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 1euz_1_C DATA FIRST_RESID 4 DATA SEQUENCE IDPFEMAVKQ LERAAQYMDI SEEALEWLKK PMRIVEVSVP IEMDDGSVKV DATA SEQUENCE FTGFRVQHNW ARGPTKGGIR WHPAETLSTV KALATWMTWK VAVVDLPYGG DATA SEQUENCE GKGGIIVNPK ELSEREQERL ARAYIRAVYD VIGPWTDIPA PDVYTNPKIM DATA SEQUENCE GWMMDEYETI MRRKGPAFGV ITGKPLSIGG SLGRGTATAQ GAIFTIREAA DATA SEQUENCE KALGIDLKGK KIAVQGYGNA GYYTAKLAKE QLGMTVVAVS DSRGGIYNPD DATA SEQUENCE GLDPDEVLKW KREHGSVKDF PGATNITNEE LLELEVDVLA PAAIEEVITE DATA SEQUENCE KNADNIKAKI VAEVANGPVT PEADDILREK GILQIPDFLC NAGGVTVSYF DATA SEQUENCE EWVQNINGYY WTEEEVREKL DKKMTKAFWE VYNTHKDKNI HMRDAAYVVA DATA SEQUENCE VSRVYQAMKD RGWVKK 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.166 176.117 0.081 0.000 1.063 4 I CA 0.000 61.345 61.300 0.075 0.000 1.566 4 I CB 0.000 38.044 38.000 0.073 0.000 1.214 5 D N 3.131 123.568 120.400 0.062 0.000 2.149 5 D HA -0.109 4.531 4.640 -0.000 0.000 0.198 5 D C -0.235 176.112 176.300 0.077 0.000 0.990 5 D CA 2.019 56.052 54.000 0.055 0.000 0.839 5 D CB -1.383 39.448 40.800 0.052 0.000 0.948 5 D HN 0.297 nan 8.370 nan 0.000 0.460 6 P HA -0.030 nan 4.420 nan 0.000 0.215 6 P C 1.425 178.811 177.300 0.143 0.000 1.157 6 P CA 0.670 63.865 63.100 0.159 0.000 0.863 6 P CB -0.246 31.549 31.700 0.159 0.000 0.787 7 F N 0.566 120.486 119.950 -0.052 0.000 2.113 7 F HA -0.218 4.309 4.527 -0.000 0.000 0.297 7 F C 2.604 178.327 175.800 -0.129 0.000 1.103 7 F CA 1.807 59.734 58.000 -0.122 0.000 1.248 7 F CB -0.467 38.475 39.000 -0.097 0.000 0.999 7 F HN -0.092 nan 8.300 nan 0.000 0.475 8 E N 0.908 121.012 120.200 -0.160 0.000 2.085 8 E HA -0.337 4.013 4.350 -0.000 0.000 0.194 8 E C 1.995 178.473 176.600 -0.204 0.000 0.994 8 E CA 1.742 57.999 56.400 -0.237 0.000 0.801 8 E CB -1.074 28.569 29.700 -0.095 0.000 0.743 8 E HN 0.689 nan 8.360 nan 0.000 0.453 9 M N -0.080 119.466 119.600 -0.090 0.000 2.159 9 M HA -0.005 4.475 4.480 -0.000 0.000 0.263 9 M C 2.619 178.849 176.300 -0.117 0.000 1.063 9 M CA 1.946 57.239 55.300 -0.011 0.000 1.110 9 M CB -0.117 32.575 32.600 0.153 0.000 1.374 9 M HN 0.402 nan 8.290 nan 0.000 0.411 10 A N -0.171 122.399 122.820 -0.416 0.000 1.877 10 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 10 A C 2.042 179.315 177.584 -0.519 0.000 1.186 10 A CA 1.960 53.461 52.037 -0.894 0.000 0.620 10 A CB -1.207 17.165 19.000 -1.047 0.000 0.822 10 A HN 0.423 nan 8.150 nan 0.000 0.443 11 V N 0.637 120.231 119.914 -0.533 0.000 2.287 11 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 11 V C 2.543 178.487 176.094 -0.249 0.000 1.053 11 V CA 2.228 64.280 62.300 -0.415 0.000 1.027 11 V CB -0.676 30.828 31.823 -0.531 0.000 0.646 11 V HN 0.434 nan 8.190 nan 0.000 0.447 12 K N 0.222 120.494 120.400 -0.213 0.000 2.063 12 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 12 K C 2.512 179.031 176.600 -0.135 0.000 1.048 12 K CA 2.058 58.261 56.287 -0.140 0.000 0.928 12 K CB -0.817 31.626 32.500 -0.095 0.000 0.713 12 K HN 0.673 nan 8.250 nan 0.000 0.442 13 Q N 1.284 121.010 119.800 -0.124 0.000 2.124 13 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 13 Q C 2.137 177.936 176.000 -0.336 0.000 0.977 13 Q CA 1.673 57.372 55.803 -0.174 0.000 0.850 13 Q CB -0.822 27.950 28.738 0.057 0.000 0.901 13 Q HN 0.318 nan 8.270 nan 0.000 0.429 14 L N 0.694 121.770 121.223 -0.245 0.000 2.046 14 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 14 L C 2.158 178.896 176.870 -0.220 0.000 1.077 14 L CA 2.685 57.366 54.840 -0.265 0.000 0.747 14 L CB -0.569 41.436 42.059 -0.091 0.000 0.896 14 L HN 0.559 nan 8.230 nan 0.000 0.432 15 E N -0.517 119.583 120.200 -0.167 0.000 2.160 15 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 15 E C 2.287 178.809 176.600 -0.132 0.000 0.991 15 E CA 1.221 57.540 56.400 -0.136 0.000 0.810 15 E CB -0.233 29.397 29.700 -0.117 0.000 0.742 15 E HN 0.481 nan 8.360 nan 0.000 0.466 16 R N 0.619 121.036 120.500 -0.140 0.000 2.075 16 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 16 R C 2.213 178.517 176.300 0.006 0.000 1.126 16 R CA 1.189 57.244 56.100 -0.076 0.000 0.963 16 R CB -0.139 30.122 30.300 -0.066 0.000 0.858 16 R HN 0.148 nan 8.270 nan 0.000 0.435 17 A N 0.744 123.496 122.820 -0.113 0.000 1.969 17 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 17 A C 2.286 179.886 177.584 0.026 0.000 1.169 17 A CA 1.406 53.434 52.037 -0.016 0.000 0.635 17 A CB -0.586 18.274 19.000 -0.233 0.000 0.810 17 A HN 0.513 nan 8.150 nan 0.000 0.445 18 A N -0.338 122.429 122.820 -0.089 0.000 2.076 18 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 18 A C 1.959 179.467 177.584 -0.127 0.000 1.160 18 A CA 1.470 53.440 52.037 -0.110 0.000 0.653 18 A CB -0.510 18.412 19.000 -0.131 0.000 0.801 18 A HN 0.694 nan 8.150 nan 0.000 0.455 19 Q N -2.112 117.572 119.800 -0.193 0.000 2.488 19 Q HA -0.078 4.262 4.340 -0.000 0.000 0.211 19 Q C 0.448 176.094 176.000 -0.589 0.000 0.967 19 Q CA 0.907 56.469 55.803 -0.402 0.000 0.926 19 Q CB -0.093 28.320 28.738 -0.542 0.000 0.992 19 Q HN 0.907 nan 8.270 nan 0.000 0.506 20 Y N -0.144 120.126 120.300 -0.051 0.000 2.481 20 Y HA 0.269 4.819 4.550 -0.000 0.000 0.247 20 Y C 0.715 176.606 175.900 -0.015 0.000 1.151 20 Y CA -0.319 57.765 58.100 -0.026 0.000 1.238 20 Y CB 0.641 39.093 38.460 -0.014 0.000 1.179 20 Y HN 0.053 nan 8.280 nan 0.000 0.524 21 M N -2.440 117.187 119.600 0.046 0.000 2.569 21 M HA 0.509 4.989 4.480 -0.000 0.000 0.279 21 M C -1.841 174.459 176.300 0.000 0.000 1.253 21 M CA -0.924 54.402 55.300 0.044 0.000 0.867 21 M CB 2.191 34.828 32.600 0.063 0.000 1.727 21 M HN -0.290 nan 8.290 nan 0.000 0.467 22 D N 2.807 123.225 120.400 0.030 0.000 2.352 22 D HA 0.481 5.121 4.640 -0.000 0.000 0.245 22 D C -1.181 175.139 176.300 0.033 0.000 1.224 22 D CA 0.331 54.348 54.000 0.029 0.000 0.879 22 D CB 1.458 42.292 40.800 0.057 0.000 1.057 22 D HN 0.628 nan 8.370 nan 0.000 0.491 23 I N 1.423 121.938 120.570 -0.091 0.000 2.534 23 I HA 0.111 4.280 4.170 -0.000 0.000 0.288 23 I C 0.238 176.243 176.117 -0.185 0.000 1.077 23 I CA -0.536 60.570 61.300 -0.323 0.000 1.051 23 I CB 1.471 39.135 38.000 -0.560 0.000 1.234 23 I HN 0.215 nan 8.210 nan 0.000 0.425 24 S N 4.370 120.022 115.700 -0.080 0.000 2.569 24 S HA 0.024 4.493 4.470 -0.000 0.000 0.274 24 S C 0.954 175.540 174.600 -0.023 0.000 1.353 24 S CA 0.053 58.259 58.200 0.010 0.000 1.023 24 S CB 1.374 64.643 63.200 0.114 0.000 0.876 24 S HN 0.806 nan 8.310 nan 0.000 0.540 25 E N 0.850 121.054 120.200 0.007 0.000 2.077 25 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 25 E C 1.859 178.488 176.600 0.048 0.000 0.989 25 E CA 1.808 58.214 56.400 0.010 0.000 0.800 25 E CB -0.523 29.184 29.700 0.011 0.000 0.746 25 E HN 0.862 nan 8.360 nan 0.000 0.452 26 E N -0.343 119.905 120.200 0.081 0.000 2.110 26 E HA -0.364 3.985 4.350 -0.000 0.000 0.225 26 E C 1.906 178.629 176.600 0.206 0.000 1.063 26 E CA 1.949 58.435 56.400 0.143 0.000 0.906 26 E CB -0.396 29.393 29.700 0.148 0.000 0.795 26 E HN 0.342 nan 8.360 nan 0.000 0.479 27 A N 0.970 123.891 122.820 0.169 0.000 1.883 27 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 27 A C 2.287 179.958 177.584 0.145 0.000 1.186 27 A CA 1.451 53.587 52.037 0.165 0.000 0.624 27 A CB -0.768 18.260 19.000 0.046 0.000 0.822 27 A HN 0.452 nan 8.150 nan 0.000 0.444 28 L N -0.662 120.583 121.223 0.035 0.000 2.083 28 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 28 L C 2.388 179.313 176.870 0.093 0.000 1.083 28 L CA 1.850 56.706 54.840 0.027 0.000 0.752 28 L CB -0.498 41.539 42.059 -0.037 0.000 0.899 28 L HN 0.420 nan 8.230 nan 0.000 0.433 29 E N -0.861 119.402 120.200 0.104 0.000 2.152 29 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 29 E C 1.770 178.447 176.600 0.128 0.000 0.983 29 E CA 0.704 57.156 56.400 0.086 0.000 0.818 29 E CB -0.291 29.443 29.700 0.057 0.000 0.758 29 E HN 0.598 nan 8.360 nan 0.000 0.467 30 W N 1.562 122.872 121.300 0.017 0.000 2.378 30 W HA -0.105 4.555 4.660 -0.000 0.000 0.313 30 W C 1.832 178.361 176.519 0.016 0.000 1.197 30 W CA 0.961 58.307 57.345 0.000 0.000 1.304 30 W CB -0.589 28.890 29.460 0.032 0.000 1.148 30 W HN 0.013 nan 8.180 nan 0.000 0.494 31 L N 0.804 122.298 121.223 0.453 0.000 2.265 31 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 31 L C 2.257 179.389 176.870 0.436 0.000 1.117 31 L CA 1.246 56.353 54.840 0.445 0.000 0.782 31 L CB -0.629 41.725 42.059 0.493 0.000 0.914 31 L HN -0.091 nan 8.230 nan 0.000 0.441 32 K N -0.129 120.425 120.400 0.257 0.000 2.432 32 K HA -0.009 4.311 4.320 -0.000 0.000 0.196 32 K C 0.356 177.103 176.600 0.245 0.000 1.038 32 K CA 0.571 56.964 56.287 0.177 0.000 0.986 32 K CB 0.179 32.704 32.500 0.041 0.000 0.782 32 K HN 0.151 nan 8.250 nan 0.000 0.485 33 K N 1.228 121.735 120.400 0.178 0.000 2.244 33 K HA 0.244 4.564 4.320 -0.000 0.000 0.260 33 K C -2.775 173.843 176.600 0.029 0.000 0.951 33 K CA -2.476 53.885 56.287 0.123 0.000 0.826 33 K CB 1.780 34.244 32.500 -0.060 0.000 1.108 33 K HN -0.288 nan 8.250 nan 0.000 0.433 34 P HA -0.001 nan 4.420 nan 0.000 0.261 34 P C 0.275 177.483 177.300 -0.153 0.000 1.203 34 P CA 0.441 63.516 63.100 -0.041 0.000 0.767 34 P CB 0.483 32.134 31.700 -0.082 0.000 0.785 35 M N 2.081 121.537 119.600 -0.240 0.000 2.213 35 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 35 M C 1.091 177.358 176.300 -0.056 0.000 1.062 35 M CA 1.701 56.821 55.300 -0.299 0.000 1.105 35 M CB -0.115 32.092 32.600 -0.654 0.000 1.385 35 M HN 0.290 nan 8.290 nan 0.000 0.417 36 R N 0.168 120.724 120.500 0.094 0.000 2.604 36 R HA 0.611 4.951 4.340 -0.000 0.000 0.281 36 R C -2.026 174.316 176.300 0.070 0.000 1.020 36 R CA -0.336 55.839 56.100 0.125 0.000 0.899 36 R CB 1.786 32.235 30.300 0.247 0.000 1.205 36 R HN 0.077 nan 8.270 nan 0.000 0.450 37 I N 4.472 125.057 120.570 0.025 0.000 2.478 37 I HA 0.345 4.515 4.170 -0.000 0.000 0.287 37 I C -0.944 175.193 176.117 0.033 0.000 1.042 37 I CA -0.923 60.380 61.300 0.006 0.000 1.067 37 I CB 2.266 40.231 38.000 -0.058 0.000 1.233 37 I HN 0.267 nan 8.210 nan 0.000 0.431 38 V N 5.571 125.524 119.914 0.066 0.000 2.495 38 V HA 0.437 4.557 4.120 -0.000 0.000 0.298 38 V C -0.318 175.864 176.094 0.147 0.000 1.031 38 V CA -0.598 61.747 62.300 0.076 0.000 0.871 38 V CB 1.875 33.726 31.823 0.046 0.000 0.988 38 V HN 0.750 nan 8.190 nan 0.000 0.432 39 E N 4.129 124.414 120.200 0.142 0.000 2.191 39 E HA 0.701 5.051 4.350 -0.000 0.000 0.263 39 E C -1.331 175.323 176.600 0.091 0.000 0.881 39 E CA -0.587 55.938 56.400 0.210 0.000 0.757 39 E CB 2.057 31.914 29.700 0.262 0.000 1.147 39 E HN 0.601 nan 8.360 nan 0.000 0.414 40 V N 1.218 121.156 119.914 0.040 0.000 2.735 40 V HA 0.558 4.678 4.120 -0.000 0.000 0.310 40 V C -0.028 176.060 176.094 -0.010 0.000 1.061 40 V CA -1.071 61.231 62.300 0.002 0.000 0.913 40 V CB 1.762 33.565 31.823 -0.032 0.000 1.005 40 V HN 0.616 nan 8.190 nan 0.000 0.428 41 S N 2.301 118.000 115.700 -0.003 0.000 2.498 41 S HA 0.360 4.830 4.470 -0.000 0.000 0.281 41 S C -0.015 174.594 174.600 0.015 0.000 1.265 41 S CA -0.186 58.014 58.200 -0.001 0.000 1.071 41 S CB 0.624 63.821 63.200 -0.005 0.000 0.894 41 S HN 0.744 nan 8.310 nan 0.000 0.491 42 V N 7.897 127.837 119.914 0.043 0.000 2.250 42 V HA 0.300 4.420 4.120 -0.000 0.000 0.268 42 V C -2.066 174.098 176.094 0.117 0.000 1.043 42 V CA -1.695 60.650 62.300 0.076 0.000 0.814 42 V CB 0.806 32.688 31.823 0.098 0.000 1.072 42 V HN 0.629 nan 8.190 nan 0.000 0.451 43 P HA 0.548 nan 4.420 nan 0.000 0.288 43 P C -0.692 176.657 177.300 0.081 0.000 1.267 43 P CA -0.319 62.827 63.100 0.076 0.000 0.815 43 P CB 2.062 33.777 31.700 0.024 0.000 0.989 44 I N -2.042 118.593 120.570 0.109 0.000 2.686 44 I HA 0.511 4.681 4.170 -0.000 0.000 0.295 44 I C -0.504 175.642 176.117 0.048 0.000 1.114 44 I CA -1.382 59.955 61.300 0.062 0.000 1.038 44 I CB 2.840 40.868 38.000 0.046 0.000 1.238 44 I HN 0.187 nan 8.210 nan 0.000 0.420 45 E N 6.419 126.628 120.200 0.015 0.000 2.104 45 E HA 0.205 4.555 4.350 -0.000 0.000 0.278 45 E C -0.227 176.378 176.600 0.008 0.000 1.127 45 E CA -0.729 55.675 56.400 0.007 0.000 0.897 45 E CB 0.649 30.346 29.700 -0.007 0.000 1.043 45 E HN 0.480 nan 8.360 nan 0.000 0.410 46 M N 3.145 122.757 119.600 0.020 0.000 2.245 46 M HA -0.071 4.409 4.480 -0.000 0.000 0.312 46 M C 0.896 177.197 176.300 0.002 0.000 1.070 46 M CA 0.405 55.717 55.300 0.020 0.000 1.162 46 M CB 0.082 32.699 32.600 0.027 0.000 1.448 46 M HN 0.553 nan 8.290 nan 0.000 0.446 47 D N 1.424 121.823 120.400 -0.001 0.000 2.158 47 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 47 D C 0.980 177.277 176.300 -0.004 0.000 0.995 47 D CA 1.704 55.701 54.000 -0.005 0.000 0.846 47 D CB -0.277 40.521 40.800 -0.004 0.000 0.941 47 D HN 0.645 nan 8.370 nan 0.000 0.456 48 D N -1.102 119.298 120.400 -0.000 0.000 2.338 48 D HA 0.109 4.749 4.640 -0.000 0.000 0.239 48 D C 1.508 177.805 176.300 -0.004 0.000 1.095 48 D CA 0.775 54.773 54.000 -0.002 0.000 0.888 48 D CB -0.192 40.607 40.800 -0.001 0.000 0.899 48 D HN 0.247 nan 8.370 nan 0.000 0.525 49 G N 0.114 108.911 108.800 -0.005 0.000 2.253 49 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.251 49 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.251 49 G C 0.469 175.364 174.900 -0.008 0.000 0.998 49 G CA 0.454 45.550 45.100 -0.007 0.000 0.621 49 G HN 0.914 nan 8.290 nan 0.000 0.524 50 S N -0.116 115.580 115.700 -0.007 0.000 2.565 50 S HA 0.627 5.097 4.470 -0.000 0.000 0.276 50 S C 0.226 174.821 174.600 -0.009 0.000 1.326 50 S CA -0.100 58.093 58.200 -0.012 0.000 1.045 50 S CB 2.229 65.420 63.200 -0.015 0.000 0.918 50 S HN 1.042 nan 8.310 nan 0.000 0.505 51 V N 3.238 123.142 119.914 -0.016 0.000 2.465 51 V HA 0.493 4.613 4.120 -0.000 0.000 0.279 51 V C 0.239 176.310 176.094 -0.038 0.000 1.045 51 V CA -0.519 61.772 62.300 -0.014 0.000 0.938 51 V CB 1.062 32.876 31.823 -0.016 0.000 0.986 51 V HN 0.991 nan 8.190 nan 0.000 0.467 52 K N 3.814 124.196 120.400 -0.030 0.000 2.345 52 K HA 0.660 4.980 4.320 -0.000 0.000 0.255 52 K C -1.454 175.047 176.600 -0.165 0.000 0.934 52 K CA -0.569 55.629 56.287 -0.147 0.000 0.801 52 K CB 2.043 34.416 32.500 -0.211 0.000 1.137 52 K HN 0.440 nan 8.250 nan 0.000 0.424 53 V N 5.833 125.594 119.914 -0.255 0.000 2.364 53 V HA 0.368 4.488 4.120 -0.000 0.000 0.272 53 V C -0.482 175.408 176.094 -0.339 0.000 1.036 53 V CA -0.461 61.737 62.300 -0.171 0.000 0.880 53 V CB 0.034 31.790 31.823 -0.111 0.000 0.991 53 V HN 0.608 nan 8.190 nan 0.000 0.460 54 F N 1.835 121.727 119.950 -0.097 0.000 2.411 54 F HA 0.530 5.057 4.527 -0.000 0.000 0.324 54 F C 0.976 176.695 175.800 -0.135 0.000 1.086 54 F CA -0.511 57.412 58.000 -0.128 0.000 1.028 54 F CB 1.282 40.174 39.000 -0.181 0.000 1.284 54 F HN 0.254 nan 8.300 nan 0.000 0.501 55 T N 0.866 115.421 114.554 0.002 0.000 2.758 55 T HA 0.598 4.948 