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 3cyj_1_A DATA FIRST_RESID 4 DATA SEQUENCE PRVERLEVSA YTVPTDYPES DGTLQWDSTT MILVEAHGGG RKGLGYTYGD DATA SEQUENCE VSVGRFVESK LAGVAEGSDA LSPPAVWARM QAAIRNAGRP GVGAMAVSAV DATA SEQUENCE DIALWDLKAR LLGLPLADAL PRFHAEVPVY GSGGFTSYPL RRLQEQLGGW DATA SEQUENCE AAAGIPRVKM KVGREPEKDP ERVRAAREAI GESVELMVDA NGAYTRKQAL DATA SEQUENCE YWAGAFAREA GISYLEEPVS SEDREGLRLL RDRGPGGVAI AAGEYEWTLP DATA SEQUENCE QLHDLAGCVD ILQADVTRCG GITGLLRVDG ICRGHQIPFS AHCAPAVSAH DATA SEQUENCE ACCAVESLLH LEYFHDHARV ERLLFDGTLD PEGGSLRPDP DRPGLGLELK DATA SEQUENCE RSEAGKYAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.290 177.300 -0.017 0.000 1.155 4 P CA 0.000 63.092 63.100 -0.013 0.000 0.800 4 P CB 0.000 31.690 31.700 -0.016 0.000 0.726 5 R N 0.290 120.785 120.500 -0.009 0.000 2.807 5 R HA 0.637 4.976 4.340 -0.000 0.000 0.276 5 R C -0.536 175.763 176.300 -0.001 0.000 0.979 5 R CA -1.058 55.037 56.100 -0.010 0.000 0.928 5 R CB 2.425 32.722 30.300 -0.005 0.000 1.191 5 R HN 0.221 nan 8.270 nan 0.000 0.471 6 V N 2.517 122.429 119.914 -0.003 0.000 2.446 6 V HA 0.070 4.189 4.120 -0.000 0.000 0.276 6 V C 1.610 177.719 176.094 0.025 0.000 1.030 6 V CA 0.846 63.154 62.300 0.013 0.000 1.033 6 V CB 0.576 32.403 31.823 0.007 0.000 0.993 6 V HN 1.055 nan 8.190 nan 0.000 0.477 7 E N 4.676 124.904 120.200 0.047 0.000 2.166 7 E HA 0.198 4.547 4.350 -0.000 0.000 0.192 7 E C 1.150 177.775 176.600 0.042 0.000 0.967 7 E CA 0.674 57.097 56.400 0.040 0.000 0.840 7 E CB 0.440 30.166 29.700 0.042 0.000 0.795 7 E HN 0.682 nan 8.360 nan 0.000 0.470 8 R N -1.123 119.425 120.500 0.080 0.000 2.579 8 R HA 0.500 4.839 4.340 -0.000 0.000 0.260 8 R C -1.955 174.436 176.300 0.151 0.000 1.103 8 R CA -0.475 55.671 56.100 0.077 0.000 0.942 8 R CB 1.050 31.355 30.300 0.008 0.000 1.251 8 R HN 0.225 nan 8.270 nan 0.000 0.450 9 L N 3.587 124.875 121.223 0.109 0.000 2.322 9 L HA 0.514 4.854 4.340 -0.000 0.000 0.281 9 L C -0.451 176.492 176.870 0.122 0.000 1.014 9 L CA -0.720 54.196 54.840 0.125 0.000 0.815 9 L CB 2.034 44.141 42.059 0.080 0.000 1.247 9 L HN 0.664 nan 8.230 nan 0.000 0.421 10 E N 2.849 123.145 120.200 0.160 0.000 2.187 10 E HA 0.560 4.910 4.350 -0.000 0.000 0.268 10 E C -1.279 175.388 176.600 0.111 0.000 0.896 10 E CA -0.726 55.752 56.400 0.130 0.000 0.766 10 E CB 2.961 32.767 29.700 0.177 0.000 1.142 10 E HN 0.192 nan 8.360 nan 0.000 0.408 