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 1gl3_1_B 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 DKQLDNGQSR 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 0.000 176.339 176.300 0.064 0.000 1.140 1 M CA 0.000 55.334 55.300 0.057 0.000 0.988 1 M CB 0.000 32.634 32.600 0.056 0.000 1.302 2 K N 0.906 121.345 120.400 0.065 0.000 2.319 2 K HA 0.275 4.597 4.320 0.002 0.000 0.265 2 K C 0.400 177.048 176.600 0.080 0.000 1.000 2 K CA -0.172 56.159 56.287 0.073 0.000 0.943 2 K CB 1.006 33.549 32.500 0.071 0.000 0.950 2 K HN 0.372 nan 8.250 nan 0.000 0.485 3 N N 2.140 120.892 118.700 0.087 0.000 2.555 3 N HA 0.063 4.804 4.740 0.002 0.000 0.244 3 N C -0.843 174.702 175.510 0.058 0.000 1.114 3 N CA -0.058 53.045 53.050 0.088 0.000 0.963 3 N CB 0.684 39.235 38.487 0.107 0.000 1.276 3 N HN 0.161 nan 8.380 nan 0.000 0.510 4 V N 1.174 121.090 119.914 0.004 0.000 2.385 4 V HA 0.375 4.496 4.120 0.002 0.000 0.269 4 V C 1.066 176.934 176.094 -0.377 0.000 1.043 4 V CA -0.814 61.368 62.300 -0.195 0.000 0.906 4 V CB 1.122 32.801 31.823 -0.241 0.000 0.995 4 V HN 0.521 nan 8.190 nan 0.000 0.467 5 G N 3.814 112.373 108.800 -0.402 0.000 2.367 5 G HA2 0.645 4.606 3.960 0.002 0.000 0.314 5 G HA3 0.645 4.606 3.960 0.002 0.000 0.314 5 G C -1.147 173.346 174.900 -0.677 0.000 1.130 5 G CA -0.316 44.597 45.100 -0.311 0.000 0.864 5 G HN 0.449 nan 8.290 nan 0.000 0.486 6 F N 0.882 120.775 119.950 -0.095 0.000 2.467 6 F HA 0.563 5.091 4.527 0.002 0.000 0.336 6 F C 0.242 176.118 175.800 0.127 0.000 1.123 6 F CA -0.629 57.356 58.000 -0.025 0.000 0.964 6 F CB 2.180 41.171 39.000 -0.014 0.000 1.136 6 F HN 0.148 nan 8.300 nan 0.000 0.447 7 I N 1.634 122.250 120.570 0.076 0.000 2.608 7 I HA 0.583 4.754 4.170 0.002 0.000 0.295 7 I C 0.512 176.561 176.117 -0.113 0.000 1.049 7 I CA -0.997 60.241 61.300 -0.102 0.000 1.063 7 I CB 2.037 39.721 38.000 -0.526 0.000 1.248 7 I HN 0.775 nan 8.210 nan 0.000 0.424 8 G N 4.688 113.355 108.800 -0.221 0.000 2.272 8 G HA2 -0.210 3.751 3.960 0.002 0.000 0.280 8 G HA3 -0.210 3.751 3.960 0.002 0.000 0.280 8 G C 0.344 175.184 174.900 -0.099 0.000 1.067 8 G CA 0.562 45.515 45.100 -0.245 0.000 0.902 8 G HN 0.958 nan 8.290 nan 0.000 0.500 9 W N -0.802 120.553 121.300 0.092 0.000 3.256 9 W HA 0.230 4.891 4.660 0.002 0.000 0.269 9 W C 1.381 177.963 176.519 0.105 0.000 1.310 9 W CA 0.134 57.558 57.345 0.132 0.000 1.673 9 W CB -0.417 29.205 29.460 0.270 0.000 1.115 9 W HN 0.441 nan 8.180 nan 0.000 0.686 10 R N 1.818 122.079 120.500 -0.398 0.000 2.100 10 R HA 0.091 4.432 4.340 0.002 0.000 0.220 10 R C 1.509 177.769 176.300 -0.065 0.000 1.091 10 R CA 1.184 57.089 56.100 -0.324 0.000 0.986 10 R CB -0.689 29.231 30.300 -0.634 0.000 0.888 10 R HN 0.053 nan 8.270 nan 0.000 0.444 11 G N 0.596 109.346 108.800 -0.083 0.000 2.716 11 G HA2 -0.048 3.913 3.960 0.002 0.000 0.251 11 G HA3 -0.048 3.913 3.960 0.002 0.000 0.251 11 G C 0.570 175.477 174.900 0.013 0.000 1.224 11 G CA -0.220 44.860 45.100 -0.033 0.000 0.891 11 G HN 0.312 nan 8.290 nan 0.000 0.561 12 M N 0.160 119.764 119.600 0.006 0.000 2.252 12 M HA -0.173 4.308 4.480 0.002 0.000 0.257 12 M C 2.025 178.332 176.300 0.011 0.000 1.077 12 M CA 1.639 56.947 55.300 0.013 0.000 1.066 12 M CB -0.182 32.420 32.600 0.003 0.000 1.380 12 M HN 0.240 nan 8.290 nan 0.000 0.412 13 V N -1.254 118.664 119.914 0.006 0.000 2.391 13 V HA 0.053 4.174 4.120 0.002 0.000 0.237 13 V C 2.411 178.524 176.094 0.033 0.000 1.046 13 V CA 1.580 63.882 62.300 0.002 0.000 1.053 13 V CB -1.428 30.389 31.823 -0.010 0.000 0.704 13 V HN 0.560 nan 8.190 nan 0.000 0.475 14 G N 0.006 108.848 108.800 0.069 0.000 2.547 14 G HA2 -0.317 3.644 3.960 0.002 0.000 0.221 14 G HA3 -0.317 3.644 3.960 0.002 0.000 0.221 14 G C 1.833 176.846 174.900 0.188 0.000 1.140 14 G CA 1.631 46.830 45.100 0.165 0.000 0.760 14 G HN 0.477 nan 8.290 nan 0.000 0.583 15 S N -0.162 115.642 115.700 0.174 0.000 2.351 15 S HA -0.160 4.311 4.470 0.002 0.000 0.220 15 S C 2.563 177.210 174.600 0.077 0.000 1.035 15 S CA 1.467 59.772 58.200 0.175 0.000 1.031 15 S CB -0.503 62.778 63.200 0.135 0.000 0.928 15 S HN 0.228 nan 8.310 nan 0.000 0.433 16 V N 2.427 122.359 119.914 0.030 0.000 2.252 16 V HA -0.204 3.917 4.120 0.002 0.000 0.249 16 V C 2.334 178.386 176.094 -0.069 0.000 1.056 16 V CA 2.013 64.299 62.300 -0.024 0.000 1.022 16 V CB -0.927 30.871 31.823 -0.041 0.000 0.641 16 V HN 0.475 nan 8.190 nan 0.000 0.445 17 L N -0.786 120.399 121.223 -0.065 0.000 2.043 17 L HA -0.207 4.135 4.340 0.002 0.000 0.212 17 L C 2.361 179.114 176.870 -0.194 0.000 1.075 17 L CA 2.179 56.951 54.840 -0.113 0.000 0.752 17 L CB -0.497 41.529 42.059 -0.055 0.000 0.891 17 L HN 0.158 nan 8.230 nan 0.000 0.432 18 M N -0.464 119.025 119.600 -0.185 0.000 2.059 18 M HA -0.232 4.249 4.480 0.002 0.000 0.259 18 M C 2.392 178.441 176.300 -0.418 0.000 1.072 18 M CA 2.091 57.115 55.300 -0.460 0.000 1.117 18 M CB -1.452 30.877 32.600 -0.452 0.000 1.320 18 M HN 0.574 nan 8.290 nan 0.000 0.408 19 Q N -0.096 119.604 119.800 -0.167 0.000 2.152 19 Q HA -0.218 4.123 4.340 0.002 0.000 0.206 19 Q C 2.061 177.999 176.000 -0.104 0.000 0.985 19 Q CA 1.464 57.229 55.803 -0.064 0.000 0.863 19 Q CB 0.034 28.770 28.738 -0.004 0.000 0.904 19 Q HN 0.341 nan 8.270 nan 0.000 0.422 20 R N -0.101 120.307 120.500 -0.153 0.000 2.073 20 R HA -0.017 4.324 4.340 0.002 0.000 0.229 20 R C 2.314 178.491 176.300 -0.206 0.000 1.120 20 R CA 1.336 57.335 56.100 -0.169 0.000 0.967 20 R CB -0.509 29.671 30.300 -0.199 0.000 0.862 20 R HN 0.451 nan 8.270 nan 0.000 0.436 21 M N 0.418 119.831 119.600 -0.312 0.000 2.202 21 M HA -0.150 4.331 4.480 0.002 0.000 0.262 21 M C 2.266 178.403 176.300 -0.272 0.000 1.063 21 M CA 1.372 56.400 55.300 -0.452 0.000 1.097 21 M CB -0.340 31.692 32.600 -0.948 0.000 1.382 21 M HN -0.100 nan 8.290 nan 0.000 0.413 22 V N 0.240 120.096 119.914 -0.095 0.000 2.270 22 V HA -0.236 3.885 4.120 0.002 0.000 0.245 22 V C 2.008 178.110 176.094 0.014 0.000 1.043 22 V CA 1.920 64.266 62.300 0.078 0.000 1.014 22 V CB -0.859 31.037 31.823 0.123 0.000 0.645 22 V HN 0.445 nan 8.190 nan 0.000 0.447 23 E N 0.202 120.387 120.200 -0.025 0.000 2.065 23 E HA -0.247 4.104 4.350 0.002 0.000 0.201 23 E C 2.019 178.599 176.600 -0.034 0.000 1.016 23 E CA 1.665 58.049 56.400 -0.027 0.000 0.818 23 E CB -0.143 29.530 29.700 -0.045 0.000 0.749 23 E HN 0.593 nan 8.360 nan 0.000 0.453 24 E N 0.091 120.250 120.200 -0.069 0.000 2.502 24 E HA -0.047 4.304 4.350 0.002 0.000 0.194 24 E C 0.237 176.804 176.600 -0.055 0.000 1.062 24 E CA 0.007 56.367 56.400 -0.067 0.000 0.867 24 E CB 0.145 29.785 29.700 -0.100 0.000 0.888 24 E HN 0.202 nan 8.360 nan 0.000 0.510 25 R N 1.415 121.896 120.500 -0.033 0.000 3.525 25 R HA -0.188 4.153 4.340 0.002 0.000 0.276 25 R C -0.175 176.106 176.300 -0.032 0.000 1.116 25 R CA 0.619 56.722 56.100 0.004 0.000 0.745 25 R CB -1.334 28.973 30.300 0.012 0.000 1.185 25 R HN 0.045 nan 8.270 nan 0.000 0.454 26 D N -0.245 120.072 120.400 -0.139 0.000 2.144 26 D HA -0.131 4.511 4.640 0.002 0.000 0.200 26 D C 1.350 177.540 176.300 -0.183 0.000 0.978 26 D CA 1.508 55.372 54.000 -0.226 0.000 0.833 26 D CB -0.290 40.264 40.800 -0.409 0.000 0.961 26 D HN 0.435 nan 8.370 nan 0.000 0.470 27 F N 1.357 121.288 119.950 -0.031 0.000 2.333 27 F HA -0.137 4.391 4.527 0.002 0.000 0.300 27 F C 1.981 177.799 175.800 0.031 0.000 1.083 27 F CA 0.516 58.519 58.000 0.005 0.000 1.395 27 F CB -0.052 38.949 39.000 0.001 0.000 1.056 27 F HN -0.163 nan 8.300 nan 0.000 0.529 28 D N 0.237 120.742 120.400 0.175 0.000 2.218 28 D HA -0.129 4.512 4.640 0.002 0.000 0.204 28 D C 1.954 178.306 176.300 0.087 0.000 0.976 28 D CA 1.204 55.273 54.000 0.115 0.000 0.853 28 D CB -0.233 40.611 40.800 0.073 0.000 0.939 28 D HN 0.248 nan 8.370 nan 0.000 0.481 29 A N -0.241 122.620 122.820 0.070 0.000 2.379 29 A HA 0.385 4.706 4.320 0.002 0.000 0.236 29 A C 0.527 178.154 177.584 0.071 0.000 1.272 29 A CA -0.210 51.858 52.037 0.053 0.000 0.886 29 A CB -0.492 18.522 19.000 0.022 0.000 0.962 29 A HN 0.278 nan 8.150 nan 0.000 0.504 30 I N -5.272 115.367 120.570 0.116 0.000 2.913 30 I HA 0.529 4.700 4.170 0.002 0.000 0.302 30 I C -0.441 175.786 176.117 0.183 0.000 1.246 30 I CA -1.043 60.342 61.300 0.140 0.000 1.010 30 I CB 1.621 39.717 38.000 0.159 0.000 1.259 30 I HN -0.218 nan 8.210 nan 0.000 0.434 31 R N 4.419 125.011 120.500 0.153 0.000 2.391 31 R HA 0.479 4.820 4.340 0.002 0.000 0.310 31 R C -2.557 173.850 176.300 0.178 0.000 1.174 31 R CA -1.785 54.403 56.100 0.147 0.000 1.118 31 R CB 0.603 30.966 30.300 0.104 0.000 1.134 31 R HN 0.516 nan 8.270 nan 0.000 0.524 32 P HA 0.173 nan 4.420 nan 0.000 0.275 32 P C -0.647 176.687 177.300 0.056 0.000 1.266 32 P CA -0.285 62.978 63.100 0.271 0.000 0.793 32 P CB 1.096 32.971 31.700 0.292 0.000 1.074 33 V N -1.100 118.724 119.914 -0.150 0.000 3.204 33 V HA 0.443 4.564 4.120 0.002 0.000 0.298 33 V C -1.072 174.817 176.094 -0.342 0.000 1.328 33 V CA -0.384 61.865 62.300 -0.086 0.000 1.035 33 V CB 2.029 33.945 31.823 0.155 0.000 1.095 33 V HN 0.344 nan 8.190 nan 0.000 0.442 34 F N 2.089 122.212 119.950 0.288 0.000 2.828 34 F HA 0.722 5.250 4.527 0.002 0.000 0.355 34 F C -0.462 175.598 175.800 0.433 0.000 1.200 34 F CA -0.359 57.921 58.000 0.466 0.000 1.062 34 F CB 1.121 40.259 39.000 0.230 0.000 1.351 34 F HN 0.260 nan 8.300 nan 0.000 0.504 35 F N 0.648 120.820 119.950 0.369 0.000 2.291 35 F HA 0.771 5.300 4.527 0.002 0.000 0.305 35 F C 0.726 176.609 175.800 0.138 0.000 1.171 35 F CA -1.181 56.931 58.000 0.188 0.000 1.090 35 F CB 0.918 39.938 39.000 0.033 0.000 1.436 35 F HN 0.309 nan 8.300 nan 0.000 0.509 36 S N -1.747 114.084 115.700 0.217 0.000 2.578 36 S HA 0.396 4.867 4.470 0.002 0.000 0.272 36 S C -0.138 174.481 174.600 0.031 0.000 1.145 36 S CA -0.110 58.105 58.200 0.026 0.000 0.835 36 S CB 1.206 64.419 63.200 0.022 0.000 1.104 36 S HN 0.839 nan 8.310 nan 0.000 0.458 37 T N -1.005 113.552 114.554 0.005 0.000 3.132 37 T HA 0.340 4.691 4.350 0.002 0.000 0.274 37 T C 0.798 175.615 174.700 0.195 0.000 1.011 37 T CA 0.691 62.912 62.100 0.201 0.000 0.899 37 T CB -0.081 68.914 68.868 0.211 0.000 1.089 37 T HN 0.783 nan 8.240 nan 0.000 0.543 38 S N -0.399 115.352 115.700 0.086 0.000 2.615 38 S HA 0.277 4.748 4.470 0.002 0.000 0.277 38 S C 0.618 175.240 174.600 0.036 0.000 1.068 38 S CA -0.444 57.791 58.200 0.058 0.000 1.315 38 S CB 0.059 63.272 63.200 0.021 0.000 1.193 38 S HN 0.317 nan 8.310 nan 0.000 0.656 39 Q N 1.379 121.198 119.800 0.031 0.000 2.088 39 Q HA 0.466 4.807 4.340 0.002 0.000 0.270 39 Q C -0.758 175.274 176.000 0.054 0.000 0.854 39 Q CA -0.325 55.496 55.803 0.030 0.000 1.104 39 Q CB 1.257 29.999 28.738 0.007 0.000 1.251 39 Q HN 0.558 nan 8.270 nan 0.000 0.436 40 L N -0.162 121.105 121.223 0.074 0.000 2.559 40 L HA 0.181 4.522 4.340 0.002 0.000 0.282 40 L C 1.169 178.073 176.870 0.058 0.000 1.232 40 L CA 2.356 57.245 54.840 0.081 0.000 0.885 40 L CB 0.264 42.384 42.059 0.102 0.000 1.131 40 L HN 0.441 nan 8.230 nan 0.000 0.498 41 G N 2.017 110.847 108.800 0.050 0.000 2.317 41 G HA2 -0.269 3.692 3.960 0.002 0.000 0.227 41 G HA3 -0.269 3.692 3.960 0.002 0.000 0.227 41 G C 0.545 175.463 174.900 0.030 0.000 1.042 41 G CA 0.323 45.443 45.100 0.034 0.000 0.623 41 G HN 0.766 nan 8.290 nan 0.000 0.509 42 Q N 0.672 120.495 119.800 0.038 0.000 2.677 42 Q HA 0.598 4.939 4.340 0.002 0.000 0.187 42 Q C 1.138 177.157 176.000 0.032 0.000 1.146 42 Q CA 0.026 55.848 55.803 0.032 0.000 1.224 42 Q CB 0.194 28.954 28.738 0.037 0.000 1.268 42 Q HN 0.968 nan 8.270 nan 0.000 0.674 43 A N -0.075 122.757 122.820 0.020 0.000 2.445 43 A HA 0.473 4.795 4.320 0.002 0.000 0.242 43 A C -0.456 177.126 177.584 -0.003 0.000 1.075 43 A CA 0.210 52.240 52.037 -0.011 0.000 0.777 43 A CB -0.004 18.971 19.000 -0.041 0.000 1.013 43 A HN 0.606 nan 8.150 nan 0.000 0.493 44 A N 2.886 125.657 122.820 -0.081 0.000 2.293 44 A HA 0.651 4.972 4.320 0.002 0.000 0.302 44 A C -1.254 176.049 177.584 -0.469 0.000 1.119 44 A CA -1.510 50.421 52.037 -0.177 0.000 0.823 44 A CB -0.080 18.844 19.000 -0.126 0.000 1.097 44 A HN 0.596 nan 8.150 nan 0.000 0.491 45 P HA -0.237 nan 4.420 nan 0.000 0.217 45 P C 0.617 177.194 177.300 -1.205 0.000 1.158 45 P CA 2.590 64.839 63.100 -1.419 0.000 0.887 45 P CB -0.040 30.277 31.700 -2.304 0.000 0.792 46 S N -5.352 109.792 115.700 -0.927 0.000 3.858 46 S HA -0.221 4.250 4.470 0.002 0.000 0.356 46 S C 0.506 174.709 174.600 -0.661 0.000 1.013 46 S CA 0.375 58.211 58.200 -0.608 0.000 1.083 46 S CB -2.690 60.237 63.200 -0.455 0.000 0.883 46 S HN 0.107 nan 8.310 nan 0.000 0.475 47 F N 1.317 120.855 119.950 -0.687 0.000 2.140 47 F HA 0.420 4.948 4.527 0.002 0.000 0.278 47 F C 2.350 177.754 175.800 -0.660 0.000 1.121 47 F CA 0.389 57.928 