 P HA 0.498 nan 4.420 nan 0.000 0.272 401 P C 0.240 176.755 177.300 -1.308 0.000 1.223 401 P CA 0.287 62.418 63.100 -1.616 0.000 0.784 401 P CB 0.882 31.764 31.700 -1.364 0.000 0.923 402 G N -0.117 107.935 108.800 -1.247 0.000 2.368 402 G HA2 0.229 4.189 3.960 0.001 0.000 0.293 402 G HA3 0.229 4.189 3.960 0.001 0.000 0.293 402 G C -1.924 172.540 174.900 -0.727 0.000 1.467 402 G CA -0.697 43.314 45.100 -1.816 0.000 0.804 402 G HN 0.525 nan 8.290 nan 0.000 0.535 403 H N 0.597 119.494 119.070 -0.288 0.000 2.878 403 H HA 0.243 4.800 4.556 0.001 0.000 0.290 403 H C 1.543 177.114 175.328 0.405 0.000 1.065 403 H CA 0.278 56.398 56.048 0.121 0.000 1.477 403 H CB 1.692 31.558 29.762 0.174 0.000 1.484 403 H HN 0.656 nan 8.280 nan 0.000 0.504 404 Q N 1.845 121.897 119.800 0.421 0.000 2.378 404 Q HA -0.067 4.273 4.340 0.001 0.000 0.205 404 Q C 1.028 177.047 176.000 0.030 0.000 0.954 404 Q CA 1.531 57.538 55.803 0.340 0.000 0.901 404 Q CB 0.582 29.425 28.738 0.175 0.000 0.981 404 Q HN 0.557 nan 8.270 nan 0.000 0.483 405 T N -0.828 113.789 114.554 0.106 0.000 3.567 405 T HA 0.532 4.883 4.350 0.001 0.000 0.314 405 T C -0.345 174.454 174.700 0.165 0.000 0.942 405 T CA 0.053 62.103 62.100 -0.083 0.000 0.997 405 T CB -0.036 68.757 68.868 -0.124 0.000 1.205 405 T HN 0.442 nan 8.240 nan 0.000 0.518 406 A N 1.110 124.141 122.820 0.350 0.000 2.483 406 A HA 0.530 4.851 4.320 0.001 0.000 0.238 406 A C 1.378 178.997 177.584 0.058 0.000 1.070 406 A CA -0.242 51.877 52.037 0.137 0.000 0.770 406 A CB 0.078 19.171 19.000 0.155 0.000 1.008 406 A HN 0.454 nan 8.150 nan 0.000 0.497 407 L N 1.528 122.629 121.223 -0.204 0.000 2.044 407 L HA 0.092 4.433 4.340 0.001 0.000 0.205 407 L C 0.400 176.886 176.870 -0.641 0.000 1.075 407 L CA 1.802 56.300 54.840 -0.571 0.000 0.747 407 L CB -0.712 40.825 42.059 -0.870 0.000 0.903 407 L HN 0.723 nan 8.230 nan 0.000 0.435 408 Y N -3.254 116.998 120.300 -0.080 0.000 2.686 408 Y HA 0.389 4.940 4.550 0.001 0.000 0.330 408 Y C 0.425 176.302 175.900 -0.039 0.000 1.082 408 Y CA -1.490 56.571 58.100 -0.066 0.000 1.158 408 Y CB 0.471 38.894 38.460 -0.062 0.000 1.333 408 Y HN -0.340 nan 8.280 nan 0.000 0.519 409 c N 2.198 120.876 118.600 0.130 0.000 2.632 409 c HA 0.450 5.020 4.570 0.001 0.000 0.415 409 c C 1.114 175.196 174.090 -0.014 0.000 1.332 409 c CA -0.608 55.718 56.329 -0.006 0.000 1.874 409 c CB -1.028 41.425 42.510 -0.095 0.000 2.596 409 c HN 0.870 nan 8.230 nan 0.000 0.590 410 G N 1.779 110.556 108.800 -0.039 0.000 2.599 410 G HA2 0.324 4.284 3.960 0.001 0.000 0.264 410 G HA3 0.324 4.284 3.960 0.001 0.000 0.264 410 G C 1.028 175.862 174.900 -0.109 0.000 1.200 410 G CA 0.078 45.233 45.100 0.092 0.000 0.896 410 G HN 0.773 nan 8.290 nan 0.000 0.536 411 S N -0.275 115.462 115.700 0.061 0.000 2.400 411 S HA -0.180 4.290 4.470 0.001 0.000 0.232 411 S C 2.051 176.619 174.600 -0.053 0.000 1.025 411 S CA 2.043 60.247 58.200 0.007 0.000 0.993 411 S CB -0.519 62.727 63.200 0.076 0.000 0.808 411 S HN 0.709 nan 8.310 nan 0.000 0.478 412 F N 0.938 120.822 119.950 -0.110 0.000 2.451 412 F HA 0.318 4.846 4.527 0.001 0.000 0.299 412 F C 0.807 176.524 175.800 -0.138 0.000 1.101 412 F CA -0.181 57.715 58.000 -0.174 0.000 1.436 412 F CB -0.690 38.126 39.000 -0.308 0.000 1.074 412 F HN 0.080 nan 8.300 nan 0.000 0.553 413 M N 1.796 120.890 119.600 -0.844 0.000 2.243 413 M HA 0.185 4.665 4.480 0.001 0.000 0.341 413 M C 0.515 176.646 176.300 -0.282 0.000 1.130 413 M CA 0.194 55.099 55.300 -0.657 0.000 1.162 413 M CB 0.718 32.895 32.600 -0.704 0.000 1.497 413 M HN 0.069 nan 8.290 nan 0.000 0.456 414 R N 1.940 122.337 120.500 -0.171 0.000 2.637 414 R HA 0.278 4.618 4.340 0.001 0.000 0.269 414 R C -2.265 173.996 176.300 -0.065 0.000 1.089 414 R CA -1.500 54.570 56.100 -0.050 0.000 1.177 414 R CB -0.214 30.143 30.300 0.095 0.000 1.091 414 R HN 0.332 nan 8.270 nan 0.000 0.540 415 P HA -0.031 nan 4.420 nan 0.000 0.261 415 P C 0.307 177.606 177.300 -0.001 0.000 1.183 415 P CA 0.983 64.069 63.100 -0.024 0.000 0.761 415 P CB 0.480 32.176 31.700 -0.007 0.000 0.785 416 G N 2.683 111.456 108.800 -0.044 0.000 2.184 416 G HA2 -0.364 3.596 3.960 0.001 0.000 0.264 416 G HA3 -0.364 3.596 3.960 0.001 0.000 0.264 416 G C 1.063 175.893 174.900 -0.116 0.000 0.975 416 G CA 0.552 45.628 45.100 -0.039 0.000 0.642 416 G HN 0.577 nan 8.290 nan 0.000 0.536 417 Q N -0.687 118.950 119.800 -0.272 0.000 2.123 417 Q HA -0.068 4.273 4.340 0.001 0.000 0.199 417 Q C 2.752 178.445 176.000 -0.511 0.000 0.966 417 Q CA 1.858 57.221 55.803 -0.734 0.000 0.845 417 Q CB -0.424 27.824 28.738 -0.817 0.000 0.907 417 Q HN 0.774 nan 8.270 nan 0.000 0.439 418 c N 2.089 120.499 118.600 -0.318 0.000 2.413 418 c HA -0.167 4.404 4.570 0.001 0.000 0.277 418 c C 2.348 176.328 174.090 -0.185 0.000 1.228 418 c CA 1.728 57.920 56.329 -0.228 0.000 1.731 418 c CB -0.959 41.459 42.510 -0.154 0.000 2.042 418 c HN 0.800 nan 8.230 nan 0.000 0.468 419 D N -1.366 118.946 120.400 -0.146 0.000 2.289 419 D HA 0.122 4.763 4.640 0.001 0.000 0.207 419 D C 1.586 177.800 176.300 -0.143 0.000 0.966 419 D CA 1.344 55.279 54.000 -0.107 0.000 0.868 419 D CB -0.429 40.335 40.800 -0.060 0.000 0.943 419 D HN 0.722 nan 8.370 nan 0.000 0.514 420 G N 0.241 108.935 108.800 -0.176 0.000 2.159 420 G HA2 -0.217 3.744 3.960 0.001 0.000 0.227 420 G HA3 -0.217 3.744 3.960 0.001 0.000 0.227 420 G C 1.043 175.930 174.900 -0.022 0.000 0.986 420 G CA 0.236 45.247 45.100 -0.149 0.000 0.651 420 G HN 0.648 nan 8.290 nan 0.000 0.523 421 G N 0.120 108.910 108.800 -0.018 0.000 2.985 421 G HA2 0.514 4.474 3.960 0.001 0.000 0.209 421 G HA3 0.514 4.474 3.960 0.001 0.000 0.209 421 G C 1.003 175.932 174.900 0.047 0.000 1.165 421 G CA 1.147 46.250 45.100 0.006 0.000 0.776 421 G HN 1.097 nan 8.290 nan 0.000 0.541 422 G N -0.781 108.097 108.800 0.131 0.000 2.574 422 G HA2 0.483 4.443 3.960 0.001 0.000 0.248 422 G HA3 0.483 4.443 3.960 0.001 0.000 0.248 422 G C -1.111 173.880 174.900 0.151 0.000 1.422 422 G CA -0.327 44.873 45.100 0.168 0.000 1.051 422 G HN 0.178 nan 8.290 nan 0.000 0.560 423 V N 0.748 120.692 119.914 0.050 0.000 2.841 423 V HA 0.366 4.487 4.120 0.001 0.000 0.310 423 V C -0.659 175.209 176.094 -0.377 0.000 1.090 423 V CA -0.626 61.536 62.300 -0.230 0.000 0.930 423 V CB 2.030 33.784 31.823 -0.115 0.000 1.014 423 V HN 1.014 nan 8.190 nan 0.000 0.425 424 D N 2.222 122.236 120.400 -0.642 0.000 2.440 424 D HA 0.119 4.759 4.640 0.001 0.000 0.269 424 D C 1.046 177.255 176.300 -0.151 0.000 1.249 424 D CA -0.237 53.510 54.000 -0.421 0.000 1.055 424 D CB 0.528 41.051 40.800 -0.461 0.000 1.104 424 D HN 0.503 nan 8.370 nan 0.000 0.561 425 E N -1.032 119.124 120.200 -0.072 0.000 2.160 425 E HA -0.170 4.180 4.350 0.001 0.000 0.195 425 E C 0.966 177.535 176.600 -0.051 0.000 0.991 425 E CA 1.240 57.616 56.400 -0.039 0.000 0.810 425 E CB -0.157 29.535 29.700 -0.014 0.000 0.742 425 E HN 0.363 nan 8.360 nan 0.000 0.466 426 N N -0.830 117.830 118.700 -0.067 0.000 2.383 