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 1aqm_1_A DATA FIRST_RESID 1 DATA SEQUENCE TPTTFVHLFE WNWQDVAQEc EQYLGPKGYA AVQVSPPNEH ITGSQWWTRY DATA SEQUENCE QPVSYELQSR GGNRAQFIDM VNRcSAAGVD IYVDTLINHM AAGSGTGTAG DATA SEQUENCE NSFGNKSFPI YSPQDFHESc TINNSDYGND RYRVQNcELV GLADLDTASN DATA SEQUENCE YVQNTIAAYI NDLQAIGVKG FRFDASKHVA ASDIQSLMAK VNGSPVVFQE DATA SEQUENCE VIDQGGEAVG ASEYLSTGLV TEFKYSTELG NTFRNGSLAW LSNFGEGWGF DATA SEQUENCE MPSSSAVVFV DNHDNQRGHG GAGNVITFED GRLYDLANVF MLAYPYGYPK DATA SEQUENCE VMSSYDFHGD TDAGGPNVPV HNNGNLEcFA SNWKcEHRWS YIAGGVDFRN DATA SEQUENCE NTADNWAVTN WWDNTNNQIS FGRGSSGHMA INKEDSTLTA TVQTDMASGQ DATA SEQUENCE YcNVLKGELS ADAKScSGEV ITVNSDGTIN LNIGAWDAMA IHKNAKLN 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.689 174.700 -0.019 0.000 1.109 1 T CA 0.000 62.080 62.100 -0.034 0.000 1.349 1 T CB 0.000 68.857 68.868 -0.019 0.000 0.612 2 P HA 0.069 nan 4.420 nan 0.000 0.267 2 P C -0.849 176.489 177.300 0.063 0.000 1.209 2 P CA 0.293 63.410 63.100 0.027 0.000 0.763 2 P CB 0.309 32.025 31.700 0.026 0.000 0.816 3 T N -2.757 111.867 114.554 0.117 0.000 3.092 3 T HA 0.105 nan 4.350 nan 0.000 0.273 3 T C -0.980 173.953 174.700 0.388 0.000 0.898 3 T CA 0.253 62.477 62.100 0.207 0.000 0.868 3 T CB 1.666 70.660 68.868 0.211 0.000 1.228 3 T HN 0.273 8.569 8.240 0.093 0.000 0.555 4 T N 5.055 119.798 114.554 0.314 0.000 2.893 4 T HA 0.766 nan 4.350 nan 0.000 0.293 4 T C -2.241 172.668 174.700 0.348 0.000 1.027 4 T CA -0.372 61.903 62.100 0.293 0.000 0.988 4 T CB 2.966 71.865 68.868 0.052 0.000 1.043 4 T HN -0.609 7.750 8.240 0.198 0.000 0.461 5 F N 2.040 121.983 119.950 -0.012 0.000 2.631 5 F HA 1.096 nan 4.527 nan 0.000 0.350 5 F C -2.530 173.281 175.800 0.019 0.000 1.080 5 F CA -3.090 54.889 58.000 -0.035 0.000 1.026 5 F CB 2.019 40.881 39.000 -0.231 0.000 1.347 5 F HN 0.368 8.736 8.300 0.113 0.000 0.501 6 V N -2.554 117.340 119.914 -0.034 0.000 2.888 6 V HA 0.554 nan 4.120 nan 0.000 0.309 6 V C -2.735 173.279 176.094 -0.133 0.000 1.114 6 V CA -2.085 60.095 62.300 -0.200 0.000 0.940 6 V CB 3.868 35.471 31.823 -0.366 0.000 1.021 6 V HN 0.075 8.339 8.190 0.124 0.000 0.426 7 H N 8.140 127.058 119.070 -0.254 0.000 2.690 7 H HA 0.474 nan 4.556 nan 0.000 0.289 7 H C -0.476 174.734 175.328 -0.196 0.000 1.089 7 H CA -2.388 53.581 56.048 -0.132 0.000 1.299 7 H CB 1.213 30.924 29.762 -0.085 0.000 1.405 7 H HN 0.406 8.623 8.280 -0.106 0.000 0.463 8 L N 9.313 130.407 121.223 -0.215 0.000 2.423 8 L HA 0.024 nan 4.340 nan 0.000 0.249 8 L C -1.160 175.588 176.870 -0.203 0.000 1.276 8 L CA -1.902 52.549 54.840 -0.649 0.000 1.199 8 L CB -1.256 40.230 42.059 -0.954 0.000 1.407 8 L HN -0.011 8.189 8.230 -0.049 0.000 0.410 9 F N 4.579 124.273 119.950 -0.426 0.000 2.571 9 F HA -0.453 nan 4.527 nan 0.000 0.390 9 F C -0.322 175.689 175.800 0.352 0.000 1.043 9 F CA 1.185 59.020 58.000 -0.276 0.000 1.164 9 F CB -0.083 38.623 39.000 -0.490 0.000 1.049 9 F HN -0.308 7.785 8.300 -0.264 0.048 0.552 10 E N 1.293 121.471 120.200 -0.037 0.000 3.370 10 E HA -0.516 nan 4.350 nan 0.000 0.291 10 E C -0.773 175.976 176.600 0.249 0.000 0.916 10 E CA 1.848 58.249 56.400 0.002 0.000 0.981 10 E CB -1.493 28.078 29.700 -0.216 0.000 1.498 10 E HN 0.314 8.709 8.360 0.058 0.000 0.452 11 W N -0.802 120.471 121.300 -0.045 0.000 2.266 11 W HA -0.108 nan 4.660 nan 0.000 0.317 11 W C -0.520 175.877 176.519 -0.202 0.000 1.310 11 W CA -0.204 57.007 57.345 -0.223 0.000 1.207 11 W CB 0.074 29.395 29.460 -0.231 0.000 1.199 11 W HN -0.665 7.741 8.180 0.482 0.062 0.544 12 N N 0.531 119.153 118.700 -0.130 0.000 2.399 12 N HA -0.088 nan 4.740 nan 0.000 0.250 12 N C 0.809 176.315 175.510 -0.006 0.000 1.272 12 N CA -0.849 52.002 53.050 -0.332 0.000 0.928 12 N CB 0.627 38.935 38.487 -0.297 0.000 1.158 12 N HN 0.072 8.321 8.380 -0.219 0.000 0.463 13 W N -1.082 120.276 121.300 0.098 0.000 2.350 13 W HA -0.423 nan 4.660 nan 0.000 0.289 13 W C 2.308 178.846 176.519 0.032 0.000 1.215 13 W CA 2.315 59.702 57.345 0.069 0.000 1.236 13 W CB -0.296 29.217 29.460 0.088 0.000 1.130 13 W HN 0.292 8.037 8.180 -0.726 0.000 0.541 14 Q N -2.316 117.600 119.800 0.193 0.000 2.046 14 Q HA -0.333 nan 4.340 nan 0.000 0.200 14 Q C 2.587 178.640 176.000 0.089 0.000 0.975 14 Q CA 3.076 58.941 55.803 0.102 0.000 0.836 14 Q CB -0.900 27.864 28.738 0.043 0.000 0.896 14 Q HN -0.519 7.908 8.270 0.124 -0.082 0.428 15 D N 0.307 120.760 120.400 0.088 0.000 2.144 15 D HA -0.182 nan 4.640 nan 0.000 0.199 15 D C 2.639 179.131 176.300 0.321 0.000 0.984 15 D CA 3.428 57.519 54.000 0.150 0.000 0.834 15 D CB -0.080 40.639 40.800 -0.135 0.000 0.955 15 D HN 0.031 8.797 8.370 0.047 -0.367 0.465 16 V N 0.124 120.229 119.914 0.319 0.000 2.295 16 V HA -0.372 nan 4.120 nan 0.000 0.246 16 V C 1.812 177.978 176.094 0.119 0.000 1.049 16 V CA 4.245 66.694 62.300 0.247 0.000 1.024 16 V CB -0.815 31.146 31.823 0.230 0.000 0.648 16 V HN -0.199 8.173 8.190 0.302 0.000 0.447 17 A N -1.662 121.211 122.820 0.089 0.000 1.883 17 A HA -0.461 nan 4.320 nan 0.000 0.217 17 A C 2.109 179.690 177.584 -0.006 0.000 1.186 17 A CA 3.475 55.523 52.037 0.019 0.000 0.624 17 A CB -0.816 18.193 19.000 0.015 0.000 0.822 17 A HN -0.054 8.176 8.150 0.134 0.000 0.444 18 Q N -1.994 117.782 119.800 -0.040 0.000 2.084 18 Q HA -0.402 nan 4.340 nan 0.000 0.202 18 Q C 2.500 178.442 176.000 -0.097 0.000 0.978 18 Q CA 3.118 58.815 55.803 -0.176 0.000 0.844 18 Q CB -0.048 28.396 28.738 -0.490 0.000 0.898 18 Q HN -0.360 7.903 8.270 -0.012 0.000 0.426 19 E N 0.169 120.424 120.200 0.092 0.000 2.110 19 E HA -0.237 nan 4.350 nan 0.000 0.193 19 E C 2.183 178.871 176.600 0.147 0.000 0.988 19 E CA 2.806 59.360 56.400 0.257 0.000 0.804 19 E CB -0.348 29.574 29.700 0.370 0.000 0.745 19 E HN -0.281 8.164 8.360 0.141 0.000 0.458 20 c N -0.250 118.385 118.600 0.059 0.000 2.432 20 c HA -0.308 nan 4.570 nan 0.000 0.277 20 c C 2.366 176.480 174.090 0.038 0.000 1.249 20 c CA 4.446 60.789 56.329 0.024 0.000 1.725 20 c CB -1.533 40.966 42.510 -0.019 0.000 2.028 20 c HN 0.065 8.224 8.230 0.046 0.100 0.477 21 E N -0.749 119.466 120.200 0.026 0.000 2.047 21 E HA -0.294 nan 4.350 nan 0.000 0.191 21 E C 2.343 178.973 176.600 0.050 0.000 0.987 21 E CA 2.757 59.169 56.400 0.020 0.000 0.799 21 E CB -0.024 29.673 29.700 -0.005 0.000 0.752 21 E HN -0.535 7.832 8.360 0.012 0.000 0.449 22 Q N -4.008 115.840 119.800 0.079 0.000 2.245 22 Q HA -0.181 nan 4.340 nan 0.000 0.201 22 Q C 0.881 177.025 176.000 0.240 0.000 0.955 22 Q CA 2.327 58.212 55.803 0.138 0.000 0.870 22 Q CB 1.165 29.987 28.738 0.140 0.000 0.945 22 Q HN -0.113 8.191 8.270 0.056 0.000 0.461 23 Y N -3.030 117.338 120.300 0.114 0.000 3.087 23 Y HA 0.029 nan 4.550 nan 0.000 0.227 23 Y C -0.402 175.593 175.900 0.159 0.000 1.015 23 Y CA 1.863 60.053 58.100 0.150 0.000 1.399 23 Y CB 2.760 41.338 38.460 0.198 0.000 1.483 23 Y HN -0.480 7.954 8.280 0.257 0.000 0.420 24 L N -0.348 121.012 121.223 0.228 0.000 2.013 24 L HA -0.502 nan 4.340 nan 0.000 0.212 24 L C 2.204 179.144 176.870 0.117 0.000 1.073 24 L CA 3.659 58.590 54.840 0.152 0.000 0.753 24 L CB -0.438 41.637 42.059 0.026 0.000 0.890 24 L HN 0.073 8.482 8.230 0.299 0.000 0.432 25 G N -2.132 106.703 108.800 0.058 0.000 2.453 25 G HA2 -0.119 nan 3.960 nan 0.000 0.215 25 G HA3 -0.119 nan 3.960 nan 0.000 0.215 25 G C -1.044 173.861 174.900 0.007 0.000 1.201 25 G CA 2.601 47.720 45.100 0.031 0.000 0.784 25 G HN -0.074 8.252 8.290 0.060 0.000 0.545 26 P HA -0.141 nan 4.420 nan 0.000 0.216 26 P C 0.688 177.941 177.300 -0.078 0.000 1.150 26 P CA 1.889 64.962 63.100 -0.044 0.000 0.837 26 P CB -0.120 31.552 31.700 -0.046 0.000 0.786 27 K N -6.210 114.108 120.400 -0.136 0.000 2.459 27 K HA 0.074 nan 4.320 nan 0.000 0.193 27 K C 0.767 177.339 176.600 -0.046 0.000 1.030 27 K CA -0.506 55.703 56.287 -0.131 0.000 1.026 27 K CB 0.170 32.501 32.500 -0.282 0.000 0.809 27 K HN -0.044 8.093 8.250 -0.151 0.022 0.504 28 G N -2.308 106.494 108.800 0.003 0.000 2.131 28 G HA2 -0.332 nan 3.960 nan 0.000 0.223 28 G HA3 -0.332 nan 3.960 nan 0.000 0.223 28 G C -0.248 174.651 174.900 -0.001 0.000 0.990 28 G CA 0.071 45.162 45.100 -0.015 0.000 0.671 28 G HN -0.559 7.575 8.290 0.020 0.168 0.521 29 Y N -0.439 119.867 120.300 0.010 0.000 2.511 29 Y HA -0.297 nan 4.550 nan 0.000 0.332 29 Y C -0.084 175.827 175.900 0.019 0.000 1.177 29 Y CA 0.806 58.927 58.100 0.035 0.000 1.422 29 Y CB 0.286 38.766 38.460 0.033 0.000 1.271 29 Y HN -0.582 7.918 8.280 0.367 0.000 0.550 30 A N 4.002 126.937 122.820 0.191 0.000 1.930 30 A HA -0.095 nan 4.320 nan 0.000 0.215 30 A C -1.839 175.746 177.584 0.001 0.000 1.176 30 A CA 1.780 53.884 52.037 0.110 0.000 0.632 30 A CB 0.859 19.968 19.000 0.182 0.000 0.819 30 A HN 1.000 9.289 8.150 0.230 0.000 0.445 31 A N -6.826 115.977 122.820 -0.028 0.000 2.564 31 A HA 0.610 nan 4.320 nan 0.000 0.291 31 A C -2.510 174.953 177.584 -0.202 0.000 1.102 31 A CA -0.320 51.537 52.037 -0.300 0.000 0.660 31 A CB 2.309 20.737 19.000 -0.954 0.000 1.283 31 A HN -0.769 7.457 8.150 0.127 0.000 0.430 32 V N -1.779 117.960 119.914 -0.290 0.000 2.531 32 V HA 0.507 nan 4.120 nan 0.000 0.301 32 V C -1.886 174.180 176.094 -0.047 0.000 1.034 32 V CA -1.095 61.118 62.300 -0.145 0.000 0.865 32 V CB 3.063 34.788 31.823 -0.164 0.000 0.995 32 V HN 0.388 8.332 8.190 -0.411 0.000 0.424 33 Q N 7.283 127.179 119.800 0.162 0.000 2.322 33 Q HA 0.633 nan 4.340 nan 0.000 0.256 33 Q C -1.377 174.802 176.000 0.297 0.000 0.960 33 Q CA -0.766 55.211 55.803 0.289 0.000 0.934 33 Q CB 1.667 30.627 28.738 0.371 0.000 1.200 33 Q HN 0.564 8.946 8.270 0.186 0.000 0.435 34 V N 0.603 120.679 119.914 0.271 0.000 2.973 34 V HA 0.601 nan 4.120 nan 0.000 0.314 34 V C -1.094 175.269 176.094 0.448 0.000 1.066 34 V CA -3.335 59.188 62.300 0.371 0.000 1.021 34 V CB 1.408 33.416 31.823 0.309 0.000 1.076 34 V HN 0.115 8.434 8.190 0.216 0.000 0.462 35 S N 1.506 117.531 115.700 0.543 0.000 2.593 35 S HA 0.188 nan 4.470 nan 0.000 0.269 35 S C -1.830 173.013 174.600 0.405 0.000 1.334 35 S CA -1.007 57.465 58.200 0.453 0.000 1.015 35 S CB -0.141 63.277 63.200 0.364 0.000 0.912 35 S HN 0.250 8.922 8.310 0.603 0.000 0.541 36 P HA 0.011 nan 4.420 nan 0.000 0.256 36 P C -1.140 176.343 177.300 0.304 0.000 1.173 36 P CA -0.561 62.631 63.100 0.153 0.000 0.768 36 P CB -0.189 31.460 31.700 -0.085 0.000 0.758 37 P HA -0.060 nan 4.420 nan 0.000 0.255 37 P C -1.162 176.272 177.300 0.223 0.000 1.248 37 P CA 0.380 63.682 63.100 0.337 0.000 0.807 37 P CB 0.424 32.015 31.700 -0.182 0.000 1.150 38 N N -0.452 118.376 118.700 0.213 0.000 2.434 38 N HA -0.125 nan 4.740 nan 0.000 0.266 38 N C -0.899 174.719 175.510 0.180 0.000 1.223 38 N CA -1.251 51.896 53.050 0.162 0.000 0.972 38 N CB 0.837 39.374 38.487 0.082 0.000 1.207 38 N HN -0.524 7.927 8.380 0.218 0.060 0.525 39 E N -0.596 119.654 120.200 0.082 0.000 2.415 39 E HA -0.170 nan 4.350 nan 0.000 0.263 39 E C -0.728 175.893 176.600 0.036 0.000 0.995 39 E CA 0.842 57.242 56.400 -0.001 0.000 0.915 39 E CB 0.840 30.528 29.700 -0.020 0.000 0.951 39 E HN -0.236 8.162 8.360 0.062 0.000 0.449 40 H N 1.574 120.668 119.070 0.040 0.000 2.906 40 H HA 0.846 nan 4.556 nan 0.000 0.337 40 H C -0.484 174.885 175.328 0.067 0.000 1.257 40 H CA -2.744 53.325 56.048 0.035 0.000 1.192 40 H CB 2.871 32.658 29.762 0.043 0.000 1.912 40 H HN 0.018 7.979 8.280 -0.532 0.000 0.573 41 I N -4.933 115.788 120.570 0.253 0.000 2.836 41 I HA 0.097 nan 4.170 nan 0.000 0.285 41 I C 0.334 176.586 176.117 0.224 0.000 1.174 41 I CA 0.072 61.523 61.300 0.253 0.000 1.405 41 I CB 0.337 38.526 38.000 0.315 0.000 1.385 41 I HN -0.466 7.916 8.210 0.287 0.000 0.594 42 T N 0.479 115.124 114.554 0.151 0.000 2.860 42 T HA 0.109 nan 4.350 nan 0.000 0.299 42 T C 0.027 174.776 174.700 0.082 0.000 1.045 42 T CA -0.291 61.862 62.100 0.089 0.000 1.071 42 T CB 0.563 69.463 68.868 0.053 0.000 0.985 42 T HN 0.001 8.347 8.240 0.177 0.000 0.537 43 G N 0.536 109.355 108.800 0.031 0.000 2.317 43 G HA2 -0.164 nan 3.960 nan 0.000 0.445 43 G HA3 -0.164 nan 3.960 nan 0.000 0.445 43 G C -1.246 173.602 174.900 -0.086 0.000 1.486 43 G CA -0.397 44.682 45.100 -0.035 0.000 0.991 43 G HN -0.049 8.259 8.290 0.030 0.000 0.660 44 S N -1.844 113.777 115.700 -0.131 0.000 2.524 44 S HA 0.013 nan 4.470 nan 0.000 0.216 44 S C 0.078 174.545 174.600 -0.223 0.000 0.987 44 S CA 0.696 58.813 58.200 -0.138 0.000 0.909 44 S CB 0.757 63.899 63.200 -0.096 0.000 0.781 44 S HN 0.160 8.395 8.310 -0.125 0.000 0.521 45 Q N 0.267 119.807 119.800 -0.433 0.000 2.395 45 Q HA -0.066 nan 4.340 nan 0.000 0.271 45 Q C 1.527 177.172 176.000 -0.592 0.000 1.026 45 Q CA 0.569 55.943 55.803 -0.714 0.000 0.900 45 Q CB 0.235 27.960 28.738 -1.689 0.000 1.266 45 Q HN -0.478 7.521 8.270 -0.451 0.000 0.430 46 W N 2.083 123.191 121.300 -0.320 0.000 2.363 46 W HA -0.197 nan 4.660 nan 0.000 0.296 46 W C 0.970 177.556 176.519 0.112 0.000 1.212 46 W CA 2.102 59.422 57.345 -0.041 0.000 1.260 46 W CB -0.736 28.871 29.460 0.245 0.000 1.131 46 W HN 0.012 8.148 8.180 -0.074 0.000 0.530 47 W N -2.765 118.069 121.300 -0.778 0.000 2.961 47 W HA -0.086 nan 4.660 nan 0.000 0.240 47 W C 1.232 177.676 176.519 -0.126 0.000 1.305 47 W CA -0.577 56.376 57.345 -0.653 0.000 1.465 47 W CB -1.207 27.523 29.460 -1.217 0.000 1.135 47 W HN -0.069 6.875 8.180 -2.036 0.014 0.688 48 T N -0.674 113.860 114.554 -0.034 0.000 2.915 48 T HA -0.259 nan 4.350 nan 0.000 0.269 48 T C 2.078 176.793 174.700 0.026 0.000 1.071 48 T CA 3.030 65.186 62.100 0.094 0.000 1.132 48 T CB -0.507 68.359 68.868 -0.003 0.000 0.878 48 T HN -0.361 7.587 8.240 -0.378 0.066 0.479 49 R N 0.648 121.060 120.500 -0.147 0.000 2.193 49 R HA -0.246 nan 4.340 nan 0.000 0.229 49 R C 1.130 177.246 176.300 -0.307 0.000 1.110 49 R CA 1.370 57.229 56.100 -0.403 0.000 0.988 49 R CB -0.665 29.432 30.300 -0.338 0.000 0.871 49 R HN -0.500 7.716 8.270 -0.031 0.035 0.458 50 Y N -4.461 115.946 120.300 0.178 0.000 2.495 50 Y HA -0.002 nan 4.550 nan 0.000 0.293 50 Y C -0.917 175.139 175.900 0.260 0.000 1.186 50 Y CA -0.206 58.043 58.100 0.248 0.000 1.266 50 Y CB -0.348 38.286 38.460 0.289 0.000 1.101 50 Y HN -0.786 7.555 8.280 0.374 0.163 0.517 51 Q N -0.716 119.235 119.800 0.252 0.000 2.932 51 Q HA 0.426 nan 4.340 nan 0.000 0.248 51 Q C -2.902 173.167 176.000 0.116 0.000 0.982 51 Q CA -3.144 52.782 55.803 0.205 0.000 0.730 51 Q CB 1.324 30.186 28.738 0.206 0.000 1.249 51 Q HN -0.561 7.735 8.270 0.189 0.088 0.476 52 P HA -0.025 nan 4.420 nan 0.000 0.269 52 P C -1.305 175.913 177.300 -0.137 0.000 1.209 52 P CA 0.543 63.636 63.100 -0.012 0.000 0.776 52 P CB 0.586 32.270 31.700 -0.026 0.000 0.876 53 V N -0.961 118.889 119.914 -0.107 0.000 3.219 53 V HA 0.271 nan 4.120 nan 0.000 0.240 53 V C -0.784 175.280 176.094 -0.049 0.000 1.222 53 V CA 0.564 62.826 62.300 -0.064 0.000 1.181 53 V CB 1.790 33.593 31.823 -0.033 0.000 0.941 53 V HN 0.465 8.624 8.190 -0.051 0.000 0.471 54 S N -1.355 114.245 115.700 -0.167 0.000 2.724 54 S HA 0.202 nan 4.470 nan 0.000 0.278 54 S C -1.915 172.485 174.600 -0.334 0.000 1.190 54 S CA -0.559 57.439 58.200 -0.336 0.000 0.860 54 S CB 1.530 64.635 63.200 -0.159 0.000 1.206 54 S HN -0.685 7.557 8.310 -0.113 0.000 0.507 55 Y N -2.425 117.744 120.300 -0.219 0.000 2.607 55 Y HA 0.277 nan 4.550 nan 0.000 0.266 55 Y C -1.056 174.775 175.900 -0.113 0.000 1.178 55 Y CA -1.430 56.460 58.100 -0.350 0.000 1.226 55 Y CB -0.111 38.033 38.460 -0.526 0.000 1.144 55 Y HN 0.242 8.323 8.280 -0.330 0.000 0.528 56 E N 0.549 120.783 120.200 0.057 0.000 2.373 56 E HA -0.049 nan 4.350 nan 0.000 0.267 56 E C 0.152 176.799 176.600 0.079 0.000 1.032 56 E CA -0.203 56.237 56.400 0.067 0.000 0.889 56 E CB 0.909 30.631 29.700 0.036 0.000 0.984 56 E HN -0.725 7.568 8.360 -0.002 0.066 0.425 57 L N 3.977 125.242 121.223 0.069 0.000 2.533 57 L HA -0.033 nan 4.340 nan 0.000 0.239 