11 V N 1.881 121.842 119.914 0.078 0.000 2.628 11 V HA 0.623 4.743 4.120 -0.000 0.000 0.306 11 V C -0.234 175.879 176.094 0.032 0.000 1.045 11 V CA -0.592 61.747 62.300 0.065 0.000 0.905 11 V CB 1.569 33.422 31.823 0.050 0.000 0.997 11 V HN 0.876 nan 8.190 nan 0.000 0.436 12 S N 2.188 117.894 115.700 0.010 0.000 2.625 12 S HA 0.977 5.447 4.470 -0.000 0.000 0.271 12 S C -0.830 173.607 174.600 -0.271 0.000 1.161 12 S CA -0.304 57.820 58.200 -0.127 0.000 0.820 12 S CB 2.163 65.316 63.200 -0.078 0.000 1.137 12 S HN 1.707 nan 8.310 nan 0.000 0.470 13 A N 0.571 123.026 122.820 -0.607 0.000 2.539 13 A HA 0.859 5.179 4.320 -0.000 0.000 0.296 13 A C -2.116 174.917 177.584 -0.918 0.000 1.073 13 A CA -0.788 50.939 52.037 -0.517 0.000 0.700 13 A CB 1.062 19.944 19.000 -0.197 0.000 1.296 13 A HN 0.902 nan 8.150 nan 0.000 0.405 14 Y N -0.263 120.050 120.300 0.022 0.000 2.457 14 Y HA 0.626 5.176 4.550 -0.000 0.000 0.343 14 Y C 0.168 176.094 175.900 0.044 0.000 0.994 14 Y CA -0.599 57.525 58.100 0.040 0.000 1.031 14 Y CB 2.742 41.205 38.460 0.005 0.000 1.246 14 Y HN 0.532 nan 8.280 nan 0.000 0.449 15 T N 3.056 117.731 114.554 0.202 0.000 2.792 15 T HA 0.641 4.991 4.350 -0.000 0.000 0.280 15 T C -1.014 173.761 174.700 0.125 0.000 0.990 15 T CA -0.681 61.504 62.100 0.143 0.000 0.960 15 T CB 1.151 70.090 68.868 0.119 0.000 0.939 15 T HN 0.347 nan 8.240 nan 0.000 0.439 16 V N 5.675 125.596 119.914 0.011 0.000 2.483 16 V HA 0.375 4.494 4.120 -0.000 0.000 0.297 16 V C -2.429 173.645 176.094 -0.033 0.000 1.027 16 V CA -2.361 59.850 62.300 -0.149 0.000 0.855 16 V CB 1.601 33.195 31.823 -0.382 0.000 0.995 16 V HN 0.661 nan 8.190 nan 0.000 0.424 17 P HA 0.100 nan 4.420 nan 0.000 0.265 17 P C 0.374 177.672 177.300 -0.004 0.000 1.187 17 P CA 0.218 63.335 63.100 0.029 0.000 0.766 17 P CB 0.227 31.958 31.700 0.052 0.000 0.820 18 T N -1.113 113.442 114.554 0.001 0.000 2.856 18 T HA 0.052 4.401 4.350 -0.000 0.000 0.306 18 T C 0.900 175.612 174.700 0.019 0.000 1.062 18 T CA -0.329 61.764 62.100 -0.013 0.000 1.083 18 T CB 0.305 69.121 68.868 -0.086 0.000 0.984 18 T HN 0.443 nan 8.240 nan 0.000 0.542 19 D N -1.020 119.431 120.400 0.084 0.000 2.363 19 D HA 0.044 4.684 4.640 -0.000 0.000 0.226 19 D C -0.010 176.398 176.300 0.180 0.000 1.020 19 D CA 0.228 54.298 54.000 0.117 0.000 0.892 19 D CB -0.403 40.481 40.800 0.139 0.000 0.900 19 D HN 0.654 nan 8.370 nan 0.000 