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 1brm_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKNVGFIGWR GMVGSVLMQR MVEERDFDAI RPVFFSTSQL GQAAPSFGGT DATA SEQUENCE TGTLQDAFDL EALKALDIIV TCQGGDYTNE IYPKLRESGW QGYWIDAASS DATA SEQUENCE LRMKDDAIII LDPVNQDVIT DGLNNGIRTF VGGNCTVSLM LMSLGGLFAN DATA SEQUENCE DLVDWVSVAT YQAASGGGAR HMRELLTQMG HLYGHVADEL ATPSSAILDI DATA SEQUENCE ERKVTTLTRS GELPVDNFGV PLAGSLIPWI DKXXXXXXXX EEWKGQAETN DATA SEQUENCE KILNTSSVIP VDGLCVRVGA LRCHSQAFTI KLKKDVSIPT VEELLAAHNP DATA SEQUENCE WAKVVPNDRE ITMRELTPAA VTGTLTTPVG RLRKLNMGPE FLSAFTVGDQ DATA SEQUENCE LLWGAAEPLR RMLRQLA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.318 176.300 0.030 0.000 1.140 1 M CA 0.000 55.317 55.300 0.029 0.000 0.988 1 M CB 0.000 32.619 32.600 0.032 0.000 1.302 2 K N 1.737 122.157 120.400 0.033 0.000 2.126 2 K HA 0.391 4.711 4.320 -0.000 0.000 0.257 2 K C -0.195 176.421 176.600 0.028 0.000 1.007 2 K CA -0.710 55.599 56.287 0.037 0.000 0.928 2 K CB 0.762 33.291 32.500 0.050 0.000 1.013 2 K HN 0.508 nan 8.250 nan 0.000 0.473 3 N N 1.777 120.496 118.700 0.032 0.000 2.415 3 N HA 0.103 4.843 4.740 -0.000 0.000 0.246 3 N C -0.979 174.520 175.510 -0.019 0.000 1.078 3 N CA -0.066 52.992 53.050 0.013 0.000 0.942 3 N CB 1.031 39.542 38.487 0.040 0.000 1.140 3 N HN 0.177 nan 8.380 nan 0.000 0.501 4 V N 1.089 120.934 119.914 -0.115 0.000 2.394 4 V HA 0.542 4.662 4.120 -0.000 0.000 0.282 4 V C 0.873 176.651 176.094 -0.526 0.000 1.031 4 V CA -0.889 61.229 62.300 -0.303 0.000 0.881 4 V CB 1.595 33.183 31.823 -0.391 0.000 0.982 4 V HN 0.590 nan 8.190 nan 0.000 0.451 5 G N 3.384 111.896 108.800 -0.480 0.000 2.379 5 G HA2 0.681 4.641 3.960 -0.000 0.000 0.327 5 G HA3 0.681 4.641 3.960 -0.000 0.000 0.327 5 G C -1.304 173.241 174.900 -0.592 0.000 1.145 5 G CA -0.286 44.598 45.100 -0.360 0.000 0.905 5 G HN 0.379 nan 8.290 nan 0.000 0.466 6 F N 1.322 121.303 119.950 0.052 0.000 2.467 6 F HA 0.561 5.087 4.527 -0.000 0.000 0.336 6 F C 0.313 176.294 175.800 0.301 0.000 1.123 6 F CA -0.950 57.136 58.000 0.143 0.000 0.964 6 F CB 2.010 41.161 39.000 0.252 0.000 1.136 6 F HN 0.168 nan 8.300 nan 0.000 0.447 7 I N 1.737 122.453 120.570 0.244 0.000 2.509 7 I HA 0.550 4.720 4.170 -0.000 0.000 0.293 7 I C 0.724 176.840 176.117 -0.000 0.000 1.020 7 I CA -0.880 60.433 61.300 0.020 0.000 1.088 7 I CB 1.847 39.566 38.000 -0.469 0.000 1.267 7 I HN 0.787 nan 8.210 nan 0.000 0.430 8 G N 4.760 113.501 108.800 -0.098 0.000 2.153 8 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.252 8 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.252 8 G C 0.546 175.373 174.900 -0.122 0.000 0.994 8 G CA 0.452 45.443 45.100 -0.182 0.000 0.698 8 G HN 0.938 nan 8.290 nan 0.000 0.521 9 W N -0.057 121.303 121.300 0.099 0.000 2.747 9 W HA 0.119 4.779 4.660 -0.000 0.000 0.244 9 W C 1.170 177.726 176.519 0.062 0.000 1.270 9 W CA 0.560 57.970 57.345 0.107 0.000 1.333 9 W CB -0.646 28.983 29.460 0.281 0.000 1.139 9 W HN 0.443 nan 8.180 nan 0.000 0.662 10 R N 0.386 120.582 120.500 -0.507 0.000 2.279 10 R HA 0.201 4.540 4.340 -0.000 0.000 0.195 10 R C 1.759 177.929 176.300 -0.216 0.000 0.905 10 R CA 0.441 56.268 56.100 -0.456 0.000 1.044 10 R CB -0.452 29.395 30.300 -0.755 0.000 1.056 10 R HN 0.024 nan 8.270 nan 0.000 0.535 11 G N 0.813 109.503 108.800 -0.182 0.000 2.744 11 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.257 11 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.257 11 G C 0.672 175.528 174.900 -0.073 0.000 1.244 11 G CA -0.377 44.657 45.100 -0.110 0.000 0.916 11 G HN 0.054 nan 8.290 nan 0.000 0.564 12 M N -0.577 118.990 119.600 -0.055 0.000 2.067 12 M HA -0.132 4.348 4.480 -0.000 0.000 0.260 12 M C 2.634 178.904 176.300 -0.051 0.000 1.069 12 M CA 1.538 56.811 55.300 -0.045 0.000 1.117 12 M CB -0.310 32.269 32.600 -0.035 0.000 1.334 12 M HN 0.289 nan 8.290 nan 0.000 0.407 13 V N 0.189 120.073 119.914 -0.051 0.000 2.287 13 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 13 V C 2.542 178.602 176.094 -0.056 0.000 1.053 13 V CA 2.157 64.423 62.300 -0.056 0.000 1.027 13 V CB -1.880 29.915 31.823 -0.048 0.000 0.646 13 V HN 0.738 nan 8.190 nan 0.000 0.447 14 G N -0.087 108.689 108.800 -0.039 0.000 2.476 14 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 14 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 14 G C 1.800 176.690 174.900 -0.017 0.000 1.164 14 G CA 1.385 46.482 45.100 -0.004 0.000 0.768 14 G HN 0.551 nan 8.290 nan 0.000 0.560 15 S N 0.129 115.810 115.700 -0.032 0.000 2.382 15 S HA -0.114 4.356 4.470 -0.000 0.000 0.228 15 S C 2.433 176.968 174.600 -0.107 0.000 1.027 15 S CA 1.215 59.383 58.200 -0.053 0.000 0.991 15 S CB -0.262 62.920 63.200 -0.030 0.000 0.823 15 S HN 0.205 nan 8.310 nan 0.000 0.469 16 V N 1.717 121.573 119.914 -0.097 0.000 2.427 16 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 16 V C 2.228 178.231 176.094 -0.153 0.000 1.051 16 V CA 1.286 63.516 62.300 -0.117 0.000 1.048 16 V CB -0.693 31.065 31.823 -0.108 0.000 0.666 16 V HN 0.345 nan 8.190 nan 0.000 0.456 17 L N -0.520 120.613 121.223 -0.150 0.000 2.017 17 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 17 L C 2.347 179.077 176.870 -0.233 0.000 1.073 17 L CA 2.059 56.790 54.840 -0.182 0.000 0.745 17 L CB -0.595 41.379 42.059 -0.142 0.000 0.894 17 L HN 0.156 nan 8.230 nan 0.000 0.432 18 M N -0.951 118.498 119.600 -0.252 0.000 2.059 18 M HA -0.235 4.245 4.480 -0.000 0.000 0.259 18 M C 2.277 178.382 176.300 -0.325 0.000 1.072 18 M CA 1.753 56.825 55.300 -0.381 0.000 1.117 18 M CB -1.413 30.698 32.600 -0.817 0.000 1.320 18 M HN 0.378 nan 8.290 nan 0.000 0.408 19 Q N -0.446 119.179 119.800 -0.291 0.000 2.077 19 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 19 Q C 2.274 178.192 176.000 -0.136 0.000 0.989 19 Q CA 1.339 57.034 55.803 -0.180 0.000 0.853 19 Q CB -0.265 28.394 28.738 -0.132 0.000 0.907 19 Q HN 0.381 nan 8.270 nan 0.000 0.418 20 R N 0.241 120.644 120.500 -0.162 0.000 2.083 20 R HA -0.081 4.259 4.340 -0.000 0.000 0.237 20 R C 2.181 178.380 176.300 -0.167 0.000 1.137 20 R CA 1.389 57.391 56.100 -0.163 0.000 0.951 20 R CB -0.525 29.652 30.300 -0.205 0.000 0.851 20 R HN 0.414 nan 8.270 nan 0.000 0.434 21 M N -0.078 119.389 119.600 -0.221 0.000 2.086 21 M HA -0.162 4.318 4.480 -0.000 0.000 0.261 21 M C 2.415 178.636 176.300 -0.131 0.000 1.067 21 M CA 1.441 56.559 55.300 -0.303 0.000 1.116 21 M CB -0.437 31.776 32.600 -0.644 0.000 1.348 21 M HN -0.099 nan 8.290 nan 0.000 0.407 22 V N 0.551 120.480 119.914 0.024 0.000 2.324 22 V HA -0.306 3.814 4.120 -0.000 0.000 0.250 22 V C 2.080 178.200 176.094 0.043 0.000 1.060 22 V CA 2.089 64.466 62.300 0.129 0.000 1.042 22 V CB -0.629 31.249 31.823 0.090 0.000 0.650 22 V HN 0.483 nan 8.190 nan 0.000 0.450 23 E N -0.431 119.761 120.200 -0.013 0.000 2.058 23 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 23 E C 1.896 178.485 176.600 -0.018 0.000 0.997 23 E CA 1.316 57.705 56.400 -0.019 0.000 0.801 23 E CB -0.022 29.653 29.700 -0.042 0.000 0.746 23 E HN 0.567 nan 8.360 nan 0.000 0.450 24 E N 0.063 120.236 120.200 -0.045 0.000 2.444 24 E HA 0.072 4.422 4.350 -0.000 0.000 0.191 24 E C -0.234 176.346 176.600 -0.033 0.000 1.041 24 E CA -0.079 56.296 56.400 -0.042 0.000 0.883 24 E CB 0.354 30.012 29.700 -0.070 0.000 1.024 24 E HN 0.168 nan 8.360 nan 0.000 0.470 25 R N 0.990 121.486 120.500 -0.007 0.000 3.416 25 R HA -0.165 4.175 4.340 -0.000 0.000 0.263 25 R C -0.163 176.131 176.300 -0.010 0.000 1.053 25 R CA 0.477 56.597 56.100 0.033 0.000 0.705 25 R CB -1.377 28.946 30.300 0.038 0.000 1.124 25 R HN 0.108 nan 8.270 nan 0.000 0.444 26 D N -0.522 119.799 120.400 -0.130 0.000 2.310 26 D HA -0.083 4.557 4.640 -0.000 0.000 0.212 26 D C 1.045 177.221 176.300 -0.208 0.000 0.965 26 D CA 0.987 54.849 54.000 -0.230 0.000 0.879 26 D CB -0.050 40.506 40.800 -0.406 0.000 0.921 26 D HN 0.320 nan 8.370 nan 0.000 0.510 27 F N 0.534 120.514 119.950 0.051 0.000 2.804 27 F HA 0.076 4.603 4.527 -0.000 0.000 0.303 27 F C 1.459 177.300 175.800 0.068 0.000 1.154 27 F CA 0.201 58.254 58.000 0.088 0.000 1.401 27 F CB 0.247 39.318 39.000 0.117 0.000 1.106 27 F HN -0.171 nan 8.300 nan 0.000 0.568 28 D N -0.522 119.984 120.400 0.177 0.000 2.366 28 D HA 0.144 4.784 4.640 -0.000 0.000 0.205 28 D C 2.029 178.378 176.300 0.082 0.000 1.022 28 D CA 0.550 54.622 54.000 0.121 0.000 0.868 28 D CB 0.136 40.988 40.800 0.087 0.000 0.953 28 D HN 0.187 nan 8.370 nan 0.000 0.514 29 A N 0.345 123.204 122.820 0.064 0.000 2.308 29 A HA 0.360 4.680 4.320 -0.000 0.000 0.217 29 A C 0.884 178.497 177.584 0.048 0.000 1.216 29 A CA -0.063 51.999 52.037 0.042 0.000 0.864 29 A CB -0.333 18.678 19.000 0.019 0.000 0.902 29 A HN 0.282 nan 8.150 nan 0.000 0.499 30 I N -5.274 115.342 120.570 0.078 0.000 3.466 30 I HA 0.632 4.802 4.170 -0.000 0.000 0.311 30 I C -0.343 175.832 176.117 0.096 0.000 1.155 30 I CA -1.344 60.003 61.300 0.077 0.000 0.959 30 I CB 1.465 39.514 38.000 0.082 0.000 1.332 30 I HN -0.175 nan 8.210 nan 0.000 0.483 31 R N 2.337 122.876 120.500 0.065 0.000 2.371 31 R HA 0.538 4.878 4.340 -0.000 0.000 0.312 31 R C -2.938 173.369 176.300 0.011 0.000 0.980 31 R CA -1.926 54.200 56.100 0.045 0.000 0.867 31 R CB 1.747 32.057 30.300 0.017 0.000 1.163 31 R HN 0.484 nan 8.270 nan 0.000 0.492 32 P HA 0.155 nan 4.420 nan 0.000 0.279 32 P C -0.826 176.265 177.300 -0.348 0.000 1.239 32 P CA -0.333 62.708 63.100 -0.099 0.000 0.789 32 P CB 1.589 33.312 31.700 0.038 0.000 0.933 33 V N 4.075 123.699 119.914 -0.483 0.000 2.419 33 V HA 0.319 4.439 4.120 -0.000 0.000 0.287 33 V C -0.338 175.589 176.094 -0.279 0.000 1.017 33 V CA -0.390 61.719 62.300 -0.319 0.000 0.844 33 V CB 0.492 32.283 31.823 -0.053 0.000 1.011 33 V HN 0.312 nan 8.190 nan 0.000 0.429 34 F N 4.492 124.461 119.950 0.030 0.000 2.394 34 F HA 0.753 5.280 4.527 -0.000 0.000 0.340 34 F C -0.048 175.867 175.800 0.191 0.000 1.105 34 F CA -0.548 57.517 58.000 0.108 0.000 1.124 34 F CB 0.998 39.756 39.000 -0.404 0.000 1.145 34 F HN 0.267 nan 8.300 nan 0.000 0.505 35 F N 0.572 120.843 119.950 0.534 0.000 2.575 35 F HA 0.675 5.202 4.527 -0.000 0.000 0.330 35 F C -0.010 176.029 175.800 0.399 0.000 1.056 35 F CA -1.267 56.944 58.000 0.352 0.000 0.964 35 F CB 2.084 41.182 39.000 0.163 0.000 1.258 35 F HN 0.295 nan 8.300 nan 0.000 0.484 36 S N -0.726 115.203 115.700 0.383 0.000 2.481 36 S HA 0.167 4.637 4.470 -0.000 0.000 0.262 36 S C 0.424 175.132 174.600 0.180 0.000 1.061 36 S CA -0.021 58.306 58.200 0.212 0.000 1.039 36 S CB 0.631 63.948 63.200 0.195 0.000 1.170 36 S HN 0.972 nan 8.310 nan 0.000 0.437 37 T N 1.999 116.656 114.554 0.171 0.000 2.848 37 T HA -0.124 4.225 4.350 -0.000 0.000 0.269 37 T C 1.578 176.378 174.700 0.168 0.000 1.081 37 T CA 2.351 64.597 62.100 0.244 0.000 1.125 37 T CB -0.337 68.711 68.868 0.300 0.000 0.848 37 T HN 0.571 nan 8.240 nan 0.000 0.503 38 S N 0.778 116.543 115.700 0.109 0.000 2.310 38 S HA 0.117 4.587 4.470 -0.000 0.000 0.205 38 S C 1.453 176.097 174.600 0.073 0.000 1.020 38 S CA 0.204 58.450 58.200 0.077 0.000 0.939 38 S CB -0.160 63.067 63.200 0.044 0.000 0.919 38 S HN 0.731 nan 8.310 nan 0.000 0.501 39 Q N 1.864 121.705 119.800 0.068 0.000 2.620 39 Q HA 0.298 4.638 4.340 -0.000 0.000 0.333 39 Q C -0.830 175.209 176.000 0.065 0.000 1.017 39 Q CA -0.244 55.594 55.803 0.059 0.000 0.962 39 Q CB -0.234 28.533 28.738 0.048 0.000 1.297 39 Q HN 0.501 nan 8.270 nan 0.000 0.419 40 L N 0.837 122.107 121.223 0.078 0.000 2.771 40 L HA -0.156 4.184 4.340 -0.000 0.000 0.278 40 L C 1.223 178.116 176.870 0.037 0.000 1.175 40 L CA 0.973 55.854 54.840 0.068 0.000 0.973 40 L CB -0.469 41.642 42.059 0.087 0.000 1.286 40 L HN 0.729 nan 8.230 nan 0.000 0.481 41 G N 1.216 110.026 108.800 0.018 0.000 2.481 41 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.200 41 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.200 41 G C 0.418 175.319 174.900 0.003 0.000 1.012 41 G CA -0.531 44.571 45.100 0.003 0.000 0.676 41 G HN 0.493 nan 8.290 nan 0.000 0.488 42 Q N 0.768 120.578 119.800 0.016 0.000 2.967 42 Q HA 0.485 4.825 4.340 -0.000 0.000 0.201 42 Q C 1.044 177.044 176.000 0.000 0.000 1.148 42 Q CA 0.432 56.242 55.803 0.011 0.000 1.177 42 Q CB 0.100 28.851 28.738 0.022 0.000 1.323 42 Q HN 0.976 nan 8.270 nan 0.000 0.676 43 A N -0.008 122.805 122.820 -0.012 0.000 2.498 43 A HA 0.414 4.734 4.320 -0.000 0.000 0.239 43 A C -0.250 177.305 177.584 -0.050 0.000 1.068 43 A CA 0.430 52.444 52.037 -0.039 0.000 0.766 43 A CB 0.037 19.005 19.000 -0.053 0.000 1.003 43 A HN 0.611 nan 8.150 nan 0.000 0.497 44 A N 3.416 126.181 122.820 -0.092 0.000 2.306 44 A HA 0.784 5.104 4.320 -0.000 0.000 0.330 44 A