426 N HA 0.068 4.808 4.740 0.001 0.000 0.192 426 N C 0.676 176.144 175.510 -0.070 0.000 1.141 426 N CA 0.850 53.865 53.050 -0.058 0.000 0.851 426 N CB 1.010 39.467 38.487 -0.050 0.000 0.976 426 N HN 0.322 nan 8.380 nan 0.000 0.465 427 G N 0.891 109.636 108.800 -0.091 0.000 2.179 427 G HA2 -0.267 3.694 3.960 0.001 0.000 0.260 427 G HA3 -0.267 3.694 3.960 0.001 0.000 0.260 427 G C -0.136 174.694 174.900 -0.116 0.000 0.977 427 G CA -0.141 44.904 45.100 -0.090 0.000 0.641 427 G HN 0.407 nan 8.290 nan 0.000 0.533 428 E N 1.545 121.655 120.200 -0.149 0.000 2.289 428 E HA 0.353 4.703 4.350 0.001 0.000 0.278 428 E C -2.335 174.112 176.600 -0.255 0.000 1.032 428 E CA -1.837 54.468 56.400 -0.160 0.000 0.854 428 E CB 0.993 30.613 29.700 -0.133 0.000 1.046 428 E HN 0.166 nan 8.360 nan 0.000 0.409 429 P HA -0.075 nan 4.420 nan 0.000 0.269 429 P C -0.948 176.213 177.300 -0.232 0.000 1.209 429 P CA 0.339 63.327 63.100 -0.186 0.000 0.776 429 P CB 0.248 31.897 31.700 -0.085 0.000 0.876 430 Y N 1.074 121.330 120.300 -0.073 0.000 2.480 430 Y HA 0.018 4.568 4.550 0.001 0.000 0.338 430 Y C 1.881 177.703 175.900 -0.130 0.000 1.220 430 Y CA 0.477 58.516 58.100 -0.101 0.000 1.430 430 Y CB 0.427 38.807 38.460 -0.134 0.000 1.311 430 Y HN 0.348 nan 8.280 nan 0.000 0.575 431 K N 1.390 121.804 120.400 0.024 0.000 2.393 431 K HA 0.268 4.588 4.320 0.001 0.000 0.193 431 K C 0.518 176.903 176.600 -0.359 0.000 1.026 431 K CA 0.403 56.662 56.287 -0.047 0.000 1.064 431 K CB 0.472 33.035 32.500 0.105 0.000 0.833 431 K HN 0.873 nan 8.250 nan 0.000 0.521 432 G N 1.295 109.708 108.800 -0.644 0.000 2.441 432 G HA2 0.181 4.141 3.960 0.001 0.000 0.294 432 G HA3 0.181 4.141 3.960 0.001 0.000 0.294 432 G C -3.181 171.288 174.900 -0.718 0.000 1.393 432 G CA -1.070 43.326 45.100 -1.173 0.000 0.796 432 G HN -0.294 nan 8.290 nan 0.000 0.494 433 P HA 0.405 nan 4.420 nan 0.000 0.269 433 P C 0.419 177.539 177.300 -0.300 0.000 1.215 433 P CA 0.280 63.202 63.100 -0.296 0.000 0.780 433 P CB 0.771 32.382 31.700 -0.150 0.000 0.898 434 A N 2.712 125.351 122.820 -0.302 0.000 2.507 434 A HA 0.066 4.387 4.320 0.001 0.000 0.235 434 A C -0.325 177.123 177.584 -0.228 0.000 1.070 434 A CA 0.047 51.892 52.037 -0.320 0.000 0.768 434 A CB -0.683 18.163 19.000 -0.257 0.000 1.011 434 A HN 0.433 nan 8.150 nan 0.000 0.502 435 Y N 1.584 121.800 120.300 -0.140 0.000 2.640 435 Y HA 0.375 4.925 4.550 0.000 0.000 0.355 435 Y C 1.311 176.718 175.900 -0.822 0.000 1.088 435 Y CA 0.367 58.226 58.100 -0.402 0.000 1.443 435 Y CB -0.356 37.964 38.460 -0.234 0.000 1.224 435 Y HN 0.731 nan 8.280 nan 0.000 0.516 436 T N -2.219 111.897 114.554 -0.730 0.000 2.883 436 T HA 0.726 5.077 4.350 0.001 0.000 0.296 436 T C 0.922 175.315 174.700 -0.511 0.000 1.117 436 T CA -0.441 61.237 62.100 -0.703 0.000 1.006 436 T CB 1.633 70.383 68.868 -0.197 0.000 1.191 436 T HN 0.349 nan 8.240 nan 0.000 0.508 437 A N 0.714 123.473 122.820 -0.102 0.000 1.877 437 A HA -0.031 4.289 4.320 0.001 0.000 0.216 437 A C 1.906 179.446 177.584 -0.073 0.000 1.186 437 A CA 2.303 54.366 52.037 0.044 0.000 0.620 437 A CB -1.352 17.639 19.000 -0.015 0.000 0.822 437 A HN 1.005 nan 8.150 nan 0.000 0.443 438 D N -0.450 119.840 120.400 -0.183 0.000 2.117 438 D HA -0.150 4.490 4.640 0.001 0.000 0.197 438 D C 1.710 178.066 176.300 0.093 0.000 0.987 438 D CA 1.481 55.470 54.000 -0.019 0.000 0.829 438 D CB -0.169 40.640 40.800 0.014 0.000 0.961 438 D HN 0.337 nan 8.370 nan 0.000 0.460 439 N N -0.210 118.507 118.700 0.028 0.000 2.104 439 N HA -0.087 4.654 4.740 0.001 0.000 0.190 439 N C 1.851 177.390 175.510 0.048 0.000 1.024 439 N CA 1.436 54.508 53.050 0.036 0.000 0.853 439 N CB -0.871 37.605 38.487 -0.018 0.000 1.008 439 N HN 0.351 nan 8.380 nan 0.000 0.424 440 G N 1.637 110.453 108.800 0.027 0.000 2.433 440 G HA2 -0.158 3.802 3.960 0.001 0.000 0.216 440 G HA3 -0.158 3.802 3.960 0.001 0.000 0.216 440 G C 1.479 176.408 174.900 0.049 0.000 1.186 440 G CA 0.376 45.503 45.100 0.044 0.000 0.779 440 G HN 0.160 nan 8.290 nan 0.000 0.543 441 I N 0.886 121.505 120.570 0.082 0.000 2.163 441 I HA -0.143 4.028 4.170 0.001 0.000 0.243 441 I C 2.879 179.041 176.117 0.075 0.000 1.085 441 I CA 1.087 62.447 61.300 0.100 0.000 1.347 441 I CB -1.013 37.116 38.000 0.215 0.000 1.044 441 I HN 0.208 nan 8.210 nan 0.000 0.408 442 Q N 0.361 120.227 119.800 0.109 0.000 2.124 442 Q HA -0.108 4.232 4.340 0.001 0.000 0.202 442 Q C 2.446 178.469 176.000 0.037 0.000 0.977 442 Q CA 1.200 57.051 55.803 0.079 0.000 0.850 442 Q CB -0.494 28.316 28.738 0.120 0.000 0.901 442 Q HN 0.511 nan 8.270 nan 0.000 0.429 443 L N -0.092 121.158 121.223 0.045 0.000 2.083 443 L HA -0.171 4.169 4.340 0.001 0.000 0.209 443 L C 2.348 179.231 176.870 0.021 0.000 1.083 443 L CA 0.731 55.596 54.840 0.042 0.000 0.752 443 L CB -0.380 41.718 42.059 0.064 0.000 0.899 443 L HN 0.173 nan 8.230 nan 0.000 0.433 444 L N -0.818 120.401 121.223 -0.006 0.000 2.027 444 L HA -0.218 4.123 4.340 0.001 0.000 0.206 444 L C 2.444 179.275 176.870 -0.064 0.000 1.074 444 L CA 1.130 55.946 54.840 -0.040 0.000 0.745 444 L CB -0.408 41.593 42.059 -0.097 0.000 0.898 444 L HN 0.226 nan 8.230 nan 0.000 0.433 445 L N -0.405 120.755 121.223 -0.106 0.000 2.083 445 L HA -0.198 4.142 4.340 0.001 0.000 0.209 445 L C 2.823 179.545 176.870 -0.246 0.000 1.083 445 L CA 1.078 55.762 54.840 -0.260 0.000 0.752 445 L CB -0.749 41.094 42.059 -0.359 0.000 0.899 445 L HN 0.251 nan 8.230 nan 0.000 0.433 446 A N -0.698 122.083 122.820 -0.066 0.000 2.019 446 A HA -0.218 4.102 4.320 0.001 0.000 0.219 446 A C 2.205 179.800 177.584 0.020 0.000 1.164 446 A CA 1.290 53.343 52.037 0.028 0.000 0.644 446 A CB -0.361 18.667 19.000 0.047 0.000 0.805 446 A HN 0.484 nan 8.150 nan 0.000 0.449 447 Q N -1.943 117.862 119.800 0.009 0.000 2.369 447 Q HA 0.108 4.448 4.340 0.001 0.000 0.206 447 Q C 1.252 177.259 176.000 0.012 0.000 0.963 447 Q CA 0.712 56.531 55.803 0.027 0.000 0.894 447 Q CB -0.009 28.768 28.738 0.066 0.000 0.965 447 Q HN 0.920 nan 8.270 nan 0.000 0.475 448 G N 0.102 108.887 108.800 -0.025 0.000 2.168 448 G HA2 -0.203 3.758 3.960 0.001 0.000 0.197 448 G HA3 -0.203 3.758 3.960 0.001 0.000 0.197 448 G C 0.077 174.948 174.900 -0.049 0.000 0.997 448 G CA -0.114 44.965 45.100 -0.034 0.000 0.658 448 G HN 0.164 nan 8.290 nan 0.000 0.513 449 V N 3.400 123.284 119.914 -0.051 0.000 2.529 449 V HA 0.332 4.452 4.120 0.001 0.000 0.292 449 V C -0.964 175.076 176.094 -0.090 0.000 1.028 449 V CA -0.584 61.686 62.300 -0.050 0.000 1.074 449 V CB 0.881 32.679 31.823 -0.043 0.000 0.958 449 V HN 0.308 nan 8.190 nan 0.000 0.481 450 P HA 0.170 nan 4.420 nan 0.000 0.276 450 P C 0.498 177.760 177.300 -0.063 0.000 1.230 450 P CA -0.169 62.890 63.100 -0.068 0.000 0.776 450 P CB 1.281 32.952 31.700 -0.049 0.000 0.888 451 A N 4.451 127.233 122.820 -0.063 0.000 1.948 451 A HA -0.247 4.073 4.320 0.001 0.000 0.220 451 A C 1.637 179.214 177.584 -0.012 0.000 1.177 451 A CA 2.121 54.132 52.037 -0.043 