4.350 -0.000 0.000 0.285 55 T C 0.083 174.573 174.700 -0.349 0.000 0.981 55 T CA -0.649 61.357 62.100 -0.156 0.000 0.965 55 T CB 0.883 69.649 68.868 -0.169 0.000 0.927 55 T HN 0.813 nan 8.240 nan 0.000 0.448 56 G N 1.915 110.534 108.800 -0.302 0.000 2.511 56 G HA2 0.762 4.722 3.960 -0.000 0.000 0.318 56 G HA3 0.762 4.722 3.960 -0.000 0.000 0.318 56 G C -1.546 173.142 174.900 -0.352 0.000 1.210 56 G CA -0.632 44.293 45.100 -0.292 0.000 0.969 56 G HN 0.502 nan 8.290 nan 0.000 0.484 57 F N -0.680 119.421 119.950 0.251 0.000 2.563 57 F HA 0.790 5.317 4.527 -0.000 0.000 0.316 57 F C 0.177 176.109 175.800 0.221 0.000 1.076 57 F CA -1.155 56.943 58.000 0.164 0.000 0.921 57 F CB 2.796 41.863 39.000 0.111 0.000 1.209 57 F HN 0.402 nan 8.300 nan 0.000 0.462 58 R N 0.885 121.568 120.500 0.305 0.000 2.575 58 R HA 0.860 5.200 4.340 -0.000 0.000 0.293 58 R C -2.199 174.187 176.300 0.143 0.000 0.983 58 R CA -0.643 55.591 56.100 0.224 0.000 0.887 58 R CB 1.970 32.349 30.300 0.131 0.000 1.184 58 R HN 0.529 nan 8.270 nan 0.000 0.445 59 V N 5.048 125.030 119.914 0.113 0.000 2.483 59 V HA 0.413 4.533 4.120 -0.000 0.000 0.297 59 V C -0.929 175.217 176.094 0.087 0.000 1.027 59 V CA -0.717 61.622 62.300 0.065 0.000 0.855 59 V CB 1.884 33.707 31.823 -0.000 0.000 0.995 59 V HN 0.738 nan 8.190 nan 0.000 0.424 60 Q N 3.625 123.503 119.800 0.131 0.000 2.368 60 Q HA 0.387 4.727 4.340 -0.000 0.000 0.263 60 Q C 0.581 176.721 176.000 0.234 0.000 1.009 60 Q CA -0.594 55.340 55.803 0.218 0.000 0.818 60 Q CB 1.823 30.742 28.738 0.301 0.000 1.239 60 Q HN 0.852 nan 8.270 nan 0.000 0.464 61 H N 3.191 122.305 119.070 0.074 0.000 2.317 61 H HA 0.074 4.630 4.556 -0.000 0.000 0.304 61 H C -0.266 175.056 175.328 -0.010 0.000 1.067 61 H CA 1.019 57.059 56.048 -0.012 0.000 1.352 61 H CB 0.898 30.601 29.762 -0.100 0.000 1.398 61 H HN 0.573 nan 8.280 nan 0.000 0.510 62 N N -0.661 117.987 118.700 -0.088 0.000 2.600 62 N HA -0.024 4.716 4.740 -0.000 0.000 0.272 62 N C -1.569 174.032 175.510 0.152 0.000 1.095 62 N CA -0.387 52.569 53.050 -0.157 0.000 0.993 62 N CB 0.636 38.964 38.487 -0.265 0.000 1.603 62 N HN 0.402 nan 8.380 nan 0.000 0.526 63 W N 3.710 125.171 121.300 0.270 0.000 2.570 63 W HA 0.634 5.294 4.660 -0.000 0.000 0.410 63 W C 0.651 177.288 176.519 0.197 0.000 0.889 63 W CA -0.472 57.006 57.345 0.222 0.000 2.386 63 W CB -0.459 29.128 29.460 0.212 0.000 1.228 63 W HN 0.535 nan 8.180 nan 0.000 0.692 64 A N 1.370 124.238 122.820 0.080 0.000 1.930 64 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 64 A C 2.191 179.698 177.584 -0.129 0.000 1.175 64 A CA 1.102 52.924 52.037 -0.358 0.000 0.627 64 A CB -0.214 18.448 19.000 -0.564 0.000 0.815 64 A HN 0.286 nan 8.150 nan 0.000 0.443 65 R N -0.936 119.573 120.500 0.014 0.000 2.200 65 R HA 0.206 4.546 4.340 -0.000 0.000 0.208 65 R C 0.998 177.362 176.300 0.107 0.000 1.033 65 R CA 0.951 57.074 56.100 0.038 0.000 1.000 65 R CB -0.098 30.236 30.300 0.056 0.000 0.906 65 R HN 0.597 nan 8.270 nan 0.000 0.462 66 G N -0.088 108.829 108.800 0.195 0.000 2.367 66 G HA2 0.067 4.027 3.960 -0.000 0.000 0.272 66 G HA3 0.067 4.027 3.960 -0.000 0.000 0.272 66 G C -3.052 172.018 174.900 0.283 0.000 1.271 66 G CA -1.077 44.174 45.100 0.252 0.000 0.893 66 G HN -0.199 nan 8.290 nan 0.000 0.485 67 P HA 0.284 nan 4.420 nan 0.000 0.269 67 P C 0.452 177.748 177.300 -0.006 0.000 1.217 67 P CA 0.282 63.434 63.100 0.088 0.000 0.783 67 P CB 0.304 31.990 31.700 -0.023 0.000 0.898 68 T N -1.219 113.305 114.554 -0.051 0.000 2.909 68 T HA 0.557 4.907 4.350 -0.000 0.000 0.289 68 T C -0.296 174.200 174.700 -0.341 0.000 1.005 68 T CA -0.665 61.376 62.100 -0.099 0.000 1.084 68 T CB 0.871 69.771 68.868 0.054 0.000 0.975 68 T HN 0.166 nan 8.240 nan 0.000 0.509 69 K N 0.729 120.878 120.400 -0.418 0.000 2.345 69 K HA 0.739 5.059 4.320 -0.000 0.000 0.255 69 K C -0.299 176.144 176.600 -0.263 0.000 0.934 69 K CA -0.117 55.848 56.287 -0.537 0.000 0.801 69 K CB 1.449 33.403 32.500 -0.909 0.000 1.137 69 K HN 1.217 nan 8.250 nan 0.000 0.424 70 G N 1.006 109.689 108.800 -0.194 0.000 2.340 70 G HA2 0.409 4.369 3.960 -0.000 0.000 0.298 70 G HA3 0.409 4.369 3.960 -0.000 0.000 0.298 70 G C -0.752 174.108 174.900 -0.068 0.000 1.498 70 G CA -0.446 44.590 45.100 -0.108 0.000 0.847 70 G HN 0.736 nan 8.290 nan 0.000 0.594 71 G N -1.314 107.455 108.800 -0.052 0.000 2.588 71 G HA2 0.613 4.573 3.960 -0.000 0.000 0.281 71 G HA3 0.613 4.573 3.960 -0.000 0.000 0.281 71 G C -0.424 174.460 174.900 -0.027 0.000 1.236 71 G CA -0.684 44.384 45.100 -0.054 0.000 0.969 71 G HN 0.758 nan 8.290 nan 0.000 0.504 72 I N 0.019 120.550 120.570 -0.064 0.000 2.418 72 I HA 0.335 4.505 4.170 -0.000 0.000 0.287 72 I C -0.148 175.935 176.117 -0.056 0.000 1.008 72 I CA -0.552 60.716 61.300 -0.054 0.000 1.104 72 I CB 2.083 39.983 38.000 -0.166 0.000 1.264 72 I HN 0.331 nan 8.210 nan 0.000 0.438 73 R N 4.933 125.472 120.500 0.064 0.000 2.312 73 R HA 0.399 4.739 4.340 -0.000 0.000 0.311 73 R C -1.577 174.926 176.300 0.338 0.000 1.004 73 R CA -0.537 55.623 56.100 0.101 0.000 0.902 73 R CB 1.291 31.635 30.300 0.074 0.000 1.073 73 R HN 0.417 nan 8.270 nan 0.000 0.457 74 W N 3.978 125.298 121.300 0.033 0.000 2.299 74 W HA 0.333 4.993 4.660 -0.000 0.000 0.319 74 W C -0.065 176.593 176.519 0.231 0.000 1.008 74 W CA -0.250 57.145 57.345 0.084 0.000 1.384 74 W CB 0.327 29.831 29.460 0.074 0.000 1.220 74 W HN 0.456 nan 8.180 nan 0.000 0.402 75 H N 4.399 123.605 119.070 0.227 0.000 3.123 75 H HA 0.133 4.689 4.556 -0.000 0.000 0.346 75 H C -1.938 173.472 175.328 0.136 0.000 1.138 75 H CA -1.486 54.656 56.048 0.156 0.000 1.273 75 H CB 3.332 33.097 29.762 0.005 0.000 1.926 75 H HN -0.016 nan 8.280 nan 0.000 0.524 76 P HA 0.061 nan 4.420 nan 0.000 0.236 76 P C 0.337 177.571 177.300 -0.109 0.000 1.177 76 P CA 0.519 63.522 63.100 -0.162 0.000 0.773 76 P CB 0.445 32.064 31.700 -0.134 0.000 0.878 77 A N -0.117 122.603 122.820 -0.167 0.000 2.965 77 A HA 0.275 4.595 4.320 -0.000 0.000 0.304 77 A C 0.249 177.945 177.584 0.186 0.000 1.214 77 A CA -0.202 51.863 52.037 0.048 0.000 0.977 77 A CB -0.539 18.505 19.000 0.074 0.000 1.127 77 A HN -0.115 nan 8.150 nan 0.000 0.572 78 E N 1.552 121.878 120.200 0.209 0.000 2.316 78 E HA 0.434 4.784 4.350 -0.000 0.000 0.275 78 E C 0.346 177.130 176.600 0.307 0.000 1.029 78 E CA 0.459 57.031 56.400 0.287 0.000 0.871 78 E CB 0.649 30.548 29.700 0.332 0.000 1.022 78 E HN 0.495 nan 8.360 nan 0.000 0.418 79 T N 1.585 116.267 114.554 0.214 0.000 2.907 79 T HA 0.238 4.588 4.350 -0.000 0.000 0.292 79 T C 0.713 175.267 174.700 -0.243 0.000 1.043 79 T CA -0.922 61.226 62.100 0.079 0.000 1.003 79 T CB 0.984 69.876 68.868 0.040 0.000 1.084 79 T HN 0.303 nan 8.240 nan 0.000 0.483 80 L N 2.101 122.914 121.223 -0.684 0.000 2.129 80 L HA -0.024 4.316 4.340 -0.000 0.000 0.212 80 L C 2.554 179.161 176.870 -0.439 0.000 1.087 80 L CA 2.263 56.528 54.840 -0.958 0.000 0.757 80 L CB -1.288 40.290 42.059 -0.802 0.000 0.896 80 L HN 0.961 nan 8.230 nan 0.000 0.434 81 S N -1.899 113.661 115.700 -0.234 0.000 2.371 81 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 81 S C 1.851 176.429 174.600 -0.038 0.000 1.029 81 S CA 1.593 59.729 58.200 -0.106 0.000 0.978 81 S CB -0.292 62.910 63.200 0.004 0.000 0.833 81 S HN 0.657 nan 8.310 nan 0.000 0.466 82 T N 1.766 116.314 114.554 -0.008 0.000 2.737 82 T HA -0.040 4.310 4.350 -0.000 0.000 0.265 82 T C 1.886 176.605 174.700 0.033 0.000 1.038 82 T CA 1.451 63.587 62.100 0.060 0.000 1.144 82 T CB -0.751 68.170 68.868 0.088 0.000 0.866 82 T HN 0.275 nan 8.240 nan 0.000 0.434 83 V N 1.793 121.690 119.914 -0.028 0.000 2.324 83 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 83 V C 2.520 178.569 176.094 -0.074 0.000 1.060 83 V CA 1.729 64.019 62.300 -0.017 0.000 1.042 83 V CB -0.622 31.187 31.823 -0.023 0.000 0.650 83 V HN 0.465 nan 8.190 nan 0.000 0.450 84 K N 0.156 120.436 120.400 -0.201 0.000 2.057 84 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 84 K C 2.364 178.855 176.600 -0.181 0.000 1.050 84 K CA 1.419 57.500 56.287 -0.344 0.000 0.935 84 K CB -0.500 31.507 32.500 -0.821 0.000 0.715 84 K HN 0.466 nan 8.250 nan 0.000 0.439 85 A N 1.461 124.280 122.820 -0.002 0.000 1.883 85 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 85 A C 2.137 179.767 177.584 0.077 0.000 1.186 85 A CA 1.468 53.545 52.037 0.066 0.000 0.624 85 A CB -0.797 18.295 19.000 0.153 0.000 0.822 85 A HN 0.174 nan 8.150 nan 0.000 0.444 86 L N -0.956 120.368 121.223 0.169 0.000 2.046 86 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 86 L C 3.112 180.024 176.870 0.070 0.000 1.077 86 L CA 1.009 55.970 54.840 0.202 0.000 0.747 86 L CB -0.649 41.489 42.059 0.132 0.000 0.896 86 L HN 0.456 nan 8.230 nan 0.000 0.432 87 A N -0.134 122.678 122.820 -0.013 0.000 1.902 87 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 87 A C 2.376 179.823 177.584 -0.227 0.000 1.181 87 A CA 2.390 54.391 52.037 -0.061 0.000 0.623 87 A CB -0.937 18.049 19.000 -0.023 0.000 0.818 87 A HN 0.390 nan 8.150 nan 0.000 0.443 88 T N -1.542 112.782 114.554 -0.383 0.000 2.746 88 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 88 T C 1.616 175.776 174.700 -0.900 0.000 1.039 88 T CA 1.175 62.702 62.100 -0.955 0.000 1.142 88 T CB -0.286 68.210 68.868 -0.620 0.000 0.866 88 T HN 0.646 nan 8.240 nan 0.000 0.444 89 W N 0.915 121.982 121.300 -0.388 0.000 2.402 89 W HA 0.113 4.773 4.660 -0.000 0.000 0.286 89 W C 2.171 178.479 176.519 -0.350 0.000 1.221 89 W CA 0.313 57.484 57.345 -0.291 0.000 1.257 89 W CB -0.710 28.707 29.460 -0.070 0.000 1.120 89 W HN 0.212 nan 8.180 nan 0.000 0.551 90 M N -0.096 119.455 119.600 -0.083 0.000 2.159 90 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 90 M C 1.857 178.064 176.300 -0.155 0.000 1.063 90 M CA 1.604 56.855 55.300 -0.082 0.000 1.110 90 M CB -1.738 30.821 32.600 -0.068 0.000 1.374 90 M HN -0.169 nan 8.290 nan 0.000 0.411 91 T N -0.716 113.627 114.554 -0.352 0.000 2.759 91 T HA -0.206 4.144 4.350 -0.000 0.000 0.269 91 T C 1.519 176.056 174.700 -0.272 0.000 1.042 91 T CA 1.630 63.513 62.100 -0.362 0.000 1.140 91 T CB -0.417 68.124 68.868 -0.545 0.000 0.864 91 T HN 0.556 nan 8.240 nan 0.000 0.455 92 W N 1.321 122.630 121.300 0.015 0.000 2.418 92 W HA 0.132 4.792 4.660 -0.000 0.000 0.292 92 W C 2.591 179.133 176.519 0.037 0.000 1.213 92 W CA 0.056 57.378 57.345 -0.038 0.000 1.283 92 W CB -0.120 29.168 29.460 -0.287 0.000 1.119 92 W HN 0.108 nan 8.180 nan 0.000 0.542 93 K N 1.226 121.730 120.400 0.173 0.000 2.026 93 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 93 K C 1.970 178.670 176.600 0.166 0.000 1.048 93 K CA 2.111 58.547 56.287 0.248 0.000 0.929 93 K CB -0.420 32.176 32.500 0.159 0.000 0.713 93 K HN 0.148 nan 8.250 nan 0.000 0.439 94 V N -1.635 118.338 119.914 0.098 0.000 2.720 94 V HA -0.093 4.027 4.120 -0.000 0.000 0.256 94 V C 1.954 178.095 176.094 0.077 0.000 1.082 94 V CA 1.733 64.083 62.300 0.084 0.000 1.101 94 V CB -0.692 31.194 31.823 0.105 0.000 0.693 94 V HN 0.323 nan 8.190 nan 0.000 0.479 95 A N -0.173 122.725 122.820 0.130 0.000 1.943 95 A HA 0.114 4.434 4.320 -0.000 0.000 0.213 95 A C 2.297 179.968 177.584 0.145 0.000 1.181 95 A CA 1.265 53.388 52.037 0.143 0.000 0.653 95 A CB -0.390 18.741 19.000 0.220 0.000 0.833 95 A HN 0.465 nan 8.150 nan 0.000 0.451 96 V N -0.539 119.492 119.914 0.195 0.000 2.594 96 V HA -0.115 4.005 4.120 -0.000 0.000 0.253 96 V C 1.947 178.078 176.094 0.061 0.000 1.069 96 V CA 2.179 64.563 62.300 0.140 0.000 1.082 96 V CB 0.340 32.252 31.823 0.149 0.000 0.680 96 V HN 0.295 nan 8.190 nan 0.000 0.469 97 V N 0.139 120.085 119.914 0.053 0.000 3.483 97 V HA 0.266 4.386 4.120 -0.000 0.000 0.301 97 V C 0.787 176.874 176.094 -0.011 0.000 1.389 97 V CA 0.906 63.218 62.300 0.020 0.000 1.101 97 V CB -0.424 31.406 31.823 0.012 0.000 0.971 97 V HN 0.907 nan 8.190 nan 0.000 0.434 98 D N 0.244 120.640 120.400 -0.007 0.000 2.775 98 D HA -0.180 4.460 4.640 -0.000 0.000 0.235 98 D C -0.217 175.996 176.300 -0.145 0.000 1.120 98 D CA 0.642 54.621 54.000 -0.034 0.000 0.708 98 D CB -1.370 39.429 40.800 -0.001 0.000 1.084 98 D HN 0.459 nan 8.370 nan 0.000 0.434 99 L N 0.108 121.199 121.223 -0.220 0.000 2.395 99 L HA 0.407 4.747 4.340 -0.000 0.000 0.269 99 L C -1.224 175.418 176.870 -0.380 0.000 1.133 99 L CA -1.700 52.829 54.840 -0.518 0.000 0.812 99 L CB 0.609 42.349 42.059 -0.531 0.000 1.125 99 L HN -0.039 nan 8.230 nan 0.000 0.452 100 P HA 0.096 nan 4.420 nan 0.000 0.225 100 P C -1.291 175.904 177.300 -0.175 0.000 1.768 100 P CA 0.324 63.285 63.100 -0.231 0.000 0.943 100 P CB -0.225 31.405 31.700 -0.116 0.000 1.936 101 Y N -0.347 119.877 120.300 -0.126 0.000 2.638 101 Y HA 0.665 5.215 4.550 -0.000 0.000 0.339 101 Y C 0.979 176.859 175.900 -0.033 0.000 1.084 101 Y CA -1.094 56.933 58.100 -0.123 0.000 1.068 101 Y CB 1.416 39.756 38.460 -0.200 0.000 1.294 101 Y HN 0.074 nan 8.280 nan 0.000 0.480 102 G N -0.746 108.155 108.800 0.168 0.000 3.107 102 G HA2 0.589 4.548 3.960 -0.000 0.000 0.232 102 G HA3 0.589 4.548 3.960 -0.000 0.000 0.232 102 G C -0.865 174.052 174.900 0.029 0.000 1.339 102 G CA -0.670 44.500 45.100 0.116 0.000 1.033 102 G HN 0.817 nan 8.290 nan 0.000 0.567 103 G N -1.649 107.175 108.800 0.040 0.000 2.461 103 G HA2 0.688 4.648 3.960 -0.000 0.000 0.323 103 G HA3 0.688 4.648 3.960 -0.000 0.000 0.323 103 G C -0.402 174.514 174.900 0.026 0.000 1.229 103 G CA 0.113 45.199 45.100 -0.023 0.000 0.941 103 G HN 1.124 nan 8.290 nan 0.000 0.477 104 G N -0.123 108.666 108.800 -0.018 0.000 2.695 104 G HA2 0.679 4.639 3.960 -0.000 0.000 0.290 104 G HA3 0.679 4.639 3.960 -0.000 0.000 0.290 104 G C -1.649 173.252 174.900 0.001 0.000 1.410 104 G CA -0.706 44.403 45.100 0.016 0.000 0.844 104 G HN 0.707 nan 8.290 nan 0.000 0.478 105 K N -1.579 118.842 120.400 0.036 0.000 2.579 105 K HA 0.741 5.061 4.320 -0.000 0.000 0.284 105 K C -0.367 176.302 176.600 0.114 0.000 0.990 105 K CA 0.077 56.395 56.287 0.052 0.000 0.880 105 K CB 2.069 34.596 32.500 0.045 0.000 1.488 105 K HN 1.257 nan 8.250 nan 0.000 0.425 106 G N -0.624 108.265 108.800 0.147 0.000 2.682 106 G HA2 0.751 4.711 3.960 -0.000 0.000 0.290 106 G HA3 0.751 4.711 3.960 -0.000 0.000 0.290 106 G C -1.163 173.874 174.900 0.229 0.000 1.425 106 G CA -0.443 44.809 45.100 0.254 0.000 0.807 106 G HN 0.809 nan 8.290 nan 0.000 0.482 107 G N -1.175 107.795 108.800 0.284 0.000 2.579 107 G HA2 0.548 4.508 3.960 -0.000 0.000 0.292 107 G HA3 0.548 4.508 3.960 -0.000 0.000 0.292 107 G C -1.606 173.360 174.900 0.111 0.000 1.484 107 G CA -0.678 44.566 45.100 0.240 0.000 0.813 107 G HN 0.676 nan 8.290 nan 0.000 0.515 108 I N 0.624 121.220 120.570 0.043 0.000 2.569 108 I HA 0.410 4.580 4.170 -0.000 0.000 0.296 108 I C -0.249 175.811 176.117 -0.096 0.000 1.028 108 I CA -0.961 60.232 