C -2.232 175.118 177.584 -0.390 0.000 1.146 44 A CA -1.744 50.196 52.037 -0.160 0.000 0.827 44 A CB 0.088 19.067 19.000 -0.034 0.000 1.178 44 A HN 0.735 nan 8.150 nan 0.000 0.490 45 P HA 0.126 nan 4.420 nan 0.000 0.269 45 P C -0.068 176.625 177.300 -1.012 0.000 1.209 45 P CA 0.014 62.410 63.100 -1.173 0.000 0.776 45 P CB 0.866 31.280 31.700 -2.144 0.000 0.876 46 S N 0.544 115.761 115.700 -0.805 0.000 2.694 46 S HA 0.238 4.708 4.470 -0.000 0.000 0.211 46 S C 0.410 174.748 174.600 -0.436 0.000 1.328 46 S CA -0.606 57.305 58.200 -0.480 0.000 1.236 46 S CB -1.055 61.979 63.200 -0.277 0.000 1.121 46 S HN 0.125 nan 8.310 nan 0.000 0.517 47 F N 2.168 121.829 119.950 -0.481 0.000 2.788 47 F HA 0.330 4.857 4.527 -0.000 0.000 0.300 47 F C 1.627 177.193 175.800 -0.389 0.000 1.229 47 F CA -0.339 57.373 58.000 -0.480 0.000 1.446 47 F CB -0.413 38.137 39.000 -0.750 0.000 1.118 47 F HN 0.694 nan 8.300 nan 0.000 0.579 48 G N -1.562 107.155 108.800 -0.138 0.000 4.918 48 G HA2 0.371 4.331 3.960 -0.000 0.000 0.220 48 G HA3 0.371 4.331 3.960 -0.000 0.000 0.220 48 G C 0.711 175.607 174.900 -0.006 0.000 2.090 48 G CA -0.152 44.946 45.100 -0.004 0.000 0.632 48 G HN 0.418 nan 8.290 nan 0.000 0.234 49 G N 0.484 109.264 108.800 -0.035 0.000 2.296 49 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.282 49 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.282 49 G C 0.392 175.272 174.900 -0.033 0.000 1.014 49 G CA 0.927 46.009 45.100 -0.029 0.000 0.812 49 G HN 1.197 nan 8.290 nan 0.000 0.508 50 T N -0.067 114.452 114.554 -0.059 0.000 2.945 50 T HA 0.781 5.131 4.350 -0.000 0.000 0.286 50 T C 0.259 174.921 174.700 -0.063 0.000 1.025 50 T CA 0.139 62.215 62.100 -0.040 0.000 1.039 50 T CB 2.135 70.994 68.868 -0.014 0.000 1.068 50 T HN 1.032 nan 8.240 nan 0.000 0.497 51 T N -1.720 112.809 114.554 -0.042 0.000 2.933 51 T HA 0.841 5.191 4.350 -0.000 0.000 0.305 51 T C -0.328 174.351 174.700 -0.035 0.000 1.092 51 T CA -0.696 61.373 62.100 -0.051 0.000 1.008 51 T CB 1.893 70.734 68.868 -0.047 0.000 1.102 51 T HN 1.167 nan 8.240 nan 0.000 0.469 52 G N 1.083 109.860 108.800 -0.039 0.000 2.328 52 G HA2 0.555 4.515 3.960 -0.000 0.000 0.295 52 G HA3 0.555 4.515 3.960 -0.000 0.000 0.295 52 G C -0.736 174.141 174.900 -0.038 0.000 1.413 52 G CA -0.281 44.798 45.100 -0.035 0.000 0.817 52 G HN 1.190 nan 8.290 nan 0.000 0.546 53 T N -0.838 113.688 114.554 -0.048 0.000 2.909 53 T HA 0.651 5.001 4.350 -0.000 0.000 0.286 53 T C 0.406 175.067 174.700 -0.064 0.000 1.002 53 T CA -0.626 61.446 62.100 -0.047 0.000 1.074 53 T CB 1.484 70.323 68.868 -0.048 0.000 0.984 53 T HN 0.511 nan 8.240 nan 0.000 0.495 54 L N 3.278 124.485 121.223 -0.027 0.000 2.433 54 L HA 0.177 4.517 4.340 -0.000 0.000 0.275 54 L C 0.834 177.639 176.870 -0.108 0.000 1.128 54 L CA -0.592 54.244 54.840 -0.008 0.000 0.875 54 L CB 0.442 42.558 42.059 0.096 0.000 1.171 54 L HN 0.595 nan 8.230 nan 0.000 0.463 55 Q N 1.902 121.488 119.800 -0.357 0.000 2.317 55 Q HA 0.125 4.465 4.340 -0.000 0.000 0.229 55 Q C -0.402 175.502 176.000 -0.160 0.000 0.984 55 Q CA -0.496 55.009 55.803 -0.495 0.000 0.911 55 Q CB 0.885 28.867 28.738 -1.260 0.000 1.217 55 Q HN 0.382 nan 8.270 nan 0.000 0.501 56 D N 0.227 120.665 120.400 0.063 0.000 2.338 56 D HA 0.160 4.800 4.640 -0.000 0.000 0.255 56 D C 0.481 177.097 176.300 0.527 0.000 1.237 56 D CA 0.008 54.176 54.000 0.279 0.000 0.883 56 D CB 0.946 41.884 40.800 0.230 0.000 1.087 56 D HN 0.535 nan 8.370 nan 0.000 0.485 57 A N 3.826 126.921 122.820 0.459 0.000 2.084 57 A HA -0.173 4.147 4.320 -0.000 0.000 0.221 57 A C 1.322 178.854 177.584 -0.087 0.000 1.161 57 A CA 0.973 53.108 52.037 0.165 0.000 0.653 57 A CB -0.441 18.468 19.000 -0.152 0.000 0.802 57 A HN 0.594 nan 8.150 nan 0.000 0.457 58 F N -0.693 119.439 119.950 0.305 0.000 2.654 58 F HA 0.216 4.743 4.527 0.000 0.000 0.303 58 F C 0.260 176.138 175.800 0.130 0.000 1.099 58 F CA -0.929 57.187 58.000 0.193 0.000 1.270 58 F CB 0.432 39.521 39.000 0.148 0.000 1.024 58 F HN 0.003 nan 8.300 nan 0.000 0.548 59 D N 1.498 122.063 120.400 0.275 0.000 2.435 59 D HA 0.135 4.775 4.640 -0.000 0.000 0.230 59 D C 1.357 177.731 176.300 0.125 0.000 1.215 59 D CA 0.280 54.398 54.000 0.196 0.000 0.947 59 D CB 0.395 41.319 40.800 0.206 0.000 1.048 59 D HN 0.222 nan 8.370 nan 0.000 0.512 60 L N 2.400 123.666 121.223 0.071 0.000 2.043 60 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 60 L C 2.287 179.146 176.870 -0.018 0.000 1.075 60 L CA 1.109 55.943 54.840 -0.011 0.000 0.752 60 L CB -0.244 41.803 42.059 -0.020 0.000 0.891 60 L HN 0.421 nan 8.230 nan 0.000 0.432 61 E N 0.117 120.333 120.200 0.026 0.000 2.058 61 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 61 E C 2.319 178.948 176.600 0.049 0.000 0.997 61 E CA 1.317 57.736 56.400 0.032 0.000 0.801 61 E CB -0.149 29.576 29.700 0.041 0.000 0.746 61 E HN 0.522 nan 8.360 nan 0.000 0.450 62 A N 0.801 123.674 122.820 0.089 0.000 1.972 62 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 62 A C 2.141 179.823 177.584 0.165 0.000 1.169 62 A CA 0.978 53.099 52.037 0.139 0.000 0.635 62 A CB -0.458 18.659 19.000 0.195 0.000 0.810 62 A HN 0.134 nan 8.150 nan 0.000 0.446 63 L N -1.159 120.104 121.223 0.067 0.000 2.072 63 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 63 L C 2.431 179.147 176.870 -0.255 0.000 1.079 63 L CA 1.381 56.149 54.840 -0.120 0.000 0.752 63 L CB -0.367 41.533 42.059 -0.265 0.000 0.906 63 L HN 0.248 nan 8.230 nan 0.000 0.436 64 K N 0.329 120.602 120.400 -0.213 0.000 2.209 64 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 64 K C 2.058 178.774 176.600 0.193 0.000 1.048 64 K CA 1.157 57.386 56.287 -0.097 0.000 0.940 64 K CB -0.191 32.323 32.500 0.025 0.000 0.729 64 K HN 0.284 nan 8.250 nan 0.000 0.451 65 A N 0.774 123.671 122.820 0.128 0.000 2.168 65 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 65 A C 0.748 178.444 177.584 0.187 0.000 1.152 65 A CA 0.541 52.666 52.037 0.147 0.000 0.716 65 A CB -0.300 18.760 19.000 0.101 0.000 0.794 65 A HN 0.100 nan 8.150 nan 0.000 0.465 66 L N -0.553 120.816 121.223 0.242 0.000 2.421 66 L HA 0.267 4.607 4.340 -0.000 0.000 0.263 66 L C 0.581 177.679 176.870 0.380 0.000 1.122 66 L CA -0.753 54.240 54.840 0.256 0.000 0.804 66 L CB 0.602 42.780 42.059 0.198 0.000 1.150 66 L HN 0.133 nan 8.230 nan 0.000 0.457 67 D N 0.881 121.424 120.400 0.238 0.000 2.262 67 D HA 0.262 4.902 4.640 -0.000 0.000 0.212 67 D C 0.315 176.758 176.300 0.239 0.000 0.964 67 D CA 1.130 55.234 54.000 0.174 0.000 0.875 67 D CB 0.793 41.658 40.800 0.108 0.000 0.996 67 D HN 0.253 nan 8.370 nan 0.000 0.497 68 I N 0.621 121.342 120.570 0.251 0.000 2.769 68 I HA 0.362 4.532 4.170 -0.000 0.000 0.298 68 I C -0.873 175.334 176.117 0.149 0.000 1.128 68 I CA -0.751 60.708 61.300 0.265 0.000 1.031 68 I CB 3.156 41.243 38.000 0.146 0.000 1.235 68 I HN -0.332 nan 8.210 nan 0.000 0.423 69 I N 5.209 125.880 120.570 0.169 0.000 2.466 69 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 69 I C -0.966 174.993 176.117 -0.263 0.000 1.026 69 I CA -0.838 60.391 61.300 -0.118 0.000 1.078 69 I CB 2.291 40.206 38.000 -0.142 0.000 1.249 69 I HN 0.142 nan 8.210 nan 0.000 0.429 70 V N 4.812 124.571 119.914 -0.258 0.000 2.304 70 V HA 0.334 4.454 4.120 -0.000 0.000 0.278 70 V C 0.181 176.212 176.094 -0.105 0.000 1.018 70 V CA -0.525 61.714 62.300 -0.102 0.000 0.814 70 V CB 1.300 33.267 31.823 0.240 0.000 1.021 70 V HN 0.826 nan 8.190 nan 0.000 0.440 71 T N 0.377 114.759 114.554 -0.287 0.000 2.867 71 T HA 0.445 4.795 4.350 -0.000 0.000 0.282 71 T C 0.095 174.737 174.700 -0.098 0.000 1.000 71 T CA -0.555 61.409 62.100 -0.225 0.000 1.042 71 T CB 1.492 70.181 68.868 -0.298 0.000 0.973 71 T HN 0.531 nan 8.240 nan 0.000 0.465 72 C N 2.252 121.511 119.300 -0.068 0.000 3.359 72 C HA 0.326 4.786 4.460 -0.000 0.000 0.258 72 C C 1.749 176.703 174.990 -0.060 0.000 1.840 72 C CA -0.395 58.600 59.018 -0.039 0.000 1.746 72 C CB -0.764 26.966 27.740 -0.016 0.000 3.306 72 C HN 1.045 nan 8.230 nan 0.000 0.485 73 Q N 1.761 121.502 119.800 -0.099 0.000 2.212 73 Q HA 0.391 4.731 4.340 -0.000 0.000 0.199 73 Q C 1.028 177.035 176.000 0.012 0.000 0.950 73 Q CA 1.742 57.474 55.803 -0.119 0.000 0.863 73 Q CB 0.157 28.673 28.738 -0.370 0.000 0.944 73 Q HN 0.697 nan 8.270 nan 0.000 0.465 74 G N -2.703 106.141 108.800 0.074 0.000 2.440 74 G HA2 0.052 4.012 3.960 -0.000 0.000 0.684 74 G HA3 0.052 4.012 3.960 -0.000 0.000 0.684 74 G C 0.424 175.431 174.900 0.178 0.000 1.309 74 G CA -0.345 44.822 45.100 0.110 0.000 0.931 74 G HN 0.291 nan 8.290 nan 0.000 0.612 75 G N -0.842 108.042 108.800 0.140 0.000 2.443 75 G HA2 0.027 3.987 3.960 -0.000 0.000 0.219 75 G HA3 0.027 3.987 3.960 -0.000 0.000 0.219 75 G C 1.173 176.164 174.900 0.152 0.000 1.131 75 G CA 1.912 47.096 45.100 0.139 0.000 0.775 75 G HN 0.686 nan 8.290 nan 0.000 0.547 76 D N -0.783 119.715 120.400 0.163 0.000 2.117 76 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 76 D C 1.847 178.284 176.300 0.229 0.000 0.987 76 D CA 0.678 54.779 54.000 0.169 0.000 0.829 76 D CB -0.217 40.683 40.800 0.166 0.000 0.961 76 D HN 0.374 nan 8.370 nan 0.000 0.460 77 Y N 1.199 121.595 120.300 0.160 0.000 2.109 77 Y HA -0.202 4.348 4.550 -0.000 0.000 0.285 77 Y C 2.429 178.447 175.900 0.197 0.000 1.131 77 Y CA 1.954 60.163 58.100 0.183 0.000 1.121 77 Y CB -0.713 37.807 38.460 0.099 0.000 0.987 77 Y HN -0.127 nan 8.280 nan 0.000 0.495 78 T N 1.208 115.963 114.554 0.336 0.000 2.653 78 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 78 T C 1.586 176.331 174.700 0.074 0.000 1.035 78 T CA 1.830 64.112 62.100 0.304 0.000 1.154 78 T CB -0.464 68.621 68.868 0.360 0.000 0.862 78 T HN 0.359 nan 8.240 nan 0.000 0.441 79 N N 0.551 119.294 118.700 0.071 0.000 2.443 79 N HA -0.051 4.689 4.740 -0.000 0.000 0.184 79 N C 1.754 177.267 175.510 0.005 0.000 1.037 79 N CA 0.686 53.756 53.050 0.033 0.000 0.896 79 N CB -0.071 38.443 38.487 0.045 0.000 0.959 79 N HN 0.648 nan 8.380 nan 0.000 0.442 80 E N -0.338 119.850 120.200 -0.019 0.000 2.110 80 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 80 E C 1.459 177.993 176.600 -0.110 0.000 0.950 80 E CA 0.056 56.436 56.400 -0.033 0.000 0.840 80 E CB 0.256 29.980 29.700 0.039 0.000 0.809 80 E HN -0.031 nan 8.360 nan 0.000 0.465 81 I N 1.004 121.422 120.570 -0.253 0.000 2.193 81 I HA -0.195 3.975 4.170 -0.000 0.000 0.240 81 I C 2.361 178.284 176.117 -0.323 0.000 1.084 81 I CA 1.124 62.233 61.300 -0.319 0.000 1.365 81 I CB -1.617 36.032 38.000 -0.584 0.000 1.064 81 I HN 0.254 nan 8.210 nan 0.000 0.410 82 Y N 3.429 123.395 120.300 -0.557 0.000 2.029 82 Y HA -0.254 4.296 4.550 -0.000 0.000 0.269 82 Y C -0.400 175.246 175.900 -0.422 0.000 1.201 82 Y CA 2.873 60.514 58.100 -0.765 0.000 1.115 82 Y CB -1.974 35.973 38.460 -0.854 0.000 0.945 82 Y HN 0.152 nan 8.280 nan 0.000 0.497 83 P HA -0.158 nan 4.420 nan 0.000 0.218 83 P C 1.020 178.181 177.300 -0.232 0.000 1.149 83 P CA 2.030 64.983 63.100 -0.245 0.000 0.817 83 P CB -0.118 31.533 31.700 -0.082 0.000 0.785 84 K N -0.455 119.827 120.400 -0.197 0.000 2.097 84 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 84 K C 2.285 178.782 176.600 -0.172 0.000 1.049 84 K CA 1.055 57.252 56.287 -0.150 0.000 0.933 84 K CB -0.466 31.962 32.500 -0.120 0.000 0.717 84 K HN 0.197 nan 8.250 nan 0.000 0.442 85 L N 0.316 121.384 121.223 -0.259 0.000 2.049 85 L HA -0.119 4.221 4.340 -0.000 0.000 0.203 85 L C 2.519 179.325 176.870 -0.108 0.000 1.074 85 L CA 0.802 55.510 54.840 -0.220 0.000 0.749 85 L CB -0.277 41.548 42.059 -0.390 0.000 0.907 85 L HN 0.088 nan 8.230 nan 0.000 0.439 86 R N 0.602 120.941 120.500 -0.269 0.000 2.081 86 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 86 R C 1.951 178.168 176.300 -0.139 0.000 1.131 86 R CA 1.302 57.263 56.100 -0.233 0.000 0.960 86 R CB -0.688 29.324 30.300 -0.480 0.000 0.856 86 R HN 0.483 nan 8.270 nan 0.000 0.436 87 E N 0.480 120.592 120.200 -0.146 0.000 2.338 87 E HA -0.088 4.262 4.350 -0.000 0.000 0.197 87 E C 1.480 178.045 176.600 -0.058 0.000 1.007 87 E CA 1.156 57.501 56.400 -0.091 0.000 0.849 87 E CB 0.012 29.660 29.700 -0.086 0.000 0.774 87 E HN 0.255 nan 8.360 nan 0.000 0.506 88 S N -1.043 114.627 115.700 -0.049 0.000 2.575 88 S HA 0.171 4.641 4.470 -0.000 0.000 0.215 88 S C 1.477 176.085 174.600 0.014 0.000 0.966 88 S CA 0.507 58.697 58.200 -0.017 0.000 0.911 88 S CB 0.466 63.656 63.200 -0.017 0.000 0.780 88 S HN 0.345 nan 8.310 nan 0.000 0.514 89 G N 0.148 108.952 108.800 0.008 0.000 2.194 89 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.236 89 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.236 89 G C -0.130 174.798 174.900 