0.000 0.636 451 A CB -1.406 17.572 19.000 -0.037 0.000 0.815 451 A HN 0.704 nan 8.150 nan 0.000 0.449 452 N N -0.709 117.989 118.700 -0.003 0.000 2.571 452 N HA -0.046 4.695 4.740 0.001 0.000 0.189 452 N C 0.796 176.336 175.510 0.049 0.000 1.154 452 N CA 1.003 54.069 53.050 0.027 0.000 0.907 452 N CB -0.186 38.315 38.487 0.024 0.000 0.977 452 N HN 0.551 nan 8.380 nan 0.000 0.449 453 K N -0.352 120.055 120.400 0.012 0.000 2.374 453 K HA 0.278 4.599 4.320 0.001 0.000 0.202 453 K C -0.171 176.442 176.600 0.023 0.000 1.040 453 K CA -0.162 56.129 56.287 0.007 0.000 1.085 453 K CB 0.773 33.224 32.500 -0.083 0.000 0.873 453 K HN 0.157 nan 8.250 nan 0.000 0.539 454 L N 2.206 123.433 121.223 0.006 0.000 2.276 454 L HA 0.281 4.621 4.340 0.001 0.000 0.286 454 L C -0.475 176.405 176.870 0.017 0.000 1.061 454 L CA -0.811 54.022 54.840 -0.012 0.000 0.807 454 L CB 1.554 43.608 42.059 -0.009 0.000 1.177 454 L HN -0.242 nan 8.230 nan 0.000 0.429 455 V N 4.490 124.410 119.914 0.009 0.000 2.448 455 V HA 0.306 4.427 4.120 0.001 0.000 0.295 455 V C -0.130 176.180 176.094 0.360 0.000 1.025 455 V CA -0.679 61.697 62.300 0.128 0.000 0.859 455 V CB 1.890 33.735 31.823 0.038 0.000 0.988 455 V HN 0.437 nan 8.190 nan 0.000 0.431 456 L N 4.590 126.003 121.223 0.318 0.000 2.305 456 L HA 0.750 5.090 4.340 0.001 0.000 0.281 456 L C 0.762 177.747 176.870 0.191 0.000 1.085 456 L CA 0.512 55.510 54.840 0.263 0.000 0.813 456 L CB 0.990 43.161 42.059 0.187 0.000 1.157 456 L HN 0.761 nan 8.230 nan 0.000 0.436 457 G N 3.258 112.062 108.800 0.007 0.000 2.353 457 G HA2 0.492 4.453 3.960 0.001 0.000 0.284 457 G HA3 0.492 4.453 3.960 0.001 0.000 0.284 457 G C -0.636 174.152 174.900 -0.186 0.000 1.172 457 G CA -0.275 44.522 45.100 -0.505 0.000 0.854 457 G HN 0.642 nan 8.290 nan 0.000 0.485 458 T N 0.964 115.420 114.554 -0.163 0.000 2.823 458 T HA 0.616 4.967 4.350 0.001 0.000 0.279 458 T C 0.255 174.955 174.700 -0.000 0.000 0.998 458 T CA -0.191 61.882 62.100 -0.044 0.000 0.994 458 T CB 1.832 70.656 68.868 -0.073 0.000 0.960 458 T HN 0.808 nan 8.240 nan 0.000 0.448 459 A N 3.162 125.949 122.820 -0.055 0.000 2.289 459 A HA 0.585 4.905 4.320 0.001 0.000 0.298 459 A C 0.581 178.095 177.584 -0.117 0.000 1.208 459 A CA -0.624 51.272 52.037 -0.235 0.000 0.845 459 A CB 0.067 18.733 19.000 -0.557 0.000 1.125 459 A HN 0.955 nan 8.150 nan 0.000 0.517 460 M N 2.546 122.168 119.600 0.036 0.000 2.637 460 M HA 0.243 4.723 4.480 0.001 0.000 0.286 460 M C -0.984 175.484 176.300 0.280 0.000 1.246 460 M CA 0.189 55.549 55.300 0.101 0.000 0.978 460 M CB -0.470 32.154 32.600 0.041 0.000 1.417 460 M HN 0.775 nan 8.290 nan 0.000 0.487 461 Y N -3.420 116.953 120.300 0.121 0.000 2.609 461 Y HA 0.856 5.407 4.550 0.000 0.000 0.336 461 Y C -0.549 175.460 175.900 0.181 0.000 1.129 461 Y CA -1.819 56.365 58.100 0.140 0.000 1.040 461 Y CB 0.387 38.913 38.460 0.110 0.000 1.310 461 Y HN -0.064 nan 8.280 nan 0.000 0.460 462 G N 1.519 110.453 108.800 0.222 0.000 2.454 462 G HA2 0.720 4.680 3.960 0.001 0.000 0.329 462 G HA3 0.720 4.680 3.960 0.001 0.000 0.329 462 G C -1.321 173.689 174.900 0.184 0.000 1.177 462 G CA -1.439 43.767 45.100 0.177 0.000 0.951 462 G HN 0.686 nan 8.290 nan 0.000 0.485 463 R N -0.733 119.809 120.500 0.071 0.000 2.732 463 R HA 0.733 5.073 4.340 0.001 0.000 0.278 463 R C -0.165 175.935 176.300 -0.334 0.000 0.976 463 R CA -0.545 55.486 56.100 -0.115 0.000 0.963 463 R CB 2.325 32.523 30.300 -0.170 0.000 1.150 463 R HN 0.725 nan 8.270 nan 0.000 0.478 464 G N 0.619 109.074 108.800 -0.574 0.000 2.692 464 G HA2 0.542 4.502 3.960 0.001 0.000 0.291 464 G HA3 0.542 4.502 3.960 0.001 0.000 0.291 464 G C -1.776 172.746 174.900 -0.630 0.000 1.423 464 G CA -0.565 44.245 45.100 -0.484 0.000 0.843 464 G HN 0.359 nan 8.290 nan 0.000 0.486 465 W N -0.065 121.253 121.300 0.030 0.000 2.975 465 W HA 0.557 5.217 4.660 -0.000 0.000 0.342 465 W C -0.112 176.440 176.519 0.055 0.000 1.168 465 W CA -0.621 56.729 57.345 0.008 0.000 1.141 465 W CB 2.242 31.673 29.460 -0.049 0.000 1.445 465 W HN 0.841 nan 8.180 nan 0.000 0.560 466 E N -0.951 119.415 120.200 0.277 0.000 2.339 466 E HA 0.640 4.990 4.350 0.001 0.000 0.262 466 E C 0.598 177.290 176.600 0.153 0.000 0.934 466 E CA -0.542 55.973 56.400 0.193 0.000 0.802 466 E CB 1.944 31.720 29.700 0.126 0.000 1.275 466 E HN 0.560 nan 8.360 nan 0.000 0.427 467 G N 0.077 108.944 108.800 0.111 0.000 2.148 467 G HA2 -0.271 3.690 3.960 0.001 0.000 0.254 467 G HA3 -0.271 3.690 3.960 0.001 0.000 0.254 467 G C 0.215 175.152 174.900 0.063 0.000 0.981 467 G CA 0.157 45.301 45.100 0.073 0.000 0.670 467 G HN 0.432 nan 8.290 nan 0.000 0.528 468 V N 3.019 122.991 119.914 0.097 0.000 2.055 468 V HA 0.350 4.470 4.120 0.001 0.000 0.248 468 V C 1.310 177.548 176.094 0.240 0.000 1.476 468 V CA 0.547 62.878 62.300 0.052 0.000 1.417 468 V CB -0.699 31.067 31.823 -0.094 0.000 1.465 468 V HN 0.649 nan 8.190 nan 0.000 0.502 469 T N 1.865 116.507 114.554 0.147 0.000 2.913 469 T HA 0.322 4.672 4.350 0.001 0.000 0.287 469 T C -1.585 173.236 174.700 0.203 0.000 1.008 469 T CA -1.941 60.259 62.100 0.165 0.000 1.067 469 T CB 1.527 70.431 68.868 0.059 0.000 0.996 469 T HN 0.230 nan 8.240 nan 0.000 0.513 470 P HA -0.160 nan 4.420 nan 0.000 0.217 470 P C 1.387 178.747 177.300 0.100 0.000 1.148 470 P CA 1.158 64.404 63.100 0.243 0.000 0.828 470 P CB -0.049 31.744 31.700 0.154 0.000 0.783 471 D N -1.251 119.183 120.400 0.056 0.000 2.310 471 D HA -0.119 4.522 4.640 0.001 0.000 0.212 471 D C 1.294 177.592 176.300 -0.002 0.000 0.965 471 D CA 1.653 55.665 54.000 0.020 0.000 0.879 471 D CB -0.912 39.895 40.800 0.011 0.000 0.921 471 D HN 0.253 nan 8.370 nan 0.000 0.510 472 T N -1.673 112.874 114.554 -0.011 0.000 3.081 472 T HA 0.129 4.479 4.350 0.001 0.000 0.255 472 T C 0.859 175.505 174.700 -0.090 0.000 1.113 472 T CA -0.451 61.617 62.100 -0.053 0.000 1.082 472 T CB -0.163 68.661 68.868 -0.072 0.000 0.939 472 T HN -0.100 nan 8.240 nan 0.000 0.506 473 L N 3.405 124.578 121.223 -0.084 0.000 2.331 473 L HA 0.351 4.692 4.340 0.001 0.000 0.278 473 L C 1.879 178.698 176.870 -0.085 0.000 1.106 473 L CA 0.228 54.991 54.840 -0.129 0.000 0.824 473 L CB 1.346 43.321 42.059 -0.141 0.000 1.142 473 L HN 0.375 nan 8.230 nan 0.000 0.443 474 T N -2.097 112.400 114.554 -0.095 0.000 2.937 474 T HA 0.005 4.355 4.350 0.001 0.000 0.260 474 T C 0.586 175.255 174.700 -0.051 0.000 1.051 474 T CA 0.249 62.313 62.100 -0.061 0.000 1.141 474 T CB -0.020 68.815 68.868 -0.055 0.000 0.879 474 T HN 0.437 nan 8.240 nan 0.000 0.459 475 D N 2.835 123.193 120.400 -0.071 0.000 2.392 475 D HA 0.290 4.931 4.640 0.001 0.000 0.228 475 D C -1.707 174.558 176.300 -0.058 0.000 1.074 475 D CA -2.751 51.218 54.000 -0.052 0.000 0.838 475 D CB 2.082 42.851 40.800 -0.051 0.000 1.067 475 D HN 0.008 nan 8.370 nan 0.000 0.511 476 P HA -0.078 nan 4.420 nan 0.000 0.225 476 P C 0.376 177.717 177.300 0.070 0.000 1.148 476 P CA 0.744 63.863 63.100 0.030 0.000 0.779 476 P CB 