61.300 -0.178 0.000 1.082 108 I CB 2.468 40.182 38.000 -0.477 0.000 1.264 108 I HN 0.277 nan 8.210 nan 0.000 0.429 109 I N 6.326 126.833 120.570 -0.106 0.000 2.260 109 I HA 0.275 4.445 4.170 -0.000 0.000 0.297 109 I C -0.435 175.722 176.117 0.067 0.000 1.143 109 I CA -0.003 61.306 61.300 0.016 0.000 1.271 109 I CB 0.541 38.562 38.000 0.035 0.000 1.461 109 I HN 0.231 nan 8.210 nan 0.000 0.530 110 V N 6.591 126.517 119.914 0.020 0.000 3.077 110 V HA 0.288 4.408 4.120 -0.000 0.000 0.299 110 V C -1.148 174.965 176.094 0.032 0.000 1.276 110 V CA -0.700 61.607 62.300 0.012 0.000 0.993 110 V CB 2.568 34.160 31.823 -0.385 0.000 1.076 110 V HN 0.747 nan 8.190 nan 0.000 0.434 111 N N 7.083 125.815 118.700 0.054 0.000 2.558 111 N HA 0.349 5.089 4.740 -0.000 0.000 0.233 111 N C -1.723 173.817 175.510 0.050 0.000 1.038 111 N CA -1.545 51.550 53.050 0.075 0.000 0.934 111 N CB 1.932 40.451 38.487 0.053 0.000 1.175 111 N HN 0.574 nan 8.380 nan 0.000 0.512 112 P HA -0.127 nan 4.420 nan 0.000 0.222 112 P C 1.092 178.402 177.300 0.017 0.000 1.147 112 P CA 1.199 64.353 63.100 0.090 0.000 0.790 112 P CB 0.147 32.020 31.700 0.288 0.000 0.780 113 K N 0.107 120.481 120.400 -0.043 0.000 2.442 113 K HA -0.069 4.251 4.320 -0.000 0.000 0.198 113 K C 1.896 178.487 176.600 -0.015 0.000 1.044 113 K CA 1.874 58.126 56.287 -0.058 0.000 0.948 113 K CB -1.662 30.785 32.500 -0.089 0.000 0.762 113 K HN 0.463 nan 8.250 nan 0.000 0.472 114 E N -0.066 120.136 120.200 0.003 0.000 2.481 114 E HA 0.436 4.786 4.350 -0.000 0.000 0.198 114 E C 0.535 177.143 176.600 0.015 0.000 1.027 114 E CA -0.082 56.327 56.400 0.014 0.000 0.900 114 E CB -0.119 29.599 29.700 0.031 0.000 0.993 114 E HN 0.592 nan 8.360 nan 0.000 0.482 115 L N 1.744 122.970 121.223 0.005 0.000 2.317 115 L HA 0.445 4.784 4.340 -0.000 0.000 0.281 115 L C 0.848 177.730 176.870 0.019 0.000 1.024 115 L CA -1.100 53.739 54.840 -0.002 0.000 0.810 115 L CB 2.058 44.088 42.059 -0.048 0.000 1.240 115 L HN 0.282 nan 8.230 nan 0.000 0.427 116 S N 1.167 116.876 115.700 0.014 0.000 2.587 116 S HA 0.073 4.542 4.470 -0.000 0.000 0.260 116 S C 0.934 175.561 174.600 0.045 0.000 1.353 116 S CA -0.549 57.666 58.200 0.024 0.000 0.995 116 S CB 0.934 64.141 63.200 0.011 0.000 0.912 116 S HN 0.626 nan 8.310 nan 0.000 0.568 117 E N 1.535 121.778 120.200 0.072 0.000 2.118 117 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 117 E C 2.786 179.386 176.600 0.000 0.000 0.992 117 E CA 1.721 58.202 56.400 0.135 0.000 0.804 117 E CB -0.847 28.966 29.700 0.189 0.000 0.741 117 E HN 0.809 nan 8.360 nan 0.000 0.458 118 R N 1.595 122.072 120.500 -0.038 0.000 2.075 118 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 118 R C 2.012 178.229 176.300 -0.139 0.000 1.126 118 R CA 1.770 57.801 56.100 -0.114 0.000 0.963 118 R CB -1.192 29.068 30.300 -0.066 0.000 0.858 118 R HN 0.319 nan 8.270 nan 0.000 0.435 119 E N 0.253 120.406 120.200 -0.078 0.000 2.150 119 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 119 E C 2.346 178.883 176.600 -0.105 0.000 0.985 119 E CA 1.183 57.534 56.400 -0.082 0.000 0.814 119 E CB 0.025 29.696 29.700 -0.049 0.000 0.752 119 E HN 0.694 nan 8.360 nan 0.000 0.466 120 Q N 0.369 120.149 119.800 -0.032 0.000 2.167 120 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 120 Q C 2.033 178.059 176.000 0.043 0.000 0.970 120 Q CA 0.984 56.867 55.803 0.133 0.000 0.855 120 Q CB 0.072 29.041 28.738 0.385 0.000 0.911 120 Q HN 0.280 nan 8.270 nan 0.000 0.438 121 E N 0.859 120.775 120.200 -0.473 0.000 2.072 121 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 121 E C 1.896 178.280 176.600 -0.359 0.000 0.982 121 E CA 0.508 56.353 56.400 -0.925 0.000 0.803 121 E CB 0.200 28.982 29.700 -1.531 0.000 0.755 121 E HN 0.214 nan 8.360 nan 0.000 0.453 122 R N 0.219 120.569 120.500 -0.250 0.000 2.096 122 R HA -0.191 4.149 4.340 -0.000 0.000 0.240 122 R C 2.555 178.814 176.300 -0.069 0.000 1.139 122 R CA 1.390 57.412 56.100 -0.131 0.000 0.952 122 R CB -0.492 29.744 30.300 -0.106 0.000 0.854 122 R HN 0.208 nan 8.270 nan 0.000 0.436 123 L N 0.772 121.931 121.223 -0.107 0.000 1.976 123 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 123 L C 2.381 179.298 176.870 0.079 0.000 1.071 123 L CA 2.116 56.855 54.840 -0.168 0.000 0.746 123 L CB -0.760 40.962 42.059 -0.561 0.000 0.890 123 L HN 0.176 nan 8.230 nan 0.000 0.432 124 A N -0.497 122.537 122.820 0.357 0.000 1.917 124 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 124 A C 2.415 180.206 177.584 0.344 0.000 1.182 124 A CA 2.244 54.599 52.037 0.530 0.000 0.633 124 A CB -0.626 18.721 19.000 0.579 0.000 0.819 124 A HN 0.550 nan 8.150 nan 0.000 0.448 125 R N -0.922 119.693 120.500 0.192 0.000 2.073 125 R HA 0.047 4.387 4.340 -0.000 0.000 0.229 125 R C 2.502 178.886 176.300 0.140 0.000 1.120 125 R CA 1.000 57.188 56.100 0.147 0.000 0.967 125 R CB -0.451 29.877 30.300 0.048 0.000 0.862 125 R HN 0.500 nan 8.270 nan 0.000 0.436 126 A N 0.543 123.428 122.820 0.108 0.000 1.978 126 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 126 A C 1.936 179.606 177.584 0.143 0.000 1.170 126 A CA 1.187 53.280 52.037 0.093 0.000 0.636 126 A CB -0.612 18.422 19.000 0.057 0.000 0.810 126 A HN 0.454 nan 8.150 nan 0.000 0.448 127 Y N 0.341 120.692 120.300 0.084 0.000 2.163 127 Y HA -0.139 4.411 4.550 -0.000 0.000 0.288 127 Y C 2.043 178.028 175.900 0.141 0.000 1.136 127 Y CA 1.554 59.719 58.100 0.109 0.000 1.147 127 Y CB -0.032 38.530 38.460 0.170 0.000 0.987 127 Y HN 0.227 nan 8.280 nan 0.000 0.509 128 I N 0.353 121.083 120.570 0.267 0.000 2.315 128 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 128 I C 2.294 178.522 176.117 0.184 0.000 1.117 128 I CA 1.417 62.855 61.300 0.230 0.000 1.404 128 I CB -1.095 37.102 38.000 0.327 0.000 1.071 128 I HN 0.268 nan 8.210 nan 0.000 0.419 129 R N 0.598 121.174 120.500 0.127 0.000 2.120 129 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 129 R C 2.339 178.670 176.300 0.052 0.000 1.123 129 R CA 1.449 57.592 56.100 0.070 0.000 0.975 129 R CB -0.213 30.107 30.300 0.034 0.000 0.866 129 R HN 0.370 nan 8.270 nan 0.000 0.446 130 A N 0.325 123.149 122.820 0.007 0.000 1.903 130 A HA -0.044 4.276 4.320 -0.000 0.000 0.213 130 A C 1.924 179.470 177.584 -0.062 0.000 1.185 130 A CA 1.187 53.202 52.037 -0.036 0.000 0.628 130 A CB 0.016 18.974 19.000 -0.070 0.000 0.830 130 A HN 0.226 nan 8.150 nan 0.000 0.446 131 V N -3.627 116.202 119.914 -0.141 0.000 3.444 131 V HA 0.163 4.283 4.120 -0.000 0.000 0.308 131 V C 1.664 177.761 176.094 0.005 0.000 1.371 131 V CA 0.470 62.688 62.300 -0.136 0.000 1.141 131 V CB -1.388 30.225 31.823 -0.349 0.000 1.037 131 V HN 0.440 nan 8.190 nan 0.000 0.433 132 Y N 2.609 122.908 120.300 -0.002 0.000 2.151 132 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 132 Y C 2.086 178.041 175.900 0.091 0.000 1.166 132 Y CA 2.444 60.601 58.100 0.095 0.000 1.163 132 Y CB -0.145 38.364 38.460 0.081 0.000 0.974 132 Y HN 0.392 nan 8.280 nan 0.000 0.511 133 D N -0.558 119.890 120.400 0.080 0.000 2.310 133 D HA -0.107 4.533 4.640 -0.000 0.000 0.212 133 D C 1.858 178.117 176.300 -0.067 0.000 0.965 133 D CA 1.605 55.612 54.000 0.012 0.000 0.879 133 D CB -0.048 40.798 40.800 0.077 0.000 0.921 133 D HN 0.497 nan 8.370 nan 0.000 0.510 134 V N -1.260 118.607 119.914 -0.078 0.000 3.528 134 V HA 0.247 4.366 4.120 -0.000 0.000 0.294 134 V C 0.827 176.850 176.094 -0.118 0.000 1.404 134 V CA -0.447 61.796 62.300 -0.094 0.000 1.065 134 V CB -0.476 31.310 31.823 -0.062 0.000 0.904 134 V HN 0.027 nan 8.190 nan 0.000 0.435 135 I N -1.123 119.368 120.570 -0.132 0.000 2.947 135 I HA 1.056 5.226 4.170 -0.000 0.000 0.314 135 I C 0.209 176.224 176.117 -0.169 0.000 1.028 135 I CA -0.373 60.842 61.300 -0.143 0.000 1.077 135 I CB 1.711 39.636 38.000 -0.124 0.000 1.274 135 I HN 0.239 nan 8.210 nan 0.000 0.485 136 G N 2.396 111.085 108.800 -0.186 0.000 2.337 136 G HA2 0.251 4.211 3.960 -0.000 0.000 0.298 136 G HA3 0.251 4.211 3.960 -0.000 0.000 0.298 136 G C -3.003 171.859 174.900 -0.064 0.000 1.335 136 G CA -0.529 44.481 45.100 -0.150 0.000 0.875 136 G HN 0.352 nan 8.290 nan 0.000 0.579 137 P HA 0.075 nan 4.420 nan 0.000 0.221 137 P C 0.644 177.954 177.300 0.016 0.000 1.150 137 P CA 1.279 64.427 63.100 0.080 0.000 0.800 137 P CB 0.145 31.898 31.700 0.087 0.000 0.787 138 W N -1.921 119.517 121.300 0.229 0.000 2.862 138 W HA 0.202 4.862 4.660 -0.000 0.000 0.376 138 W C 1.262 177.818 176.519 0.062 0.000 1.028 138 W CA 0.110 57.587 57.345 0.219 0.000 1.757 138 W CB -0.069 29.510 29.460 0.199 0.000 1.128 138 W HN -0.185 nan 8.180 nan 0.000 0.566 139 T N -1.380 113.249 114.554 0.125 0.000 3.348 139 T HA 0.052 4.402 4.350 -0.000 0.000 0.233 139 T C -0.436 174.196 174.700 -0.115 0.000 0.960 139 T CA 0.602 62.676 62.100 -0.043 0.000 1.343 139 T CB 0.081 68.895 68.868 -0.088 0.000 1.068 139 T HN -0.263 nan 8.240 nan 0.000 0.410 140 D N 0.029 120.352 120.400 -0.129 0.000 2.764 140 D HA 0.368 5.008 4.640 -0.000 0.000 0.227 140 D C -1.745 174.451 176.300 -0.174 0.000 1.347 140 D CA -0.431 53.478 54.000 -0.152 0.000 0.953 140 D CB 0.781 41.513 40.800 -0.113 0.000 1.476 140 D HN 0.197 nan 8.370 nan 0.000 0.585 141 I N 5.418 125.845 120.570 -0.239 0.000 2.428 141 I HA 0.356 4.526 4.170 -0.000 0.000 0.279 141 I C -2.078 173.926 176.117 -0.189 0.000 1.040 141 I CA -1.818 59.339 61.300 -0.237 0.000 1.171 141 I CB 1.472 39.245 38.000 -0.378 0.000 1.312 141 I HN 0.164 nan 8.210 nan 0.000 0.470 142 P HA 0.545 nan 4.420 nan 0.000 0.312 142 P C -0.560 176.691 177.300 -0.082 0.000 1.307 142 P CA -0.339 62.722 63.100 -0.065 0.000 0.738 142 P CB 0.704 32.415 31.700 0.019 0.000 1.422 143 A N -2.416 120.359 122.820 -0.075 0.000 2.452 143 A HA 0.566 4.885 4.320 -0.000 0.000 0.294 143 A C -3.020 174.496 177.584 -0.113 0.000 1.010 143 A CA -0.860 51.122 52.037 -0.090 0.000 0.613 143 A CB 0.229 19.176 19.000 -0.089 0.000 1.363 143 A HN 0.300 nan 8.150 nan 0.000 0.463 144 P HA 0.516 nan 4.420 nan 0.000 0.282 144 P C -0.907 176.315 177.300 -0.131 0.000 1.259 144 P CA 0.285 63.288 63.100 -0.161 0.000 0.826 144 P CB 1.837 33.439 31.700 -0.165 0.000 1.064 145 D N -0.419 119.894 120.400 -0.146 0.000 3.966 145 D HA 0.110 4.750 4.640 -0.000 0.000 0.310 145 D C -0.649 175.581 176.300 -0.116 0.000 1.536 145 D CA -0.406 53.528 54.000 -0.110 0.000 0.980 145 D CB 1.343 42.092 40.800 -0.084 0.000 1.397 145 D HN -0.040 nan 8.370 nan 0.000 0.643 146 V N 2.970 122.801 119.914 -0.137 0.000 2.506 146 V HA -0.118 4.002 4.120 -0.000 0.000 0.296 146 V C 0.039 176.076 176.094 -0.094 0.000 1.004 146 V CA 0.753 62.915 62.300 -0.231 0.000 1.150 146 V CB -1.156 30.422 31.823 -0.408 0.000 0.911 146 V HN 0.555 nan 8.190 nan 0.000 0.476 147 Y N 2.110 122.390 120.300 -0.033 0.000 4.604 147 Y HA -0.208 4.342 4.550 -0.000 0.000 0.230 147 Y C 0.932 176.729 175.900 -0.173 0.000 1.066 147 Y CA 0.903 58.994 58.100 -0.015 0.000 1.990 147 Y CB -2.553 35.989 38.460 0.137 0.000 1.619 147 Y HN 0.908 nan 8.280 nan 0.000 0.649 148 T N -1.018 113.440 114.554 -0.159 0.000 2.907 148 T HA 0.800 5.149 4.350 -0.000 0.000 0.292 148 T C -0.142 174.395 174.700 -0.273 0.000 1.043 148 T CA -0.198 61.652 62.100 -0.417 0.000 1.003 148 T CB 3.323 71.789 68.868 -0.670 0.000 1.084 148 T HN 0.276 nan 8.240 nan 0.000 0.483 149 N N 0.470 118.991 118.700 -0.300 0.000 3.243 149 N HA 0.513 5.252 4.740 -0.000 0.000 0.280 149 N C -2.819 172.534 175.510 -0.262 0.000 1.545 149 N CA -2.145 50.768 53.050 -0.229 0.000 0.854 149 N CB 0.172 38.542 38.487 -0.194 0.000 1.612 149 N HN 0.231 nan 8.380 nan 0.000 0.577 150 P HA -0.166 nan 4.420 nan 0.000 0.218 150 P C 1.115 178.215 177.300 -0.334 0.000 1.148 150 P CA 1.663 64.620 63.100 -0.239 0.000 0.822 150 P CB 0.295 31.878 31.700 -0.195 0.000 0.784 151 K N 0.142 120.292 120.400 -0.417 0.000 2.044 151 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 151 K C 1.892 177.928 176.600 -0.940 0.000 1.049 151 K CA 1.608 57.481 56.287 -0.689 0.000 0.927 151 K CB -0.600 31.474 32.500 -0.711 0.000 0.713 151 K HN 0.093 nan 8.250 nan 0.000 0.443 152 I N 0.795 120.985 120.570 -0.634 0.000 2.439 152 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 152 I C 2.273 178.295 176.117 -0.157 0.000 1.139 152 I CA 0.429 61.526 61.300 -0.338 0.000 1.438 152 I CB -0.084 37.685 38.000 -0.384 0.000 1.085 152 I HN 0.223 nan 8.210 nan 0.000 0.427 153 M N 0.240 119.709 119.600 -0.218 0.000 2.117 153 M HA -0.112 4.367 4.480 -0.000 0.000 0.262 153 M C 2.460 178.718 176.300 -0.071 0.000 1.065 153 M CA 1.867 57.092 55.300 -0.124 0.000 1.114 153 M CB -1.995 30.516 32.600 -0.148 0.000 1.361 153 M HN 0.310 nan 8.290 nan 0.000 0.408 154 G N -0.732 107.973 108.800 -0.158 0.000 2.440 154 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.218 154 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.218 154 G C 1.242 176.196 174.900 0.091 0.000 1.154 154 G CA 0.444 45.482 45.100 -0.103 0.000 0.767 154 G HN 0.401 nan 8.290 nan 0.000 0.552 155 W N 0.458 121.759 121.300 0.002 0.000 2.374 155 W HA 0.131 4.791 4.660 -0.000 0.000 0.288 155 W C 2.644 179.213 176.519 0.083 0.000 1.218 155 W CA 0.572 57.942 57.345 0.042 0.000 1.245 155 W CB -0.753 28.735 29.460 0.046 0.000 1.126 155 W HN 0.231 nan 8.180 nan 0.000 0.545 156 M N -0.947 118.841 119.600 0.313 0.000 2.160 156 M HA -0.163 4.317 4.480 -0.000 0.000 0.264 156 M C 2.341 178.795 176.300 0.257 0.000 1.073 156 M CA 1.118 56.580 55.300 0.271 0.000 1.142 156 M CB -0.746 31.985 32.600 0.217 0.000 1.358 156 M HN -0.226 nan 8.290 nan 0.000 0.422 157 M N 0.784 120.501 119.600 0.195 0.000 2.144 157 M HA -0.266 4.214 4.480 -0.000 0.000 0.260 157 M C 1.311 177.784 176.300 0.289 0.000 1.067 157 M CA 2.212 57.645 55.300 0.221 0.000 1.095 157 M CB -0.873 31.801 32.600 0.123 0.000 1.365 157 M HN 0.218 nan 8.290 nan 0.000 0.406 158 D N -0.361 120.185 120.400 0.242 0.000 2.097 158 D HA -0.209 4.431 4.640 -0.000 0.000 0.197 158 D C 1.844 178.268 176.300 0.207 0.000 0.984 158 D CA 1.654 55.788 54.000 0.223 0.000 0.826 158 D CB -0.040 40.883 40.800 0.205 0.000 0.973 158 D HN 0.429 nan 8.370 nan 0.000 0.460 159 E N -1.100 119.228 120.200 0.214 0.000 2.110 159 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 159 E C 1.854 178.572 176.600 0.196 0.000 0.988 159 E CA 0.967 57.469 56.400 0.170 0.000 0.804 159 E CB -0.558 29.246 29.700 0.174 0.000 0.745 159 E HN 0.514 nan 8.360 nan 0.000 0.458 160 Y N 1.249 121.660 120.300 0.186 0.000 2.114 160 Y HA -0.195 4.355 4.550 -0.000 0.000 0.284 160 Y C 2.236 178.271 175.900 0.225 0.000 1.143 160 Y CA 2.386 60.641 58.100 0.258 0.000 1.135 160 Y CB -0.324 38.292 38.460 0.261 0.000 0.980 160 Y HN 0.159 nan 8.280 nan 0.000 0.499 161 E N -0.944 119.399 120.200 0.238 0.000 2.130 161 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 161 E C 1.916 178.522 