57 L C -1.222 175.717 176.870 0.115 0.000 1.376 57 L CA -0.432 54.432 54.840 0.039 0.000 1.240 57 L CB -1.604 40.401 42.059 -0.090 0.000 1.487 57 L HN 0.279 8.549 8.230 0.068 0.000 0.419 58 Q N 1.545 121.414 119.800 0.116 0.000 2.337 58 Q HA 0.263 nan 4.340 nan 0.000 0.264 58 Q C -1.782 174.268 176.000 0.083 0.000 1.007 58 Q CA -0.706 55.166 55.803 0.115 0.000 0.727 58 Q CB 2.267 31.043 28.738 0.062 0.000 1.256 58 Q HN -0.290 7.970 8.270 0.093 0.066 0.467 59 S N 3.417 119.210 115.700 0.156 0.000 2.851 59 S HA 0.586 nan 4.470 nan 0.000 0.313 59 S C 0.258 174.935 174.600 0.128 0.000 1.163 59 S CA -2.193 56.106 58.200 0.164 0.000 0.850 59 S CB 2.852 66.305 63.200 0.422 0.000 1.245 59 S HN 0.371 8.819 8.310 0.229 0.000 0.558 60 R N 1.333 122.000 120.500 0.279 0.000 2.152 60 R HA -0.195 nan 4.340 nan 0.000 0.232 60 R C 1.220 177.415 176.300 -0.174 0.000 1.117 60 R CA 2.503 58.644 56.100 0.069 0.000 0.981 60 R CB -0.108 30.258 30.300 0.111 0.000 0.870 60 R HN 0.129 8.887 8.270 0.813 0.000 0.451 61 G N -4.482 104.088 108.800 -0.383 0.000 2.572 61 G HA2 0.001 nan 3.960 nan 0.000 0.216 61 G HA3 0.001 nan 3.960 nan 0.000 0.216 61 G C -1.307 172.885 174.900 -1.181 0.000 1.133 61 G CA -0.462 43.941 45.100 -1.161 0.000 0.791 61 G HN -0.433 7.730 8.290 -0.155 0.033 0.538 62 G N -1.468 107.076 108.800 -0.426 0.000 2.357 62 G HA2 -0.178 nan 3.960 nan 0.000 0.289 62 G HA3 -0.178 nan 3.960 nan 0.000 0.289 62 G C -2.714 172.361 174.900 0.291 0.000 1.302 62 G CA -0.534 44.540 45.100 -0.042 0.000 0.936 62 G HN -0.557 7.471 8.290 -0.179 0.155 0.513 63 N N -0.934 117.943 118.700 0.295 0.000 2.448 63 N HA 0.396 nan 4.740 nan 0.000 0.274 63 N C 0.739 176.443 175.510 0.323 0.000 1.239 63 N CA -2.114 51.092 53.050 0.259 0.000 0.982 63 N CB 1.023 39.605 38.487 0.158 0.000 1.199 63 N HN 0.057 8.905 8.380 0.249 -0.319 0.576 64 R N -0.077 120.553 120.500 0.216 0.000 2.091 64 R HA -0.420 nan 4.340 nan 0.000 0.238 64 R C 1.682 178.109 176.300 0.213 0.000 1.136 64 R CA 4.445 60.662 56.100 0.195 0.000 0.959 64 R CB -0.192 30.181 30.300 0.122 0.000 0.856 64 R HN 0.612 8.981 8.270 0.166 0.000 0.437 65 A N -2.035 120.887 122.820 0.170 0.000 1.902 65 A HA -0.221 nan 4.320 nan 0.000 0.217 65 A C 2.559 180.236 177.584 0.154 0.000 1.181 65 A CA 2.832 54.951 52.037 0.136 0.000 0.623 65 A CB -0.967 18.095 19.000 0.103 0.000 0.818 65 A HN -0.336 7.981 8.150 0.156 -0.074 0.443 66 Q N -1.104 118.829 119.800 0.221 0.000 2.124 66 Q HA -0.346 nan 4.340 nan 0.000 0.202 66 Q C 2.451 178.601 176.000 0.250 0.000 0.977 66 Q CA 2.775 58.736 55.803 0.265 0.000 0.850 66 Q CB -0.002 28.955 28.738 0.365 0.000 0.901 66 Q HN 0.037 8.821 8.270 0.239 -0.371 0.429 67 F N 1.735 121.733 119.950 0.079 0.000 2.113 67 F HA -0.340 nan 4.527 nan 0.000 0.297 67 F C 1.276 176.963 175.800 -0.187 0.000 1.103 67 F CA 3.761 61.574 58.000 -0.311 0.000 1.248 67 F CB 0.268 39.050 39.000 -0.365 0.000 0.999 67 F HN -0.211 8.232 8.300 0.416 0.107 0.475 68 I N -1.461 119.128 120.570 0.031 0.000 2.226 68 I HA -0.677 nan 4.170 nan 0.000 0.245 68 I C 1.499 177.555 176.117 -0.102 0.000 1.100 68 I CA 4.174 65.455 61.300 -0.032 0.000 1.374 68 I CB -0.518 37.521 38.000 0.066 0.000 1.057 68 I HN -0.042 8.288 8.210 0.200 0.000 0.413 69 D N -0.194 120.178 120.400 -0.046 0.000 2.104 69 D HA -0.348 nan 4.640 nan 0.000 0.194 69 D C 1.964 178.209 176.300 -0.092 0.000 0.994 69 D CA 3.372 57.350 54.000 -0.037 0.000 0.830 69 D CB 0.042 40.852 40.800 0.018 0.000 0.959 69 D HN -0.201 8.174 8.370 0.008 0.000 0.452 70 M N -0.298 119.212 119.600 -0.149 0.000 2.086 70 M HA -0.394 nan 4.480 nan 0.000 0.261 70 M C 1.921 178.057 176.300 -0.272 0.000 1.067 70 M CA 4.059 59.242 55.300 -0.194 0.000 1.116 70 M CB 0.081 32.534 32.600 -0.245 0.000 1.348 70 M HN -0.364 7.768 8.290 -0.142 0.073 0.407 71 V N -0.488 119.182 119.914 -0.406 0.000 2.343 71 V HA -0.566 nan 4.120 nan 0.000 0.247 71 V C 2.267 178.249 176.094 -0.185 0.000 1.051 71 V CA 4.599 66.697 62.300 -0.337 0.000 1.036 71 V CB -1.302 30.303 31.823 -0.364 0.000 0.654 71 V HN -0.012 7.860 8.190 -0.529 0.000 0.451 72 N N -0.597 118.018 118.700 -0.142 0.000 2.058 72 N HA -0.273 nan 4.740 nan 0.000 0.191 72 N C 2.283 177.749 175.510 -0.072 0.000 1.037 72 N CA 3.309 56.308 53.050 -0.086 0.000 0.848 72 N CB -0.613 37.838 38.487 -0.060 0.000 1.021 72 N HN -0.218 8.067 8.380 -0.158 0.000 0.422 73 R N 0.293 120.750 120.500 -0.072 0.000 2.096 73 R HA -0.244 nan 4.340 nan 0.000 0.235 73 R C 2.546 178.812 176.300 -0.057 0.000 1.127 73 R CA 3.473 59.541 56.100 -0.054 0.000 0.968 73 R CB -0.123 30.151 30.300 -0.043 0.000 0.861 73 R HN 0.004 8.225 8.270 -0.082 0.000 0.440 74 c N -0.729 117.822 118.600 -0.081 0.000 2.446 74 c HA -0.142 nan 4.570 nan 0.000 0.277 74 c C 2.211 176.257 174.090 -0.073 0.000 1.275 74 c CA 4.087 60.368 56.329 -0.080 0.000 1.727 74 c CB -2.021 40.419 42.510 -0.116 0.000 2.010 74 c HN 0.077 8.244 8.230 -0.105 0.000 0.486 75 S N 0.390 116.041 115.700 -0.081 0.000 2.370 75 S HA -0.303 nan 4.470 nan 0.000 0.226 75 S C 2.386 176.959 174.600 -0.045 0.000 1.033 75 S CA 3.625 61.786 58.200 -0.065 0.000 1.011 75 S CB -0.394 62.766 63.200 -0.067 0.000 0.852 75 S HN 0.009 8.261 8.310 -0.097 0.000 0.457 76 A N 1.326 124.121 122.820 -0.041 0.000 1.969 76 A HA -0.131 nan 4.320 nan 0.000 0.218 76 A C 1.031 178.601 177.584 -0.023 0.000 1.169 76 A CA 2.420 54.440 52.037 -0.028 0.000 0.635 76 A CB -0.475 18.510 19.000 -0.025 0.000 0.810 76 A HN -0.160 7.962 8.150 -0.047 0.000 0.445 77 A N -4.009 118.796 122.820 -0.025 0.000 2.206 77 A HA 0.036 nan 4.320 nan 0.000 0.211 77 A C 0.025 177.601 177.584 -0.014 0.000 1.158 77 A CA -0.257 51.771 52.037 -0.015 0.000 0.761 77 A CB 0.127 19.119 19.000 -0.012 0.000 0.801 77 A HN -0.586 7.422 8.150 -0.033 0.123 0.473 78 G N -2.608 106.179 108.800 -0.022 0.000 2.130 78 G HA2 -0.191 nan 3.960 nan 0.000 0.216 78 G HA3 -0.191 nan 3.960 nan 0.000 0.216 78 G C -0.749 174.138 174.900 -0.022 0.000 0.999 78 G CA -0.134 44.955 45.100 -0.019 0.000 0.686 78 G HN -0.558 7.522 8.290 -0.029 0.193 0.515 79 V N 0.537 120.427 119.914 -0.039 0.000 2.444 79 V HA 0.177 nan 4.120 nan 0.000 0.294 79 V C -0.963 175.068 176.094 -0.106 0.000 1.022 79 V CA -1.054 61.211 62.300 -0.059 0.000 0.850 79 V CB 0.690 32.481 31.823 -0.053 0.000 0.992 79 V HN -0.190 7.974 8.190 -0.043 0.000 0.426 80 D N 5.643 125.958 120.400 -0.142 0.000 2.344 80 D HA 0.205 nan 4.640 nan 0.000 0.244 80 D C -1.114 175.018 176.300 -0.279 0.000 1.134 80 D CA -0.477 53.415 54.000 -0.181 0.000 0.930 80 D CB 1.686 42.397 40.800 -0.149 0.000 1.175 80 D HN 0.074 8.366 8.370 -0.130 0.000 0.437 81 I N -0.295 120.145 120.570 -0.217 0.000 2.406 81 I HA 0.553 nan 4.170 nan 0.000 0.290 81 I C -1.279 174.801 176.117 -0.061 0.000 0.999 81 I CA -1.566 59.611 61.300 -0.206 0.000 1.124 81 I CB 0.902 38.764 38.000 -0.231 0.000 1.289 81 I HN 0.338 8.456 8.210 -0.152 0.000 0.441 82 Y N 5.789 125.996 120.300 -0.154 0.000 2.335 82 Y HA 0.350 nan 4.550 nan 0.000 0.338 82 Y C -1.492 174.342 175.900 -0.109 0.000 0.977 82 Y CA -3.309 54.673 58.100 -0.197 0.000 1.114 82 Y CB 0.987 39.406 38.460 -0.069 0.000 1.182 82 Y HN 0.779 9.021 8.280 -0.064 0.000 0.463 83 V N 4.238 124.120 119.914 -0.054 0.000 2.407 83 V HA 0.107 nan 4.120 nan 0.000 0.278 83 V C -0.944 175.255 176.094 0.175 0.000 1.037 83 V CA -1.201 61.153 62.300 0.089 0.000 0.900 83 V CB 1.188 33.067 31.823 0.093 0.000 0.983 83 V HN 0.434 8.403 8.190 -0.369 0.000 0.459 84 D N 8.076 128.595 120.400 0.199 0.000 2.346 84 D HA 0.126 nan 4.640 nan 0.000 0.260 84 D C -0.551 175.878 176.300 0.216 0.000 1.252 84 D CA 0.225 54.339 54.000 0.190 0.000 0.895 84 D CB 0.845 41.770 40.800 0.208 0.000 1.097 84 D HN 0.039 8.538 8.370 0.214 0.000 0.489 85 T N 8.093 122.797 114.554 0.249 0.000 2.771 85 T HA 0.332 nan 4.350 nan 0.000 0.281 85 T C -0.964 173.802 174.700 0.110 0.000 0.982 85 T CA -0.969 61.274 62.100 0.238 0.000 0.978 85 T CB 1.911 70.978 68.868 0.332 0.000 0.930 85 T HN 0.711 9.100 8.240 0.248 0.000 0.447 86 L N 7.415 128.641 121.223 0.006 0.000 2.302 86 L HA 0.328 nan 4.340 nan 0.000 0.285 86 L C 0.112 176.854 176.870 -0.212 0.000 1.090 86 L CA -1.348 53.424 54.840 -0.113 0.000 0.866 86 L CB -1.233 40.731 42.059 -0.158 0.000 1.244 86 L HN 0.641 8.877 8.230 0.011 0.000 0.435 87 I N -2.076 118.352 120.570 -0.236 0.000 3.860 87 I HA 0.052 nan 4.170 nan 0.000 0.319 87 I C -0.273 175.708 176.117 -0.227 0.000 1.279 87 I CA 0.309 61.434 61.300 -0.292 0.000 1.220 87 I CB 0.498 38.220 38.000 -0.464 0.000 1.027 87 I HN -0.482 7.623 8.210 -0.176 0.000 0.428 88 N N -1.483 117.088 118.700 -0.215 0.000 2.432 88 N HA -0.058 nan 4.740 nan 0.000 0.174 88 N C -1.568 173.916 175.510 -0.043 0.000 1.037 88 N CA 1.429 54.432 53.050 -0.078 0.000 0.892 88 N CB 1.516 40.075 38.487 0.120 0.000 1.049 88 N HN -0.005 8.139 8.380 -0.302 0.055 0.442 89 H N -6.379 112.671 119.070 -0.034 0.000 2.933 89 H HA 0.622 nan 4.556 nan 0.000 0.310 89 H C -2.064 173.229 175.328 -0.059 0.000 1.351 89 H CA -1.598 54.433 56.048 -0.028 0.000 1.137 89 H CB 2.797 32.553 29.762 -0.010 0.000 1.853 89 H HN -0.734 7.091 8.280 -0.759 0.000 0.539 90 M N -1.852 117.809 119.600 0.101 0.000 2.755 90 M HA 0.311 nan 4.480 nan 0.000 0.298 90 M C -1.010 175.291 176.300 0.002 0.000 1.251 90 M CA -2.447 52.764 55.300 -0.148 0.000 0.817 90 M CB 4.371 36.567 32.600 -0.674 0.000 1.760 90 M HN 0.028 8.428 8.290 0.183 0.000 0.473 91 A N -1.480 121.314 122.820 -0.043 0.000 2.507 91 A HA -0.005 nan 4.320 nan 0.000 0.235 91 A C -0.751 176.957 177.584 0.207 0.000 1.070 91 A CA 0.232 52.309 52.037 0.067 0.000 0.768 91 A CB 0.165 19.062 19.000 -0.171 0.000 1.011 91 A HN 0.092 8.115 8.150 -0.211 0.000 0.502 92 A N 1.777 124.705 122.820 0.180 0.000 2.286 92 A HA 0.295 nan 4.320 nan 0.000 0.286 92 A C 0.266 178.009 177.584 0.265 0.000 1.097 92 A CA -0.724 51.407 52.037 0.156 0.000 0.821 92 A CB 0.709 19.741 19.000 0.052 0.000 1.076 92 A HN -0.152 8.384 8.150 0.148 -0.297 0.490 93 G N 1.803 110.697 108.800 0.158 0.000 2.574 93 G HA2 -0.418 nan 3.960 nan 0.000 0.286 93 G HA3 -0.418 nan 3.960 nan 0.000 0.286 93 G C -1.175 173.757 174.900 0.054 0.000 1.212 93 G CA 0.342 45.500 45.100 0.097 0.000 0.979 93 G HN 0.408 8.753 8.290 0.092 0.000 0.557 94 S N 1.048 116.648 115.700 -0.168 0.000 2.632 94 S HA 0.661 nan 4.470 nan 0.000 0.289 94 S C -1.270 172.821 174.600 -0.848 0.000 1.115 94 S CA -0.755 57.060 58.200 -0.642 0.000 0.889 94 S CB 2.483 65.448 63.200 -0.392 0.000 1.116 94 S HN 0.013 8.267 8.310 -0.093 0.000 0.486 95 G N 1.124 109.158 108.800 -1.277 0.000 2.368 95 G HA2 -0.027 nan 3.960 nan 0.000 0.269 95 G HA3 -0.027 nan 3.960 nan 0.000 0.269 95 G C -3.247 171.360 174.900 -0.488 0.000 1.291 95 G CA 1.010 45.703 45.100 -0.679 0.000 0.903 95 G HN 0.047 7.464 8.290 -1.456 0.000 0.483 96 T N 1.239 115.777 114.554 -0.027 0.000 2.900 96 T HA 0.810 nan 4.350 nan 0.000 0.295 96 T C -1.153 173.688 174.700 0.236 0.000 1.044 96 T CA -1.818 60.346 62.100 0.108 0.000 0.995 96 T CB 2.553 71.433 68.868 0.020 0.000 1.072 96 T HN 0.272 8.535 8.240 0.039 0.000 0.473 97 G N 2.450 111.374 108.800 0.207 0.000 2.531 97 G HA2 0.611 nan 3.960 nan 0.000 0.313 97 G HA3 0.611 nan 3.960 nan 0.000 0.313 97 G C 0.689 175.589 174.900 -0.000 0.000 1.238 97 G CA -1.279 43.886 45.100 0.109 0.000 0.994 97 G HN 0.487 8.785 8.290 0.190 0.105 0.493 98 T N -3.473 111.010 114.554 -0.118 0.000 3.051 98 T HA -0.227 nan 4.350 nan 0.000 0.269 98 T C 0.532 175.191 174.700 -0.068 0.000 1.127 98 T CA 2.530 64.539 62.100 -0.151 0.000 1.107 98 T CB -0.287 68.366 68.868 -0.359 0.000 0.898 98 T HN 0.068 8.194 8.240 -0.190 0.000 0.517 99 A N 0.257 123.057 122.820 -0.035 0.000 2.465 99 A HA 0.323 nan 4.320 nan 0.000 0.255 99 A C 0.144 177.734 177.584 0.010 0.000 1.274 99 A CA -0.451 51.584 52.037 -0.003 0.000 0.920 99 A CB 0.487 19.491 19.000 0.007 0.000 1.033 99 A HN -0.360 7.976 8.150 -0.035 -0.208 0.516 100 G N -1.175 107.633 108.800 0.013 0.000 2.195 100 G HA2 -0.391 nan 3.960 nan 0.000 0.246 100 G HA3 -0.391 nan 3.960 nan 0.000 0.246 100 G C -0.427 174.493 174.900 0.033 0.000 0.984 100 G CA -0.171 44.940 45.100 0.019 0.000 0.633 100 G HN -0.120 7.998 8.290 0.007 0.176 0.525 101 N N 1.446 120.176 118.700 0.051 0.000 2.530 101 N HA 0.045 nan 4.740 nan 0.000 0.273 101 N C -0.786 174.794 175.510 0.117 0.000 1.173 101 N CA 0.787 53.880 53.050 0.072 0.000 0.967 101 N CB 1.057 39.591 38.487 0.078 0.000 1.109 101 N HN -0.319 8.245 8.380 0.045 -0.158 0.453 102 S N 1.249 116.997 115.700 0.080 0.000 2.654 102 S HA 0.768 nan 4.470 nan 0.000 0.283 102 S C -1.131 173.526 174.600 0.095 0.000 1.180 102 S CA -0.173 58.050 58.200 0.037 0.000 1.021 102 S CB 2.051 65.219 63.200 -0.052 0.000 1.018 102 S HN 0.073 8.414 8.310 0.052 0.000 0.532 103 F N -2.504 117.337 119.950 -0.181 0.000 2.693 103 F HA 0.741 nan 4.527 nan 0.000 0.309 103 F C -2.513 173.067 175.800 -0.366 0.000 1.129 103 F CA -1.764 55.995 58.000 -0.402 0.000 0.948 103 F CB 2.646 41.246 39.000 -0.666 0.000 1.315 103 F HN 0.251 8.309 8.300 -0.405 0.000 0.447 104 G N -1.391 107.180 108.800 -0.383 0.000 2.402 104 G HA2 0.024 nan 3.960 nan 0.000 0.301 104 G HA3 0.024 nan 3.960 nan 0.000 0.301 104 G C -1.563 173.217 174.900 -0.200 0.000 1.615 104 G CA 0.498 45.406 45.100 -0.319 0.000 0.889 104 G HN 0.028 8.072 8.290 -0.409 0.000 0.647 105 N N 1.444 120.064 118.700 -0.133 0.000 2.725 105 N HA -0.479 nan 4.740 nan 0.000 0.251 105 N C -0.216 175.249 175.510 -0.074 0.000 1.031 105 N CA 1.048 54.047 53.050 -0.085 0.000 0.720 105 N CB -1.151 37.296 38.487 -0.067 0.000 0.930 105 N HN 0.555 8.861 8.380 -0.122 0.000 0.543 106 K N -8.723 111.617 120.400 -0.100 0.000 3.160 106 K HA -0.458 nan 4.320 nan 0.000 0.280 106 K C -1.579 175.112 176.600 0.152 0.000 1.154 106 K CA 1.500 57.744 56.287 -0.072 0.000 0.822 106 K CB -0.920 31.451 32.500 -0.215 0.000 1.239 106 K HN 0.423 8.614 8.250 -0.099 0.000 0.489 107 S N -1.112 114.551 115.700 -0.061 0.000 2.498 107 S HA 0.405 nan 4.470 nan 0.000 0.317 107 S C -1.403 173.087 174.600 -0.183 0.000 1.090 107 S CA -0.334 57.892 58.200 0.043 0.000 1.089 107 S CB 1.267 64.460 63.200 -0.011 0.000 0.997 107 S HN -0.602 7.410 8.310 -0.253 0.146 0.470 108 F N 5.403 125.482 119.950 0.215 0.000 2.654 108 F HA 0.407 nan 4.527 nan 0.000 0.334 108 F C -1.453 174.392 175.800 0.076 0.000 1.078 108 F CA -2.496 55.606 58.000 0.169 0.000 0.986 108 F CB 0.813 39.926 39.000 0.188 0.000 1.362 108 F HN 0.587 9.200 8.300 0.522 0.000 0.498 109 P HA -0.128 nan 4.420 nan 0.000 0.218 109 P C -0.702 176.598 177.300 -0.001 0.000 1.148 109 P CA 2.258 65.398 63.100 0.067 0.000 0.822 109 P CB 0.078 31.794 31.700 0.025 0.000 0.784 110 I N -11.342 109.174 120.570 -0.091 0.000 4.082 110 I HA 0.228 nan 4.170 nan 0.000 0.337 110 I C -1.716 174.167 176.117 -0.390 0.000 1.352 110 I CA -0.743 60.373 61.300 -0.306 0.000 1.097 110 I CB 0.957 38.589 38.000 -0.614 0.000 1.048 110 I HN -0.117 8.050 8.210 -0.034 0.022 0.393 111 Y N -1.566 118.842 120.300 0.180 0.000 2.562 111 Y HA 0.556 nan 4.550 nan 0.000 0.345 111 Y C -1.732 174.340 175.900 0.286 0.000 1.045 111 Y CA -1.439 56.777 58.100 0.194 0.000 1.028 111 Y CB 3.750 42.263 38.460 0.088 0.000 1.297 111 Y HN -0.981 7.334 8.280 0.238 0.108 0.463 112 S N 0.733 116.666 115.700 0.388 0.000 2.704 112 S HA 0.660 nan 4.470 nan 0.000 0.305 112 S C -0.812 174.036 174.600 0.414 0.000 1.107 112 S CA -3.595 54.784 58.200 0.298 0.000 0.993 112 S CB 0.978 64.251 63.200 0.122 0.000 1.110 112 S HN 0.483 9.334 8.310 0.329 -0.344 0.534 113 P HA -0.169 nan 4.420 nan 0.000 0.219 113 P C 0.989 178.474 177.300 0.308 0.000 1.146 113 P CA 2.617 65.911 63.100 0.323 0.000 0.808 113 P CB 0.045 31.839 31.700 0.157 0.000 0.779 114 Q N -3.442 116.470 119.800 0.186 0.000 2.488 114 Q HA -0.157 nan 4.340 nan 0.000 0.211 114 