0.521 32.251 31.700 0.049 0.000 0.780 477 N N -0.571 118.160 118.700 0.052 0.000 2.205 477 N HA 0.017 4.758 4.740 0.001 0.000 0.201 477 N C -0.181 175.360 175.510 0.051 0.000 1.128 477 N CA 0.183 53.303 53.050 0.117 0.000 0.867 477 N CB 0.461 39.030 38.487 0.136 0.000 0.996 477 N HN 0.112 nan 8.380 nan 0.000 0.503 478 D N 1.157 121.479 120.400 -0.130 0.000 2.420 478 D HA 0.205 4.846 4.640 0.001 0.000 0.255 478 D C -1.787 174.130 176.300 -0.639 0.000 1.185 478 D CA -2.114 51.713 54.000 -0.288 0.000 0.904 478 D CB 1.860 42.584 40.800 -0.127 0.000 1.102 478 D HN -0.075 nan 8.370 nan 0.000 0.534 479 P HA -0.114 nan 4.420 nan 0.000 0.225 479 P C 1.371 178.025 177.300 -1.077 0.000 1.148 479 P CA 0.489 62.706 63.100 -1.472 0.000 0.779 479 P CB 0.167 30.475 31.700 -2.319 0.000 0.780 480 M N -0.195 118.818 119.600 -0.979 0.000 2.632 480 M HA -0.014 4.466 4.480 0.001 0.000 0.256 480 M C 1.469 177.338 176.300 -0.719 0.000 1.080 480 M CA 1.388 56.102 55.300 -0.977 0.000 1.084 480 M CB -1.709 30.237 32.600 -1.089 0.000 1.439 480 M HN 0.077 nan 8.290 nan 0.000 0.509 481 T N -2.971 111.283 114.554 -0.500 0.000 3.105 481 T HA 0.359 4.710 4.350 0.001 0.000 0.253 481 T C 0.933 175.442 174.700 -0.317 0.000 1.047 481 T CA 0.057 61.975 62.100 -0.303 0.000 0.944 481 T CB -0.042 68.716 68.868 -0.183 0.000 1.016 481 T HN 0.274 nan 8.240 nan 0.000 0.544 482 G N 0.500 109.037 108.800 -0.439 0.000 2.531 482 G HA2 0.571 4.532 3.960 0.001 0.000 0.281 482 G HA3 0.571 4.532 3.960 0.001 0.000 0.281 482 G C -1.005 173.686 174.900 -0.348 0.000 1.382 482 G CA -0.593 44.290 45.100 -0.362 0.000 1.045 482 G HN 0.328 nan 8.290 nan 0.000 0.533 483 T N -0.262 114.125 114.554 -0.278 0.000 2.971 483 T HA 0.617 4.968 4.350 0.001 0.000 0.304 483 T C 0.066 174.643 174.700 -0.206 0.000 1.038 483 T CA 0.018 61.968 62.100 -0.249 0.000 1.007 483 T CB 1.590 70.368 68.868 -0.150 0.000 1.055 483 T HN 0.873 nan 8.240 nan 0.000 0.451 484 A N 1.597 124.274 122.820 -0.237 0.000 2.271 484 A HA 0.663 4.984 4.320 0.001 0.000 0.288 484 A C 1.437 179.014 177.584 -0.010 0.000 1.094 484 A CA -0.075 51.900 52.037 -0.103 0.000 0.828 484 A CB 0.239 19.194 19.000 -0.074 0.000 1.091 484 A HN 0.952 nan 8.150 nan 0.000 0.493 485 T N -2.510 112.071 114.554 0.046 0.000 3.014 485 T HA 0.520 4.870 4.350 0.001 0.000 0.250 485 T C 0.753 175.501 174.700 0.080 0.000 1.060 485 T CA 0.772 62.902 62.100 0.050 0.000 1.040 485 T CB 0.000 68.893 68.868 0.042 0.000 0.971 485 T HN 1.932 nan 8.240 nan 0.000 0.497 486 G N 0.412 109.288 108.800 0.125 0.000 2.340 486 G HA2 0.444 4.404 3.960 0.001 0.000 0.299 486 G HA3 0.444 4.404 3.960 0.001 0.000 0.299 486 G C -1.867 173.132 174.900 0.165 0.000 1.291 486 G CA -1.184 43.995 45.100 0.132 0.000 0.841 486 G HN 0.248 nan 8.290 nan 0.000 0.500 487 K N -0.429 120.023 120.400 0.086 0.000 2.219 487 K HA 0.427 4.748 4.320 0.001 0.000 0.258 487 K C -0.016 176.594 176.600 0.016 0.000 1.008 487 K CA -0.550 55.737 56.287 -0.001 0.000 0.928 487 K CB 1.417 33.903 32.500 -0.023 0.000 0.983 487 K HN 0.357 nan 8.250 nan 0.000 0.484 488 L N 2.125 123.327 121.223 -0.035 0.000 2.499 488 L HA 0.007 4.348 4.340 0.001 0.000 0.273 488 L C -0.622 176.249 176.870 0.001 0.000 1.195 488 L CA 0.861 55.709 54.840 0.013 0.000 0.882 488 L CB 0.090 42.145 42.059 -0.007 0.000 1.133 488 L HN 0.409 nan 8.230 nan 0.000 0.483 489 K N 2.874 123.283 120.400 0.016 0.000 2.238 489 K HA 0.964 5.285 4.320 0.001 0.000 0.239 489 K C -0.161 176.419 176.600 -0.034 0.000 0.987 489 K CA -0.128 56.154 56.287 -0.008 0.000 0.857 489 K CB 1.906 34.406 32.500 0.001 0.000 1.154 489 K HN 0.855 nan 8.250 nan 0.000 0.439 490 G N -0.713 108.044 108.800 -0.071 0.000 2.317 490 G HA2 0.274 4.235 3.960 0.001 0.000 0.293 490 G HA3 0.274 4.235 3.960 0.001 0.000 0.293 490 G C -1.459 173.336 174.900 -0.175 0.000 1.287 490 G CA -0.578 44.447 45.100 -0.124 0.000 0.850 490 G HN 0.632 nan 8.290 nan 0.000 0.515 491 S N -1.578 113.973 115.700 -0.248 0.000 2.651 491 S HA 0.606 5.076 4.470 0.001 0.000 0.291 491 S C 1.535 175.871 174.600 -0.439 0.000 1.141 491 S CA 0.794 58.819 58.200 -0.291 0.000 1.027 491 S CB 1.517 64.555 63.200 -0.270 0.000 1.043 491 S HN 1.815 nan 8.310 nan 0.000 0.530 492 T N -1.300 112.937 114.554 -0.529 0.000 2.962 492 T HA 0.012 4.363 4.350 0.001 0.000 0.270 492 T C 1.931 176.204 174.700 -0.712 0.000 1.088 492 T CA 0.841 62.354 62.100 -0.978 0.000 1.127 492 T CB -0.859 67.326 68.868 -1.138 0.000 0.883 492 T HN 0.886 nan 8.240 nan 0.000 0.493 493 A N 1.732 124.308 122.820 -0.407 0.000 1.978 493 A HA -0.095 4.225 4.320 0.001 0.000 0.220 493 A C 2.290 179.698 177.584 -0.292 0.000 1.170 493 A CA 1.304 53.198 52.037 -0.240 0.000 0.636 493 A CB -0.625 18.267 19.000 -0.180 0.000 0.810 493 A HN 0.650 nan 8.150 nan 0.000 0.448 494 Q N -1.789 117.692 119.800 -0.532 0.000 2.320 494 Q HA 0.277 4.618 4.340 0.001 0.000 0.201 494 Q C 0.923 176.749 176.000 -0.291 0.000 0.910 494 Q CA 0.316 55.724 55.803 -0.659 0.000 0.946 494 Q CB 0.279 28.489 28.738 -0.880 0.000 1.062 494 Q HN 0.879 nan 8.270 nan 0.000 0.503 495 G N 0.598 109.206 108.800 -0.320 0.000 2.141 495 G HA2 -0.226 3.734 3.960 0.001 0.000 0.242 495 G HA3 -0.226 3.734 3.960 0.001 0.000 0.242 495 G C 0.051 174.772 174.900 -0.299 0.000 0.982 495 G CA -0.074 44.908 45.100 -0.197 0.000 0.662 495 G HN 0.220 nan 8.290 nan 0.000 0.527 496 V N 0.377 120.016 119.914 -0.459 0.000 2.339 496 V HA 0.433 4.553 4.120 0.001 0.000 0.261 496 V C 1.029 176.881 176.094 -0.404 0.000 1.058 496 V CA -0.053 62.074 62.300 -0.289 0.000 0.897 496 V CB 0.254 31.958 31.823 -0.199 0.000 1.052 496 V HN 0.423 nan 8.190 nan 0.000 0.480 497 W N 2.249 123.553 121.300 0.006 0.000 2.907 497 W HA 0.342 5.003 4.660 0.001 0.000 0.271 497 W C 0.969 177.496 176.519 0.014 0.000 1.253 497 W CA -0.209 57.148 57.345 0.020 0.000 1.501 497 W CB 0.777 30.265 29.460 0.046 0.000 1.047 497 W HN 0.469 nan 8.180 nan 0.000 0.610 498 E N 0.509 120.820 120.200 0.184 0.000 2.343 498 E HA 0.114 4.465 4.350 0.001 0.000 0.278 498 E C -1.261 175.374 176.600 0.059 0.000 0.910 498 E CA -0.751 55.714 56.400 0.108 0.000 0.757 498 E CB 1.273 31.041 29.700 0.114 0.000 1.218 498 E HN -0.337 nan 8.360 nan 0.000 0.435 499 D N 1.761 122.182 120.400 0.035 0.000 2.525 499 D HA 0.210 4.851 4.640 0.001 0.000 0.235 499 D C 1.078 177.378 176.300 0.000 0.000 1.137 499 D CA 2.146 56.152 54.000 0.011 0.000 0.868 499 D CB 0.905 41.714 40.800 0.015 0.000 1.180 499 D HN 0.793 nan 8.370 nan 0.000 0.465 500 G N 0.600 109.375 108.800 -0.041 0.000 2.176 500 G HA2 -0.207 3.753 3.960 0.001 0.000 0.253 500 G HA3 -0.207 3.753 3.960 0.001 0.000 0.253 500 G C 0.048 174.900 174.900 -0.081 0.000 0.979 500 G CA 0.329 45.358 45.100 -0.118 0.000 0.641 500 G HN 0.532 nan 8.290 nan 0.000 0.530 501 V N 0.800 120.718 119.914 0.007 0.000 2.709 501 V HA 0.821 4.941 4.120 0.001 0.000 0.308 501 V C -0.168 175.987 176.094 0.102 0.000 1.062 501 V CA -0.632 61.721 62.300 0.088 0.000 0.901 501 