58.000 -0.769 0.000 1.139 47 F CB -0.542 37.650 39.000 -1.347 0.000 1.062 47 F HN 0.531 nan 8.300 nan 0.000 0.501 48 G N -0.464 107.938 108.800 -0.663 0.000 3.458 48 G HA2 0.379 4.340 3.960 0.002 0.000 0.256 48 G HA3 0.379 4.340 3.960 0.002 0.000 0.256 48 G C 0.821 175.676 174.900 -0.075 0.000 0.938 48 G CA 0.106 45.058 45.100 -0.247 0.000 1.890 48 G HN 0.772 nan 8.290 nan 0.000 0.639 49 G N 0.753 109.502 108.800 -0.084 0.000 2.258 49 G HA2 -0.249 3.712 3.960 0.002 0.000 0.274 49 G HA3 -0.249 3.712 3.960 0.002 0.000 0.274 49 G C 0.326 175.202 174.900 -0.040 0.000 1.021 49 G CA 0.641 45.712 45.100 -0.049 0.000 0.798 49 G HN 0.882 nan 8.290 nan 0.000 0.507 50 T N 0.791 115.306 114.554 -0.066 0.000 3.077 50 T HA 0.544 4.895 4.350 0.002 0.000 0.359 50 T C 0.222 174.880 174.700 -0.069 0.000 1.108 50 T CA 0.203 62.297 62.100 -0.009 0.000 1.170 50 T CB 1.272 70.204 68.868 0.106 0.000 1.045 50 T HN 0.871 nan 8.240 nan 0.000 0.505 51 T N 0.080 114.576 114.554 -0.096 0.000 2.895 51 T HA 0.896 5.247 4.350 0.002 0.000 0.283 51 T C 0.621 175.275 174.700 -0.077 0.000 1.014 51 T CA -0.031 61.983 62.100 -0.144 0.000 1.037 51 T CB 2.107 70.882 68.868 -0.156 0.000 1.006 51 T HN 0.600 nan 8.240 nan 0.000 0.468 52 G N 1.590 110.342 108.800 -0.081 0.000 3.019 52 G HA2 0.548 4.509 3.960 0.002 0.000 0.125 52 G HA3 0.548 4.509 3.960 0.002 0.000 0.125 52 G C -0.537 174.345 174.900 -0.030 0.000 1.193 52 G CA 0.019 45.097 45.100 -0.036 0.000 1.432 52 G HN 1.545 nan 8.290 nan 0.000 0.687 53 T N -0.811 113.745 114.554 0.002 0.000 3.097 53 T HA 0.597 4.948 4.350 0.002 0.000 0.332 53 T C -0.269 174.468 174.700 0.062 0.000 1.269 53 T CA -0.691 61.422 62.100 0.022 0.000 1.076 53 T CB 1.406 70.280 68.868 0.010 0.000 1.209 53 T HN 0.672 nan 8.240 nan 0.000 0.474 54 L N 2.398 123.691 121.223 0.117 0.000 2.593 54 L HA 0.113 4.454 4.340 0.002 0.000 0.287 54 L C 1.018 177.929 176.870 0.068 0.000 1.243 54 L CA 0.054 55.003 54.840 0.182 0.000 0.890 54 L CB -0.107 42.074 42.059 0.204 0.000 1.134 54 L HN 0.652 nan 8.230 nan 0.000 0.502 55 Q N 1.288 121.079 119.800 -0.014 0.000 2.286 55 Q HA 0.250 4.591 4.340 0.002 0.000 0.250 55 Q C -0.775 175.231 176.000 0.009 0.000 1.021 55 Q CA -0.961 54.735 55.803 -0.179 0.000 0.930 55 Q CB 1.402 29.715 28.738 -0.708 0.000 1.266 55 Q HN 0.460 nan 8.270 nan 0.000 0.491 56 D N 0.338 120.776 120.400 0.064 0.000 2.365 56 D HA 0.212 4.853 4.640 0.002 0.000 0.237 56 D C -0.199 176.374 176.300 0.454 0.000 1.190 56 D CA 0.012 54.163 54.000 0.252 0.000 0.867 56 D CB 1.191 42.130 40.800 0.232 0.000 1.050 56 D HN 0.613 nan 8.370 nan 0.000 0.491 57 A N 3.623 126.616 122.820 0.289 0.000 2.258 57 A HA -0.026 4.295 4.320 0.002 0.000 0.206 57 A C 0.765 178.286 177.584 -0.105 0.000 1.222 57 A CA 0.339 52.407 52.037 0.052 0.000 0.822 57 A CB -0.406 18.393 19.000 -0.335 0.000 0.804 57 A HN 0.507 nan 8.150 nan 0.000 0.483 58 F N -1.043 119.084 119.950 0.295 0.000 2.706 58 F HA 0.212 4.740 4.527 0.002 0.000 0.313 58 F C 0.413 176.287 175.800 0.123 0.000 1.096 58 F CA -1.078 57.033 58.000 0.184 0.000 1.219 58 F CB 0.605 39.691 39.000 0.143 0.000 1.051 58 F HN 0.103 nan 8.300 nan 0.000 0.568 59 D N 1.742 122.314 120.400 0.287 0.000 2.468 59 D HA 0.126 4.767 4.640 0.002 0.000 0.218 59 D C 1.455 177.836 176.300 0.134 0.000 1.155 59 D CA 0.235 54.354 54.000 0.198 0.000 0.924 59 D CB 0.502 41.419 40.800 0.195 0.000 1.029 59 D HN 0.195 nan 8.370 nan 0.000 0.515 60 L N 2.590 123.861 121.223 0.080 0.000 2.013 60 L HA -0.211 4.130 4.340 0.002 0.000 0.212 60 L C 2.135 179.011 176.870 0.010 0.000 1.073 60 L CA 1.123 55.968 54.840 0.009 0.000 0.753 60 L CB -0.156 41.901 42.059 -0.004 0.000 0.890 60 L HN 0.395 nan 8.230 nan 0.000 0.432 61 E N 0.006 120.231 120.200 0.042 0.000 2.058 61 E HA -0.238 4.113 4.350 0.002 0.000 0.194 61 E C 2.217 178.857 176.600 0.068 0.000 0.997 61 E CA 1.534 57.963 56.400 0.049 0.000 0.801 61 E CB -0.310 29.422 29.700 0.053 0.000 0.746 61 E HN 0.507 nan 8.360 nan 0.000 0.450 62 A N 0.895 123.776 122.820 0.101 0.000 1.933 62 A HA -0.118 4.203 4.320 0.002 0.000 0.218 62 A C 2.409 180.101 177.584 0.179 0.000 1.175 62 A CA 1.071 53.202 52.037 0.157 0.000 0.628 62 A CB -0.620 18.510 19.000 0.216 0.000 0.814 62 A HN 0.187 nan 8.150 nan 0.000 0.444 63 L N -0.701 120.569 121.223 0.079 0.000 2.109 63 L HA -0.143 4.198 4.340 0.002 0.000 0.207 63 L C 2.293 179.022 176.870 -0.236 0.000 1.086 63 L CA 1.363 56.126 54.840 -0.128 0.000 0.760 63 L CB -0.397 41.495 42.059 -0.278 0.000 0.910 63 L HN 0.325 nan 8.230 nan 0.000 0.437 64 K N 0.306 120.621 120.400 -0.142 0.000 2.442 64 K HA -0.094 4.227 4.320 0.002 0.000 0.198 64 K C 2.002 178.729 176.600 0.211 0.000 1.044 64 K CA 1.021 57.322 56.287 0.024 0.000 0.948 64 K CB -0.156 32.399 32.500 0.093 0.000 0.762 64 K HN 0.293 nan 8.250 nan 0.000 0.472 65 A N 1.178 124.087 122.820 0.148 0.000 2.072 65 A HA 0.059 4.380 4.320 0.002 0.000 0.216 65 A C 0.932 178.637 177.584 0.203 0.000 1.156 65 A CA 0.280 52.417 52.037 0.165 0.000 0.701 65 A CB -0.191 18.887 19.000 0.129 0.000 0.816 65 A HN 0.101 nan 8.150 nan 0.000 0.458 66 L N -0.141 121.223 121.223 0.235 0.000 2.395 66 L HA 0.306 4.647 4.340 0.002 0.000 0.269 66 L C 0.333 177.432 176.870 0.381 0.000 1.133 66 L CA -0.431 54.557 54.840 0.247 0.000 0.812 66 L CB 0.508 42.666 42.059 0.165 0.000 1.125 66 L HN 0.138 nan 8.230 nan 0.000 0.452 67 D N 1.170 121.721 120.400 0.252 0.000 2.289 67 D HA 0.222 4.864 4.640 0.002 0.000 0.207 67 D C -0.008 176.457 176.300 0.275 0.000 0.966 67 D CA 0.974 55.100 54.000 0.211 0.000 0.868 67 D CB 0.310 41.195 40.800 0.142 0.000 0.943 67 D HN 0.296 nan 8.370 nan 0.000 0.514 68 I N 0.310 121.053 120.570 0.287 0.000 2.827 68 I HA 0.352 4.523 4.170 0.002 0.000 0.298 68 I C -1.208 174.992 176.117 0.138 0.000 1.235 68 I CA -0.879 60.594 61.300 0.288 0.000 1.021 68 I CB 2.909 40.988 38.000 0.132 0.000 1.259 68 I HN -0.281 nan 8.210 nan 0.000 0.427 69 I N 4.767 125.414 120.570 0.128 0.000 2.533 69 I HA 0.458 4.629 4.170 0.002 0.000 0.290 69 I C -1.015 174.845 176.117 -0.429 0.000 1.056 69 I CA -0.951 60.203 61.300 -0.243 0.000 1.057 69 I CB 2.416 40.228 38.000 -0.314 0.000 1.240 69 I HN 0.116 nan 8.210 nan 0.000 0.423 70 V N 4.487 124.089 119.914 -0.520 0.000 2.349 70 V HA 0.335 4.456 4.120 0.002 0.000 0.284 70 V C -0.028 175.863 176.094 -0.337 0.000 1.014 70 V CA -0.448 61.620 62.300 -0.387 0.000 0.826 70 V CB 1.705 33.384 31.823 -0.239 0.000 1.009 70 V HN 0.851 nan 8.190 nan 0.000 0.431 71 T N 0.727 115.022 114.554 -0.433 0.000 2.824 71 T HA 0.413 4.764 4.350 0.002 0.000 0.280 71 T C 0.249 174.855 174.700 -0.157 0.000 0.995 71 T CA -0.565 61.339 62.100 -0.328 0.000 1.009 71 T CB 1.384 70.020 68.868 -0.386 0.000 0.955 71 T HN 0.573 nan 8.240 nan 0.000 0.452 72 C N 1.867 121.106 119.300 -0.102 0.000 3.386 72 C HA 0.267 4.728 4.460 0.002 0.000 0.279 72 C C 2.083 177.033 174.990 -0.066 0.000 1.508 72 C CA -0.449 58.541 59.018 -0.047 0.000 1.801 72 C CB -0.839 26.904 27.740 0.005 0.000 2.798 72 C HN 1.048 nan 8.230 nan 0.000 0.605 73 Q N 2.344 122.069 119.800 -0.126 0.000 1.942 73 Q HA 0.308 4.649 4.340 0.002 0.000 0.203 73 Q C 1.010 176.992 176.000 -0.030 0.000 0.987 73 Q CA 2.496 58.213 55.803 -0.143 0.000 0.844 73 Q CB -0.100 28.441 28.738 -0.329 0.000 0.911 73 Q HN 0.648 nan 8.270 nan 0.000 0.423 74 G N -3.588 105.240 108.800 0.047 0.000 2.339 74 G HA2 0.317 4.278 3.960 0.002 0.000 0.302 74 G HA3 0.317 4.278 3.960 0.002 0.000 0.302 74 G C 0.290 175.283 174.900 0.155 0.000 1.425 74 G CA -0.220 44.932 45.100 0.086 0.000 0.899 74 G HN 0.356 nan 8.290 nan 0.000 0.619 75 G N -0.387 108.486 108.800 0.121 0.000 2.440 75 G HA2 -0.118 3.843 3.960 0.002 0.000 0.218 75 G HA3 -0.118 3.843 3.960 0.002 0.000 0.218 75 G C 1.180 176.162 174.900 0.137 0.000 1.154 75 G CA 2.023 47.198 45.100 0.125 0.000 0.767 75 G HN 0.619 nan 8.290 nan 0.000 0.552 76 D N -0.913 119.567 120.400 0.135 0.000 2.149 76 D HA -0.131 4.510 4.640 0.002 0.000 0.198 76 D C 1.867 178.276 176.300 0.181 0.000 0.990 76 D CA 0.806 54.887 54.000 0.135 0.000 0.839 76 D CB -0.246 40.632 40.800 0.129 0.000 0.948 76 D HN 0.447 nan 8.370 nan 0.000 0.460 77 Y N 1.106 121.477 120.300 0.119 0.000 2.153 77 Y HA -0.190 4.361 4.550 0.002 0.000 0.289 77 Y C 2.347 178.348 175.900 0.169 0.000 1.127 77 Y CA 1.829 60.015 58.100 0.143 0.000 1.131 77 Y CB -0.602 37.901 38.460 0.071 0.000 0.995 77 Y HN -0.141 nan 8.280 nan 0.000 0.505 78 T N 1.363 116.078 114.554 0.269 0.000 2.570 78 T HA -0.259 4.093 4.350 0.002 0.000 0.266 78 T C 1.618 176.328 174.700 0.018 0.000 1.071 78 T CA 1.854 64.089 62.100 0.224 0.000 1.172 78 T CB -0.582 68.459 68.868 0.290 0.000 0.864 78 T HN 0.403 nan 8.240 nan 0.000 0.421 79 N N 0.776 119.499 118.700 0.038 0.000 2.247 79 N HA -0.161 4.580 4.740 0.002 0.000 0.189 79 N C 1.894 177.390 175.510 -0.024 0.000 1.009 79 N CA 1.552 54.608 53.050 0.011 0.000 0.872 79 N CB -0.303 38.200 38.487 0.027 0.000 0.980 79 N HN 0.649 nan 8.380 nan 0.000 0.436 80 E N 0.223 120.391 120.200 -0.053 0.000 2.042 80 E HA 0.026 4.377 4.350 0.002 0.000 0.189 80 E C 1.766 178.282 176.600 -0.141 0.000 0.974 80 E CA 0.677 57.034 56.400 -0.071 0.000 0.806 80 E CB 0.014 29.708 29.700 -0.010 0.000 0.769 80 E HN 0.090 nan 8.360 nan 0.000 0.451 81 I N 0.168 120.556 120.570 -0.304 0.000 2.429 81 I HA -0.099 4.072 4.170 0.002 0.000 0.247 81 I C 2.169 178.107 176.117 -0.299 0.000 1.099 81 I CA 0.740 61.849 61.300 -0.318 0.000 1.422 81 I CB -1.212 36.456 38.000 -0.552 0.000 1.112 81 I HN 0.218 nan 8.210 nan 0.000 0.430 82 Y N 3.199 123.185 120.300 -0.524 0.000 2.040 82 Y HA -0.226 4.326 4.550 0.002 0.000 0.275 82 Y C -0.467 175.198 175.900 -0.391 0.000 1.171 82 Y CA 2.552 60.229 58.100 -0.704 0.000 1.123 82 Y CB -1.844 36.096 38.460 -0.868 0.000 0.963 82 Y HN 0.104 nan 8.280 nan 0.000 0.493 83 P HA -0.209 nan 4.420 nan 0.000 0.215 83 P C 1.344 178.508 177.300 -0.226 0.000 1.157 83 P CA 2.373 65.349 63.100 -0.207 0.000 0.868 83 P CB -0.148 31.505 31.700 -0.077 0.000 0.788 84 K N -0.898 119.394 120.400 -0.181 0.000 2.097 84 K HA -0.158 4.163 4.320 0.002 0.000 0.206 84 K C 1.948 178.451 176.600 -0.162 0.000 1.049 84 K CA 1.040 57.243 56.287 -0.140 0.000 0.933 84 K CB -0.648 31.790 32.500 -0.103 0.000 0.717 84 K HN -0.028 nan 8.250 nan 0.000 0.442 85 L N 1.361 122.440 121.223 -0.239 0.000 2.005 85 L HA -0.107 4.234 4.340 0.002 0.000 0.207 85 L C 2.115 178.895 176.870 -0.151 0.000 1.072 85 L CA 1.610 56.316 54.840 -0.223 0.000 0.744 85 L CB -0.515 41.331 42.059 -0.355 0.000 0.895 85 L HN 0.055 nan 8.230 nan 0.000 0.433 86 R N 0.041 120.354 120.500 -0.312 0.000 2.159 86 R HA -0.175 4.166 4.340 0.002 0.000 0.237 86 R C 2.182 178.395 176.300 -0.144 0.000 1.131 86 R CA 1.234 57.182 56.100 -0.252 0.000 0.982 86 R CB -0.607 29.387 30.300 -0.511 0.000 0.868 86 R HN 0.594 nan 8.270 nan 0.000 0.453 87 E N 0.304 120.417 120.200 -0.144 0.000 2.047 87 E HA -0.134 4.217 4.350 0.002 0.000 0.191 87 E C 1.675 178.245 176.600 -0.051 0.000 0.987 87 E CA 1.518 57.864 56.400 -0.090 0.000 0.799 87 E CB 0.009 29.658 29.700 -0.086 0.000 0.752 87 E HN 0.318 nan 8.360 nan 0.000 0.449 88 S N -0.743 114.934 115.700 -0.039 0.000 2.488 88 S HA -0.122 4.349 4.470 0.002 0.000 0.246 88 S C 1.478 176.091 174.600 0.022 0.000 0.992 88 S CA 1.284 59.481 58.200 -0.005 0.000 0.963 88 S CB -0.249 62.952 63.200 0.002 0.000 0.754 88 S HN 0.493 nan 8.310 nan 0.000 0.519 89 G N -0.866 107.945 108.800 0.018 0.000 2.163 89 G HA2 -0.268 3.693 3.960 0.002 0.000 0.213 89 G HA3 -0.268 3.693 3.960 0.002 0.000 0.213 89 G C -0.265 174.669 174.900 0.056 0.000 0.991 89 G CA -0.168 44.941 45.100 0.015 0.000 0.653 89 G HN 0.626 nan 8.290 nan 0.000 0.518 90 W N 1.889 123.128 121.300 -0.102 0.000 2.417 90 W HA 0.509 5.170 4.660 0.002 0.000 0.332 90 W C 0.957 177.410 176.519 -0.109 0.000 1.413 90 W CA 0.550 57.841 57.345 -0.089 0.000 1.299 90 W CB 0.567 29.975 29.460 -0.087 0.000 1.304 90 W HN 0.209 nan 8.180 nan 0.000 0.565 91 Q N 4.398 123.857 119.800 -0.568 0.000 2.188 91 Q HA 0.204 4.545 4.340 0.002 0.000 0.212 91 Q C 0.942 176.343 176.000 -0.999 0.000 0.846 91 Q CA -0.117 55.316 55.803 -0.617 0.000 0.989 91 Q CB 0.153 28.674 28.738 -0.361 0.000 1.114 91 Q HN 0.671 nan 8.270 nan 0.000 0.488 92 G N -0.361 107.299 108.800 -1.900 0.000 2.588 92 G HA2 0.119 4.080 3.960 0.002 0.000 0.278 92 G HA3 0.119 4.080 3.960 0.002 0.000 0.278 92 G C -0.959 173.175 174.900 -1.276 0.000 1.307 92 G CA -0.339 43.777 45.100 -1.641 0.000 1.016 92 G HN 0.226 nan 8.290 nan 0.000 0.503 93 Y N -0.983 119.129 120.300 -0.315 0.000 2.310 93 Y HA 0.353 4.904 4.550 0.002 0.000 0.326 93 Y C -0.089 176.083 175.900 0.454 0.000 1.151 93 Y CA -0.520 57.629 58.100 0.082 0.000 1.195 93 Y CB 1.654 40.202 38.460 