Q C 0.660 176.698 176.000 0.064 0.000 0.967 114 Q CA 2.006 57.876 55.803 0.112 0.000 0.926 114 Q CB -1.016 27.756 28.738 0.057 0.000 0.992 114 Q HN -0.079 8.259 8.270 0.158 0.026 0.506 115 D N -0.623 119.796 120.400 0.032 0.000 2.328 115 D HA 0.090 nan 4.640 nan 0.000 0.221 115 D C -1.224 174.740 176.300 -0.560 0.000 1.072 115 D CA 1.429 55.300 54.000 -0.214 0.000 0.850 115 D CB 0.706 41.397 40.800 -0.182 0.000 0.922 115 D HN -0.294 7.990 8.370 0.147 0.175 0.516 116 F N -1.950 117.942 119.950 -0.097 0.000 2.579 116 F HA 0.390 nan 4.527 nan 0.000 0.324 116 F C -0.256 175.493 175.800 -0.084 0.000 1.058 116 F CA -1.164 56.740 58.000 -0.160 0.000 0.944 116 F CB 3.409 42.366 39.000 -0.072 0.000 1.245 116 F HN -0.776 7.548 8.300 0.178 0.082 0.477 117 H N -0.906 118.263 119.070 0.164 0.000 2.679 117 H HA -0.012 nan 4.556 nan 0.000 0.369 117 H C -0.127 175.264 175.328 0.104 0.000 1.178 117 H CA 0.137 56.239 56.048 0.089 0.000 1.419 117 H CB 0.982 30.762 29.762 0.030 0.000 1.458 117 H HN 0.500 8.732 8.280 -0.080 0.000 0.605 118 E N 1.834 122.165 120.200 0.219 0.000 2.414 118 E HA -0.136 nan 4.350 nan 0.000 0.263 118 E C -0.699 175.967 176.600 0.110 0.000 1.000 118 E CA -0.388 56.095 56.400 0.138 0.000 0.914 118 E CB -0.178 29.588 29.700 0.110 0.000 0.948 118 E HN 0.303 8.796 8.360 0.222 0.000 0.444 119 S N 1.711 117.455 115.700 0.074 0.000 2.546 119 S HA -0.128 nan 4.470 nan 0.000 0.290 119 S C -1.318 173.304 174.600 0.036 0.000 1.290 119 S CA 1.433 59.660 58.200 0.045 0.000 1.069 119 S CB 0.272 63.483 63.200 0.019 0.000 0.846 119 S HN 0.592 8.943 8.310 0.068 0.000 0.495 120 c N 1.546 120.161 118.600 0.025 0.000 3.285 120 c HA 0.333 nan 4.570 nan 0.000 0.325 120 c C -1.401 172.687 174.090 -0.003 0.000 1.304 120 c CA -1.889 54.450 56.329 0.016 0.000 1.319 120 c CB 3.463 45.992 42.510 0.031 0.000 1.640 120 c HN -0.006 8.237 8.230 0.022 0.000 0.477 121 T N 1.974 116.523 114.554 -0.008 0.000 2.829 121 T HA 0.550 nan 4.350 nan 0.000 0.282 121 T C -0.990 173.690 174.700 -0.034 0.000 0.990 121 T CA -0.025 62.062 62.100 -0.022 0.000 1.028 121 T CB 0.905 69.763 68.868 -0.017 0.000 0.951 121 T HN 0.306 8.545 8.240 -0.001 0.000 0.460 122 I N 5.464 126.003 120.570 -0.052 0.000 2.379 122 I HA -0.125 nan 4.170 nan 0.000 0.290 122 I C -0.753 175.328 176.117 -0.060 0.000 1.063 122 I CA 0.271 61.517 61.300 -0.090 0.000 1.351 122 I CB -0.022 37.905 38.000 -0.122 0.000 1.410 122 I HN -0.278 7.901 8.210 -0.053 0.000 0.505 123 N N 7.983 126.646 118.700 -0.061 0.000 2.495 123 N HA 0.166 nan 4.740 nan 0.000 0.280 123 N C 0.349 175.878 175.510 0.032 0.000 1.168 123 N CA -0.342 52.707 53.050 -0.002 0.000 0.978 123 N CB 1.154 39.642 38.487 0.003 0.000 1.191 123 N HN 0.303 9.009 8.380 -0.077 -0.372 0.497 124 N N 1.746 120.522 118.700 0.127 0.000 2.104 124 N HA -0.363 nan 4.740 nan 0.000 0.190 124 N C 1.466 177.112 175.510 0.227 0.000 1.024 124 N CA 3.287 56.489 53.050 0.253 0.000 0.853 124 N CB -0.116 38.468 38.487 0.162 0.000 1.008 124 N HN 0.586 9.024 8.380 0.097 0.000 0.424 125 S N -3.748 112.017 115.700 0.108 0.000 2.474 125 S HA -0.220 nan 4.470 nan 0.000 0.235 125 S C 1.390 176.021 174.600 0.052 0.000 0.997 125 S CA 2.467 60.716 58.200 0.081 0.000 0.949 125 S CB -0.777 62.452 63.200 0.049 0.000 0.766 125 S HN 0.107 8.465 8.310 0.080 0.000 0.517 126 D N 2.311 122.701 120.400 -0.016 0.000 2.178 126 D HA -0.209 nan 4.640 nan 0.000 0.201 126 D C 1.922 178.155 176.300 -0.111 0.000 0.980 126 D CA 2.824 56.766 54.000 -0.096 0.000 0.842 126 D CB -0.462 40.223 40.800 -0.191 0.000 0.948 126 D HN -0.407 7.790 8.370 -0.020 0.162 0.472 127 Y N -1.215 119.102 120.300 0.029 0.000 2.256 127 Y HA -0.326 nan 4.550 nan 0.000 0.288 127 Y C 1.939 177.848 175.900 0.015 0.000 1.155 127 Y CA 3.431 61.541 58.100 0.017 0.000 1.203 127 Y CB -0.520 37.947 38.460 0.012 0.000 0.980 127 Y HN -0.584 7.663 8.280 -0.025 0.018 0.530 128 G N -5.602 103.293 108.800 0.157 0.000 2.662 128 G HA2 -0.063 nan 3.960 nan 0.000 0.212 128 G HA3 -0.063 nan 3.960 nan 0.000 0.212 128 G C -0.300 174.637 174.900 0.062 0.000 1.141 128 G CA 0.108 45.268 45.100 0.100 0.000 0.797 128 G HN -0.412 7.952 8.290 0.158 0.021 0.531 129 N N -2.606 116.121 118.700 0.046 0.000 2.116 129 N HA -0.009 nan 4.740 nan 0.000 0.230 129 N C -1.153 174.372 175.510 0.024 0.000 1.326 129 N CA -0.616 52.453 53.050 0.032 0.000 0.867 129 N CB 1.737 40.240 38.487 0.027 0.000 1.174 129 N HN -0.873 7.431 8.380 0.044 0.102 0.506 130 D N 1.667 122.078 120.400 0.017 0.000 2.381 130 D HA 0.269 nan 4.640 nan 0.000 0.245 130 D C -0.776 175.537 176.300 0.022 0.000 1.297 130 D CA -0.387 53.629 54.000 0.027 0.000 0.931 130 D CB 1.941 42.756 40.800 0.025 0.000 1.334 130 D HN -0.127 8.248 8.370 0.010 0.000 0.535 131 R N 5.540 126.065 120.500 0.041 0.000 2.148 131 R HA -0.293 nan 4.340 nan 0.000 0.227 131 R C 0.741 177.059 176.300 0.030 0.000 1.103 131 R CA 2.443 58.560 56.100 0.029 0.000 0.983 131 R CB -0.487 29.838 30.300 0.041 0.000 0.874 131 R HN 0.232 8.531 8.270 0.049 0.000 0.451 132 Y N 1.018 121.294 120.300 -0.041 0.000 2.145 132 Y HA -0.392 nan 4.550 nan 0.000 0.286 132 Y C 1.561 177.421 175.900 -0.067 0.000 1.145 132 Y CA 3.496 61.564 58.100 -0.054 0.000 1.148 132 Y CB 0.087 38.516 38.460 -0.052 0.000 0.981 132 Y HN -0.530 7.942 8.280 0.187 -0.080 0.507 133 R N -1.862 118.658 120.500 0.032 0.000 2.075 133 R HA -0.410 nan 4.340 nan 0.000 0.232 133 R C 2.536 178.758 176.300 -0.131 0.000 1.126 133 R CA 3.457 59.522 56.100 -0.059 0.000 0.963 133 R CB -0.130 30.171 30.300 0.003 0.000 0.858 133 R HN -0.629 7.996 8.270 0.153 -0.264 0.435 134 V N -0.240 119.594 119.914 -0.133 0.000 2.392 134 V HA -0.383 nan 4.120 nan 0.000 0.249 134 V C 1.924 178.021 176.094 0.006 0.000 1.059 134 V CA 4.326 66.549 62.300 -0.128 0.000 1.051 134 V CB -0.776 30.944 31.823 -0.173 0.000 0.658 134 V HN -0.222 7.903 8.190 -0.108 0.000 0.455 135 Q N -4.618 115.135 119.800 -0.077 0.000 2.384 135 Q HA 0.003 nan 4.340 nan 0.000 0.207 135 Q C 1.235 177.152 176.000 -0.138 0.000 0.904 135 Q CA 2.011 57.787 55.803 -0.046 0.000 0.933 135 Q CB 0.536 29.245 28.738 -0.047 0.000 1.077 135 Q HN -0.278 7.883 8.270 -0.139 0.025 0.522 136 N N -3.002 115.486 118.700 -0.355 0.000 2.273 136 N HA 0.197 nan 4.740 nan 0.000 0.192 136 N C -0.309 175.065 175.510 -0.227 0.000 1.132 136 N CA 1.193 53.911 53.050 -0.552 0.000 0.887 136 N CB 2.862 40.668 38.487 -1.135 0.000 1.048 136 N HN -0.332 7.728 8.380 -0.365 0.101 0.490 137 c N -0.554 117.962 118.600 -0.141 0.000 2.345 137 c HA 0.191 nan 4.570 nan 0.000 0.369 137 c C -0.762 173.321 174.090 -0.012 0.000 1.273 137 c CA -0.230 56.070 56.329 -0.049 0.000 2.310 137 c CB 1.311 43.789 42.510 -0.053 0.000 2.219 137 c HN -0.154 7.880 8.230 -0.167 0.096 0.587 138 E N -0.185 120.002 120.200 -0.021 0.000 2.259 138 E HA 0.036 nan 4.350 nan 0.000 0.281 138 E C -1.241 175.296 176.600 -0.105 0.000 1.027 138 E CA -0.570 55.801 56.400 -0.049 0.000 0.838 138 E CB 0.948 30.622 29.700 -0.043 0.000 1.066 138 E HN 0.450 8.686 8.360 -0.020 0.112 0.401 139 L N 5.690 126.802 121.223 -0.185 0.000 2.325 139 L HA 0.137 nan 4.340 nan 0.000 0.284 139 L C -0.478 176.254 176.870 -0.229 0.000 1.089 139 L CA -0.345 54.337 54.840 -0.264 0.000 0.836 139 L CB 0.845 42.625 42.059 -0.466 0.000 1.184 139 L HN 0.468 8.589 8.230 -0.182 0.000 0.444 140 V N 1.676 121.494 119.914 -0.160 0.000 5.359 140 V HA -0.317 nan 4.120 nan 0.000 0.278 140 V C -0.013 175.988 176.094 -0.154 0.000 0.622 140 V CA 0.982 63.189 62.300 -0.155 0.000 0.649 140 V CB -3.141 28.563 31.823 -0.198 0.000 0.408 140 V HN 0.575 8.695 8.190 -0.117 0.000 0.918 141 G N -2.098 106.631 108.800 -0.118 0.000 2.179 141 G HA2 -0.341 nan 3.960 nan 0.000 0.260 141 G HA3 -0.341 nan 3.960 nan 0.000 0.260 141 G C 0.101 174.948 174.900 -0.089 0.000 0.977 141 G CA 0.110 45.156 45.100 -0.089 0.000 0.641 141 G HN -0.019 8.198 8.290 -0.105 0.010 0.533 142 L N 2.086 123.224 121.223 -0.143 0.000 2.462 142 L HA -0.128 nan 4.340 nan 0.000 0.272 142 L C -0.192 176.646 176.870 -0.055 0.000 1.166 142 L CA -0.500 54.259 54.840 -0.135 0.000 0.880 142 L CB -0.443 41.387 42.059 -0.382 0.000 1.142 142 L HN -0.417 7.517 8.230 -0.191 0.181 0.473 143 A N 5.816 128.616 122.820 -0.033 0.000 2.537 143 A HA -0.239 nan 4.320 nan 0.000 0.260 143 A C -0.996 176.672 177.584 0.140 0.000 1.082 143 A CA 0.689 52.665 52.037 -0.102 0.000 0.765 143 A CB 0.377 19.091 19.000 -0.476 0.000 1.019 143 A HN -0.002 8.140 8.150 -0.014 0.000 0.507 144 D N 5.209 125.718 120.400 0.182 0.000 2.336 144 D HA 0.195 nan 4.640 nan 0.000 0.249 144 D C -0.847 175.556 176.300 0.173 0.000 1.213 144 D CA -0.445 53.681 54.000 0.209 0.000 0.870 144 D CB 0.886 41.809 40.800 0.205 0.000 1.076 144 D HN 0.104 8.537 8.370 0.104 0.000 0.483 145 L N 4.853 126.048 121.223 -0.046 0.000 2.456 145 L HA -0.119 nan 4.340 nan 0.000 0.272 145 L C -0.077 176.399 176.870 -0.657 0.000 1.189 145 L CA 0.652 55.195 54.840 -0.495 0.000 0.846 145 L CB 0.634 42.351 42.059 -0.570 0.000 1.111 145 L HN -0.156 8.074 8.230 -0.000 0.000 0.475 146 D N 2.676 122.642 120.400 -0.723 0.000 2.470 146 D HA 0.075 nan 4.640 nan 0.000 0.226 146 D C 1.014 177.119 176.300 -0.325 0.000 1.196 146 D CA -0.769 52.829 54.000 -0.670 0.000 0.979 146 D CB -0.388 40.194 40.800 -0.363 0.000 1.059 146 D HN 0.230 8.069 8.370 -0.721 0.099 0.515 147 T N 0.753 115.166 114.554 -0.236 0.000 3.155 147 T HA -0.085 nan 4.350 nan 0.000 0.264 147 T C 0.535 175.201 174.700 -0.057 0.000 1.160 147 T CA 1.576 63.598 62.100 -0.130 0.000 1.075 147 T CB -0.792 68.023 68.868 -0.087 0.000 0.921 147 T HN -0.124 7.937 8.240 -0.261 0.023 0.533 148 A N 0.868 123.679 122.820 -0.015 0.000 2.195 148 A HA 0.122 nan 4.320 nan 0.000 0.210 148 A C -0.150 177.437 177.584 0.004 0.000 1.165 148 A CA -0.067 51.979 52.037 0.015 0.000 0.806 148 A CB 0.378 19.413 19.000 0.059 0.000 0.847 148 A HN -0.451 7.826 8.150 -0.015 -0.136 0.482 149 S N -0.122 115.570 115.700 -0.014 0.000 2.531 149 S HA -0.088 nan 4.470 nan 0.000 0.279 149 S C 1.140 175.750 174.600 0.017 0.000 1.305 149 S CA 0.443 58.649 58.200 0.011 0.000 1.058 149 S CB 1.483 64.689 63.200 0.011 0.000 0.899 149 S HN -0.484 7.723 8.310 -0.046 0.074 0.493 150 N N 9.850 128.574 118.700 0.040 0.000 2.166 150 N HA -0.308 nan 4.740 nan 0.000 0.186 150 N C 1.484 177.022 175.510 0.046 0.000 1.019 150 N CA 3.049 56.119 53.050 0.033 0.000 0.856 150 N CB -0.212 38.300 38.487 0.042 0.000 0.993 150 N HN 0.615 9.022 8.380 0.046 0.000 0.426 151 Y N -0.257 120.039 120.300 -0.008 0.000 2.114 151 Y HA -0.360 nan 4.550 nan 0.000 0.284 151 Y C 1.720 177.636 175.900 0.026 0.000 1.143 151 Y CA 3.802 61.905 58.100 0.005 0.000 1.135 151 Y CB 0.006 38.471 38.460 0.009 0.000 0.980 151 Y HN -0.555 7.838 8.280 0.203 0.009 0.499 152 V N -1.085 118.804 119.914 -0.042 0.000 2.332 152 V HA -0.572 nan 4.120 nan 0.000 0.248 152 V C 2.090 178.101 176.094 -0.137 0.000 1.055 152 V CA 4.035 66.285 62.300 -0.083 0.000 1.038 152 V CB -0.951 30.805 31.823 -0.111 0.000 0.651 152 V HN -0.603 7.661 8.190 0.124 0.000 0.450 153 Q N -1.377 118.353 119.800 -0.117 0.000 2.084 153 Q HA -0.432 nan 4.340 nan 0.000 0.202 153 Q C 2.652 178.573 176.000 -0.130 0.000 0.978 153 Q CA 3.482 59.217 55.803 -0.115 0.000 0.844 153 Q CB -0.313 28.377 28.738 -0.079 0.000 0.898 153 Q HN 0.143 8.363 8.270 -0.083 0.000 0.426 154 N N -0.153 118.458 118.700 -0.147 0.000 2.120 154 N HA -0.239 nan 4.740 nan 0.000 0.188 154 N C 2.498 177.898 175.510 -0.183 0.000 1.024 154 N CA 3.155 56.117 53.050 -0.146 0.000 0.852 154 N CB -0.302 38.106 38.487 -0.131 0.000 1.003 154 N HN -0.026 8.271 8.380 -0.139 0.000 0.424 155 T N 3.651 118.031 114.554 -0.289 0.000 2.737 155 T HA -0.231 nan 4.350 nan 0.000 0.265 155 T C 2.034 176.700 174.700 -0.058 0.000 1.038 155 T CA 4.786 66.746 62.100 -0.232 0.000 1.144 155 T CB -0.319 68.301 68.868 -0.414 0.000 0.866 155 T HN -0.121 7.809 8.240 -0.388 0.078 0.434 156 I N 0.761 121.287 120.570 -0.074 0.000 2.315 156 I HA -0.421 nan 4.170 nan 0.000 0.248 156 I C 1.126 177.149 176.117 -0.156 0.000 1.117 156 I CA 3.854 65.063 61.300 -0.152 0.000 1.404 156 I CB -0.414 37.470 38.000 -0.193 0.000 1.071 156 I HN -0.106 8.046 8.210 -0.098 0.000 0.419 157 A N -0.712 122.023 122.820 -0.141 0.000 1.969 157 A HA -0.300 nan 4.320 nan 0.000 0.218 157 A C 1.632 179.150 177.584 -0.111 0.000 1.169 157 A CA 3.156 55.111 52.037 -0.137 0.000 0.635 157 A CB -1.173 17.761 19.000 -0.110 0.000 0.810 157 A HN 0.021 8.073 8.150 -0.134 0.018 0.445 158 A N -0.997 121.779 122.820 -0.074 0.000 1.902 158 A HA -0.251 nan 4.320 nan 0.000 0.217 158 A C 1.428 179.006 177.584 -0.010 0.000 1.181 158 A CA 2.827 54.842 52.037 -0.037 0.000 0.623 158 A CB -0.869 18.120 19.000 -0.019 0.000 0.818 158 A HN -0.236 7.756 8.150 -0.080 0.110 0.443 159 Y N -0.174 120.023 120.300 -0.171 0.000 2.114 159 Y HA -0.415 nan 4.550 nan 0.000 0.284 159 Y C 1.739 177.522 175.900 -0.194 0.000 1.143 159 Y CA 2.866 60.840 58.100 -0.211 0.000 1.135 159 Y CB -0.056 38.120 38.460 -0.473 0.000 0.980 159 Y HN -0.758 7.548 8.280 0.043 0.000 0.499 160 I N -1.514 118.846 120.570 -0.351 0.000 2.163 160 I HA -0.731 nan 4.170 nan 0.000 0.243 160 I C 2.082 178.007 176.117 -0.319 0.000 1.085 160 I CA 4.279 65.246 61.300 -0.556 0.000 1.347 160 I CB -0.468 37.142 38.000 -0.651 0.000 1.044 160 I HN -0.077 8.011 8.210 -0.204 0.000 0.408 161 N N -0.847 117.737 118.700 -0.193 0.000 2.223 161 N HA -0.287 nan 4.740 nan 0.000 0.185 161 N C 2.460 177.939 175.510 -0.052 0.000 1.016 161 N CA 2.925 55.920 53.050 -0.092 0.000 0.863 161 N CB -0.847 37.599 38.487 -0.068 0.000 0.983 161 N HN 0.044 8.310 8.380 -0.189 0.000 0.429 162 D N 1.295 121.652 120.400 -0.072 0.000 2.117 162 D HA -0.156 nan 4.640 nan 0.000 0.198 162 D C 2.282 178.562 176.300 -0.033 0.000 0.982 162 D CA 3.080 57.057 54.000 -0.038 0.000 0.828 162 D CB -0.013 40.774 40.800 -0.021 0.000 0.967 162 D HN -0.272 7.925 8.370 -0.102 0.112 0.464 163 L N -1.037 120.135 121.223 -0.085 0.000 2.093 163 L HA -0.396 nan 4.340 nan 0.000 0.208 163 L C 2.213 179.145 176.870 0.103 0.000 1.085 163 L CA 2.940 57.783 54.840 0.005 0.000 0.755 163 L CB -0.230 41.826 42.059 -0.005 0.000 0.904 163 L HN -0.287 7.752 8.230 -0.185 0.080 0.435 164 Q N -1.675 118.207 119.800 0.135 0.000 2.124 164 Q HA -0.338 nan 4.340 nan 0.000 0.202 164 Q C 2.909 178.943 176.000 0.057 0.000 0.977 164 Q CA 3.110 58.989 55.803 0.126 0.000 0.850 164 Q CB -0.295 28.518 28.738 0.124 0.000 0.901 164 Q HN -0.102 8.153 8.270 0.102 0.076 0.429 165 A N 0.557 123.399 122.820 0.037 0.000 1.940 165 A HA -0.181 nan 4.320 nan 0.000 0.219 165 A C 1.129 178.728 177.584 0.025 0.000 1.176 165 A CA 2.776 54.827 52.037 0.024 0.000 0.631 165 A CB -0.444 18.566 19.000 0.017 0.000 0.814 165 A HN -0.254 7.812 8.150 0.031 0.103 0.446 166 I N -8.411 112.181 120.570 0.037 0.000 3.684 166 I HA 0.169 nan 4.170 nan 0.000 0.304 166 I C 0.234 176.357 176.117 0.010 0.000 1.278 166 I CA -0.197 61.124 61.300 0.036 0.000 1.272 166 I CB 0.057 38.100 38.000 0.071 0.000 1.029 166 I HN -0.544 7.584 8.210 0.046 0.109 0.458 167 G N -1.366 107.439 108.800 0.008 0.000 2.296 167 G HA2 -0.293 nan 3.960 nan 0.000 0.188 167 G HA3 -0.293 nan 3.960 nan 0.000 0.188 167 G C -1.210 173.665 174.900 -0.041 0.000 1.000 167 G CA -0.264 44.822 45.100 -0.023 0.000 0.672 167 G HN -0.469 7.638 8.290 0.024 0.198 0.483 168 V N 0.748 120.646 119.914 -0.027 0.000 2.599 168 V HA -0.237 nan 4.120 nan 0.000 0.300 168 V C 0.714 176.737 176.094 -0.119 0.000 1.034 168 V CA 1.560 63.801 62.300 -0.098 0.000 1.115 168 V CB -0.368 31.390 31.823 -0.109 0.000 0.934 168 V HN -0.417 7.784 8.190 0.018 0.000 0.485 169 K N 4.628 124.950 120.400 -0.131 0.000 2.354 169 K HA 0.264 nan 4.320 nan 0.000 0.194 169 K C -0.497 176.014 176.600 -0.148 0.000 1.038 169 K CA -0.794 55.455 56.287 -0.063 0.000 1.052 169 K CB 1.312 33.829 32.500 0.028 0.000 0.861 169 K HN 0.149 8.330 8.250 -0.115 0.000 0.535 170 G N -3.108 105.447 108.800 -0.408 0.000 2.684 170 G HA2 0.657 nan 3.960 nan 0.000 0.290 170 G HA3 0.657 nan 3.960 nan 0.000 0.290 170 G C -2.996 171.230 174.900 -1.124 0.000 1.425 170 G CA 0.189 44.883 45.100 -0.676 0.000 0.822 170 G HN -0.679 7.353 8.290 -0.430 0.000 0.482 171 F N -3.322 116.453 119.950 -0.291 0.000 2.608 171 F HA 0.619 nan 4.527 nan 0.000 0.309 171 F C -2.266 173.271 175.800 -0.438 0.000 1.103 171 F CA -1.020 56.845 58.000 -0.224 0.000 0.954 171 F CB 5.237 44.146 39.000 -0.152 0.000 1.267 171 F HN 0.689 8.772 8.300 -0.361 0.000 0.444 172 R N 1.250 121.614 120.500 -0.226 0.000 2.295 172 R HA 0.590 nan 4.340 nan 0.000 0.324 172 R C -1.309 174.937 176.300 -0.090 0.000 0.968 172 R CA -1.640 54.043 56.100 -0.696 0.000 0.837 172 R CB 2.194 32.102 30.300 -0.654 0.000 1.133 172 R HN 0.655 8.825 8.270 0.009 0.104 0.450 173 F N 7.725 127.517 119.950 -0.263 0.000 2.368 173 F HA 0.316 nan 4.527 nan 0.000 0.362 173 F C -0.904 174.857 175.800 -0.064 0.000 1.137 173 F CA -3.698 54.239 58.000 -0.104 0.000 1.161 173 F CB -0.875 38.082 39.000 -0.071 0.000 1.265 173 F HN 0.803 8.908 8.300 -0.325 0.000 0.530 174 D N 4.737 125.251 120.400 0.191 0.000 2.382 174 D HA -0.027 nan 4.640 nan 0.000 0.245 174 D C 0.054 176.457 176.300 0.173 0.000 1.120 174 D CA 0.681 54.801 54.000 0.200 0.000 0.890 174 D CB 1.624 42.600 40.800 0.295 0.000 1.201 174 D HN 0.264 8.750 8.370 0.193 0.000 0.433 175 A N 4.697 127.639 122.820 0.202 0.000 2.745 175 A HA -0.429 nan 4.320 nan 0.000 0.296 175 A C 1.139 178.834 177.584 0.184 0.000 1.500 175 A CA 1.062 53.252 52.037 0.255 0.000 0.766 175 A CB -1.634 17.564 19.000 0.329 0.000 1.030 175 A HN 0.474 9.040 8.150 0.201 -0.295 0.489 176 S N 0.292 116.025 115.700 0.056 0.000 2.400 176 S HA -0.347 nan 4.470 nan 0.000 0.232 176 S C 1.776 176.271 174.600 -0.176 0.000 1.025 176 S CA 4.062 62.224 58.200 -0.064 0.000 0.993 176 S CB -0.106 62.980 63.200 -0.190 0.000 0.808 176 S HN -0.088 8.256 8.310 0.057 0.000 0.478 177 K N 1.245 121.506 120.400 -0.232 0.000 2.211 177 K HA -0.282 nan 4.320 nan 0.000 0.204 177 K C 0.883 177.385 176.600 -0.163 0.000 1.047 177 K CA 2.220 58.375 56.287 -0.220 0.000 0.935 177 K CB -0.112 32.228 32.500 -0.266 0.000 0.728 177 K HN -0.860 7.270 8.250 -0.180 0.012 0.452 178 H N -3.518 115.603 119.070 0.086 0.000 2.533 178 H HA 0.025 nan 4.556 nan 0.000 0.271 178 H C -0.452 174.929 175.328 0.088 0.000 1.000 178 H CA 0.514 56.614 56.048 0.086 0.000 1.149 178 H CB 0.061 29.879 29.762 0.093 0.000 1.375 178 H HN -0.612 7.572 8.280 0.090 0.150 0.582 179 V N -0.022 119.998 119.914 0.176 0.000 2.588 179 V HA 0.156 nan 4.120 nan 0.000 0.304 179 V C -1.621 174.591 176.094 0.197 0.000 1.042 179 V CA -1.676 60.716 62.300 0.154 0.000 0.877 179 V CB 2.696 34.584 31.823 0.109 0.000 0.996 179 V HN -0.417 7.677 8.190 0.164 0.194 0.425 180 A N 5.482 128.373 122.820 0.118 0.000 2.540 180 A HA -0.020 nan 4.320 nan 0.000 0.239 180 A C 0.751 178.369 177.584 0.056 0.000 1.061 180 A CA 0.611 52.692 52.037 0.072 0.000 0.758 180 A CB 0.658 19.676 19.000 0.030 0.000 0.991 180 A HN 0.675 8.879 8.150 0.091 0.000 0.502 181 A N 2.629 125.391 122.820 -0.097 0.000 1.978 181 A HA -0.359 nan 4.320 nan 0.000 0.220 181 A C 1.473 179.018 177.584 -0.066 0.000 1.170 181 A CA 2.964 54.874 52.037 -0.210 0.000 0.636 181 A CB -0.655 18.008 19.000 -0.562 0.000 0.810 181 A HN 0.778 8.830 8.150 -0.163 0.000 0.448 182 S N -3.310 112.360 115.700 -0.050 0.000 2.423 182 S HA -0.346 nan 4.470 nan 0.000 0.231 182 S C 1.793 176.393 174.600 0.001 0.000 1.014 182 S CA 2.848 61.035 58.200 -0.021 0.000 0.965 182 S CB -0.784 62.406 63.200 -0.018 0.000 0.785 182 S HN 0.012 8.265 8.310 -0.059 0.022 0.495 183 D N 3.057 123.464 120.400 0.012 0.000 2.149 183 D HA -0.126 nan 4.640 nan 0.000 0.201 183 D C 2.122 178.424 176.300 0.004 0.000 0.972 183 D CA 2.926 56.931 54.000 0.009 0.000 0.835 183 D CB -0.262 40.547 40.800 0.015 0.000 0.966 183 D HN -0.478 7.765 8.370 0.016 0.137 0.476 184 I N 0.194 120.788 120.570 0.039 0.000 2.315 184 I HA -0.543 nan 4.170 nan 0.000 0.248 184 I C 1.714 177.872 176.117 0.068 0.000 1.117 184 I CA 3.896 65.238 61.300 0.069 0.000 1.404 184 I CB -0.206 37.909 38.000 0.192 0.000 1.071 184 I HN -0.519 7.650 8.210 0.059 0.077 0.419 185 Q N -0.913 118.914 119.800 0.046 0.000 2.084 185 Q HA -0.404 nan 4.340 nan 0.000 0.202 185 Q C 2.720 178.730 176.000 0.017 0.000 0.978 185 Q CA 3.486 59.307 55.803 0.031 0.000 0.844 185 Q CB -0.293 28.451 28.738 0.010 0.000 0.898 185 Q HN -0.053 8.159 8.270 0.034 0.078 0.426 186 S N -0.656 115.047 115.700 0.005 0.000 2.368 186 S HA -0.247 nan 4.470 nan 0.000 0.224 186 S C 2.063 176.653 174.600 -0.016 0.000 1.029 186 S CA 3.031 61.228 58.200 -0.005 0.000 0.988 186 S CB -0.068 63.127 63.200 -0.008 0.000 0.838 186 S HN -0.622 7.691 8.310 0.006 0.000 0.462 187 L N 1.623 122.831 121.223 -0.025 0.000 2.017 187 L HA -0.241 nan 4.340 nan 0.000 0.208 187 L C 2.285 179.140 176.870 -0.026 0.000 1.073 187 L CA 2.807 57.616 54.840 -0.052 0.000 0.745 187 L CB 0.000 41.998 42.059 -0.103 0.000 0.894 187 L HN -0.286 7.853 8.230 -0.018 0.080 0.432 188 M N -2.494 117.118 119.600 0.020 0.000 2.267 188 M HA -0.326 nan 4.480 nan 0.000 0.263 188 M C 2.541 178.845 176.300 0.007 0.000 1.063 188 M CA 1.708 57.031 55.300 0.038 0.000 1.090 188 M CB -1.863 30.782 32.600 0.074 0.000 1.392 188 M HN 0.227 8.539 8.290 0.037 0.000 0.422 189 A N -1.216 121.604 122.820 -0.001 0.000 2.121 189 A HA -0.152 nan 4.320 nan 0.000 0.218 189 A C 0.901 178.476 177.584 -0.016 0.000 1.154 189 A CA 2.308 54.341 52.037 -0.007 0.000 0.679 189 A CB -0.798 18.199 19.000 -0.006 0.000 0.795 189 A HN -0.297 7.724 8.150 0.001 0.129 0.458 190 K N -4.562 115.823 120.400 -0.026 0.000 2.367 190 K HA 0.065 nan 4.320 nan 0.000 0.194 190 K C -1.049 175.525 176.600 -0.045 0.000 1.027 190 K CA -0.175 56.091 56.287 -0.036 0.000 1.075 190 K CB 0.796 33.267 32.500 -0.048 0.000 0.845 190 K HN -0.419 7.651 8.250 -0.026 0.164 0.529 191 V N 0.591 120.480 119.914 -0.043 0.000 2.461 191 V HA -0.103 nan 4.120 nan 0.000 0.275 191 V C -0.106 175.967 176.094 -0.035 0.000 1.047 191 V CA -0.278 61.988 62.300 -0.056 0.000 0.955 191 V CB 0.101 31.886 31.823 -0.063 0.000 0.988 191 V HN -0.707 7.280 8.190 -0.031 0.185 0.471 192 N N 6.718 125.397 118.700 -0.035 0.000 2.492 192 N HA -0.053 nan 4.740 nan 0.000 0.262 192 N C 0.344 175.852 175.510 -0.005 0.000 1.202 192 N CA 0.504 53.544 53.050 -0.017 0.000 0.926 192 N CB 0.335 38.814 38.487 -0.013 0.000 1.078 192 N HN 0.312 9.032 8.380 -0.049 -0.369 0.454 193 G N 3.244 112.042 108.800 -0.003 0.000 2.578 193 G HA2 -0.366 nan 3.960 nan 0.000 0.275 193 G HA3 -0.366 nan 3.960 nan 0.000 0.275 193 G C -1.413 173.488 174.900 0.002 0.000 1.271 193 G CA 1.148 46.249 45.100 0.001 0.000 0.941 193 G HN 0.426 8.713 8.290 -0.005 0.000 0.564 194 S N 0.119 115.822 115.700 0.004 0.000 2.279 194 S HA 0.294 nan 4.470 nan 0.000 0.176 194 S C -2.072 172.531 174.600 0.004 0.000 1.554 194 S CA -2.056 56.144 58.200 -0.001 0.000 1.242 194 S CB 0.835 64.027 63.200 -0.014 0.000 1.163 194 S HN 0.140 8.454 8.310 0.006 0.000 0.449 195 P HA 0.223 nan 4.420 nan 0.000 0.274 195 P C -1.428 175.861 177.300 -0.019 0.000 1.256 195 P CA -0.518 62.618 63.100 0.060 0.000 0.795 195 P CB 1.052 32.909 31.700 0.262 0.000 1.038 196 V N 0.818 120.669 119.914 -0.104 0.000 2.508 196 V HA -0.004 nan 4.120 nan 0.000 0.281 196 V C -0.811 175.143 176.094 -0.233 0.000 1.041 196 V CA 0.783 62.957 62.300 -0.210 0.000 1.016 196 V CB -0.066 31.529 31.823 -0.380 0.000 0.984 196 V HN -0.058 8.066 8.190 -0.110 0.000 0.478 197 V N 6.067 125.862 119.914 -0.198 0.000 2.638 197 V HA 0.745 nan 4.120 nan 0.000 0.306 197 V C -1.751 174.248 176.094 -0.158 0.000 1.052 197 V CA -1.444 60.672 62.300 -0.305 0.000 0.885 197 V CB 2.479 34.016 31.823 -0.477 0.000 0.999 197 V HN 0.219 8.317 8.190 -0.154 0.000 0.424 198 F N 4.798 124.552 119.950 -0.328 0.000 2.529 198 F HA 0.849 nan 4.527 nan 0.000 0.320 198 F C -2.600 173.149 175.800 -0.085 0.000 1.118 198 F CA -2.913 54.996 58.000 -0.153 0.000 0.915 198 F CB 2.952 41.908 39.000 -0.073 0.000 1.161 198 F HN 0.852 8.912 8.300 -0.400 0.000 0.445 199 Q N 2.991 122.810 119.800 0.033 0.000 2.271 199 Q HA 0.330 nan 4.340 nan 0.000 0.258 199 Q C -1.371 174.690 176.000 0.102 0.000 0.936 199 Q CA -1.582 54.234 55.803 0.023 0.000 0.909 199 Q CB 2.212 30.985 28.738 0.057 0.000 1.253 199 Q HN 0.895 9.036 8.270 0.146 0.216 0.440 200 E N 5.099 125.353 120.200 0.089 0.000 2.070 200 E HA 0.226 nan 4.350 nan 0.000 0.282 200 E C -1.854 174.796 176.600 0.082 0.000 1.104 200 E CA 0.195 56.715 56.400 0.201 0.000 0.876 200 E CB 0.888 30.718 29.700 0.217 0.000 1.055 200 E HN -0.088 8.302 8.360 0.050 0.000 0.401 201 V N 7.529 127.511 119.914 0.113 0.000 2.447 201 V HA 0.272 nan 4.120 nan 0.000 0.292 201 V C -1.004 175.090 176.094 -0.000 0.000 1.021 201 V CA -1.127 61.148 62.300 -0.040 0.000 0.850 201 V CB 2.065 33.812 31.823 -0.126 0.000 1.005 201 V HN 0.214 8.569 8.190 0.275 0.000 0.426 202 I N 7.574 128.005 120.570 -0.232 0.000 2.291 202 I HA 0.039 nan 4.170 nan 0.000 0.292 202 I C -1.385 174.628 176.117 -0.173 0.000 1.064 202 I CA -0.006 61.027 61.300 -0.444 0.000 1.269 202 I CB 0.453 38.015 38.000 -0.731 0.000 1.418 202 I HN 0.172 8.246 8.210 -0.225 0.000 0.485 203 D N 7.967 128.347 120.400 -0.034 0.000 2.402 203 D HA 0.150 nan 4.640 nan 0.000 0.252 203 D C -1.039 175.289 176.300 0.046 0.000 1.294 203 D CA -1.028 52.981 54.000 0.016 0.000 0.948 203 D CB 1.377 42.216 40.800 0.065 0.000 1.202 203 D HN 0.165 8.560 8.370 0.042 0.000 0.561 204 Q N 1.961 121.778 119.800 0.027 0.000 2.188 204 Q HA 0.116 nan 4.340 nan 0.000 0.212 204 Q C 0.585 176.619 176.000 0.057 0.000 0.846 204 Q CA -0.639 55.195 55.803 0.052 0.000 0.989 204 Q CB 0.345 29.109 28.738 0.043 0.000 1.114 204 Q HN 0.286 8.554 8.270 -0.003 0.000 0.488 205 G N -0.249 108.583 108.800 0.054 0.000 2.697 205 G HA2 -0.197 nan 3.960 nan 0.000 0.686 205 G HA3 -0.197 nan 3.960 nan 0.000 0.686 205 G C -0.531 174.396 174.900 0.045 0.000 1.179 205 G CA -0.645 44.489 45.100 0.055 0.000 0.765 205 G HN -0.075 8.466 8.290 0.051 -0.221 0.649 206 G N 0.371 109.199 108.800 0.047 0.000 2.176 206 G HA2 -0.384 nan 3.960 nan 0.000 0.252 206 G HA3 -0.384 nan 3.960 nan 0.000 0.252 206 G C -0.714 174.220 174.900 0.056 0.000 1.024 206 G CA -0.152 44.975 45.100 0.046 0.000 0.755 206 G HN 0.186 8.505 8.290 0.049 0.000 0.507 207 E N -0.607 119.630 120.200 0.063 0.000 2.248 207 E HA 0.180 nan 4.350 nan 0.000 0.272 207 E C -0.543 176.104 176.600 0.078 0.000 1.008 207 E CA -1.291 55.158 56.400 0.083 0.000 0.856 207 E CB 1.524 31.272 29.700 0.080 0.000 1.120 207 E HN -0.541 7.854 8.360 0.059 0.000 0.397 208 A N 2.122 124.993 122.820 0.084 0.000 2.016 208 A HA -0.000 nan 4.320 nan 0.000 0.217 208 A C -1.005 176.618 177.584 0.065 0.000 1.162 208 A CA 2.118 54.192 52.037 0.063 0.000 0.662 208 A CB 0.933 19.965 19.000 0.052 0.000 0.812 208 A HN 0.827 9.041 8.150 0.107 0.000 0.450 209 V N -3.300 116.664 119.914 0.083 0.000 2.357 209 V HA 0.282 nan 4.120 nan 0.000 0.284 209 V C -0.294 175.879 176.094 0.131 0.000 1.018 209 V CA -0.864 61.498 62.300 0.104 0.000 0.841 209 V CB -0.196 31.694 31.823 0.113 0.000 0.991 209 V HN -0.342 7.879 8.190 0.094 0.026 0.437 210 G N 4.356 113.238 108.800 0.137 0.000 2.434 210 G HA2 0.447 nan 3.960 nan 0.000 0.330 210 G HA3 0.447 nan 3.960 nan 0.000 0.330 210 G C -0.484 174.557 174.900 0.235 0.000 1.155 210 G CA -1.314 43.874 45.100 0.147 0.000 0.917 210 G HN -0.169 8.448 8.290 0.109 -0.261 0.493 211 A N 2.815 125.759 122.820 0.206 0.000 1.940 211 A HA -0.240 nan 4.320 nan 0.000 0.219 211 A C 1.986 179.735 177.584 0.275 0.000 1.176 211 A CA 3.001 55.190 52.037 0.254 0.000 0.631 211 A CB -0.081 19.025 19.000 0.176 0.000 0.814 211 A HN 0.376 8.972 8.150 0.154 -0.354 0.446 212 S N -2.001 113.804 115.700 0.176 0.000 2.440 212 S HA -0.320 nan 4.470 nan 0.000 0.238 212 S C 2.267 176.914 174.600 0.079 0.000 1.010 212 S CA 3.094 61.367 58.200 0.122 0.000 0.972 212 S CB -0.864 62.388 63.200 0.086 0.000 0.774 212 S HN 0.324 8.711 8.310 0.152 0.015 0.501 213 E N 2.024 122.251 120.200 0.046 0.000 2.268 213 E HA -0.226 nan 4.350 nan 0.000 0.195 213 E C 1.550 177.957 176.600 -0.321 0.000 0.995 213 E CA 2.270 58.565 56.400 -0.174 0.000 0.836 213 E CB -0.064 29.437 29.700 -0.331 0.000 0.763 213 E HN -0.585 7.694 8.360 0.126 0.157 0.491 214 Y N -4.090 116.245 120.300 0.059 0.000 2.457 214 Y HA 0.035 nan 4.550 nan 0.000 0.263 214 Y C 1.304 177.240 175.900 0.059 0.000 1.164 214 Y CA -0.119 58.022 58.100 0.067 0.000 1.274 214 Y CB -0.074 38.439 38.460 0.088 0.000 1.097 214 Y HN -0.339 7.971 8.280 0.301 0.151 0.523 215 L N -1.347 119.961 121.223 0.142 0.000 2.275 215 L HA -0.337 nan 4.340 nan 0.000 0.215 215 L C 0.834 177.740 176.870 0.060 0.000 1.119 215 L CA 2.444 57.342 54.840 0.097 0.000 0.790 215 L CB -0.649 41.453 42.059 0.073 0.000 0.919 215 L HN -0.877 7.364 8.230 0.112 0.056 0.443 216 S N -4.156 111.569 115.700 0.043 0.000 2.528 216 S HA -0.061 nan 4.470 nan 0.000 0.219 216 S C 1.044 175.665 174.600 0.035 0.000 0.985 216 S CA 1.808 60.023 58.200 0.025 0.000 0.914 216 S CB 0.431 63.635 63.200 0.006 0.000 0.776 216 S HN -0.038 8.255 8.310 0.036 0.039 0.526 217 T N -4.330 110.265 114.554 0.068 0.000 3.069 217 T HA 0.296 nan 4.350 nan 0.000 0.252 217 T C 0.057 174.790 174.700 0.056 0.000 1.053 217 T CA -0.289 61.861 62.100 0.083 0.000 0.964 217 T CB 0.651 69.607 68.868 0.147 0.000 1.005 217 T HN -0.534 7.721 8.240 0.091 0.039 0.532 218 G N 0.778 109.607 108.800 0.049 0.000 2.356 218 G HA2 -0.083 nan 3.960 nan 0.000 0.288 218 G HA3 -0.083 nan 3.960 nan 0.000 0.288 218 G C -2.364 172.564 174.900 0.047 0.000 1.302 218 G CA 0.081 45.188 45.100 0.011 0.000 0.887 218 G HN -0.875 7.409 8.290 0.066 0.046 0.521 219 L N -0.829 120.423 121.223 0.049 0.000 2.472 219 L HA 0.489 nan 4.340 nan 0.000 0.260 219 L C -0.663 176.301 176.870 0.157 0.000 1.209 219 L CA 0.653 55.547 54.840 0.091 0.000 0.817 219 L CB 0.808 42.927 42.059 0.100 0.000 1.106 219 L HN -0.050 8.192 8.230 0.021 0.000 0.479 220 V N -1.740 118.271 119.914 0.161 0.000 2.789 220 V HA 0.535 nan 4.120 nan 0.000 0.311 220 V C -0.290 175.930 176.094 0.210 0.000 1.073 220 V CA -1.515 60.903 62.300 0.196 0.000 0.921 220 V CB 3.336 35.265 31.823 0.176 0.000 1.009 220 V HN 0.785 9.047 8.190 0.120 0.000 0.426 221 T N 2.772 117.504 114.554 0.297 0.000 2.817 221 T HA 0.074 nan 4.350 nan 0.000 0.295 221 T C -0.115 174.699 174.700 0.189 0.000 0.958 221 T CA -0.660 61.612 62.100 0.287 0.000 1.157 221 T CB -0.234 68.940 68.868 0.510 0.000 0.898 221 T HN 0.493 8.928 8.240 0.325 0.000 0.536 222 E N 7.807 127.982 120.200 -0.042 0.000 1.998 222 E HA 0.178 nan 4.350 nan 0.000 0.257 222 E C 0.022 176.473 176.600 -0.248 0.000 1.038 222 E CA -2.654 53.699 56.400 -0.078 0.000 0.869 222 E CB -0.506 29.151 29.700 -0.072 0.000 1.135 222 E HN 0.150 8.427 8.360 -0.137 0.000 0.430 223 F N 5.971 125.835 119.950 -0.144 0.000 2.408 223 F HA -0.338 nan 4.527 nan 0.000 0.300 223 F C 1.042 176.738 175.800 -0.173 0.000 1.090 223 F CA 3.273 61.201 58.000 -0.119 0.000 1.427 223 F CB -0.035 38.983 39.000 0.031 0.000 1.070 223 F HN -0.148 8.406 8.300 0.422 0.000 0.549 224 K N -0.331 119.986 120.400 -0.139 0.000 2.147 224 K HA -0.415 nan 4.320 nan 0.000 0.205 224 K C 1.753 178.058 176.600 -0.492 0.000 1.049 224 K CA 3.148 59.261 56.287 -0.291 0.000 0.936 224 K CB -0.442 31.786 32.500 -0.454 0.000 0.722 224 K HN -0.291 8.105 8.250 -0.127 -0.223 0.446 225 Y N 0.863 120.667 120.300 -0.828 0.000 2.089 225 Y HA -0.455 nan 4.550 nan 0.000 0.282 225 Y C 1.532 177.334 175.900 -0.163 0.000 1.139 