V CB 2.296 34.184 31.823 0.108 0.000 1.003 501 V HN 0.547 nan 8.190 nan 0.000 0.425 502 I N 1.760 122.418 120.570 0.146 0.000 2.607 502 I HA 0.495 4.665 4.170 0.001 0.000 0.290 502 I C -0.909 175.314 176.117 0.178 0.000 1.129 502 I CA -0.442 60.923 61.300 0.108 0.000 1.042 502 I CB 2.088 40.087 38.000 -0.001 0.000 1.242 502 I HN 0.595 nan 8.210 nan 0.000 0.421 503 D N 5.653 126.173 120.400 0.199 0.000 2.525 503 D HA -0.088 4.553 4.640 0.001 0.000 0.235 503 D C 0.511 176.884 176.300 0.122 0.000 1.137 503 D CA 0.477 54.601 54.000 0.207 0.000 0.868 503 D CB 0.611 41.551 40.800 0.234 0.000 1.180 503 D HN 0.534 nan 8.370 nan 0.000 0.465 504 Y N 3.630 123.970 120.300 0.066 0.000 2.114 504 Y HA -0.330 4.221 4.550 0.001 0.000 0.282 504 Y C 2.145 178.035 175.900 -0.017 0.000 1.165 504 Y CA 2.297 60.397 58.100 -0.000 0.000 1.148 504 Y CB 0.047 38.534 38.460 0.045 0.000 0.972 504 Y HN 0.466 nan 8.280 nan 0.000 0.504 505 K N -0.695 119.651 120.400 -0.091 0.000 2.209 505 K HA -0.072 4.248 4.320 0.001 0.000 0.204 505 K C 2.236 178.744 176.600 -0.152 0.000 1.048 505 K CA 1.471 57.666 56.287 -0.154 0.000 0.940 505 K CB -0.948 31.584 32.500 0.053 0.000 0.729 505 K HN 0.386 nan 8.250 nan 0.000 0.451 506 G N 2.054 110.821 108.800 -0.055 0.000 2.404 506 G HA2 -0.147 3.813 3.960 0.001 0.000 0.215 506 G HA3 -0.147 3.813 3.960 0.001 0.000 0.215 506 G C 1.553 176.424 174.900 -0.049 0.000 1.174 506 G CA 0.830 45.965 45.100 0.057 0.000 0.780 506 G HN 0.233 nan 8.290 nan 0.000 0.537 507 I N 0.633 121.039 120.570 -0.274 0.000 2.163 507 I HA -0.204 3.967 4.170 0.001 0.000 0.243 507 I C 2.674 178.526 176.117 -0.442 0.000 1.085 507 I CA 1.650 62.688 61.300 -0.437 0.000 1.347 507 I CB -0.180 37.390 38.000 -0.717 0.000 1.044 507 I HN 0.116 nan 8.210 nan 0.000 0.408 508 K N 1.223 121.271 120.400 -0.586 0.000 2.026 508 K HA -0.130 4.190 4.320 0.001 0.000 0.208 508 K C 2.137 178.547 176.600 -0.315 0.000 1.048 508 K CA 2.017 58.027 56.287 -0.461 0.000 0.929 508 K CB -0.367 31.800 32.500 -0.556 0.000 0.713 508 K HN 0.114 nan 8.250 nan 0.000 0.439 509 S N -0.834 114.669 115.700 -0.329 0.000 2.406 509 S HA 0.033 4.503 4.470 0.001 0.000 0.228 509 S C 1.148 175.331 174.600 -0.696 0.000 1.020 509 S CA 1.073 58.964 58.200 -0.515 0.000 0.965 509 S CB -0.177 62.638 63.200 -0.641 0.000 0.798 509 S HN 0.319 nan 8.310 nan 0.000 0.488 510 F N -1.146 118.692 119.950 -0.186 0.000 2.789 510 F HA 0.436 4.964 4.527 0.002 0.000 0.320 510 F C 1.450 177.116 175.800 -0.224 0.000 1.079 510 F CA -0.052 57.847 58.000 -0.169 0.000 1.205 510 F CB 0.214 39.114 39.000 -0.166 0.000 1.046 510 F HN 0.072 nan 8.300 nan 0.000 0.586 511 M N -1.218 118.278 119.600 -0.175 0.000 2.627 511 M HA 0.240 4.720 4.480 0.001 0.000 0.236 511 M C 1.594 177.849 176.300 -0.076 0.000 1.483 511 M CA 0.887 56.006 55.300 -0.302 0.000 1.139 511 M CB -0.099 32.093 32.600 -0.681 0.000 1.399 511 M HN -0.052 nan 8.290 nan 0.000 0.549 512 L N -0.480 120.682 121.223 -0.103 0.000 2.130 512 L HA 0.362 4.703 4.340 0.001 0.000 0.200 512 L C 1.160 178.002 176.870 -0.045 0.000 1.075 512 L CA 0.705 55.524 54.840 -0.034 0.000 0.768 512 L CB -0.552 41.465 42.059 -0.071 0.000 0.933 512 L HN 0.504 nan 8.230 nan 0.000 0.451 513 G N -0.970 107.773 108.800 -0.095 0.000 2.725 513 G HA2 -0.232 3.728 3.960 0.001 0.000 0.220 513 G HA3 -0.232 3.728 3.960 0.001 0.000 0.220 513 G C 0.595 175.442 174.900 -0.088 0.000 1.357 513 G CA -0.081 44.965 45.100 -0.090 0.000 0.866 513 G HN 0.333 nan 8.290 nan 0.000 0.548 514 A N -0.747 122.027 122.820 -0.075 0.000 1.940 514 A HA 0.061 4.381 4.320 0.001 0.000 0.219 514 A C 1.610 179.154 177.584 -0.067 0.000 1.176 514 A CA 2.401 54.398 52.037 -0.068 0.000 0.631 514 A CB -0.161 18.805 19.000 -0.057 0.000 0.814 514 A HN 0.931 nan 8.150 nan 0.000 0.446 515 N N -0.307 118.351 118.700 -0.069 0.000 2.571 515 N HA 0.102 4.842 4.740 0.001 0.000 0.298 515 N C -0.752 174.687 175.510 -0.117 0.000 1.671 515 N CA -0.169 52.831 53.050 -0.084 0.000 0.900 515 N CB 0.309 38.757 38.487 -0.064 0.000 1.365 515 N HN 0.271 nan 8.380 nan 0.000 0.493 516 N N -0.638 117.976 118.700 -0.144 0.000 2.693 516 N HA -0.159 4.582 4.740 0.001 0.000 0.249 516 N C 0.746 176.198 175.510 -0.097 0.000 1.119 516 N CA 1.279 54.189 53.050 -0.233 0.000 0.717 516 N CB -1.537 36.588 38.487 -0.602 0.000 1.071 516 N HN 0.298 nan 8.380 nan 0.000 0.555 517 T N -0.952 113.589 114.554 -0.021 0.000 2.951 517 T HA 0.212 4.562 4.350 0.001 0.000 0.268 517 T C 1.139 175.900 174.700 0.103 0.000 1.073 517 T CA 1.076 63.200 62.100 0.039 0.000 1.134 517 T CB -0.161 68.721 68.868 0.024 0.000 0.884 517 T HN 0.872 nan 8.240 nan 0.000 0.479 518 G N 1.715 110.581 108.800 0.111 0.000 3.190 518 G HA2 -0.024 3.937 3.960 0.001 0.000 0.686 518 G HA3 -0.024 3.937 3.960 0.001 0.000 0.686 518 G C -0.611 174.376 174.900 0.145 0.000 1.033 518 G CA -0.453 44.756 45.100 0.181 0.000 0.797 518 G HN 0.729 nan 8.290 nan 0.000 0.567 519 I N -1.095 119.571 120.570 0.159 0.000 3.108 519 I HA 0.795 4.966 4.170 0.001 0.000 0.312 519 I C 0.591 176.848 176.117 0.234 0.000 1.095 519 I CA -1.227 60.154 61.300 0.136 0.000 1.000 519 I CB 2.087 40.123 38.000 0.060 0.000 1.229 519 I HN 0.514 nan 8.210 nan 0.000 0.454 520 N N 2.389 121.200 118.700 0.184 0.000 2.721 520 N HA -0.205 4.536 4.740 0.001 0.000 0.249 520 N C 0.862 176.510 175.510 0.231 0.000 1.072 520 N CA 1.419 54.600 53.050 0.218 0.000 0.710 520 N CB -1.322 37.327 38.487 0.269 0.000 0.993 520 N HN 1.460 nan 8.380 nan 0.000 0.547 521 G N -2.154 106.719 108.800 0.121 0.000 2.176 521 G HA2 -0.325 3.635 3.960 0.001 0.000 0.253 521 G HA3 -0.325 3.635 3.960 0.001 0.000 0.253 521 G C -0.010 174.813 174.900 -0.129 0.000 0.979 521 G CA 0.264 45.338 45.100 -0.044 0.000 0.641 521 G HN 0.364 nan 8.290 nan 0.000 0.530 522 F N 1.902 121.884 119.950 0.052 0.000 2.379 522 F HA 0.570 5.097 4.527 0.001 0.000 0.332 522 F C 0.806 176.694 175.800 0.147 0.000 1.096 522 F CA -0.271 57.795 58.000 0.111 0.000 1.105 522 F CB 1.114 40.209 39.000 0.158 0.000 1.189 522 F HN 0.337 nan 8.300 nan 0.000 0.515 523 E N 2.137 122.574 120.200 0.395 0.000 2.212 523 E HA 0.304 4.655 4.350 0.001 0.000 0.268 523 E C -1.852 175.036 176.600 0.481 0.000 0.902 523 E CA -0.925 55.700 56.400 0.374 0.000 0.779 523 E CB 1.896 31.779 29.700 0.305 0.000 1.172 523 E HN 0.658 nan 8.360 nan 0.000 0.409 524 Y N 1.765 122.190 120.300 0.207 0.000 2.304 524 Y HA 0.548 5.099 4.550 0.001 0.000 0.328 524 Y C -0.175 175.574 175.900 -0.252 0.000 1.123 524 Y CA 0.051 58.193 58.100 0.071 0.000 1.218 524 Y CB 1.434 39.940 38.460 0.077 0.000 1.207 524 Y HN 0.722 nan 8.280 nan 0.000 0.495 525 G N 4.267 112.115 108.800 -1.587 0.000 2.619 525 G HA2 0.443 4.404 3.960 0.001 0.000 0.296 525 G HA3 0.443 4.404 3.960 0.001 0.000 0.296 525 G C -2.672 171.079 174.900 -1.915 0.000 1.334 525 G CA -0.722 43.121 45.100 -2.095 0.000 0.934 525 G HN 0.608 nan 8.290 nan 0.000 0.476 526 Y N 0.703 120.322 120.300 -1.135 0.000 2.433 526 