0.047 0.000 0.987 89 G CA -0.139 44.967 45.100 0.010 0.000 0.635 89 G HN 0.623 nan 8.290 nan 0.000 0.520 90 W N 2.594 123.831 121.300 -0.106 0.000 2.443 90 W HA 0.486 5.146 4.660 -0.000 0.000 0.335 90 W C 0.951 177.403 176.519 -0.111 0.000 1.382 90 W CA 0.847 58.135 57.345 -0.094 0.000 1.305 90 W CB 0.409 29.814 29.460 -0.093 0.000 1.283 90 W HN 0.270 nan 8.180 nan 0.000 0.567 91 Q N 4.916 124.345 119.800 -0.619 0.000 2.186 91 Q HA 0.212 4.552 4.340 -0.000 0.000 0.241 91 Q C 0.888 176.273 176.000 -1.024 0.000 0.849 91 Q CA -0.203 55.210 55.803 -0.650 0.000 1.053 91 Q CB 0.634 29.144 28.738 -0.380 0.000 1.146 91 Q HN 0.616 nan 8.270 nan 0.000 0.475 92 G N -0.053 107.554 108.800 -1.988 0.000 2.616 92 G HA2 0.196 4.156 3.960 -0.000 0.000 0.268 92 G HA3 0.196 4.156 3.960 -0.000 0.000 0.268 92 G C -0.882 173.392 174.900 -1.045 0.000 1.213 92 G CA -0.303 43.826 45.100 -1.617 0.000 0.926 92 G HN 0.110 nan 8.290 nan 0.000 0.523 93 Y N -0.601 119.579 120.300 -0.199 0.000 2.304 93 Y HA 0.317 4.867 4.550 -0.000 0.000 0.328 93 Y C 0.063 176.234 175.900 0.452 0.000 1.123 93 Y CA -0.646 57.544 58.100 0.149 0.000 1.218 93 Y CB 1.210 39.770 38.460 0.168 0.000 1.207 93 Y HN 0.459 nan 8.280 nan 0.000 0.495 94 W N 6.996 128.591 121.300 0.492 0.000 2.393 94 W HA 0.535 5.195 4.660 -0.000 0.000 0.315 94 W C -1.883 174.849 176.519 0.354 0.000 1.009 94 W CA -1.109 56.516 57.345 0.467 0.000 1.313 94 W CB 0.828 30.625 29.460 0.562 0.000 1.269 94 W HN 0.452 nan 8.180 nan 0.000 0.420 95 I N 6.053 126.646 120.570 0.039 0.000 2.330 95 I HA 0.106 4.276 4.170 -0.000 0.000 0.286 95 I C -0.125 175.883 176.117 -0.181 0.000 1.025 95 I CA 0.039 61.360 61.300 0.035 0.000 1.197 95 I CB 1.074 39.098 38.000 0.040 0.000 1.358 95 I HN 0.193 nan 8.210 nan 0.000 0.467 96 D N 4.117 124.491 120.400 -0.044 0.000 2.342 96 D HA 0.587 5.227 4.640 -0.000 0.000 0.243 96 D C 0.313 176.634 176.300 0.034 0.000 1.019 96 D CA -0.409 53.573 54.000 -0.031 0.000 0.864 96 D CB 2.431 43.339 40.800 0.179 0.000 1.315 96 D HN 0.506 nan 8.370 nan 0.000 0.468 97 A N 1.809 124.642 122.820 0.022 0.000 2.140 97 A HA 0.517 4.836 4.320 -0.000 0.000 0.209 97 A C 0.984 178.594 177.584 0.044 0.000 1.181 97 A CA 0.616 52.668 52.037 0.025 0.000 0.824 97 A CB -0.167 18.835 19.000 0.002 0.000 0.879 97 A HN 0.570 nan 8.150 nan 0.000 0.480 98 A N 0.557 123.418 122.820 0.068 0.000 2.445 98 A HA 0.426 4.746 4.320 -0.000 0.000 0.242 98 A C 1.546 179.171 177.584 0.068 0.000 1.075 98 A CA 0.417 52.500 52.037 0.077 0.000 0.777 98 A CB 0.151 19.219 19.000 0.113 0.000 1.013 98 A HN 0.959 nan 8.150 nan 0.000 0.493 99 S N 1.382 117.114 115.700 0.054 0.000 2.453 99 S HA -0.123 4.347 4.470 -0.000 0.000 0.231 99 S C 1.742 176.356 174.600 0.023 0.000 1.005 99 S CA 1.168 59.391 58.200 0.038 0.000 0.949 99 S CB -0.643 62.579 63.200 0.037 0.000 0.774 99 S HN 0.783 nan 8.310 nan 0.000 0.510 100 S N 2.944 118.661 115.700 0.028 0.000 2.406 100 S HA -0.193 4.277 4.470 -0.000 0.000 0.242 100 S C 1.585 176.162 174.600 -0.039 0.000 1.079 100 S CA 2.127 60.328 58.200 0.003 0.000 1.133 100 S CB -0.766 62.443 63.200 0.015 0.000 1.005 100 S HN 0.588 nan 8.310 nan 0.000 0.443 101 L N 0.485 121.669 121.223 -0.065 0.000 2.567 101 L HA 0.189 4.529 4.340 -0.000 0.000 0.225 101 L C 2.330 179.159 176.870 -0.068 0.000 1.119 101 L CA 0.006 54.773 54.840 -0.122 0.000 0.871 101 L CB -0.280 41.616 42.059 -0.270 0.000 1.036 101 L HN 0.158 nan 8.230 nan 0.000 0.459 102 R N 0.154 120.639 120.500 -0.026 0.000 2.140 102 R HA -0.204 4.135 4.340 -0.000 0.000 0.250 102 R C 1.546 177.832 176.300 -0.023 0.000 1.150 102 R CA 1.390 57.483 56.100 -0.011 0.000 0.966 102 R CB -0.300 30.002 30.300 0.003 0.000 0.869 102 R HN 0.272 nan 8.270 nan 0.000 0.445 103 M N 0.728 120.310 119.600 -0.029 0.000 2.494 103 M HA 0.089 4.569 4.480 -0.000 0.000 0.232 103 M C -0.033 176.247 176.300 -0.034 0.000 1.137 103 M CA 0.115 55.397 55.300 -0.029 0.000 1.012 103 M CB -0.070 32.512 32.600 -0.030 0.000 1.567 103 M HN -0.188 nan 8.290 nan 0.000 0.486 104 K N 1.353 121.727 120.400 -0.044 0.000 2.382 104 K HA 0.005 4.325 4.320 -0.000 0.000 0.275 104 K C 0.721 177.299 176.600 -0.036 0.000 1.009 104 K CA 0.057 56.320 56.287 -0.041 0.000 0.970 104 K CB 0.685 33.151 32.500 -0.056 0.000 0.934 104 K HN 0.143 nan 8.250 nan 0.000 0.479 105 D N 1.346 121.730 120.400 -0.027 0.000 2.264 105 D HA -0.137 4.503 4.640 -0.000 0.000 0.208 105 D C 0.524 176.805 176.300 -0.032 0.000 0.966 105 D CA 1.167 55.152 54.000 -0.025 0.000 0.864 105 D CB 0.351 41.140 40.800 -0.019 0.000 0.933 105 D HN 0.543 nan 8.370 nan 0.000 0.499 106 D N -0.248 120.132 120.400 -0.034 0.000 2.427 106 D HA 0.239 4.879 4.640 -0.000 0.000 0.224 106 D C -0.059 176.189 176.300 -0.088 0.000 1.157 106 D CA -0.311 53.661 54.000 -0.046 0.000 0.828 106 D CB 0.121 40.907 40.800 -0.023 0.000 0.974 106 D HN -0.056 nan 8.370 nan 0.000 0.498 107 A N 0.141 122.902 122.820 -0.099 0.000 2.413 107 A HA 0.725 5.045 4.320 -0.000 0.000 0.307 107 A C -0.865 176.639 177.584 -0.134 0.000 1.087 107 A CA -0.804 51.141 52.037 -0.153 0.000 0.750 107 A CB 1.439 20.373 19.000 -0.111 0.000 1.296 107 A HN 0.208 nan 8.150 nan 0.000 0.423 108 I N 1.832 122.296 120.570 -0.177 0.000 2.465 108 I HA 0.323 4.493 4.170 -0.000 0.000 0.291 108 I C -0.774 175.391 176.117 0.080 0.000 1.014 108 I CA -0.541 60.746 61.300 -0.021 0.000 1.093 108 I CB 1.912 39.955 38.000 0.072 0.000 1.267 108 I HN 0.528 nan 8.210 nan 0.000 0.431 109 I N 6.880 127.494 120.570 0.072 0.000 2.379 109 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 109 I C 0.244 176.425 176.117 0.107 0.000 1.063 109 I CA -0.356 60.991 61.300 0.078 0.000 1.351 109 I CB 0.390 38.413 38.000 0.037 0.000 1.410 109 I HN 0.392 nan 8.210 nan 0.000 0.505 110 I N 5.310 125.960 120.570 0.134 0.000 2.395 110 I HA 0.518 4.688 4.170 -0.000 0.000 0.289 110 I C -0.482 175.675 176.117 0.067 0.000 1.023 110 I CA -0.489 60.879 61.300 0.114 0.000 1.350 110 I CB 1.368 39.440 38.000 0.120 0.000 1.409 110 I HN 0.495 nan 8.210 nan 0.000 0.507 111 L N 7.139 128.390 121.223 0.047 0.000 2.338 111 L HA 0.147 4.487 4.340 -0.000 0.000 0.264 111 L C 0.763 177.641 176.870 0.013 0.000 1.502 111 L CA 0.031 54.889 54.840 0.030 0.000 0.751 111 L CB 0.185 42.240 42.059 -0.008 0.000 0.926 111 L HN 0.848 nan 8.230 nan 0.000 0.528 112 D N 0.482 120.898 120.400 0.026 0.000 2.149 112 D HA -0.211 4.429 4.640 -0.000 0.000 0.194 112 D C -1.193 175.121 176.300 0.023 0.000 1.001 112 D CA 1.642 55.653 54.000 0.019 0.000 0.849 112 D CB -0.990 39.819 40.800 0.016 0.000 0.939 112 D HN 0.392 nan 8.370 nan 0.000 0.449 113 P HA -0.035 nan 4.420 nan 0.000 0.225 113 P C 1.602 178.953 177.300 0.085 0.000 1.148 113 P CA 0.555 63.673 63.100 0.030 0.000 0.779 113 P CB 0.172 31.804 31.700 -0.114 0.000 0.780 114 V N -0.395 119.554 119.914 0.058 0.000 2.806 114 V HA 0.076 4.196 4.120 -0.000 0.000 0.239 114 V C 1.084 177.220 176.094 0.069 0.000 1.113 114 V CA 1.313 63.685 62.300 0.119 0.000 1.137 114 V CB -0.460 31.364 31.823 0.002 0.000 0.865 114 V HN 0.210 nan 8.190 nan 0.000 0.482 115 N N 0.077 118.796 118.700 0.032 0.000 2.541 115 N HA 0.099 4.839 4.740 -0.000 0.000 0.297 115 N C 0.901 176.428 175.510 0.029 0.000 1.503 115 N CA -0.185 52.883 53.050 0.030 0.000 0.919 115 N CB 0.644 39.145 38.487 0.024 0.000 1.305 115 N HN 0.270 nan 8.380 nan 0.000 0.501 116 Q N 1.584 121.395 119.800 0.019 0.000 2.112 116 Q HA -0.221 4.119 4.340 -0.000 0.000 0.206 116 Q C 1.156 177.163 176.000 0.012 0.000 0.987 116 Q CA 2.396 58.203 55.803 0.008 0.000 0.858 116 Q CB -0.130 28.609 28.738 0.003 0.000 0.905 116 Q HN 0.553 nan 8.270 nan 0.000 0.420 117 D N -0.988 119.421 120.400 0.016 0.000 2.149 117 D HA -0.151 4.489 4.640 -0.000 0.000 0.198 117 D C 1.755 178.076 176.300 0.034 0.000 0.990 117 D CA 1.423 55.435 54.000 0.020 0.000 0.839 117 D CB -0.524 40.287 40.800 0.018 0.000 0.948 117 D HN 0.281 nan 8.370 nan 0.000 0.460 118 V N 0.684 120.624 119.914 0.043 0.000 2.667 118 V HA -0.122 3.998 4.120 -0.000 0.000 0.252 118 V C 2.578 178.730 176.094 0.097 0.000 1.065 118 V CA 0.727 63.063 62.300 0.060 0.000 1.083 118 V CB -0.285 31.571 31.823 0.055 0.000 0.692 118 V HN 0.149 nan 8.190 nan 0.000 0.468 119 I N -0.653 119.971 120.570 0.090 0.000 2.235 119 I HA -0.184 3.986 4.170 -0.000 0.000 0.241 119 I C 2.569 178.740 176.117 0.090 0.000 1.085 119 I CA 1.594 62.966 61.300 0.120 0.000 1.378 119 I CB -0.469 37.531 38.000 0.001 0.000 1.076 119 I HN 0.219 nan 8.210 nan 0.000 0.415 120 T N -0.027 114.546 114.554 0.032 0.000 2.684 120 T HA -0.252 4.098 4.350 -0.000 0.000 0.267 120 T C 1.507 176.241 174.700 0.057 0.000 1.036 120 T CA 2.069 64.183 62.100 0.023 0.000 1.148 120 T CB -0.314 68.559 68.868 0.007 0.000 0.863 120 T HN 0.309 nan 8.240 nan 0.000 0.436 121 D N 0.162 120.599 120.400 0.061 0.000 2.087 121 D HA -0.046 4.594 4.640 -0.000 0.000 0.192 121 D C 2.311 178.664 176.300 0.089 0.000 0.993 121 D CA 1.484 55.521 54.000 0.062 0.000 0.828 121 D CB -0.699 40.131 40.800 0.051 0.000 0.968 121 D HN 0.390 nan 8.370 nan 0.000 0.448 122 G N 0.049 108.921 108.800 0.121 0.000 2.450 122 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 122 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 122 G C 1.723 176.749 174.900 0.210 0.000 1.130 122 G CA 0.529 45.717 45.100 0.145 0.000 0.760 122 G HN 0.289 nan 8.290 nan 0.000 0.557 123 L N 0.333 121.708 121.223 0.254 0.000 2.046 123 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 123 L C 2.548 179.525 176.870 0.178 0.000 1.077 123 L CA 1.030 56.033 54.840 0.271 0.000 0.747 123 L CB -0.224 41.911 42.059 0.127 0.000 0.896 123 L HN 0.135 nan 8.230 nan 0.000 0.432 124 N N -0.340 118.428 118.700 0.114 0.000 2.396 124 N HA -0.100 4.639 4.740 -0.000 0.000 0.180 124 N C 1.002 176.552 175.510 0.067 0.000 1.028 124 N CA 0.729 53.826 53.050 0.078 0.000 0.893 124 N CB -0.308 38.211 38.487 0.053 0.000 0.967 124 N HN 0.296 nan 8.380 nan 0.000 0.440 125 N N 0.281 119.025 118.700 0.073 0.000 2.314 125 N HA 0.110 4.850 4.740 -0.000 0.000 0.200 125 N C 0.543 176.079 175.510 0.044 0.000 1.135 125 N CA 0.399 53.478 53.050 0.049 0.000 0.835 125 N CB 0.383 38.895 38.487 0.042 0.000 0.989 125 N HN 0.231 nan 8.380 nan 0.000 0.478 126 G N 0.927 109.766 108.800 0.066 0.000 2.212 126 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.255 126 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.255 126 G C -0.252 174.671 174.900 0.038 0.000 1.062 126 G CA -0.429 44.697 45.100 0.044 0.000 0.815 126 G HN 0.211 nan 8.290 nan 0.000 0.497 127 I N 0.552 121.176 120.570 0.089 0.000 2.325 127 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 127 I C 1.053 177.216 176.117 0.077 0.000 1.019 127 I CA -0.419 60.874 61.300 -0.013 0.000 1.302 127 I CB 1.282 39.215 38.000 -0.112 0.000 1.401 127 I HN 0.103 nan 8.210 nan 0.000 0.485 128 R N 3.196 123.695 120.500 -0.001 0.000 2.509 128 R HA 0.223 4.563 4.340 -0.000 0.000 0.300 128 R C -0.277 176.150 176.300 0.212 0.000 0.985 128 R CA -0.028 56.180 56.100 0.179 0.000 1.092 128 R CB 0.433 30.651 30.300 -0.137 0.000 1.237 128 R HN 0.442 nan 8.270 nan 0.000 0.546 129 T N 1.518 115.975 114.554 -0.161 0.000 2.847 129 T HA 0.543 4.893 4.350 -0.000 0.000 0.291 129 T C -1.054 173.374 174.700 -0.453 0.000 0.998 129 T CA -0.249 61.834 62.100 -0.028 0.000 0.967 129 T CB 0.695 69.594 68.868 0.052 0.000 0.954 129 T HN -0.099 nan 8.240 nan 0.000 0.441 130 F N 2.529 122.616 119.950 0.229 0.000 2.507 130 F HA 0.604 5.131 4.527 -0.000 0.000 0.328 130 F C -0.109 175.758 175.800 0.112 0.000 1.136 130 F CA -1.048 57.030 58.000 0.130 0.000 0.930 130 F CB 1.562 40.612 39.000 0.083 0.000 1.166 130 F HN 0.202 nan 8.300 nan 0.000 0.436 131 V N 1.486 121.521 119.914 0.202 0.000 2.628 131 V HA 0.803 4.923 4.120 -0.000 0.000 0.306 131 V C 0.422 176.580 176.094 0.107 0.000 1.045 131 V CA -1.103 61.278 62.300 0.136 0.000 0.905 131 V CB 1.524 33.398 31.823 0.085 0.000 0.997 131 V HN 0.878 nan 8.190 nan 0.000 0.436 132 G N 1.509 110.356 108.800 0.079 0.000 2.503 132 G HA2 0.547 4.507 3.960 -0.000 0.000 0.257 132 G HA3 0.547 4.507 3.960 -0.000 0.000 0.257 132 G C 0.272 175.202 174.900 0.050 0.000 1.214 132 G CA 0.264 45.400 45.100 0.059 0.000 0.839 132 G HN 1.120 nan 8.290 nan 0.000 0.559 133 G N -0.075 108.751 108.800 0.044 0.000 2.568 133 G HA2 0.353 4.313 3.960 -0.000 0.000 0.293 133 G HA3 0.353 4.313 3.960 -0.000 0.000 0.293 133 G C 0.179 175.102 174.900 0.038 0.000 1.347 133 G CA -0.791 44.329 45.100 0.035 0.000 1.039 133 G HN 0.677 nan 8.290 nan 0.000 0.523 134 N N -0.598 118.126 118.700 0.039 0.000 2.292 134 N HA -0.094 4.646 4.740 -0.000 0.000 0.258 134 N C 1.793 