225 Y CA 3.632 61.391 58.100 -0.568 0.000 1.123 225 Y CB 0.025 38.195 38.460 -0.485 0.000 0.980 225 Y HN -0.491 7.424 8.280 -0.570 0.023 0.493 226 S N -2.288 113.409 115.700 -0.005 0.000 2.365 226 S HA -0.442 nan 4.470 nan 0.000 0.225 226 S C 2.527 177.189 174.600 0.104 0.000 1.039 226 S CA 3.867 62.100 58.200 0.056 0.000 1.033 226 S CB -0.242 62.958 63.200 -0.001 0.000 0.887 226 S HN -0.075 8.097 8.310 -0.229 0.000 0.447 227 T N 4.915 119.529 114.554 0.100 0.000 2.737 227 T HA -0.225 nan 4.350 nan 0.000 0.265 227 T C 2.432 177.231 174.700 0.164 0.000 1.038 227 T CA 5.068 67.249 62.100 0.136 0.000 1.144 227 T CB -0.428 68.525 68.868 0.141 0.000 0.866 227 T HN -0.453 7.824 8.240 0.062 0.000 0.434 228 E N 1.383 121.706 120.200 0.205 0.000 2.107 228 E HA -0.197 nan 4.350 nan 0.000 0.191 228 E C 2.290 179.014 176.600 0.208 0.000 0.982 228 E CA 2.456 59.061 56.400 0.342 0.000 0.809 228 E CB -0.647 29.428 29.700 0.625 0.000 0.756 228 E HN 0.038 8.488 8.360 0.149 0.000 0.459 229 L N 0.068 121.351 121.223 0.101 0.000 2.017 229 L HA -0.281 nan 4.340 nan 0.000 0.208 229 L C 1.758 178.658 176.870 0.050 0.000 1.073 229 L CA 3.351 58.135 54.840 -0.093 0.000 0.745 229 L CB -0.387 41.589 42.059 -0.139 0.000 0.894 229 L HN 0.202 8.511 8.230 0.131 0.000 0.432 230 G N -2.814 106.035 108.800 0.082 0.000 2.418 230 G HA2 -0.493 nan 3.960 nan 0.000 0.217 230 G HA3 -0.493 nan 3.960 nan 0.000 0.217 230 G C 0.985 175.961 174.900 0.126 0.000 1.158 230 G CA 2.258 47.420 45.100 0.103 0.000 0.771 230 G HN -0.105 8.239 8.290 0.089 0.000 0.545 231 N N 0.419 119.203 118.700 0.139 0.000 2.142 231 N HA -0.182 nan 4.740 nan 0.000 0.186 231 N C 2.376 177.966 175.510 0.133 0.000 1.023 231 N CA 3.054 56.193 53.050 0.149 0.000 0.852 231 N CB 0.213 38.814 38.487 0.191 0.000 0.998 231 N HN -0.125 8.266 8.380 0.150 0.079 0.424 232 T N 2.982 117.610 114.554 0.123 0.000 2.737 232 T HA -0.245 nan 4.350 nan 0.000 0.265 232 T C 2.474 177.063 174.700 -0.186 0.000 1.038 232 T CA 4.817 66.915 62.100 -0.003 0.000 1.144 232 T CB -0.447 68.385 68.868 -0.060 0.000 0.866 232 T HN 0.068 8.394 8.240 0.143 0.000 0.434 233 F N 2.129 121.948 119.950 -0.219 0.000 2.216 233 F HA -0.364 nan 4.527 nan 0.000 0.300 233 F C 0.881 176.577 175.800 -0.173 0.000 1.085 233 F CA 4.087 61.941 58.000 -0.242 0.000 1.326 233 F CB 0.058 38.926 39.000 -0.220 0.000 1.027 233 F HN -0.112 8.281 8.300 0.154 0.000 0.497 234 R N -4.482 116.064 120.500 0.076 0.000 2.075 234 R HA -0.125 nan 4.340 nan 0.000 0.220 234 R C 1.785 178.094 176.300 0.015 0.000 1.118 234 R CA 2.428 58.566 56.100 0.063 0.000 0.986 234 R CB 0.601 30.956 30.300 0.092 0.000 0.884 234 R HN -0.398 7.921 8.270 0.104 0.014 0.439 235 N N -3.651 115.052 118.700 0.005 0.000 2.197 235 N HA 0.130 nan 4.740 nan 0.000 0.201 235 N C -0.398 175.077 175.510 -0.059 0.000 1.148 235 N CA 0.358 53.410 53.050 0.004 0.000 0.883 235 N CB 2.315 40.841 38.487 0.064 0.000 1.012 235 N HN 0.002 8.290 8.380 0.023 0.106 0.507 236 G N 0.080 108.758 108.800 -0.203 0.000 3.122 236 G HA2 0.311 nan 3.960 nan 0.000 0.180 236 G HA3 0.311 nan 3.960 nan 0.000 0.180 236 G C -2.191 172.150 174.900 -0.932 0.000 1.279 236 G CA -1.196 43.537 45.100 -0.612 0.000 0.987 236 G HN -0.431 7.643 8.290 -0.185 0.105 0.589 237 S N -0.621 114.058 115.700 -1.702 0.000 2.473 237 S HA 0.300 nan 4.470 nan 0.000 0.307 237 S C 1.053 175.072 174.600 -0.970 0.000 1.094 237 S CA -1.053 56.417 58.200 -1.217 0.000 1.070 237 S CB 1.761 64.222 63.200 -1.231 0.000 1.019 237 S HN -0.211 6.214 8.310 -3.142 0.000 0.480 238 L N 5.065 125.870 121.223 -0.696 0.000 2.191 238 L HA -0.322 nan 4.340 nan 0.000 0.212 238 L C 1.420 178.138 176.870 -0.253 0.000 1.103 238 L CA 3.037 57.517 54.840 -0.599 0.000 0.769 238 L CB -0.766 40.916 42.059 -0.628 0.000 0.908 238 L HN 0.792 8.951 8.230 -0.646 -0.316 0.438 239 A N 0.179 122.877 122.820 -0.203 0.000 2.024 239 A HA -0.211 nan 4.320 nan 0.000 0.220 239 A C 1.879 179.589 177.584 0.211 0.000 1.164 239 A CA 2.871 54.960 52.037 0.086 0.000 0.643 239 A CB -1.101 17.897 19.000 -0.004 0.000 0.806 239 A HN 0.135 8.045 8.150 -0.355 0.027 0.451 240 W N -3.589 117.704 121.300 -0.012 0.000 2.465 240 W HA -0.133 nan 4.660 nan 0.000 0.268 240 W C 1.014 177.594 176.519 0.101 0.000 1.242 240 W CA 0.493 57.869 57.345 0.051 0.000 1.248 240 W CB -1.005 28.531 29.460 0.126 0.000 1.118 240 W HN -0.415 7.510 8.180 -0.175 0.150 0.587 241 L N -3.196 118.071 121.223 0.074 0.000 2.622 241 L HA -0.228 nan 4.340 nan 0.000 0.233 241 L C 1.851 178.485 176.870 -0.393 0.000 1.156 241 L CA 1.055 55.727 54.840 -0.279 0.000 0.866 241 L CB -1.329 40.307 42.059 -0.706 0.000 0.980 241 L HN -0.396 7.679 8.230 0.031 0.173 0.448 242 S N 1.672 116.976 115.700 -0.659 0.000 2.419 242 S HA -0.280 nan 4.470 nan 0.000 0.235 242 S C 0.777 175.042 174.600 -0.559 0.000 1.019 242 S CA 2.650 60.009 58.200 -1.400 0.000 0.982 242 S CB -0.056 62.292 63.200 -1.419 0.000 0.789 242 S HN -0.185 7.841 8.310 -0.316 0.095 0.490 243 N N -1.008 117.593 118.700 -0.165 0.000 2.365 243 N HA 0.112 nan 4.740 nan 0.000 0.257 243 N C -1.736 173.823 175.510 0.081 0.000 1.287 243 N CA -1.589 51.475 53.050 0.023 0.000 0.882 243 N CB -0.112 38.398 38.487 0.039 0.000 1.250 243 N HN -0.666 7.645 8.380 -0.062 0.032 0.507 244 F N 2.220 121.952 119.950 -0.364 0.000 2.629 244 F HA -0.237 nan 4.527 nan 0.000 0.369 244 F C 0.131 175.616 175.800 -0.525 0.000 1.125 244 F CA 2.007 59.465 58.000 -0.903 0.000 1.330 244 F CB 0.609 39.002 39.000 -1.011 0.000 1.071 244 F HN -0.583 7.578 8.300 -0.069 0.097 0.595 245 G N 5.092 113.089 108.800 -1.338 0.000 2.395 245 G HA2 -0.274 nan 3.960 nan 0.000 0.201 245 G HA3 -0.274 nan 3.960 nan 0.000 0.201 245 G C 0.254 174.726 174.900 -0.713 0.000 1.206 245 G CA 0.208 44.663 45.100 -1.074 0.000 1.210 245 G HN 0.038 6.943 8.290 -2.307 0.000 0.557 246 E N 4.892 124.996 120.200 -0.161 0.000 2.160 246 E HA -0.308 nan 4.350 nan 0.000 0.195 246 E C 2.556 179.114 176.600 -0.070 0.000 0.991 246 E CA 2.962 59.353 56.400 -0.015 0.000 0.810 246 E CB -0.224 29.531 29.700 0.092 0.000 0.742 246 E HN 0.501 8.867 8.360 0.011 0.000 0.466 247 G N -1.098 107.661 108.800 -0.069 0.000 2.448 247 G HA2 -0.228 nan 3.960 nan 0.000 0.219 247 G HA3 -0.228 nan 3.960 nan 0.000 0.219 247 G C 0.170 175.072 174.900 0.003 0.000 1.127 247 G CA 1.196 46.294 45.100 -0.003 0.000 0.766 247 G HN 0.266 8.492 8.290 -0.075 0.019 0.552 248 W N 0.443 121.432 121.300 -0.519 0.000 3.353 248 W HA 0.184 nan 4.660 nan 0.000 0.304 248 W C -0.260 176.038 176.519 -0.368 0.000 1.273 248 W CA -1.354 55.663 57.345 -0.547 0.000 1.773 248 W CB -0.379 28.510 29.460 -0.951 0.000 1.095 248 W HN -0.567 7.303 8.180 -0.263 0.152 0.676 249 G N -2.628 106.139 108.800 -0.054 0.000 2.131 249 G HA2 -0.404 nan 3.960 nan 0.000 0.223 249 G HA3 -0.404 nan 3.960 nan 0.000 0.223 249 G C -0.630 174.437 174.900 0.278 0.000 0.990 249 G CA -0.135 45.022 45.100 0.095 0.000 0.671 249 G HN -0.309 7.720 8.290 -0.094 0.204 0.521 250 F N -0.363 119.597 119.950 0.016 0.000 2.375 250 F HA 0.286 nan 4.527 nan 0.000 0.313 250 F C 0.583 176.450 175.800 0.112 0.000 1.176 250 F CA -1.653 56.360 58.000 0.022 0.000 1.142 250 F CB 0.716 39.627 39.000 -0.148 0.000 1.275 250 F HN -0.843 7.396 8.300 -0.102 0.000 0.544 251 M N 0.938 120.761 119.600 0.371 0.000 2.157 251 M HA 0.205 nan 4.480 nan 0.000 0.304 251 M C -1.630 174.849 176.300 0.297 0.000 1.171 251 M CA -0.985 54.473 55.300 0.263 0.000 1.157 251 M CB -0.860 31.857 32.600 0.195 0.000 1.403 251 M HN 0.257 9.093 8.290 0.358 -0.331 0.473 252 P HA -0.034 nan 4.420 nan 0.000 0.264 252 P C 0.192 177.497 177.300 0.008 0.000 1.183 252 P CA 0.064 63.230 63.100 0.111 0.000 0.763 252 P CB 0.351 32.077 31.700 0.043 0.000 0.807 253 S N 5.530 121.190 115.700 -0.067 0.000 2.374 253 S HA -0.364 nan 4.470 nan 0.000 0.227 253 S C 1.486 175.844 174.600 -0.404 0.000 1.037 253 S CA 3.729 61.624 58.200 -0.507 0.000 1.024 253 S CB -0.329 62.690 63.200 -0.302 0.000 0.861 253 S HN 0.164 8.793 8.310 0.069 -0.277 0.456 254 S N 0.119 115.673 115.700 -0.244 0.000 2.547 254 S HA -0.062 nan 4.470 nan 0.000 0.235 254 S C 1.102 175.607 174.600 -0.159 0.000 0.980 254 S CA 2.279 60.344 58.200 -0.225 0.000 0.941 254 S CB -0.493 62.596 63.200 -0.185 0.000 0.763 254 S HN 0.256 8.451 8.310 -0.176 0.010 0.532 255 S N 0.368 115.998 115.700 -0.116 0.000 2.539 255 S HA 0.155 nan 4.470 nan 0.000 0.221 255 S C -1.825 172.757 174.600 -0.029 0.000 0.987 255 S CA 0.385 58.557 58.200 -0.046 0.000 0.929 255 S CB 1.232 64.435 63.200 0.006 0.000 0.832 255 S HN -0.234 7.819 8.310 -0.124 0.182 0.492 256 A N 0.832 123.588 122.820 -0.108 0.000 2.305 256 A HA 0.480 nan 4.320 nan 0.000 0.322 256 A C -2.000 175.532 177.584 -0.086 0.000 1.187 256 A CA -1.034 50.950 52.037 -0.089 0.000 0.825 256 A CB 1.841 20.765 19.000 -0.127 0.000 1.164 256 A HN -0.579 7.288 8.150 -0.202 0.161 0.498 257 V N 4.132 124.025 119.914 -0.036 0.000 2.370 257 V HA 0.585 nan 4.120 nan 0.000 0.283 257 V C -1.124 174.855 176.094 -0.192 0.000 1.023 257 V CA -0.498 61.766 62.300 -0.060 0.000 0.857 257 V CB 1.022 32.812 31.823 -0.054 0.000 0.985 257 V HN 0.114 8.312 8.190 0.014 0.000 0.443 258 V N 0.872 120.595 119.914 -0.317 0.000 3.113 258 V HA 0.988 nan 4.120 nan 0.000 0.316 258 V C -2.370 173.441 176.094 -0.472 0.000 1.125 258 V CA -3.559 58.334 62.300 -0.678 0.000 1.026 258 V CB 3.170 34.347 31.823 -1.076 0.000 1.080 258 V HN 0.071 8.120 8.190 -0.235 0.000 0.444 259 F N -3.904 115.863 119.950 -0.306 0.000 2.769 259 F HA 0.454 nan 4.527 nan 0.000 0.313 259 F C -1.473 174.336 175.800 0.014 0.000 1.146 259 F CA -0.612 57.286 58.000 -0.171 0.000 0.934 259 F CB 1.292 40.160 39.000 -0.220 0.000 1.283 259 F HN -0.142 7.568 8.300 -0.983 0.000 0.443 260 V N -1.058 119.011 119.914 0.260 0.000 2.488 260 V HA -0.076 nan 4.120 nan 0.000 0.246 260 V C -1.607 174.682 176.094 0.324 0.000 1.046 260 V CA 2.355 64.785 62.300 0.217 0.000 1.053 260 V CB 0.058 31.898 31.823 0.027 0.000 0.679 260 V HN 0.657 8.966 8.190 0.198 0.000 0.458 261 D N -7.847 112.783 120.400 0.384 0.000 2.622 261 D HA 0.100 nan 4.640 nan 0.000 0.255 261 D C -2.161 174.141 176.300 0.004 0.000 1.246 261 D CA -1.307 52.859 54.000 0.277 0.000 0.795 261 D CB 2.921 43.843 40.800 0.203 0.000 1.369 261 D HN -0.770 7.811 8.370 0.351 0.000 0.425 262 N N -1.387 117.179 118.700 -0.223 0.000 2.761 262 N HA 0.266 nan 4.740 nan 0.000 0.283 262 N C 0.433 175.748 175.510 -0.325 0.000 1.377 262 N CA -1.725 51.061 53.050 -0.439 0.000 0.791 262 N CB 2.501 40.425 38.487 -0.937 0.000 1.540 262 N HN 0.454 9.160 8.380 -0.096 -0.384 0.539 263 H N -2.362 116.437 119.070 -0.451 0.000 2.457 263 H HA -0.294 nan 4.556 nan 0.000 0.297 263 H C 0.979 175.928 175.328 -0.631 0.000 1.092 263 H CA 4.082 59.647 56.048 -0.805 0.000 1.309 263 H CB -0.378 28.538 29.762 -1.409 0.000 1.382 263 H HN 0.563 8.816 8.280 -0.045 0.000 0.535 264 D N 0.209 120.042 120.400 -0.945 0.000 2.106 264 D HA -0.148 nan 4.640 nan 0.000 0.203 264 D C 2.284 178.497 176.300 -0.145 0.000 0.977 264 D CA 3.275 56.981 54.000 -0.490 0.000 0.844 264 D CB 0.127 40.713 40.800 -0.358 0.000 1.002 264 D HN -0.573 7.305 8.370 -1.006 -0.111 0.461 265 N N -0.185 118.475 118.700 -0.067 0.000 2.459 265 N HA -0.245 nan 4.740 nan 0.000 0.181 265 N C 2.341 177.850 175.510 -0.002 0.000 1.046 265 N CA 2.232 55.308 53.050 0.043 0.000 0.904 265 N CB -0.497 38.110 38.487 0.200 0.000 0.964 265 N HN 0.108 8.810 8.380 -0.093 -0.378 0.444 266 Q N -1.114 118.643 119.800 -0.072 0.000 2.472 266 Q HA -0.003 nan 4.340 nan 0.000 0.208 266 Q C 1.151 177.126 176.000 -0.042 0.000 0.958 266 Q CA 1.801 57.583 55.803 -0.036 0.000 0.932 266 Q CB -0.302 28.422 28.738 -0.023 0.000 1.007 266 Q HN -0.194 7.946 8.270 -0.151 0.040 0.508 267 R N -1.854 118.568 120.500 -0.129 0.000 2.509 267 R HA 0.191 nan 4.340 nan 0.000 0.300 267 R C -0.245 175.964 176.300 -0.152 0.000 0.985 267 R CA -0.525 55.484 56.100 -0.151 0.000 1.092 267 R CB 0.136 30.332 30.300 -0.172 0.000 1.237 267 R HN -0.344 7.659 8.270 -0.132 0.188 0.546 268 G N -0.304 108.431 108.800 -0.109 0.000 2.143 268 G HA2 -0.411 nan 3.960 nan 0.000 0.249 268 G HA3 -0.411 nan 3.960 nan 0.000 0.249 268 G C -0.371 174.398 174.900 -0.218 0.000 0.981 268 G CA 0.270 45.282 45.100 -0.146 0.000 0.665 268 G HN -0.389 7.694 8.290 -0.054 0.175 0.528 269 H N 2.103 121.169 119.070 -0.007 0.000 2.685 269 H HA 0.090 nan 4.556 nan 0.000 0.286 269 H C -0.072 175.236 175.328 -0.033 0.000 1.102 269 H CA -0.327 55.709 56.048 -0.020 0.000 1.254 269 H CB -0.565 29.190 29.762 -0.011 0.000 1.397 269 H HN -0.466 7.761 8.280 -0.014 0.045 0.473 270 G N 5.075 113.902 108.800 0.045 0.000 2.141 270 G HA2 -0.285 nan 3.960 nan 0.000 0.231 270 G HA3 -0.285 nan 3.960 nan 0.000 0.231 270 G C -1.967 172.986 174.900 0.088 0.000 0.984 270 G CA 0.119 45.213 45.100 -0.009 0.000 0.660 270 G HN -0.025 8.280 8.290 0.024 0.000 0.525 271 G N -3.424 105.425 108.800 0.082 0.000 2.733 271 G HA2 0.119 nan 3.960 nan 0.000 0.297 271 G HA3 0.119 nan 3.960 nan 0.000 0.297 271 G C -1.975 172.960 174.900 0.058 0.000 1.452 271 G CA -0.757 44.407 45.100 0.107 0.000 0.940 271 G HN -0.811 7.456 8.290 0.047 0.052 0.547 272 A N 1.666 124.522 122.820 0.060 0.000 2.388 272 A HA 0.332 nan 4.320 nan 0.000 0.280 272 A C 1.080 178.692 177.584 0.046 0.000 1.377 272 A CA -1.245 50.817 52.037 0.042 0.000 0.863 272 A CB 1.274 20.300 19.000 0.045 0.000 1.416 272 A HN 0.560 8.755 8.150 0.076 0.000 0.517 273 G N -2.716 106.107 108.800 0.039 0.000 2.498 273 G HA2 -0.235 nan 3.960 nan 0.000 0.219 273 G HA3 -0.235 nan 3.960 nan 0.000 0.219 273 G C -0.239 174.692 174.900 0.052 0.000 1.119 273 G CA 1.388 46.511 45.100 0.039 0.000 0.766 273 G HN 0.489 8.801 8.290 0.036 0.000 0.552 274 N N -2.563 116.177 118.700 0.066 0.000 2.512 274 N HA -0.111 nan 4.740 nan 0.000 0.183 274 N C 0.434 175.998 175.510 0.090 0.000 1.073 274 N CA 0.039 53.137 53.050 0.080 0.000 0.911 274 N CB -0.857 37.685 38.487 0.091 0.000 0.964 274 N HN -0.257 8.122 8.380 0.065 0.039 0.447 275 V N 2.737 122.704 119.914 0.090 0.000 2.529 275 V HA -0.100 nan 4.120 nan 0.000 0.292 275 V C -0.349 175.802 176.094 0.094 0.000 1.028 275 V CA 1.417 63.780 62.300 0.106 0.000 1.074 275 V CB -0.293 31.598 31.823 0.114 0.000 0.958 275 V HN -0.610 7.577 8.190 0.081 0.051 0.481 276 I N 8.355 128.999 120.570 0.123 0.000 2.395 276 I HA 0.329 nan 4.170 nan 0.000 0.289 276 I C -0.269 175.977 176.117 0.215 0.000 1.023 276 I CA 0.318 61.709 61.300 0.151 0.000 1.350 276 I CB 0.514 38.603 38.000 0.148 0.000 1.409 276 I HN 0.113 8.401 8.210 0.130 0.000 0.507 277 T N 2.988 117.550 114.554 0.013 0.000 2.742 277 T HA 0.603 nan 4.350 nan 0.000 0.282 277 T C 1.159 175.377 174.700 -0.803 0.000 1.025 277 T CA -1.914 59.971 62.100 -0.357 0.000 1.020 277 T CB 2.904 71.555 68.868 -0.361 0.000 1.317 277 T HN 0.221 8.770 8.240 -0.020 -0.321 0.538 278 F N -1.084 118.301 119.950 -0.943 0.000 2.192 278 F HA -0.230 nan 4.527 nan 0.000 0.301 278 F C 1.521 177.278 175.800 -0.071 0.000 1.079 278 F CA 2.745 60.408 58.000 -0.561 0.000 1.303 278 F CB -0.703 38.091 39.000 -0.343 0.000 1.024 278 F HN 0.609 8.522 8.300 -0.645 0.000 0.494 279 E N -0.916 118.816 120.200 -0.781 0.000 2.267 279 E HA -0.303 nan 4.350 nan 0.000 0.197 279 E C 0.912 177.440 176.600 -0.121 0.000 0.998 279 E CA 1.967 58.109 56.400 -0.430 0.000 0.830 279 E CB -0.581 28.774 29.700 -0.576 0.000 0.751 279 E HN -0.566 6.911 8.360 -1.428 0.026 0.491 280 D N -2.095 118.267 120.400 -0.063 0.000 2.336 280 D HA 0.126 nan 4.640 nan 0.000 0.229 280 D C 0.441 176.846 176.300 0.175 0.000 1.061 280 D CA 0.710 54.755 54.000 0.074 0.000 0.875 280 D CB 0.739 41.605 40.800 0.110 0.000 0.904 280 D HN -0.431 7.694 8.370 -0.152 0.154 0.525 281 G N 0.246 109.176 108.800 0.216 0.000 2.690 281 G HA2 -0.618 nan 3.960 