176.600 0.009 0.000 0.998 161 E CA 1.956 58.432 56.400 0.126 0.000 0.806 161 E CB -0.139 29.685 29.700 0.207 0.000 0.738 161 E HN 0.522 nan 8.360 nan 0.000 0.459 162 T N 0.820 115.387 114.554 0.020 0.000 2.777 162 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 162 T C 1.862 176.501 174.700 -0.102 0.000 1.040 162 T CA 1.233 63.320 62.100 -0.021 0.000 1.141 162 T CB -0.113 68.756 68.868 0.001 0.000 0.868 162 T HN 0.187 nan 8.240 nan 0.000 0.444 163 I N 0.668 121.125 120.570 -0.188 0.000 2.439 163 I HA -0.026 4.144 4.170 -0.000 0.000 0.251 163 I C 2.428 178.337 176.117 -0.347 0.000 1.139 163 I CA 0.899 61.981 61.300 -0.363 0.000 1.438 163 I CB -0.242 37.346 38.000 -0.687 0.000 1.085 163 I HN 0.232 nan 8.210 nan 0.000 0.427 164 M N 0.540 119.971 119.600 -0.281 0.000 2.562 164 M HA -0.052 4.427 4.480 -0.000 0.000 0.257 164 M C 0.172 176.429 176.300 -0.072 0.000 1.099 164 M CA 0.878 56.085 55.300 -0.155 0.000 1.099 164 M CB 0.083 32.502 32.600 -0.303 0.000 1.427 164 M HN 0.143 nan 8.290 nan 0.000 0.489 165 R N 1.150 121.606 120.500 -0.074 0.000 3.525 165 R HA -0.193 4.147 4.340 -0.000 0.000 0.276 165 R C -0.285 176.008 176.300 -0.011 0.000 1.116 165 R CA 0.977 57.055 56.100 -0.036 0.000 0.745 165 R CB -3.184 27.098 30.300 -0.031 0.000 1.185 165 R HN 0.638 nan 8.270 nan 0.000 0.454 166 R N -0.892 119.606 120.500 -0.003 0.000 3.610 166 R HA -0.233 4.107 4.340 -0.000 0.000 0.274 166 R C 0.944 177.254 176.300 0.018 0.000 1.123 166 R CA 1.406 57.514 56.100 0.013 0.000 0.747 166 R CB -0.605 29.698 30.300 0.006 0.000 1.149 166 R HN 0.232 nan 8.270 nan 0.000 0.471 167 K N -0.237 120.180 120.400 0.027 0.000 2.366 167 K HA 0.095 4.415 4.320 -0.000 0.000 0.198 167 K C 1.283 177.919 176.600 0.060 0.000 1.044 167 K CA 1.337 57.647 56.287 0.039 0.000 0.973 167 K CB 0.503 33.029 32.500 0.043 0.000 0.767 167 K HN 0.487 nan 8.250 nan 0.000 0.475 168 G N 1.056 109.907 108.800 0.084 0.000 2.782 168 G HA2 0.292 4.252 3.960 -0.000 0.000 0.304 168 G HA3 0.292 4.252 3.960 -0.000 0.000 0.304 168 G C -2.832 172.132 174.900 0.107 0.000 1.315 168 G CA -0.806 44.361 45.100 0.110 0.000 0.791 168 G HN -0.214 nan 8.290 nan 0.000 0.519 169 P HA 0.262 nan 4.420 nan 0.000 0.249 169 P C 0.750 178.148 177.300 0.163 0.000 1.737 169 P CA 0.316 63.459 63.100 0.073 0.000 1.128 169 P CB 0.616 32.340 31.700 0.040 0.000 1.942 170 A N 1.912 124.861 122.820 0.215 0.000 2.067 170 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 170 A C 1.618 179.454 177.584 0.420 0.000 1.158 170 A CA 0.777 53.059 52.037 0.408 0.000 0.661 170 A CB -1.068 18.192 19.000 0.434 0.000 0.801 170 A HN 0.205 nan 8.150 nan 0.000 0.452 171 F N 0.396 120.424 119.950 0.129 0.000 2.161 171 F HA -0.089 4.438 4.527 -0.000 0.000 0.300 171 F C 2.426 178.262 175.800 0.059 0.000 1.089 171 F CA 0.791 58.845 58.000 0.090 0.000 1.282 171 F CB -1.160 37.897 39.000 0.096 0.000 1.010 171 F HN 0.303 nan 8.300 nan 0.000 0.485 172 G N -1.264 107.673 108.800 0.228 0.000 3.026 172 G HA2 0.063 4.023 3.960 -0.000 0.000 0.208 172 G HA3 0.063 4.023 3.960 -0.000 0.000 0.208 172 G C 1.604 176.606 174.900 0.171 0.000 1.169 172 G CA 0.473 45.664 45.100 0.152 0.000 0.788 172 G HN 0.286 nan 8.290 nan 0.000 0.533 173 V N -0.175 119.754 119.914 0.025 0.000 3.041 173 V HA 0.412 4.532 4.120 -0.000 0.000 0.260 173 V C 0.611 176.628 176.094 -0.129 0.000 1.105 173 V CA 0.960 63.144 62.300 -0.194 0.000 1.125 173 V CB -0.195 31.202 31.823 -0.710 0.000 0.730 173 V HN 0.300 nan 8.190 nan 0.000 0.479 174 I N -0.596 119.956 120.570 -0.030 0.000 2.787 174 I HA 0.378 4.548 4.170 -0.000 0.000 0.294 174 I C -0.153 175.959 176.117 -0.007 0.000 1.365 174 I CA -0.090 61.189 61.300 -0.035 0.000 1.029 174 I CB 2.324 40.303 38.000 -0.034 0.000 1.313 174 I HN 0.190 nan 8.210 nan 0.000 0.431 175 T N 1.519 116.057 114.554 -0.026 0.000 2.870 175 T HA 0.664 5.013 4.350 -0.000 0.000 0.277 175 T C 0.756 175.421 174.700 -0.058 0.000 1.000 175 T CA -0.109 61.980 62.100 -0.018 0.000 0.982 175 T CB 1.390 70.264 68.868 0.011 0.000 1.249 175 T HN 1.482 nan 8.240 nan 0.000 0.589 176 G N 0.776 109.540 108.800 -0.060 0.000 2.273 176 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.280 176 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.280 176 G C -0.124 174.705 174.900 -0.118 0.000 1.047 176 G CA 0.394 45.441 45.100 -0.087 0.000 0.869 176 G HN 0.868 nan 8.290 nan 0.000 0.502 177 K N 0.213 120.540 120.400 -0.122 0.000 2.126 177 K HA 0.416 4.736 4.320 -0.000 0.000 0.257 177 K C -2.167 174.327 176.600 -0.177 0.000 1.007 177 K CA -1.927 54.261 56.287 -0.166 0.000 0.928 177 K CB 0.712 33.091 32.500 -0.202 0.000 1.013 177 K HN -0.005 nan 8.250 nan 0.000 0.473 178 P HA -0.074 nan 4.420 nan 0.000 0.265 178 P C 0.516 177.697 177.300 -0.198 0.000 1.187 178 P CA 0.316 63.303 63.100 -0.188 0.000 0.766 178 P CB 0.431 32.014 31.700 -0.195 0.000 0.820 179 L N 1.985 123.110 121.223 -0.164 0.000 2.127 179 L HA -0.249 4.091 4.340 -0.000 0.000 0.211 179 L C 2.277 179.018 176.870 -0.215 0.000 1.089 179 L CA 2.126 56.864 54.840 -0.171 0.000 0.757 179 L CB -0.678 41.306 42.059 -0.125 0.000 0.899 179 L HN 0.485 nan 8.230 nan 0.000 0.434 180 S N 0.562 116.149 115.700 -0.188 0.000 2.382 180 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 180 S C 1.344 175.807 174.600 -0.228 0.000 1.027 180 S CA 0.970 59.068 58.200 -0.171 0.000 0.991 180 S CB -0.545 62.584 63.200 -0.119 0.000 0.823 180 S HN 0.592 nan 8.310 nan 0.000 0.469 181 I N -2.883 117.478 120.570 -0.349 0.000 3.266 181 I HA 0.763 4.933 4.170 -0.000 0.000 0.346 181 I C 0.910 176.326 176.117 -1.168 0.000 1.458 181 I CA -0.239 60.659 61.300 -0.669 0.000 0.997 181 I CB -0.021 37.685 38.000 -0.491 0.000 1.733 181 I HN 0.345 nan 8.210 nan 0.000 0.507 182 G N 1.000 109.356 108.800 -0.741 0.000 2.179 182 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 182 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 182 G C 0.606 175.430 174.900 -0.127 0.000 0.990 182 G CA -0.370 44.464 45.100 -0.443 0.000 0.646 182 G HN 0.871 nan 8.290 nan 0.000 0.517 183 G N -0.137 108.541 108.800 -0.203 0.000 2.716 183 G HA2 0.491 4.451 3.960 -0.000 0.000 0.251 183 G HA3 0.491 4.451 3.960 -0.000 0.000 0.251 183 G C 0.278 175.159 174.900 -0.031 0.000 1.224 183 G CA 1.011 46.045 45.100 -0.109 0.000 0.891 183 G HN 1.209 nan 8.290 nan 0.000 0.561 184 S N -1.323 114.359 115.700 -0.030 0.000 2.532 184 S HA 0.585 5.054 4.470 -0.000 0.000 0.301 184 S C 0.097 174.689 174.600 -0.014 0.000 1.083 184 S CA -0.817 57.374 58.200 -0.016 0.000 1.025 184 S CB 0.750 63.926 63.200 -0.040 0.000 1.056 184 S HN 0.453 nan 8.310 nan 0.000 0.494 185 L N 2.908 124.135 121.223 0.006 0.000 2.452 185 L HA 0.468 4.808 4.340 -0.000 0.000 0.267 185 L C 1.594 178.489 176.870 0.041 0.000 1.188 185 L CA 0.566 55.416 54.840 0.018 0.000 0.821 185 L CB 0.407 42.489 42.059 0.039 0.000 1.102 185 L HN 1.086 nan 8.230 nan 0.000 0.470 186 G N 1.216 110.029 108.800 0.022 0.000 2.159 186 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.227 186 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.227 186 G C 1.089 175.988 174.900 -0.001 0.000 0.986 186 G CA 0.417 45.537 45.100 0.033 0.000 0.651 186 G HN 0.724 nan 8.290 nan 0.000 0.523 187 R N 0.481 120.966 120.500 -0.026 0.000 2.080 187 R HA 0.117 4.457 4.340 -0.000 0.000 0.222 187 R C 2.658 178.908 176.300 -0.084 0.000 1.107 187 R CA 1.758 57.834 56.100 -0.041 0.000 0.980 187 R CB -0.652 29.622 30.300 -0.044 0.000 0.879 187 R HN 0.393 nan 8.270 nan 0.000 0.439 188 G N -0.470 108.260 108.800 -0.118 0.000 2.484 188 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 188 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 188 G C 1.159 175.887 174.900 -0.286 0.000 1.130 188 G CA 1.122 46.128 45.100 -0.158 0.000 0.784 188 G HN 0.522 nan 8.290 nan 0.000 0.543 189 T N -2.894 111.452 114.554 -0.348 0.000 3.129 189 T HA 0.601 4.951 4.350 -0.000 0.000 0.267 189 T C 2.127 176.685 174.700 -0.237 0.000 1.018 189 T CA 0.905 62.718 62.100 -0.478 0.000 0.903 189 T CB 0.800 69.289 68.868 -0.631 0.000 1.067 189 T HN 0.179 nan 8.240 nan 0.000 0.549 190 A N 2.252 124.991 122.820 -0.135 0.000 1.883 190 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 190 A C 2.468 180.018 177.584 -0.057 0.000 1.186 190 A CA 2.293 54.297 52.037 -0.055 0.000 0.624 190 A CB -1.545 17.445 19.000 -0.018 0.000 0.822 190 A HN 0.510 nan 8.150 nan 0.000 0.444 191 T N 0.214 114.728 114.554 -0.066 0.000 2.622 191 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 191 T C 2.268 176.924 174.700 -0.074 0.000 1.047 191 T CA 1.943 64.011 62.100 -0.053 0.000 1.159 191 T CB -0.584 68.258 68.868 -0.043 0.000 0.863 191 T HN 0.626 nan 8.240 nan 0.000 0.422 192 A N 1.097 123.863 122.820 -0.090 0.000 1.908 192 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 192 A C 2.261 179.741 177.584 -0.173 0.000 1.181 192 A CA 2.164 54.141 52.037 -0.101 0.000 0.627 192 A CB -0.809 18.158 19.000 -0.055 0.000 0.818 192 A HN 0.480 nan 8.150 nan 0.000 0.445 193 Q N -0.131 119.542 119.800 -0.212 0.000 2.119 193 Q HA -0.005 4.335 4.340 -0.000 0.000 0.201 193 Q C 1.916 177.643 176.000 -0.455 0.000 0.972 193 Q CA 2.095 57.679 55.803 -0.364 0.000 0.847 193 Q CB -0.966 27.607 28.738 -0.274 0.000 0.903 193 Q HN 0.485 nan 8.270 nan 0.000 0.433 194 G N 0.032 108.736 108.800 -0.160 0.000 2.421 194 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 194 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 194 G C 1.502 176.374 174.900 -0.047 0.000 1.171 194 G CA 1.009 46.111 45.100 0.002 0.000 0.775 194 G HN 0.537 nan 8.290 nan 0.000 0.543 195 A N 0.574 123.334 122.820 -0.100 0.000 1.908 195 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 195 A C 2.332 179.827 177.584 -0.148 0.000 1.181 195 A CA 1.543 53.519 52.037 -0.101 0.000 0.627 195 A CB -0.382 18.564 19.000 -0.091 0.000 0.818 195 A HN 0.300 nan 8.150 nan 0.000 0.445 196 I N -1.300 119.125 120.570 -0.242 0.000 2.361 196 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 196 I C 1.988 177.986 176.117 -0.199 0.000 1.133 196 I CA 1.078 62.220 61.300 -0.264 0.000 1.413 196 I CB -0.482 37.307 38.000 -0.351 0.000 1.073 196 I HN 0.322 nan 8.210 nan 0.000 0.424 197 F N 0.186 120.083 119.950 -0.088 0.000 2.163 197 F HA -0.169 4.358 4.527 -0.000 0.000 0.297 197 F C 2.853 178.527 175.800 -0.209 0.000 1.094 197 F CA 1.612 59.552 58.000 -0.101 0.000 1.290 197 F CB -1.834 37.141 39.000 -0.042 0.000 1.017 197 F HN 0.191 nan 8.300 nan 0.000 0.483 198 T N -1.310 113.213 114.554 -0.052 0.000 2.857 198 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 198 T C 2.126 176.521 174.700 -0.509 0.000 1.048 198 T CA 1.252 63.160 62.100 -0.320 0.000 1.139 198 T CB -0.941 67.857 68.868 -0.117 0.000 0.874 198 T HN 0.246 nan 8.240 nan 0.000 0.455 199 I N 1.285 121.683 120.570 -0.286 0.000 2.151 199 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 199 I C 3.144 179.097 176.117 -0.273 0.000 1.080 199 I CA 1.827 62.973 61.300 -0.256 0.000 1.339 199 I CB -0.440 37.464 38.000 -0.159 0.000 1.039 199 I HN 0.240 nan 8.210 nan 0.000 0.409 200 R N 0.712 121.088 120.500 -0.206 0.000 2.092 200 R HA -0.169 4.171 4.340 -0.000 0.000 0.231 200 R C 2.072 178.229 176.300 -0.238 0.000 1.119 200 R CA 1.343 57.355 56.100 -0.147 0.000 0.970 200 R CB 0.007 30.295 30.300 -0.020 0.000 0.864 200 R HN 0.294 nan 8.270 nan 0.000 0.440 201 E N 0.315 120.243 120.200 -0.453 0.000 2.158 201 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 201 E C 1.816 177.807 176.600 -1.016 0.000 0.982 201 E CA 1.027 57.024 56.400 -0.673 0.000 0.823 201 E CB -0.168 28.960 29.700 -0.953 0.000 0.766 201 E HN 0.424 nan 8.360 nan 0.000 0.468 202 A N 1.765 123.866 122.820 -1.198 0.000 1.858 202 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 202 A C 2.461 179.839 177.584 -0.343 0.000 1.190 202 A CA 2.196 53.782 52.037 -0.752 0.000 0.617 202 A CB -0.769 17.921 19.000 -0.517 0.000 0.827 202 A HN 0.262 nan 8.150 nan 0.000 0.443 203 A N -0.390 122.273 122.820 -0.260 0.000 1.892 203 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 203 A C 2.416 179.958 177.584 -0.071 0.000 1.188 203 A CA 3.493 55.455 52.037 -0.126 0.000 0.631 203 A CB -1.153 17.787 19.000 -0.099 0.000 0.822 203 A HN 0.818 nan 8.150 nan 0.000 0.447 204 K N -0.719 119.645 120.400 -0.060 0.000 2.063 204 K HA 0.109 4.429 4.320 -0.000 0.000 0.208 204 K C 2.390 179.081 176.600 0.151 0.000 1.048 204 K CA 2.151 58.488 56.287 0.083 0.000 0.928 204 K CB -1.433 31.201 32.500 0.224 0.000 0.713 204 K HN 1.015 nan 8.250 nan 0.000 0.442 205 A N 0.224 123.081 122.820 0.063 0.000 1.898 205 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 205 A C 2.167 179.781 177.584 0.049 0.000 1.181 205 A CA 1.445 53.502 52.037 0.033 0.000 0.620 205 A CB -0.142 18.506 19.000 -0.587 0.000 0.819 205 A HN 0.352 nan 8.150 nan 0.000 0.442 206 L N -0.658 120.571 121.223 0.010 0.000 2.610 206 L HA 0.151 4.491 4.340 -0.000 0.000 0.232 206 L C 1.911 178.812 176.870 0.051 0.000 1.149 206 L CA 1.104 55.974 54.840 0.049 0.000 0.872 206 L CB -1.119 40.953 42.059 0.021 0.000 0.992 206 L HN 0.662 nan 8.230 nan 0.000 0.447 207 G N -0.327 108.503 108.800 0.051 0.000 2.175 207 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.265 207 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.265 207 G C 0.617 175.533 174.900 0.026 0.000 0.979 207 G CA 0.427 45.553 45.100 0.043 0.000 0.663 207 G HN 0.373 nan 8.290 nan 0.000 0.533 208 I N 1.195 121.773 120.570 0.014 0.000 2.471 208 I HA 0.200 4.370 4.170 -0.000 0.000 0.286 208 I C 0.157 176.273 176.117 -0.002 0.000 1.079 208 I CA -0.425 60.877 61.300 0.003 0.000 1.398 208 I CB 0.879 38.874 38.000 -0.007 0.000 1.403 208 I HN 0.014 nan 8.210 nan 0.000 0.530 209 D N 6.844 127.245 120.400 0.001 0.000 2.347 209 D HA 0.192 4.832 4.640 -0.000 0.000 0.235 209 D C 0.662 176.958 176.300 -0.007 0.000 1.149 209 D CA -0.111 53.888 54.000 -0.002 0.000 0.850 209 D CB 1.181 41.983 40.800 0.003 0.000 1.061 209 D HN 0.416 nan 8.370 nan 0.000 0.487 210 L N 2.910 124.125 121.223 -0.014 0.000 2.395 210 L HA 0.033 4.373 4.340 -0.000 0.000 0.218 210 L C 0.987 177.848 176.870 -0.015 0.000 1.130 210 L CA 0.373 55.202 54.840 -0.019 0.000 0.826 210 L CB -0.203 41.837 42.059 -0.032 0.000 0.941 210 L HN 0.179 nan 8.230 nan 0.000 0.451 211 K N 0.771 121.165 120.400 -0.010 0.000 2.447 211 K HA 0.211 4.531 4.320 -0.000 0.000 0.281 211 K C 1.166 177.761 176.600 -0.007 0.000 1.031 211 K CA 0.639 56.922 56.287 -0.008 0.000 1.019 211 K CB 0.269 32.767 32.500 -0.004 0.000 0.918 211 K HN 0.215 nan 8.250 nan 0.000 0.476 212 G N 1.878 110.673 108.800 -0.009 0.000 2.253 212 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.251 212 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.251 212 G C -0.025 174.872 174.900 -0.006 0.000 0.998 212 G CA -0.068 45.028 45.100 -0.007 0.000 0.621 212 G HN 0.453 nan 8.290 nan 0.000 0.524 213 K N 1.041 121.437 120.400 -0.007 0.000 2.168 213 K HA 0.500 4.819 4.320 -0.000 0.000 0.258 213 K C 0.588 177.185 176.600 -0.005 0.000 1.010 213 K CA -0.198 56.086 56.287 -0.004 0.000 0.929 213 K CB 0.770 33.266 32.500 -0.007 0.000 0.998 213 K HN 0.400 nan 8.250 nan 0.000 0.479 214 K N 1.128 121.530 120.400 0.003 0.000 2.143 214 K HA 0.441 4.761 4.320 -0.000 0.000 0.272 214 K C -0.031 176.572 176.600 0.006 0.000 1.001 214 K CA -0.481 55.811 56.287 0.008 0.000 0.915 214 K CB 1.117 33.634 32.500 0.029 0.000 1.047 214 K HN 0.508 nan 8.250 nan 0.000 0.458 215 I N 0.676 121.249 120.570 0.005 0.000 2.608 215 I HA 0.529 4.699 4.170 -0.000 0.000 0.295 215 I C -1.474 174.654 176.117 0.018 0.000 1.049 215 I CA -0.591 60.711 61.300 0.003 0.000 1.063 215 I CB 1.723 39.715 38.000 -0.013 0.000 1.248 215 I HN 0.745 nan 8.210 nan 0.000 0.424 216 A N 6.557 129.391 122.820 0.024 0.000 2.355 216 A HA 0.827 5.147 4.320 -0.000 0.000 0.324 216 A C -1.507 176.095 177.584 0.030 0.000 1.117 216 A CA -0.518 51.540 52.037 0.035 0.000 0.785 216 A CB 1.782 20.809 19.000 0.045 0.000 1.254 216 A HN 0.478 nan 8.150 nan 0.000 0.453 217 V N 2.334 122.274 119.914 0.043 0.000 2.483 217 V HA 0.347 4.467 4.120 -0.000 0.000 0.297 217 V C -0.143 175.994 176.094 0.071 0.000 1.027 217 V CA -0.507 61.827 62.300 0.056 0.000 0.855 217 V CB 1.493 33.367 31.823 0.084 0.000 0.995 217 V HN 0.977 nan 8.190 nan 0.000 0.424 218 Q N 2.835 122.669 119.800 0.057 0.000 2.267 218 Q HA 0.586 4.926 4.340 -0.000 0.000 0.255 218 Q C 0.263 176.312 176.000 0.081 0.000 0.923 218 Q CA 0.601 56.441 55.803 0.060 0.000 0.925 218 Q CB 1.493 30.254 28.738 0.039 0.000 1.195 218 Q HN 1.231 nan 8.270 nan 0.000 0.417 219 G N 2.799 111.663 108.800 0.108 0.000 2.895 219 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.686 219 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.686 219 G C -1.368 173.676 174.900 0.241 0.000 1.108 219 G CA -0.559 44.620 45.100 0.131 0.000 0.761 219 G HN 0.639 nan 8.290 nan 0.000 0.611 220 Y N 2.167 122.487 120.300 0.034 0.000 2.658 220 Y HA 0.498 5.048 4.550 -0.000 0.000 0.273 220 Y C 1.303 177.232 175.900 0.048 0.000 0.992 220 Y CA 0.283 58.411 58.100 0.046 0.000 1.105 220 Y CB 0.246 38.726 38.460 0.034 0.000 1.188 220 Y HN 0.995 nan 8.280 nan 0.000 0.616 221 G N 0.051 108.850 108.800 -0.002 0.000 2.504 221 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.257 221 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.257 221 G C 1.031 175.899 174.900 -0.053 0.000 1.451 221 G CA -0.113 44.969 45.100 -0.030 0.000 1.059 221 G HN 0.346 nan 8.290 nan 0.000 0.550 222 N N -0.391 118.324 118.700 0.025 0.000 2.104 222 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 222 N C 2.368 177.989 175.510 0.185 0.000 1.024 222 N CA 1.492 54.636 53.050 0.156 0.000 0.853 222 N CB -0.147 38.437 38.487 0.161 0.000 1.008 222 N HN 0.406 nan 8.380 nan 0.000 0.424 223 A N 0.391 123.254 122.820 0.073 0.000 1.872 223 A HA 0.067 4.387 4.320 -0.000 0.000 0.214 223 A C 2.337 179.922 177.584 0.002 0.000 1.187 223 A CA 1.680 53.742 52.037 0.041 0.000 0.614 223 A CB -1.205 17.801 19.000 0.010 0.000 0.826 223 A HN 0.438 nan 8.150 nan 0.000 0.442 224 G N -1.242 107.546 108.800 -0.021 0.000 2.446 224 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 224 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 224 G C 1.562 176.365 174.900 -0.161 0.000 1.168 224 G CA 1.383 46.465 45.100 -0.031 0.000 0.771 224 G HN 0.576 nan 8.290 nan 0.000 0.551 225 Y N 0.666 120.636 120.300 -0.549 0.000 2.097 225 Y HA -0.202 4.348 4.550 -0.000 0.000 0.282 225 Y C 2.524 178.176 175.900 -0.412 0.000 1.152 225 Y CA 1.590 59.212 58.100 -0.796 0.000 1.136 225 Y CB -0.595 37.314 38.460 -0.918 0.000 0.975 225 Y HN 0.261 nan 8.280 nan 0.000 0.498 226 Y N -0.075 119.891 120.300 -0.557 0.000 2.373 226 Y HA -0.115 4.435 4.550 -0.000 0.000 0.293 226 Y C 2.618 178.316 175.900 -0.336 0.000 1.129 226 Y CA 1.632 59.414 58.100 -0.529 0.000 1.226 226 Y CB -0.764 37.525 38.460 -0.284 0.000 1.000 226 Y HN 0.105 nan 8.280 nan 0.000 0.549 227 T N -0.198 114.296 114.554 -0.100 0.000 2.708 227 T HA -0.236 4.114 4.350 -0.000 0.000 0.266 227 T C 2.269 176.905 174.700 -0.107 0.000 1.037 227 T CA 1.379 63.424 62.100 -0.091 0.000 1.146 227 T CB -0.603 68.231 68.868 -0.056 0.000 0.865 227 T HN 0.430 nan 8.240 nan 0.000 0.435 228 A N 1.647 124.400 122.820 -0.111 0.000 1.865 228 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 228 A C 2.235 179.742 177.584 -0.128 0.000 1.191 228 A CA 2.093 54.087 52.037 -0.071 0.000 0.623 228 A CB -0.605 18.423 19.000 0.048 0.000 0.826 228 A HN 0.479 nan 8.150 nan 0.000 0.444 229 K N -1.067 119.175 120.400 -0.263 0.000 2.026 229 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 229 K C 1.773 178.285 176.600 -0.148 0.000 1.048 229 K CA 1.456 57.588 56.287 -0.258 0.000 0.929 229 K CB -0.237 31.945 32.500 -0.530 0.000 0.713 229 K HN 0.289 nan 8.250 nan 0.000 0.439 230 L N 0.749 121.891 121.223 -0.135 0.000 2.156 230 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 230 L C 2.385 179.196 176.870 -0.099 0.000 1.095 230 L CA 1.728 56.507 54.840 -0.103 0.000 0.770 230 L CB -1.145 40.839 42.059 -0.124 0.000 0.914 230 L HN 0.244 nan 8.230 nan 0.000 0.439 231 A N -0.656 122.105 122.820 -0.098 0.000 1.902 231 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 231 A C 2.447 179.997 177.584 -0.057 0.000 1.181 231 A CA 1.843 53.833 52.037 -0.078 0.000 0.623 231 A CB -0.421 18.537 19.000 -0.070 0.000 0.818 231 A HN 0.354 nan 8.150 nan 0.000 0.443 232 K N -0.230 120.137 120.400 -0.056 0.000 1.991 232 K HA -0.206 4.114 4.320 -0.000 0.000 0.212 232 K C 1.984 178.564 176.600 -0.033 0.000 1.049 232 K CA 1.968 58.230 56.287 -0.041 0.000 0.932 232 K CB -0.196 32.279 32.500 -0.042 0.000 0.717 232 K HN 0.636 nan 8.250 nan 0.000 0.441 233 E N -0.253 119.925 120.200 -0.038 0.000 2.076 233 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 233 E C 2.298 178.887 176.600 -0.018 0.000 0.979 233 E CA 0.956 57.342 56.400 -0.023 0.000 0.807 233 E CB 0.129 29.817 29.700 -0.020 0.000 0.761 233 E HN 0.397 nan 8.360 nan 0.000 0.454 234 Q N 0.191 119.973 119.800 -0.029 0.000 2.165 234 Q HA 0.053 4.393 4.340 -0.000 0.000 0.197 234 Q C 2.132 178.125 176.000 -0.012 0.000 0.952 234 Q CA 0.722 56.514 55.803 -0.018 0.000 0.848 234 Q CB 0.263 28.979 28.738 -0.037 0.000 0.931 234 Q HN 0.259 nan 8.270 nan 0.000 0.470 235 L N -0.807 120.399 121.223 -0.028 0.000 2.529 235 L HA 0.244 4.584 4.340 -0.000 0.000 0.223 235 L C 0.967 177.826 176.870 -0.018 0.000 1.113 235 L CA 0.395 55.221 54.840 -0.023 0.000 0.861 235 L CB 0.101 42.136 42.059 -0.041 0.000 1.012 235 L HN 0.394 nan 8.230 nan 0.000 0.461 236 G N 0.732 109.521 108.800 -0.018 0.000 2.160 236 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 236 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 236 G C 0.138 175.028 174.900 -0.017 0.000 1.022 236 G CA 0.048 45.140 45.100 -0.014 0.000 0.741 236 G HN 0.209 nan 8.290 nan 0.000 0.508 237 M N 0.064 119.650 119.600 -0.023 0.000 2.368 237 M HA 0.471 4.951 4.480 -0.000 0.000 0.311 237 M C 0.350 176.636 176.300 -0.023 0.000 1.168 237 M CA -0.164 55.122 55.300 -0.023 0.000 1.044 237 M CB 1.375 33.958 32.600 -0.029 0.000 1.506 237 M HN 0.062 nan 8.290 nan 0.000 0.475 238 T N 1.541 116.083 114.554 -0.020 0.000 2.758 238 T HA 0.379 4.729 4.350 -0.000 0.000 0.285 238 T C -0.352 174.333 174.700 -0.025 0.000 0.981 238 T CA -0.574 61.512 62.100 -0.024 0.000 0.965 238 T CB 0.702 69.555 68.868 -0.024 0.000 0.927 238 T HN 0.355 nan 8.240 nan 0.000 0.448 239 V N 5.469 125.364 119.914 -0.030 0.000 2.356 239 V HA 0.084 4.204 4.120 -0.000 0.000 0.258 239 V C 1.522 177.590 176.094 -0.044 0.000 1.065 239 V CA -0.176 62.108 62.300 -0.027 0.000 0.935 239 V CB 0.289 32.097 31.823 -0.025 0.000 1.061 239 V HN 0.894 nan 8.190 nan 0.000 0.484 240 V N 1.960 121.859 119.914 -0.024 0.000 3.235 240 V HA 0.620 4.740 4.120 -0.000 0.000 0.259 240 V C 0.772 176.869 176.094 0.006 0.000 1.133 240 V CA 0.909 63.175 62.300 -0.055 0.000 1.128 240 V CB -0.016 31.811 31.823 0.006 0.000 0.757 240 V HN 0.820 nan 8.190 nan 0.000 0.469 241 A N 0.220 123.071 122.820 0.052 0.000 2.547 241 A HA 0.818 5.138 4.320 -0.000 0.000 0.297 241 A C -0.828 176.760 177.584 0.007 0.000 1.056 241 A CA 0.091 52.170 52.037 0.070 0.000 0.688 241 A CB 1.980 21.084 19.000 0.173 0.000 1.282 241 A HN 1.451 nan 8.150 nan 0.000 0.400 242 V N -0.692 119.190 119.914 -0.053 0.000 3.160 242 V HA 1.030 5.150 4.120 -0.000 0.000 0.310 242 V C -0.299 175.748 176.094 -0.079 0.000 1.181 242 V CA -0.051 62.206 62.300 -0.072 0.000 1.047 242 V CB 1.544 33.229 31.823 -0.230 0.000 1.068 242 V HN 2.095 nan 8.190 nan 0.000 0.441 243 S N 0.388 116.075 115.700 -0.023 0.000 2.625 243 S HA 0.912 5.382 4.470 -0.000 0.000 0.271 243 S C -1.280 173.358 174.600 0.063 0.000 1.161 243 S CA -0.118 58.084 58.200 0.004 0.000 0.820 243 S CB 2.067 65.283 63.200 0.027 0.000 1.137 243 S HN 1.570 nan 8.310 nan 0.000 0.470 244 D N -0.787 119.652 120.400 0.065 0.000 3.009 244 D HA 0.464 5.104 4.640 -0.000 0.000 0.318 244 D C 1.264 177.603 176.300 0.066 0.000 1.273 244 D CA 0.048 54.102 54.000 0.091 0.000 1.001 244 D CB 0.105 40.977 40.800 0.120 0.000 1.411 244 D HN 0.603 nan 8.370 nan 0.000 0.577 245 S N -0.844 114.894 115.700 0.064 0.000 2.402 245 S HA -0.219 4.251 4.470 -0.000 0.000 0.233 245 S C 1.301 175.930 174.600 0.048 0.000 1.030 245 S CA 0.870 59.102 58.200 0.052 0.000 1.003 245 S CB -0.507 62.723 63.200 0.049 0.000 0.813 245 S HN 0.464 nan 8.310 nan 0.000 0.477 246 R N 1.420 121.952 120.500 0.054 0.000 2.317 246 R HA 0.404 4.744 4.340 -0.000 0.000 0.208 246 R C 0.972 177.304 176.300 0.054 0.000 0.914 246 R CA 0.515 56.647 56.100 0.053 0.000 1.060 246 R CB 0.360 30.695 30.300 0.058 0.000 1.015 246 R HN 0.580 nan 8.270 nan 0.000 0.498 247 G N -0.645 108.186 108.800 0.051 0.000 2.359 247 G HA2 0.199 4.159 3.960 -0.000 0.000 0.314 247 G HA3 0.199 4.159 3.960 -0.000 0.000 0.314 247 G C -1.045 173.878 174.900 0.037 0.000 1.364 247 G CA -0.622 44.505 45.100 0.044 0.000 0.978 247 G HN 0.191 nan 8.290 nan 0.000 0.615 248 G N -1.132 107.686 108.800 0.031 0.000 2.597 248 G HA2 0.960 4.920 3.960 -0.000 0.000 0.317 248 G HA3 0.960 4.920 3.960 -0.000 0.000 0.317 248 G C -0.201 174.716 174.900 0.028 0.000 1.230 248 G CA -0.282 44.830 45.100 0.020 0.000 0.996 248 G HN 1.713 nan 8.290 nan 0.000 0.490 249 I N -2.629 117.953 120.570 0.021 0.000 2.802 249 I HA 0.721 4.891 4.170 -0.000 0.000 0.298 249 I C -2.066 174.113 176.117 0.102 0.000 1.176 249 I CA -1.298 60.030 61.300 0.047 0.000 1.025 249 I CB 2.705 40.704 38.000 -0.002 0.000 1.243 249 I HN 0.476 nan 8.210 nan 0.000 0.424 250 Y N 4.559 124.847 120.300 -0.021 0.000 2.406 250 Y HA 0.605 5.155 4.550 -0.000 0.000 0.340 250 Y C -1.561 174.335 175.900 -0.007 0.000 0.975 250 Y CA -0.749 57.340 58.100 -0.019 0.000 1.056 250 Y CB 1.780 40.231 38.460 -0.015 0.000 1.210 250 Y HN 0.766 nan 8.280 nan 0.000 0.448 251 N N 7.899 126.197 118.700 -0.669 0.000 2.549 251 N HA 0.287 5.027 4.740 -0.000 0.000 0.290 251 N C -2.580 172.497 175.510 -0.722 0.000 1.122 251 N CA -1.915 50.748 53.050 -0.645 0.000 0.885 251 N CB 2.848 41.187 38.487 -0.247 0.000 1.455 251 N HN 0.392 nan 8.380 nan 0.000 0.521 252 P HA -0.064 nan 4.420 nan 0.000 0.221 252 P C 0.228 177.414 177.300 -0.190 0.000 1.145 252 P CA 1.133 64.004 63.100 -0.382 0.000 0.795 252 P CB 0.628 32.230 31.700 -0.162 0.000 0.775 253 D N -0.691 119.601 120.400 -0.179 0.000 2.354 253 D HA 0.206 4.846 4.640 -0.000 0.000 0.209 253 D C 1.186 177.434 176.300 -0.086 0.000 1.015 253 D CA 0.852 54.792 54.000 -0.101 0.000 0.867 253 D CB 0.573 41.324 40.800 -0.082 0.000 0.933 253 D HN 0.194 nan 8.370 nan 0.000 0.520 254 G N 0.320 109.053 108.800 -0.113 0.000 2.528 254 G HA2 0.018 3.978 3.960 -0.000 0.000 0.681 254 G HA3 0.018 3.978 3.960 -0.000 0.000 0.681 254 G C -1.364 173.498 174.900 -0.063 0.000 1.340 254 G CA -0.936 44.117 45.100 -0.078 0.000 0.855 254 G HN 0.065 nan 8.290 nan 0.000 0.649 255 L N 0.494 121.680 121.223 -0.060 0.000 2.342 255 L HA 0.614 4.954 4.340 -0.000 0.000 0.271 255 L C -0.273 176.574 176.870 -0.038 0.000 1.008 255 L CA -0.969 53.835 54.840 -0.059 0.000 0.818 255 L CB 2.244 44.217 42.059 -0.143 0.000 1.296 255 L HN 0.720 nan 8.230 nan 0.000 0.427 256 D N 2.255 122.646 120.400 -0.014 0.000 2.317 256 D HA 0.271 4.911 4.640 -0.000 0.000 0.234 256 D C -1.857 174.448 176.300 0.008 0.000 1.112 256 D CA -1.578 52.431 54.000 0.015 0.000 0.840 256 D CB 1.834 42.671 40.800 0.062 0.000 1.078 256 D HN 0.158 nan 8.370 nan 0.000 0.486 257 P HA -0.103 nan 4.420 nan 0.000 0.218 257 P C 0.522 177.998 177.300 0.293 0.000 1.148 257 P CA 0.800 64.013 63.100 0.188 0.000 0.822 257 P CB 0.287 32.046 31.700 0.098 0.000 0.784 258 D N -0.788 119.735 120.400 0.204 0.000 2.194 258 D HA -0.094 4.546 4.640 -0.000 0.000 0.204 258 D C 1.829 178.200 176.300 0.118 0.000 0.964 258 D CA 0.879 54.978 54.000 0.165 0.000 0.846 258 D CB -0.101 40.775 40.800 0.127 0.000 0.962 258 D HN 0.316 nan 8.370 nan 0.000 0.490 259 E N 0.528 120.799 120.200 0.119 0.000 2.051 259 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 259 E C 2.313 179.014 176.600 0.168 0.000 0.991 259 E CA 0.887 57.399 56.400 0.187 0.000 0.799 259 E CB 0.052 29.916 29.700 0.273 0.000 0.748 259 E HN 0.151 nan 8.360 nan 0.000 0.449 260 V N 0.587 120.423 119.914 -0.130 0.000 2.719 260 V HA -0.125 3.995 4.120 -0.000 0.000 0.252 260 V C 2.107 178.236 176.094 0.058 0.000 1.065 260 V CA 1.017 63.121 62.300 -0.326 0.000 1.086 260 V CB -0.152 31.154 31.823 -0.863 0.000 0.700 260 V HN 0.157 nan 8.190 nan 0.000 0.467 261 L N 0.836 122.165 121.223 0.177 0.000 2.046 261 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 261 L C 2.549 179.459 176.870 0.067 0.000 1.077 261 L CA 2.211 57.140 54.840 0.148 0.000 0.747 261 L CB -0.893 41.075 42.059 -0.152 0.000 0.896 261 L HN 0.298 nan 8.230 nan 0.000 0.432 262 K N -1.281 119.177 120.400 0.095 0.000 2.057 262 K HA -0.248 4.072 4.320 -0.000 0.000 0.207 262 K C 2.022 178.731 176.600 0.181 0.000 1.049 262 K CA 1.859 58.211 56.287 0.109 0.000 0.931 262 K CB -0.533 32.050 32.500 0.140 0.000 0.714 262 K HN 0.575 nan 8.250 nan 0.000 0.440 263 W N 2.512 123.892 121.300 0.133 0.000 2.358 263 W HA -0.247 4.412 4.660 -0.000 0.000 0.303 263 W C 1.854 178.472 176.519 0.165 0.000 1.208 263 W CA 1.541 59.016 57.345 0.217 0.000 1.274 263 W CB -0.060 29.616 29.460 0.360 0.000 1.138 263 W HN 0.027 nan 8.180 nan 0.000 0.515 264 K N 0.654 121.132 120.400 0.128 0.000 2.002 264 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 264 K C 2.351 178.911 