Y HA 0.444 4.994 4.550 0.001 0.000 0.337 526 Y C -1.239 174.509 175.900 -0.253 0.000 1.026 526 Y CA -0.949 56.760 58.100 -0.652 0.000 1.037 526 Y CB 2.537 40.763 38.460 -0.389 0.000 1.245 526 Y HN 0.487 nan 8.280 nan 0.000 0.443 527 D N 4.528 124.629 120.400 -0.498 0.000 2.428 527 D HA 0.329 4.969 4.640 0.001 0.000 0.221 527 D C 0.557 176.725 176.300 -0.220 0.000 1.123 527 D CA 0.379 54.267 54.000 -0.187 0.000 0.869 527 D CB 1.539 42.291 40.800 -0.080 0.000 1.032 527 D HN 0.783 nan 8.370 nan 0.000 0.506 528 A N 3.874 126.749 122.820 0.091 0.000 2.015 528 A HA -0.184 4.136 4.320 0.001 0.000 0.219 528 A C 1.915 179.565 177.584 0.109 0.000 1.163 528 A CA 1.282 53.444 52.037 0.209 0.000 0.646 528 A CB -0.336 18.776 19.000 0.187 0.000 0.806 528 A HN 0.676 nan 8.150 nan 0.000 0.448 529 Q N -0.466 119.366 119.800 0.053 0.000 2.046 529 Q HA -0.092 4.249 4.340 0.001 0.000 0.200 529 Q C 2.069 178.115 176.000 0.076 0.000 0.975 529 Q CA 1.616 57.439 55.803 0.033 0.000 0.836 529 Q CB -0.302 28.445 28.738 0.015 0.000 0.896 529 Q HN 0.578 nan 8.270 nan 0.000 0.428 530 A N 0.081 122.913 122.820 0.020 0.000 2.072 530 A HA -0.040 4.281 4.320 0.001 0.000 0.216 530 A C 0.060 177.608 177.584 -0.059 0.000 1.156 530 A CA 0.643 52.679 52.037 -0.002 0.000 0.701 530 A CB 0.133 19.044 19.000 -0.148 0.000 0.816 530 A HN 0.504 nan 8.150 nan 0.000 0.458 531 E N -1.524 118.611 120.200 -0.108 0.000 2.302 531 E HA -0.178 4.173 4.350 0.001 0.000 0.186 531 E C -0.234 176.125 176.600 -0.403 0.000 1.444 531 E CA 0.881 57.218 56.400 -0.104 0.000 0.671 531 E CB -2.145 27.602 29.700 0.080 0.000 1.122 531 E HN 1.126 nan 8.360 nan 0.000 0.366 532 A N 1.378 123.607 122.820 -0.984 0.000 2.465 532 A HA 0.688 5.008 4.320 0.001 0.000 0.292 532 A C -2.727 174.223 177.584 -1.058 0.000 1.041 532 A CA -1.160 50.363 52.037 -0.856 0.000 0.718 532 A CB 2.135 20.608 19.000 -0.878 0.000 1.266 532 A HN 0.009 nan 8.150 nan 0.000 0.403 533 P HA 0.671 nan 4.420 nan 0.000 0.283 533 P C -0.855 176.154 177.300 -0.484 0.000 1.271 533 P CA -0.322 62.414 63.100 -0.606 0.000 0.841 533 P CB 0.963 32.445 31.700 -0.363 0.000 1.122 534 W N 0.208 121.353 121.300 -0.258 0.000 3.118 534 W HA 0.559 5.220 4.660 0.001 0.000 0.328 534 W C -1.810 174.952 176.519 0.403 0.000 1.239 534 W CA -1.324 56.084 57.345 0.105 0.000 1.176 534 W CB 0.963 30.482 29.460 0.098 0.000 1.433 534 W HN 0.219 nan 8.180 nan 0.000 0.562 535 V N -0.704 119.819 119.914 1.014 0.000 2.628 535 V HA 0.795 4.915 4.120 0.001 0.000 0.306 535 V C -1.848 174.869 176.094 1.039 0.000 1.045 535 V CA -0.495 62.354 62.300 0.914 0.000 0.905 535 V CB 2.255 34.447 31.823 0.616 0.000 0.997 535 V HN 0.698 nan 8.190 nan 0.000 0.436 536 W N 4.440 126.193 121.300 0.755 0.000 3.042 536 W HA 0.567 5.228 4.660 0.000 0.000 0.337 536 W C -1.139 175.457 176.519 0.128 0.000 1.086 536 W CA -1.018 56.572 57.345 0.408 0.000 1.236 536 W CB 1.804 31.389 29.460 0.208 0.000 1.381 536 W HN 0.779 nan 8.180 nan 0.000 0.472 537 N N 5.247 123.694 118.700 -0.422 0.000 2.485 537 N HA 0.226 4.967 4.740 0.001 0.000 0.243 537 N C 0.995 175.989 175.510 -0.861 0.000 0.987 537 N CA -0.033 52.498 53.050 -0.864 0.000 0.940 537 N CB 0.927 38.576 38.487 -1.397 0.000 1.122 537 N HN 0.682 nan 8.380 nan 0.000 0.509 538 R N 0.986 120.886 120.500 -0.999 0.000 2.096 538 R HA -0.127 4.214 4.340 0.001 0.000 0.235 538 R C 1.929 177.959 176.300 -0.450 0.000 1.127 538 R CA 1.928 57.449 56.100 -0.966 0.000 0.968 538 R CB 0.055 29.856 30.300 -0.832 0.000 0.861 538 R HN 0.660 nan 8.270 nan 0.000 0.440 539 S N -0.176 115.312 115.700 -0.352 0.000 2.357 539 S HA -0.121 4.349 4.470 0.001 0.000 0.221 539 S C 2.104 176.611 174.600 -0.155 0.000 1.031 539 S CA 1.448 59.523 58.200 -0.208 0.000 0.982 539 S CB -0.498 62.598 63.200 -0.173 0.000 0.853 539 S HN 0.428 nan 8.310 nan 0.000 0.458 540 T N -2.490 111.954 114.554 -0.183 0.000 3.067 540 T HA 0.435 4.785 4.350 0.001 0.000 0.257 540 T C 1.684 176.362 174.700 -0.036 0.000 1.105 540 T CA 0.726 62.766 62.100 -0.100 0.000 1.104 540 T CB -0.532 68.274 68.868 -0.103 0.000 0.925 540 T HN 1.287 nan 8.240 nan 0.000 0.498 541 G N 1.442 110.215 108.800 -0.045 0.000 2.143 541 G HA2 -0.243 3.718 3.960 0.001 0.000 0.248 541 G HA3 -0.243 3.718 3.960 0.001 0.000 0.248 541 G C -0.291 174.746 174.900 0.227 0.000 0.991 541 G CA 0.061 45.244 45.100 0.138 0.000 0.689 541 G HN 0.665 nan 8.290 nan 0.000 0.522 542 E N -0.475 119.811 120.200 0.144 0.000 2.257 542 E HA 0.503 4.854 4.350 0.001 0.000 0.278 542 E C -0.156 176.747 176.600 0.504 0.000 1.049 542 E CA -0.384 56.186 56.400 0.283 0.000 0.876 542 E CB 1.240 31.104 29.700 0.273 0.000 1.035 542 E HN 0.270 nan 8.360 nan 0.000 0.419 543 L N 5.143 126.669 121.223 0.505 0.000 2.410 543 L HA 0.526 4.866 4.340 0.001 0.000 0.270 543 L C -1.554 175.617 176.870 0.501 0.000 0.983 543 L CA -0.396 54.749 54.840 0.508 0.000 0.822 543 L CB 1.356 43.557 42.059 0.236 0.000 1.285 543 L HN 0.470 nan 8.230 nan 0.000 0.409 544 I N 3.431 124.309 120.570 0.514 0.000 2.466 544 I HA 0.388 4.558 4.170 0.001 0.000 0.289 544 I C -0.373 176.102 176.117 0.598 0.000 1.026 544 I CA -0.519 61.042 61.300 0.434 0.000 1.078 544 I CB 2.212 40.392 38.000 0.300 0.000 1.249 544 I HN 0.592 nan 8.210 nan 0.000 0.429 545 T N 6.546 121.378 114.554 0.464 0.000 2.794 545 T HA 0.782 5.132 4.350 0.001 0.000 0.280 545 T C -0.763 174.182 174.700 0.408 0.000 0.987 545 T CA -0.244 62.106 62.100 0.418 0.000 0.993 545 T CB 0.459 69.523 68.868 0.327 0.000 0.939 545 T HN 0.446 nan 8.240 nan 0.000 0.449 546 F N 1.244 121.278 119.950 0.140 0.000 2.985 546 F HA 0.726 5.254 4.527 0.001 0.000 0.322 546 F C -1.297 174.537 175.800 0.056 0.000 1.187 546 F CA -1.441 56.595 58.000 0.061 0.000 0.910 546 F CB 0.460 39.545 39.000 0.142 0.000 1.411 546 F HN 0.246 nan 8.300 nan 0.000 0.492 547 D N 1.199 121.688 120.400 0.148 0.000 2.168 547 D HA 0.368 5.008 4.640 0.001 0.000 0.246 547 D C -1.077 175.343 176.300 0.200 0.000 1.050 547 D CA 0.210 54.229 54.000 0.032 0.000 0.857 547 D CB 1.640 42.422 40.800 -0.030 0.000 1.169 547 D HN 0.692 nan 8.370 nan 0.000 0.453 548 D N -0.550 119.927 120.400 0.128 0.000 2.687 548 D HA 0.078 4.718 4.640 0.001 0.000 0.264 548 D C 1.060 177.438 176.300 0.131 0.000 1.091 548 D CA -0.482 53.671 54.000 0.256 0.000 1.123 548 D CB 0.328 41.410 40.800 0.470 0.000 1.407 548 D HN 0.350 nan 8.370 nan 0.000 0.591 549 H N -0.110 119.001 119.070 0.069 0.000 2.289 549 H HA -0.150 4.406 4.556 0.001 0.000 0.294 549 H C 2.164 177.501 175.328 0.016 0.000 1.095 549 H CA 2.932 58.993 56.048 0.021 0.000 1.256 549 H CB 0.238 30.015 29.762 0.024 0.000 1.359 549 H HN 0.384 nan 8.280 nan 0.000 0.487 550 R N -0.041 120.507 120.500 0.079 0.000 2.070 550 R HA -0.153 4.188 4.340 0.001 0.000 0.233 550 R C 2.636 178.945 176.300 0.015 0.000 1.137 550 R CA 1.919 57.994 56.100 -0.041 0.000 0.945 550 R CB -0.359 29.782 30.300 -0.264 0.000 0.845 550 R HN 0.549 nan 8.270 nan 0.000 0.430 551 S N -0.501 115.296 