nan 0.000 0.334 281 G HA3 -0.618 nan 3.960 nan 0.000 0.334 281 G C 0.473 175.532 174.900 0.265 0.000 1.250 281 G CA 1.759 46.994 45.100 0.226 0.000 0.994 281 G HN -0.005 8.221 8.290 0.203 0.186 0.549 282 R N 2.141 122.737 120.500 0.160 0.000 2.127 282 R HA -0.173 nan 4.340 nan 0.000 0.238 282 R C 1.820 178.252 176.300 0.219 0.000 1.134 282 R CA 1.485 57.669 56.100 0.139 0.000 0.975 282 R CB -0.799 29.592 30.300 0.152 0.000 0.865 282 R HN 0.093 8.431 8.270 0.114 0.000 0.447 283 L N -1.214 120.205 121.223 0.326 0.000 2.083 283 L HA -0.302 nan 4.340 nan 0.000 0.209 283 L C 1.067 178.004 176.870 0.111 0.000 1.083 283 L CA 3.210 58.185 54.840 0.225 0.000 0.752 283 L CB -0.373 41.868 42.059 0.304 0.000 0.899 283 L HN -0.372 8.056 8.230 0.359 0.017 0.433 284 Y N -0.509 119.840 120.300 0.082 0.000 2.242 284 Y HA -0.488 nan 4.550 nan 0.000 0.291 284 Y C 1.516 177.459 175.900 0.072 0.000 1.137 284 Y CA 3.591 61.733 58.100 0.071 0.000 1.181 284 Y CB -0.420 38.155 38.460 0.191 0.000 0.989 284 Y HN -0.535 7.866 8.280 0.387 0.110 0.527 285 D N 0.001 120.521 120.400 0.200 0.000 2.092 285 D HA -0.360 nan 4.640 nan 0.000 0.193 285 D C 2.578 178.855 176.300 -0.039 0.000 0.994 285 D CA 3.896 57.944 54.000 0.081 0.000 0.828 285 D CB -0.315 40.391 40.800 -0.157 0.000 0.963 285 D HN -0.523 7.931 8.370 0.291 0.092 0.450 286 L N -1.536 119.635 121.223 -0.087 0.000 2.083 286 L HA -0.334 nan 4.340 nan 0.000 0.209 286 L C 2.149 178.859 176.870 -0.267 0.000 1.083 286 L CA 2.909 57.708 54.840 -0.069 0.000 0.752 286 L CB -0.513 41.550 42.059 0.006 0.000 0.899 286 L HN -0.280 7.911 8.230 -0.065 0.000 0.433 287 A N -1.139 121.297 122.820 -0.640 0.000 1.902 287 A HA -0.401 nan 4.320 nan 0.000 0.217 287 A C 1.982 179.369 177.584 -0.328 0.000 1.181 287 A CA 3.256 54.741 52.037 -0.920 0.000 0.623 287 A CB -0.938 17.587 19.000 -0.792 0.000 0.818 287 A HN 0.086 7.939 8.150 -0.495 0.000 0.443 288 N N -1.505 117.026 118.700 -0.282 0.000 2.188 288 N HA -0.257 nan 4.740 nan 0.000 0.184 288 N C 2.170 177.684 175.510 0.008 0.000 1.018 288 N CA 3.794 56.755 53.050 -0.148 0.000 0.858 288 N CB 0.252 38.611 38.487 -0.213 0.000 0.989 288 N HN -0.426 7.737 8.380 -0.361 0.000 0.426 289 V N 0.513 120.450 119.914 0.038 0.000 2.343 289 V HA -0.404 nan 4.120 nan 0.000 0.247 289 V C 1.689 177.842 176.094 0.097 0.000 1.051 289 V CA 4.321 66.663 62.300 0.070 0.000 1.036 289 V CB -0.844 31.038 31.823 0.099 0.000 0.654 289 V HN -0.175 8.018 8.190 0.005 0.000 0.451 290 F N 0.296 120.291 119.950 0.074 0.000 2.075 290 F HA -0.475 nan 4.527 nan 0.000 0.297 290 F C 1.309 177.288 175.800 0.299 0.000 1.113 290 F CA 3.676 61.800 58.000 0.207 0.000 1.218 290 F CB 0.492 39.638 39.000 0.243 0.000 0.984 290 F HN -0.446 8.002 8.300 0.247 0.000 0.472 291 M N -0.118 119.634 119.600 0.254 0.000 2.080 291 M HA -0.517 nan 4.480 nan 0.000 0.260 291 M C 1.773 178.204 176.300 0.218 0.000 1.068 291 M CA 4.106 59.599 55.300 0.322 0.000 1.109 291 M CB 0.122 32.931 32.600 0.349 0.000 1.342 291 M HN -0.478 7.996 8.290 0.306 0.000 0.405 292 L N -4.249 117.065 121.223 0.152 0.000 2.217 292 L HA -0.259 nan 4.340 nan 0.000 0.211 292 L C 2.506 179.509 176.870 0.221 0.000 1.107 292 L CA 2.333 57.270 54.840 0.161 0.000 0.783 292 L CB -0.534 41.597 42.059 0.119 0.000 0.919 292 L HN -0.101 8.203 8.230 0.123 0.000 0.442 293 A N -0.623 122.301 122.820 0.172 0.000 1.984 293 A HA -0.078 nan 4.320 nan 0.000 0.214 293 A C -0.554 177.286 177.584 0.426 0.000 1.173 293 A CA 1.620 53.820 52.037 0.272 0.000 0.673 293 A CB 0.291 19.198 19.000 -0.156 0.000 0.830 293 A HN -0.496 7.583 8.150 0.089 0.125 0.453 294 Y N 0.763 121.133 120.300 0.116 0.000 2.402 294 Y HA 0.100 nan 4.550 nan 0.000 0.333 294 Y C -1.878 174.159 175.900 0.228 0.000 1.076 294 Y CA -2.066 56.057 58.100 0.039 0.000 1.299 294 Y CB 1.352 39.580 38.460 -0.388 0.000 1.197 294 Y HN -0.254 8.130 8.280 0.174 0.000 0.517 295 P HA -0.071 nan 4.420 nan 0.000 0.237 295 P C -2.344 175.114 177.300 0.262 0.000 1.723 295 P CA 0.166 63.406 63.100 0.233 0.000 0.882 295 P CB -1.951 29.871 31.700 0.204 0.000 1.810 296 Y N 0.287 120.740 120.300 0.255 0.000 2.391 296 Y HA -0.071 nan 4.550 nan 0.000 0.341 296 Y C -0.799 175.198 175.900 0.163 0.000 0.965 296 Y CA -0.491 57.760 58.100 0.251 0.000 1.067 296 Y CB 2.367 41.114 38.460 0.478 0.000 1.199 296 Y HN -0.457 8.060 8.280 0.531 0.081 0.450 297 G N 7.960 116.368 108.800 -0.653 0.000 2.804 297 G HA2 -0.449 nan 3.960 nan 0.000 0.230 297 G HA3 -0.449 nan 3.960 nan 0.000 0.230 297 G C -2.659 172.179 174.900 -0.103 0.000 1.386 297 G CA 0.047 44.861 45.100 -0.477 0.000 0.875 297 G HN 0.397 8.167 8.290 -0.867 0.000 0.557 298 Y N 0.516 120.700 120.300 -0.194 0.000 2.491 298 Y HA 0.449 nan 4.550 nan 0.000 0.334 298 Y C -2.098 173.803 175.900 0.003 0.000 0.969 298 Y CA -4.777 53.291 58.100 -0.052 0.000 1.241 298 Y CB 1.043 39.477 38.460 -0.043 0.000 1.105 298 Y HN 0.022 8.292 8.280 -0.017 0.000 0.503 299 P HA 0.453 nan 4.420 nan 0.000 0.281 299 P C -2.117 174.965 177.300 -0.363 0.000 1.249 299 P CA -0.741 62.286 63.100 -0.122 0.000 0.810 299 P CB 1.295 32.985 31.700 -0.017 0.000 1.008 300 K N -1.856 118.225 120.400 -0.532 0.000 2.426 300 K HA 0.532 nan 4.320 nan 0.000 0.254 300 K C -0.622 175.758 176.600 -0.366 0.000 0.936 300 K CA -1.528 54.222 56.287 -0.894 0.000 0.801 300 K CB 2.375 33.769 32.500 -1.843 0.000 1.139 300 K HN -0.225 7.827 8.250 -0.330 0.000 0.424 301 V N 5.673 125.464 119.914 -0.206 0.000 2.649 301 V HA 0.131 nan 4.120 nan 0.000 0.292 301 V C -0.851 175.201 176.094 -0.069 0.000 1.055 301 V CA 0.436 62.711 62.300 -0.041 0.000 1.023 301 V CB 0.909 32.815 31.823 0.138 0.000 0.992 301 V HN 0.645 8.722 8.190 -0.189 0.000 0.480 302 M N 6.017 125.621 119.600 0.007 0.000 2.249 302 M HA 0.356 nan 4.480 nan 0.000 0.351 302 M C -1.331 174.969 176.300 -0.002 0.000 1.180 302 M CA -0.905 54.400 55.300 0.008 0.000 1.127 302 M CB 1.642 34.290 32.600 0.080 0.000 1.546 302 M HN 0.362 8.687 8.290 0.059 0.000 0.461 303 S N 4.474 120.147 115.700 -0.045 0.000 2.789 303 S HA 0.289 nan 4.470 nan 0.000 0.286 303 S C -1.649 173.020 174.600 0.115 0.000 1.153 303 S CA -1.095 57.112 58.200 0.013 0.000 1.084 303 S CB 0.878 64.004 63.200 -0.123 0.000 1.036 303 S HN 0.104 8.366 8.310 -0.080 0.000 0.484 304 S N 7.787 123.539 115.700 0.087 0.000 2.786 304 S HA 0.684 nan 4.470 nan 0.000 0.307 304 S C -1.768 172.894 174.600 0.103 0.000 1.121 304 S CA -1.913 56.330 58.200 0.072 0.000 0.975 304 S CB 2.434 65.558 63.200 -0.125 0.000 1.220 304 S HN 0.588 9.401 8.310 -0.012 -0.510 0.550 305 Y N -4.025 116.279 120.300 0.008 0.000 2.536 305 Y HA 0.583 nan 4.550 nan 0.000 0.347 305 Y C -1.584 174.165 175.900 -0.252 0.000 1.000 305 Y CA -2.872 55.103 58.100 -0.209 0.000 1.051 305 Y CB 2.271 40.489 38.460 -0.403 0.000 1.259 305 Y HN 0.095 8.161 8.280 -0.357 0.000 0.468 306 D N 2.087 122.369 120.400 -0.195 0.000 2.358 306 D HA -0.114 nan 4.640 nan 0.000 0.258 306 D C -0.654 175.469 176.300 -0.295 0.000 1.223 306 D CA 0.235 54.053 54.000 -0.303 0.000 0.886 306 D CB 0.634 41.221 40.800 -0.356 0.000 1.120 306 D HN 0.035 8.287 8.370 -0.196 0.000 0.482 307 F N -0.476 119.418 119.950 -0.095 0.000 2.693 307 F HA 0.205 nan 4.527 nan 0.000 0.303 307 F C 0.050 175.862 175.800 0.021 0.000 1.097 307 F CA -1.164 56.851 58.000 0.025 0.000 1.330 307 F CB -0.186 38.901 39.000 0.146 0.000 1.067 307 F HN -0.341 7.588 8.300 -0.619 0.000 0.565 308 H N 0.345 119.397 119.070 -0.030 0.000 2.626 308 H HA -0.419 nan 4.556 nan 0.000 0.317 308 H C 0.934 176.301 175.328 0.065 0.000 1.140 308 H CA 0.354 56.400 56.048 -0.004 0.000 1.134 308 H CB -3.311 26.483 29.762 0.054 0.000 1.486 308 H HN 0.219 8.262 8.280 -0.749 -0.211 0.417 309 G N -3.043 105.801 108.800 0.073 0.000 2.220 309 G HA2 -0.573 nan 3.960 nan 0.000 0.269 309 G HA3 -0.573 nan 3.960 nan 0.000 0.269 309 G C -0.776 174.377 174.900 0.421 0.000 0.977 309 G CA 0.203 45.451 45.100 0.247 0.000 0.634 309 G HN 0.403 8.497 8.290 -0.317 0.005 0.539 310 D N 2.294 122.988 120.400 0.489 0.000 2.393 310 D HA 0.140 nan 4.640 nan 0.000 0.232 310 D C 1.091 177.637 176.300 0.410 0.000 1.192 310 D CA -0.845 53.391 54.000 0.393 0.000 0.882 310 D CB 0.334 41.331 40.800 0.329 0.000 1.038 310 D HN -0.395 8.085 8.370 0.502 0.191 0.499 311 T N 1.746 116.479 114.554 0.299 0.000 3.163 311 T HA -0.074 nan 4.350 nan 0.000 0.260 311 T C 1.126 176.124 174.700 0.496 0.000 1.156 311 T CA 1.641 63.858 62.100 0.195 0.000 1.072 311 T CB -0.373 68.593 68.868 0.163 0.000 0.937 311 T HN 0.284 8.696 8.240 0.286 0.000 0.528 312 D N 1.897 122.585 120.400 0.479 0.000 2.388 312 D HA 0.173 nan 4.640 nan 0.000 0.208 312 D C -0.665 175.849 176.300 0.356 0.000 1.035 312 D CA 1.158 55.465 54.000 0.512 0.000 0.875 312 D CB 0.822 41.883 40.800 0.435 0.000 0.984 312 D HN 0.028 8.844 8.370 0.375 -0.222 0.508 313 A N -0.515 122.525 122.820 0.366 0.000 2.561 313 A HA -0.112 nan 4.320 nan 0.000 0.234 313 A C -0.249 177.555 177.584 0.367 0.000 1.055 313 A CA 0.833 53.046 52.037 0.293 0.000 0.756 313 A CB 0.576 19.764 19.000 0.313 0.000 0.986 313 A HN -0.904 7.643 8.150 0.371 -0.175 0.505 314 G N -0.158 108.711 108.800 0.115 0.000 2.535 314 G HA2 0.041 nan 3.960 nan 0.000 0.282 314 G HA3 0.041 nan 3.960 nan 0.000 0.282 314 G C -0.332 174.312 174.900 -0.426 0.000 1.350 314 G CA -1.278 43.814 45.100 -0.014 0.000 1.039 314 G HN 0.152 8.460 8.290 0.031 0.000 0.509 315 G N -2.452 105.853 108.800 -0.825 0.000 2.621 315 G HA2 0.255 nan 3.960 nan 0.000 0.271 315 G HA3 0.255 nan 3.960 nan 0.000 0.271 315 G C -1.851 172.484 174.900 -0.943 0.000 1.236 315 G CA -1.085 43.084 45.100 -1.551 0.000 0.958 315 G HN 0.048 8.033 8.290 -0.509 0.000 0.512 316 P HA -0.005 nan 4.420 nan 0.000 0.268 316 P C -0.832 176.249 177.300 -0.365 0.000 1.208 316 P CA 0.107 62.786 63.100 -0.702 0.000 0.777 316 P CB 0.524 31.586 31.700 -1.063 0.000 0.875 317 N N -0.130 118.441 118.700 -0.216 0.000 2.370 317 N HA -0.028 nan 4.740 nan 0.000 0.198 317 N C -0.859 174.614 175.510 -0.062 0.000 1.156 317 N CA 0.666 53.645 53.050 -0.118 0.000 0.839 317 N CB 0.231 38.663 38.487 -0.093 0.000 0.989 317 N HN 0.261 8.514 8.380 -0.210 0.000 0.468 318 V N 2.143 122.037 119.914 -0.034 0.000 2.735 318 V HA 0.535 nan 4.120 nan 0.000 0.310 318 V C -2.161 174.019 176.094 0.145 0.000 1.061 318 V CA -3.311 59.004 62.300 0.025 0.000 0.913 318 V CB 3.199 35.025 31.823 0.004 0.000 1.005 318 V HN -0.419 7.628 8.190 -0.082 0.094 0.428 319 P HA 0.207 nan 4.420 nan 0.000 0.274 319 P C -0.820 176.353 177.300 -0.213 0.000 1.246 319 P CA -0.461 62.590 63.100 -0.081 0.000 0.795 319 P CB 1.152 32.792 31.700 -0.099 0.000 1.006 320 V N -2.860 116.636 119.914 -0.696 0.000 2.307 320 V HA -0.230 nan 4.120 nan 0.000 0.245 320 V C 1.217 176.921 176.094 -0.649 0.000 1.045 320 V CA 3.391 65.121 62.300 -0.950 0.000 1.024 320 V CB -0.003 30.823 31.823 -1.662 0.000 0.651 320 V HN 0.043 8.087 8.190 -0.875 -0.379 0.449 321 H N -1.704 117.194 119.070 -0.287 0.000 2.818 321 H HA 0.366 nan 4.556 nan 0.000 0.269 321 H C -1.233 174.034 175.328 -0.102 0.000 1.277 321 H CA -1.092 54.868 56.048 -0.147 0.000 1.290 321 H CB -1.421 28.278 29.762 -0.104 0.000 1.479 321 H HN -0.479 7.906 8.280 -0.302 -0.287 0.507 322 N N 4.467 123.153 118.700 -0.024 0.000 2.501 322 N HA 0.014 nan 4.740 nan 0.000 0.245 322 N C -0.656 174.858 175.510 0.006 0.000 0.974 322 N CA -1.679 51.364 53.050 -0.012 0.000 0.941 322 N CB 0.783 39.254 38.487 -0.027 0.000 1.122 322 N HN 0.084 8.424 8.380 -0.066 0.000 0.507 323 N N 7.030 125.739 118.700 0.014 0.000 2.716 323 N HA -0.380 nan 4.740 nan 0.000 0.250 323 N C -0.019 175.504 175.510 0.022 0.000 1.033 323 N CA 1.307 54.366 53.050 0.015 0.000 0.727 323 N CB -1.391 37.102 38.487 0.009 0.000 0.950 323 N HN 0.885 9.274 8.380 0.014 0.000 0.541 324 G N -4.686 104.136 108.800 0.035 0.000 2.234 324 G HA2 -0.398 nan 3.960 nan 0.000 0.235 324 G HA3 -0.398 nan 3.960 nan 0.000 0.235 324 G C -1.159 173.768 174.900 0.046 0.000 0.997 324 G CA -0.028 45.098 45.100 0.043 0.000 0.623 324 G HN 0.303 8.608 8.290 0.044 0.012 0.514 325 N N 0.709 119.426 118.700 0.029 0.000 2.370 325 N HA 0.119 nan 4.740 nan 0.000 0.303 325 N C -1.721 173.776 175.510 -0.022 0.000 1.103 325 N CA -0.938 52.122 53.050 0.017 0.000 0.848 325 N CB 2.173 40.669 38.487 0.014 0.000 1.235 325 N HN -0.072 8.149 8.380 0.021 0.172 0.496 326 L N 0.474 121.674 121.223 -0.040 0.000 2.278 326 L HA 0.082 nan 4.340 nan 0.000 0.287 326 L C 0.341 177.121 176.870 -0.150 0.000 1.072 326 L CA -0.214 54.537 54.840 -0.148 0.000 0.819 326 L CB 0.577 42.562 42.059 -0.123 0.000 1.176 326 L HN 0.450 8.681 8.230 0.001 0.000 0.435 327 E N 7.492 127.582 120.200 -0.184 0.000 2.594 327 E HA 0.043 nan 4.350 nan 0.000 0.300 327 E C -1.417 175.129 176.600 -0.089 0.000 1.568 327 E CA -0.886 55.469 56.400 -0.075 0.000 1.811 327 E CB -2.291 27.427 29.700 0.031 0.000 1.458 327 E HN 0.488 8.584 8.360 -0.259 0.108 0.470 328 c N -0.333 118.104 118.600 -0.272 0.000 2.486 328 c HA 0.414 nan 4.570 nan 0.000 0.348 328 c C -0.424 173.416 174.090 -0.416 0.000 1.203 328 c CA 0.144 56.147 56.329 -0.543 0.000 1.911 328 c CB 1.875 43.597 42.510 -1.313 0.000 2.340 328 c HN -0.228 7.754 8.230 -0.266 0.088 0.511 329 F N -2.793 117.246 119.950 0.148 0.000 2.666 329 F HA -0.471 nan 4.527 nan 0.000 0.458 329 F C -0.488 175.356 175.800 0.073 0.000 0.561 329 F CA 1.628 59.705 58.000 0.128 0.000 1.129 329 F CB -1.985 37.044 39.000 0.049 0.000 1.751 329 F HN 0.078 8.235 8.300 -0.238 0.000 0.275 330 A N -1.233 121.689 122.820 0.170 0.000 3.711 330 A HA 0.217 nan 4.320 nan 0.000 0.185 330 A C 0.176 177.806 177.584 0.076 0.000 1.697 330 A CA 0.169 52.273 52.037 0.113 0.000 1.787 330 A CB 1.243 20.293 19.000 0.083 0.000 1.545 330 A HN -0.111 8.018 8.150 0.108 0.086 0.553 331 S N -1.051 114.685 115.700 0.061 0.000 2.577 331 S HA 0.044 nan 4.470 nan 0.000 0.219 331 S C -0.136 174.469 174.600 0.009 0.000 0.962 331 S CA 0.914 59.166 58.200 0.086 0.000 0.921 331 S CB 0.204 63.502 63.200 0.164 0.000 0.789 331 S HN 0.260 8.603 8.310 0.055 0.000 0.497 332 N N 1.178 119.829 118.700 -0.081 0.000 1.968 332 N HA 0.357 nan 4.740 nan 0.000 0.151 332 N C -0.784 174.529 175.510 -0.329 0.000 1.344 332 N CA 0.124 53.006 53.050 -0.280 0.000 1.057 332 N CB 0.651 38.968 38.487 -0.285 0.000 1.232 332 N HN -0.501 7.793 8.380 -0.038 0.063 0.355 333 W N 0.342 121.572 121.300 -0.116 0.000 2.253 333 W HA -0.040 nan 4.660 nan 0.000 0.322 333 W C 0.690 177.151 176.519 -0.097 0.000 1.342 333 W CA 0.250 57.537 57.345 -0.098 0.000 1.218 333 W CB -0.005 29.317 29.460 -0.230 0.000 1.205 333 W HN -0.381 7.689 8.180 -0.184 0.000 0.551 334 K N 1.618 122.086 120.400 0.113 0.000 2.186 334 K HA -0.055 nan 4.320 nan 0.000 0.202 334 K C 0.521 177.259 176.600 0.230 0.000 1.052 334 K CA -0.020 56.319 56.287 0.087 0.000 0.965 334 K CB 0.313 32.658 32.500 -0.257 0.000 0.746 334 K HN 0.746 8.965 8.250 0.130 0.109 0.457 335 c N -2.357 116.352 118.600 0.182 0.000 4.056 335 c HA -0.304 nan 4.570 nan 0.000 0.302 335 c C 1.228 175.277 174.090 -0.069 0.000 1.356 335 c CA -0.386 55.999 56.329 0.094 0.000 2.074 335 c CB -3.254 39.148 42.510 -0.179 0.000 1.328 335 c HN -0.048 8.352 8.230 0.283 0.000 0.684 336 E N 1.270 121.289 120.200 -0.301 0.000 2.209 336 E HA -0.358 nan 4.350 nan 0.000 0.196 336 E C 1.485 177.916 176.600 -0.283 0.000 0.993 336 E CA 3.286 59.146 56.400 -0.899 0.000 0.819 336 E CB -0.362 28.917 29.700 -0.701 0.000 0.745 336 E HN 0.629 8.905 8.360 -0.140 0.000 0.477 337 H N -3.511 115.505 119.070 -0.091 0.000 2.545 337 H HA -0.103 nan 4.556 nan 0.000 0.282 337 H C 1.188 176.664 175.328 0.247 0.000 1.020 337 H CA 2.102 58.184 56.048 0.058 0.000 1.243 337 H CB -0.549 29.084 29.762 -0.215 0.000 1.377 337 H HN -0.089 8.223 8.280 0.116 0.038 0.581 338 R N -2.287 118.074 120.500 -0.231 0.000 2.308 338 R HA -0.025 nan 4.340 nan 0.000 0.202 338 R C -0.369 176.186 176.300 0.426 0.000 0.898 338 R CA -0.553 55.539 56.100 -0.014 0.000 1.046 338 R CB 0.401 30.581 30.300 -0.199 0.000 1.026 338 R HN -0.263 7.622 8.270 -0.341 0.181 0.512 339 W N 2.957 124.381 121.300 0.206 0.000 2.295 339 W HA -0.025 nan 4.660 nan 0.000 0.335 339 W C 0.973 177.613 176.519 0.202 0.000 1.351 339 W CA -1.498 55.956 57.345 0.182 0.000 1.273 339 W CB -0.701 28.900 29.460 0.234 0.000 1.214 339 W HN -0.501 7.868 8.180 0.530 0.129 0.563 340 S N 5.678 121.578 115.700 0.334 0.000 2.374 340 S HA -0.440 nan 4.470 nan 0.000 0.227 340 S C 1.390 176.120 174.600 0.216 0.000 1.037 340 S CA 3.393 61.729 58.200 0.227 0.000 1.024 340 S CB -0.309 62.943 63.200 0.087 0.000 0.861 340 S HN 0.411 8.852 8.310 0.219 0.000 0.456 341 Y N 0.876 121.294 120.300 0.196 0.000 2.242 341 Y HA -0.271 nan 4.550 nan 0.000 0.291 341 Y C 2.232 178.230 175.900 0.164 0.000 1.137 341 Y CA 3.535 61.730 58.100 0.158 0.000 1.181 341 Y CB -0.307 38.247 38.460 0.157 0.000 0.989 341 Y HN -0.094 8.580 8.280 0.657 0.000 0.527 342 I N -0.941 119.863 120.570 0.390 0.000 2.233 342 I HA -0.578 nan 4.170 nan 0.000 0.243 342 I C 1.488 177.761 176.117 0.261 0.000 1.093 342 I CA 3.252 64.720 61.300 0.280 0.000 1.380 342 I CB -0.362 37.799 38.000 0.269 0.000 1.067 342 I HN -0.771 7.740 8.210 0.502 0.000 0.413 343 A N -1.201 121.813 122.820 0.323 0.000 1.930 343 A HA -0.221 nan 4.320 nan 0.000 0.217 343 A C 2.207 179.893 177.584 0.170 0.000 1.175 343 A CA 3.230 55.451 52.037 0.306 0.000 0.627 343 A CB -0.899 18.357 19.000 0.427 0.000 0.815 343 A HN 0.465 8.835 8.150 0.366 0.000 0.443 344 G N -2.456 106.435 108.800 0.152 0.000 2.422 344 G HA2 -0.318 nan 3.960 nan 0.000 0.218 344 G HA3 -0.318 nan 3.960 nan 0.000 0.218 344 G C 1.139 176.111 174.900 0.120 0.000 1.140 344 G CA 1.631 46.794 45.100 0.104 0.000 0.775 344 G HN 0.238 8.626 8.290 0.177 0.008 0.545 345 G N 1.205 110.073 108.800 0.113 0.000 2.402 345 G HA2 -0.250 nan 3.960 nan 0.000 0.216 345 G HA3 -0.250 nan 3.960 nan 0.000 0.216 345 G C 1.041 176.013 174.900 0.120 0.000 1.162 345 G CA 1.677 46.843 45.100 0.110 0.000 0.777 345 G HN -0.429 7.826 8.290 0.132 0.114 0.539 346 V N 2.619 122.556 119.914 0.039 0.000 2.343 346 V HA -0.488 nan 4.120 nan 0.000 0.247 346 V C 1.500 177.555 176.094 -0.065 0.000 1.051 346 V CA 3.936 66.185 62.300 -0.086 0.000 1.036 346 V CB -0.616 30.993 31.823 -0.356 0.000 0.654 346 V HN -0.191 7.949 8.190 0.055 0.083 0.451 347 D N -0.178 120.218 120.400 -0.006 0.000 2.117 347 D HA -0.311 nan 4.640 nan 0.000 0.197 347 D C 1.689 177.959 176.300 -0.050 0.000 0.987 347 D CA 3.228 57.225 54.000 -0.005 0.000 0.829 347 D CB 0.122 40.983 40.800 0.103 0.000 0.961 347 D HN -0.423 7.879 8.370 0.032 0.087 0.460 348 F N 0.306 120.219 119.950 -0.060 0.000 2.102 348 F HA -0.389 nan 4.527 nan 0.000 0.298 348 F C 1.425 177.118 175.800 -0.178 0.000 1.105 348 F CA 3.213 61.166 58.000 -0.079 0.000 1.239 348 F CB 0.419 39.415 39.000 -0.007 0.000 0.991 348 F HN -0.507 7.865 8.300 0.260 0.084 0.474 349 R N -1.675 118.833 120.500 0.012 0.000 2.081 349 R HA -0.425 nan 4.340 nan 0.000 0.235 349 R C 2.933 179.093 176.300 -0.234 0.000 1.131 349 R CA 3.443 59.481 56.100 -0.103 0.000 0.960 349 R CB -0.131 30.202 30.300 0.055 0.000 0.856 349 R HN -0.056 8.298 8.270 0.140 0.000 0.436 350 N N -1.035 117.551 118.700 -0.190 0.000 2.223 350 N HA -0.214 nan 4.740 nan 0.000 0.185 350 N C 1.814 177.152 175.510 -0.287 0.000 1.016 350 N CA 2.638 55.576 53.050 -0.188 0.000 0.863 350 N CB -0.466 37.926 38.487 -0.158 0.000 0.983 350 N HN 0.106 8.399 8.380 -0.146 0.000 0.429 351 N N -3.259 115.164 118.700 -0.461 0.000 2.280 351 N HA 0.131 nan 4.740 nan 0.000 0.192 351 N C -0.438 174.755 175.510 -0.529 0.000 1.109 351 N CA 1.441 54.162 53.050 -0.549 0.000 0.855 351 N CB 1.208 39.101 38.487 -0.989 0.000 0.974 351 N HN -0.410 7.541 8.380 -0.502 0.128 0.482 352 T N -6.032 108.159 114.554 -0.606 0.000 3.145 352 T HA 0.329 nan 4.350 nan 0.000 0.281 352 T C 0.147 174.428 174.700 -0.699 0.000 1.003 352 T CA -0.691 61.027 62.100 -0.637 0.000 0.901 352 T CB 0.664 69.019 68.868 -0.855 0.000 1.112 352 T HN -0.659 7.058 8.240 -0.592 0.168 0.535 353 A N 1.097 123.566 122.820 -0.585 0.000 2.248 353 A HA -0.223 nan 4.320 nan 0.000 0.210 353 A C -0.386 177.016 177.584 -0.302 0.000 1.174 353 A CA 2.387 54.084 52.037 -0.566 0.000 0.750 353 A CB -0.721 18.237 19.000 -0.070 0.000 0.780 353 A HN -0.307 7.513 8.150 -0.446 0.062 0.478 354 D N -5.343 114.883 120.400 -0.290 0.000 2.349 354 D HA -0.048 nan 4.640 nan 0.000 0.214 354 D C -0.567 175.655 176.300 -0.129 0.000 1.063 354 D CA -0.784 53.146 54.000 -0.118 0.000 0.847 354 D CB 0.241 40.989 40.800 -0.086 0.000 0.933 354 D HN -0.172 7.911 8.370 -0.342 0.082 0.513 355 N N 0.347 118.859 118.700 -0.313 0.000 2.621 355 N HA 0.175 nan 4.740 nan 0.000 0.271 355 N C -1.628 173.691 175.510 -0.319 0.000 1.181 355 N CA -0.125 52.808 53.050 -0.196 0.000 0.805 355 N CB 1.024 39.426 38.487 -0.141 0.000 1.351 355 N HN -0.331 7.659 8.380 -0.548 0.060 0.539 356 W N 2.560 123.837 121.300 -0.039 0.000 3.447 356 W HA 0.055 nan 4.660 nan 0.000 0.348 356 W C -0.675 175.812 176.519 -0.053 0.000 1.220 356 W CA -0.913 56.403 57.345 -0.049 0.000 1.809 356 W CB -0.851 28.575 29.460 -0.057 0.000 1.040 356 W HN 0.062 8.367 8.180 0.208 0.000 0.735 357 A N -0.463 122.405 122.820 0.081 0.000 2.295 357 A HA 0.255 nan 4.320 nan 0.000 0.318 357 A C -2.083 175.521 177.584 0.033 0.000 1.134 357 A CA -1.122 50.949 52.037 0.056 0.000 0.827 357 A CB 2.219 21.256 19.000 0.062 0.000 1.136 357 A HN -0.621 7.691 8.150 0.035 -0.141 0.493 358 V N -0.086 119.836 119.914 0.014 0.000 2.333 358 V HA 0.182 nan 4.120 nan 0.000 0.274 358 V C -0.195 175.992 176.094 0.155 0.000 1.028 358 V CA -0.801 61.528 62.300 0.047 0.000 0.851 358 V CB -0.350 31.408 31.823 -0.108 0.000 1.000 358 V HN 0.239 8.431 8.190 0.003 0.000 0.456 359 T N 3.720 118.410 114.554 0.226 0.000 2.918 359 T HA 0.396 nan 4.350 nan 0.000 0.286 359 T C -0.168 174.716 174.700 0.306 0.000 1.026 359 T CA -2.049 60.187 62.100 0.226 0.000 1.031 359 T CB 3.064 72.038 68.868 0.177 0.000 1.046 359 T HN 0.415 8.699 8.240 0.259 0.111 0.479 360 N N 0.523 119.395 118.700 0.288 0.000 2.705 360 N HA -0.411 nan 4.740 nan 0.000 0.255 360 N C -1.083 174.673 175.510 0.411 0.000 1.008 360 N CA 0.893 54.136 53.050 0.322 0.000 0.742 360 N CB -0.790 37.881 38.487 0.306 0.000 0.906 360 N HN 0.302 8.823 8.380 0.235 0.000 0.541 361 W N -1.473 119.982 121.300 0.258 0.000 2.251 361 W HA -0.173 nan 4.660 nan 0.000 0.327 361 W C -1.082 175.625 176.519 0.314 0.000 1.361 361 W CA -0.608 56.911 57.345 0.292 0.000 1.234 361 W CB 0.433 30.008 29.460 0.192 0.000 1.212 361 W HN -0.552 7.937 8.180 0.516 0.000 0.557 362 W N 9.477 130.620 121.300 -0.262 0.000 3.022 362 W HA 0.123 nan 4.660 nan 0.000 0.335 362 W C -2.716 173.625 176.519 -0.297 0.000 1.133 362 W CA -0.567 56.711 57.345 -0.112 0.000 1.219 362 W CB 3.403 32.836 29.460 -0.044 0.000 1.409 362 W HN 0.513 8.454 8.180 -0.398 0.000 0.507 363 D N 3.103 122.748 120.400 -1.258 0.000 2.615 363 D HA 0.332 nan 4.640 nan 0.000 0.267 363 D C -1.415 173.976 176.300 -1.515 0.000 1.236 363 D CA -1.083 52.179 54.000 -1.230 0.000 0.839 363 D CB 2.452 43.060 40.800 -0.321 0.000 1.380 363 D HN -0.307 7.302 8.370 -1.268 0.000 0.433 364 N N -1.422 116.706 118.700 -0.954 0.000 2.279 364 N HA 0.040 nan 4.740 nan 0.000 0.226 364 N C 0.208 175.564 175.510 -0.256 0.000 1.126 364 N CA -0.850 51.903 53.050 -0.495 0.000 0.846 364 N CB -0.019 38.350 38.487 -0.197 0.000 1.050 364 N HN -0.067 7.880 8.380 -0.721 0.000 0.502 365 T N -5.987 108.420 114.554 -0.246 0.000 7.679 365 T HA -0.414 nan 4.350 nan 0.000 0.300 365 T C -1.261 173.362 174.700 -0.128 0.000 2.098 365 T CA 2.227 64.254 62.100 -0.121 0.000 3.313 365 T CB -1.520 67.308 68.868 -0.066 0.000 1.898 365 T HN 0.356 8.548 8.240 -0.336 -0.153 1.144 366 N N 1.776 120.365 118.700 -0.185 0.000 2.504 366 N HA 0.204 nan 4.740 nan 0.000 0.115 366 N C -1.055 174.283 175.510 -0.287 0.000 1.699 366 N CA 0.758 53.672 53.050 -0.226 0.000 1.209 366 N CB 1.504 39.892 38.487 -0.165 0.000 0.989 366 N HN -0.132 8.301 8.380 -0.210 -0.179 0.366 367 N N 0.069 118.619 118.700 -0.249 0.000 2.380 367 N HA 0.269 nan 4.740 nan 0.000 0.255 367 N C -1.751 173.630 175.510 -0.215 0.000 1.158 367 N CA -0.699 52.178 53.050 -0.288 0.000 0.878 367 N CB 0.442 38.749 38.487 -0.301 0.000 1.138 367 N HN -0.138 8.436 8.380 -0.190 -0.309 0.509 368 Q N -1.551 118.150 119.800 -0.164 0.000 2.292 368 Q HA 0.695 nan 4.340 nan 0.000 0.270 368 Q C -2.011 173.937 176.000 -0.086 0.000 1.024 368 Q CA -0.772 55.008 55.803 -0.038 0.000 0.768 368 Q CB 3.164 31.979 28.738 0.128 0.000 1.250 368 Q HN -0.514 7.765 8.270 -0.204 -0.131 0.447 369 I N -0.942 119.606 120.570 -0.037 0.000 2.969 369 I HA 1.008 nan 4.170 nan 0.000 0.307 369 I C -2.433 173.655 176.117 -0.048 0.000 1.149 369 I CA -2.322 58.882 61.300 -0.160 0.000 1.008 369 I CB 3.958 41.769 38.000 -0.315 0.000 1.232 369 I HN 0.302 8.497 8.210 -0.026 0.000 0.435 370 S N 0.598 116.213 115.700 -0.141 0.000 2.543 370 S HA 0.771 nan 4.470 nan 0.000 0.273 370 S C -2.332 172.162 174.600 -0.177 0.000 1.152 370 S CA -0.571 57.554 58.200 -0.124 0.000 0.910 370 S CB 2.401 65.654 63.200 0.088 0.000 1.105 370 S HN 0.414 8.502 8.310 -0.369 0.000 0.465 371 F N 1.807 121.540 119.950 -0.362 0.000 2.713 371 F HA 0.958 nan 4.527 nan 0.000 0.311 371 F C -2.305 173.107 175.800 -0.646 0.000 1.141 371 F CA -1.817 56.003 58.000 -0.299 0.000 0.939 371 F CB 2.777 41.799 39.000 0.036 0.000 1.325 371 F HN -0.035 7.770 8.300 -0.826 0.000 0.453 372 G N -2.739 106.018 108.800 -0.072 0.000 2.735 372 G HA2 0.683 nan 3.960 nan 0.000 0.301 372 G HA3 0.683 nan 3.960 nan 0.000 0.301 372 G C -1.365 173.676 174.900 0.235 0.000 1.279 372 G CA -1.632 43.432 45.100 -0.059 0.000 1.019 372 G HN 0.762 9.211 8.290 0.265 0.000 0.497 373 R N -0.382 120.205 120.500 0.146 0.000 2.881 373 R HA 0.357 nan 4.340 nan 0.000 0.331 373 R C -0.001 176.304 176.300 0.008 0.000 1.207 373 R CA -2.966 53.167 56.100 0.055 0.000 1.265 373 R CB -0.084 30.171 30.300 -0.074 0.000 1.351 373 R HN 0.279 8.626 8.270 0.128 0.000 0.613 374 G N 2.022 110.863 108.800 0.067 0.000 2.539 374 G HA2 -0.399 nan 3.960 nan 0.000 0.256 374 G HA3 -0.399 nan 3.960 nan 0.000 0.256 374 G C -0.688 174.241 174.900 0.049 0.000 1.233 374 G CA 0.283 45.414 45.100 0.052 0.000 0.936 374 G HN 0.013 8.316 8.290 0.115 0.056 0.571 375 S N 0.261 115.974 115.700 0.022 0.000 2.650 375 S HA -0.020 nan 4.470 nan 0.000 0.219 375 S C 0.519 175.118 174.600 -0.002 0.000 0.960 375 S CA 1.356 59.567 58.200 0.019 0.000 0.925 375 S CB -0.103 63.109 63.200 0.020 0.000 0.775 375 S HN 0.174 8.493 8.310 0.014 0.000 0.525 376 S N 0.970 116.646 115.700 -0.041 0.000 2.458 376 S HA 0.060 nan 4.470 nan 0.000 0.223 376 S C -0.765 173.769 174.600 -0.110 0.000 1.019 376 S CA 2.726 60.869 58.200 -0.094 0.000 0.937 376 S CB 1.422 64.510 63.200 -0.187 0.000 0.788 376 S HN -0.619 7.577 8.310 -0.042 0.089 0.511 377 G N -3.083 105.677 108.800 -0.066 0.000 2.466 377 G HA2 0.307 nan 3.960 nan 0.000 0.291 377 G HA3 0.307 nan 3.960 nan 0.000 0.291 377 G C -3.427 171.600 174.900 0.212 0.000 1.460 377 G CA 0.589 45.707 45.100 0.029 0.000 0.791 377 G HN -0.999 7.278 8.290 -0.022 0.000 0.505 378 H N -0.550 118.637 119.070 0.195 0.000 3.046 378 H HA 0.900 nan 4.556 nan 0.000 0.361 378 H C -2.275 172.969 175.328 -0.140 0.000 1.235 378 H CA -0.462 55.593 56.048 0.012 0.000 1.146 378 H CB 4.411 34.117 29.762 -0.093 0.000 1.859 378 H HN 0.371 8.912 8.280 0.436 0.000 0.548 379 M N -0.465 118.845 119.600 -0.483 0.000 2.683 379 M HA 0.865 nan 4.480 nan 0.000 0.274 379 M C -2.470 173.586 176.300 -0.406 0.000 1.272 379 M CA -1.731 53.264 55.300 -0.507 0.000 0.833 379 M CB 5.094 37.175 32.600 -0.866 0.000 1.708 379 M HN 0.498 8.256 8.290 -0.886 0.000 0.463 380 A N -2.605 120.051 122.820 -0.273 0.000 2.566 380 A HA 0.806 nan 4.320 nan 0.000 0.297 380 A C -2.770 174.761 177.584 -0.088 0.000 1.059 380 A CA 0.109 52.051 52.037 -0.158 0.000 0.691 380 A CB 3.116 22.065 19.000 -0.084 0.000 1.282 380 A HN 0.518 8.511 8.150 -0.262 0.000 0.401 381 I N 0.637 121.181 120.570 -0.044 0.000 2.498 381 I HA 0.488 nan 4.170 nan 0.000 0.290 381 I C -2.342 173.764 176.117 -0.019 0.000 1.032 381 I CA -1.165 60.131 61.300 -0.006 0.000 1.073 381 I CB 3.548 41.568 38.000 0.032 0.000 1.251 381 I HN 0.469 8.651 8.210 -0.047 0.000 0.426 382 N N 6.910 125.603 118.700 -0.013 0.000 2.479 382 N HA 0.332 nan 4.740 nan 0.000 0.261 382 N C -1.754 173.701 175.510 -0.091 0.000 0.979 382 N CA -0.891 52.149 53.050 -0.016 0.000 0.930 382 N CB 1.545 40.055 38.487 0.039 0.000 1.172 382 N HN 0.670 9.057 8.380 0.011 0.000 0.499 383 K N 5.391 125.671 120.400 -0.199 0.000 2.537 383 K HA 0.171 nan 4.320 nan 0.000 0.206 383 K C -0.856 175.628 176.600 -0.194 0.000 1.041 383 K CA -1.633 54.390 56.287 -0.440 0.000 1.090 383 K CB 0.886 33.012 32.500 -0.623 0.000 0.833 383 K HN 0.463 8.613 8.250 -0.167 0.000 0.493 384 E N 0.065 120.263 120.200 -0.004 0.000 2.504 384 E HA 0.003 nan 4.350 nan 0.000 0.253 384 E C -0.261 176.461 176.600 0.204 0.000 1.151 384 E CA -0.706 55.743 56.400 0.081 0.000 0.972 384 E CB 1.129 30.854 29.700 0.042 0.000 1.247 384 E HN -0.478 8.109 8.360 -0.004 -0.229 0.519 385 D N -2.540 117.949 120.400 0.147 0.000 2.350 385 D HA 0.049 nan 4.640 nan 0.000 0.213 385 D C -0.260 176.091 176.300 0.085 0.000 1.031 385 D CA 1.134 55.208 54.000 0.123 0.000 0.861 385 D CB 0.312 41.155 40.800 0.073 0.000 0.926 385 D HN 0.393 8.824 8.370 0.102 0.000 0.520 386 S N -1.489 114.258 115.700 0.078 0.000 2.638 386 S HA 0.087 nan 4.470 nan 0.000 0.302 386 S C -0.607 174.030 174.600 0.062 0.000 1.096 386 S CA -1.067 57.168 58.200 0.058 0.000 0.953 386 S CB 2.365 65.592 63.200 0.044 0.000 1.107 386 S HN -0.611 7.697 8.310 0.083 0.052 0.503 387 T N 0.089 114.671 114.554 0.047 0.000 2.934 387 T HA -0.073 nan 4.350 nan 0.000 0.306 387 T C -0.366 174.357 174.700 0.038 0.000 1.042 387 T CA 0.849 62.974 62.100 0.041 0.000 1.145 387 T CB 0.114 68.997 68.868 0.025 0.000 0.982 387 T HN -0.136 8.128 8.240 0.039 0.000 0.544 388 L N 6.264 127.506 121.223 0.033 0.000 2.261 388 L HA 0.287 nan 4.340 nan 0.000 0.289 388 L C -0.556 176.299 176.870 -0.025 0.000 1.059 388 L CA -0.949 53.906 54.840 0.025 0.000 0.816 388 L CB 1.183 43.262 42.059 0.033 0.000 1.191 388 L HN 0.538 8.681 8.230 0.033 0.107 0.431 389 T N 3.649 118.182 114.554 -0.036 0.000 3.200 389 T HA 0.259 nan 4.350 nan 0.000 0.284 389 T C 0.031 174.662 174.700 -0.114 0.000 1.009 389 T CA -1.168 60.894 62.100 -0.063 0.000 0.907 389 T CB -0.314 68.535 68.868 -0.033 0.000 1.120 389 T HN 0.165 8.399 8.240 -0.010 0.000 0.534 390 A N 1.126 123.831 122.820 -0.191 0.000 2.425 390 A HA 0.081 nan 4.320 nan 0.000 0.242 390 A C -0.629 176.744 177.584 -0.352 0.000 1.077 390 A CA 0.183 52.036 52.037 -0.307 0.000 0.781 390 A CB 0.735 19.380 19.000 -0.591 0.000 1.020 390 A HN -0.295 7.687 8.150 -0.183 0.058 0.494 391 T N 2.369 116.740 114.554 -0.304 0.000 2.743 391 T HA 0.345 nan 4.350 nan 0.000 0.293 391 T C -0.623 173.864 174.700 -0.355 0.000 0.945 391 T CA 0.111 62.055 62.100 -0.260 0.000 1.030 391 T CB 0.128 68.901 68.868 -0.157 0.000 0.912 391 T HN -0.204 7.885 8.240 -0.251 0.000 0.483 392 V N 3.273 122.975 119.914 -0.352 0.000 2.815 392 V HA 0.551 nan 4.120 nan 0.000 0.314 392 V C -1.713 174.246 176.094 -0.225 0.000 1.064 392 V CA -3.094 59.003 62.300 -0.339 0.000 0.952 392 V CB 3.116 34.727 31.823 -0.354 0.000 1.020 392 V HN 0.458 8.465 8.190 -0.306 0.000 0.439 393 Q N 3.103 122.826 119.800 -0.128 0.000 2.243 393 Q HA 0.414 nan 4.340 nan 0.000 0.252 393 Q C -0.868 175.049 176.000 -0.139 0.000 