176.600 -0.066 0.000 1.048 264 K CA 1.780 58.083 56.287 0.026 0.000 0.930 264 K CB -0.433 32.147 32.500 0.134 0.000 0.714 264 K HN -0.034 nan 8.250 nan 0.000 0.438 265 R N 0.475 120.945 120.500 -0.051 0.000 2.117 265 R HA -0.153 4.187 4.340 -0.000 0.000 0.243 265 R C 2.391 178.596 176.300 -0.160 0.000 1.143 265 R CA 1.739 57.785 56.100 -0.090 0.000 0.968 265 R CB -0.118 30.136 30.300 -0.076 0.000 0.863 265 R HN 0.388 nan 8.270 nan 0.000 0.444 266 E N -0.727 119.341 120.200 -0.220 0.000 2.046 266 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 266 E C 1.039 177.263 176.600 -0.626 0.000 0.982 266 E CA 1.340 57.506 56.400 -0.391 0.000 0.800 266 E CB 0.161 29.625 29.700 -0.393 0.000 0.756 266 E HN 0.482 nan 8.360 nan 0.000 0.449 267 H N -2.491 116.275 119.070 -0.507 0.000 2.827 267 H HA 0.203 4.759 4.556 -0.000 0.000 0.269 267 H C 0.947 176.114 175.328 -0.268 0.000 1.031 267 H CA 0.560 56.306 56.048 -0.503 0.000 1.202 267 H CB 1.562 30.763 29.762 -0.935 0.000 1.511 267 H HN 0.366 nan 8.280 nan 0.000 0.517 268 G N -0.020 108.702 108.800 -0.130 0.000 2.279 268 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.223 268 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.223 268 G C 0.410 175.311 174.900 0.002 0.000 1.015 268 G CA 0.310 45.379 45.100 -0.050 0.000 0.621 268 G HN 0.533 nan 8.290 nan 0.000 0.506 269 S N -1.442 114.271 115.700 0.022 0.000 2.607 269 S HA 0.578 5.048 4.470 -0.000 0.000 0.273 269 S C 1.351 176.049 174.600 0.164 0.000 1.148 269 S CA 0.698 58.950 58.200 0.086 0.000 0.833 269 S CB 1.631 64.890 63.200 0.098 0.000 1.130 269 S HN 1.642 nan 8.310 nan 0.000 0.470 270 V N 0.763 120.769 119.914 0.152 0.000 3.078 270 V HA 0.253 4.373 4.120 -0.000 0.000 0.265 270 V C 0.995 177.264 176.094 0.293 0.000 1.122 270 V CA 0.935 63.340 62.300 0.175 0.000 1.141 270 V CB -1.109 30.632 31.823 -0.136 0.000 0.735 270 V HN 0.718 nan 8.190 nan 0.000 0.498 271 K N 0.890 121.448 120.400 0.263 0.000 2.436 271 K HA 0.003 4.323 4.320 -0.000 0.000 0.275 271 K C 0.414 177.238 176.600 0.373 0.000 0.999 271 K CA 0.788 57.214 56.287 0.232 0.000 0.980 271 K CB 0.064 32.658 32.500 0.157 0.000 0.919 271 K HN 0.489 nan 8.250 nan 0.000 0.484 272 D N 1.644 122.152 120.400 0.181 0.000 3.041 272 D HA -0.250 4.390 4.640 -0.000 0.000 0.220 272 D C -0.321 175.830 176.300 -0.248 0.000 1.157 272 D CA 0.752 54.798 54.000 0.077 0.000 0.876 272 D CB -1.573 39.334 40.800 0.179 0.000 1.107 272 D HN 0.450 nan 8.370 nan 0.000 0.422 273 F N 0.955 120.531 119.950 -0.622 0.000 2.593 273 F HA 0.103 4.630 4.527 -0.000 0.000 0.393 273 F C -1.260 174.060 175.800 -0.800 0.000 1.037 273 F CA -1.123 56.117 58.000 -1.266 0.000 1.195 273 F CB 0.778 39.373 39.000 -0.675 0.000 1.034 273 F HN -0.182 nan 8.300 nan 0.000 0.552 274 P HA -0.048 nan 4.420 nan 0.000 0.218 274 P C 1.105 177.944 177.300 -0.767 0.000 1.149 274 P CA 1.546 64.124 63.100 -0.870 0.000 0.817 274 P CB 0.090 31.326 31.700 -0.773 0.000 0.785 275 G N -1.551 106.498 108.800 -1.251 0.000 3.332 275 G HA2 0.413 4.373 3.960 -0.000 0.000 0.242 275 G HA3 0.413 4.373 3.960 -0.000 0.000 0.242 275 G C 0.216 175.018 174.900 -0.165 0.000 1.276 275 G CA 0.449 45.166 45.100 -0.638 0.000 0.988 275 G HN 0.440 nan 8.290 nan 0.000 0.517 276 A N -0.774 121.965 122.820 -0.134 0.000 2.588 276 A HA 0.835 5.155 4.320 -0.000 0.000 0.290 276 A C -0.270 177.296 177.584 -0.029 0.000 1.136 276 A CA -0.570 51.470 52.037 0.006 0.000 0.681 276 A CB 0.771 19.869 19.000 0.165 0.000 1.282 276 A HN 0.216 nan 8.150 nan 0.000 0.421 277 T N 0.561 115.132 114.554 0.027 0.000 2.929 277 T HA 0.448 4.798 4.350 -0.000 0.000 0.284 277 T C -0.028 174.714 174.700 0.070 0.000 1.014 277 T CA -0.659 61.469 62.100 0.046 0.000 1.051 277 T CB 0.645 69.567 68.868 0.089 0.000 1.028 277 T HN 0.596 nan 8.240 nan 0.000 0.485 278 N N 1.314 120.041 118.700 0.045 0.000 2.513 278 N HA 0.449 5.189 4.740 -0.000 0.000 0.268 278 N C -0.119 175.419 175.510 0.047 0.000 1.180 278 N CA -0.445 52.634 53.050 0.049 0.000 0.948 278 N CB 0.493 39.002 38.487 0.037 0.000 1.083 278 N HN 0.630 nan 8.380 nan 0.000 0.455 279 I N -2.258 118.338 120.570 0.044 0.000 3.108 279 I HA 0.545 4.715 4.170 -0.000 0.000 0.312 279 I C 0.241 176.364 176.117 0.010 0.000 1.095 279 I CA -1.021 60.285 61.300 0.010 0.000 1.000 279 I CB 1.941 39.928 38.000 -0.021 0.000 1.229 279 I HN 0.347 nan 8.210 nan 0.000 0.454 280 T N -0.908 113.645 114.554 -0.003 0.000 2.849 280 T HA 0.233 4.583 4.350 -0.000 0.000 0.284 280 T C 0.813 175.515 174.700 0.004 0.000 1.004 280 T CA -0.531 61.572 62.100 0.004 0.000 1.021 280 T CB 0.975 69.843 68.868 -0.001 0.000 1.013 280 T HN 0.671 nan 8.240 nan 0.000 0.527 281 N N 0.515 119.222 118.700 0.012 0.000 2.094 281 N HA -0.164 4.576 4.740 -0.000 0.000 0.191 281 N C 1.741 177.254 175.510 0.005 0.000 1.023 281 N CA 1.540 54.598 53.050 0.013 0.000 0.857 281 N CB -0.294 38.205 38.487 0.020 0.000 1.013 281 N HN 0.790 nan 8.380 nan 0.000 0.426 282 E N 1.484 121.685 120.200 0.001 0.000 2.072 282 E HA -0.114 4.235 4.350 -0.000 0.000 0.191 282 E C 1.607 178.197 176.600 -0.016 0.000 0.985 282 E CA 1.202 57.599 56.400 -0.004 0.000 0.801 282 E CB -0.110 29.588 29.700 -0.004 0.000 0.750 282 E HN 0.361 nan 8.360 nan 0.000 0.452 283 E N 0.130 120.314 120.200 -0.026 0.000 2.097 283 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 283 E C 2.254 178.820 176.600 -0.057 0.000 1.000 283 E CA 1.212 57.581 56.400 -0.051 0.000 0.804 283 E CB -0.293 29.367 29.700 -0.066 0.000 0.740 283 E HN 0.313 nan 8.360 nan 0.000 0.454 284 L N 0.956 122.161 121.223 -0.031 0.000 2.012 284 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 284 L C 2.255 179.121 176.870 -0.007 0.000 1.073 284 L CA 1.195 56.028 54.840 -0.012 0.000 0.748 284 L CB -0.119 41.946 42.059 0.011 0.000 0.891 284 L HN 0.157 nan 8.230 nan 0.000 0.431 285 L N -0.517 120.704 121.223 -0.004 0.000 2.131 285 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 285 L C 2.020 178.887 176.870 -0.006 0.000 1.092 285 L CA 1.297 56.137 54.840 -0.000 0.000 0.759 285 L CB -0.475 41.586 42.059 0.003 0.000 0.903 285 L HN 0.365 nan 8.230 nan 0.000 0.435 286 E N -0.191 119.997 120.200 -0.018 0.000 2.479 286 E HA 0.137 4.487 4.350 -0.000 0.000 0.193 286 E C 0.352 176.933 176.600 -0.031 0.000 1.049 286 E CA -0.297 56.090 56.400 -0.022 0.000 0.870 286 E CB 0.271 29.955 29.700 -0.027 0.000 0.944 286 E HN 0.405 nan 8.360 nan 0.000 0.492 287 L N 1.719 122.921 121.223 -0.035 0.000 2.483 287 L HA 0.029 4.369 4.340 -0.000 0.000 0.275 287 L C 0.849 177.713 176.870 -0.009 0.000 1.220 287 L CA 0.243 55.060 54.840 -0.039 0.000 0.833 287 L CB 0.279 42.323 42.059 -0.024 0.000 1.102 287 L HN 0.081 nan 8.230 nan 0.000 0.490 288 E N 2.585 122.783 120.200 -0.003 0.000 1.802 288 E HA 0.254 4.604 4.350 -0.000 0.000 0.265 288 E C -0.978 175.639 176.600 0.027 0.000 1.168 288 E CA -0.430 55.977 56.400 0.012 0.000 1.033 288 E CB 0.281 29.988 29.700 0.011 0.000 1.095 288 E HN 0.399 nan 8.360 nan 0.000 0.436 289 V N 0.456 120.384 119.914 0.024 0.000 3.019 289 V HA 0.358 4.478 4.120 -0.000 0.000 0.317 289 V C 0.486 176.588 176.094 0.013 0.000 1.094 289 V CA -0.806 61.510 62.300 0.026 0.000 1.000 289 V CB 1.895 33.736 31.823 0.029 0.000 1.060 289 V HN 0.243 nan 8.190 nan 0.000 0.443 290 D N 0.608 121.012 120.400 0.008 0.000 2.149 290 D HA 0.097 4.737 4.640 -0.000 0.000 0.201 290 D C 0.404 176.698 176.300 -0.010 0.000 0.972 290 D CA 1.383 55.382 54.000 -0.001 0.000 0.835 290 D CB 0.246 41.042 40.800 -0.007 0.000 0.966 290 D HN 0.439 nan 8.370 nan 0.000 0.476 291 V N 1.166 121.073 119.914 -0.011 0.000 2.531 291 V HA 0.372 4.492 4.120 -0.000 0.000 0.301 291 V C -0.862 175.227 176.094 -0.008 0.000 1.034 291 V CA -1.020 61.268 62.300 -0.019 0.000 0.865 291 V CB 2.241 34.043 31.823 -0.035 0.000 0.995 291 V HN -0.072 nan 8.190 nan 0.000 0.424 292 L N 4.634 125.854 121.223 -0.006 0.000 2.313 292 L HA 0.923 5.263 4.340 -0.000 0.000 0.283 292 L C 0.116 176.984 176.870 -0.004 0.000 1.013 292 L CA -0.172 54.668 54.840 0.001 0.000 0.816 292 L CB 1.537 43.600 42.059 0.007 0.000 1.236 292 L HN 0.742 nan 8.230 nan 0.000 0.419 293 A N 6.417 129.237 122.820 -0.000 0.000 2.508 293 A HA 0.734 5.054 4.320 -0.000 0.000 0.336 293 A C -2.640 174.949 177.584 0.008 0.000 1.360 293 A CA -1.443 50.591 52.037 -0.005 0.000 0.841 293 A CB -0.097 18.895 19.000 -0.013 0.000 1.136 293 A HN 0.572 nan 8.150 nan 0.000 0.489 294 P HA 0.331 nan 4.420 nan 0.000 0.271 294 P C 0.269 177.575 177.300 0.010 0.000 1.233 294 P CA 0.376 63.483 63.100 0.013 0.000 0.764 294 P CB 1.391 33.097 31.700 0.010 0.000 0.825 295 A N 2.733 125.565 122.820 0.019 0.000 2.543 295 A HA 0.626 4.946 4.320 -0.000 0.000 0.279 295 A C 0.721 178.319 177.584 0.023 0.000 0.917 295 A CA 0.518 52.565 52.037 0.016 0.000 1.036 295 A CB -0.109 18.903 19.000 0.019 0.000 1.227 295 A HN 0.455 nan 8.150 nan 0.000 0.503 296 A N 0.337 123.171 122.820 0.023 0.000 2.185 296 A HA 0.800 5.120 4.320 -0.000 0.000 0.208 296 A C 0.449 178.040 177.584 0.011 0.000 2.237 296 A CA 0.576 52.628 52.037 0.025 0.000 1.587 296 A CB -0.341 18.681 19.000 0.037 0.000 1.091 296 A HN 0.896 nan 8.150 nan 0.000 0.449 297 I N -1.022 119.555 120.570 0.012 0.000 2.982 297 I HA 0.607 4.777 4.170 -0.000 0.000 0.312 297 I C -0.259 175.858 176.117 0.000 0.000 1.041 297 I CA -0.901 60.402 61.300 0.005 0.000 1.053 297 I CB 1.653 39.660 38.000 0.011 0.000 1.248 297 I HN 0.666 nan 8.210 nan 0.000 0.471 298 E N 1.199 121.395 120.200 -0.006 0.000 2.349 298 E HA 0.242 4.592 4.350 -0.000 0.000 0.265 298 E C -0.762 175.838 176.600 -0.000 0.000 1.064 298 E CA -0.517 55.877 56.400 -0.010 0.000 0.886 298 E CB 0.809 30.497 29.700 -0.021 0.000 1.036 298 E HN 0.752 nan 8.360 nan 0.000 0.413 299 E N -0.157 120.044 120.200 0.000 0.000 2.416 299 E HA -0.210 4.140 4.350 -0.000 0.000 0.249 299 E C 0.692 177.297 176.600 0.009 0.000 1.124 299 E CA 0.501 56.904 56.400 0.005 0.000 0.732 299 E CB -1.658 28.046 29.700 0.007 0.000 1.286 299 E HN 0.570 nan 8.360 nan 0.000 0.394 300 V N -3.078 116.841 119.914 0.009 0.000 2.992 300 V HA 0.167 4.287 4.120 -0.000 0.000 0.250 300 V C 1.073 177.174 176.094 0.011 0.000 1.090 300 V CA 0.703 63.010 62.300 0.011 0.000 1.101 300 V CB 0.118 31.949 31.823 0.013 0.000 0.743 300 V HN 0.268 nan 8.190 nan 0.000 0.468 301 I N 2.934 123.511 120.570 0.012 0.000 2.328 301 I HA 0.520 4.690 4.170 -0.000 0.000 0.287 301 I C 0.436 176.560 176.117 0.012 0.000 1.012 301 I CA 0.190 61.498 61.300 0.013 0.000 1.195 301 I CB 1.407 39.417 38.000 0.017 0.000 1.350 301 I HN 0.433 nan 8.210 nan 0.000 0.464 302 T N 0.501 115.061 114.554 0.010 0.000 2.604 302 T HA 0.469 4.819 4.350 -0.000 0.000 0.267 302 T C 1.124 175.828 174.700 0.007 0.000 0.923 302 T CA 0.195 62.300 62.100 0.008 0.000 1.077 302 T CB 1.104 69.977 68.868 0.008 0.000 1.392 302 T HN 0.430 nan 8.240 nan 0.000 0.531 303 E N 0.117 120.320 120.200 0.005 0.000 2.077 303 E HA -0.005 4.344 4.350 -0.000 0.000 0.193 303 E C 2.495 179.098 176.600 0.006 0.000 0.989 303 E CA 2.486 58.889 56.400 0.005 0.000 0.800 303 E CB -1.773 27.929 29.700 0.003 0.000 0.746 303 E HN 0.973 nan 8.360 nan 0.000 0.452 304 K N 1.443 121.847 120.400 0.006 0.000 2.103 304 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 304 K C 1.791 178.394 176.600 0.005 0.000 1.048 304 K CA 2.150 58.441 56.287 0.005 0.000 0.930 304 K CB -0.684 31.820 32.500 0.005 0.000 0.716 304 K HN 0.715 nan 8.250 nan 0.000 0.444 305 N N -1.929 116.775 118.700 0.006 0.000 2.166 305 N HA 0.307 5.047 4.740 -0.000 0.000 0.213 305 N C 1.708 177.222 175.510 0.007 0.000 1.222 305 N CA 0.820 53.873 53.050 0.005 0.000 0.900 305 N CB -0.010 38.480 38.487 0.004 0.000 1.055 305 N HN 0.289 nan 8.380 nan 0.000 0.515 306 A N 1.036 123.862 122.820 0.010 0.000 1.986 306 A HA -0.205 4.114 4.320 -0.000 0.000 0.220 306 A C 1.839 179.432 177.584 0.015 0.000 1.171 306 A CA 1.949 53.995 52.037 0.015 0.000 0.640 306 A CB -0.876 18.134 19.000 0.017 0.000 0.811 306 A HN 0.355 nan 8.150 nan 0.000 0.451 307 D N -0.571 119.836 120.400 0.012 0.000 2.269 307 D HA -0.069 4.571 4.640 -0.000 0.000 0.208 307 D C 1.514 177.819 176.300 0.009 0.000 0.963 307 D CA 1.277 55.285 54.000 0.012 0.000 0.864 307 D CB -0.352 40.454 40.800 0.010 0.000 0.936 307 D HN 0.670 nan 8.370 nan 0.000 0.505 308 N N -0.535 118.169 118.700 0.006 0.000 2.424 308 N HA 0.025 4.765 4.740 -0.000 0.000 0.178 308 N C -0.170 175.341 175.510 0.001 0.000 1.060 308 N CA -0.224 52.827 53.050 0.001 0.000 0.901 308 N CB 0.383 38.868 38.487 -0.003 0.000 0.979 308 N HN 0.116 nan 8.380 nan 0.000 0.451 309 I N 1.770 122.344 120.570 0.006 0.000 2.752 309 I HA -0.088 4.082 4.170 -0.000 0.000 0.289 309 I C 1.066 177.188 176.117 0.009 0.000 1.197 309 I CA 0.882 62.187 61.300 0.008 0.000 1.432 309 I CB 0.506 38.515 38.000 0.015 0.000 1.359 309 I HN 0.130 nan 8.210 nan 0.000 0.571 310 K N 3.992 124.396 120.400 0.006 0.000 2.412 310 K HA 0.288 4.608 4.320 -0.000 0.000 0.202 310 K C 0.614 177.220 176.600 0.011 0.000 1.102 310 K CA -0.106 56.186 56.287 0.008 0.000 1.027 310 K CB 0.655 33.157 32.500 0.004 0.000 0.931 310 K HN 0.714 nan 8.250 nan 0.000 0.557 311 A N 1.701 124.527 122.820 0.010 0.000 2.567 311 A HA -0.058 4.262 4.320 -0.000 0.000 0.240 311 A C 0.892 178.482 177.584 0.011 0.000 1.053 311 A CA 0.370 52.413 52.037 0.009 0.000 0.755 311 A CB 0.305 19.309 19.000 0.007 0.000 0.978 311 A HN 0.102 nan 8.150 nan 0.000 0.507 312 K N 1.064 121.469 120.400 0.008 0.000 2.217 312 K HA 0.144 4.463 4.320 -0.000 0.000 0.202 312 K C -0.065 176.539 176.600 0.006 0.000 1.051 312 K CA 1.175 57.469 56.287 0.010 0.000 0.952 312 K CB -0.085 32.419 32.500 0.007 0.000 0.736 312 K HN 0.737 nan 8.250 nan 0.000 0.453 313 I N 0.351 120.918 120.570 -0.006 0.000 2.534 313 I HA 0.186 4.356 4.170 -0.000 0.000 0.288 313 I C -1.315 174.793 176.117 -0.015 0.000 1.077 313 I CA -1.064 60.225 61.300 -0.018 0.000 1.051 313 I CB 2.525 40.497 38.000 -0.046 0.000 1.234 313 I HN -0.406 nan 8.210 nan 0.000 0.425 314 V N 5.415 125.323 119.914 -0.010 0.000 2.334 314 V HA 0.548 4.668 4.120 -0.000 0.000 0.281 314 V C 0.302 176.386 176.094 -0.016 0.000 1.016 314 V CA -0.527 61.769 62.300 -0.006 0.000 0.832 314 V CB 1.407 33.237 31.823 0.011 0.000 0.999 314 V HN 0.798 nan 8.190 nan 0.000 0.439 315 A N 4.267 127.071 122.820 -0.026 0.000 2.294 315 A HA 0.528 4.848 4.320 -0.000 0.000 0.316 315 A C 0.273 177.842 177.584 -0.026 0.000 1.359 315 A CA -0.497 51.518 52.037 -0.037 0.000 0.956 315 A CB 0.032 18.998 19.000 -0.056 0.000 1.155 315 A HN 0.841 nan 8.150 nan 0.000 0.544 316 E N 2.967 123.153 120.200 -0.023 0.000 1.814 316 E HA 0.157 4.507 4.350 -0.000 0.000 0.264 316 E C 0.473 177.061 176.600 -0.021 0.000 1.179 316 E CA -0.316 56.075 56.400 -0.014 0.000 0.972 316 E CB 0.715 30.412 