115.700 0.162 0.000 2.399 551 S HA -0.078 4.393 4.470 0.001 0.000 0.231 551 S C 2.010 176.613 174.600 0.005 0.000 1.022 551 S CA 1.315 59.603 58.200 0.146 0.000 0.983 551 S CB -0.328 62.929 63.200 0.094 0.000 0.803 551 S HN 0.179 nan 8.310 nan 0.000 0.480 552 V N 2.061 121.946 119.914 -0.048 0.000 2.453 552 V HA -0.018 4.102 4.120 0.001 0.000 0.247 552 V C 2.550 178.575 176.094 -0.116 0.000 1.048 552 V CA 1.321 63.565 62.300 -0.093 0.000 1.049 552 V CB -0.885 30.865 31.823 -0.121 0.000 0.672 552 V HN 0.448 nan 8.190 nan 0.000 0.457 553 L N 0.306 121.424 121.223 -0.176 0.000 2.042 553 L HA -0.226 4.114 4.340 0.001 0.000 0.210 553 L C 2.765 179.609 176.870 -0.043 0.000 1.076 553 L CA 1.809 56.561 54.840 -0.147 0.000 0.749 553 L CB -0.795 41.151 42.059 -0.188 0.000 0.893 553 L HN 0.399 nan 8.230 nan 0.000 0.432 554 A N -0.078 122.737 122.820 -0.009 0.000 1.902 554 A HA -0.215 4.106 4.320 0.001 0.000 0.217 554 A C 2.317 179.927 177.584 0.044 0.000 1.181 554 A CA 1.618 53.682 52.037 0.045 0.000 0.623 554 A CB -0.331 18.713 19.000 0.075 0.000 0.818 554 A HN 0.316 nan 8.150 nan 0.000 0.443 555 K N -0.814 119.581 120.400 -0.008 0.000 2.057 555 K HA -0.107 4.213 4.320 0.001 0.000 0.207 555 K C 2.156 178.806 176.600 0.083 0.000 1.049 555 K CA 1.110 57.397 56.287 0.001 0.000 0.931 555 K CB -0.455 32.019 32.500 -0.043 0.000 0.714 555 K HN 0.475 nan 8.250 nan 0.000 0.440 556 G N 1.732 110.548 108.800 0.027 0.000 2.421 556 G HA2 -0.269 3.691 3.960 0.001 0.000 0.216 556 G HA3 -0.269 3.691 3.960 0.001 0.000 0.216 556 G C 1.287 176.217 174.900 0.050 0.000 1.171 556 G CA 0.854 45.964 45.100 0.017 0.000 0.775 556 G HN 0.207 nan 8.290 nan 0.000 0.543 557 N N -0.170 118.567 118.700 0.062 0.000 2.104 557 N HA -0.148 4.593 4.740 0.001 0.000 0.190 557 N C 1.787 177.368 175.510 0.117 0.000 1.024 557 N CA 1.264 54.361 53.050 0.077 0.000 0.853 557 N CB -0.673 37.863 38.487 0.081 0.000 1.008 557 N HN 0.509 nan 8.380 nan 0.000 0.424 558 Y N 1.337 121.652 120.300 0.025 0.000 2.128 558 Y HA -0.159 4.391 4.550 0.001 0.000 0.284 558 Y C 2.289 178.207 175.900 0.031 0.000 1.154 558 Y CA 1.947 60.070 58.100 0.038 0.000 1.149 558 Y CB -0.496 37.969 38.460 0.007 0.000 0.976 558 Y HN 0.086 nan 8.280 nan 0.000 0.505 559 A N 0.295 123.198 122.820 0.140 0.000 1.908 559 A HA -0.234 4.087 4.320 0.001 0.000 0.218 559 A C 2.299 179.868 177.584 -0.025 0.000 1.181 559 A CA 2.027 54.089 52.037 0.042 0.000 0.627 559 A CB -0.772 18.284 19.000 0.093 0.000 0.818 559 A HN 0.541 nan 8.150 nan 0.000 0.445 560 K N -0.380 120.018 120.400 -0.003 0.000 2.057 560 K HA -0.083 4.237 4.320 0.001 0.000 0.206 560 K C 2.271 178.856 176.600 -0.025 0.000 1.050 560 K CA 1.409 57.692 56.287 -0.007 0.000 0.935 560 K CB -0.148 32.356 32.500 0.007 0.000 0.715 560 K HN 0.439 nan 8.250 nan 0.000 0.439 561 S N 1.176 116.851 115.700 -0.042 0.000 2.368 561 S HA -0.073 4.397 4.470 0.001 0.000 0.225 561 S C 1.702 176.253 174.600 -0.082 0.000 1.030 561 S CA 0.979 59.148 58.200 -0.051 0.000 0.999 561 S CB -0.100 63.074 63.200 -0.044 0.000 0.844 561 S HN 0.285 nan 8.310 nan 0.000 0.459 562 L N 0.559 121.682 121.223 -0.167 0.000 2.478 562 L HA 0.125 4.465 4.340 0.001 0.000 0.223 562 L C 1.567 178.395 176.870 -0.070 0.000 1.140 562 L CA 0.475 55.224 54.840 -0.152 0.000 0.842 562 L CB -0.751 41.128 42.059 -0.300 0.000 0.953 562 L HN 0.534 nan 8.230 nan 0.000 0.452 563 G N 1.050 109.820 108.800 -0.050 0.000 2.198 563 G HA2 -0.266 3.694 3.960 0.001 0.000 0.257 563 G HA3 -0.266 3.694 3.960 0.001 0.000 0.257 563 G C 0.214 175.108 174.900 -0.010 0.000 1.042 563 G CA -0.132 44.958 45.100 -0.016 0.000 0.791 563 G HN 0.227 nan 8.290 nan 0.000 0.502 564 L N -0.830 120.383 121.223 -0.018 0.000 2.476 564 L HA 0.395 4.735 4.340 0.001 0.000 0.264 564 L C 2.223 179.110 176.870 0.027 0.000 1.224 564 L CA 0.069 54.913 54.840 0.008 0.000 0.821 564 L CB 0.198 42.272 42.059 0.025 0.000 1.101 564 L HN 0.263 nan 8.230 nan 0.000 0.488 565 A N 1.332 124.178 122.820 0.043 0.000 1.978 565 A HA 0.219 4.539 4.320 0.001 0.000 0.220 565 A C 1.056 178.642 177.584 0.004 0.000 1.170 565 A CA 1.686 53.756 52.037 0.055 0.000 0.636 565 A CB -0.462 18.599 19.000 0.102 0.000 0.810 565 A HN 1.042 nan 8.150 nan 0.000 0.448 566 G N -2.718 106.089 108.800 0.012 0.000 2.403 566 G HA2 0.364 4.324 3.960 0.001 0.000 0.223 566 G HA3 0.364 4.324 3.960 0.001 0.000 0.223 566 G C -1.322 173.621 174.900 0.072 0.000 1.287 566 G CA -0.426 44.682 45.100 0.014 0.000 0.982 566 G HN 0.505 nan 8.290 nan 0.000 0.471 567 L N 0.406 121.677 121.223 0.080 0.000 2.354 567 L HA 0.875 5.215 4.340 0.001 0.000 0.264 567 L C -0.433 176.602 176.870 0.275 0.000 1.008 567 L CA -0.974 53.953 54.840 0.144 0.000 0.819 567 L CB 2.082 44.159 42.059 0.030 0.000 1.339 567 L HN 0.811 nan 8.230 nan 0.000 0.420 568 F N -0.018 120.024 119.950 0.152 0.000 2.650 568 F HA 0.909 5.437 4.527 0.001 0.000 0.320 568 F C -0.723 175.212 175.800 0.224 0.000 1.091 568 F CA -0.868 57.234 58.000 0.170 0.000 0.962 568 F CB 1.831 40.948 39.000 0.194 0.000 1.363 568 F HN 0.424 nan 8.300 nan 0.000 0.482 569 S N 0.891 116.642 115.700 0.085 0.000 2.556 569 S HA 0.551 5.021 4.470 0.001 0.000 0.271 569 S C -2.155 172.635 174.600 0.317 0.000 1.135 569 S CA -0.620 57.608 58.200 0.046 0.000 0.858 569 S CB 1.984 65.211 63.200 0.044 0.000 1.114 569 S HN 1.225 nan 8.310 nan 0.000 0.468 570 W N 3.433 124.741 121.300 0.013 0.000 2.683 570 W HA 0.522 5.182 4.660 0.000 0.000 0.329 570 W C -1.409 175.095 176.519 -0.026 0.000 1.037 570 W CA -0.516 56.818 57.345 -0.018 0.000 1.232 570 W CB 1.789 31.126 29.460 -0.205 0.000 1.390 570 W HN 1.066 nan 8.180 nan 0.000 0.465 571 E N 3.493 123.323 120.200 -0.617 0.000 2.256 571 E HA 0.319 4.669 4.350 0.001 0.000 0.267 571 E C 0.743 177.029 176.600 -0.523 0.000 0.892 571 E CA -0.745 55.114 56.400 -0.900 0.000 0.775 571 E CB 2.069 30.731 29.700 -1.730 0.000 1.207 571 E HN 0.328 nan 8.360 nan 0.000 0.420 572 I N 0.364 120.678 120.570 -0.428 0.000 2.335 572 I HA -0.268 3.902 4.170 0.001 0.000 0.251 572 I C 1.836 177.569 176.117 -0.640 0.000 1.129 572 I CA 1.496 62.592 61.300 -0.340 0.000 1.402 572 I CB -0.904 37.007 38.000 -0.148 0.000 1.069 572 I HN 0.648 nan 8.210 nan 0.000 0.424 573 D N 2.046 121.821 120.400 -1.042 0.000 2.263 573 D HA -0.164 4.477 4.640 0.001 0.000 0.208 573 D C 1.918 177.888 176.300 -0.549 0.000 0.971 573 D CA 1.378 54.557 54.000 -1.367 0.000 0.867 573 D CB 0.011 40.137 40.800 -1.124 0.000 0.929 573 D HN 0.532 nan 8.370 nan 0.000 0.492 574 A N 0.299 122.907 122.820 -0.354 0.000 2.218 574 A HA 0.029 4.350 4.320 0.001 0.000 0.209 574 A C 0.720 178.338 177.584 0.057 0.000 1.168 574 A CA -0.013 51.973 52.037 -0.085 0.000 0.804 574 A CB 0.012 18.989 19.000 -0.038 0.000 0.834 574 A HN 0.092 nan 8.150 nan 0.000 0.482 575 D N 0.054 120.459 120.400 0.009 0.000 2.264 575 D HA 0.223 4.864 4.640 0.001 0.000 0.249 575 D C 0.679 177.076 176.300 0.162 0.000 1.070 575 D CA -0.179 53.899 54.000 