177.344 175.510 0.068 0.000 1.261 134 N CA 0.203 53.286 53.050 0.055 0.000 0.845 134 N CB 0.545 39.065 38.487 0.056 0.000 1.064 134 N HN 0.526 nan 8.380 nan 0.000 0.471 135 C N 0.866 120.219 119.300 0.088 0.000 2.422 135 C HA -0.053 4.407 4.460 -0.000 0.000 0.286 135 C C 2.185 177.281 174.990 0.176 0.000 1.412 135 C CA 0.781 59.859 59.018 0.101 0.000 1.786 135 C CB -1.829 25.956 27.740 0.076 0.000 1.835 135 C HN 0.818 nan 8.230 nan 0.000 0.533 136 T N -0.594 114.064 114.554 0.173 0.000 2.925 136 T HA 0.036 4.386 4.350 -0.000 0.000 0.245 136 T C 1.709 176.485 174.700 0.125 0.000 1.025 136 T CA 1.133 63.336 62.100 0.171 0.000 1.149 136 T CB -0.799 68.140 68.868 0.118 0.000 0.866 136 T HN 0.301 nan 8.240 nan 0.000 0.437 137 V N 2.179 122.143 119.914 0.084 0.000 2.282 137 V HA -0.226 3.893 4.120 -0.000 0.000 0.249 137 V C 3.055 179.145 176.094 -0.007 0.000 1.057 137 V CA 2.239 64.558 62.300 0.032 0.000 1.032 137 V CB -1.247 30.578 31.823 0.002 0.000 0.645 137 V HN 0.517 nan 8.190 nan 0.000 0.447 138 S N -0.165 115.542 115.700 0.011 0.000 2.377 138 S HA -0.217 4.253 4.470 -0.000 0.000 0.224 138 S C 1.878 176.464 174.600 -0.024 0.000 1.042 138 S CA 2.158 60.353 58.200 -0.007 0.000 1.086 138 S CB -0.478 62.746 63.200 0.040 0.000 0.995 138 S HN 0.486 nan 8.310 nan 0.000 0.428 139 L N 1.063 122.306 121.223 0.034 0.000 2.042 139 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 139 L C 2.617 179.499 176.870 0.021 0.000 1.076 139 L CA 1.636 56.498 54.840 0.037 0.000 0.749 139 L CB -0.563 41.558 42.059 0.104 0.000 0.893 139 L HN 0.448 nan 8.230 nan 0.000 0.432 140 M N -0.091 119.546 119.600 0.063 0.000 2.086 140 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 140 M C 2.264 178.501 176.300 -0.106 0.000 1.067 140 M CA 1.919 57.243 55.300 0.039 0.000 1.116 140 M CB -0.075 32.594 32.600 0.115 0.000 1.348 140 M HN 0.194 nan 8.290 nan 0.000 0.407 141 L N -0.048 121.081 121.223 -0.158 0.000 2.093 141 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 141 L C 2.678 179.410 176.870 -0.229 0.000 1.085 141 L CA 0.808 55.500 54.840 -0.247 0.000 0.755 141 L CB -0.600 41.286 42.059 -0.287 0.000 0.904 141 L HN 0.415 nan 8.230 nan 0.000 0.435 142 M N -0.886 118.584 119.600 -0.218 0.000 2.202 142 M HA -0.173 4.307 4.480 -0.000 0.000 0.262 142 M C 2.385 178.576 176.300 -0.182 0.000 1.063 142 M CA 1.540 56.675 55.300 -0.275 0.000 1.097 142 M CB -0.984 31.372 32.600 -0.408 0.000 1.382 142 M HN 0.151 nan 8.290 nan 0.000 0.413 143 S N 0.099 115.721 115.700 -0.130 0.000 2.371 143 S HA 0.158 4.628 4.470 -0.000 0.000 0.219 143 S C 1.648 176.181 174.600 -0.112 0.000 1.040 143 S CA 0.521 58.671 58.200 -0.083 0.000 0.958 143 S CB 0.048 63.225 63.200 -0.039 0.000 0.860 143 S HN 0.421 nan 8.310 nan 0.000 0.487 144 L N 1.822 122.968 121.223 -0.129 0.000 2.645 144 L HA 0.231 4.571 4.340 -0.000 0.000 0.234 144 L C 2.176 179.022 176.870 -0.039 0.000 1.165 144 L CA -0.049 54.730 54.840 -0.102 0.000 0.944 144 L CB -0.940 41.056 42.059 -0.104 0.000 1.149 144 L HN 0.345 nan 8.230 nan 0.000 0.446 145 G N 1.200 109.845 108.800 -0.260 0.000 2.529 145 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 145 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 145 G C 1.570 176.196 174.900 -0.458 0.000 1.177 145 G CA 0.943 45.660 45.100 -0.638 0.000 0.773 145 G HN 0.478 nan 8.290 nan 0.000 0.573 146 G N 0.594 109.219 108.800 -0.292 0.000 2.507 146 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.221 146 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.221 146 G C 1.812 176.700 174.900 -0.022 0.000 1.119 146 G CA 0.959 46.074 45.100 0.024 0.000 0.751 146 G HN 0.451 nan 8.290 nan 0.000 0.574 147 L N -1.236 119.917 121.223 -0.117 0.000 2.072 147 L HA 0.105 4.445 4.340 -0.000 0.000 0.205 147 L C 2.661 179.380 176.870 -0.252 0.000 1.079 147 L CA 0.632 55.334 54.840 -0.230 0.000 0.752 147 L CB -0.303 41.519 42.059 -0.396 0.000 0.906 147 L HN 0.160 nan 8.230 nan 0.000 0.436 148 F N -0.086 119.788 119.950 -0.125 0.000 2.163 148 F HA -0.082 4.444 4.527 -0.000 0.000 0.297 148 F C 2.561 178.335 175.800 -0.043 0.000 1.094 148 F CA 0.985 58.930 58.000 -0.092 0.000 1.290 148 F CB -0.694 38.240 39.000 -0.110 0.000 1.017 148 F HN -0.034 nan 8.300 nan 0.000 0.483 149 A N -0.518 122.410 122.820 0.180 0.000 2.225 149 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 149 A C 1.460 179.099 177.584 0.091 0.000 1.164 149 A CA 1.369 53.505 52.037 0.166 0.000 0.710 149 A CB -0.771 18.411 19.000 0.303 0.000 0.780 149 A HN 0.497 nan 8.150 nan 0.000 0.473 150 N N -0.533 118.192 118.700 0.041 0.000 2.238 150 N HA 0.047 4.787 4.740 -0.000 0.000 0.235 150 N C -0.806 174.691 175.510 -0.021 0.000 1.209 150 N CA 0.160 53.212 53.050 0.004 0.000 0.879 150 N CB 0.511 38.989 38.487 -0.016 0.000 1.136 150 N HN 0.242 nan 8.380 nan 0.000 0.517 151 D N 1.041 121.435 120.400 -0.010 0.000 2.686 151 D HA -0.171 4.469 4.640 -0.000 0.000 0.235 151 D C 0.402 176.655 176.300 -0.079 0.000 1.160 151 D CA 0.505 54.490 54.000 -0.025 0.000 0.645 151 D CB -1.034 39.761 40.800 -0.008 0.000 1.039 151 D HN 0.397 nan 8.370 nan 0.000 0.423 152 L N -0.980 120.158 121.223 -0.142 0.000 2.693 152 L HA 0.211 4.551 4.340 -0.000 0.000 0.235 152 L C 0.463 177.168 176.870 -0.275 0.000 1.127 152 L CA -0.143 54.584 54.840 -0.187 0.000 0.914 152 L CB 0.718 42.664 42.059 -0.187 0.000 1.193 152 L HN -0.064 nan 8.230 nan 0.000 0.502 153 V N -0.339 119.381 119.914 -0.323 0.000 2.439 153 V HA 0.116 4.236 4.120 -0.000 0.000 0.282 153 V C 0.321 176.276 176.094 -0.231 0.000 1.039 153 V CA -0.175 61.888 62.300 -0.395 0.000 0.913 153 V CB 1.950 33.370 31.823 -0.671 0.000 0.983 153 V HN 0.050 nan 8.190 nan 0.000 0.460 154 D N 3.162 123.387 120.400 -0.291 0.000 2.369 154 D HA 0.171 4.811 4.640 -0.000 0.000 0.231 154 D C 0.062 176.373 176.300 0.019 0.000 0.967 154 D CA 0.759 54.651 54.000 -0.180 0.000 0.905 154 D CB 0.528 41.126 40.800 -0.337 0.000 1.044 154 D HN 0.664 nan 8.370 nan 0.000 0.487 155 W N -0.953 120.304 121.300 -0.073 0.000 3.059 155 W HA 0.537 5.197 4.660 -0.000 0.000 0.329 155 W C -2.083 174.433 176.519 -0.005 0.000 1.246 155 W CA -0.926 56.412 57.345 -0.012 0.000 1.190 155 W CB 0.397 29.855 29.460 -0.003 0.000 1.423 155 W HN -0.447 nan 8.180 nan 0.000 0.571 156 V N 1.794 122.065 119.914 0.595 0.000 2.588 156 V HA 0.440 4.560 4.120 -0.000 0.000 0.304 156 V C -0.282 176.161 176.094 0.582 0.000 1.042 156 V CA -0.573 62.027 62.300 0.501 0.000 0.877 156 V CB 1.473 33.517 31.823 0.368 0.000 0.996 156 V HN 0.531 nan 8.190 nan 0.000 0.425 157 S N 3.324 119.387 115.700 0.605 0.000 2.437 157 S HA 0.838 5.308 4.470 -0.000 0.000 0.305 157 S C -0.775 174.014 174.600 0.315 0.000 1.109 157 S CA -0.382 58.065 58.200 0.412 0.000 1.099 157 S CB 1.186 64.666 63.200 0.466 0.000 1.004 157 S HN 0.530 nan 8.310 nan 0.000 0.475 158 V N 2.716 122.731 119.914 0.168 0.000 2.876 158 V HA 0.925 5.045 4.120 -0.000 0.000 0.312 158 V C -0.379 175.674 176.094 -0.068 0.000 1.085 158 V CA -0.925 61.375 62.300 0.000 0.000 0.945 158 V CB 1.833 33.652 31.823 -0.006 0.000 1.017 158 V HN 0.999 nan 8.190 nan 0.000 0.428 159 A N 1.823 124.555 122.820 -0.146 0.000 2.375 159 A HA 0.845 5.165 4.320 -0.000 0.000 0.295 159 A C -0.201 177.277 177.584 -0.178 0.000 1.066 159 A CA -0.306 51.646 52.037 -0.143 0.000 0.722 159 A CB 1.547 20.500 19.000 -0.077 0.000 1.206 159 A HN 1.052 nan 8.150 nan 0.000 0.435 160 T N -0.966 113.445 114.554 -0.238 0.000 2.918 160 T HA 0.686 5.036 4.350 -0.000 0.000 0.286 160 T C -1.006 173.523 174.700 -0.285 0.000 1.026 160 T CA -0.397 61.600 62.100 -0.171 0.000 1.031 160 T CB 0.905 69.664 68.868 -0.181 0.000 1.046 160 T HN 0.406 nan 8.240 nan 0.000 0.479 161 Y N 0.884 121.102 120.300 -0.138 0.000 2.863 161 Y HA 0.406 4.956 4.550 -0.000 0.000 0.348 161 Y C 0.592 176.413 175.900 -0.131 0.000 1.028 161 Y CA -1.068 56.987 58.100 -0.075 0.000 1.213 161 Y CB 0.461 38.939 38.460 0.030 0.000 1.120 161 Y HN 0.626 nan 8.280 nan 0.000 0.598 162 Q N 1.613 121.329 119.800 -0.141 0.000 2.293 162 Q HA 0.670 5.010 4.340 -0.000 0.000 0.251 162 Q C 0.157 176.177 176.000 0.032 0.000 0.930 162 Q CA -0.558 55.041 55.803 -0.341 0.000 0.893 162 Q CB 1.512 29.920 28.738 -0.550 0.000 1.215 162 Q HN 0.738 nan 8.270 nan 0.000 0.425 163 A N 1.376 124.395 122.820 0.332 0.000 2.280 163 A HA 0.505 4.825 4.320 -0.000 0.000 0.268 163 A C 0.766 178.535 177.584 0.307 0.000 1.111 163 A CA 0.333 52.557 52.037 0.313 0.000 0.814 163 A CB 0.221 19.396 19.000 0.292 0.000 1.093 163 A HN 0.907 nan 8.150 nan 0.000 0.498 164 A N -0.190 122.797 122.820 0.280 0.000 2.016 164 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 164 A C 2.259 179.965 177.584 0.203 0.000 1.162 164 A CA 1.745 54.005 52.037 0.371 0.000 0.662 164 A CB -1.068 18.188 19.000 0.428 0.000 0.812 164 A HN 1.633 nan 8.150 nan 0.000 0.450 165 S N -0.150 115.629 115.700 0.132 0.000 2.440 165 S HA -0.048 4.422 4.470 -0.000 0.000 0.238 165 S C 1.871 176.472 174.600 0.002 0.000 1.010 165 S CA 1.335 59.560 58.200 0.042 0.000 0.972 165 S CB -0.962 62.240 63.200 0.004 0.000 0.774 165 S HN 0.640 nan 8.310 nan 0.000 0.501 166 G N 0.846 109.687 108.800 0.068 0.000 2.471 166 G HA2 0.206 4.166 3.960 -0.000 0.000 0.219 166 G HA3 0.206 4.166 3.960 -0.000 0.000 0.219 166 G C 1.223 176.095 174.900 -0.046 0.000 1.125 166 G CA 0.524 45.667 45.100 0.072 0.000 0.775 166 G HN 0.648 nan 8.290 nan 0.000 0.548 167 G N -0.558 108.135 108.800 -0.178 0.000 2.486 167 G HA2 0.463 4.423 3.960 -0.000 0.000 0.210 167 G HA3 0.463 4.423 3.960 -0.000 0.000 0.210 167 G C 0.656 175.187 174.900 -0.616 0.000 1.168 167 G CA 0.914 45.607 45.100 -0.677 0.000 0.820 167 G HN 1.174 nan 8.290 nan 0.000 0.544 168 G N -2.271 106.347 108.800 -0.304 0.000 2.352 168 G HA2 0.499 4.459 3.960 -0.000 0.000 0.302 168 G HA3 0.499 4.459 3.960 -0.000 0.000 0.302 168 G C 0.595 175.516 174.900 0.035 0.000 1.370 168 G CA 0.163 45.214 45.100 -0.081 0.000 0.918 168 G HN 0.840 nan 8.290 nan 0.000 0.610 169 A N -0.161 122.678 122.820 0.031 0.000 1.940 169 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 169 A C 2.370 179.986 177.584 0.053 0.000 1.176 169 A CA 2.204 54.263 52.037 0.036 0.000 0.631 169 A CB -0.435 18.573 19.000 0.013 0.000 0.814 169 A HN 0.654 nan 8.150 nan 0.000 0.446 170 R N -1.296 119.241 120.500 0.062 0.000 2.083 170 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 170 R C 2.074 178.350 176.300 -0.041 0.000 1.137 170 R CA 1.836 57.941 56.100 0.009 0.000 0.951 170 R CB -0.698 29.590 30.300 -0.019 0.000 0.851 170 R HN 0.703 nan 8.270 nan 0.000 0.434 171 H N 0.634 119.595 119.070 -0.182 0.000 2.321 171 H HA -0.069 4.487 4.556 -0.000 0.000 0.300 171 H C 2.197 177.532 175.328 0.012 0.000 1.087 171 H CA 2.013 57.866 56.048 -0.325 0.000 1.319 171 H CB -0.273 29.209 29.762 -0.466 0.000 1.379 171 H HN 0.140 nan 8.280 nan 0.000 0.501 172 M N -0.449 119.264 119.600 0.188 0.000 2.175 172 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 172 M C 2.171 178.550 176.300 0.131 0.000 1.063 172 M CA 1.465 56.872 55.300 0.178 0.000 1.119 172 M CB -0.122 32.550 32.600 0.121 0.000 1.377 172 M HN 0.050 nan 8.290 nan 0.000 0.415 173 R N 0.242 120.793 120.500 0.085 0.000 2.148 173 R HA -0.105 4.235 4.340 -0.000 0.000 0.227 173 R C 2.123 178.467 176.300 0.073 0.000 1.103 173 R CA 1.101 57.239 56.100 0.063 0.000 0.983 173 R CB -0.100 30.221 30.300 0.035 0.000 0.874 173 R HN 0.474 nan 8.270 nan 0.000 0.451 174 E N 0.399 120.645 120.200 0.076 0.000 2.107 174 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 174 E C 1.808 178.512 176.600 0.174 0.000 0.982 174 E CA 0.580 57.036 56.400 0.093 0.000 0.809 174 E CB 0.096 29.810 29.700 0.023 0.000 0.756 174 E HN 0.110 nan 8.360 nan 0.000 0.459 175 L N 1.007 122.375 121.223 0.241 0.000 1.976 175 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 175 L C 2.169 179.120 176.870 0.136 0.000 1.071 175 L CA 1.705 56.671 54.840 0.211 0.000 0.746 175 L CB -0.588 41.608 42.059 0.228 0.000 0.890 175 L HN 0.220 nan 8.230 nan 0.000 0.432 176 L N -1.031 120.261 121.223 0.116 0.000 2.081 176 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 176 L C 2.366 179.287 176.870 0.085 0.000 1.080 176 L CA 1.790 56.679 54.840 0.082 0.000 0.754 176 L CB -1.109 40.988 42.059 0.062 0.000 0.893 176 L HN 0.352 nan 8.230 nan 0.000 0.433 177 T N -1.161 113.456 114.554 0.105 0.000 2.701 177 T HA -0.203 4.147 4.350 -0.000 0.000 0.263 177 T C 1.904 176.737 174.700 0.220 0.000 1.040 177 T CA 1.181 63.362 62.100 0.135 0.000 1.147 177 T CB -0.140 68.814 68.868 0.143 0.000 0.865 177 T HN 0.356 nan 8.240 nan 0.000 0.426 178 Q N 0.314 120.232 119.800 0.196 