29.700 -0.005 0.000 1.077 316 E HN 0.498 nan 8.360 nan 0.000 0.417 317 V N 1.918 121.820 119.914 -0.020 0.000 2.407 317 V HA -0.098 4.022 4.120 -0.000 0.000 0.245 317 V C 1.119 177.202 176.094 -0.018 0.000 1.041 317 V CA 1.384 63.670 62.300 -0.023 0.000 1.040 317 V CB -0.097 31.712 31.823 -0.022 0.000 0.671 317 V HN 0.586 nan 8.190 nan 0.000 0.455 318 A N 0.468 123.280 122.820 -0.014 0.000 2.296 318 A HA 0.315 4.635 4.320 -0.000 0.000 0.264 318 A C 0.192 177.761 177.584 -0.025 0.000 1.097 318 A CA -0.357 51.670 52.037 -0.017 0.000 0.811 318 A CB -0.022 18.972 19.000 -0.011 0.000 1.072 318 A HN 0.438 nan 8.150 nan 0.000 0.495 319 N N 0.169 118.845 118.700 -0.040 0.000 2.458 319 N HA 0.394 5.134 4.740 -0.000 0.000 0.270 319 N C 0.762 176.232 175.510 -0.068 0.000 1.102 319 N CA 1.257 54.268 53.050 -0.064 0.000 0.967 319 N CB 1.118 39.544 38.487 -0.102 0.000 1.078 319 N HN 1.262 nan 8.380 nan 0.000 0.471 320 G N 3.310 112.071 108.800 -0.065 0.000 2.295 320 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.287 320 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.287 320 G C -1.237 173.649 174.900 -0.025 0.000 1.055 320 G CA -0.127 44.939 45.100 -0.056 0.000 0.922 320 G HN 0.515 nan 8.290 nan 0.000 0.503 321 P HA 0.064 nan 4.420 nan 0.000 0.220 321 P C 0.703 178.008 177.300 0.007 0.000 1.152 321 P CA 0.807 63.907 63.100 -0.000 0.000 0.812 321 P CB 0.407 32.109 31.700 0.003 0.000 0.792 322 V N 1.903 121.825 119.914 0.014 0.000 2.394 322 V HA 0.231 4.351 4.120 -0.000 0.000 0.282 322 V C 1.007 177.108 176.094 0.011 0.000 1.031 322 V CA -0.542 61.770 62.300 0.019 0.000 0.881 322 V CB 1.016 32.861 31.823 0.038 0.000 0.982 322 V HN 0.155 nan 8.190 nan 0.000 0.451 323 T N 2.879 117.437 114.554 0.005 0.000 2.828 323 T HA 0.286 4.636 4.350 -0.000 0.000 0.290 323 T C -1.855 172.834 174.700 -0.019 0.000 1.019 323 T CA -1.591 60.508 62.100 -0.002 0.000 1.031 323 T CB 1.412 70.280 68.868 0.000 0.000 1.001 323 T HN 0.424 nan 8.240 nan 0.000 0.531 324 P HA 0.041 nan 4.420 nan 0.000 0.221 324 P C 1.167 178.428 177.300 -0.066 0.000 1.150 324 P CA 0.701 63.760 63.100 -0.068 0.000 0.800 324 P CB 0.083 31.752 31.700 -0.052 0.000 0.787 325 E N 0.183 120.363 120.200 -0.034 0.000 2.031 325 E HA -0.163 4.186 4.350 -0.000 0.000 0.193 325 E C 2.189 178.779 176.600 -0.017 0.000 0.994 325 E CA 1.660 58.047 56.400 -0.022 0.000 0.800 325 E CB -1.224 28.470 29.700 -0.009 0.000 0.752 325 E HN 0.096 nan 8.360 nan 0.000 0.447 326 A N 1.449 124.263 122.820 -0.010 0.000 1.917 326 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 326 A C 1.692 179.282 177.584 0.011 0.000 1.182 326 A CA 2.039 54.080 52.037 0.005 0.000 0.633 326 A CB -0.725 18.282 19.000 0.012 0.000 0.819 326 A HN 0.149 nan 8.150 nan 0.000 0.448 327 D N 0.402 120.782 120.400 -0.035 0.000 2.106 327 D HA -0.160 4.479 4.640 -0.000 0.000 0.191 327 D C 1.469 177.749 176.300 -0.035 0.000 0.997 327 D CA 1.638 55.582 54.000 -0.093 0.000 0.834 327 D CB -0.458 40.053 40.800 -0.483 0.000 0.956 327 D HN 0.456 nan 8.370 nan 0.000 0.448 328 D N 0.251 120.613 120.400 -0.064 0.000 2.097 328 D HA -0.088 4.552 4.640 -0.000 0.000 0.195 328 D C 2.428 178.753 176.300 0.042 0.000 0.989 328 D CA 0.432 54.432 54.000 -0.001 0.000 0.827 328 D CB -0.280 40.512 40.800 -0.013 0.000 0.966 328 D HN 0.268 nan 8.370 nan 0.000 0.456 329 I N 0.844 121.431 120.570 0.029 0.000 2.163 329 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 329 I C 2.504 178.653 176.117 0.053 0.000 1.085 329 I CA 0.872 62.193 61.300 0.035 0.000 1.347 329 I CB -0.187 37.828 38.000 0.024 0.000 1.044 329 I HN -0.039 nan 8.210 nan 0.000 0.408 330 L N 0.001 121.266 121.223 0.070 0.000 2.093 330 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 330 L C 2.744 179.670 176.870 0.094 0.000 1.085 330 L CA 1.106 55.992 54.840 0.078 0.000 0.755 330 L CB -0.578 41.535 42.059 0.090 0.000 0.904 330 L HN 0.228 nan 8.230 nan 0.000 0.435 331 R N 0.696 121.279 120.500 0.140 0.000 2.092 331 R HA -0.171 4.169 4.340 -0.000 0.000 0.231 331 R C 2.035 178.393 176.300 0.096 0.000 1.119 331 R CA 1.422 57.608 56.100 0.144 0.000 0.970 331 R CB -0.020 30.438 30.300 0.264 0.000 0.864 331 R HN 0.404 nan 8.270 nan 0.000 0.440 332 E N 0.528 120.775 120.200 0.079 0.000 2.058 332 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 332 E C 1.789 178.417 176.600 0.047 0.000 0.997 332 E CA 1.544 57.977 56.400 0.054 0.000 0.801 332 E CB 0.037 29.762 29.700 0.042 0.000 0.746 332 E HN 0.335 nan 8.360 nan 0.000 0.450 333 K N -0.615 119.814 120.400 0.048 0.000 2.442 333 K HA -0.021 4.299 4.320 -0.000 0.000 0.198 333 K C 1.115 177.741 176.600 0.043 0.000 1.042 333 K CA 0.646 56.958 56.287 0.040 0.000 0.958 333 K CB 0.218 32.740 32.500 0.036 0.000 0.766 333 K HN 0.316 nan 8.250 nan 0.000 0.474 334 G N 1.671 110.503 108.800 0.053 0.000 2.141 334 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.231 334 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.231 334 G C 0.069 175.004 174.900 0.058 0.000 0.984 334 G CA -0.376 44.758 45.100 0.058 0.000 0.660 334 G HN 0.227 nan 8.290 nan 0.000 0.525 335 I N 1.321 121.922 120.570 0.053 0.000 2.322 335 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 335 I C 0.648 176.787 176.117 0.035 0.000 1.060 335 I CA -0.887 60.438 61.300 0.043 0.000 1.309 335 I CB 1.008 39.032 38.000 0.040 0.000 1.415 335 I HN 0.069 nan 8.210 nan 0.000 0.492 336 L N 8.319 129.560 121.223 0.031 0.000 2.433 336 L HA 0.133 4.473 4.340 -0.000 0.000 0.275 336 L C -0.007 176.850 176.870 -0.021 0.000 1.128 336 L CA 0.478 55.323 54.840 0.009 0.000 0.875 336 L CB 0.189 42.277 42.059 0.049 0.000 1.171 336 L HN 0.544 nan 8.230 nan 0.000 0.463 337 Q N 4.800 124.557 119.800 -0.071 0.000 2.235 337 Q HA 0.486 4.826 4.340 -0.000 0.000 0.250 337 Q C -0.766 175.194 176.000 -0.065 0.000 0.909 337 Q CA -0.218 55.554 55.803 -0.052 0.000 0.910 337 Q CB 1.869 30.598 28.738 -0.016 0.000 1.223 337 Q HN 0.594 nan 8.270 nan 0.000 0.432 338 I N 4.737 125.290 120.570 -0.029 0.000 2.347 338 I HA 0.254 4.424 4.170 -0.000 0.000 0.283 338 I C -2.125 173.955 176.117 -0.062 0.000 1.058 338 I CA -2.329 58.960 61.300 -0.019 0.000 1.202 338 I CB 0.749 38.750 38.000 0.002 0.000 1.386 338 I HN 0.297 nan 8.210 nan 0.000 0.475 339 P HA -0.019 nan 4.420 nan 0.000 0.266 339 P C 0.040 177.261 177.300 -0.132 0.000 1.195 339 P CA -0.034 63.008 63.100 -0.096 0.000 0.768 339 P CB 0.668 32.280 31.700 -0.147 0.000 0.838 340 D N 4.085 124.472 120.400 -0.021 0.000 2.177 340 D HA -0.293 4.347 4.640 -0.000 0.000 0.189 340 D C 1.530 177.828 176.300 -0.004 0.000 1.002 340 D CA 1.869 55.868 54.000 -0.002 0.000 0.845 340 D CB -1.726 39.089 40.800 0.025 0.000 0.960 340 D HN 0.516 nan 8.370 nan 0.000 0.447 341 F N -0.198 119.704 119.950 -0.080 0.000 2.546 341 F HA 0.134 4.661 4.527 -0.000 0.000 0.298 341 F C 1.949 177.722 175.800 -0.045 0.000 1.120 341 F CA 0.193 58.149 58.000 -0.074 0.000 1.456 341 F CB -0.455 38.486 39.000 -0.098 0.000 1.088 341 F HN 0.084 nan 8.300 nan 0.000 0.572 342 L N 0.206 121.077 121.223 -0.586 0.000 2.084 342 L HA 0.021 4.361 4.340 -0.000 0.000 0.202 342 L C 2.493 179.280 176.870 -0.139 0.000 1.074 342 L CA 1.508 56.128 54.840 -0.366 0.000 0.757 342 L CB -1.267 40.540 42.059 -0.421 0.000 0.918 342 L HN 0.382 nan 8.230 nan 0.000 0.444 343 C N 1.731 120.961 119.300 -0.117 0.000 2.413 343 C HA -0.123 4.337 4.460 -0.000 0.000 0.276 343 C C 2.146 177.114 174.990 -0.038 0.000 1.236 343 C CA 1.283 60.266 59.018 -0.058 0.000 1.735 343 C CB -1.475 26.232 27.740 -0.056 0.000 2.031 343 C HN 0.880 nan 8.230 nan 0.000 0.474 344 N N 0.603 119.284 118.700 -0.030 0.000 2.320 344 N HA 0.271 5.011 4.740 -0.000 0.000 0.237 344 N C 0.594 176.102 175.510 -0.002 0.000 1.129 344 N CA 0.754 53.793 53.050 -0.018 0.000 0.854 344 N CB -0.398 38.079 38.487 -0.017 0.000 1.083 344 N HN 0.432 nan 8.380 nan 0.000 0.504 345 A N -0.407 122.416 122.820 0.004 0.000 2.235 345 A HA 0.295 4.615 4.320 -0.000 0.000 0.208 345 A C 2.035 179.626 177.584 0.013 0.000 1.172 345 A CA 0.556 52.605 52.037 0.019 0.000 0.786 345 A CB -0.847 18.166 19.000 0.023 0.000 0.804 345 A HN 0.411 nan 8.150 nan 0.000 0.479 346 G N -0.015 108.795 108.800 0.017 0.000 2.448 346 G HA2 0.021 3.981 3.960 -0.000 0.000 0.219 346 G HA3 0.021 3.981 3.960 -0.000 0.000 0.219 346 G C 1.414 176.317 174.900 0.005 0.000 1.127 346 G CA 1.111 46.228 45.100 0.029 0.000 0.766 346 G HN 0.585 nan 8.290 nan 0.000 0.552 347 G N 0.292 109.087 108.800 -0.008 0.000 2.433 347 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 347 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 347 G C 1.770 176.661 174.900 -0.014 0.000 1.186 347 G CA 1.202 46.292 45.100 -0.017 0.000 0.779 347 G HN 0.393 nan 8.290 nan 0.000 0.543 348 V N 0.845 120.755 119.914 -0.008 0.000 2.667 348 V HA -0.093 4.027 4.120 -0.000 0.000 0.252 348 V C 2.948 179.046 176.094 0.006 0.000 1.065 348 V CA 2.744 65.049 62.300 0.007 0.000 1.083 348 V CB -0.639 31.195 31.823 0.018 0.000 0.692 348 V HN 0.414 nan 8.190 nan 0.000 0.468 349 T N -0.189 114.331 114.554 -0.057 0.000 2.746 349 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 349 T C 1.847 176.310 174.700 -0.394 0.000 1.039 349 T CA 1.775 63.753 62.100 -0.204 0.000 1.142 349 T CB -0.203 68.546 68.868 -0.198 0.000 0.866 349 T HN 0.378 nan 8.240 nan 0.000 0.444 350 V N 2.194 122.005 119.914 -0.171 0.000 2.548 350 V HA -0.127 3.993 4.120 -0.000 0.000 0.249 350 V C 2.811 178.917 176.094 0.020 0.000 1.055 350 V CA 1.768 64.049 62.300 -0.032 0.000 1.065 350 V CB -0.722 31.154 31.823 0.088 0.000 0.681 350 V HN 0.663 nan 8.190 nan 0.000 0.462 351 S N -0.165 115.548 115.700 0.022 0.000 2.399 351 S HA -0.272 4.198 4.470 -0.000 0.000 0.231 351 S C 2.013 176.718 174.600 0.176 0.000 1.022 351 S CA 1.645 59.885 58.200 0.065 0.000 0.983 351 S CB -0.696 62.523 63.200 0.032 0.000 0.803 351 S HN 0.668 nan 8.310 nan 0.000 0.480 352 Y N 2.069 122.405 120.300 0.061 0.000 2.133 352 Y HA -0.014 4.536 4.550 -0.000 0.000 0.287 352 Y C 1.775 177.821 175.900 0.243 0.000 1.134 352 Y CA 1.069 59.266 58.100 0.162 0.000 1.133 352 Y CB -0.921 37.498 38.460 -0.067 0.000 0.987 352 Y HN 0.196 nan 8.280 nan 0.000 0.502 353 F N 1.396 121.245 119.950 -0.170 0.000 2.115 353 F HA -0.247 4.280 4.527 -0.000 0.000 0.300 353 F C 2.663 178.127 175.800 -0.561 0.000 1.092 353 F CA 1.719 59.434 58.000 -0.475 0.000 1.245 353 F CB -1.386 37.444 39.000 -0.283 0.000 0.995 353 F HN 0.321 nan 8.300 nan 0.000 0.481 354 E N -0.920 119.233 120.200 -0.078 0.000 2.077 354 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 354 E C 2.292 178.857 176.600 -0.058 0.000 0.989 354 E CA 1.558 57.897 56.400 -0.102 0.000 0.800 354 E CB -0.581 29.119 29.700 -0.000 0.000 0.746 354 E HN 0.475 nan 8.360 nan 0.000 0.452 355 W N 0.626 121.841 121.300 -0.142 0.000 2.381 355 W HA -0.176 4.484 4.660 -0.000 0.000 0.301 355 W C 1.873 178.274 176.519 -0.197 0.000 1.205 355 W CA 1.464 58.742 57.345 -0.112 0.000 1.285 355 W CB -0.343 29.130 29.460 0.021 0.000 1.133 355 W HN -0.082 nan 8.180 nan 0.000 0.521 356 V N 1.230 120.987 119.914 -0.261 0.000 2.392 356 V HA -0.365 3.755 4.120 -0.000 0.000 0.249 356 V C 2.299 178.124 176.094 -0.449 0.000 1.059 356 V CA 2.450 64.476 62.300 -0.457 0.000 1.051 356 V CB -1.103 30.540 31.823 -0.300 0.000 0.658 356 V HN 0.312 nan 8.190 nan 0.000 0.455 357 Q N -0.059 119.400 119.800 -0.568 0.000 2.079 357 Q HA -0.190 4.150 4.340 -0.000 0.000 0.200 357 Q C 2.162 177.751 176.000 -0.686 0.000 0.974 357 Q CA 1.923 57.271 55.803 -0.757 0.000 0.840 357 Q CB -0.290 27.820 28.738 -1.048 0.000 0.898 357 Q HN 0.759 nan 8.270 nan 0.000 0.430 358 N N 0.738 119.202 118.700 -0.393 0.000 2.025 358 N HA -0.177 4.563 4.740 -0.000 0.000 0.194 358 N C 1.977 177.370 175.510 -0.195 0.000 1.044 358 N CA 1.530 54.517 53.050 -0.105 0.000 0.851 358 N CB -0.337 38.164 38.487 0.022 0.000 1.036 358 N HN 0.319 nan 8.380 nan 0.000 0.422 359 I N -1.899 118.421 120.570 -0.416 0.000 2.830 359 I HA 0.020 4.190 4.170 -0.000 0.000 0.263 359 I C 0.829 176.830 176.117 -0.193 0.000 1.230 359 I CA 1.255 62.338 61.300 -0.361 0.000 1.480 359 I CB -0.064 37.516 38.000 -0.701 0.000 1.095 359 I HN 0.016 nan 8.210 nan 0.000 0.455 360 N N 1.518 120.095 118.700 -0.205 0.000 2.230 360 N HA 0.142 4.882 4.740 -0.000 0.000 0.202 360 N C 1.349 176.847 175.510 -0.020 0.000 1.119 360 N CA 0.834 53.834 53.050 -0.083 0.000 0.851 360 N CB 0.739 39.197 38.487 -0.049 0.000 0.990 360 N HN 0.570 nan 8.380 nan 0.000 0.497 361 G N 1.108 109.874 108.800 -0.056 0.000 2.321 361 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.287 361 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.287 361 G C -0.466 174.517 174.900 0.139 0.000 1.018 361 G CA 0.685 45.817 45.100 0.054 0.000 0.855 361 G HN 0.502 nan 8.290 nan 0.000 0.507 362 Y N -0.732 119.421 120.300 -0.245 0.000 2.362 362 Y HA 0.571 5.121 4.550 -0.000 0.000 0.326 362 Y C -0.753 174.947 175.900 -0.334 0.000 1.083 362 Y CA -1.626 56.412 58.100 -0.103 0.000 1.073 362 Y CB 1.091 39.553 38.460 0.003 0.000 1.211 362 Y HN 0.144 nan 8.280 nan 0.000 0.433 363 Y N 3.901 123.978 120.300 -0.371 0.000 2.387 363 Y HA 0.437 4.987 4.550 -0.000 0.000 0.336 363 Y C -0.669 175.204 175.900 -0.045 0.000 1.067 363 Y CA -0.795 57.170 58.100 -0.225 0.000 1.114 363 Y CB 0.962 39.309 38.460 -0.189 0.000 1.208 363 Y HN 0.485 nan 8.280 nan 0.000 0.458 364 W N 1.026 122.298 121.300 -0.047 0.000 2.436 364 W HA 0.442 5.102 4.660 -0.000 0.000 0.347 364 W C 0.177 176.684 176.519 -0.020 0.000 1.136 364 W CA -1.721 55.595 57.345 -0.047 0.000 1.286 364 W CB 0.553 29.965 29.460 -0.080 0.000 1.253 364 W HN 0.472 nan 8.180 nan 0.000 0.617 365 T N -1.299 113.395 114.554 0.234 0.000 2.899 365 T HA 0.065 4.415 4.350 -0.000 0.000 0.295 365 T C 1.126 175.907 174.700 0.135 0.000 1.033 365 T CA -0.358 61.821 62.100 0.132 0.000 1.084 365 T CB 1.449 70.366 68.868 0.081 0.000 0.979 365 T HN 0.404 nan 8.240 nan 0.000 0.532 366 E N 1.101 121.357 120.200 0.093 0.000 2.149 366 E HA -0.255 4.095 4.350 -0.000 0.000 0.215 366 E C 1.827 178.482 176.600 0.092 0.000 1.055 366 E CA 2.081 58.531 56.400 0.084 0.000 0.870 366 E CB -0.238 29.496 29.700 0.056 0.000 0.764 366 E HN 0.827 nan 8.360 nan 0.000 0.463 367 E N 0.257 120.499 120.200 0.070 0.000 2.208 367 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 367 E C 1.907 178.533 176.600 0.043 0.000 0.988 367 E CA 0.715 57.150 56.400 0.058 0.000 0.828 367 E CB 0.014 29.736 29.700 0.036 0.000 0.763 367 E HN 0.323 nan 8.360 nan 0.000 0.478 368 E N -0.644 119.582 120.200 0.043 0.000 2.046 368 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 368 E C 2.001 178.619 176.600 0.029 0.000 0.982 368 E CA 1.151 57.535 56.400 -0.026 0.000 0.800 368 E CB 0.050 29.714 29.700 -0.059 0.000 