0.531 20 Y N -0.754 119.534 120.300 -0.020 0.000 2.641 20 Y HA 0.363 4.913 4.550 -0.000 0.000 0.333 20 Y C -2.753 173.082 175.900 -0.109 0.000 1.174 20 Y CA -2.297 55.779 58.100 -0.039 0.000 1.057 20 Y CB 1.560 40.025 38.460 0.008 0.000 1.322 20 Y HN -0.313 nan 8.280 nan 0.000 0.457 21 P HA 0.176 nan 4.420 nan 0.000 0.268 21 P C -1.377 175.723 177.300 -0.333 0.000 1.204 21 P CA 0.384 63.248 63.100 -0.393 0.000 0.768 21 P CB 0.693 32.136 31.700 -0.429 0.000 0.842 22 E N 0.810 120.604 120.200 -0.676 0.000 2.256 22 E HA 0.603 4.953 4.350 -0.000 0.000 0.267 22 E C -0.510 175.361 176.600 -1.215 0.000 0.892 22 E CA -0.725 55.009 56.400 -1.109 0.000 0.775 22 E CB 1.873 30.419 29.700 -1.924 0.000 1.207 22 E HN 0.511 nan 8.360 nan 0.000 0.420 23 S N 0.985 116.219 115.700 -0.777 0.000 2.625 23 S HA 0.641 5.111 4.470 -0.000 0.000 0.271 23 S C -1.436 173.251 174.600 0.144 0.000 1.161 23 S CA -1.004 57.010 58.200 -0.310 0.000 0.820 23 S CB 1.898 65.039 63.200 -0.098 0.000 1.137 23 S HN 0.565 nan 8.310 nan 0.000 0.470 24 D N -0.894 119.715 120.400 0.347 0.000 2.867 24 D HA 0.577 5.217 4.640 -0.000 0.000 0.308 24 D C 1.338 177.739 176.300 0.168 0.000 1.202 24 D CA -0.229 53.956 54.000 0.309 0.000 1.035 24 D CB -0.136 40.926 40.800 0.437 0.000 1.427 24 D HN 0.725 nan 8.370 nan 0.000 0.570 25 G N -1.387 107.465 108.800 0.086 0.000 2.450 25 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.220 25 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.220 25 G C 1.024 175.946 174.900 0.037 0.000 1.130 25 G CA 1.700 46.804 45.100 0.007 0.000 0.760 25 G HN 0.748 nan 8.290 nan 0.000 0.557 26 T N -3.161 111.440 114.554 0.079 0.000 3.170 26 T HA 0.612 4.962 4.350 -0.000 0.000 0.288 26 T C -0.200 174.569 174.700 0.115 0.000 0.992 26 T CA -0.404 61.739 62.100 0.072 0.000 0.909 26 T CB 0.438 69.329 68.868 0.039 0.000 1.133 26 T HN 0.138 nan 8.240 nan 0.000 0.530 27 L N 0.521 121.863 121.223 0.200 0.000 2.582 27 L HA 0.563 4.903 4.340 -0.000 0.000 0.257 27 L C -2.041 175.082 176.870 0.423 0.000 0.974 27 L CA -0.423 54.579 54.840 0.269 0.000 0.851 27 L CB 2.454 44.647 42.059 0.223 0.000 1.424 27 L HN 0.116 nan 8.230 nan 0.000 0.412 28 Q N 2.311 122.334 119.800 0.371 0.000 2.356 28 Q HA 0.707 5.047 4.340 -0.000 0.000 0.270 28 Q C -1.937 174.300 176.000 0.396 0.000 1.058 28 Q CA -0.506 55.442 55.803 0.241 0.000 0.802 28 Q CB 2.637 31.417 28.738 0.071 0.000 