0.000 2.133 178 Q HA -0.133 4.207 4.340 -0.000 0.000 0.208 178 Q C 2.399 178.510 176.000 0.184 0.000 0.991 178 Q CA 1.509 57.425 55.803 0.187 0.000 0.867 178 Q CB -0.327 28.476 28.738 0.108 0.000 0.911 178 Q HN 0.527 nan 8.270 nan 0.000 0.417 179 M N -0.581 119.100 119.600 0.136 0.000 2.149 179 M HA -0.157 4.323 4.480 -0.000 0.000 0.261 179 M C 2.151 178.533 176.300 0.136 0.000 1.064 179 M CA 1.554 56.925 55.300 0.117 0.000 1.102 179 M CB -0.461 32.186 32.600 0.079 0.000 1.369 179 M HN 0.355 nan 8.290 nan 0.000 0.408 180 G N -1.437 107.428 108.800 0.108 0.000 2.422 180 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 180 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 180 G C 0.961 175.894 174.900 0.056 0.000 1.140 180 G CA 0.790 45.925 45.100 0.058 0.000 0.775 180 G HN 0.472 nan 8.290 nan 0.000 0.545 181 H N -0.162 118.966 119.070 0.096 0.000 2.403 181 H HA 0.200 4.756 4.556 -0.000 0.000 0.298 181 H C 2.560 177.948 175.328 0.100 0.000 1.059 181 H CA 0.708 56.801 56.048 0.075 0.000 1.363 181 H CB 0.027 29.802 29.762 0.021 0.000 1.410 181 H HN 0.196 nan 8.280 nan 0.000 0.528 182 L N -0.607 120.753 121.223 0.228 0.000 2.141 182 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 182 L C 1.972 178.961 176.870 0.197 0.000 1.094 182 L CA 1.214 56.165 54.840 0.186 0.000 0.763 182 L CB -0.353 41.794 42.059 0.147 0.000 0.908 182 L HN 0.360 nan 8.230 nan 0.000 0.437 183 Y N 0.714 121.067 120.300 0.088 0.000 2.163 183 Y HA -0.007 4.542 4.550 -0.000 0.000 0.288 183 Y C 2.474 178.411 175.900 0.061 0.000 1.112 183 Y CA 1.415 59.551 58.100 0.060 0.000 1.104 183 Y CB -0.674 37.806 38.460 0.034 0.000 1.016 183 Y HN 0.006 nan 8.280 nan 0.000 0.497 184 G N -0.714 108.214 108.800 0.214 0.000 2.513 184 G HA2 -0.440 3.520 3.960 -0.000 0.000 0.219 184 G HA3 -0.440 3.520 3.960 -0.000 0.000 0.219 184 G C 1.429 176.336 174.900 0.012 0.000 1.160 184 G CA 1.619 46.771 45.100 0.087 0.000 0.767 184 G HN 0.628 nan 8.290 nan 0.000 0.571 185 H N -0.347 118.708 119.070 -0.025 0.000 2.466 185 H HA 0.007 4.563 4.556 -0.000 0.000 0.297 185 H C 1.456 176.743 175.328 -0.068 0.000 1.113 185 H CA 1.553 57.589 56.048 -0.021 0.000 1.273 185 H CB 0.045 29.820 29.762 0.022 0.000 1.371 185 H HN 0.165 nan 8.280 nan 0.000 0.528 186 V N -0.211 119.593 119.914 -0.183 0.000 3.172 186 V HA 0.310 4.430 4.120 -0.000 0.000 0.343 186 V C 1.592 177.494 176.094 -0.321 0.000 1.429 186 V CA 0.512 62.657 62.300 -0.258 0.000 1.149 186 V CB 0.239 31.949 31.823 -0.189 0.000 1.106 186 V HN 0.559 nan 8.190 nan 0.000 0.526 187 A N 0.108 122.686 122.820 -0.404 0.000 1.933 187 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 187 A C 1.823 179.249 177.584 -0.263 0.000 1.175 187 A CA 2.284 53.991 52.037 -0.550 0.000 0.628 187 A CB -0.231 18.527 19.000 -0.403 0.000 0.814 187 A HN 0.526 nan 8.150 nan 0.000 0.444 188 D N 0.335 120.632 120.400 -0.172 0.000 2.106 188 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 188 D C 2.096 178.336 176.300 -0.100 0.000 0.988 188 D CA 1.630 55.566 54.000 -0.106 0.000 0.845 188 D CB -0.589 40.158 40.800 -0.088 0.000 0.990 188 D HN 0.641 nan 8.370 nan 0.000 0.448 189 E N 1.113 121.247 120.200 -0.111 0.000 2.114 189 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 189 E C 2.522 179.075 176.600 -0.078 0.000 1.008 189 E CA 0.746 57.093 56.400 -0.088 0.000 0.810 189 E CB -0.930 28.713 29.700 -0.095 0.000 0.739 189 E HN 0.353 nan 8.360 nan 0.000 0.456 190 L N 0.639 121.799 121.223 -0.105 0.000 2.261 190 L HA -0.148 4.192 4.340 -0.000 0.000 0.216 190 L C 2.629 179.476 176.870 -0.039 0.000 1.114 190 L CA 1.107 55.903 54.840 -0.074 0.000 0.777 190 L CB -0.427 41.567 42.059 -0.108 0.000 0.910 190 L HN 0.184 nan 8.230 nan 0.000 0.440 191 A N -0.772 122.021 122.820 -0.045 0.000 1.903 191 A HA -0.026 4.294 4.320 -0.000 0.000 0.213 191 A C 1.284 178.859 177.584 -0.015 0.000 1.185 191 A CA 0.968 52.995 52.037 -0.017 0.000 0.628 191 A CB -0.584 18.407 19.000 -0.015 0.000 0.830 191 A HN 0.380 nan 8.150 nan 0.000 0.446 192 T N -0.020 114.519 114.554 -0.025 0.000 2.738 192 T HA 0.381 4.731 4.350 -0.000 0.000 0.293 192 T C -2.004 172.686 174.700 -0.017 0.000 0.913 192 T CA -1.310 60.778 62.100 -0.019 0.000 1.103 192 T CB 1.024 69.877 68.868 -0.024 0.000 0.880 192 T HN 0.096 nan 8.240 nan 0.000 0.526 193 P HA -0.054 nan 4.420 nan 0.000 0.223 193 P C 0.897 178.191 177.300 -0.010 0.000 1.144 193 P CA 0.642 63.737 63.100 -0.008 0.000 0.783 193 P CB 0.021 31.719 31.700 -0.004 0.000 0.771 194 S N -1.290 114.403 115.700 -0.012 0.000 2.945 194 S HA 0.350 4.820 4.470 -0.000 0.000 0.227 194 S C 0.181 174.771 174.600 -0.017 0.000 1.353 194 S CA -0.574 57.618 58.200 -0.012 0.000 1.236 194 S CB -1.116 62.078 63.200 -0.011 0.000 1.069 194 S HN 0.060 nan 8.310 nan 0.000 0.509 195 S N 0.679 116.367 115.700 -0.019 0.000 2.500 195 S HA 0.805 5.275 4.470 -0.000 0.000 0.301 195 S C -0.105 174.482 174.600 -0.022 0.000 1.092 195 S CA -0.869 57.316 58.200 -0.025 0.000 1.030 195 S CB 1.453 64.632 63.200 -0.035 0.000 1.031 195 S HN 0.776 nan 8.310 nan 0.000 0.483 196 A N 2.815 125.621 122.820 -0.022 0.000 2.476 196 A HA 0.363 4.683 4.320 -0.000 0.000 0.275 196 A C 1.065 178.638 177.584 -0.019 0.000 1.133 196 A CA -0.591 51.435 52.037 -0.018 0.000 0.797 196 A CB -0.700 18.290 19.000 -0.017 0.000 1.081 196 A HN 1.038 nan 8.150 nan 0.000 0.510 197 I N 2.858 123.420 120.570 -0.014 0.000 2.236 197 I HA -0.265 3.905 4.170 -0.000 0.000 0.249 197 I C 1.902 178.013 176.117 -0.010 0.000 1.102 197 I CA 1.582 62.876 61.300 -0.011 0.000 1.365 197 I CB 0.063 38.059 38.000 -0.005 0.000 1.051 197 I HN 0.738 nan 8.210 nan 0.000 0.420 198 L N -0.453 120.765 121.223 -0.008 0.000 2.376 198 L HA -0.144 4.196 4.340 -0.000 0.000 0.219 198 L C 1.743 178.608 176.870 -0.009 0.000 1.133 198 L CA 1.084 55.921 54.840 -0.006 0.000 0.816 198 L CB -0.848 41.208 42.059 -0.005 0.000 0.933 198 L HN 0.311 nan 8.230 nan 0.000 0.449 199 D N 0.122 120.512 120.400 -0.016 0.000 2.216 199 D HA -0.064 4.576 4.640 -0.000 0.000 0.208 199 D C 2.201 178.481 176.300 -0.034 0.000 0.960 199 D CA 0.829 54.815 54.000 -0.024 0.000 0.861 199 D CB 0.336 41.118 40.800 -0.030 0.000 0.985 199 D HN 0.400 nan 8.370 nan 0.000 0.493 200 I N -0.472 120.075 120.570 -0.038 0.000 2.252 200 I HA -0.103 4.067 4.170 -0.000 0.000 0.245 200 I C 2.141 178.246 176.117 -0.020 0.000 1.102 200 I CA 1.364 62.633 61.300 -0.051 0.000 1.385 200 I CB -0.283 37.686 38.000 -0.051 0.000 1.064 200 I HN -0.179 nan 8.210 nan 0.000 0.414 201 E N 2.060 122.257 120.200 -0.005 0.000 2.150 201 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 201 E C 2.308 178.920 176.600 0.021 0.000 0.985 201 E CA 0.983 57.390 56.400 0.012 0.000 0.814 201 E CB -0.147 29.558 29.700 0.009 0.000 0.752 201 E HN 0.563 nan 8.360 nan 0.000 0.466 202 R N 0.372 120.880 120.500 0.013 0.000 2.092 202 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 202 R C 2.431 178.758 176.300 0.046 0.000 1.119 202 R CA 1.327 57.439 56.100 0.020 0.000 0.970 202 R CB 0.151 30.456 30.300 0.009 0.000 0.864 202 R HN 0.039 nan 8.270 nan 0.000 0.440 203 K N -0.117 120.310 120.400 0.046 0.000 1.973 203 K HA -0.125 4.195 4.320 -0.000 0.000 0.210 203 K C 2.077 178.833 176.600 0.260 0.000 1.045 203 K CA 1.736 58.096 56.287 0.123 0.000 0.937 203 K CB -0.420 32.022 32.500 -0.097 0.000 0.721 203 K HN 0.137 nan 8.250 nan 0.000 0.438 204 V N 0.123 120.165 119.914 0.212 0.000 2.324 204 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 204 V C 1.932 178.082 176.094 0.092 0.000 1.060 204 V CA 2.445 64.861 62.300 0.195 0.000 1.042 204 V CB -1.269 30.627 31.823 0.121 0.000 0.650 204 V HN 0.258 nan 8.190 nan 0.000 0.450 205 T N 0.264 114.857 114.554 0.066 0.000 2.759 205 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 205 T C 1.871 176.587 174.700 0.027 0.000 1.042 205 T CA 2.367 64.488 62.100 0.035 0.000 1.140 205 T CB -0.573 68.311 68.868 0.027 0.000 0.864 205 T HN 0.723 nan 8.240 nan 0.000 0.455 206 T N 1.519 116.101 114.554 0.047 0.000 2.978 206 T HA 0.137 4.487 4.350 -0.000 0.000 0.262 206 T C 1.795 176.489 174.700 -0.009 0.000 1.063 206 T CA 0.242 62.360 62.100 0.030 0.000 1.140 206 T CB -0.193 68.709 68.868 0.057 0.000 0.886 206 T HN 0.118 nan 8.240 nan 0.000 0.470 207 L N 1.473 122.672 121.223 -0.042 0.000 2.056 207 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 207 L C 2.333 179.138 176.870 -0.108 0.000 1.078 207 L CA 1.781 56.510 54.840 -0.186 0.000 0.749 207 L CB -1.187 40.620 42.059 -0.419 0.000 0.901 207 L HN 0.113 nan 8.230 nan 0.000 0.433 208 T N -0.105 114.415 114.554 -0.056 0.000 2.996 208 T HA -0.142 4.208 4.350 -0.000 0.000 0.271 208 T C 1.626 176.301 174.700 -0.042 0.000 1.126 208 T CA 1.347 63.422 62.100 -0.041 0.000 1.103 208 T CB -0.269 68.589 68.868 -0.016 0.000 0.870 208 T HN 0.425 nan 8.240 nan 0.000 0.528 209 R N 0.191 120.667 120.500 -0.040 0.000 2.476 209 R HA 0.182 4.522 4.340 -0.000 0.000 0.276 209 R C 2.492 178.768 176.300 -0.040 0.000 0.941 209 R CA 0.483 56.563 56.100 -0.034 0.000 1.088 209 R CB 0.229 30.517 30.300 -0.021 0.000 1.216 209 R HN 0.386 nan 8.270 nan 0.000 0.533 210 S N -0.225 115.442 115.700 -0.055 0.000 2.387 210 S HA 0.030 4.500 4.470 -0.000 0.000 0.226 210 S C 1.659 176.225 174.600 -0.056 0.000 1.026 210 S CA 1.105 59.272 58.200 -0.055 0.000 0.972 210 S CB 0.163 63.318 63.200 -0.075 0.000 0.814 210 S HN 0.442 nan 8.310 nan 0.000 0.477 211 G N 0.823 109.581 108.800 -0.070 0.000 2.218 211 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 211 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 211 G C 0.547 175.394 174.900 -0.089 0.000 0.994 211 G CA 0.270 45.330 45.100 -0.067 0.000 0.637 211 G HN 0.519 nan 8.290 nan 0.000 0.505 212 E N -0.403 119.732 120.200 -0.107 0.000 2.472 212 E HA 0.142 4.492 4.350 -0.000 0.000 0.200 212 E C 0.718 177.167 176.600 -0.251 0.000 1.046 212 E CA 0.050 56.370 56.400 -0.132 0.000 0.871 212 E CB 0.081 29.718 29.700 -0.106 0.000 0.806 212 E HN 0.405 nan 8.360 nan 0.000 0.533 213 L N 1.971 123.050 121.223 -0.240 0.000 2.349 213 L HA 0.155 4.495 4.340 -0.000 0.000 0.275 213 L C -2.091 174.660 176.870 -0.197 0.000 1.115 213 L CA -2.004 52.655 54.840 -0.300 0.000 0.820 213 L CB 0.535 42.487 42.059 -0.177 0.000 1.135 213 L HN -0.140 nan 8.230 nan 0.000 0.445 214 P HA 0.082 nan 4.420 nan 0.000 0.277 214 P C -0.303 176.978 177.300 -0.032 0.000 1.354 214 P CA -0.099 62.950 63.100 -0.085 0.000 0.891 214 P CB 0.510 32.181 31.700 -0.049 0.000 1.058 215 V N -0.117 119.781 119.914 -0.026 0.000 2.804 215 V HA 0.225 4.345 4.120 -0.000 0.000 0.360 215 V C 0.875 176.962 176.094 -0.013 0.000 1.282 215 V CA -0.269 62.040 62.300 0.015 0.000 1.274 215 V CB 0.062 31.898 31.823 0.022 0.000 1.415 215 V HN 0.154 nan 8.190 nan 0.000 0.610 216 D N 1.806 122.174 120.400 -0.053 0.000 2.078 216 D HA -0.149 4.491 4.640 -0.000 0.000 0.193 216 D C 1.610 177.833 176.300 -0.129 0.000 0.990 216 D CA 1.897 55.851 54.000 -0.076 0.000 0.827 216 D CB 0.164 40.916 40.800 -0.080 0.000 0.975 216 D HN 0.545 nan 8.370 nan 0.000 0.451 217 N N 0.338 118.877 118.700 -0.269 0.000 2.106 217 N HA -0.104 4.636 4.740 -0.000 0.000 0.188 217 N C 1.847 177.079 175.510 -0.463 0.000 1.029 217 N CA 0.734 53.456 53.050 -0.546 0.000 0.848 217 N CB -0.475 37.320 38.487 -1.154 0.000 1.007 217 N HN 0.146 nan 8.380 nan 0.000 0.423 218 F N 0.415 120.254 119.950 -0.186 0.000 2.512 218 F HA 0.163 4.690 4.527 -0.000 0.000 0.296 218 F C 2.168 177.961 175.800 -0.012 0.000 1.110 218 F CA 0.665 58.644 58.000 -0.036 0.000 1.446 218 F CB -0.454 38.540 39.000 -0.010 0.000 1.092 218 F HN 0.220 nan 8.300 nan 0.000 0.554 219 G N -0.162 108.712 108.800 0.123 0.000 2.640 219 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.226 219 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.226 219 G C 0.236 175.165 174.900 0.049 0.000 1.222 219 G CA 0.320 45.458 45.100 0.063 0.000 0.729 219 G HN 0.624 nan 8.290 nan 0.000 0.516 220 V N -2.434 117.527 119.914 0.077 0.000 3.040 220 V HA 0.863 4.983 4.120 -0.000 0.000 0.312 220 V C -2.642 173.467 176.094 0.026 0.000 1.115 220 V CA -2.487 59.829 62.300 0.026 0.000 0.998 220 V CB 1.799 33.620 31.823 -0.004 0.000 1.042 220 V HN 0.164 nan 8.190 nan 0.000 0.433 221 P HA 0.263 nan 4.420 nan 0.000 0.269 221 P C -0.020 177.228 177.300 -0.087 0.000 1.215 221 P CA 0.054 63.139 63.100 -0.025 0.000 0.780 221 P CB 0.898 32.581 31.700 -0.029 0.000 0.898 222 L N 2.499 123.647 121.223 -0.124 0.000 2.694 222 L HA 0.437 4.777 4.340 -0.000 0.000 0.228 222 L C 0.643 177.445 176.870 -0.113 0.000 1.048 222 L CA 0.567 55.270 54.840 -0.230 0.000 0.887 222 L CB -0.605 41.123 42.059 -0.551 0.000 1.265 222 L HN 0.294 nan 8.230 nan 0.000 0.492 223 A N 0.282 123.075 122.820 -0.044 0.000 2.515 223 A HA 0.449 4.769 4.320 -0.000 0.000 0.263 223 A C 1.297 178.885 177.584 0.007 0.000 1.096 223 A CA 0.468 52.508 52.037 0.004 0.000 0.769 223 A CB -1.248 17.780 19.000 0.047 0.000 1.040 223 A HN 1.176 nan 8.150 nan 0.000 0.505 224 G N 1.028 109.834 108.800 0.010 0.000 2.147 224 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.244 224 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.244 224 G C 0.262 175.160 174.900 -0.002 0.000 1.005 224 G CA 0.887 45.996 45.100 0.015 0.000 0.713 224 G HN 1.922 nan 8.290 nan 0.000 0.515 225 S N -1.872 113.814 115.700 -0.022 0.000 2.873 225 S HA 0.920 5.390 4.470 -0.000 0.000 0.303 225 S C -1.266 173.300 174.600 -0.057 0.000 1.222 225 S CA 0.376 58.554 58.200 -0.036 0.000 0.923 225 S CB 1.018 64.191 63.200 -0.046 0.000 1.286 225 S HN 1.842 nan 8.310 nan 0.000 0.571 226 L N -0.705 120.475 121.223 -0.071 0.000 2.838 226 L HA 0.772 5.112 4.340 -0.000 0.000 0.266 226 L C -1.730 175.088 176.870 -0.088 0.000 1.040 226 L CA -0.793 53.992 54.840 -0.091 0.000 0.906 226 L CB 1.180 43.196 42.059 -0.072 0.000 1.501 226 L HN 0.625 nan 8.230 nan 0.000 0.407 227 I N 0.820 121.338 120.570 -0.087 0.000 2.503 227 I HA 0.389 4.559 4.170 -0.000 0.000 0.282 227 I C -2.314 173.800 176.117 -0.006 0.000 1.059 227 I CA -1.196 60.083 61.300 -0.036 0.000 1.081 227 I CB 2.436 40.423 38.000 -0.022 0.000 1.210 227 I HN 0.494 nan 8.210 nan 0.000 0.450 228 P HA 0.025 nan 4.420 nan 0.000 0.225 228 P C -0.883 176.495 177.300 0.131 0.000 1.768 228 P CA 0.350 63.456 63.100 0.009 0.000 0.943 228 P CB -0.260 31.443 31.700 0.006 0.000 1.936 229 W N 2.406 123.622 121.300 -0.140 0.000 3.953 229 W HA 0.259 4.919 4.660 -0.000 0.000 0.286 229 W C -2.183 174.262 176.519 -0.124 0.000 1.256 229 W CA -0.528 56.721 57.345 -0.161 0.000 1.244 229 W CB 1.536 30.921 29.460 -0.125 0.000 1.262 229 W HN -0.240 nan 8.180 nan 0.000 0.522 230 I N 4.724 125.080 120.570 -0.357 0.000 2.410 230 I HA 0.090 4.260 4.170 -0.000 0.000 0.286 230 I C -0.036 176.013 176.117 -0.114 0.000 1.009 230 I CA -0.551 60.661 61.300 -0.148 0.000 1.111 230 I CB 1.441 39.318 38.000 -0.205 0.000 1.262 230 I HN 0.238 nan 8.210 nan 0.000 0.443 231 D N 7.607 128.099 120.400 0.154 0.000 2.422 231 D HA 0.097 4.737 4.640 -0.000 0.000 0.263 231 D C 0.350 176.743 176.300 0.156 0.000 1.334 231 D CA 0.618 54.748 54.000 0.216 0.000 1.105 231 D CB 0.612 41.547 40.800 0.226 0.000 1.107 231 D HN 0.278 nan 8.370 nan 0.000 0.522 242 E N -0.061 119.995 120.200 -0.240 0.000 2.451 242 E HA 0.093 4.443 4.350 -0.000 0.000 0.194 242 E C 0.437 177.005 176.600 -0.053 0.000 1.027 242 E CA -0.162 56.159 56.400 -0.132 0.000 0.914 242 E CB -0.131 29.476 29.700 -0.156 0.000 1.054 242 E HN 0.418 nan 8.360 nan 0.000 0.461 243 W N 1.422 122.690 121.300 -0.054 0.000 2.318 243 W HA -0.231 4.429 4.660 -0.000 0.000 0.313 243 W C 2.213 178.692 176.519 -0.066 0.000 1.221 243 W CA 0.717 58.012 57.345 -0.084 0.000 1.266 243 W CB 0.150 29.533 29.460 -0.128 0.000 1.150 243 W HN -0.014 nan 8.180 nan 0.000 0.496 244 K N -0.543 119.986 120.400 0.214 0.000 2.305 244 K HA 0.117 4.437 4.320 -0.000 0.000 0.199 244 K C 1.023 177.682 176.600 0.098 0.000 1.047 244 K CA 1.085 57.448 56.287 0.126 0.000 0.976 244 K CB -0.029 32.538 32.500 0.111 0.000 0.765 244 K HN 0.075 nan 8.250 nan 0.000 0.474 245 G N 0.717 109.563 108.800 0.077 0.000 2.237 245 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.153 245 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.153 245 G C 0.507 175.424 174.900 0.027 0.000 1.039 245 G CA 0.323 45.450 45.100 0.044 0.000 0.719 245 G HN 0.320 nan 8.290 nan 0.000 0.491 246 Q N -0.182 119.635 119.800 0.028 0.000 2.050 246 Q HA 0.082 4.422 4.340 -0.000 0.000 0.202 246 Q C 2.892 178.895 176.000 0.004 0.000 0.980 246 Q CA 2.545 58.364 55.803 0.026 0.000 0.840 246 Q CB -0.204 28.551 28.738 0.028 0.000 0.898 246 Q HN 1.075 nan 8.270 nan 0.000 0.424 247 A N 1.092 123.906 122.820 -0.009 0.000 1.851 247 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 247 A C 1.846 179.419 177.584 -0.018 0.000 1.195 247 A CA 1.834 53.861 52.037 -0.017 0.000 0.622 247 A CB -0.783 18.200 19.000 -0.028 0.000 0.831 247 A HN 0.556 nan 8.150 nan 0.000 0.444 248 E N -0.811 119.379 120.200 -0.018 0.000 2.085 248 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 248 E C 2.116 178.691 176.600 -0.041 0.000 0.994 248 E CA 1.686 58.074 56.400 -0.020 0.000 0.801 248 E CB -0.531 29.164 29.700 -0.009 0.000 0.743 248 E HN 0.626 nan 8.360 nan 0.000 0.453 249 T N 1.523 116.045 114.554 -0.053 0.000 2.684 249 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 249 T C 1.654 176.287 174.700 -0.111 0.000 1.036 249 T CA 1.154 63.185 62.100 -0.115 0.000 1.148 249 T CB -0.224 68.574 68.868 -0.115 0.000 0.863 249 T HN 0.151 nan 8.240 nan 0.000 0.436 250 N N 0.684 119.353 118.700 -0.053 0.000 2.244 250 N HA -0.059 4.681 4.740 -0.000 0.000 0.183 250 N C 1.918 177.413 175.510 -0.025 0.000 1.016 250 N CA 0.891 53.925 53.050 -0.028 0.000 0.866 250 N CB -0.104 38.384 38.487 0.000 0.000 0.980 250 N HN 0.451 nan 8.380 nan 0.000 0.430 251 K N 1.308 121.693 120.400 -0.025 0.000 2.062 251 K HA 0.056 4.376 4.320 -0.000 0.000 0.205 251 K C 2.059 178.650 176.600 -0.015 0.000 1.051 251 K CA 0.599 56.877 56.287 -0.015 0.000 0.941 251 K CB -0.026 32.467 32.500 -0.013 0.000 0.719 251 K HN 0.001 nan 8.250 nan 0.000 0.440 252 I N 1.194 121.745 120.570 -0.032 0.000 2.264 252 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 252 I C 1.745 177.840 176.117 -0.036 0.000 1.111 252 I CA 1.208 62.489 61.300 -0.032 0.000 1.382 252 I CB -0.089 37.873 38.000 -0.063 0.000 1.060 252 I HN 0.206 nan 8.210 nan 0.000 0.418 253 L N -0.029 121.159 121.223 -0.058 0.000 2.592 253 L HA 0.082 4.422 4.340 -0.000 0.000 0.227 253 L C 0.584 177.453 176.870 -0.003 0.000 1.127 253 L CA -0.060 54.757 54.840 -0.040 0.000 0.884 253 L CB -0.502 41.514 42.059 -0.073 0.000 1.065 253 L HN 0.310 nan 8.230 nan 0.000 0.457 254 N N 1.766 120.465 118.700 -0.002 0.000 2.686 254 N HA -0.158 4.582 4.740 -0.000 0.000 0.261 254 N C 0.247 175.767 175.510 0.016 0.000 1.001 254 N CA 0.915 53.970 53.050 0.009 0.000 0.764 254 N CB -0.728 37.769 38.487 0.016 0.000 0.898 254 N HN 0.517 nan 8.380 nan 0.000 0.544 255 T N -3.129 111.435 114.554 0.016 0.000 2.813 255 T HA 0.356 4.706 4.350 -0.000 0.000 0.297 255 T C 1.585 176.300 174.700 0.025 0.000 1.036 255 T CA 0.065 62.182 62.100 0.028 0.000 1.044 255 T CB 1.034 69.925 68.868 0.039 0.000 0.993 255 T HN 0.282 nan 8.240 nan 0.000 0.535 256 S N 0.459 116.176 115.700 0.027 0.000 2.439 256 S HA 0.196 4.666 4.470 -0.000 0.000 0.224 256 S C 0.633 175.247 174.600 0.023 0.000 1.029 256 S CA -0.400 57.813 58.200 0.022 0.000 0.946 256 S CB -0.027 63.185 63.200 0.021 0.000 0.797 256 S HN 0.759 nan 8.310 nan 0.000 0.504 257 S N 1.025 116.742 115.700 0.029 0.000 2.548 257 S HA 0.561 5.031 4.470 -0.000 0.000 0.286 257 S C -0.619 174.005 174.600 0.041 0.000 1.098 257 S CA -0.851 57.368 58.200 0.032 0.000 0.930 257 S CB 2.023 65.242 63.200 0.032 0.000 1.070 257 S HN 0.125 nan 8.310 nan 0.000 0.480 258 V N 2.901 122.839 119.914 0.039 0.000 2.493 258 V HA 0.055 4.175 4.120 -0.000 0.000 0.292 258 V C -0.064 176.074 176.094 0.073 0.000 1.016 258 V CA 0.424 62.752 62.300 0.047 0.000 1.097 258 V CB -0.469 31.375 31.823 0.035 0.000 0.947 258 V HN 0.694 nan 8.190 nan 0.000 0.479 259 I N 8.511 129.138 120.570 0.095 0.000 2.291 259 I HA 0.275 4.445 4.170 -0.000 0.000 0.290 259 I C -2.133 174.080 176.117 0.160 0.000 1.050 259 I CA -1.961 59.425 61.300 0.144 0.000 1.245 259 I CB 1.468 39.583 38.000 0.192 0.000 1.405 259 I HN 0.435 nan 8.210 nan 0.000 0.478 260 P HA 0.005 nan 4.420 nan 0.000 0.262 260 P C -0.763 176.662 177.300 0.209 0.000 1.182 260 P CA 0.156 63.348 63.100 0.152 0.000 0.761 260 P CB 0.547 32.315 31.700 0.113 0.000 0.795 261 V N 4.284 124.289 119.914 0.152 0.000 2.445 261 V HA 0.367 4.487 4.120 -0.000 0.000 0.283 261 V C -0.363 175.809 176.094 0.130 0.000 1.014 261 V CA -0.160 62.249 62.300 0.181 0.000 0.852 261 V CB 1.548 33.466 31.823 0.159 0.000 1.021 261 V HN 0.478 nan 8.190 nan 0.000 0.435 262 D N 1.865 122.340 120.400 0.126 0.000 2.592 262 D HA 0.907 5.547 4.640 -0.000 0.000 0.263 262 D C 0.260 176.605 176.300 0.076 0.000 1.132 262 D CA 0.784 54.831 54.000 0.078 0.000 0.996 262 D CB 2.807 43.620 40.800 0.021 0.000 1.442 262 D HN 0.720 nan 8.370 nan 0.000 0.486 263 G N -0.688 108.134 108.800 0.037 0.000 2.491 263 G HA2 0.303 4.263 3.960 -0.000 0.000 0.183 263 G HA3 0.303 4.263 3.960 -0.000 0.000 0.183 263 G C -1.926 172.950 174.900 -0.040 0.000 1.221 263 G CA -0.535 44.571 45.100 0.009 0.000 0.996 263 G HN 0.470 nan 8.290 nan 0.000 0.474 264 L N -0.115 121.062 121.223 -0.078 0.000 2.464 264 L HA 0.586 4.926 4.340 -0.000 0.000 0.266 264 L C -0.701 176.064 176.870 -0.176 0.000 0.965 264 L CA -0.815 53.941 54.840 -0.139 0.000 0.833 264 L CB 2.406 44.389 42.059 -0.126 0.000 1.296 264 L HN 0.668 nan 8.230 nan 0.000 0.405 265 C N 2.822 121.987 119.300 -0.224 0.000 2.295 265 C HA 0.774 5.234 4.460 -0.000 0.000 0.331 265 C C 0.243 175.094 174.990 -0.231 0.000 1.280 265 C CA -0.758 58.124 59.018 -0.226 0.000 1.746 265 C CB 0.964 28.571 27.740 -0.221 0.000 2.328 265 C HN 0.475 nan 8.230 nan 0.000 0.521 266 V N 3.392 123.166 119.914 -0.233 0.000 2.735 266 V HA 0.537 4.657 4.120 -0.000 0.000 0.310 266 V C -0.138 175.855 176.094 -0.169 0.000 1.061 266 V CA -0.764 61.413 62.300 -0.204 0.000 0.913 266 V CB 1.885 33.549 31.823 -0.265 0.000 1.005 266 V HN 0.825 nan 8.190 nan 0.000 0.428 267 R N 2.687 123.119 120.500 -0.113 0.000 2.221 267 R HA 0.677 5.017 4.340 -0.000 0.000 0.327 267 R C -0.600 175.640 176.300 -0.102 0.000 1.033 267 R CA -0.248 55.800 56.100 -0.087 0.000 0.887 267 R CB 1.241 31.507 30.300 -0.058 0.000 1.057 267 R HN 0.761 nan 8.270 nan 0.000 0.455 268 V N 1.225 121.110 119.914 -0.049 0.000 3.103 268 V HA 0.698 4.818 4.120 -0.000 0.000 0.318 268 V C 0.588 176.678 176.094 -0.007 0.000 1.114 268 V CA -0.752 61.540 62.300 -0.014 0.000 1.020 268 V CB 1.843 33.719 31.823 0.087 0.000 1.085 268 V HN 0.782 nan 8.190 nan 0.000 0.446 269 G N 0.813 109.614 108.800 0.002 0.000 3.180 269 G HA2 0.546 4.506 3.960 -0.000 0.000 0.252 269 G HA3 0.546 4.506 3.960 -0.000 0.000 0.252 269 G C 0.123 175.062 174.900 0.066 0.000 0.871 269 G CA 0.478 45.589 45.100 0.017 0.000 1.979 269 G HN 1.456 nan 8.290 nan 0.000 0.624 270 A N 0.450 123.326 122.820 0.094 0.000 2.354 270 A HA 0.772 5.092 4.320 -0.000 0.000 0.321 270 A C 0.872 178.534 177.584 0.129 0.000 1.125 270 A CA -0.722 51.383 52.037 0.112 0.000 0.799 270 A CB 1.287 20.368 19.000 0.134 0.000 1.293 270 A HN 0.257 nan 8.150 nan 0.000 0.452 271 L N -0.610 120.680 121.223 0.111 0.000 2.130 271 L HA 0.145 4.485 4.340 -0.000 0.000 0.200 271 L C 2.453 179.381 176.870 0.097 0.000 1.075 271 L CA 1.014 55.919 54.840 0.107 0.000 0.768 271 L CB -0.075 42.031 42.059 0.078 0.000 0.933 271 L HN 0.872 nan 8.230 nan 0.000 0.451 272 R N -2.504 118.042 120.500 0.077 0.000 2.470 272 R HA 0.201 4.541 4.340 -0.000 0.000 0.210 272 R C 0.400 176.719 176.300 0.031 0.000 0.873 272 R CA -0.258 55.864 56.100 0.038 0.000 1.015 272 R CB 0.633 30.942 30.300 0.014 0.000 1.348 272 R HN 0.212 nan 8.270 nan 0.000 0.650 273 C N 1.952 121.303 119.300 0.084 0.000 2.601 273 C HA 0.266 4.726 4.460 -0.000 0.000 0.409 273 C C -0.084 175.052 174.990 0.243 0.000 1.293 273 C CA -0.268 58.816 59.018 0.111 0.000 2.101 273 C CB -0.137 27.666 27.740 0.105 0.000 2.639 273 C HN 0.312 nan 8.230 nan 0.000 0.592 274 H N 1.169 120.272 119.070 0.055 0.000 2.511 274 H HA 0.444 5.000 4.556 -0.000 0.000 0.328 274 H C -0.182 175.152 175.328 0.011 0.000 1.044 274 H CA 0.072 56.151 56.048 0.051 0.000 1.212 274 H CB 1.256 31.045 29.762 0.046 0.000 1.428 274 H HN 0.623 nan 8.280 nan 0.000 0.483 275 S N 3.343 119.091 115.700 0.080 0.000 2.549 275 S HA 0.574 5.044 4.470 -0.000 0.000 0.297 275 S C -0.431 174.041 174.600 -0.215 0.000 1.115 275 S CA -0.938 57.167 58.200 -0.158 0.000 1.059 275 S CB 1.747 64.849 63.200 -0.162 0.000 1.046 275 S HN 0.539 nan 8.310 nan 0.000 0.506 276 Q N 0.574 120.025 119.800 -0.581 0.000 2.359 276 Q HA 0.677 5.017 4.340 -0.000 0.000 0.274 276 Q C -1.402 174.118 176.000 -0.801 0.000 1.074 276 Q CA -0.842 54.630 55.803 -0.552 0.000 0.810 276 Q CB 2.343 30.738 28.738 -0.572 0.000 1.342 276 Q HN 0.739 nan 8.270 nan 0.000 0.427 277 A N 2.503 125.077 122.820 -0.411 0.000 2.287 277 A HA 0.792 5.112 4.320 -0.000 0.000 0.317 277 A C -1.289 176.118 177.584 -0.295 