0.147 0.000 1.210 93 Y HN 0.473 nan 8.280 nan 0.000 0.483 94 W N 6.943 128.523 121.300 0.467 0.000 2.463 94 W HA 0.521 5.182 4.660 0.002 0.000 0.316 94 W C -2.081 174.612 176.519 0.290 0.000 1.004 94 W CA -1.155 56.465 57.345 0.458 0.000 1.309 94 W CB 0.810 30.614 29.460 0.573 0.000 1.288 94 W HN 0.471 nan 8.180 nan 0.000 0.423 95 I N 5.990 126.578 120.570 0.029 0.000 2.312 95 I HA 0.134 4.305 4.170 0.002 0.000 0.290 95 I C 0.142 176.136 176.117 -0.205 0.000 1.008 95 I CA 0.222 61.530 61.300 0.015 0.000 1.226 95 I CB 1.043 39.042 38.000 -0.002 0.000 1.371 95 I HN 0.181 nan 8.210 nan 0.000 0.468 96 D N 3.898 124.269 120.400 -0.048 0.000 2.374 96 D HA 0.660 5.301 4.640 0.002 0.000 0.239 96 D C 0.109 176.419 176.300 0.015 0.000 0.991 96 D CA -0.437 53.535 54.000 -0.046 0.000 0.960 96 D CB 2.420 43.312 40.800 0.154 0.000 1.284 96 D HN 0.489 nan 8.370 nan 0.000 0.512 97 A N 0.627 123.454 122.820 0.012 0.000 2.287 97 A HA 0.552 4.873 4.320 0.002 0.000 0.214 97 A C 0.680 178.289 177.584 0.041 0.000 1.228 97 A CA 0.405 52.454 52.037 0.019 0.000 0.939 97 A CB 0.125 19.123 19.000 -0.002 0.000 0.992 97 A HN 0.502 nan 8.150 nan 0.000 0.502 98 A N 0.758 123.616 122.820 0.064 0.000 2.388 98 A HA 0.483 4.804 4.320 0.002 0.000 0.257 98 A C 1.564 179.198 177.584 0.083 0.000 1.095 98 A CA 0.371 52.456 52.037 0.080 0.000 0.791 98 A CB 0.204 19.273 19.000 0.115 0.000 1.029 98 A HN 0.961 nan 8.150 nan 0.000 0.489 99 S N 2.306 118.054 115.700 0.080 0.000 2.400 99 S HA -0.181 4.290 4.470 0.002 0.000 0.232 99 S C 1.858 176.507 174.600 0.082 0.000 1.025 99 S CA 1.533 59.786 58.200 0.088 0.000 0.993 99 S CB -0.803 62.460 63.200 0.106 0.000 0.808 99 S HN 0.788 nan 8.310 nan 0.000 0.478 100 S N 3.078 118.822 115.700 0.073 0.000 2.402 100 S HA -0.229 4.242 4.470 0.002 0.000 0.281 100 S C 1.570 176.184 174.600 0.022 0.000 1.097 100 S CA 2.222 60.451 58.200 0.049 0.000 1.368 100 S CB -1.041 62.187 63.200 0.046 0.000 1.255 100 S HN 0.630 nan 8.310 nan 0.000 0.450 101 L N 0.938 122.149 121.223 -0.020 0.000 2.627 101 L HA 0.155 4.496 4.340 0.002 0.000 0.233 101 L C 2.269 179.128 176.870 -0.017 0.000 1.144 101 L CA 0.113 54.912 54.840 -0.068 0.000 0.892 101 L CB -0.419 41.499 42.059 -0.235 0.000 1.039 101 L HN 0.164 nan 8.230 nan 0.000 0.442 102 R N 0.467 120.984 120.500 0.029 0.000 2.103 102 R HA -0.138 4.203 4.340 0.002 0.000 0.234 102 R C 1.558 177.881 176.300 0.038 0.000 1.132 102 R CA 1.492 57.616 56.100 0.040 0.000 0.925 102 R CB -0.173 30.164 30.300 0.063 0.000 0.842 102 R HN 0.234 nan 8.270 nan 0.000 0.430 103 M N 1.424 121.068 119.600 0.073 0.000 2.654 103 M HA 0.065 4.546 4.480 0.002 0.000 0.217 103 M C -0.409 175.925 176.300 0.057 0.000 1.183 103 M CA 0.515 55.863 55.300 0.081 0.000 0.991 103 M CB -0.321 32.383 32.600 0.173 0.000 1.749 103 M HN -0.122 nan 8.290 nan 0.000 0.475 104 K N 0.694 121.110 120.400 0.026 0.000 2.118 104 K HA 0.175 4.497 4.320 0.002 0.000 0.267 104 K C 0.661 177.262 176.600 0.002 0.000 0.991 104 K CA -0.406 55.889 56.287 0.012 0.000 0.916 104 K CB 1.198 33.693 32.500 -0.009 0.000 1.041 104 K HN -0.005 nan 8.250 nan 0.000 0.455 105 D N 1.391 121.796 120.400 0.007 0.000 2.123 105 D HA -0.175 4.466 4.640 0.002 0.000 0.196 105 D C 0.899 177.191 176.300 -0.014 0.000 0.992 105 D CA 1.522 55.523 54.000 0.001 0.000 0.833 105 D CB 0.166 40.969 40.800 0.005 0.000 0.954 105 D HN 0.618 nan 8.370 nan 0.000 0.455 106 D N 0.048 120.442 120.400 -0.010 0.000 2.336 106 D HA 0.113 4.754 4.640 0.002 0.000 0.229 106 D C 0.112 176.371 176.300 -0.069 0.000 1.061 106 D CA -0.046 53.941 54.000 -0.022 0.000 0.875 106 D CB -0.021 40.793 40.800 0.023 0.000 0.904 106 D HN 0.018 nan 8.370 nan 0.000 0.525 107 A N 0.036 122.809 122.820 -0.079 0.000 2.384 107 A HA 0.718 5.040 4.320 0.002 0.000 0.312 107 A C -0.753 176.768 177.584 -0.104 0.000 1.113 107 A CA -0.810 51.153 52.037 -0.123 0.000 0.779 107 A CB 1.536 20.483 19.000 -0.089 0.000 1.307 107 A HN 0.192 nan 8.150 nan 0.000 0.436 108 I N 1.573 122.067 120.570 -0.126 0.000 2.498 108 I HA 0.303 4.474 4.170 0.002 0.000 0.290 108 I C -0.886 175.276 176.117 0.075 0.000 1.032 108 I CA -0.417 60.877 61.300 -0.010 0.000 1.073 108 I CB 1.927 39.955 38.000 0.045 0.000 1.251 108 I HN 0.530 nan 8.210 nan 0.000 0.426 109 I N 6.874 127.483 120.570 0.064 0.000 2.379 109 I HA 0.230 4.401 4.170 0.002 0.000 0.290 109 I C 0.260 176.429 176.117 0.087 0.000 1.063 109 I CA -0.326 61.013 61.300 0.065 0.000 1.351 109 I CB 0.470 38.483 38.000 0.022 0.000 1.410 109 I HN 0.374 nan 8.210 nan 0.000 0.505 110 I N 5.219 125.856 120.570 0.111 0.000 2.396 110 I HA 0.474 4.645 4.170 0.002 0.000 0.292 110 I C -0.573 175.574 176.117 0.050 0.000 0.999 110 I CA -0.590 60.767 61.300 0.094 0.000 1.310 110 I CB 1.636 39.702 38.000 0.110 0.000 1.404 110 I HN 0.422 nan 8.210 nan 0.000 0.496 111 L N 5.763 127.003 121.223 0.029 0.000 2.439 111 L HA 0.209 4.551 4.340 0.002 0.000 0.264 111 L C 0.686 177.556 176.870 -0.001 0.000 1.531 111 L CA 0.225 55.068 54.840 0.004 0.000 0.727 111 L CB 0.105 42.139 42.059 -0.042 0.000 0.952 111 L HN 0.858 nan 8.230 nan 0.000 0.521 112 D N 1.586 122.002 120.400 0.027 0.000 2.569 112 D HA -0.251 4.390 4.640 0.002 0.000 0.191 112 D C -0.984 175.338 176.300 0.037 0.000 1.042 112 D CA 2.711 56.730 54.000 0.033 0.000 0.873 112 D CB -0.304 40.534 40.800 0.063 0.000 0.946 112 D HN 0.355 nan 8.370 nan 0.000 0.467 113 P HA -0.077 nan 4.420 nan 0.000 0.218 113 P C 1.748 179.100 177.300 0.087 0.000 1.148 113 P CA 0.980 64.121 63.100 0.069 0.000 0.822 113 P CB 0.089 31.778 31.700 -0.017 0.000 0.784 114 V N -0.445 119.502 119.914 0.055 0.000 2.685 114 V HA 0.036 4.157 4.120 0.002 0.000 0.244 114 V C 0.993 177.120 176.094 0.055 0.000 1.054 114 V CA 1.489 63.855 62.300 0.110 0.000 1.076 114 V CB -0.770 31.047 31.823 -0.011 0.000 0.725 114 V HN 0.270 nan 8.190 nan 0.000 0.467 115 N N -0.168 118.543 118.700 0.019 0.000 2.646 115 N HA 0.109 4.850 4.740 0.002 0.000 0.303 115 N C 0.781 176.301 175.510 0.016 0.000 1.921 115 N CA -0.268 52.791 53.050 0.016 0.000 0.872 115 N CB 0.688 39.180 38.487 0.008 0.000 1.327 115 N HN 0.165 nan 8.380 nan 0.000 0.492 116 Q N 1.627 121.433 119.800 0.009 0.000 2.061 116 Q HA -0.199 4.142 4.340 0.002 0.000 0.204 116 Q C 0.862 176.865 176.000 0.006 0.000 0.984 116 Q CA 2.511 58.316 55.803 0.002 0.000 0.846 116 Q CB -0.151 28.586 28.738 -0.002 0.000 0.902 116 Q HN 0.555 nan 8.270 nan 0.000 0.421 117 D N -0.497 119.907 120.400 0.007 0.000 2.127 117 D HA -0.195 4.446 4.640 0.002 0.000 0.190 117 D C 1.885 178.200 176.300 0.026 0.000 1.000 117 D CA 1.791 55.798 54.000 0.011 0.000 0.839 117 D CB -1.019 39.786 40.800 0.009 0.000 0.955 117 D HN 0.210 nan 8.370 nan 0.000 0.446 118 V N 0.886 120.818 119.914 0.031 0.000 2.324 118 V HA -0.256 3.865 4.120 0.002 0.000 0.250 118 V C 2.674 178.817 176.094 0.080 0.000 1.060 118 V CA 1.550 63.878 62.300 0.048 0.000 1.042 118 V CB -0.511 31.337 31.823 0.042 0.000 0.650 118 V HN 0.275 nan 8.190 nan 0.000 0.450 119 I N -0.404 120.213 120.570 0.080 0.000 2.099 119 I HA -0.291 3.880 4.170 0.002 0.000 0.239 119 I C 2.554 178.734 176.117 0.105 0.000 1.066 119 I CA 2.220 63.590 61.300 0.116 0.000 1.324 119 I CB -1.085 36.922 38.000 0.013 0.000 1.037 119 I HN 0.324 nan 8.210 nan 0.000 0.401 120 T N 0.420 114.996 114.554 0.037 0.000 2.635 120 T HA -0.220 4.131 4.350 0.002 0.000 0.267 120 T C 1.522 176.259 174.700 0.061 0.000 1.040 120 T CA 1.966 64.083 62.100 0.027 0.000 1.156 120 T CB -0.418 68.454 68.868 0.006 0.000 0.863 120 T HN 0.300 nan 8.240 nan 0.000 0.430 121 D N 0.697 121.131 120.400 0.058 0.000 2.106 121 D HA -0.071 4.570 4.640 0.002 0.000 0.191 121 D C 2.351 178.701 176.300 0.083 0.000 0.997 121 D CA 1.478 55.513 54.000 0.057 0.000 0.834 121 D CB -0.941 39.887 40.800 0.045 0.000 0.956 121 D HN 0.471 nan 8.370 nan 0.000 0.448 122 G N 0.243 109.111 108.800 0.114 0.000 2.450 122 G HA2 -0.226 3.735 3.960 0.002 0.000 0.220 122 G HA3 -0.226 3.735 3.960 0.002 0.000 0.220 122 G C 1.744 176.762 174.900 0.197 0.000 1.130 122 G CA 0.358 45.541 45.100 0.138 0.000 0.760 122 G HN 0.257 nan 8.290 nan 0.000 0.557 123 L N 0.321 121.688 121.223 0.239 0.000 2.027 123 L HA -0.024 4.317 4.340 0.002 0.000 0.206 123 L C 2.285 179.252 176.870 0.162 0.000 1.074 123 L CA 0.828 55.824 54.840 0.261 0.000 0.745 123 L CB -0.222 41.919 42.059 0.137 0.000 0.898 123 L HN 0.135 nan 8.230 nan 0.000 0.433 124 N N -0.382 118.380 118.700 0.103 0.000 2.550 124 N HA -0.132 4.609 4.740 0.002 0.000 0.186 124 N C 1.222 176.769 175.510 0.062 0.000 1.110 124 N CA 0.569 53.662 53.050 0.071 0.000 0.912 124 N CB -0.336 38.180 38.487 0.048 0.000 0.968 124 N HN 0.219 nan 8.380 nan 0.000 0.448 125 N N -0.182 118.560 118.700 0.070 0.000 2.299 125 N HA 0.071 4.812 4.740 0.002 0.000 0.187 125 N C 0.875 176.410 175.510 0.041 0.000 1.099 125 N CA 0.549 53.627 53.050 0.047 0.000 0.867 125 N CB 0.428 38.940 38.487 0.041 0.000 0.974 125 N HN 0.284 nan 8.380 nan 0.000 0.477 126 G N -0.147 108.692 108.800 0.065 0.000 2.184 126 G HA2 -0.187 3.774 3.960 0.002 0.000 0.206 126 G HA3 -0.187 3.774 3.960 0.002 0.000 0.206 126 G C -0.044 174.878 174.900 0.036 0.000 0.995 126 G CA -0.292 44.834 45.100 0.044 0.000 0.651 126 G HN 0.170 nan 8.290 nan 0.000 0.511 127 I N 1.370 121.967 120.570 0.045 0.000 2.683 127 I HA 0.168 4.339 4.170 0.002 0.000 0.286 127 I C 1.331 177.433 176.117 -0.025 0.000 1.175 127 I CA 0.522 61.785 61.300 -0.062 0.000 1.429 127 I CB 0.696 38.598 38.000 -0.164 0.000 1.371 127 I HN 0.146 nan 8.210 nan 0.000 0.569 128 R N 3.244 123.690 120.500 -0.090 0.000 2.476 128 R HA 0.187 4.529 4.340 0.002 0.000 0.276 128 R C -0.192 176.169 176.300 0.102 0.000 0.941 128 R CA 0.072 56.226 56.100 0.089 0.000 1.088 128 R CB 0.381 30.569 30.300 -0.187 0.000 1.216 128 R HN 0.502 nan 8.270 nan 0.000 0.533 129 T N 1.502 115.908 114.554 -0.246 0.000 2.786 129 T HA 0.546 4.897 4.350 0.002 0.000 0.283 129 T C -0.855 173.557 174.700 -0.480 0.000 0.992 129 T CA -0.235 61.814 62.100 -0.085 0.000 0.954 129 T CB 0.845 69.722 68.868 0.014 0.000 0.934 129 T HN -0.110 nan 8.240 nan 0.000 0.440 130 F N 2.318 122.382 119.950 0.189 0.000 2.445 130 F HA 0.567 5.096 4.527 0.002 0.000 0.348 130 F C -0.090 175.760 175.800 0.082 0.000 1.125 130 F CA -0.996 57.065 58.000 0.102 0.000 0.983 130 F CB 1.386 40.421 39.000 0.058 0.000 1.198 130 F HN 0.203 nan 8.300 nan 0.000 0.436 131 V N 2.122 122.145 119.914 0.181 0.000 2.667 131 V HA 0.749 4.870 4.120 0.002 0.000 0.308 131 V C 0.424 176.577 176.094 0.099 0.000 1.048 131 V CA -0.947 61.428 62.300 0.123 0.000 0.928 131 V CB 1.873 33.747 31.823 0.085 0.000 1.004 131 V HN 0.846 nan 8.190 nan 0.000 0.444 132 G N 1.710 110.553 108.800 0.073 0.000 2.420 132 G HA2 0.555 4.517 3.960 0.002 0.000 0.284 132 G HA3 0.555 4.517 3.960 0.002 0.000 0.284 132 G C 0.248 175.175 174.900 0.044 0.000 1.177 132 G CA 0.075 45.208 45.100 0.055 0.000 0.841 132 G HN 1.045 nan 8.290 nan 0.000 0.527 133 G N 0.184 109.003 108.800 0.032 0.000 2.580 133 G HA2 0.321 4.282 3.960 0.002 0.000 0.278 133 G HA3 0.321 4.282 3.960 0.002 0.000 0.278 133 G C 0.268 175.184 174.900 0.026 0.000 1.212 133 G CA -0.626 44.487 45.100 0.021 0.000 0.939 133 G HN 0.722 nan 8.290 nan 0.000 0.513 134 N N -0.953 117.766 118.700 0.031 0.000 2.293 134 N HA -0.081 4.660 4.740 0.002 0.000 0.253 134 N C 1.846 177.380 175.510 0.040 0.000 1.248 134 N CA 0.350 53.427 53.050 0.046 0.000 0.845 134 N CB 0.371 38.894 38.487 0.059 0.000 1.073 134 N HN 0.558 nan 8.380 nan 0.000 0.464 135 C N 0.918 120.237 119.300 0.031 0.000 2.363 135 C HA -0.250 4.211 4.460 0.002 0.000 0.274 135 C C 2.662 177.689 174.990 0.062 0.000 1.183 135 C CA 1.502 60.522 59.018 0.004 0.000 1.771 135 C CB -2.118 25.552 27.740 -0.117 0.000 2.059 135 C HN 0.880 nan 8.230 nan 0.000 0.455 136 T N 0.850 115.489 114.554 0.142 0.000 2.607 136 T HA -0.223 4.128 4.350 0.002 0.000 0.267 136 T C 1.633 176.395 174.700 0.103 0.000 1.049 136 T CA 2.477 64.680 62.100 0.170 0.000 1.162 136 T CB -1.179 67.783 68.868 0.157 0.000 0.863 136 T HN 0.417 nan 8.240 nan 0.000 0.424 137 V N 1.490 121.441 119.914 0.061 0.000 2.255 137 V HA -0.183 3.939 4.120 0.002 0.000 0.247 137 V C 3.110 179.196 176.094 -0.013 0.000 1.051 137 V CA 2.196 64.506 62.300 0.017 0.000 1.018 137 V CB -1.250 30.557 31.823 -0.025 0.000 0.641 137 V HN 0.656 nan 8.190 nan 0.000 0.445 138 S N -0.648 115.047 115.700 -0.008 0.000 2.387 138 S HA -0.196 4.275 4.470 0.002 0.000 0.230 138 S C 1.863 176.443 174.600 -0.034 0.000 1.035 138 S CA 1.872 60.058 58.200 -0.024 0.000 1.014 138 S CB -0.335 62.874 63.200 0.015 0.000 0.836 138 S HN 0.483 nan 8.310 nan 0.000 0.466 139 L N 0.658 121.891 121.223 0.017 0.000 2.072 139 L HA -0.038 4.304 4.340 0.002 0.000 0.205 139 L