0.130 0.000 0.912 575 D CB 0.728 41.558 40.800 0.050 0.000 1.193 575 D HN 0.259 nan 8.370 nan 0.000 0.427 576 N N 2.038 120.882 118.700 0.240 0.000 2.236 576 N HA 0.177 4.917 4.740 0.001 0.000 0.196 576 N C 1.145 176.751 175.510 0.161 0.000 1.114 576 N CA 0.491 53.651 53.050 0.184 0.000 0.859 576 N CB 0.901 39.484 38.487 0.161 0.000 0.982 576 N HN 0.555 nan 8.380 nan 0.000 0.493 577 G N 0.262 109.157 108.800 0.159 0.000 2.352 577 G HA2 -0.267 3.694 3.960 0.001 0.000 0.204 577 G HA3 -0.267 3.694 3.960 0.001 0.000 0.204 577 G C 0.596 175.578 174.900 0.136 0.000 1.004 577 G CA 0.251 45.433 45.100 0.137 0.000 0.648 577 G HN 0.277 nan 8.290 nan 0.000 0.491 578 D N 1.036 121.529 120.400 0.155 0.000 2.116 578 D HA -0.079 4.562 4.640 0.001 0.000 0.193 578 D C 2.578 178.896 176.300 0.029 0.000 0.998 578 D CA 1.354 55.433 54.000 0.132 0.000 0.836 578 D CB -0.084 40.849 40.800 0.222 0.000 0.951 578 D HN 0.401 nan 8.370 nan 0.000 0.449 579 I N 0.329 120.826 120.570 -0.122 0.000 2.193 579 I HA -0.152 4.018 4.170 0.001 0.000 0.240 579 I C 2.426 178.521 176.117 -0.035 0.000 1.084 579 I CA 0.535 61.737 61.300 -0.163 0.000 1.365 579 I CB -1.075 36.769 38.000 -0.259 0.000 1.064 579 I HN 0.045 nan 8.210 nan 0.000 0.410 580 L N 1.533 122.774 121.223 0.030 0.000 2.083 580 L HA -0.165 4.175 4.340 0.001 0.000 0.209 580 L C 2.116 179.073 176.870 0.145 0.000 1.083 580 L CA 1.705 56.605 54.840 0.100 0.000 0.752 580 L CB -0.970 41.174 42.059 0.142 0.000 0.899 580 L HN 0.192 nan 8.230 nan 0.000 0.433 581 N N 0.273 119.066 118.700 0.156 0.000 2.043 581 N HA -0.174 4.566 4.740 0.001 0.000 0.193 581 N C 1.849 177.394 175.510 0.060 0.000 1.037 581 N CA 1.818 54.989 53.050 0.202 0.000 0.851 581 N CB -0.627 38.041 38.487 0.301 0.000 1.027 581 N HN 0.494 nan 8.380 nan 0.000 0.422 582 A N 0.667 123.522 122.820 0.057 0.000 1.972 582 A HA -0.078 4.242 4.320 0.001 0.000 0.219 582 A C 2.278 179.776 177.584 -0.144 0.000 1.169 582 A CA 1.189 53.161 52.037 -0.107 0.000 0.635 582 A CB -0.477 18.401 19.000 -0.204 0.000 0.810 582 A HN 0.223 nan 8.150 nan 0.000 0.446 583 M N -1.444 118.092 119.600 -0.106 0.000 2.086 583 M HA -0.159 4.321 4.480 0.001 0.000 0.261 583 M C 2.181 178.344 176.300 -0.228 0.000 1.067 583 M CA 1.537 56.751 55.300 -0.143 0.000 1.116 583 M CB -0.551 31.976 32.600 -0.122 0.000 1.348 583 M HN 0.500 nan 8.290 nan 0.000 0.407 584 H N -0.239 118.643 119.070 -0.314 0.000 2.357 584 H HA -0.082 4.474 4.556 0.001 0.000 0.301 584 H C 1.872 176.973 175.328 -0.377 0.000 1.082 584 H CA 1.473 57.238 56.048 -0.471 0.000 1.342 584 H CB -0.099 29.013 29.762 -1.084 0.000 1.389 584 H HN 0.520 nan 8.280 nan 0.000 0.511 585 E N -0.049 120.024 120.200 -0.211 0.000 2.208 585 E HA -0.070 4.280 4.350 0.001 0.000 0.193 585 E C 2.427 178.997 176.600 -0.050 0.000 0.988 585 E CA 0.494 56.863 56.400 -0.052 0.000 0.828 585 E CB -0.015 29.722 29.700 0.063 0.000 0.763 585 E HN 0.423 nan 8.360 nan 0.000 0.478 586 G N 1.032 109.774 108.800 -0.096 0.000 2.408 586 G HA2 -0.201 3.760 3.960 0.001 0.000 0.217 586 G HA3 -0.201 3.760 3.960 0.001 0.000 0.217 586 G C 1.483 176.358 174.900 -0.042 0.000 1.150 586 G CA 0.348 45.404 45.100 -0.073 0.000 0.776 586 G HN 0.077 nan 8.290 nan 0.000 0.542 587 M N 1.006 120.568 119.600 -0.063 0.000 2.562 587 M HA 0.256 4.737 4.480 0.001 0.000 0.257 587 M C 2.675 178.968 176.300 -0.011 0.000 1.099 587 M CA 0.538 55.812 55.300 -0.042 0.000 1.099 587 M CB -0.513 32.038 32.600 -0.081 0.000 1.427 587 M HN 0.318 nan 8.290 nan 0.000 0.489 588 A N 0.126 122.945 122.820 -0.001 0.000 1.878 588 A HA 0.318 4.639 4.320 0.001 0.000 0.213 588 A C 1.567 179.170 177.584 0.032 0.000 1.192 588 A CA 1.134 53.190 52.037 0.031 0.000 0.619 588 A CB -0.918 18.118 19.000 0.059 0.000 0.837 588 A HN 0.440 nan 8.150 nan 0.000 0.446 594 P HA 0.387 nan 4.420 nan 0.000 0.270 594 P C -2.442 174.871 177.300 0.021 0.000 1.223 594 P CA -1.001 62.106 63.100 0.013 0.000 0.785 594 P CB -0.389 31.314 31.700 0.004 0.000 0.923 595 P HA 0.026 nan 4.420 nan 0.000 0.267 595 P C -0.094 177.225 177.300 0.032 0.000 1.200 595 P CA -0.119 63.002 63.100 0.036 0.000 0.772 595 P CB 0.253 31.971 31.700 0.030 0.000 0.855 596 N N 1.662 120.397 118.700 0.059 0.000 2.454 596 N HA -0.041 4.700 4.740 0.001 0.000 0.260 596 N C 0.968 176.503 175.510 0.040 0.000 1.218 596 N CA 0.010 53.095 53.050 0.059 0.000 0.904 596 N CB 0.472 39.065 38.487 0.176 0.000 1.065 596 N HN 0.243 nan 8.380 nan 0.000 0.462 597 R N 2.255 122.750 120.500 -0.008 0.000 2.250 597 R HA 0.331 4.671 4.340 0.001 0.000 0.194 597 R C -0.414 175.889 176.300 0.004 0.000 0.927 597 R CA 0.786 56.883 56.100 -0.005 0.000 1.052 597 R CB 0.410 30.693 30.300 -0.027 0.000 1.055 597 R HN 0.468 nan 8.270 nan 0.000 0.537 598 R N -0.164 120.326 120.500 -0.017 0.000 2.698 598 R HA 0.319 4.659 4.340 0.001 0.000 0.275 598 R C -0.378 175.983 176.300 0.102 0.000 1.001 598 R CA -0.250 55.858 56.100 0.013 0.000 0.896 598 R CB 1.867 32.138 30.300 -0.048 0.000 1.218 598 R HN 0.280 nan 8.270 nan 0.000 0.462 599 S N 0.525 116.356 115.700 0.218 0.000 2.484 599 S HA 0.151 4.621 4.470 0.001 0.000 0.256 599 S C 0.264 175.074 174.600 0.350 0.000 1.223 599 S CA -0.058 58.366 58.200 0.373 0.000 1.002 599 S CB 0.067 63.495 63.200 0.379 0.000 1.043 599 S HN 0.787 nan 8.310 nan 0.000 0.517 600 H N 1.753 120.901 119.070 0.129 0.000 2.756 600 H HA -0.143 4.414 4.556 0.001 0.000 0.315 600 H C 0.237 175.632 175.328 0.111 0.000 1.210 600 H CA 1.198 57.294 56.048 0.080 0.000 1.150 600 H CB -2.098 27.693 29.762 0.048 0.000 1.463 600 H HN 0.956 nan 8.280 nan 0.000 0.427 601 H N -1.535 117.505 119.070 -0.051 0.000 2.887 601 H HA 0.133 4.690 4.556 0.001 0.000 0.290 601 H C -1.120 174.134 175.328 -0.124 0.000 1.429 601 H CA -0.766 55.230 56.048 -0.085 0.000 1.137 601 H CB 0.707 30.413 29.762 -0.094 0.000 1.824 601 H HN 0.190 nan 8.280 nan 0.000 0.520 602 H N 2.136 120.826 119.070 -0.634 0.000 3.089 602 H HA 0.143 4.700 4.556 0.001 0.000 0.262 602 H C -0.454 174.362 175.328 -0.853 0.000 1.160 602 H CA 0.184 55.907 56.048 -0.542 0.000 1.482 602 H CB -0.644 28.972 29.762 -0.243 0.000 1.511 602 H HN 0.394 nan 8.280 nan 0.000 0.483 603 H N 4.836 123.771 119.070 -0.225 0.000 2.899 603 H HA 0.111 4.668 4.556 0.001 0.000 0.303 603 H C -0.031 175.345 175.328 0.081 0.000 1.042 603 H CA 0.423 56.399 56.048 -0.119 0.000 1.479 603 H CB 0.237 29.956 29.762 -0.072 0.000 1.493 603 H HN 0.736 nan 8.280 nan 0.000 0.534 604 H N 1.782 120.844 119.070 -0.014 0.000 3.079 604 H HA 0.179 4.735 4.556 0.001 0.000 0.356 604 H C -0.367 174.910 175.328 -0.085 0.000 1.221 604 H CA -0.608 55.389 56.048 -0.085 0.000 1.185 604 H CB 1.003 30.620 29.762 -0.241 0.000 1.882 604 H HN 0.589 nan 8.280 nan 0.000 0.543 605 H N 0.000 118.986 119.070 -0.140 0.000 2.539 605 H HA 0.000 4.556 4.556 0.001 0.000 0.296 605 H CA 0.000 56.038 56.048 -0.018 0.000 1.023 605 H CB 0.000 29.708 29.762 -0.091 0.000 1.292 605 H HN 0.000 nan 8.280 nan 0.000 0.496