0.000 1.220 277 A CA -0.316 51.696 52.037 -0.043 0.000 0.835 277 A CB 0.224 19.446 19.000 0.370 0.000 1.180 277 A HN 0.563 nan 8.150 nan 0.000 0.500 278 F N 0.376 120.420 119.950 0.156 0.000 2.556 278 F HA 0.679 5.206 4.527 -0.000 0.000 0.327 278 F C 0.746 176.629 175.800 0.139 0.000 1.059 278 F CA -0.468 57.612 58.000 0.133 0.000 0.953 278 F CB 2.684 41.736 39.000 0.087 0.000 1.227 278 F HN 0.342 nan 8.300 nan 0.000 0.478 279 T N 2.790 117.567 114.554 0.371 0.000 3.135 279 T HA 0.454 4.804 4.350 -0.000 0.000 0.357 279 T C -0.652 174.134 174.700 0.144 0.000 1.112 279 T CA -0.292 61.972 62.100 0.273 0.000 1.290 279 T CB -0.095 68.981 68.868 0.346 0.000 1.018 279 T HN 0.234 nan 8.240 nan 0.000 0.527 280 I N 2.734 123.280 120.570 -0.041 0.000 2.352 280 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 280 I C 0.491 176.219 176.117 -0.647 0.000 1.036 280 I CA -0.662 60.450 61.300 -0.313 0.000 1.336 280 I CB 0.915 38.744 38.000 -0.284 0.000 1.407 280 I HN 0.150 nan 8.210 nan 0.000 0.497 281 K N 7.694 127.368 120.400 -1.211 0.000 2.219 281 K HA 0.326 4.646 4.320 -0.000 0.000 0.280 281 K C -0.544 175.527 176.600 -0.881 0.000 1.104 281 K CA -0.061 55.350 56.287 -1.460 0.000 0.925 281 K CB -0.115 30.945 32.500 -2.399 0.000 1.261 281 K HN 0.530 nan 8.250 nan 0.000 0.445 282 L N 3.964 124.822 121.223 -0.608 0.000 2.499 282 L HA -0.003 4.337 4.340 -0.000 0.000 0.281 282 L C 1.445 178.108 176.870 -0.344 0.000 1.234 282 L CA 0.314 54.914 54.840 -0.401 0.000 0.839 282 L CB 0.523 42.417 42.059 -0.274 0.000 1.104 282 L HN 0.719 nan 8.230 nan 0.000 0.500 283 K N 1.588 121.836 120.400 -0.254 0.000 2.432 283 K HA -0.030 4.290 4.320 -0.000 0.000 0.196 283 K C -0.087 176.435 176.600 -0.130 0.000 1.038 283 K CA 0.728 56.908 56.287 -0.179 0.000 0.986 283 K CB 0.206 32.624 32.500 -0.136 0.000 0.782 283 K HN 0.549 nan 8.250 nan 0.000 0.485 284 K N -0.362 119.961 120.400 -0.129 0.000 2.610 284 K HA 0.111 4.431 4.320 -0.000 0.000 0.278 284 K C -1.615 174.938 176.600 -0.078 0.000 0.964 284 K CA -0.893 55.343 56.287 -0.086 0.000 0.859 284 K CB 0.911 33.373 32.500 -0.064 0.000 1.434 284 K HN -0.308 nan 8.250 nan 0.000 0.410 285 D N 1.930 122.301 120.400 -0.049 0.000 2.520 285 D HA 0.114 4.754 4.640 -0.000 0.000 0.243 285 D C -1.023 175.254 176.300 -0.039 0.000 1.160 285 D CA 0.433 54.412 54.000 -0.035 0.000 0.877 285 D CB 0.693 41.484 40.800 -0.015 0.000 1.150 285 D HN 0.367 nan 8.370 nan 0.000 0.494 286 V N 3.484 123.372 119.914 -0.043 0.000 2.623 286 V HA 0.148 4.268 4.120 -0.000 0.000 0.304 286 V C 0.292 176.367 176.094 -0.033 0.000 1.054 286 V CA -1.076 61.199 62.300 -0.043 0.000 0.882 286 V CB 1.757 33.544 31.823 -0.061 0.000 1.002 286 V HN 0.690 nan 8.190 nan 0.000 0.424 287 S N 4.228 119.913 115.700 -0.025 0.000 2.554 287 S HA 0.082 4.552 4.470 -0.000 0.000 0.290 287 S C 1.035 175.623 174.600 -0.020 0.000 1.309 287 S CA 0.147 58.336 58.200 -0.018 0.000 1.047 287 S CB 0.354 63.545 63.200 -0.015 0.000 0.828 287 S HN 0.506 nan 8.310 nan 0.000 0.509 288 I N 4.712 125.273 120.570 -0.014 0.000 2.252 288 I HA 0.082 4.252 4.170 -0.000 0.000 0.245 288 I C -0.936 175.174 176.117 -0.013 0.000 1.102 288 I CA 0.562 61.855 61.300 -0.013 0.000 1.385 288 I CB -1.107 36.890 38.000 -0.004 0.000 1.064 288 I HN 0.610 nan 8.210 nan 0.000 0.414 289 P HA -0.115 nan 4.420 nan 0.000 0.219 289 P C 1.608 178.900 177.300 -0.013 0.000 1.146 289 P CA 1.445 64.539 63.100 -0.009 0.000 0.808 289 P CB -0.143 31.553 31.700 -0.008 0.000 0.779 290 T N -0.910 113.633 114.554 -0.017 0.000 2.668 290 T HA -0.073 4.277 4.350 -0.000 0.000 0.258 290 T C 1.864 176.548 174.700 -0.026 0.000 1.051 290 T CA 1.001 63.088 62.100 -0.021 0.000 1.155 290 T CB -1.061 67.792 68.868 -0.025 0.000 0.864 290 T HN -0.171 nan 8.240 nan 0.000 0.413 291 V N 1.984 121.878 119.914 -0.034 0.000 2.313 291 V HA -0.279 3.841 4.120 -0.000 0.000 0.253 291 V C 2.513 178.588 176.094 -0.033 0.000 1.070 291 V CA 1.967 64.240 62.300 -0.044 0.000 1.057 291 V CB -0.627 31.164 31.823 -0.052 0.000 0.653 291 V HN 0.590 nan 8.190 nan 0.000 0.450 292 E N -0.554 119.634 120.200 -0.021 0.000 2.051 292 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 292 E C 2.160 178.754 176.600 -0.010 0.000 0.991 292 E CA 1.494 57.886 56.400 -0.012 0.000 0.799 292 E CB -0.248 29.448 29.700 -0.006 0.000 0.748 292 E HN 0.716 nan 8.360 nan 0.000 0.449 293 E N 1.015 121.208 120.200 -0.011 0.000 2.049 293 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 293 E C 2.281 178.879 176.600 -0.005 0.000 1.007 293 E CA 1.270 57.664 56.400 -0.009 0.000 0.809 293 E CB -0.300 29.393 29.700 -0.011 0.000 0.749 293 E HN 0.225 nan 8.360 nan 0.000 0.450 294 L N 0.549 121.768 121.223 -0.007 0.000 2.083 294 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 294 L C 2.496 179.379 176.870 0.021 0.000 1.083 294 L CA 0.831 55.673 54.840 0.004 0.000 0.752 294 L CB -0.455 41.597 42.059 -0.012 0.000 0.899 294 L HN 0.120 nan 8.230 nan 0.000 0.433 295 L N -0.210 121.013 121.223 0.000 0.000 2.056 295 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 295 L C 2.872 179.760 176.870 0.030 0.000 1.078 295 L CA 1.266 56.107 54.840 0.001 0.000 0.749 295 L CB -0.699 41.348 42.059 -0.021 0.000 0.901 295 L HN 0.235 nan 8.230 nan 0.000 0.433 296 A N -0.281 122.550 122.820 0.018 0.000 1.929 296 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 296 A C 2.482 180.074 177.584 0.013 0.000 1.176 296 A CA 1.414 53.458 52.037 0.012 0.000 0.628 296 A CB -0.638 18.360 19.000 -0.003 0.000 0.816 296 A HN 0.373 nan 8.150 nan 0.000 0.444 297 A N -1.367 121.465 122.820 0.019 0.000 1.969 297 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 297 A C 2.045 179.640 177.584 0.018 0.000 1.169 297 A CA 1.526 53.566 52.037 0.004 0.000 0.635 297 A CB -0.910 18.090 19.000 -0.001 0.000 0.810 297 A HN 0.713 nan 8.150 nan 0.000 0.445 298 H N 0.990 120.048 119.070 -0.019 0.000 2.319 298 H HA -0.141 4.415 4.556 -0.000 0.000 0.297 298 H C 0.055 175.386 175.328 0.005 0.000 1.097 298 H CA 1.846 57.891 56.048 -0.005 0.000 1.285 298 H CB 0.009 29.771 29.762 0.001 0.000 1.368 298 H HN 0.745 nan 8.280 nan 0.000 0.495 299 N N -2.172 116.613 118.700 0.141 0.000 2.745 299 N HA 0.121 4.861 4.740 -0.000 0.000 0.256 299 N C -2.632 172.842 175.510 -0.060 0.000 1.268 299 N CA -1.145 51.958 53.050 0.088 0.000 0.887 299 N CB 1.439 40.146 38.487 0.366 0.000 1.575 299 N HN -0.252 nan 8.380 nan 0.000 0.496 300 P HA -0.007 nan 4.420 nan 0.000 0.239 300 P C -0.201 176.793 177.300 -0.511 0.000 1.184 300 P CA 0.786 63.569 63.100 -0.527 0.000 0.760 300 P CB -0.015 31.221 31.700 -0.773 0.000 0.884 301 W N -0.336 120.967 121.300 0.006 0.000 2.993 301 W HA 0.396 5.056 4.660 -0.000 0.000 0.290 301 W C 0.688 177.189 176.519 -0.029 0.000 1.203 301 W CA -0.199 57.149 57.345 0.006 0.000 1.582 301 W CB -0.113 29.318 29.460 -0.049 0.000 1.033 301 W HN -0.073 nan 8.180 nan 0.000 0.594 302 A N 2.242 125.145 122.820 0.138 0.000 3.004 302 A HA 0.183 4.502 4.320 -0.000 0.000 0.286 302 A C 0.312 177.925 177.584 0.047 0.000 1.632 302 A CA -0.037 52.042 52.037 0.071 0.000 1.339 302 A CB -0.687 18.339 19.000 0.043 0.000 1.136 302 A HN 0.065 nan 8.150 nan 0.000 0.577 303 K N 2.134 122.570 120.400 0.059 0.000 2.378 303 K HA 0.306 4.626 4.320 -0.000 0.000 0.288 303 K C -0.739 175.885 176.600 0.040 0.000 1.057 303 K CA -0.160 56.152 56.287 0.041 0.000 0.971 303 K CB 0.427 32.960 32.500 0.054 0.000 0.975 303 K HN 0.283 nan 8.250 nan 0.000 0.475 304 V N 5.941 125.871 119.914 0.027 0.000 2.432 304 V HA 0.086 4.206 4.120 -0.000 0.000 0.271 304 V C -0.246 175.867 176.094 0.032 0.000 1.046 304 V CA -0.587 61.730 62.300 0.028 0.000 0.945 304 V CB 1.321 33.153 31.823 0.016 0.000 0.992 304 V HN 0.495 nan 8.190 nan 0.000 0.471 305 V N 8.639 128.580 119.914 0.044 0.000 2.370 305 V HA 0.327 4.447 4.120 -0.000 0.000 0.279 305 V C -2.039 174.077 176.094 0.037 0.000 1.029 305 V CA -1.928 60.398 62.300 0.043 0.000 0.870 305 V CB 1.272 33.130 31.823 0.059 0.000 0.984 305 V HN 0.737 nan 8.190 nan 0.000 0.451 306 P HA 0.046 nan 4.420 nan 0.000 0.269 306 P C 0.165 177.478 177.300 0.021 0.000 1.217 306 P CA -0.061 63.051 63.100 0.020 0.000 0.783 306 P CB 0.368 32.076 31.700 0.013 0.000 0.898 307 N N 1.201 119.913 118.700 0.018 0.000 2.906 307 N HA -0.008 4.732 4.740 -0.000 0.000 0.282 307 N C -0.824 174.691 175.510 0.007 0.000 1.293 307 N CA -0.165 52.895 53.050 0.016 0.000 1.059 307 N CB -0.279 38.218 38.487 0.017 0.000 1.388 307 N HN 0.317 nan 8.380 nan 0.000 0.533 308 D N 0.222 120.626 120.400 0.006 0.000 2.248 308 D HA 0.087 4.727 4.640 -0.000 0.000 0.246 308 D C 0.997 177.295 176.300 -0.003 0.000 1.027 308 D CA -0.508 53.492 54.000 0.002 0.000 0.853 308 D CB 1.743 42.545 40.800 0.003 0.000 1.243 308 D HN 0.113 nan 8.370 nan 0.000 0.462 309 R N 1.403 121.899 120.500 -0.007 0.000 2.122 309 R HA -0.237 4.103 4.340 -0.000 0.000 0.236 309 R C 1.003 177.298 176.300 -0.009 0.000 1.129 309 R CA 1.908 58.001 56.100 -0.012 0.000 0.925 309 R CB 0.046 30.339 30.300 -0.012 0.000 0.850 309 R HN 0.373 nan 8.270 nan 0.000 0.431 310 E N 0.672 120.870 120.200 -0.004 0.000 2.021 310 E HA -0.234 4.116 4.350 -0.000 0.000 0.200 310 E C 1.936 178.538 176.600 0.003 0.000 1.015 310 E CA 1.808 58.208 56.400 -0.001 0.000 0.824 310 E CB -0.483 29.218 29.700 0.001 0.000 0.762 310 E HN 0.429 nan 8.360 nan 0.000 0.454 311 I N 0.588 121.162 120.570 0.006 0.000 2.208 311 I HA -0.330 3.840 4.170 -0.000 0.000 0.245 311 I C 1.877 178.003 176.117 0.015 0.000 1.097 311 I CA 1.593 62.900 61.300 0.012 0.000 1.363 311 I CB -0.239 37.769 38.000 0.014 0.000 1.051 311 I HN 0.132 nan 8.210 nan 0.000 0.413 312 T N 0.888 115.448 114.554 0.010 0.000 2.665 312 T HA -0.274 4.076 4.350 -0.000 0.000 0.268 312 T C 1.809 176.510 174.700 0.001 0.000 1.035 312 T CA 2.219 64.323 62.100 0.007 0.000 1.151 312 T CB -0.280 68.579 68.868 -0.014 0.000 0.862 312 T HN 0.365 nan 8.240 nan 0.000 0.438 313 M N -0.045 119.550 119.600 -0.008 0.000 2.296 313 M HA 0.025 4.505 4.480 -0.000 0.000 0.265 313 M C 2.495 178.799 176.300 0.007 0.000 1.064 313 M CA 1.160 56.454 55.300 -0.009 0.000 1.109 313 M CB -0.212 32.381 32.600 -0.012 0.000 1.396 313 M HN 0.067 nan 8.290 nan 0.000 0.430 314 R N 0.143 120.650 120.500 0.013 0.000 2.127 314 R HA -0.043 4.297 4.340 -0.000 0.000 0.217 314 R C 1.295 177.613 176.300 0.030 0.000 1.074 314 R CA 1.093 57.205 56.100 0.020 0.000 0.991 314 R CB 0.368 30.678 30.300 0.017 0.000 0.895 314 R HN 0.372 nan 8.270 nan 0.000 0.450 315 E N -1.079 119.144 120.200 0.037 0.000 2.441 315 E HA 0.030 4.380 4.350 -0.000 0.000 0.212 315 E C -0.239 176.404 176.600 0.071 0.000 0.840 315 E CA -0.114 56.316 56.400 0.051 0.000 1.143 315 E CB 0.550 30.279 29.700 0.049 0.000 1.153 315 E HN -0.015 nan 8.360 nan 0.000 0.539 316 L N 2.360 123.630 121.223 0.078 0.000 2.998 316 L HA 0.187 4.527 4.340 -0.000 0.000 0.234 316 L C -0.448 176.506 176.870 0.141 0.000 1.350 316 L CA 0.446 55.363 54.840 0.128 0.000 1.202 316 L CB -0.299 41.853 42.059 0.154 0.000 1.583 316 L HN -0.010 nan 8.230 nan 0.000 0.456 317 T N -4.213 110.405 114.554 0.106 0.000 2.916 317 T HA 0.467 4.817 4.350 -0.000 0.000 0.305 317 T C -2.170 172.584 174.700 0.090 0.000 1.119 317 T CA -1.714 60.444 62.100 0.096 0.000 1.008 317 T CB 1.746 70.646 68.868 0.054 0.000 1.129 317 T HN -0.215 nan 8.240 nan 0.000 0.480 318 P HA -0.163 nan 4.420 nan 0.000 0.216 318 P C 1.815 179.157 177.300 0.070 0.000 1.157 318 P CA 2.097 65.248 63.100 0.086 0.000 0.880 318 P CB -0.287 31.467 31.700 0.091 0.000 0.791 319 A N -0.465 122.391 122.820 0.060 0.000 1.997 319 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 319 A C 2.281 179.893 177.584 0.047 0.000 1.172 319 A CA 2.419 54.484 52.037 0.048 0.000 0.645 319 A CB -1.527 17.497 19.000 0.039 0.000 0.813 319 A HN 0.261 nan 8.150 nan 0.000 0.454 320 A N -1.382 121.470 122.820 0.054 0.000 1.935 320 A HA 0.245 4.565 4.320 -0.000 0.000 0.214 320 A C 2.124 179.746 177.584 0.063 0.000 1.178 320 A CA 1.351 53.420 52.037 0.054 0.000 0.640 320 A CB -0.372 18.662 19.000 0.056 0.000 0.825 320 A HN 0.342 nan 8.150 nan 0.000 0.447 321 V N 0.085 120.043 119.914 0.073 0.000 2.500 321 V HA -0.059 4.061 4.120 -0.000 0.000 0.243 321 V C 1.087 177.223 176.094 0.071 0.000 1.039 321 V CA 1.199 63.548 62.300 0.082 0.000 1.053 321 V CB -0.904 30.976 31.823 0.095 0.000 0.695 321 V HN 0.454 nan 8.190 nan 0.000 0.463 322 T N 1.599 116.190 114.554 0.061 0.000 2.658 322 T HA 0.201 4.551 4.350 -0.000 0.000 0.252 322 T C 1.259 175.980 174.700 0.035 0.000 1.021 322 T CA 1.379 63.507 62.100 0.046 0.000 1.169 322 T CB -0.192 68.702 68.868 0.043 0.000 1.015 