C 2.667 179.547 176.870 0.015 0.000 1.079 139 L CA 1.473 56.330 54.840 0.028 0.000 0.752 139 L CB -0.482 41.630 42.059 0.087 0.000 0.906 139 L HN 0.433 nan 8.230 nan 0.000 0.436 140 M N 0.121 119.763 119.600 0.069 0.000 2.080 140 M HA -0.255 4.226 4.480 0.002 0.000 0.260 140 M C 2.263 178.530 176.300 -0.056 0.000 1.068 140 M CA 2.011 57.369 55.300 0.096 0.000 1.109 140 M CB -0.163 32.578 32.600 0.235 0.000 1.342 140 M HN 0.212 nan 8.290 nan 0.000 0.405 141 L N -0.172 120.970 121.223 -0.135 0.000 2.131 141 L HA -0.225 4.116 4.340 0.002 0.000 0.210 141 L C 2.630 179.353 176.870 -0.244 0.000 1.092 141 L CA 0.763 55.455 54.840 -0.247 0.000 0.759 141 L CB -0.640 41.238 42.059 -0.303 0.000 0.903 141 L HN 0.422 nan 8.230 nan 0.000 0.435 142 M N -1.131 118.334 119.600 -0.225 0.000 2.254 142 M HA -0.111 4.370 4.480 0.002 0.000 0.265 142 M C 2.394 178.571 176.300 -0.205 0.000 1.066 142 M CA 1.379 56.506 55.300 -0.288 0.000 1.123 142 M CB -0.729 31.616 32.600 -0.425 0.000 1.388 142 M HN 0.126 nan 8.290 nan 0.000 0.425 143 S N 0.253 115.866 115.700 -0.144 0.000 2.371 143 S HA 0.156 4.627 4.470 0.002 0.000 0.221 143 S C 1.596 176.111 174.600 -0.143 0.000 1.036 143 S CA 0.596 58.734 58.200 -0.104 0.000 0.965 143 S CB 0.124 63.287 63.200 -0.062 0.000 0.845 143 S HN 0.394 nan 8.310 nan 0.000 0.475 144 L N 1.328 122.455 121.223 -0.160 0.000 2.791 144 L HA 0.314 4.655 4.340 0.002 0.000 0.239 144 L C 2.011 178.849 176.870 -0.054 0.000 1.203 144 L CA -0.202 54.553 54.840 -0.142 0.000 1.002 144 L CB -0.303 41.644 42.059 -0.187 0.000 1.295 144 L HN 0.313 nan 8.230 nan 0.000 0.504 145 G N 0.699 109.327 108.800 -0.286 0.000 2.440 145 G HA2 -0.244 3.717 3.960 0.002 0.000 0.218 145 G HA3 -0.244 3.717 3.960 0.002 0.000 0.218 145 G C 1.548 176.158 174.900 -0.484 0.000 1.154 145 G CA 0.899 45.617 45.100 -0.636 0.000 0.767 145 G HN 0.490 nan 8.290 nan 0.000 0.552 146 G N 0.841 109.458 108.800 -0.306 0.000 2.442 146 G HA2 -0.174 3.787 3.960 0.002 0.000 0.219 146 G HA3 -0.174 3.787 3.960 0.002 0.000 0.219 146 G C 1.803 176.703 174.900 0.001 0.000 1.141 146 G CA 0.900 46.020 45.100 0.033 0.000 0.763 146 G HN 0.445 nan 8.290 nan 0.000 0.554 147 L N -0.776 120.385 121.223 -0.104 0.000 1.976 147 L HA -0.020 4.321 4.340 0.002 0.000 0.209 147 L C 2.749 179.504 176.870 -0.192 0.000 1.071 147 L CA 1.168 55.877 54.840 -0.218 0.000 0.746 147 L CB -0.632 41.174 42.059 -0.422 0.000 0.890 147 L HN 0.158 nan 8.230 nan 0.000 0.432 148 F N 0.244 120.132 119.950 -0.102 0.000 2.095 148 F HA -0.229 4.299 4.527 0.002 0.000 0.298 148 F C 2.651 178.435 175.800 -0.026 0.000 1.104 148 F CA 1.169 59.128 58.000 -0.068 0.000 1.232 148 F CB -0.965 37.990 39.000 -0.076 0.000 0.987 148 F HN 0.021 nan 8.300 nan 0.000 0.475 149 A N -0.369 122.584 122.820 0.222 0.000 2.194 149 A HA -0.182 4.139 4.320 0.002 0.000 0.220 149 A C 1.613 179.251 177.584 0.090 0.000 1.162 149 A CA 1.762 53.904 52.037 0.175 0.000 0.674 149 A CB -0.649 18.524 19.000 0.288 0.000 0.789 149 A HN 0.462 nan 8.150 nan 0.000 0.470 150 N N -0.789 117.940 118.700 0.048 0.000 2.200 150 N HA 0.056 4.797 4.740 0.002 0.000 0.224 150 N C -0.531 174.968 175.510 -0.020 0.000 1.179 150 N CA 0.486 53.539 53.050 0.005 0.000 0.877 150 N CB 0.530 39.007 38.487 -0.016 0.000 1.072 150 N HN 0.327 nan 8.380 nan 0.000 0.519 151 D N 0.483 120.877 120.400 -0.010 0.000 2.723 151 D HA -0.163 4.478 4.640 0.002 0.000 0.236 151 D C 0.284 176.537 176.300 -0.079 0.000 1.138 151 D CA 0.253 54.237 54.000 -0.026 0.000 0.676 151 D CB -0.933 39.860 40.800 -0.012 0.000 1.069 151 D HN 0.125 nan 8.370 nan 0.000 0.430 152 L N -0.611 120.532 121.223 -0.133 0.000 2.616 152 L HA 0.253 4.594 4.340 0.002 0.000 0.229 152 L C 0.555 177.274 176.870 -0.251 0.000 1.110 152 L CA 0.308 55.043 54.840 -0.176 0.000 0.884 152 L CB 0.698 42.649 42.059 -0.180 0.000 1.115 152 L HN 0.059 nan 8.230 nan 0.000 0.481 153 V N -0.257 119.484 119.914 -0.289 0.000 2.407 153 V HA 0.142 4.263 4.120 0.002 0.000 0.278 153 V C 0.765 176.731 176.094 -0.213 0.000 1.037 153 V CA -0.279 61.812 62.300 -0.348 0.000 0.900 153 V CB 1.641 33.128 31.823 -0.561 0.000 0.983 153 V HN 0.091 nan 8.190 nan 0.000 0.459 154 D N 3.794 124.029 120.400 -0.275 0.000 2.259 154 D HA 0.128 4.769 4.640 0.002 0.000 0.216 154 D C 0.112 176.427 176.300 0.025 0.000 0.961 154 D CA 0.858 54.752 54.000 -0.176 0.000 0.878 154 D CB 0.493 41.092 40.800 -0.335 0.000 1.009 154 D HN 0.658 nan 8.370 nan 0.000 0.490 155 W N -1.190 120.096 121.300 -0.023 0.000 3.064 155 W HA 0.493 5.154 4.660 0.001 0.000 0.328 155 W C -2.084 174.462 176.519 0.044 0.000 1.210 155 W CA -0.926 56.435 57.345 0.026 0.000 1.178 155 W CB 0.256 29.738 29.460 0.038 0.000 1.416 155 W HN -0.416 nan 8.180 nan 0.000 0.568 156 V N 1.604 121.886 119.914 0.613 0.000 2.789 156 V HA 0.574 4.695 4.120 0.002 0.000 0.311 156 V C -0.489 175.931 176.094 0.545 0.000 1.073 156 V CA -0.734 61.876 62.300 0.517 0.000 0.921 156 V CB 1.613 33.665 31.823 0.382 0.000 1.009 156 V HN 0.536 nan 8.190 nan 0.000 0.426 157 S N 2.716 118.724 115.700 0.513 0.000 2.707 157 S HA 0.755 5.226 4.470 0.002 0.000 0.312 157 S C -0.874 173.843 174.600 0.195 0.000 1.116 157 S CA -0.408 57.980 58.200 0.314 0.000 1.078 157 S CB 0.973 64.375 63.200 0.337 0.000 0.997 157 S HN 0.554 nan 8.310 nan 0.000 0.477 158 V N 2.938 122.886 119.914 0.055 0.000 2.769 158 V HA 0.965 5.086 4.120 0.002 0.000 0.312 158 V C 0.108 176.113 176.094 -0.149 0.000 1.058 158 V CA -0.960 61.242 62.300 -0.163 0.000 0.952 158 V CB 1.630 33.299 31.823 -0.257 0.000 1.019 158 V HN 1.005 nan 8.190 nan 0.000 0.445 159 A N 1.693 124.393 122.820 -0.200 0.000 2.499 159 A HA 0.706 5.027 4.320 0.002 0.000 0.280 159 A C -0.053 177.423 177.584 -0.180 0.000 1.135 159 A CA -0.348 51.593 52.037 -0.160 0.000 0.744 159 A CB 0.969 19.921 19.000 -0.082 0.000 1.213 159 A HN 1.018 nan 8.150 nan 0.000 0.434 160 T N -0.735 113.686 114.554 -0.222 0.000 2.882 160 T HA 0.599 4.950 4.350 0.002 0.000 0.287 160 T C -0.687 173.862 174.700 -0.250 0.000 0.992 160 T CA -0.156 61.842 62.100 -0.170 0.000 1.076 160 T CB 0.577 69.344 68.868 -0.169 0.000 0.961 160 T HN 0.365 nan 8.240 nan 0.000 0.490 161 Y N 1.705 121.911 120.300 -0.156 0.000 2.915 161 Y HA 0.302 4.853 4.550 0.002 0.000 0.350 161 Y C 0.755 176.525 175.900 -0.217 0.000 1.061 161 Y CA -1.006 57.029 58.100 -0.108 0.000 1.179 161 Y CB 0.415 38.878 38.460 0.004 0.000 1.180 161 Y HN 0.597 nan 8.280 nan 0.000 0.605 162 Q N 1.615 121.262 119.800 -0.256 0.000 2.288 162 Q HA 0.621 4.962 4.340 0.002 0.000 0.254 162 Q C 0.055 175.937 176.000 -0.196 0.000 0.932 162 Q CA -0.572 54.843 55.803 -0.645 0.000 0.902 162 Q CB 1.710 30.056 28.738 -0.654 0.000 1.203 162 Q HN 0.650 nan 8.270 nan 0.000 0.415 163 A N 1.676 124.529 122.820 0.054 0.000 2.332 163 A HA 0.440 4.762 4.320 0.002 0.000 0.258 163 A C 1.043 178.790 177.584 0.273 0.000 1.087 163 A CA 0.273 52.451 52.037 0.235 0.000 0.802 163 A CB 0.412 19.595 19.000 0.305 0.000 1.042 163 A HN 0.926 nan 8.150 nan 0.000 0.489 164 A N 0.610 123.567 122.820 0.228 0.000 2.019 164 A HA -0.015 4.307 4.320 0.002 0.000 0.219 164 A C 2.125 179.902 177.584 0.321 0.000 1.164 164 A CA 1.999 54.239 52.037 0.339 0.000 0.644 164 A CB -0.801 18.387 19.000 0.314 0.000 0.805 164 A HN 0.863 nan 8.150 nan 0.000 0.449 165 S N -0.141 115.688 115.700 0.215 0.000 2.469 165 S HA -0.048 4.423 4.470 0.002 0.000 0.238 165 S C 1.888 176.536 174.600 0.080 0.000 0.998 165 S CA 0.797 59.074 58.200 0.128 0.000 0.957 165 S CB -0.431 62.819 63.200 0.082 0.000 0.764 165 S HN 0.769 nan 8.310 nan 0.000 0.514 166 G N 1.530 110.419 108.800 0.149 0.000 2.422 166 G HA2 -0.012 3.950 3.960 0.002 0.000 0.218 166 G HA3 -0.012 3.950 3.960 0.002 0.000 0.218 166 G C 1.274 176.168 174.900 -0.009 0.000 1.140 166 G CA 0.662 45.819 45.100 0.096 0.000 0.775 166 G HN 0.570 nan 8.290 nan 0.000 0.545 167 G N -0.489 108.267 108.800 -0.073 0.000 2.813 167 G HA2 0.448 4.409 3.960 0.002 0.000 0.209 167 G HA3 0.448 4.409 3.960 0.002 0.000 0.209 167 G C 0.811 175.244 174.900 -0.778 0.000 1.150 167 G CA 0.649 45.377 45.100 -0.620 0.000 0.785 167 G HN 1.334 nan 8.290 nan 0.000 0.535 168 G N -1.848 106.796 108.800 -0.261 0.000 2.462 168 G HA2 0.343 4.304 3.960 0.002 0.000 0.685 168 G HA3 0.343 4.304 3.960 0.002 0.000 0.685 168 G C 0.835 175.745 174.900 0.016 0.000 1.295 168 G CA 0.095 45.125 45.100 -0.116 0.000 0.941 168 G HN 0.976 nan 8.290 nan 0.000 0.554 169 A N -0.019 122.819 122.820 0.030 0.000 1.841 169 A HA -0.053 4.268 4.320 0.002 0.000 0.216 169 A C 2.413 180.041 177.584 0.073 0.000 1.199 169 A CA 2.578 54.644 52.037 0.049 0.000 0.621 169 A CB -0.626 18.390 19.000 0.027 0.000 0.835 169 A HN 1.013 nan 8.150 nan 0.000 0.445 170 R N -1.275 119.269 120.500 0.074 0.000 2.133 170 R HA -0.216 4.125 4.340 0.002 0.000 0.247 170 R C 2.064 178.356 176.300 -0.013 0.000 1.151 170 R CA 1.995 58.113 56.100 0.030 0.000 0.971 170 R CB -0.649 29.656 30.300 0.009 0.000 0.866 170 R HN 0.749 nan 8.270 nan 0.000 0.447 171 H N -0.384 118.597 119.070 -0.148 0.000 2.326 171 H HA -0.060 4.498 4.556 0.002 0.000 0.301 171 H C 1.964 177.332 175.328 0.066 0.000 1.081 171 H CA 1.801 57.705 56.048 -0.240 0.000 1.334 171 H CB -0.197 29.361 29.762 -0.340 0.000 1.385 171 H HN 0.155 nan 8.280 nan 0.000 0.504 172 M N 0.657 120.385 119.600 0.214 0.000 2.059 172 M HA -0.180 4.301 4.480 0.002 0.000 0.259 172 M C 2.004 178.379 176.300 0.126 0.000 1.072 172 M CA 1.737 57.147 55.300 0.182 0.000 1.117 172 M CB 0.080 32.757 32.600 0.128 0.000 1.320 172 M HN 0.049 nan 8.290 nan 0.000 0.408 173 R N 0.022 120.570 120.500 0.080 0.000 2.139 173 R HA -0.211 4.130 4.340 0.002 0.000 0.243 173 R C 2.293 178.613 176.300 0.034 0.000 1.145 173 R CA 1.984 58.112 56.100 0.046 0.000 0.976 173 R CB -0.696 29.620 30.300 0.026 0.000 0.866 173 R HN 0.643 nan 8.270 nan 0.000 0.449 174 E N 0.901 121.124 120.200 0.038 0.000 2.028 174 E HA -0.203 4.148 4.350 0.002 0.000 0.191 174 E C 1.988 178.632 176.600 0.073 0.000 0.988 174 E CA 0.960 57.376 56.400 0.027 0.000 0.799 174 E CB -0.009 29.693 29.700 0.003 0.000 0.755 174 E HN 0.174 nan 8.360 nan 0.000 0.447 175 L N 1.107 122.428 121.223 0.163 0.000 1.971 175 L HA -0.222 4.120 4.340 0.002 0.000 0.215 175 L C 2.317 179.227 176.870 0.065 0.000 1.072 175 L CA 1.692 56.611 54.840 0.132 0.000 0.758 175 L CB -0.545 41.612 42.059 0.163 0.000 0.889 175 L HN 0.217 nan 8.230 nan 0.000 0.433 176 L N -0.878 120.384 121.223 0.065 0.000 2.043 176 L HA -0.286 4.055 4.340 0.002 0.000 0.212 176 L C 2.447 179.329 176.870 0.020 0.000 1.075 176 L CA 2.070 56.936 54.840 0.044 0.000 0.752 176 L CB -0.981 41.105 42.059 0.045 0.000 0.891 176 L HN 0.381 nan 8.230 nan 0.000 0.432 177 T N -1.259 113.285 114.554 -0.016 0.000 2.708 177 T HA -0.230 4.121 4.350 0.002 0.000 0.266 177 T C 1.876 176.463 174.700 -0.189 0.000 1.037 177 T CA 1.260 63.301 62.100 -0.098 0.000 1.146 177 T CB -0.153 68.625 68.868 -0.149 0.000 0.865 177 T HN 0.371 nan 8.240 nan 0.000 0.435 178 Q N 0.139 119.855 119.800 -0.140 0.000 2.135 178 Q HA -0.094 4.247 4.340 0.002 0.000 0.204 178 Q C 2.399 178.409 176.000 0.017 0.000 0.981 178 Q CA 1.310 57.054 55.803 -0.097 0.000 0.856 178 Q CB -0.276 28.450 28.738 -0.020 0.000 0.902 178 Q HN 0.525 nan 8.270 nan 0.000 0.425 179 M N -0.454 119.169 119.600 0.038 0.000 2.065 179 M HA -0.173 4.309 4.480 0.002 0.000 0.259 179 M C 2.221 178.608 176.300 0.144 0.000 1.069 179 M CA 1.804 57.153 55.300 0.082 0.000 1.110 179 M CB -0.645 31.992 32.600 0.062 0.000 1.328 179 M HN 0.372 nan 8.290 nan 0.000 0.405 180 G N -1.089 107.799 108.800 0.146 0.000 2.446 180 G HA2 -0.267 3.694 3.960 0.002 0.000 0.217 180 G HA3 -0.267 3.694 3.960 0.002 0.000 0.217 180 G C 1.013 176.117 174.900 0.340 0.000 1.168 180 G CA 1.205 46.447 45.100 0.238 0.000 0.771 180 G HN 0.427 nan 8.290 nan 0.000 0.551 181 H N 0.254 119.389 119.070 0.107 0.000 2.352 181 H HA 0.030 4.587 4.556 0.002 0.000 0.299 181 H C 2.695 178.078 175.328 0.093 0.000 1.097 181 H CA 0.981 57.080 56.048 0.084 0.000 1.311 181 H CB -0.534 29.256 29.762 0.046 0.000 1.377 181 H HN 0.240 nan 8.280 nan 0.000 0.504 182 L N -0.758 120.604 121.223 0.233 0.000 1.970 182 L HA -0.268 4.073 4.340 0.002 0.000 0.212 182 L C 2.401 179.380 176.870 0.181 0.000 1.071 182 L CA 1.919 56.859 54.840 0.167 0.000 0.751 182 L CB -0.667 41.475 42.059 0.138 0.000 0.889 182 L HN 0.299 nan 8.230 nan 0.000 0.432 183 Y N 0.831 121.192 120.300 0.101 0.000 2.070 183 Y HA -0.243 4.308 4.550 0.002 0.000 0.280 183 Y C 2.335 178.285 175.900 0.084 0.000 1.148 183 Y CA 1.701 59.850 58.100 0.081 0.000 1.125 183 Y CB -1.042 37.458 38.460 0.067 0.000 0.975 183 Y HN 0.121 nan 8.280 nan 0.000 0.492 184 G N -0.138 108.619 108.800 -0.072 0.000 2.624 184 G HA2 -0.433 3.528 