0.909 393 Q CA -0.475 55.270 55.803 -0.096 0.000 0.922 393 Q CB 1.220 29.956 28.738 -0.003 0.000 1.215 393 Q HN 0.171 8.399 8.270 -0.069 0.000 0.427 394 T N 0.640 115.074 114.554 -0.200 0.000 2.888 394 T HA 0.453 nan 4.350 nan 0.000 0.288 394 T C -1.230 173.441 174.700 -0.048 0.000 1.063 394 T CA -2.007 59.964 62.100 -0.215 0.000 1.010 394 T CB 3.376 71.960 68.868 -0.472 0.000 1.214 394 T HN -0.058 8.081 8.240 -0.168 0.000 0.533 395 D N -0.183 120.227 120.400 0.016 0.000 2.462 395 D HA 0.344 nan 4.640 nan 0.000 0.221 395 D C -0.561 175.747 176.300 0.013 0.000 1.173 395 D CA 0.371 54.388 54.000 0.028 0.000 0.831 395 D CB 0.442 41.278 40.800 0.059 0.000 1.001 395 D HN 0.348 8.754 8.370 0.060 0.000 0.499 396 M N 0.546 120.133 119.600 -0.022 0.000 2.288 396 M HA 0.007 nan 4.480 nan 0.000 0.334 396 M C -0.433 175.889 176.300 0.037 0.000 1.150 396 M CA -0.113 55.179 55.300 -0.013 0.000 1.118 396 M CB 1.351 33.879 32.600 -0.119 0.000 1.501 396 M HN -0.668 7.499 8.290 -0.061 0.087 0.462 397 A N 2.104 124.988 122.820 0.107 0.000 2.511 397 A HA 0.027 nan 4.320 nan 0.000 0.242 397 A C -0.319 177.369 177.584 0.173 0.000 1.069 397 A CA 0.061 52.169 52.037 0.119 0.000 0.763 397 A CB 0.232 19.301 19.000 0.116 0.000 1.001 397 A HN 0.251 8.474 8.150 0.122 0.000 0.498 398 S N 2.378 118.135 115.700 0.095 0.000 2.573 398 S HA 0.069 nan 4.470 nan 0.000 0.277 398 S C -0.307 174.337 174.600 0.074 0.000 1.346 398 S CA 0.025 58.279 58.200 0.089 0.000 1.034 398 S CB 0.705 63.925 63.200 0.033 0.000 0.879 398 S HN 0.030 8.374 8.310 0.058 0.000 0.528 399 G N 0.430 109.272 108.800 0.070 0.000 2.350 399 G HA2 -0.095 nan 3.960 nan 0.000 0.282 399 G HA3 -0.095 nan 3.960 nan 0.000 0.282 399 G C -2.992 171.872 174.900 -0.060 0.000 1.314 399 G CA -0.200 44.861 45.100 -0.065 0.000 0.915 399 G HN 0.107 8.459 8.290 0.104 0.000 0.499 400 Q N 0.178 119.844 119.800 -0.223 0.000 2.282 400 Q HA 0.827 nan 4.340 nan 0.000 0.260 400 Q C -1.224 174.592 176.000 -0.306 0.000 0.964 400 Q CA -1.493 54.230 55.803 -0.133 0.000 0.880 400 Q CB 2.512 31.187 28.738 -0.105 0.000 1.286 400 Q HN 0.310 8.403 8.270 -0.296 0.000 0.445 401 Y N -0.045 120.221 120.300 -0.056 0.000 2.512 401 Y HA 0.447 nan 4.550 nan 0.000 0.348 401 Y C -1.276 174.578 175.900 -0.077 0.000 0.990 401 Y CA -1.471 56.585 58.100 -0.073 0.000 1.033 401 Y CB 4.652 43.069 38.460 -0.072 0.000 1.259 401 Y HN 0.753 9.143 8.280 0.184 0.000 0.461 402 c N 2.650 121.285 118.600 0.058 0.000 2.514 402 c HA 0.138 nan 4.570 nan 0.000 0.392 402 c C -0.277 173.810 174.090 -0.005 0.000 1.294 402 c CA 0.055 56.386 56.329 0.003 0.000 1.957 402 c CB -0.761 41.730 42.510 -0.032 0.000 2.541 402 c HN 0.385 8.635 8.230 0.033 0.000 0.569 403 N N 4.083 122.772 118.700 -0.019 0.000 2.400 403 N HA -0.041 nan 4.740 nan 0.000 0.267 403 N C 1.672 177.146 175.510 -0.060 0.000 1.208 403 N CA -0.165 52.858 53.050 -0.044 0.000 0.951 403 N CB -0.068 38.384 38.487 -0.058 0.000 1.227 403 N HN 0.001 8.371 8.380 -0.017 0.000 0.488 404 V N 1.156 121.046 119.914 -0.039 0.000 3.026 404 V HA -0.112 nan 4.120 nan 0.000 0.265 404 V C 0.098 176.160 176.094 -0.053 0.000 1.121 404 V CA 1.967 64.259 62.300 -0.014 0.000 1.142 404 V CB -0.835 31.034 31.823 0.076 0.000 0.730 404 V HN 0.175 8.351 8.190 -0.024 0.000 0.503 405 L N -1.760 119.376 121.223 -0.145 0.000 2.395 405 L HA 0.008 nan 4.340 nan 0.000 0.218 405 L C 0.629 177.227 176.870 -0.454 0.000 1.130 405 L CA 1.334 55.983 54.840 -0.318 0.000 0.826 405 L CB -0.214 41.582 42.059 -0.438 0.000 0.941 405 L HN -0.570 7.764 8.230 -0.133 -0.184 0.451 406 K N -4.744 115.490 120.400 -0.276 0.000 2.402 406 K HA 0.124 nan 4.320 nan 0.000 0.204 406 K C -0.192 176.353 176.600 -0.091 0.000 1.056 406 K CA -0.147 56.017 56.287 -0.204 0.000 1.069 406 K CB 2.002 34.404 32.500 -0.163 0.000 0.888 406 K HN -0.436 7.543 8.250 -0.194 0.154 0.546 407 G N -1.183 107.579 108.800 -0.062 0.000 2.340 407 G HA2 0.107 nan 3.960 nan 0.000 0.299 407 G HA3 0.107 nan 3.960 nan 0.000 0.299 407 G C -2.544 172.350 174.900 -0.009 0.000 1.291 407 G CA 0.512 45.598 45.100 -0.023 0.000 0.841 407 G HN -0.827 7.419 8.290 -0.074 0.000 0.500 408 E N -2.518 117.682 120.200 0.000 0.000 2.449 408 E HA 0.200 nan 4.350 nan 0.000 0.278 408 E C -1.793 174.804 176.600 -0.005 0.000 0.992 408 E CA -1.443 54.959 56.400 0.004 0.000 0.807 408 E CB 3.100 32.815 29.700 0.026 0.000 1.350 408 E HN 0.344 8.705 8.360 0.001 0.000 0.462 409 L N 0.259 121.476 121.223 -0.010 0.000 2.416 409 L HA 0.133 nan 4.340 nan 0.000 0.272 409 L C 0.361 177.227 176.870 -0.006 0.000 1.161 409 L CA 0.201 55.031 54.840 -0.017 0.000 0.845 409 L CB 0.899 42.942 42.059 -0.027 0.000 1.119 409 L HN 0.161 8.387 8.230 -0.007 0.000 0.464 410 S N 7.432 123.126 115.700 -0.010 0.000 2.600 410 S HA 0.009 nan 4.470 nan 0.000 0.265 410 S C 1.250 175.847 174.600 -0.004 0.000 1.325 410 S CA -0.130 58.068 58.200 -0.004 0.000 1.002 410 S CB 1.507 64.703 63.200 -0.007 0.000 0.921 410 S HN 0.511 8.811 8.310 -0.016 0.000 0.554 411 A N 3.904 126.725 122.820 0.000 0.000 1.948 411 A HA -0.247 nan 4.320 nan 0.000 0.220 411 A C 0.115 177.695 177.584 -0.005 0.000 1.177 411 A CA 2.803 54.840 52.037 0.000 0.000 0.636 411 A CB -0.667 18.335 19.000 0.003 0.000 0.815 411 A HN 0.448 8.600 8.150 0.003 0.000 0.449 412 D N -3.376 117.019 120.400 -0.008 0.000 2.328 412 D HA -0.074 nan 4.640 nan 0.000 0.221 412 D C 0.035 176.323 176.300 -0.020 0.000 1.072 412 D CA -0.876 53.116 54.000 -0.013 0.000 0.850 412 D CB -1.200 39.593 40.800 -0.012 0.000 0.922 412 D HN -0.653 7.698 8.370 -0.007 0.015 0.516 413 A N -1.278 121.528 122.820 -0.022 0.000 2.826 413 A HA -0.482 nan 4.320 nan 0.000 0.274 413 A C -0.304 177.255 177.584 -0.042 0.000 1.443 413 A CA 1.426 53.442 52.037 -0.034 0.000 0.833 413 A CB -1.451 17.525 19.000 -0.039 0.000 1.023 413 A HN 0.156 8.091 8.150 -0.017 0.205 0.600 414 K N -1.933 118.447 120.400 -0.033 0.000 2.352 414 K HA 0.114 nan 4.320 nan 0.000 0.194 414 K C -0.251 176.328 176.600 -0.034 0.000 1.038 414 K CA 0.112 56.379 56.287 -0.034 0.000 1.023 414 K CB 0.685 33.170 32.500 -0.025 0.000 0.840 414 K HN -0.324 8.081 8.250 -0.026 -0.171 0.519 415 S N -4.064 111.618 115.700 -0.030 0.000 2.588 415 S HA 0.189 nan 4.470 nan 0.000 0.269 415 S C -2.213 172.372 174.600 -0.026 0.000 1.157 415 S CA -0.988 57.196 58.200 -0.028 0.000 0.824 415 S CB 2.746 65.934 63.200 -0.019 0.000 1.126 415 S HN -0.489 7.804 8.310 -0.028 0.000 0.464 416 c N -0.029 118.557 118.600 -0.024 0.000 2.486 416 c HA 0.631 nan 4.570 nan 0.000 0.348 416 c C 0.751 174.833 174.090 -0.014 0.000 1.203 416 c CA -1.064 55.253 56.329 -0.020 0.000 1.911 416 c CB 2.978 45.474 42.510 -0.023 0.000 2.340 416 c HN 0.612 8.827 8.230 -0.024 0.000 0.511 417 S N 0.195 115.889 115.700 -0.010 0.000 2.517 417 S HA 0.021 nan 4.470 nan 0.000 0.214 417 S C -0.017 174.577 174.600 -0.011 0.000 0.991 417 S CA 0.752 58.949 58.200 -0.006 0.000 0.906 417 S CB 0.463 63.665 63.200 0.003 0.000 0.789 417 S HN 0.451 8.755 8.310 -0.010 0.000 0.513 418 G N 1.500 110.289 108.800 -0.018 0.000 3.251 418 G HA2 0.170 nan 3.960 nan 0.000 0.248 418 G HA3 0.170 nan 3.960 nan 0.000 0.248 418 G C -2.038 172.849 174.900 -0.022 0.000 1.320 418 G CA -1.351 43.735 45.100 -0.024 0.000 0.982 418 G HN -0.679 7.556 8.290 -0.018 0.044 0.575 419 E N -2.719 117.467 120.200 -0.024 0.000 2.418 419 E HA -0.069 nan 4.350 nan 0.000 0.261 419 E C -0.632 175.959 176.600 -0.015 0.000 1.070 419 E CA -0.222 56.167 56.400 -0.018 0.000 0.931 419 E CB 0.904 30.594 29.700 -0.016 0.000 0.954 419 E HN -0.079 8.264 8.360 -0.029 0.000 0.439 420 V N 1.203 121.111 119.914 -0.009 0.000 2.483 420 V HA 0.528 nan 4.120 nan 0.000 0.295 420 V C -0.543 175.558 176.094 0.011 0.000 1.035 420 V CA -1.095 61.206 62.300 0.002 0.000 0.896 420 V CB 1.141 32.961 31.823 -0.005 0.000 0.986 420 V HN 0.140 8.324 8.190 -0.010 0.000 0.447 421 I N 6.495 127.089 120.570 0.039 0.000 2.404 421 I HA 0.303 nan 4.170 nan 0.000 0.293 421 I C -0.874 175.293 176.117 0.084 0.000 0.992 421 I CA -1.989 59.332 61.300 0.035 0.000 1.149 421 I CB 1.722 39.730 38.000 0.014 0.000 1.315 421 I HN 1.065 9.205 8.210 0.064 0.108 0.446 422 T N 7.166 121.746 114.554 0.043 0.000 2.771 422 T HA 0.360 nan 4.350 nan 0.000 0.281 422 T C -0.687 174.038 174.700 0.041 0.000 0.982 422 T CA -0.605 61.531 62.100 0.059 0.000 0.978 422 T CB 0.934 69.811 68.868 0.015 0.000 0.930 422 T HN 0.255 8.499 8.240 0.007 0.000 0.447 423 V N 8.108 128.084 119.914 0.103 0.000 2.364 423 V HA 0.201 nan 4.120 nan 0.000 0.272 423 V C -0.301 175.810 176.094 0.029 0.000 1.036 423 V CA -1.071 61.252 62.300 0.038 0.000 0.880 423 V CB 0.043 31.915 31.823 0.082 0.000 0.991 423 V HN 0.783 9.096 8.190 0.206 0.000 0.460 424 N N 8.850 127.542 118.700 -0.015 0.000 2.326 424 N HA -0.040 nan 4.740 nan 0.000 0.239 424 N C 1.148 176.653 175.510 -0.008 0.000 1.301 424 N CA 0.073 53.114 53.050 -0.015 0.000 0.909 424 N CB 0.840 39.308 38.487 -0.032 0.000 1.156 424 N HN 0.578 8.933 8.380 -0.041 0.000 0.462 425 S N -0.631 115.064 115.700 -0.008 0.000 2.419 425 S HA -0.274 nan 4.470 nan 0.000 0.235 425 S C -0.021 174.576 174.600 -0.006 0.000 1.019 425 S CA 2.880 61.078 58.200 -0.004 0.000 0.982 425 S CB -0.146 63.050 63.200 -0.006 0.000 0.789 425 S HN 0.468 8.772 8.310 -0.010 0.000 0.490 426 D N -2.565 117.827 120.400 -0.014 0.000 2.342 426 D HA 0.052 nan 4.640 nan 0.000 0.221 426 D C 1.022 177.307 176.300 -0.025 0.000 1.101 426 D CA -1.089 52.902 54.000 -0.016 0.000 0.837 426 D CB -0.877 39.912 40.800 -0.017 0.000 0.938 426 D HN -0.347 7.976 8.370 -0.019 0.036 0.508 427 G N -1.019 107.763 108.800 -0.030 0.000 2.179 427 G HA2 -0.403 nan 3.960 nan 0.000 0.260 427 G HA3 -0.403 nan 3.960 nan 0.000 0.260 427 G C -0.283 174.557 174.900 -0.100 0.000 0.977 427 G CA 0.546 45.614 45.100 -0.052 0.000 0.641 427 G HN 0.163 8.254 8.290 -0.020 0.187 0.533 428 T N -2.032 112.467 114.554 -0.092 0.000 2.849 428 T HA 0.542 nan 4.350 nan 0.000 0.284 428 T C -1.275 173.340 174.700 -0.142 0.000 1.004 428 T CA -1.021 61.002 62.100 -0.129 0.000 1.021 428 T CB 1.536 70.342 68.868 -0.103 0.000 1.013 428 T HN -0.484 7.934 8.240 -0.066 -0.218 0.527 429 I N 0.078 120.539 120.570 -0.181 0.000 2.533 429 I HA 0.314 nan 4.170 nan 0.000 0.290 429 I C -1.759 174.262 176.117 -0.159 0.000 1.056 429 I CA -0.580 60.622 61.300 -0.163 0.000 1.057 429 I CB 3.283 41.162 38.000 -0.201 0.000 1.240 429 I HN 0.191 8.275 8.210 -0.210 0.000 0.423 430 N N 7.377 126.005 118.700 -0.119 0.000 2.521 430 N HA 0.264 nan 4.740 nan 0.000 0.236 430 N C 0.093 175.538 175.510 -0.109 0.000 1.067 430 N CA -0.122 52.860 53.050 -0.114 0.000 0.939 430 N CB -0.140 38.299 38.487 -0.080 0.000 1.201 430 N HN 0.399 8.722 8.380 -0.096 0.000 0.511 431 L N 2.291 123.429 121.223 -0.141 0.000 2.482 431 L HA -0.035 nan 4.340 nan 0.000 0.273 431 L C -0.537 176.286 176.870 -0.079 0.000 1.228 431 L CA 0.838 55.608 54.840 -0.118 0.000 0.827 431 L CB 0.621 42.585 42.059 -0.157 0.000 1.099 431 L HN -0.075 8.044 8.230 -0.184 0.000 0.494 432 N N 1.523 120.191 118.700 -0.053 0.000 2.785 432 N HA 0.110 nan 4.740 nan 0.000 0.224 432 N C -1.448 174.056 175.510 -0.011 0.000 1.448 432 N CA -0.063 52.970 53.050 -0.029 0.000 0.748 432 N CB 0.524 38.996 38.487 -0.025 0.000 1.385 432 N HN -0.183 8.165 8.380 -0.053 0.000 0.538 433 I N 2.909 123.477 120.570 -0.003 0.000 2.362 433 I HA 0.249 nan 4.170 nan 0.000 0.289 433 I C -0.800 175.343 176.117 0.044 0.000 0.994 433 I CA -1.164 60.149 61.300 0.022 0.000 1.158 433 I CB 2.506 40.517 38.000 0.019 0.000 1.315 433 I HN 0.177 8.379 8.210 -0.012 0.000 0.451 434 G N 4.554 113.389 108.800 0.058 0.000 2.667 434 G HA2 -0.063 nan 3.960 nan 0.000 0.250 434 G HA3 -0.063 nan 3.960 nan 0.000 0.250 434 G C -1.480 173.486 174.900 0.111 0.000 1.212 434 G CA -1.006 44.138 45.100 0.072 0.000 0.874 434 G HN 0.257 8.582 8.290 0.057 0.000 0.561 435 A N 0.041 122.939 122.820 0.131 0.000 2.565 435 A HA -0.233 nan 4.320 nan 0.000 0.237 435 A C 0.228 178.025 177.584 0.355 0.000 1.053 435 A CA 0.480 52.656 52.037 0.232 0.000 0.755 435 A CB -0.032 19.087 19.000 0.198 0.000 0.980 435 A HN 0.085 8.294 8.150 0.098 0.000 0.506 436 W N -0.039 121.269 121.300 0.013 0.000 6.111 436 W HA -0.437 nan 4.660 nan 0.000 0.409 436 W C -1.936 174.591 176.519 0.013 0.000 1.586 436 W CA 1.279 58.632 57.345 0.014 0.000 1.027 436 W CB -2.101 27.359 29.460 0.001 0.000 2.784 436 W HN 0.500 8.918 8.180 0.397 0.000 1.485 437 D N -2.297 118.206 120.400 0.172 0.000 2.610 437 D HA 0.402 nan 4.640 nan 0.000 0.271 437 D C -2.759 173.631 176.300 0.151 0.000 1.174 437 D CA -1.788 52.318 54.000 0.176 0.000 0.949 437 D CB 4.111 45.016 40.800 0.174 0.000 1.430 437 D HN -0.520 7.928 8.370 0.131 0.000 0.467 438 A N -1.949 120.999 122.820 0.215 0.000 2.581 438 A HA 0.862 nan 4.320 nan 0.000 0.290 438 A C -2.187 175.432 177.584 0.059 0.000 1.119 438 A CA -0.550 51.560 52.037 0.121 0.000 0.670 438 A CB 3.504 22.589 19.000 0.141 0.000 1.280 438 A HN 0.020 8.367 8.150 0.329 0.000 0.425 439 M N -2.988 116.592 119.600 -0.033 0.000 2.484 439 M HA 0.415 nan 4.480 nan 0.000 0.289 439 M C -2.408 173.798 176.300 -0.157 0.000 1.206 439 M CA -0.967 54.285 55.300 -0.081 0.000 0.892 439 M CB 4.476 37.038 32.600 -0.063 0.000 1.712 439 M HN 0.344 8.600 8.290 -0.056 0.000 0.462 440 A N 0.400 123.126 122.820 -0.156 0.000 2.459 440 A HA 0.984 nan 4.320 nan 0.000 0.296 440 A C -2.739 174.835 177.584 -0.016 0.000 1.039 440 A CA -0.358 51.551 52.037 -0.213 0.000 0.698 440 A CB 2.491 21.251 19.000 -0.401 0.000 1.261 440 A HN 0.260 8.605 8.150 -0.115 -0.264 0.405 441 I N -2.338 118.278 120.570 0.076 0.000 2.730 441 I HA 0.856 nan 4.170 nan 0.000 0.298 441 I C -2.754 173.467 176.117 0.174 0.000 1.089 441 I CA -2.000 59.326 61.300 0.043 0.000 1.041 441 I CB 3.181 41.084 38.000 -0.161 0.000 1.235 441 I HN 0.744 9.001 8.210 0.080 0.000 0.423 442 H N 0.235 119.357 119.070 0.088 0.000 2.980 442 H HA 0.507 nan 4.556 nan 0.000 0.367 442 H C 0.237 175.623 175.328 0.096 0.000 1.206 442 H CA -1.533 54.515 56.048 -0.001 0.000 1.126 442 H CB 3.332 33.021 29.762 -0.122 0.000 1.838 442 H HN 0.184 8.345 8.280 -0.197 0.000 0.552 443 K N -0.710 119.841 120.400 0.252 0.000 2.286 443 K HA -0.403 nan 4.320 nan 0.000 0.203 443 K C 0.882 177.621 176.600 0.232 0.000 1.045 443 K CA 2.929 59.369 56.287 0.255 0.000 0.935 443 K CB -0.417 32.161 32.500 0.131 0.000 0.737 443 K HN 0.279 8.622 8.250 0.155 0.000 0.460 444 N N -1.199 117.730 118.700 0.382 0.000 2.276 444 N HA 0.040 nan 4.740 nan 0.000 0.212 444 N C -0.996 174.584 175.510 0.117 0.000 1.127 444 N CA 0.507 53.707 53.050 0.250 0.000 0.834 444 N CB 0.241 38.867 38.487 0.231 0.000 1.014 444 N HN -0.489 8.324 8.380 0.785 0.038 0.491 445 A N -0.769 121.988 122.820 -0.105 0.000 2.992 445 A HA 0.222 nan 4.320 nan 0.000 0.263 445 A C -2.446 175.083 177.584 -0.092 0.000 0.928 445 A CA -0.742 51.182 52.037 -0.188 0.000 1.061 445 A CB 0.918 19.628 19.000 -0.483 0.000 1.173 445 A HN -0.384 7.666 8.150 -0.030 0.081 0.482 446 K N -0.275 120.051 120.400 -0.123 0.000 2.159 446 K HA 0.569 nan 4.320 nan 0.000 0.266 446 K C -0.725 175.723 176.600 -0.253 0.000 0.975 446 K CA -1.339 54.734 56.287 -0.357 0.000 0.865 446 K CB 1.615 33.847 32.500 -0.448 0.000 1.087 446 K HN -0.265 7.879 8.250 -0.076 0.060 0.446 447 L N 5.481 126.539 121.223 -0.276 0.000 2.426 447 L HA 0.013 nan 4.340 nan 0.000 0.271 447 L C -0.623 176.154 176.870 -0.154 0.000 1.169 447 L CA 0.342 55.080 54.840 -0.169 0.000 0.836 447 L CB 0.419 42.394 42.059 -0.140 0.000 1.112 447 L HN 0.589 8.592 8.230 -0.377 0.000 0.465 448 N N 0.000 118.638 118.700 -0.103 0.000 1.763 448 N HA 0.000 nan 4.740 nan 0.000 0.220 448 N CA 0.000 53.000 53.050 -0.083 0.000 0.885 448 N CB 0.000 38.451 38.487 -0.060 0.000 1.341 448 N HN 0.000 8.328 8.380 -0.086 0.000 0.667