322 T HN 0.925 nan 8.240 nan 0.000 0.489 323 G N 2.812 111.625 108.800 0.020 0.000 2.179 323 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 323 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 323 G C 0.356 175.263 174.900 0.012 0.000 0.977 323 G CA 0.535 45.639 45.100 0.005 0.000 0.641 323 G HN 1.242 nan 8.290 nan 0.000 0.533 324 T N -2.027 112.552 114.554 0.041 0.000 2.949 324 T HA 0.723 5.073 4.350 -0.000 0.000 0.287 324 T C 1.089 175.851 174.700 0.104 0.000 1.034 324 T CA -0.549 61.594 62.100 0.072 0.000 1.018 324 T CB 1.842 70.771 68.868 0.101 0.000 1.135 324 T HN 0.329 nan 8.240 nan 0.000 0.532 325 L N 0.926 122.252 121.223 0.172 0.000 2.629 325 L HA 0.225 4.565 4.340 -0.000 0.000 0.230 325 L C 0.623 177.851 176.870 0.597 0.000 1.151 325 L CA -0.238 54.775 54.840 0.288 0.000 0.924 325 L CB -0.319 41.893 42.059 0.254 0.000 1.137 325 L HN 0.770 nan 8.230 nan 0.000 0.457 326 T N -0.160 114.631 114.554 0.396 0.000 2.869 326 T HA 0.278 4.628 4.350 -0.000 0.000 0.295 326 T C 0.683 175.540 174.700 0.262 0.000 0.987 326 T CA -0.341 61.967 62.100 0.346 0.000 1.109 326 T CB 1.078 70.075 68.868 0.215 0.000 0.932 326 T HN 0.184 nan 8.240 nan 0.000 0.518 327 T N 0.569 115.250 114.554 0.212 0.000 3.401 327 T HA 0.381 4.731 4.350 -0.000 0.000 0.341 327 T C -2.878 171.876 174.700 0.090 0.000 1.674 327 T CA -1.959 60.212 62.100 0.118 0.000 1.600 327 T CB 0.381 69.262 68.868 0.022 0.000 0.974 327 T HN 0.264 nan 8.240 nan 0.000 0.672 328 P HA 0.357 nan 4.420 nan 0.000 0.271 328 P C -0.464 176.882 177.300 0.076 0.000 1.218 328 P CA -0.322 62.828 63.100 0.083 0.000 0.780 328 P CB 1.203 32.958 31.700 0.092 0.000 0.901 329 V N 1.375 121.332 119.914 0.071 0.000 2.540 329 V HA 0.884 5.003 4.120 -0.000 0.000 0.302 329 V C 0.656 176.807 176.094 0.095 0.000 1.035 329 V CA -0.386 61.960 62.300 0.078 0.000 0.873 329 V CB 1.454 33.300 31.823 0.037 0.000 0.992 329 V HN 0.912 nan 8.190 nan 0.000 0.428 330 G N 1.979 110.863 108.800 0.141 0.000 2.749 330 G HA2 0.621 4.581 3.960 -0.000 0.000 0.300 330 G HA3 0.621 4.581 3.960 -0.000 0.000 0.300 330 G C -0.466 174.524 174.900 0.149 0.000 1.352 330 G CA -0.930 44.248 45.100 0.130 0.000 0.789 330 G HN 0.463 nan 8.290 nan 0.000 0.509 331 R N -1.429 119.132 120.500 0.102 0.000 3.525 331 R HA -0.143 4.197 4.340 -0.000 0.000 0.276 331 R C -0.198 176.155 176.300 0.089 0.000 1.116 331 R CA 0.295 56.446 56.100 0.086 0.000 0.745 331 R CB -2.432 27.929 30.300 0.102 0.000 1.185 331 R HN 0.438 nan 8.270 nan 0.000 0.454 332 L N 1.628 122.892 121.223 0.069 0.000 2.315 332 L HA 0.309 4.649 4.340 -0.000 0.000 0.283 332 L C 1.029 177.922 176.870 0.038 0.000 1.089 332 L CA 0.142 55.013 54.840 0.053 0.000 0.833 332 L CB 0.558 42.637 42.059 0.033 0.000 1.170 332 L HN 0.271 nan 8.230 nan 0.000 0.442 333 R N 2.201 122.725 120.500 0.041 0.000 2.709 333 R HA 0.416 4.756 4.340 -0.000 0.000 0.270 333 R C -1.700 174.625 176.300 0.042 0.000 1.038 333 R CA -1.112 55.008 56.100 0.033 0.000 0.872 333 R CB 0.969 31.288 30.300 0.031 0.000 1.259 333 R HN 0.081 nan 8.270 nan 0.000 0.473 334 K N 2.520 122.942 120.400 0.036 0.000 2.339 334 K HA 0.263 4.583 4.320 -0.000 0.000 0.286 334 K C 0.047 176.681 176.600 0.056 0.000 1.050 334 K CA -0.330 55.989 56.287 0.052 0.000 0.956 334 K CB 0.710 33.236 32.500 0.042 0.000 0.990 334 K HN 0.459 nan 8.250 nan 0.000 0.475 335 L N 2.161 123.435 121.223 0.085 0.000 2.476 335 L HA 0.060 4.400 4.340 -0.000 0.000 0.255 335 L C 1.615 178.478 176.870 -0.011 0.000 1.218 335 L CA -0.508 54.361 54.840 0.049 0.000 0.819 335 L CB 0.118 42.226 42.059 0.082 0.000 1.119 335 L HN 0.513 nan 8.230 nan 0.000 0.485 336 N N 1.047 119.721 118.700 -0.044 0.000 2.381 336 N HA -0.100 4.640 4.740 -0.000 0.000 0.182 336 N C 1.316 176.741 175.510 -0.141 0.000 1.025 336 N CA 1.002 54.011 53.050 -0.068 0.000 0.888 336 N CB -0.077 38.379 38.487 -0.052 0.000 0.965 336 N HN 0.588 nan 8.380 nan 0.000 0.438 337 M N -0.930 118.501 119.600 -0.281 0.000 2.722 337 M HA 0.278 4.758 4.480 -0.000 0.000 0.238 337 M C 0.590 176.590 176.300 -0.499 0.000 1.098 337 M CA 0.217 55.212 55.300 -0.510 0.000 1.062 337 M CB -0.566 31.471 32.600 -0.939 0.000 1.573 337 M HN -0.048 nan 8.290 nan 0.000 0.531 338 G N 1.268 109.952 108.800 -0.193 0.000 2.326 338 G HA2 0.121 4.081 3.960 -0.000 0.000 0.413 338 G HA3 0.121 4.081 3.960 -0.000 0.000 0.413 338 G C -3.036 171.953 174.900 0.148 0.000 1.444 338 G CA -0.886 44.234 45.100 0.033 0.000 1.002 338 G HN -0.020 nan 8.290 nan 0.000 0.649 339 P HA 0.151 nan 4.420 nan 0.000 0.249 339 P C 0.905 178.255 177.300 0.083 0.000 1.229 339 P CA 0.715 63.865 63.100 0.083 0.000 0.788 339 P CB 0.388 32.113 31.700 0.042 0.000 1.072 340 E N -1.071 119.218 120.200 0.147 0.000 2.489 340 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 340 E C -0.270 176.241 176.600 -0.148 0.000 1.057 340 E CA 0.236 56.635 56.400 -0.002 0.000 0.866 340 E CB -0.018 29.673 29.700 -0.015 0.000 0.916 340 E HN 0.290 nan 8.360 nan 0.000 0.500 341 F N 0.971 120.863 119.950 -0.098 0.000 2.427 341 F HA 0.342 4.869 4.527 -0.000 0.000 0.346 341 F C -0.013 175.736 175.800 -0.084 0.000 1.120 341 F CA -0.986 56.947 58.000 -0.111 0.000 1.033 341 F CB 1.100 40.071 39.000 -0.048 0.000 1.126 341 F HN -0.160 nan 8.300 nan 0.000 0.462 342 L N 3.204 124.427 121.223 0.001 0.000 2.354 342 L HA 0.792 5.132 4.340 -0.000 0.000 0.269 342 L C -0.428 176.475 176.870 0.054 0.000 1.005 342 L CA -0.267 54.577 54.840 0.006 0.000 0.819 342 L CB 2.068 44.083 42.059 -0.074 0.000 1.311 342 L HN 0.567 nan 8.230 nan 0.000 0.423 343 S N 3.407 119.158 115.700 0.086 0.000 2.536 343 S HA 1.013 5.483 4.470 -0.000 0.000 0.298 343 S C -0.803 173.885 174.600 0.148 0.000 1.083 343 S CA 0.004 58.288 58.200 0.140 0.000 0.995 343 S CB 1.804 65.088 63.200 0.140 0.000 1.058 343 S HN 1.360 nan 8.310 nan 0.000 0.488 344 A N 1.870 124.833 122.820 0.237 0.000 2.589 344 A HA 0.760 5.080 4.320 -0.000 0.000 0.296 344 A C -1.787 176.042 177.584 0.408 0.000 1.062 344 A CA -0.649 51.544 52.037 0.261 0.000 0.686 344 A CB 1.160 20.261 19.000 0.169 0.000 1.282 344 A HN 1.136 nan 8.150 nan 0.000 0.404 345 F N 1.846 121.904 119.950 0.180 0.000 2.518 345 F HA 0.690 5.217 4.527 -0.000 0.000 0.323 345 F C 0.360 176.250 175.800 0.150 0.000 1.129 345 F CA 0.228 58.308 58.000 0.135 0.000 0.920 345 F CB 2.174 41.189 39.000 0.025 0.000 1.160 345 F HN 0.801 nan 8.300 nan 0.000 0.440 346 T N 2.775 117.140 114.554 -0.315 0.000 2.924 346 T HA 0.880 5.230 4.350 -0.000 0.000 0.291 346 T C -1.327 173.213 174.700 -0.267 0.000 1.045 346 T CA -0.754 61.276 62.100 -0.117 0.000 1.015 346 T CB 1.729 70.664 68.868 0.112 0.000 1.103 346 T HN 0.422 nan 8.240 nan 0.000 0.496 347 V N 0.305 120.188 119.914 -0.052 0.000 2.925 347 V HA 0.948 5.068 4.120 -0.000 0.000 0.311 347 V C 0.285 176.417 176.094 0.063 0.000 1.104 347 V CA -0.481 61.818 62.300 -0.001 0.000 0.954 347 V CB 1.974 33.838 31.823 0.068 0.000 1.022 347 V HN 1.497 nan 8.190 nan 0.000 0.427 348 G N 0.916 109.767 108.800 0.086 0.000 2.691 348 G HA2 0.397 4.357 3.960 -0.000 0.000 0.298 348 G HA3 0.397 4.357 3.960 -0.000 0.000 0.298 348 G C -1.805 173.151 174.900 0.094 0.000 1.471 348 G CA -0.588 44.578 45.100 0.110 0.000 0.912 348 G HN 0.603 nan 8.290 nan 0.000 0.553 349 D N 0.973 121.428 120.400 0.090 0.000 2.417 349 D HA 0.012 4.651 4.640 -0.000 0.000 0.250 349 D C 1.190 177.478 176.300 -0.020 0.000 1.166 349 D CA -0.132 53.887 54.000 0.031 0.000 0.881 349 D CB 1.523 42.338 40.800 0.024 0.000 1.164 349 D HN 0.439 nan 8.370 nan 0.000 0.467 350 Q N 4.233 123.956 119.800 -0.128 0.000 2.172 350 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 350 Q C 1.791 177.704 176.000 -0.145 0.000 0.964 350 Q CA 0.740 56.396 55.803 -0.245 0.000 0.855 350 Q CB 0.139 28.519 28.738 -0.598 0.000 0.918 350 Q HN 0.681 nan 8.270 nan 0.000 0.444 351 L N 0.109 121.265 121.223 -0.113 0.000 2.217 351 L HA -0.097 4.242 4.340 -0.000 0.000 0.211 351 L C 2.149 178.948 176.870 -0.118 0.000 1.107 351 L CA 0.399 55.180 54.840 -0.100 0.000 0.783 351 L CB -0.132 41.877 42.059 -0.083 0.000 0.919 351 L HN 0.201 nan 8.230 nan 0.000 0.442 352 L N -1.834 119.310 121.223 -0.132 0.000 2.157 352 L HA -0.063 4.277 4.340 -0.000 0.000 0.201 352 L C 2.152 178.876 176.870 -0.243 0.000 1.221 352 L CA 0.897 55.592 54.840 -0.243 0.000 0.915 352 L CB -0.734 41.146 42.059 -0.299 0.000 1.013 352 L HN 0.146 nan 8.230 nan 0.000 0.522 353 W N 0.278 121.495 121.300 -0.137 0.000 2.392 353 W HA -0.100 4.560 4.660 -0.000 0.000 0.279 353 W C 2.178 178.628 176.519 -0.115 0.000 1.225 353 W CA 0.748 57.999 57.345 -0.157 0.000 1.233 353 W CB -0.345 29.012 29.460 -0.170 0.000 1.122 353 W HN 0.336 nan 8.180 nan 0.000 0.561 354 G N -0.997 107.867 108.800 0.107 0.000 2.712 354 G HA2 0.224 4.184 3.960 -0.000 0.000 0.212 354 G HA3 0.224 4.184 3.960 -0.000 0.000 0.212 354 G C 0.965 175.865 174.900 0.000 0.000 1.142 354 G CA 0.903 46.026 45.100 0.039 0.000 0.789 354 G HN 0.274 nan 8.290 nan 0.000 0.535 355 A N -0.222 122.581 122.820 -0.028 0.000 1.730 355 A HA 0.735 5.054 4.320 -0.000 0.000 0.160 355 A C 2.177 179.723 177.584 -0.063 0.000 1.746 355 A CA 1.248 53.259 52.037 -0.043 0.000 1.283 355 A CB -0.831 18.133 19.000 -0.061 0.000 0.995 355 A HN 0.533 nan 8.150 nan 0.000 0.764 356 A N -0.402 122.352 122.820 -0.110 0.000 1.874 356 A HA 0.063 4.383 4.320 -0.000 0.000 0.214 356 A C 1.761 179.225 177.584 -0.200 0.000 1.189 356 A CA 2.135 54.089 52.037 -0.139 0.000 0.615 356 A CB -0.617 18.291 19.000 -0.153 0.000 0.830 356 A HN 0.491 nan 8.150 nan 0.000 0.443 357 E N 0.351 120.358 120.200 -0.322 0.000 2.113 357 E HA -0.192 4.158 4.350 -0.000 0.000 0.210 357 E C -0.656 175.744 176.600 -0.334 0.000 1.040 357 E CA 2.540 58.631 56.400 -0.515 0.000 0.847 357 E CB -1.089 27.951 29.700 -1.099 0.000 0.755 357 E HN 0.465 nan 8.360 nan 0.000 0.459 358 P HA -0.148 nan 4.420 nan 0.000 0.216 358 P C 1.368 178.637 177.300 -0.052 0.000 1.150 358 P CA 1.302 64.395 63.100 -0.012 0.000 0.837 358 P CB -0.150 31.589 31.700 0.065 0.000 0.786 359 L N -0.744 120.438 121.223 -0.068 0.000 1.988 359 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 359 L C 2.913 179.731 176.870 -0.088 0.000 1.071 359 L CA 1.457 56.263 54.840 -0.056 0.000 0.744 359 L CB -1.110 40.923 42.059 -0.044 0.000 0.893 359 L HN -0.103 nan 8.230 nan 0.000 0.433 360 R N 0.910 121.329 120.500 -0.134 0.000 2.119 360 R HA -0.202 4.137 4.340 -0.000 0.000 0.246 360 R C 2.449 178.659 176.300 -0.148 0.000 1.146 360 R CA 1.854 57.855 56.100 -0.165 0.000 0.962 360 R CB -0.092 30.072 30.300 -0.226 0.000 0.863 360 R HN 0.426 nan 8.270 nan 0.000 0.442 361 R N -0.614 119.801 120.500 -0.142 0.000 2.119 361 R HA -0.058 4.282 4.340 -0.000 0.000 0.222 361 R C 2.190 178.420 176.300 -0.116 0.000 1.088 361 R CA 0.905 56.938 56.100 -0.111 0.000 0.984 361 R CB -0.430 29.824 30.300 -0.077 0.000 0.884 361 R HN 0.201 nan 8.270 nan 0.000 0.447 362 M N 1.652 121.176 119.600 -0.128 0.000 2.132 362 M HA -0.069 4.411 4.480 -0.000 0.000 0.263 362 M C 2.023 178.200 176.300 -0.205 0.000 1.065 362 M CA 1.287 56.470 55.300 -0.196 0.000 1.122 362 M CB -0.459 32.029 32.600 -0.187 0.000 1.365 362 M HN 0.135 nan 8.290 nan 0.000 0.411 363 L N -0.036 121.107 121.223 -0.134 0.000 2.042 363 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 363 L C 2.382 179.184 176.870 -0.114 0.000 1.076 363 L CA 2.000 56.779 54.840 -0.103 0.000 0.749 363 L CB -0.807 41.232 42.059 -0.034 0.000 0.893 363 L HN 0.372 nan 8.230 nan 0.000 0.432 364 R N -1.035 119.397 120.500 -0.113 0.000 2.091 364 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 364 R C 2.382 178.619 176.300 -0.104 0.000 1.136 364 R CA 1.900 57.941 56.100 -0.097 0.000 0.959 364 R CB -0.202 30.047 30.300 -0.087 0.000 0.856 364 R HN 0.579 nan 8.270 nan 0.000 0.437 365 Q N -0.107 119.609 119.800 -0.139 0.000 2.084 365 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 365 Q C 2.043 177.933 176.000 -0.183 0.000 0.978 365 Q CA 1.465 57.172 55.803 -0.159 0.000 0.844 365 Q CB 0.003 28.612 28.738 -0.214 0.000 0.898 365 Q HN 0.406 nan 8.270 nan 0.000 0.426 366 L N 0.027 121.106 121.223 -0.240 0.000 2.418 366 L HA 0.105 4.445 4.340 -0.000 0.000 0.218 366 L C 1.317 178.120 176.870 -0.112 0.000 1.125 366 L CA -0.356 54.328 54.840 -0.260 0.000 0.835 366 L CB -0.506 41.289 42.059 -0.439 0.000 0.953 366 L HN 0.037 nan 8.230 nan 0.000 0.454 367 A N 0.000 122.771 122.820 -0.082 0.000 2.254 367 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 367 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 367 A CB 0.000 18.981 19.000 -0.032 0.000 0.831 367 A HN 0.000 nan 8.150 nan 0.000 0.486