3.960 0.002 0.000 0.221 184 G HA3 -0.433 3.528 3.960 0.002 0.000 0.221 184 G C 1.756 176.543 174.900 -0.188 0.000 1.169 184 G CA 1.461 46.448 45.100 -0.189 0.000 0.771 184 G HN 0.706 nan 8.290 nan 0.000 0.598 185 H N 0.388 119.371 119.070 -0.145 0.000 2.518 185 H HA -0.036 4.521 4.556 0.002 0.000 0.294 185 H C 1.601 176.846 175.328 -0.139 0.000 1.083 185 H CA 1.502 57.482 56.048 -0.114 0.000 1.264 185 H CB 0.197 29.925 29.762 -0.057 0.000 1.370 185 H HN 0.370 nan 8.280 nan 0.000 0.560 186 V N -3.358 116.428 119.914 -0.213 0.000 3.017 186 V HA 0.489 4.610 4.120 0.002 0.000 0.354 186 V C 1.656 177.557 176.094 -0.322 0.000 1.389 186 V CA 0.293 62.456 62.300 -0.229 0.000 1.163 186 V CB 0.008 31.772 31.823 -0.099 0.000 1.178 186 V HN 0.279 nan 8.190 nan 0.000 0.547 187 A N 0.420 122.938 122.820 -0.503 0.000 1.933 187 A HA -0.155 4.166 4.320 0.002 0.000 0.218 187 A C 1.780 179.240 177.584 -0.207 0.000 1.175 187 A CA 2.410 54.101 52.037 -0.575 0.000 0.628 187 A CB -0.448 18.209 19.000 -0.573 0.000 0.814 187 A HN 0.558 nan 8.150 nan 0.000 0.444 188 D N -0.680 119.620 120.400 -0.166 0.000 2.103 188 D HA -0.051 4.590 4.640 0.002 0.000 0.199 188 D C 1.974 178.232 176.300 -0.069 0.000 0.978 188 D CA 1.272 55.217 54.000 -0.092 0.000 0.829 188 D CB -0.168 40.577 40.800 -0.092 0.000 0.981 188 D HN 0.479 nan 8.370 nan 0.000 0.464 189 E N -0.168 119.980 120.200 -0.087 0.000 2.118 189 E HA -0.090 4.262 4.350 0.002 0.000 0.195 189 E C 2.081 178.664 176.600 -0.028 0.000 0.992 189 E CA 0.503 56.870 56.400 -0.056 0.000 0.804 189 E CB -0.053 29.609 29.700 -0.063 0.000 0.741 189 E HN 0.290 nan 8.360 nan 0.000 0.458 190 L N -0.252 120.953 121.223 -0.029 0.000 2.217 190 L HA -0.040 4.301 4.340 0.002 0.000 0.211 190 L C 2.283 179.174 176.870 0.035 0.000 1.107 190 L CA 0.751 55.604 54.840 0.022 0.000 0.783 190 L CB -0.407 41.694 42.059 0.070 0.000 0.919 190 L HN 0.180 nan 8.230 nan 0.000 0.442 191 A N -0.266 122.566 122.820 0.019 0.000 2.019 191 A HA -0.126 4.196 4.320 0.002 0.000 0.219 191 A C 1.396 178.990 177.584 0.016 0.000 1.164 191 A CA 1.611 53.664 52.037 0.026 0.000 0.644 191 A CB -0.713 18.295 19.000 0.013 0.000 0.805 191 A HN 0.443 nan 8.150 nan 0.000 0.449 192 T N -2.161 112.396 114.554 0.005 0.000 3.016 192 T HA 0.459 4.810 4.350 0.002 0.000 0.335 192 T C -1.731 172.974 174.700 0.008 0.000 1.176 192 T CA -1.745 60.357 62.100 0.004 0.000 0.987 192 T CB 1.373 70.238 68.868 -0.005 0.000 1.073 192 T HN 0.171 nan 8.240 nan 0.000 0.547 193 P HA -0.012 nan 4.420 nan 0.000 0.231 193 P C 1.124 178.430 177.300 0.011 0.000 1.158 193 P CA 0.420 63.529 63.100 0.015 0.000 0.763 193 P CB 0.301 32.012 31.700 0.018 0.000 0.805 194 S N -0.809 114.895 115.700 0.007 0.000 2.517 194 S HA 0.085 4.556 4.470 0.002 0.000 0.214 194 S C 0.887 175.488 174.600 0.003 0.000 0.991 194 S CA -0.230 57.973 58.200 0.005 0.000 0.906 194 S CB -0.366 62.836 63.200 0.004 0.000 0.789 194 S HN 0.275 nan 8.310 nan 0.000 0.513 195 S N 1.719 117.419 115.700 0.001 0.000 2.580 195 S HA 0.553 5.024 4.470 0.002 0.000 0.266 195 S C 0.374 174.974 174.600 -0.001 0.000 1.354 195 S CA -0.372 57.826 58.200 -0.003 0.000 1.008 195 S CB 0.542 63.736 63.200 -0.009 0.000 0.898 195 S HN 0.471 nan 8.310 nan 0.000 0.555 196 A N 0.712 123.530 122.820 -0.002 0.000 2.511 196 A HA 0.335 4.656 4.320 0.002 0.000 0.242 196 A C 0.950 178.535 177.584 0.002 0.000 1.069 196 A CA -0.519 51.518 52.037 0.000 0.000 0.763 196 A CB -0.441 18.558 19.000 -0.001 0.000 1.001 196 A HN 0.936 nan 8.150 nan 0.000 0.498 197 I N 2.334 122.907 120.570 0.006 0.000 2.353 197 I HA -0.157 4.014 4.170 0.002 0.000 0.248 197 I C 1.952 178.076 176.117 0.011 0.000 1.119 197 I CA 1.158 62.464 61.300 0.010 0.000 1.417 197 I CB -0.090 37.917 38.000 0.012 0.000 1.078 197 I HN 0.757 nan 8.210 nan 0.000 0.421 198 L N 0.056 121.285 121.223 0.009 0.000 2.083 198 L HA -0.238 4.103 4.340 0.002 0.000 0.209 198 L C 2.067 178.943 176.870 0.010 0.000 1.083 198 L CA 1.505 56.352 54.840 0.010 0.000 0.752 198 L CB -0.910 41.154 42.059 0.008 0.000 0.899 198 L HN 0.287 nan 8.230 nan 0.000 0.433 199 D N 0.270 120.672 120.400 0.005 0.000 2.104 199 D HA -0.203 4.438 4.640 0.002 0.000 0.194 199 D C 2.200 178.502 176.300 0.002 0.000 0.994 199 D CA 1.367 55.367 54.000 -0.000 0.000 0.830 199 D CB -0.144 40.649 40.800 -0.011 0.000 0.959 199 D HN 0.334 nan 8.370 nan 0.000 0.452 200 I N 0.664 121.235 120.570 0.002 0.000 2.202 200 I HA -0.255 3.916 4.170 0.002 0.000 0.242 200 I C 2.469 178.604 176.117 0.030 0.000 1.091 200 I CA 1.029 62.334 61.300 0.008 0.000 1.368 200 I CB -0.271 37.734 38.000 0.009 0.000 1.058 200 I HN -0.036 nan 8.210 nan 0.000 0.410 201 E N 1.958 122.175 120.200 0.028 0.000 2.023 201 E HA -0.297 4.054 4.350 0.002 0.000 0.196 201 E C 2.229 178.852 176.600 0.038 0.000 1.003 201 E CA 1.808 58.227 56.400 0.032 0.000 0.809 201 E CB -0.403 29.311 29.700 0.024 0.000 0.755 201 E HN 0.227 nan 8.360 nan 0.000 0.449 202 R N 0.216 120.736 120.500 0.034 0.000 2.096 202 R HA -0.175 4.166 4.340 0.002 0.000 0.240 202 R C 2.325 178.663 176.300 0.063 0.000 1.139 202 R CA 2.058 58.181 56.100 0.038 0.000 0.952 202 R CB -0.162 30.156 30.300 0.030 0.000 0.854 202 R HN 0.106 nan 8.270 nan 0.000 0.436 203 K N 0.003 120.456 120.400 0.088 0.000 2.152 203 K HA -0.124 4.197 4.320 0.002 0.000 0.206 203 K C 1.998 178.733 176.600 0.225 0.000 1.048 203 K CA 1.799 58.203 56.287 0.194 0.000 0.933 203 K CB -0.020 32.556 32.500 0.127 0.000 0.721 203 K HN 0.308 nan 8.250 nan 0.000 0.447 204 V N -2.504 117.486 119.914 0.126 0.000 2.725 204 V HA -0.024 4.097 4.120 0.002 0.000 0.247 204 V C 1.958 178.069 176.094 0.027 0.000 1.058 204 V CA 1.184 63.531 62.300 0.079 0.000 1.080 204 V CB -0.582 31.286 31.823 0.075 0.000 0.713 204 V HN 0.036 nan 8.190 nan 0.000 0.465 205 T N 0.634 115.206 114.554 0.030 0.000 2.904 205 T HA -0.108 4.244 4.350 0.002 0.000 0.267 205 T C 1.928 176.627 174.700 -0.000 0.000 1.059 205 T CA 2.116 64.225 62.100 0.015 0.000 1.137 205 T CB -0.368 68.511 68.868 0.018 0.000 0.879 205 T HN 0.604 nan 8.240 nan 0.000 0.467 206 T N 2.162 116.714 114.554 -0.002 0.000 2.770 206 T HA 0.022 4.373 4.350 0.002 0.000 0.263 206 T C 1.879 176.539 174.700 -0.067 0.000 1.039 206 T CA 0.647 62.735 62.100 -0.021 0.000 1.142 206 T CB -0.401 68.467 68.868 0.000 0.000 0.868 206 T HN 0.103 nan 8.240 nan 0.000 0.435 207 L N 1.171 122.313 121.223 -0.135 0.000 1.990 207 L HA -0.152 4.189 4.340 0.002 0.000 0.213 207 L C 2.541 179.368 176.870 -0.072 0.000 1.072 207 L CA 1.977 56.709 54.840 -0.180 0.000 0.755 207 L CB -1.239 40.663 42.059 -0.260 0.000 0.889 207 L HN 0.236 nan 8.230 nan 0.000 0.432 208 T N -0.376 114.155 114.554 -0.038 0.000 2.622 208 T HA -0.241 4.111 4.350 0.002 0.000 0.266 208 T C 1.916 176.609 174.700 -0.011 0.000 1.047 208 T CA 1.852 63.945 62.100 -0.012 0.000 1.159 208 T CB -0.360 68.507 68.868 -0.002 0.000 0.863 208 T HN 0.343 nan 8.240 nan 0.000 0.422 209 R N 1.654 122.147 120.500 -0.013 0.000 2.200 209 R HA -0.013 4.328 4.340 0.002 0.000 0.234 209 R C 1.317 177.610 176.300 -0.011 0.000 1.127 209 R CA 0.712 56.807 56.100 -0.009 0.000 0.989 209 R CB -0.332 29.964 30.300 -0.007 0.000 0.869 209 R HN 0.453 nan 8.270 nan 0.000 0.459 210 S N -0.731 114.956 115.700 -0.021 0.000 2.554 210 S HA 0.257 4.728 4.470 0.002 0.000 0.278 210 S C 1.008 175.601 174.600 -0.011 0.000 1.242 210 S CA -0.595 57.593 58.200 -0.020 0.000 1.051 210 S CB 1.983 65.161 63.200 -0.037 0.000 0.986 210 S HN 0.207 nan 8.310 nan 0.000 0.502 211 G N 1.522 110.319 108.800 -0.004 0.000 3.028 211 G HA2 0.023 3.984 3.960 0.002 0.000 0.205 211 G HA3 0.023 3.984 3.960 0.002 0.000 0.205 211 G C 0.854 175.761 174.900 0.012 0.000 1.182 211 G CA -0.204 44.898 45.100 0.004 0.000 0.860 211 G HN 0.843 nan 8.290 nan 0.000 0.507 212 E N -0.274 119.932 120.200 0.010 0.000 2.358 212 E HA 0.052 4.403 4.350 0.002 0.000 0.195 212 E C 0.816 177.465 176.600 0.082 0.000 1.010 212 E CA 0.035 56.453 56.400 0.030 0.000 0.856 212 E CB 0.315 30.015 29.700 -0.001 0.000 0.795 212 E HN 0.405 nan 8.360 nan 0.000 0.504 213 L N 3.750 125.010 121.223 0.061 0.000 2.331 213 L HA 0.163 4.504 4.340 0.002 0.000 0.278 213 L C -2.031 174.857 176.870 0.030 0.000 1.106 213 L CA -1.918 52.962 54.840 0.065 0.000 0.824 213 L CB 0.632 42.713 42.059 0.037 0.000 1.142 213 L HN -0.196 nan 8.230 nan 0.000 0.443 214 P HA -0.012 nan 4.420 nan 0.000 0.269 214 P C 0.025 177.324 177.300 -0.003 0.000 1.263 214 P CA 0.100 63.189 63.100 -0.020 0.000 0.813 214 P CB 0.603 32.262 31.700 -0.069 0.000 0.868 215 V N -0.147 119.772 119.914 0.009 0.000 2.909 215 V HA 0.211 4.332 4.120 0.002 0.000 0.362 215 V C 0.923 177.014 176.094 -0.004 0.000 1.356 215 V CA -0.145 62.176 62.300 0.035 0.000 1.195 215 V CB 0.064 31.918 31.823 0.052 0.000 1.256 215 V HN 0.161 nan 8.190 nan 0.000 0.567 216 D N 1.899 122.269 120.400 -0.051 0.000 2.117 216 D HA -0.143 4.498 4.640 0.002 0.000 0.197 216 D C 1.499 177.705 176.300 -0.156 0.000 0.987 216 D CA 1.883 55.834 54.000 -0.081 0.000 0.829 216 D CB 0.119 40.871 40.800 -0.080 0.000 0.961 216 D HN 0.632 nan 8.370 nan 0.000 0.460 217 N N -0.646 117.865 118.700 -0.315 0.000 2.412 217 N HA 0.005 4.747 4.740 0.002 0.000 0.184 217 N C 1.012 176.069 175.510 -0.755 0.000 1.101 217 N CA 0.270 52.912 53.050 -0.680 0.000 0.881 217 N CB 0.321 38.071 38.487 -1.228 0.000 0.969 217 N HN 0.234 nan 8.380 nan 0.000 0.459 218 F N -0.575 119.269 119.950 -0.176 0.000 2.789 218 F HA 0.257 4.785 4.527 0.002 0.000 0.320 218 F C 1.837 177.626 175.800 -0.018 0.000 1.079 218 F CA 0.045 58.012 58.000 -0.055 0.000 1.205 218 F CB 0.916 39.898 39.000 -0.031 0.000 1.046 218 F HN 0.034 nan 8.300 nan 0.000 0.586 219 G N 1.005 109.880 108.800 0.124 0.000 2.396 219 G HA2 -0.301 3.660 3.960 0.002 0.000 0.242 219 G HA3 -0.301 3.660 3.960 0.002 0.000 0.242 219 G C 0.081 175.023 174.900 0.069 0.000 1.069 219 G CA 0.386 45.529 45.100 0.073 0.000 0.633 219 G HN 0.643 nan 8.290 nan 0.000 0.517 220 V N -3.149 116.825 119.914 0.101 0.000 3.114 220 V HA 0.857 4.978 4.120 0.002 0.000 0.308 220 V C -2.763 173.361 176.094 0.050 0.000 1.168 220 V CA -2.438 59.895 62.300 0.055 0.000 1.015 220 V CB 1.894 33.736 31.823 0.031 0.000 1.050 220 V HN 0.106 nan 8.190 nan 0.000 0.433 221 P HA 0.298 nan 4.420 nan 0.000 0.268 221 P C -0.048 177.219 177.300 -0.056 0.000 1.205 221 P CA 0.096 63.197 63.100 0.002 0.000 0.771 221 P CB 0.971 32.673 31.700 0.003 0.000 0.858 222 L N 3.008 124.175 121.223 -0.094 0.000 2.766 222 L HA 0.341 4.682 4.340 0.002 0.000 0.241 222 L C 2.025 178.839 176.870 -0.094 0.000 1.080 222 L CA 1.148 55.878 54.840 -0.183 0.000 0.909 222 L CB -0.985 40.798 42.059 -0.460 0.000 1.277 222 L HN 0.325 nan 8.230 nan 0.000 0.510 223 A N 0.437 123.234 122.820 -0.039 0.000 1.894 223 A HA -0.199 4.122 4.320 0.002 0.000 0.220 223 A C 1.868 179.454 177.584 0.005 0.000 1.237 223 A CA 2.111 54.148 52.037 -0.001 0.000 0.660 223 A CB -1.576 17.438 19.000 0.024 0.000 0.835 223 A HN 0.540 nan 8.150 nan 0.000 0.461 224 G N -1.889 106.914 108.800 0.006 0.000 3.605 224 G HA2 0.458 4.419 3.960 0.002 0.000 0.277 224 G HA3 0.458 4.419 3.960 0.002 0.000 0.277 224 G C 0.275 175.176 174.900 0.001 0.000 1.093 224 G CA 1.125 46.233 45.100 0.013 0.000 0.821 224 G HN 1.153 nan 8.290 nan 0.000 0.532 225 S N -0.738 114.951 115.700 -0.018 0.000 3.287 225 S HA 0.825 5.296 4.470 0.002 0.000 0.324 225 S C -1.237 173.335 174.600 -0.047 0.000 1.205 225 S CA -0.378 57.807 58.200 -0.024 0.000 1.020 225 S CB 1.104 64.290 63.200 -0.023 0.000 1.398 225 S HN 0.807 nan 8.310 nan 0.000 0.679 226 L N -1.582 119.608 121.223 -0.054 0.000 2.600 226 L HA 0.862 5.203 4.340 0.002 0.000 0.257 226 L C -1.686 175.145 176.870 -0.065 0.000 1.048 226 L CA -0.943 53.851 54.840 -0.076 0.000 0.869 226 L CB 1.059 43.079 42.059 -0.066 0.000 1.482 226 L HN 0.726 nan 8.230 nan 0.000 0.408 227 I N 0.494 121.024 120.570 -0.067 0.000 2.468 227 I HA 0.460 4.632 4.170 0.002 0.000 0.285 227 I C -2.012 174.117 176.117 0.019 0.000 1.039 227 I CA -1.148 60.146 61.300 -0.009 0.000 1.074 227 I CB 2.455 40.454 38.000 -0.001 0.000 1.228 227 I HN 0.529 nan 8.210 nan 0.000 0.436 228 P HA -0.022 nan 4.420 nan 0.000 0.252 228 P C -0.831 176.532 177.300 0.105 0.000 1.265 228 P CA 0.605 63.728 63.100 0.038 0.000 0.775 228 P CB -0.030 31.698 31.700 0.047 0.000 1.128 229 W N 0.716 122.008 121.300 -0.013 0.000 3.036 229 W HA 0.235 4.896 4.660 0.002 0.000 0.337 229 W C -0.256 176.284 176.519 0.035 0.000 1.055 229 W CA -0.544 56.807 57.345 0.011 0.000 1.248 229 W CB 1.469 30.939 29.460 0.016 0.000 1.335 229 W HN -0.284 nan 8.180 nan 0.000 0.446 230 I N 1.299 122.013 120.570 0.239 0.000 2.834 230 I HA -0.008 4.163 4.170 0.002 0.000 0.239 230 I C 1.139 177.428 176.117 0.288 