0.756 368 E HN 0.058 nan 8.360 nan 0.000 0.449 369 V N 1.415 121.455 119.914 0.210 0.000 2.453 369 V HA -0.276 3.844 4.120 -0.000 0.000 0.252 369 V C 2.357 178.592 176.094 0.236 0.000 1.068 369 V CA 1.633 64.091 62.300 0.263 0.000 1.070 369 V CB -0.501 31.480 31.823 0.263 0.000 0.664 369 V HN 0.220 nan 8.190 nan 0.000 0.461 370 R N -0.460 120.151 120.500 0.184 0.000 2.057 370 R HA -0.112 4.228 4.340 -0.000 0.000 0.229 370 R C 2.453 178.847 176.300 0.156 0.000 1.136 370 R CA 1.187 57.423 56.100 0.227 0.000 0.952 370 R CB -0.317 30.102 30.300 0.198 0.000 0.848 370 R HN 0.410 nan 8.270 nan 0.000 0.430 371 E N 0.986 121.216 120.200 0.049 0.000 2.097 371 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 371 E C 1.841 178.411 176.600 -0.050 0.000 1.000 371 E CA 1.531 57.907 56.400 -0.039 0.000 0.804 371 E CB 0.074 29.735 29.700 -0.065 0.000 0.740 371 E HN 0.065 nan 8.360 nan 0.000 0.454 372 K N 0.112 120.499 120.400 -0.023 0.000 2.031 372 K HA -0.089 4.230 4.320 -0.000 0.000 0.205 372 K C 2.117 178.927 176.600 0.349 0.000 1.049 372 K CA 0.526 56.834 56.287 0.036 0.000 0.939 372 K CB -0.512 31.786 32.500 -0.337 0.000 0.717 372 K HN 0.018 nan 8.250 nan 0.000 0.438 373 L N 1.691 123.227 121.223 0.521 0.000 2.013 373 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 373 L C 1.894 178.831 176.870 0.113 0.000 1.073 373 L CA 2.051 57.177 54.840 0.477 0.000 0.753 373 L CB -0.754 41.627 42.059 0.536 0.000 0.890 373 L HN 0.350 nan 8.230 nan 0.000 0.432 374 D N -0.548 119.697 120.400 -0.258 0.000 2.133 374 D HA -0.245 4.395 4.640 -0.000 0.000 0.195 374 D C 2.020 178.058 176.300 -0.438 0.000 0.997 374 D CA 1.574 54.949 54.000 -1.042 0.000 0.840 374 D CB 0.124 40.420 40.800 -0.840 0.000 0.947 374 D HN 0.455 nan 8.370 nan 0.000 0.452 375 K N 0.012 120.324 120.400 -0.146 0.000 2.137 375 K HA -0.018 4.302 4.320 -0.000 0.000 0.202 375 K C 2.335 178.971 176.600 0.059 0.000 1.052 375 K CA 0.266 56.538 56.287 -0.025 0.000 0.961 375 K CB 0.201 32.708 32.500 0.012 0.000 0.741 375 K HN 0.030 nan 8.250 nan 0.000 0.452 376 K N 0.501 120.975 120.400 0.123 0.000 2.009 376 K HA -0.086 4.234 4.320 -0.000 0.000 0.210 376 K C 2.126 178.784 176.600 0.098 0.000 1.049 376 K CA 1.244 57.610 56.287 0.132 0.000 0.929 376 K CB -0.071 32.527 32.500 0.163 0.000 0.714 376 K HN 0.078 nan 8.250 nan 0.000 0.440 377 M N 0.440 120.098 119.600 0.098 0.000 2.086 377 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 377 M C 2.268 178.633 176.300 0.109 0.000 1.067 377 M CA 1.721 57.091 55.300 0.116 0.000 1.116 377 M CB -1.566 31.161 32.600 0.212 0.000 1.348 377 M HN 0.091 nan 8.290 nan 0.000 0.407 378 T N 0.315 114.914 114.554 0.075 0.000 2.708 378 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 378 T C 1.869 176.721 174.700 0.253 0.000 1.037 378 T CA 1.881 64.061 62.100 0.133 0.000 1.146 378 T CB -0.156 68.787 68.868 0.124 0.000 0.865 378 T HN 0.231 nan 8.240 nan 0.000 0.435 379 K N 1.869 122.393 120.400 0.206 0.000 2.057 379 K HA 0.118 4.438 4.320 -0.000 0.000 0.206 379 K C 2.265 178.968 176.600 0.171 0.000 1.050 379 K CA 1.482 57.900 56.287 0.217 0.000 0.935 379 K CB -0.749 31.835 32.500 0.140 0.000 0.715 379 K HN 0.216 nan 8.250 nan 0.000 0.439 380 A N -0.119 122.769 122.820 0.114 0.000 1.978 380 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 380 A C 2.147 179.734 177.584 0.005 0.000 1.170 380 A CA 1.496 53.568 52.037 0.057 0.000 0.636 380 A CB -0.839 18.185 19.000 0.040 0.000 0.810 380 A HN 0.512 nan 8.150 nan 0.000 0.448 381 F N -1.178 118.718 119.950 -0.089 0.000 2.098 381 F HA -0.065 4.462 4.527 -0.000 0.000 0.294 381 F C 1.935 177.618 175.800 -0.195 0.000 1.107 381 F CA 1.427 59.288 58.000 -0.232 0.000 1.234 381 F CB -0.476 38.267 39.000 -0.430 0.000 1.002 381 F HN 0.360 nan 8.300 nan 0.000 0.472 382 W N 0.984 122.301 121.300 0.029 0.000 2.425 382 W HA -0.075 4.585 4.660 -0.000 0.000 0.277 382 W C 2.438 178.948 176.519 -0.016 0.000 1.231 382 W CA 1.091 58.453 57.345 0.029 0.000 1.248 382 W CB -0.414 29.116 29.460 0.115 0.000 1.117 382 W HN 0.093 nan 8.180 nan 0.000 0.568 383 E N 0.131 120.423 120.200 0.152 0.000 2.017 383 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 383 E C 2.074 178.670 176.600 -0.006 0.000 0.997 383 E CA 1.866 58.313 56.400 0.079 0.000 0.804 383 E CB -0.340 29.394 29.700 0.057 0.000 0.757 383 E HN 0.011 nan 8.360 nan 0.000 0.448 384 V N 0.358 120.196 119.914 -0.127 0.000 2.427 384 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 384 V C 1.983 177.933 176.094 -0.240 0.000 1.051 384 V CA 1.814 63.997 62.300 -0.195 0.000 1.048 384 V CB -0.513 31.132 31.823 -0.297 0.000 0.666 384 V HN 0.374 nan 8.190 nan 0.000 0.456 385 Y N 1.553 121.555 120.300 -0.497 0.000 2.163 385 Y HA -0.191 4.359 4.550 -0.000 0.000 0.288 385 Y C 2.296 178.221 175.900 0.041 0.000 1.136 385 Y CA 2.181 60.038 58.100 -0.404 0.000 1.147 385 Y CB -0.417 37.633 38.460 -0.682 0.000 0.987 385 Y HN 0.330 nan 8.280 nan 0.000 0.509 386 N N -1.178 117.604 118.700 0.138 0.000 2.309 386 N HA -0.145 4.595 4.740 -0.000 0.000 0.182 386 N C 1.521 177.038 175.510 0.011 0.000 1.018 386 N CA 1.405 54.522 53.050 0.111 0.000 0.876 386 N CB -0.073 38.537 38.487 0.205 0.000 0.972 386 N HN 0.304 nan 8.380 nan 0.000 0.434 387 T N -0.267 114.289 114.554 0.003 0.000 2.701 387 T HA -0.192 4.157 4.350 -0.000 0.000 0.263 387 T C 1.693 176.383 174.700 -0.016 0.000 1.040 387 T CA 1.503 63.602 62.100 -0.001 0.000 1.147 387 T CB -0.491 68.382 68.868 0.008 0.000 0.865 387 T HN 0.549 nan 8.240 nan 0.000 0.426 388 H N 0.823 119.777 119.070 -0.194 0.000 2.422 388 H HA 0.009 4.565 4.556 -0.000 0.000 0.298 388 H C 2.265 177.452 175.328 -0.234 0.000 1.098 388 H CA 1.641 57.556 56.048 -0.222 0.000 1.315 388 H CB -0.005 29.579 29.762 -0.296 0.000 1.382 388 H HN 0.121 nan 8.280 nan 0.000 0.523 389 K N 0.607 120.754 120.400 -0.421 0.000 2.007 389 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 389 K C 2.497 178.957 176.600 -0.232 0.000 1.047 389 K CA 1.880 57.886 56.287 -0.469 0.000 0.937 389 K CB -0.761 31.550 32.500 -0.314 0.000 0.718 389 K HN 0.624 nan 8.250 nan 0.000 0.438 390 D N 0.405 120.731 120.400 -0.123 0.000 2.075 390 D HA -0.114 4.526 4.640 -0.000 0.000 0.196 390 D C 1.612 177.880 176.300 -0.052 0.000 0.985 390 D CA 1.548 55.512 54.000 -0.061 0.000 0.834 390 D CB -0.410 40.377 40.800 -0.021 0.000 0.987 390 D HN 0.228 nan 8.370 nan 0.000 0.452 391 K N 0.089 120.467 120.400 -0.036 0.000 2.574 391 K HA -0.060 4.259 4.320 -0.000 0.000 0.193 391 K C 0.458 177.044 176.600 -0.024 0.000 1.035 391 K CA 0.348 56.632 56.287 -0.006 0.000 0.982 391 K CB -0.195 32.325 32.500 0.033 0.000 0.795 391 K HN 0.343 nan 8.250 nan 0.000 0.491 392 N N 1.432 120.072 118.700 -0.099 0.000 2.688 392 N HA -0.187 4.553 4.740 -0.000 0.000 0.258 392 N C -0.735 174.730 175.510 -0.076 0.000 1.016 392 N CA 0.873 53.842 53.050 -0.136 0.000 0.747 392 N CB -1.064 37.374 38.487 -0.082 0.000 0.895 392 N HN 0.361 nan 8.380 nan 0.000 0.543 393 I N -3.188 117.334 120.570 -0.079 0.000 3.322 393 I HA 0.431 4.601 4.170 -0.000 0.000 0.313 393 I C 0.615 176.778 176.117 0.077 0.000 1.129 393 I CA -1.097 60.205 61.300 0.002 0.000 0.963 393 I CB 1.575 39.557 38.000 -0.029 0.000 1.273 393 I HN -0.031 nan 8.210 nan 0.000 0.473 394 H N 2.350 121.405 119.070 -0.025 0.000 2.815 394 H HA 0.130 4.686 4.556 -0.000 0.000 0.350 394 H C 0.743 176.070 175.328 -0.002 0.000 1.080 394 H CA 0.064 56.126 56.048 0.023 0.000 1.433 394 H CB 1.314 31.049 29.762 -0.044 0.000 1.432 394 H HN 0.636 nan 8.280 nan 0.000 0.592 395 M N 3.953 123.300 119.600 -0.423 0.000 2.108 395 M HA -0.257 4.223 4.480 -0.000 0.000 0.257 395 M C 2.281 178.514 176.300 -0.112 0.000 1.071 395 M CA 1.589 56.659 55.300 -0.383 0.000 1.093 395 M CB -0.904 31.383 32.600 -0.522 0.000 1.345 395 M HN 0.678 nan 8.290 nan 0.000 0.403 396 R N 0.209 120.809 120.500 0.166 0.000 2.096 396 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 396 R C 1.565 178.028 176.300 0.272 0.000 1.127 396 R CA 1.633 57.904 56.100 0.284 0.000 0.968 396 R CB -0.018 30.523 30.300 0.400 0.000 0.861 396 R HN 0.362 nan 8.270 nan 0.000 0.440 397 D N -0.064 120.394 120.400 0.098 0.000 2.162 397 D HA -0.057 4.583 4.640 -0.000 0.000 0.203 397 D C 1.702 177.982 176.300 -0.033 0.000 0.967 397 D CA 1.222 55.145 54.000 -0.129 0.000 0.840 397 D CB -0.118 40.272 40.800 -0.683 0.000 0.972 397 D HN 0.341 nan 8.370 nan 0.000 0.482 398 A N 1.320 124.126 122.820 -0.023 0.000 1.978 398 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 398 A C 2.306 179.904 177.584 0.024 0.000 1.170 398 A CA 2.043 54.079 52.037 -0.001 0.000 0.636 398 A CB -0.522 18.464 19.000 -0.023 0.000 0.810 398 A HN 0.234 nan 8.150 nan 0.000 0.448 399 A N -1.263 121.572 122.820 0.024 0.000 1.858 399 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 399 A C 2.088 179.810 177.584 0.230 0.000 1.190 399 A CA 1.532 53.571 52.037 0.003 0.000 0.617 399 A CB -0.905 17.927 19.000 -0.280 0.000 0.827 399 A HN 0.561 nan 8.150 nan 0.000 0.443 400 Y N -0.111 120.360 120.300 0.285 0.000 2.165 400 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 400 Y C 2.666 178.573 175.900 0.012 0.000 1.155 400 Y CA 1.661 59.829 58.100 0.113 0.000 1.164 400 Y CB -0.500 37.940 38.460 -0.033 0.000 0.978 400 Y HN 0.102 nan 8.280 nan 0.000 0.513 401 V N -0.920 119.108 119.914 0.190 0.000 2.231 401 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 401 V C 2.247 178.411 176.094 0.118 0.000 1.054 401 V CA 1.903 64.278 62.300 0.126 0.000 1.015 401 V CB -0.990 30.899 31.823 0.111 0.000 0.638 401 V HN 0.250 nan 8.190 nan 0.000 0.444 402 V N 0.006 119.986 119.914 0.111 0.000 2.324 402 V HA -0.324 3.796 4.120 -0.000 0.000 0.250 402 V C 2.603 178.783 176.094 0.143 0.000 1.060 402 V CA 2.315 64.677 62.300 0.104 0.000 1.042 402 V CB -1.129 30.735 31.823 0.069 0.000 0.650 402 V HN 0.596 nan 8.190 nan 0.000 0.450 403 A N -0.424 122.508 122.820 0.186 0.000 1.840 403 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 403 A C 2.334 180.095 177.584 0.296 0.000 1.198 403 A CA 1.876 54.074 52.037 0.268 0.000 0.608 403 A CB -0.777 18.438 19.000 0.359 0.000 0.839 403 A HN 0.309 nan 8.150 nan 0.000 0.443 404 V N 0.348 120.371 119.914 0.182 0.000 2.469 404 V HA -0.222 3.898 4.120 -0.000 0.000 0.251 404 V C 2.750 178.974 176.094 0.216 0.000 1.064 404 V CA 2.225 64.603 62.300 0.130 0.000 1.066 404 V CB -0.839 30.880 31.823 -0.174 0.000 0.667 404 V HN 0.544 nan 8.190 nan 0.000 0.461 405 S N -0.456 115.357 115.700 0.188 0.000 2.356 405 S HA -0.193 4.277 4.470 -0.000 0.000 0.223 405 S C 2.119 176.835 174.600 0.192 0.000 1.032 405 S CA 1.517 59.845 58.200 0.215 0.000 1.005 405 S CB -0.287 63.003 63.200 0.151 0.000 0.867 405 S HN 0.545 nan 8.310 nan 0.000 0.449 406 R N 0.496 121.093 120.500 0.162 0.000 2.080 406 R HA -0.084 4.255 4.340 -0.000 0.000 0.236 406 R C 2.247 178.622 176.300 0.125 0.000 1.137 406 R CA 1.590 57.762 56.100 0.120 0.000 0.943 406 R CB -0.798 29.573 30.300 0.117 0.000 0.846 406 R HN 0.263 nan 8.270 nan 0.000 0.431 407 V N 0.154 120.195 119.914 0.212 0.000 2.490 407 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 407 V C 1.942 178.142 176.094 0.177 0.000 1.061 407 V CA 1.669 64.093 62.300 0.206 0.000 1.064 407 V CB -0.632 31.407 31.823 0.360 0.000 0.670 407 V HN 0.351 nan 8.190 nan 0.000 0.461 408 Y N 1.099 121.439 120.300 0.067 0.000 2.314 408 Y HA -0.082 4.468 4.550 -0.000 0.000 0.294 408 Y C 2.503 178.377 175.900 -0.044 0.000 1.119 408 Y CA 1.696 59.804 58.100 0.013 0.000 1.179 408 Y CB -0.348 38.139 38.460 0.046 0.000 1.025 408 Y HN 0.247 nan 8.280 nan 0.000 0.541 409 Q N 0.896 120.621 119.800 -0.124 0.000 2.124 409 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 409 Q C 2.320 178.191 176.000 -0.216 0.000 0.977 409 Q CA 2.102 57.762 55.803 -0.239 0.000 0.850 409 Q CB -0.675 27.990 28.738 -0.121 0.000 0.901 409 Q HN 0.537 nan 8.270 nan 0.000 0.429 410 A N -0.348 122.372 122.820 -0.167 0.000 1.930 410 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 410 A C 2.067 179.411 177.584 -0.400 0.000 1.175 410 A CA 1.563 53.460 52.037 -0.234 0.000 0.627 410 A CB -0.473 18.415 19.000 -0.187 0.000 0.815 410 A HN 0.486 nan 8.150 nan 0.000 0.443 411 M N -0.760 118.610 119.600 -0.383 0.000 2.132 411 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 411 M C 2.102 178.180 176.300 -0.369 0.000 1.065 411 M CA 1.576 56.581 55.300 -0.492 0.000 1.122 411 M CB -0.240 32.183 32.600 -0.296 0.000 1.365 411 M HN 0.294 nan 8.290 nan 0.000 0.411 412 K N 0.039 120.258 120.400 -0.301 0.000 2.057 412 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 412 K C 1.451 177.925 176.600 -0.209 0.000 1.050 412 K CA 1.096 57.237 56.287 -0.244 0.000 0.935 412 K CB -0.158 32.151 32.500 -0.318 0.000 0.715 412 K HN 0.257 nan 8.250 nan 0.000 0.439 413 D N 0.486 120.746 120.400 -0.233 0.000 2.264 413 D HA -0.088 4.552 4.640 -0.000 0.000 0.208 413 D C 1.639 177.826 176.300 -0.188 0.000 0.966 413 D CA 0.924 54.815 54.000 -0.182 0.000 0.864 413 D CB 0.107 40.807 40.800 -0.166 0.000 0.933 413 D HN 0.158 nan 8.370 nan 0.000 0.499 414 R N -0.477 119.845 120.500 -0.296 0.000 2.275 414 R HA 0.138 4.477 4.340 -0.000 0.000 0.199 414 R C 1.322 177.554 176.300 -0.114 0.000 0.989 414 R CA 0.601 56.526 56.100 -0.292 0.000 1.016 414 R CB 0.325 30.205 30.300 -0.700 0.000 0.918 414 R HN 0.081 nan 8.270 nan 0.000 0.473 415 G N 0.128 108.873 108.800 -0.091 0.000 2.147 415 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 415 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 415 G C 0.263 175.253 174.900 0.150 0.000 1.005 415 G CA 0.134 45.248 45.100 0.025 0.000 0.713 415 G HN 0.301 nan 8.290 nan 0.000 0.515 416 W N -0.298 120.886 121.300 -0.194 0.000 2.379 416 W HA 0.300 4.960 4.660 -0.000 0.000 0.307 416 W C 1.665 178.001 176.519 -0.304 0.000 1.200 416 W CA 1.416 58.549 57.345 -0.353 0.000 1.297 416 W CB -0.685 28.282 29.460 -0.823 0.000 1.140 416 W HN 0.758 nan 8.180 nan 0.000 0.507 417 V N -1.583 118.316 119.914 -0.026 0.000 2.769 417 V HA 0.481 4.601 4.120 -0.000 0.000 0.312 417 V C 0.590 176.709 176.094 0.042 0.000 1.061 417 V CA -1.278 61.052 62.300 0.050 0.000 0.931 417 V CB 2.150 34.018 31.823 0.075 0.000 1.010 417 V HN -0.190 nan 8.190 nan 0.000 0.433 418 K N 1.769 122.210 120.400 0.070 0.000 2.426 418 K HA 0.223 4.543 4.320 -0.000 0.000 0.193 418 K C 0.138 176.757 176.600 0.033 0.000 1.028 418 K CA 0.543 56.856 56.287 0.044 0.000 1.047 418 K CB -0.146 32.388 32.500 0.055 0.000 0.821 418 K HN 0.972 nan 8.250 nan 0.000 0.513 419 K N 0.000 120.438 120.400 0.063 0.000 2.780 419 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 419 K CA 0.000 56.333 56.287 0.077 0.000 0.838 419 K CB 0.000 32.544 32.500 0.073 0.000 1.064 419 K HN 0.000 nan 8.250 nan 0.000 0.543