0.000 1.073 230 I CA 0.855 62.292 61.300 0.228 0.000 1.459 230 I CB -0.913 37.160 38.000 0.121 0.000 1.288 230 I HN 0.214 nan 8.210 nan 0.000 0.455 231 D N 1.037 121.595 120.400 0.264 0.000 2.478 231 D HA 0.139 4.780 4.640 0.002 0.000 0.274 231 D C 0.238 176.735 176.300 0.329 0.000 1.234 231 D CA -0.310 53.837 54.000 0.245 0.000 1.069 231 D CB 1.208 42.116 40.800 0.179 0.000 1.113 231 D HN -0.163 nan 8.370 nan 0.000 0.571 232 K N 0.228 120.752 120.400 0.207 0.000 2.229 232 K HA -0.055 4.266 4.320 0.002 0.000 0.250 232 K C 0.264 177.036 176.600 0.287 0.000 1.016 232 K CA 0.059 56.444 56.287 0.163 0.000 0.866 232 K CB 0.086 32.627 32.500 0.069 0.000 1.028 232 K HN 0.427 nan 8.250 nan 0.000 0.514 233 Q N 1.512 121.418 119.800 0.176 0.000 2.274 233 Q HA 0.253 4.594 4.340 0.002 0.000 0.256 233 Q C -0.665 175.414 176.000 0.132 0.000 0.927 233 Q CA -0.340 55.618 55.803 0.258 0.000 0.939 233 Q CB 0.628 29.391 28.738 0.042 0.000 1.201 233 Q HN 0.369 nan 8.270 nan 0.000 0.426 234 L N 2.709 124.014 121.223 0.136 0.000 2.454 234 L HA 0.184 4.526 4.340 0.002 0.000 0.256 234 L C 0.782 177.663 176.870 0.019 0.000 1.136 234 L CA -0.722 54.118 54.840 0.000 0.000 0.804 234 L CB 0.612 42.623 42.059 -0.081 0.000 1.181 234 L HN 0.750 nan 8.230 nan 0.000 0.469 235 D N 0.164 120.547 120.400 -0.028 0.000 2.403 235 D HA -0.070 4.571 4.640 0.002 0.000 0.227 235 D C 0.227 176.537 176.300 0.017 0.000 0.995 235 D CA 0.528 54.524 54.000 -0.007 0.000 0.928 235 D CB -0.125 40.659 40.800 -0.026 0.000 0.887 235 D HN 0.511 nan 8.370 nan 0.000 0.529 236 N N -2.227 116.492 118.700 0.031 0.000 2.906 236 N HA 0.269 5.010 4.740 0.002 0.000 0.327 236 N C 1.191 176.747 175.510 0.076 0.000 1.344 236 N CA -0.459 52.619 53.050 0.048 0.000 0.823 236 N CB -0.047 38.470 38.487 0.051 0.000 1.351 236 N HN -0.206 nan 8.380 nan 0.000 0.604 237 G N -1.787 107.051 108.800 0.063 0.000 2.848 237 G HA2 -0.065 3.896 3.960 0.002 0.000 0.208 237 G HA3 -0.065 3.896 3.960 0.002 0.000 0.208 237 G C 0.281 175.189 174.900 0.013 0.000 1.152 237 G CA 0.106 45.248 45.100 0.069 0.000 0.789 237 G HN 0.586 nan 8.290 nan 0.000 0.531 238 Q N 0.711 120.522 119.800 0.019 0.000 2.260 238 Q HA 0.428 4.769 4.340 0.002 0.000 0.242 238 Q C 0.039 176.019 176.000 -0.033 0.000 0.932 238 Q CA -0.412 55.372 55.803 -0.031 0.000 0.891 238 Q CB 1.041 29.826 28.738 0.078 0.000 1.222 238 Q HN 0.269 nan 8.270 nan 0.000 0.453 239 S N 1.870 117.451 115.700 -0.198 0.000 2.508 239 S HA 0.245 4.716 4.470 0.002 0.000 0.284 239 S C 0.675 175.305 174.600 0.050 0.000 1.192 239 S CA -0.742 57.373 58.200 -0.143 0.000 1.070 239 S CB 1.717 64.446 63.200 -0.785 0.000 1.004 239 S HN 0.876 nan 8.310 nan 0.000 0.493 240 R N 1.400 121.984 120.500 0.140 0.000 2.140 240 R HA -0.247 4.095 4.340 0.002 0.000 0.250 240 R C 1.934 178.383 176.300 0.249 0.000 1.150 240 R CA 2.324 58.519 56.100 0.159 0.000 0.966 240 R CB -0.506 29.853 30.300 0.098 0.000 0.869 240 R HN 0.865 nan 8.270 nan 0.000 0.445 241 E N 0.230 120.522 120.200 0.154 0.000 2.110 241 E HA -0.194 4.157 4.350 0.002 0.000 0.193 241 E C 1.549 178.207 176.600 0.096 0.000 0.988 241 E CA 1.944 58.419 56.400 0.125 0.000 0.804 241 E CB 0.066 29.813 29.700 0.077 0.000 0.745 241 E HN 0.531 nan 8.360 nan 0.000 0.458 242 E N -0.928 119.302 120.200 0.049 0.000 2.072 242 E HA -0.123 4.228 4.350 0.002 0.000 0.190 242 E C 1.553 178.207 176.600 0.090 0.000 0.982 242 E CA 1.030 57.441 56.400 0.018 0.000 0.803 242 E CB -0.414 29.248 29.700 -0.063 0.000 0.755 242 E HN 0.448 nan 8.360 nan 0.000 0.453 243 W N 2.320 123.599 121.300 -0.035 0.000 2.364 243 W HA -0.195 4.466 4.660 0.002 0.000 0.281 243 W C 1.388 177.910 176.519 0.006 0.000 1.219 243 W CA 1.379 58.718 57.345 -0.010 0.000 1.220 243 W CB 0.158 29.619 29.460 0.001 0.000 1.127 243 W HN -0.118 nan 8.180 nan 0.000 0.556 244 K N -0.041 120.405 120.400 0.075 0.000 2.147 244 K HA -0.088 4.233 4.320 0.002 0.000 0.205 244 K C 2.416 178.868 176.600 -0.246 0.000 1.049 244 K CA 1.243 57.433 56.287 -0.162 0.000 0.936 244 K CB -0.880 31.671 32.500 0.086 0.000 0.722 244 K HN 0.340 nan 8.250 nan 0.000 0.446 245 G N 1.436 110.156 108.800 -0.133 0.000 2.514 245 G HA2 -0.355 3.606 3.960 0.002 0.000 0.217 245 G HA3 -0.355 3.606 3.960 0.002 0.000 0.217 245 G C 1.426 176.240 174.900 -0.143 0.000 1.198 245 G CA 0.914 45.959 45.100 -0.092 0.000 0.780 245 G HN 0.330 nan 8.290 nan 0.000 0.565 246 Q N -0.077 119.607 119.800 -0.194 0.000 2.049 246 Q HA 0.044 4.386 4.340 0.002 0.000 0.198 246 Q C 2.951 178.789 176.000 -0.270 0.000 0.971 246 Q CA 1.313 57.009 55.803 -0.179 0.000 0.833 246 Q CB -0.280 28.369 28.738 -0.148 0.000 0.896 246 Q HN 0.410 nan 8.270 nan 0.000 0.434 247 A N 1.314 123.829 122.820 -0.508 0.000 1.851 247 A HA -0.257 4.064 4.320 0.002 0.000 0.216 247 A C 1.828 179.220 177.584 -0.318 0.000 1.195 247 A CA 1.908 53.635 52.037 -0.517 0.000 0.622 247 A CB -0.713 17.659 19.000 -1.046 0.000 0.831 247 A HN 0.522 nan 8.150 nan 0.000 0.444 248 E N -1.026 118.987 120.200 -0.312 0.000 2.106 248 E HA -0.125 4.226 4.350 0.002 0.000 0.192 248 E C 2.102 178.611 176.600 -0.152 0.000 0.984 248 E CA 1.457 57.749 56.400 -0.181 0.000 0.806 248 E CB -0.443 29.174 29.700 -0.139 0.000 0.750 248 E HN 0.593 nan 8.360 nan 0.000 0.458 249 T N 1.568 116.020 114.554 -0.170 0.000 2.720 249 T HA -0.136 4.215 4.350 0.002 0.000 0.268 249 T C 1.611 176.214 174.700 -0.163 0.000 1.037 249 T CA 1.181 63.164 62.100 -0.194 0.000 1.144 249 T CB -0.207 68.551 68.868 -0.183 0.000 0.864 249 T HN 0.201 nan 8.240 nan 0.000 0.444 250 N N 0.507 119.137 118.700 -0.116 0.000 2.270 250 N HA -0.047 4.694 4.740 0.002 0.000 0.181 250 N C 1.962 177.434 175.510 -0.063 0.000 1.016 250 N CA 0.815 53.822 53.050 -0.072 0.000 0.870 250 N CB -0.050 38.406 38.487 -0.051 0.000 0.979 250 N HN 0.401 nan 8.380 nan 0.000 0.431 251 K N 1.802 122.157 120.400 -0.075 0.000 2.001 251 K HA -0.000 4.321 4.320 0.002 0.000 0.208 251 K C 2.049 178.624 176.600 -0.042 0.000 1.048 251 K CA 0.816 57.074 56.287 -0.049 0.000 0.932 251 K CB -0.133 32.337 32.500 -0.050 0.000 0.715 251 K HN -0.012 nan 8.250 nan 0.000 0.437 252 I N 1.083 121.616 120.570 -0.062 0.000 2.099 252 I HA -0.309 3.862 4.170 0.002 0.000 0.239 252 I C 2.158 178.243 176.117 -0.053 0.000 1.066 252 I CA 1.433 62.700 61.300 -0.056 0.000 1.324 252 I CB -0.309 37.636 38.000 -0.091 0.000 1.037 252 I HN 0.198 nan 8.210 nan 0.000 0.401 253 L N 0.121 121.294 121.223 -0.083 0.000 2.376 253 L HA -0.099 4.242 4.340 0.002 0.000 0.219 253 L C 0.604 177.462 176.870 -0.020 0.000 1.133 253 L CA 0.409 55.213 54.840 -0.060 0.000 0.816 253 L CB -0.776 41.229 42.059 -0.090 0.000 0.933 253 L HN 0.464 nan 8.230 nan 0.000 0.449 254 N N 0.665 119.354 118.700 -0.019 0.000 2.727 254 N HA -0.158 4.583 4.740 0.002 0.000 0.251 254 N C 0.213 175.725 175.510 0.004 0.000 1.040 254 N CA 0.732 53.780 53.050 -0.003 0.000 0.712 254 N CB -0.692 37.799 38.487 0.006 0.000 0.912 254 N HN 0.459 nan 8.380 nan 0.000 0.545 255 T N -2.795 111.761 114.554 0.003 0.000 2.918 255 T HA 0.332 4.683 4.350 0.002 0.000 0.302 255 T C 1.417 176.127 174.700 0.017 0.000 1.045 255 T CA 0.037 62.148 62.100 0.017 0.000 1.114 255 T CB 1.340 70.223 68.868 0.025 0.000 0.965 255 T HN 0.238 nan 8.240 nan 0.000 0.540 256 S N 1.598 117.311 115.700 0.022 0.000 2.436 256 S HA 0.127 4.598 4.470 0.002 0.000 0.228 256 S C 0.756 175.368 174.600 0.021 0.000 1.014 256 S CA 0.049 58.260 58.200 0.019 0.000 0.950 256 S CB -0.182 63.029 63.200 0.018 0.000 0.784 256 S HN 0.996 nan 8.310 nan 0.000 0.504 257 S N 0.646 116.362 115.700 0.026 0.000 2.548 257 S HA 0.542 5.013 4.470 0.002 0.000 0.276 257 S C -0.609 174.013 174.600 0.037 0.000 1.129 257 S CA -0.971 57.246 58.200 0.030 0.000 0.931 257 S CB 1.574 64.793 63.200 0.031 0.000 1.068 257 S HN -0.008 nan 8.310 nan 0.000 0.480 258 V N 2.933 122.867 119.914 0.034 0.000 2.625 258 V HA -0.010 4.111 4.120 0.002 0.000 0.305 258 V C 0.106 176.237 176.094 0.063 0.000 1.055 258 V CA 0.558 62.880 62.300 0.036 0.000 1.209 258 V CB -0.506 31.334 31.823 0.028 0.000 0.877 258 V HN 0.790 nan 8.190 nan 0.000 0.489 259 I N 8.246 128.864 120.570 0.081 0.000 2.291 259 I HA 0.275 4.447 4.170 0.002 0.000 0.290 259 I C -2.090 174.115 176.117 0.146 0.000 1.050 259 I CA -1.972 59.407 61.300 0.133 0.000 1.245 259 I CB 1.499 39.612 38.000 0.188 0.000 1.405 259 I HN 0.469 nan 8.210 nan 0.000 0.478 260 P HA -0.028 nan 4.420 nan 0.000 0.256 260 P C -0.897 176.521 177.300 0.197 0.000 1.173 260 P CA 0.325 63.513 63.100 0.147 0.000 0.768 260 P CB 0.248 32.031 31.700 0.137 0.000 0.758 261 V N 4.496 124.482 119.914 0.120 0.000 2.531 261 V HA 0.592 4.713 4.120 0.002 0.000 0.301 261 V C -0.186 175.948 176.094 0.065 0.000 1.034 261 V CA -0.206 62.177 62.300 0.138 0.000 0.865 261 V CB 2.237 34.128 31.823 0.114 0.000 0.995 261 V HN 0.443 nan 8.190 nan 0.000 0.424 262 D N 1.545 121.990 120.400 0.075 0.000 2.653 262 D HA 0.784 5.425 4.640 0.002 0.000 0.258 262 D C -0.077 176.229 176.300 0.011 0.000 1.252 262 D CA 0.794 54.804 54.000 0.016 0.000 0.777 262 D CB 2.529 43.317 40.800 -0.021 0.000 1.339 262 D HN 0.892 nan 8.370 nan 0.000 0.422 263 G N -0.410 108.370 108.800 -0.034 0.000 2.404 263 G HA2 0.380 4.341 3.960 0.002 0.000 0.253 263 G HA3 0.380 4.341 3.960 0.002 0.000 0.253 263 G C -2.005 172.833 174.900 -0.103 0.000 1.253 263 G CA -0.645 44.421 45.100 -0.056 0.000 0.917 263 G HN 0.445 nan 8.290 nan 0.000 0.480 264 L N 0.122 121.270 121.223 -0.125 0.000 2.376 264 L HA 0.563 4.905 4.340 0.002 0.000 0.275 264 L C -0.492 176.272 176.870 -0.178 0.000 0.987 264 L CA -0.614 54.126 54.840 -0.166 0.000 0.828 264 L CB 2.123 44.086 42.059 -0.161 0.000 1.249 264 L HN 0.615 nan 8.230 nan 0.000 0.409 265 C N 3.670 122.862 119.300 -0.180 0.000 2.246 265 C HA 0.647 5.108 4.460 0.002 0.000 0.329 265 C C 0.364 175.261 174.990 -0.155 0.000 1.221 265 C CA -0.815 58.110 59.018 -0.156 0.000 1.697 265 C CB 0.158 27.835 27.740 -0.105 0.000 2.312 265 C HN 0.475 nan 8.230 nan 0.000 0.509 266 V N 4.043 123.845 119.914 -0.187 0.000 2.628 266 V HA 0.537 4.658 4.120 0.002 0.000 0.306 266 V C 0.030 176.035 176.094 -0.150 0.000 1.045 266 V CA -0.789 61.411 62.300 -0.167 0.000 0.905 266 V CB 1.820 33.503 31.823 -0.234 0.000 0.997 266 V HN 0.791 nan 8.190 nan 0.000 0.436 267 R N 2.670 123.111 120.500 -0.098 0.000 2.265 267 R HA 0.712 5.053 4.340 0.002 0.000 0.319 267 R C -0.628 175.602 176.300 -0.116 0.000 1.006 267 R CA -0.255 55.788 56.100 -0.094 0.000 0.880 267 R CB 1.395 31.650 30.300 -0.075 0.000 1.077 267 R HN 0.759 nan 8.270 nan 0.000 0.454 268 V N 1.092 120.958 119.914 -0.080 0.000 3.164 268 V HA 0.662 4.784 4.120 0.002 0.000 0.313 268 V C 0.823 176.899 176.094 -0.030 0.000 1.188 268 V CA -0.355 61.918 62.300 -0.045 0.000 1.058 268 V CB 1.542 33.385 31.823 0.034 0.000 1.110 268 V HN 0.762 nan 8.190 nan 0.000 0.453 269 G N -0.127 108.670 108.800 -0.005 0.000 2.807 269 G HA2 0.303 4.265 3.960 0.002 0.000 0.207 269 G HA3 0.303 4.265 3.960 0.002 0.000 0.207 269 G C 0.641 175.571 174.900 0.050 0.000 1.151 269 G CA 0.435 45.542 45.100 0.012 0.000 0.800 269 G HN 1.510 nan 8.290 nan 0.000 0.523 270 A N -0.267 122.595 122.820 0.069 0.000 2.511 270 A HA 0.435 4.756 4.320 0.002 0.000 0.242 270 A C 1.355 179.003 177.584 0.106 0.000 1.069 270 A CA -0.256 51.839 52.037 0.095 0.000 0.763 270 A CB 0.467 19.538 19.000 0.118 0.000 1.001 270 A HN 0.265 nan 8.150 nan 0.000 0.498 271 L N 0.970 122.253 121.223 0.100 0.000 2.068 271 L HA 0.029 4.370 4.340 0.002 0.000 0.204 271 L C 2.575 179.513 176.870 0.114 0.000 1.076 271 L CA 1.864 56.764 54.840 0.101 0.000 0.753 271 L CB -0.074 42.032 42.059 0.078 0.000 0.910 271 L HN 0.949 nan 8.230 nan 0.000 0.439 272 R N -2.677 117.891 120.500 0.112 0.000 2.646 272 R HA 0.181 4.522 4.340 0.002 0.000 0.226 272 R C 0.048 176.421 176.300 0.122 0.000 0.928 272 R CA -0.123 56.038 56.100 0.103 0.000 1.010 272 R CB 0.459 30.800 30.300 0.068 0.000 1.516 272 R HN 0.152 nan 8.270 nan 0.000 0.621 273 C N 1.705 121.091 119.300 0.144 0.000 2.365 273 C HA 0.490 4.951 4.460 0.002 0.000 0.351 273 C C -0.671 174.487 174.990 0.280 0.000 1.240 273 C CA -0.506 58.611 59.018 0.165 0.000 2.062 273 C CB 0.624 28.436 27.740 0.120 0.000 2.387 273 C HN 0.394 nan 8.230 nan 0.000 0.537 274 H N 1.217 120.320 119.070 0.055 0.000 2.597 274 H HA 0.411 4.968 4.556 0.002 0.000 0.303 274 H C -0.069 175.266 175.328 0.011 0.000 1.057 274 H CA 0.225 56.303 56.048 0.050 0.000 1.261 274 H CB 0.827 30.617 29.762 0.047 0.000 1.397 274 H HN 0.653 nan 8.280 nan 0.000 0.461 275 S N 3.543 119.267 115.700 0.039 0.000 2.549 275 S HA 0.593 5.065 4.470 0.002 0.000 0.297 275 S C -0.408 174.070 174.600 -0.204 0.000 1.115 275 S CA -1.050 57.050 58.200 -0.167 0.000 1.059 275 S CB 1.947 65.028 63.200 -0.199 0.000 1.046 275 S HN 0.559 nan 8.310 nan 0.000 0.506 276 Q N 0.452 119.959 119.800 -0.489 0.000 2.331 276 Q HA 0.666 5.007 4.340 0.002 0.000 0.272 276 Q C -1.414 174.255 176.000 -0.551 0.000 1.062 276 Q CA -0.820 54.726 55.803 -0.428 0.000 0.806 276 Q CB 2.362 30.812 28.738 -0.481 0.000 1.312 276 Q HN 0.788 nan 8.270 nan 0.000 0.431 277 A N 2.695 125.392 122.820 -0.204 0.000 2.258 277 A HA 0.730 5.051 4.320 0.002 0.000 0.316 277 A C -1.205 176.323 177.584 -0.094 0.000 1.279 277 A CA -0.327 51.807 52.037 0.163 0.000 0.876 277 A CB 0.067 19.351 19.000 0.472 0.000 1.170 277 A HN 0.555 nan 8.150 nan 0.000 0.520 278 F N 0.598 120.646 119.950 0.163 0.000 2.450 278 F HA 0.657 5.185 4.527 0.002 0.000 0.328 278 F C 0.917 176.798 175.800 0.136 0.000 1.068 278 F CA -0.384 57.694 58.000 0.131 0.000 1.007 278 F CB 2.297 41.349 39.000 0.087 0.000 1.251 278 F HN 0.343 nan 8.300 nan 0.000 0.492 279 T N 2.607 117.378 114.554 0.360 0.000 3.296 279 T HA 0.435 4.787 4.350 0.002 0.000 0.333 279 T C -0.484 174.368 174.700 0.254 0.000 1.280 279 T CA -0.298 61.973 62.100 0.284 0.000 1.558 279 T CB -0.278 68.764 68.868 0.292 0.000 0.929 279 T HN 0.242 nan 8.240 nan 0.000 0.596 280 I N 2.046 122.672 120.570 0.093 0.000 2.472 280 I HA 0.449 4.621 4.170 0.002 0.000 0.290 280 I C 0.352 176.216 176.117 -0.423 0.000 1.016 280 I CA -0.789 60.418 61.300 -0.155 0.000 1.348 280 I CB 1.106 38.998 38.000 -0.181 0.000 1.417 280 I HN 0.151 nan 8.210 nan 0.000 0.521 281 K N 6.935 126.772 120.400 -0.937 0.000 2.316 281 K HA 0.530 4.851 4.320 0.002 0.000 0.267 281 K C -1.153 174.994 176.600 -0.755 0.000 1.025 281 K CA -0.301 55.329 56.287 -1.095 0.000 0.896 281 K CB 0.577 31.883 32.500 -1.990 0.000 1.124 281 K HN 0.496 nan 8.250 nan 0.000 0.451 282 L N 4.592 125.490 121.223 -0.542 0.000 2.418 282 L HA 0.290 4.631 4.340 0.002 0.000 0.265 282 L C 1.239 177.909 176.870 -0.334 0.000 1.143 282 L CA -0.462 54.148 54.840 -0.384 0.000 0.809 282 L CB 0.875 42.759 42.059 -0.292 0.000 1.124 282 L HN 0.689 nan 8.230 nan 0.000 0.456 283 K N 1.003 121.257 120.400 -0.244 0.000 2.103 283 K HA 0.013 4.334 4.320 0.002 0.000 0.204 283 K C -0.055 176.453 176.600 -0.152 0.000 1.052 283 K CA 1.102 57.283 56.287 -0.176 0.000 0.945 283 K CB 0.008 32.432 32.500 -0.126 0.000 0.722 283 K HN 0.513 nan 8.250 nan 0.000 0.443 284 K N 0.729 121.038 120.400 -0.151 0.000 2.444 284 K HA 0.143 4.464 4.320 0.002 0.000 0.252 284 K C -1.246 175.274 176.600 -0.133 0.000 0.993 284 K CA -0.875 55.339 56.287 -0.122 0.000 0.847 284 K CB 1.399 33.845 32.500 -0.091 0.000 1.340 284 K HN -0.237 nan 8.250 nan 0.000 0.446 285 D N 1.886 122.222 120.400 -0.107 0.000 2.470 285 D HA 0.120 4.761 4.640 0.002 0.000 0.226 285 D C -0.792 175.458 176.300 -0.082 0.000 1.196 285 D CA -0.233 53.708 54.000 -0.098 0.000 0.979 285 D CB 0.044 40.800 40.800 -0.073 0.000 1.059 285 D HN 0.183 nan 8.370 nan 0.000 0.515 286 V N 3.264 123.122 119.914 -0.094 0.000 2.498 286 V HA 0.203 4.324 4.120 0.002 0.000 0.279 286 V C 0.865 176.920 176.094 -0.066 0.000 1.048 286 V CA -0.830 61.422 62.300 -0.080 0.000 0.967 286 V CB 1.143 32.910 31.823 -0.094 0.000 0.988 286 V HN 0.667 nan 8.190 nan 0.000 0.473 287 S N 5.178 120.848 115.700 -0.051 0.000 2.562 287 S HA 0.155 4.626 4.470 0.002 0.000 0.281 287 S C 1.292 175.868 174.600 -0.041 0.000 1.333 287 S CA -0.042 58.135 58.200 -0.040 0.000 1.052 287 S CB 0.450 63.631 63.200 -0.032 0.000 0.884 287 S HN 0.775 nan 8.310 nan 0.000 0.506 288 I N 2.517 123.067 120.570 -0.033 0.000 2.264 288 I HA -0.026 4.145 4.170 0.002 0.000 0.248 288 I C -1.111 174.988 176.117 -0.029 0.000 1.111 288 I CA 0.997 62.279 61.300 -0.031 0.000 1.382 288 I CB -0.992 36.996 38.000 -0.019 0.000 1.060 288 I HN 0.519 nan 8.210 nan 0.000 0.418 289 P HA -0.101 nan 4.420 nan 0.000 0.217 289 P C 1.626 178.910 177.300 -0.026 0.000 1.150 289 P CA 1.706 64.793 63.100 -0.022 0.000 0.832 289 P CB -0.165 31.524 31.700 -0.019 0.000 0.787 290 T N -0.661 113.874 114.554 -0.032 0.000 2.737 290 T HA -0.092 4.259 4.350 0.002 0.000 0.265 290 T C 1.873 176.549 174.700 -0.041 0.000 1.038 290 T CA 1.201 63.279 62.100 -0.035 0.000 1.144 290 T CB -1.085 67.759 68.868 -0.041 0.000 0.866 290 T HN -0.134 nan 8.240 nan 0.000 0.434 291 V N 1.746 121.630 119.914 -0.050 0.000 2.231 291 V HA -0.253 3.868 4.120 0.002 0.000 0.248 291 V C 2.527 178.592 176.094 -0.049 0.000 1.054 291 V CA 1.929 64.192 62.300 -0.062 0.000 1.015 291 V CB -0.674 31.106 31.823 -0.072 0.000 0.638 291 V HN 0.564 nan 8.190 nan 0.000 0.444 292 E N -0.426 119.752 120.200 -0.037 0.000 2.070 292 E HA -0.302 4.049 4.350 0.002 0.000 0.197 292 E C 2.307 178.893 176.600 -0.022 0.000 1.004 292 E CA 1.565 57.949 56.400 -0.027 0.000 0.805 292 E CB -0.216 29.473 29.700 -0.018 0.000 0.744 292 E HN 0.675 nan 8.360 nan 0.000 0.451 293 E N 0.684 120.871 120.200 -0.023 0.000 2.110 293 E HA -0.201 4.150 4.350 0.002 0.000 0.193 293 E C 2.140 178.731 176.600 -0.015 0.000 0.988 293 E CA 0.706 57.095 56.400 -0.019 0.000 0.804 293 E CB 0.048 29.736 29.700 -0.021 0.000 0.745 293 E HN 0.218 nan 8.360 nan 0.000 0.458 294 L N 0.359 121.571 121.223 -0.018 0.000 1.988 294 L HA -0.197 4.144 4.340 0.002 0.000 0.207 294 L C 2.620 179.498 176.870 0.013 0.000 1.071 294 L CA 0.844 55.680 54.840 -0.006 0.000 0.744 294 L CB -0.463 41.582 42.059 -0.022 0.000 0.893 294 L HN 0.215 nan 8.230 nan 0.000 0.433 295 L N -0.147 121.067 121.223 -0.014 0.000 2.043 295 L HA -0.271 4.070 4.340 0.002 0.000 0.212 295 L C 2.788 179.666 176.870 0.014 0.000 1.075 295 L CA 1.482 56.311 54.840 -0.018 0.000 0.752 295 L CB -0.815 41.215 42.059 -0.048 0.000 0.891 295 L HN 0.296 nan 8.230 nan 0.000 0.432 296 A N -0.414 122.409 122.820 0.005 0.000 1.968 296 A HA 0.067 4.388 4.320 0.002 0.000 0.217 296 A C 2.300 179.886 177.584 0.004 0.000 1.169 296 A CA 1.222 53.261 52.037 0.002 0.000 0.638 296 A CB -0.464 18.530 19.000 -0.010 0.000 0.812 296 A HN 0.379 nan 8.150 nan 0.000 0.446 297 A N -1.761 121.066 122.820 0.012 0.000 2.238 297 A HA 0.063 4.384 4.320 0.002 0.000 0.208 297 A C 1.753 179.346 177.584 0.015 0.000 1.177 297 A CA 0.879 52.915 52.037 -0.002 0.000 0.804 297 A CB -0.729 18.265 19.000 -0.010 0.000 0.823 297 A HN 0.697 nan 8.150 nan 0.000 0.482 298 H N 1.133 120.179 119.070 -0.040 0.000 2.370 298 H HA 0.037 4.595 4.556 0.002 0.000 0.304 298 H C -0.262 175.047 175.328 -0.031 0.000 1.055 298 H CA 1.659 57.689 56.048 -0.029 0.000 1.373 298 H CB 0.266 30.017 29.762 -0.020 0.000 1.423 298 H HN 0.695 nan 8.280 nan 0.000 0.533 299 N N -0.882 117.908 118.700 0.151 0.000 2.446 299 N HA 0.153 4.894 4.740 0.002 0.000 0.272 299 N C -2.454 173.001 175.510 -0.092 0.000 1.127 299 N CA -1.307 51.782 53.050 0.064 0.000 0.896 299 N CB 1.806 40.478 38.487 0.309 0.000 1.658 299 N HN -0.232 nan 8.380 nan 0.000 0.483 300 P HA -0.139 nan 4.420 nan 0.000 0.224 300 P C -0.037 176.928 177.300 -0.560 0.000 1.142 300 P CA 1.275 64.019 63.100 -0.593 0.000 0.778 300 P CB 0.054 31.201 31.700 -0.922 0.000 0.764 301 W N -0.329 120.997 121.300 0.043 0.000 2.872 301 W HA 0.382 5.043 4.660 0.002 0.000 0.266 301 W C 0.816 177.339 176.519 0.006 0.000 1.276 301 W CA -0.230 57.154 57.345 0.065 0.000 1.471 301 W CB -0.423 29.103 29.460 0.109 0.000 1.071 301 W HN -0.117 nan 8.180 nan 0.000 0.619 302 A N 2.600 125.505 122.820 0.142 0.000 2.475 302 A HA 0.181 4.502 4.320 0.002 0.000 0.293 302 A C 0.139 177.749 177.584 0.043 0.000 1.252 302 A CA 0.394 52.470 52.037 0.065 0.000 0.920 302 A CB -0.416 18.603 19.000 0.030 0.000 1.125 302 A HN 0.115 nan 8.150 nan 0.000 0.528 303 K N 3.598 124.031 120.400 0.055 0.000 2.307 303 K HA 0.499 4.820 4.320 0.002 0.000 0.263 303 K C -1.219 175.401 176.600 0.034 0.000 0.973 303 K CA -0.500 55.812 56.287 0.041 0.000 0.846 303 K CB 1.242 33.777 32.500 0.059 0.000 1.100 303 K HN 0.360 nan 8.250 nan 0.000 0.438 304 V N 4.985 124.911 119.914 0.020 0.000 2.461 304 V HA 0.144 4.265 4.120 0.002 0.000 0.275 304 V C -0.096 176.014 176.094 0.026 0.000 1.047 304 V CA -0.651 61.660 62.300 0.019 0.000 0.955 304 V CB 1.320 33.147 31.823 0.005 0.000 0.988 304 V HN 0.512 nan 8.190 nan 0.000 0.471 305 V N 8.454 128.391 119.914 0.038 0.000 2.439 305 V HA 0.369 4.490 4.120 0.002 0.000 0.282 305 V C -1.826 174.287 176.094 0.033 0.000 1.039 305 V CA -1.650 60.674 62.300 0.040 0.000 0.913 305 V CB 1.698 33.556 31.823 0.058 0.000 0.983 305 V HN 0.772 nan 8.190 nan 0.000 0.460 306 P HA 0.092 nan 4.420 nan 0.000 0.272 306 P C -0.302 177.009 177.300 0.018 0.000 1.223 306 P CA -0.391 62.719 63.100 0.017 0.000 0.784 306 P CB 0.560 32.267 31.700 0.012 0.000 0.923 307 N N 1.361 120.069 118.700 0.014 0.000 3.167 307 N HA 0.009 4.750 4.740 0.002 0.000 0.318 307 N C -0.740 174.772 175.510 0.003 0.000 1.268 307 N CA 0.355 53.411 53.050 0.010 0.000 1.197 307 N CB -1.198 37.294 38.487 0.009 0.000 1.464 307 N HN 0.334 nan 8.380 nan 0.000 0.555 308 D N -0.717 119.686 120.400 0.004 0.000 2.217 308 D HA 0.214 4.855 4.640 0.002 0.000 0.243 308 D C 1.117 177.414 176.300 -0.005 0.000 1.054 308 D CA -0.558 53.442 54.000 0.000 0.000 0.838 308 D CB 1.145 41.947 40.800 0.004 0.000 1.162 308 D HN 0.014 nan 8.370 nan 0.000 0.472 309 R N 2.650 123.144 120.500 -0.009 0.000 2.096 309 R HA -0.130 4.211 4.340 0.002 0.000 0.235 309 R C 0.982 177.275 176.300 -0.011 0.000 1.127 309 R CA 1.289 57.380 56.100 -0.015 0.000 0.968 309 R CB 0.172 30.462 30.300 -0.016 0.000 0.861 309 R HN 0.587 nan 8.270 nan 0.000 0.440 310 E N 0.670 120.867 120.200 -0.005 0.000 2.006 310 E HA -0.153 4.198 4.350 0.002 0.000 0.192 310 E C 2.189 178.791 176.600 0.004 0.000 0.993 310 E CA 1.177 57.576 56.400 -0.001 0.000 0.808 310 E CB -0.382 29.319 29.700 0.002 0.000 0.764 310 E HN 0.368 nan 8.360 nan 0.000 0.449 311 I N 1.346 121.920 120.570 0.007 0.000 2.151 311 I HA -0.306 3.865 4.170 0.002 0.000 0.243 311 I C 2.474 178.602 176.117 0.018 0.000 1.080 311 I CA 1.553 62.862 61.300 0.014 0.000 1.339 311 I CB -0.915 37.094 38.000 0.015 0.000 1.039 311 I HN 0.111 nan 8.210 nan 0.000 0.409 312 T N 1.043 115.604 114.554 0.012 0.000 2.665 312 T HA -0.234 4.117 4.350 0.002 0.000 0.268 312 T C 1.918 176.624 174.700 0.010 0.000 1.035 312 T CA 1.695 63.803 62.100 0.013 0.000 1.151 312 T CB -0.255 68.606 68.868 -0.011 0.000 0.862 312 T HN 0.290 nan 8.240 nan 0.000 0.438 313 M N 0.059 119.658 119.600 -0.002 0.000 2.159 313 M HA -0.034 4.447 4.480 0.002 0.000 0.263 313 M C 2.444 178.752 176.300 0.014 0.000 1.063 313 M CA 1.497 56.796 55.300 -0.002 0.000 1.110 313 M CB -0.247 32.349 32.600 -0.007 0.000 1.374 313 M HN 0.003 nan 8.290 nan 0.000 0.411 314 R N -0.028 120.483 120.500 0.017 0.000 2.240 314 R HA -0.027 4.314 4.340 0.002 0.000 0.203 314 R C 1.332 177.652 176.300 0.034 0.000 1.011 314 R CA 0.888 57.002 56.100 0.023 0.000 1.007 314 R CB 0.223 30.535 30.300 0.019 0.000 0.911 314 R HN 0.500 nan 8.270 nan 0.000 0.468 315 E N -1.460 118.765 120.200 0.041 0.000 2.502 315 E HA 0.029 4.380 4.350 0.002 0.000 0.206 315 E C -0.220 176.424 176.600 0.074 0.000 0.821 315 E CA -0.232 56.200 56.400 0.054 0.000 1.354 315 E CB 0.086 29.817 29.700 0.051 0.000 1.336 315 E HN -0.029 nan 8.360 nan 0.000 0.675 316 L N 2.562 123.836 121.223 0.084 0.000 2.672 316 L HA 0.258 4.599 4.340 0.002 0.000 0.238 316 L C -0.581 176.377 176.870 0.147 0.000 1.392 316 L CA 0.722 55.643 54.840 0.135 0.000 1.238 316 L CB -0.039 42.121 42.059 0.169 0.000 1.548 316 L HN -0.028 nan 8.230 nan 0.000 0.423 317 T N -0.493 114.128 114.554 0.111 0.000 2.956 317 T HA 0.393 4.744 4.350 0.002 0.000 0.312 317 T C -2.217 172.536 174.700 0.089 0.000 1.151 317 T CA -1.300 60.859 62.100 0.099 0.000 1.024 317 T CB 1.876 70.782 68.868 0.063 0.000 1.140 317 T HN -0.033 nan 8.240 nan 0.000 0.473 318 P HA -0.112 nan 4.420 nan 0.000 0.216 318 P C 1.368 178.711 177.300 0.071 0.000 1.154 318 P CA 1.786 64.938 63.100 0.086 0.000 0.865 318 P CB 0.003 31.758 31.700 0.092 0.000 0.789 319 A N -0.372 122.485 122.820 0.062 0.000 2.024 319 A HA -0.121 4.200 4.320 0.002 0.000 0.220 319 A C 2.168 179.782 177.584 0.050 0.000 1.164 319 A CA 2.086 54.154 52.037 0.051 0.000 0.643 319 A CB -1.413 17.613 19.000 0.043 0.000 0.806 319 A HN 0.255 nan 8.150 nan 0.000 0.451 320 A N -1.064 121.789 122.820 0.055 0.000 2.308 320 A HA 0.411 4.733 4.320 0.002 0.000 0.217 320 A C 1.609 179.231 177.584 0.063 0.000 1.216 320 A CA 0.985 53.055 52.037 0.055 0.000 0.864 320 A CB -0.120 18.912 19.000 0.054 0.000 0.902 320 A HN 0.809 nan 8.150 nan 0.000 0.499 321 V N -4.311 115.645 119.914 0.069 0.000 3.137 321 V HA 0.099 4.220 4.120 0.002 0.000 0.236 321 V C 0.963 177.098 176.094 0.068 0.000 1.260 321 V CA 0.484 62.830 62.300 0.078 0.000 1.244 321 V CB -1.404 30.473 31.823 0.090 0.000 1.016 321 V HN 0.137 nan 8.190 nan 0.000 0.477 322 T N 3.102 117.694 114.554 0.063 0.000 2.542 322 T HA 0.328 4.679 4.350 0.002 0.000 0.246 322 T C 1.251 175.974 174.700 0.038 0.000 1.052 322 T CA 1.741 63.871 62.100 0.051 0.000 1.251 322 T CB -0.498 68.400 68.868 0.051 0.000 1.031 322 T HN 1.364 nan 8.240 nan 0.000 0.498 323 G N 2.813 111.629 108.800 0.025 0.000 2.184 323 G HA2 -0.202 3.759 3.960 0.002 0.000 0.206 323 G HA3 -0.202 3.759 3.960 0.002 0.000 0.206 323 G C 0.289 175.195 174.900 0.011 0.000 0.995 323 G CA 0.007 45.114 45.100 0.011 0.000 0.651 323 G HN 1.140 nan 8.290 nan 0.000 0.511 324 T N -1.544 113.031 114.554 0.034 0.000 2.940 324 T HA 0.723 5.074 4.350 0.002 0.000 0.288 324 T C 1.011 175.752 174.700 0.068 0.000 1.033 324 T CA -0.635 61.501 62.100 0.059 0.000 1.033 324 T CB 2.063 70.986 68.868 0.092 0.000 1.079 324 T HN 0.274 nan 8.240 nan 0.000 0.496 325 L N 1.071 122.357 121.223 0.105 0.000 2.611 325 L HA 0.226 4.568 4.340 0.002 0.000 0.229 325 L C 0.875 178.047 176.870 0.504 0.000 1.137 325 L CA 0.023 54.934 54.840 0.118 0.000 0.901 325 L CB -0.157 41.906 42.059 0.007 0.000 1.098 325 L HN 0.784 nan 8.230 nan 0.000 0.456 326 T N -0.263 114.521 114.554 0.383 0.000 2.889 326 T HA 0.294 4.645 4.350 0.002 0.000 0.291 326 T C 0.566 175.435 174.700 0.282 0.000 0.995 326 T CA -0.328 61.995 62.100 0.371 0.000 1.092 326 T CB 1.022 70.031 68.868 0.235 0.000 0.954 326 T HN 0.151 nan 8.240 nan 0.000 0.506 327 T N 1.066 115.760 114.554 0.233 0.000 3.250 327 T HA 0.437 4.788 4.350 0.002 0.000 0.391 327 T C -2.933 171.821 174.700 0.090 0.000 1.502 327 T CA -2.112 60.069 62.100 0.134 0.000 1.320 327 T CB 0.331 69.231 68.868 0.053 0.000 1.102 327 T HN 0.180 nan 8.240 nan 0.000 0.610 328 P HA 0.357 nan 4.420 nan 0.000 0.269 328 P C -0.673 176.663 177.300 0.061 0.000 1.215 328 P CA -0.451 62.695 63.100 0.076 0.000 0.780 328 P CB 0.738 32.491 31.700 0.088 0.000 0.898 329 V N 1.297 121.245 119.914 0.057 0.000 2.569 329 V HA 0.811 4.933 4.120 0.002 0.000 0.301 329 V C 0.431 176.574 176.094 0.082 0.000 1.044 329 V CA -0.431 61.904 62.300 0.057 0.000 0.874 329 V CB 1.581 33.407 31.823 0.004 0.000 1.002 329 V HN 0.815 nan 8.190 nan 0.000 0.424 330 G N 2.200 111.084 108.800 0.139 0.000 3.086 330 G HA2 0.663 4.625 3.960 0.002 0.000 0.282 330 G HA3 0.663 4.625 3.960 0.002 0.000 0.282 330 G C -0.330 174.657 174.900 0.145 0.000 1.343 330 G CA -0.926 44.249 45.100 0.126 0.000 0.895 330 G HN 0.501 nan 8.290 nan 0.000 0.557 331 R N -1.433 119.124 120.500 0.095 0.000 3.516 331 R HA -0.151 4.190 4.340 0.002 0.000 0.271 331 R C -0.398 175.951 176.300 0.082 0.000 1.098 331 R CA 0.299 56.443 56.100 0.074 0.000 0.732 331 R CB -2.531 27.818 30.300 0.081 0.000 1.152 331 R HN 0.389 nan 8.270 nan 0.000 0.455 332 L N 1.441 122.700 121.223 0.060 0.000 2.290 332 L HA 0.418 4.759 4.340 0.002 0.000 0.284 332 L C 0.931 177.817 176.870 0.027 0.000 1.078 332 L CA -0.031 54.834 54.840 0.042 0.000 0.815 332 L CB 0.779 42.849 42.059 0.019 0.000 1.162 332 L HN 0.314 nan 8.230 nan 0.000 0.435 333 R N 2.014 122.531 120.500 0.028 0.000 2.829 333 R HA 0.445 4.786 4.340 0.002 0.000 0.284 333 R C -1.764 174.555 176.300 0.031 0.000 1.006 333 R CA -1.192 54.922 56.100 0.022 0.000 0.844 333 R CB 0.453 30.767 30.300 0.022 0.000 1.309 333 R HN -0.000 nan 8.270 nan 0.000 0.494 334 K N 1.056 121.474 120.400 0.031 0.000 2.174 334 K HA 0.404 4.725 4.320 0.002 0.000 0.275 334 K C -0.155 176.485 176.600 0.067 0.000 1.015 334 K CA -0.454 55.864 56.287 0.051 0.000 0.933 334 K CB 0.837 33.361 32.500 0.041 0.000 1.025 334 K HN 0.480 nan 8.250 nan 0.000 0.463 335 L N 2.273 123.559 121.223 0.105 0.000 2.421 335 L HA 0.135 4.476 4.340 0.002 0.000 0.263 335 L C 1.535 178.439 176.870 0.057 0.000 1.122 335 L CA -0.535 54.347 54.840 0.071 0.000 0.804 335 L CB 0.379 42.473 42.059 0.059 0.000 1.150 335 L HN 0.510 nan 8.230 nan 0.000 0.457 336 N N 1.063 119.770 118.700 0.012 0.000 2.272 336 N HA -0.170 4.571 4.740 0.002 0.000 0.185 336 N C 1.403 176.915 175.510 0.003 0.000 1.014 336 N CA 1.388 54.442 53.050 0.007 0.000 0.870 336 N CB -0.281 38.200 38.487 -0.011 0.000 0.975 336 N HN 0.539 nan 8.380 nan 0.000 0.433 337 M N -0.572 118.986 119.600 -0.069 0.000 2.358 337 M HA 0.061 4.542 4.480 0.002 0.000 0.264 337 M C 0.999 177.415 176.300 0.193 0.000 1.064 337 M CA 0.717 55.941 55.300 -0.125 0.000 1.093 337 M CB -0.121 32.025 32.600 -0.757 0.000 1.401 337 M HN 0.139 nan 8.290 nan 0.000 0.440 338 G N -1.624 107.363 108.800 0.312 0.000 2.350 338 G HA2 0.167 4.129 3.960 0.002 0.000 0.304 338 G HA3 0.167 4.129 3.960 0.002 0.000 0.304 338 G C -2.789 172.249 174.900 0.230 0.000 1.421 338 G CA -0.924 44.355 45.100 0.298 0.000 0.934 338 G HN -0.137 nan 8.290 nan 0.000 0.632 339 P HA 0.068 nan 4.420 nan 0.000 0.237 339 P C 0.740 177.998 177.300 -0.070 0.000 1.178 339 P CA 0.901 64.009 63.100 0.013 0.000 0.766 339 P CB 0.384 32.079 31.700 -0.008 0.000 0.876 340 E N -0.896 119.199 120.200 -0.175 0.000 2.479 340 E HA 0.082 4.434 4.350 0.002 0.000 0.193 340 E C -0.168 176.108 176.600 -0.540 0.000 1.049 340 E CA 0.148 56.313 56.400 -0.391 0.000 0.870 340 E CB -0.011 29.370 29.700 -0.531 0.000 0.944 340 E HN 0.345 nan 8.360 nan 0.000 0.492 341 F N 1.471 121.361 119.950 -0.100 0.000 2.334 341 F HA 0.253 4.781 4.527 0.001 0.000 0.367 341 F C 0.100 175.852 175.800 -0.080 0.000 1.115 341 F CA -0.997 56.940 58.000 -0.105 0.000 1.116 341 F CB 0.728 39.708 39.000 -0.034 0.000 1.230 341 F HN -0.130 nan 8.300 nan 0.000 0.484 342 L N 3.566 124.802 121.223 0.022 0.000 2.289 342 L HA 0.597 4.938 4.340 0.002 0.000 0.285 342 L C 0.023 176.930 176.870 0.062 0.000 1.049 342 L CA 0.028 54.872 54.840 0.008 0.000 0.804 342 L CB 1.372 43.385 42.059 -0.077 0.000 1.195 342 L HN 0.483 nan 8.230 nan 0.000 0.428 343 S N 4.617 120.365 115.700 0.081 0.000 2.437 343 S HA 0.925 5.396 4.470 0.002 0.000 0.305 343 S C -0.511 174.168 174.600 0.133 0.000 1.109 343 S CA 0.082 58.358 58.200 0.125 0.000 1.099 343 S CB 0.942 64.209 63.200 0.111 0.000 1.004 343 S HN 1.141 nan 8.310 nan 0.000 0.475 344 A N 3.621 126.569 122.820 0.215 0.000 2.527 344 A HA 0.872 5.193 4.320 0.002 0.000 0.293 344 A C -1.615 176.230 177.584 0.434 0.000 1.117 344 A CA -0.696 51.481 52.037 0.234 0.000 0.723 344 A CB 1.315 20.369 19.000 0.089 0.000 1.313 344 A HN 1.069 nan 8.150 nan 0.000 0.411 345 F N 1.216 121.285 119.950 0.199 0.000 2.671 345 F HA 0.558 5.086 4.527 0.002 0.000 0.332 345 F C 0.219 176.124 175.800 0.175 0.000 1.189 345 F CA 0.162 58.279 58.000 0.194 0.000 0.988 345 F CB 1.901 40.941 39.000 0.066 0.000 1.258 345 F HN 0.830 nan 8.300 nan 0.000 0.471 346 T N 2.609 117.055 114.554 -0.180 0.000 2.952 346 T HA 0.923 5.274 4.350 0.002 0.000 0.286 346 T C -1.200 173.336 174.700 -0.273 0.000 1.024 346 T CA -0.639 61.405 62.100 -0.093 0.000 1.029 346 T CB 1.860 70.783 68.868 0.091 0.000 1.094 346 T HN 0.465 nan 8.240 nan 0.000 0.515 347 V N -0.096 119.777 119.914 -0.067 0.000 2.969 347 V HA 0.874 4.995 4.120 0.002 0.000 0.304 347 V C 0.156 176.285 176.094 0.057 0.000 1.192 347 V CA -0.471 61.817 62.300 -0.020 0.000 0.962 347 V CB 1.809 33.654 31.823 0.037 0.000 1.045 347 V HN 1.520 nan 8.190 nan 0.000 0.428 348 G N 0.867 109.718 108.800 0.085 0.000 2.655 348 G HA2 0.469 4.430 3.960 0.002 0.000 0.296 348 G HA3 0.469 4.430 3.960 0.002 0.000 0.296 348 G C -1.938 173.026 174.900 0.106 0.000 1.485 348 G CA -0.599 44.568 45.100 0.110 0.000 0.869 348 G HN 0.618 nan 8.290 nan 0.000 0.540 349 D N 1.316 121.774 120.400 0.097 0.000 2.363 349 D HA 0.032 4.673 4.640 0.002 0.000 0.263 349 D C 1.504 177.817 176.300 0.022 0.000 1.258 349 D CA -0.266 53.765 54.000 0.051 0.000 0.907 349 D CB 1.272 42.090 40.800 0.031 0.000 1.107 349 D HN 0.468 nan 8.370 nan 0.000 0.495 350 Q N 4.330 124.099 119.800 -0.053 0.000 2.482 350 Q HA -0.051 4.291 4.340 0.002 0.000 0.209 350 Q C 0.843 176.780 176.000 -0.105 0.000 0.961 350 Q CA 0.455 56.184 55.803 -0.123 0.000 0.945 350 Q CB 0.033 28.525 28.738 -0.411 0.000 1.012 350 Q HN 0.618 nan 8.270 nan 0.000 0.515 351 L N -0.413 120.763 121.223 -0.079 0.000 2.513 351 L HA 0.171 4.512 4.340 0.002 0.000 0.222 351 L C 1.765 178.580 176.870 -0.091 0.000 1.096 351 L CA 0.118 54.914 54.840 -0.074 0.000 0.857 351 L CB 0.223 42.248 42.059 -0.055 0.000 1.026 351 L HN 0.131 nan 8.230 nan 0.000 0.469 352 L N -2.197 118.962 121.223 -0.106 0.000 2.496 352 L HA 0.010 4.351 4.340 0.002 0.000 0.189 352 L C 1.880 178.611 176.870 -0.232 0.000 1.308 352 L CA 0.798 55.506 54.840 -0.220 0.000 0.912 352 L CB -0.503 41.397 42.059 -0.264 0.000 1.148 352 L HN 0.164 nan 8.230 nan 0.000 0.537 353 W N 0.198 121.408 121.300 -0.150 0.000 2.425 353 W HA -0.064 4.597 4.660 0.002 0.000 0.277 353 W C 2.123 178.566 176.519 -0.127 0.000 1.231 353 W CA 0.725 57.963 57.345 -0.179 0.000 1.248 353 W CB -0.136 29.211 29.460 -0.188 0.000 1.117 353 W HN 0.287 nan 8.180 nan 0.000 0.568 354 G N -0.907 107.967 108.800 0.123 0.000 2.712 354 G HA2 0.238 4.199 3.960 0.002 0.000 0.212 354 G HA3 0.238 4.199 3.960 0.002 0.000 0.212 354 G C 0.808 175.709 174.900 0.003 0.000 1.142 354 G CA 0.890 46.016 45.100 0.043 0.000 0.789 354 G HN 0.257 nan 8.290 nan 0.000 0.535 355 A N -0.061 122.748 122.820 -0.018 0.000 1.826 355 A HA 0.755 5.076 4.320 0.002 0.000 0.178 355 A C 2.256 179.806 177.584 -0.056 0.000 1.903 355 A CA 1.210 53.225 52.037 -0.036 0.000 1.555 355 A CB -0.954 18.015 19.000 -0.051 0.000 1.241 355 A HN 0.628 nan 8.150 nan 0.000 0.769 356 A N -0.321 122.444 122.820 -0.091 0.000 1.859 356 A HA -0.178 4.143 4.320 0.002 0.000 0.217 356 A C 1.784 179.265 177.584 -0.171 0.000 1.198 356 A CA 2.291 54.257 52.037 -0.119 0.000 0.629 356 A CB -0.907 18.014 19.000 -0.133 0.000 0.830 356 A HN 0.508 nan 8.150 nan 0.000 0.446 357 E N -0.417 119.611 120.200 -0.286 0.000 2.113 357 E HA -0.211 4.140 4.350 0.002 0.000 0.210 357 E C 0.107 176.556 176.600 -0.252 0.000 1.040 357 E CA 2.261 58.398 56.400 -0.438 0.000 0.847 357 E CB -1.950 27.165 29.700 -0.975 0.000 0.755 357 E HN 0.463 nan 8.360 nan 0.000 0.459 358 P HA -0.147 nan 4.420 nan 0.000 0.216 358 P C 1.685 178.967 177.300 -0.030 0.000 1.150 358 P CA 1.260 64.375 63.100 0.026 0.000 0.843 358 P CB -0.176 31.569 31.700 0.075 0.000 0.787 359 L N -1.490 119.702 121.223 -0.053 0.000 2.023 359 L HA -0.062 4.279 4.340 0.002 0.000 0.205 359 L C 2.810 179.627 176.870 -0.088 0.000 1.073 359 L CA 1.245 56.053 54.840 -0.054 0.000 0.745 359 L CB -0.981 41.052 42.059 -0.044 0.000 0.900 359 L HN -0.159 nan 8.230 nan 0.000 0.435 360 R N 0.974 121.401 120.500 -0.122 0.000 2.115 360 R HA -0.201 4.140 4.340 0.002 0.000 0.239 360 R C 2.554 178.769 176.300 -0.142 0.000 1.133 360 R CA 2.025 58.033 56.100 -0.153 0.000 0.935 360 R CB -0.194 29.981 30.300 -0.208 0.000 0.853 360 R HN 0.336 nan 8.270 nan 0.000 0.433 361 R N -0.316 120.101 120.500 -0.138 0.000 2.096 361 R HA -0.160 4.181 4.340 0.002 0.000 0.235 361 R C 2.308 178.543 176.300 -0.109 0.000 1.127 361 R CA 1.744 57.782 56.100 -0.103 0.000 0.968 361 R CB -0.356 29.908 30.300 -0.061 0.000 0.861 361 R HN 0.226 nan 8.270 nan 0.000 0.440 362 M N 0.892 120.420 119.600 -0.120 0.000 2.099 362 M HA -0.100 4.381 4.480 0.002 0.000 0.262 362 M C 1.976 178.154 176.300 -0.204 0.000 1.067 362 M CA 1.426 56.615 55.300 -0.184 0.000 1.124 362 M CB -0.344 32.151 32.600 -0.175 0.000 1.353 362 M HN 0.137 nan 8.290 nan 0.000 0.410 363 L N 0.409 121.544 121.223 -0.148 0.000 2.013 363 L HA -0.210 4.131 4.340 0.002 0.000 0.212 363 L C 2.301 179.092 176.870 -0.132 0.000 1.073 363 L CA 1.993 56.754 54.840 -0.132 0.000 0.753 363 L CB -0.913 41.095 42.059 -0.086 0.000 0.890 363 L HN 0.313 nan 8.230 nan 0.000 0.432 364 R N -0.461 119.967 120.500 -0.120 0.000 2.127 364 R HA -0.173 4.168 4.340 0.002 0.000 0.238 364 R C 2.226 178.459 176.300 -0.112 0.000 1.134 364 R CA 1.688 57.727 56.100 -0.101 0.000 0.975 364 R CB -0.412 29.833 30.300 -0.091 0.000 0.865 364 R HN 0.667 nan 8.270 nan 0.000 0.447 365 Q N 0.029 119.739 119.800 -0.149 0.000 2.119 365 Q HA -0.087 4.255 4.340 0.002 0.000 0.201 365 Q C 1.970 177.849 176.000 -0.201 0.000 0.972 365 Q CA 1.101 56.800 55.803 -0.173 0.000 0.847 365 Q CB 0.063 28.662 28.738 -0.232 0.000 0.903 365 Q HN 0.349 nan 8.270 nan 0.000 0.433 366 L N -0.296 120.781 121.223 -0.244 0.000 2.567 366 L HA 0.211 4.552 4.340 0.002 0.000 0.225 366 L C 1.135 177.927 176.870 -0.129 0.000 1.119 366 L CA -0.491 54.188 54.840 -0.268 0.000 0.871 366 L CB -0.177 41.615 42.059 -0.444 0.000 1.036 366 L HN -0.016 nan 8.230 nan 0.000 0.459 367 A N 0.000 122.765 122.820 -0.092 0.000 2.254 367 A HA 0.000 4.321 4.320 0.002 0.000 0.244 367 A CA 0.000 52.014 52.037 -0.038 0.000 0.836 367 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 367 A HN 0.000 nan 8.150 nan 0.000 0.486