1.303 28 Q HN 0.632 nan 8.270 nan 0.000 0.444 29 W N 0.988 122.270 121.300 -0.029 0.000 3.074 29 W HA 0.532 5.192 4.660 -0.000 0.000 0.332 29 W C -1.025 175.459 176.519 -0.059 0.000 1.253 29 W CA -0.771 56.557 57.345 -0.028 0.000 1.180 29 W CB 0.805 30.261 29.460 -0.006 0.000 1.445 29 W HN 0.573 nan 8.180 nan 0.000 0.573 30 D N 0.299 120.731 120.400 0.054 0.000 2.651 30 D HA 0.288 4.928 4.640 -0.000 0.000 0.280 30 D C -0.340 175.988 176.300 0.047 0.000 1.496 30 D CA 0.263 54.224 54.000 -0.066 0.000 0.792 30 D CB -0.141 40.610 40.800 -0.082 0.000 1.144 30 D HN 0.689 nan 8.370 nan 0.000 0.470 31 S N -1.743 114.069 115.700 0.188 0.000 2.615 31 S HA 0.678 5.148 4.470 -0.000 0.000 0.268 31 S C -1.200 173.539 174.600 0.232 0.000 1.146 31 S CA -0.680 57.619 58.200 0.166 0.000 0.818 31 S CB 1.648 64.917 63.200 0.115 0.000 1.111 31 S HN -0.046 nan 8.310 nan 0.000 0.465 32 T N 1.736 116.385 114.554 0.158 0.000 2.886 32 T HA 0.698 5.048 4.350 -0.000 0.000 0.292 32 T C -1.129 173.673 174.700 0.170 0.000 1.012 32 T CA -0.520 61.682 62.100 0.171 0.000 0.982 32 T CB 1.812 70.770 68.868 0.150 0.000 1.018 32 T HN 0.722 nan 8.240 nan 0.000 0.451 33 T N 3.778 118.451 114.554 0.199 0.000 2.770 33 T HA 0.486 4.836 4.350 -0.000 0.000 0.283 33 T C -0.297 174.539 174.700 0.227 0.000 0.988 33 T CA -0.542 61.664 62.100 0.176 0.000 0.957 33 T CB 0.798 69.735 68.868 0.116 0.000 0.930 33 T HN 0.483 nan 8.240 nan 0.000 0.443 34 M N 4.613 124.318 119.600 0.175 0.000 2.209 34 M HA 0.511 4.990 4.480 -0.000 0.000 0.355 34 M C -1.498 174.836 176.300 0.057 0.000 1.171 34 M CA -0.761 54.551 55.300 0.019 0.000 1.069 34 M CB 0.395 32.949 32.600 -0.076 0.000 1.622 34 M HN 0.441 nan 8.290 nan 0.000 0.459 35 I N 5.575 126.157 120.570 0.020 0.000 2.377 35 I HA 0.381 4.551 4.170 -0.000 0.000 0.293 35 I C -0.913 175.275 176.117 0.119 0.000 0.987 35 I CA -0.401 60.929 61.300 0.051 0.000 1.185 35 I CB 1.571 39.592 38.000 0.034 0.000 1.341 35 I HN 0.574 nan 8.210 nan 0.000 0.455 36 L N 7.758 129.079 121.223 0.162 0.000 2.333 36 L HA 0.712 5.052 4.340 -0.000 0.000 0.280 36 L C -0.986 175.992 176.870 0.180 0.000 1.004 36 L CA -0.386 54.599 54.840 0.241 0.000 0.820 36 L CB 1.652 43.932 42.059 0.369 0.000 1.247 36 L HN 0.341 nan 8.230 nan 0.000 0.416 37 V N 4.384 124.396 119.914 0.163 0.000 2.459 37 V HA 0.520 4.640 4.120 -0.000 0.000 0.295 37 V C -0.411 175.751 176.094 0.114 0.000 1.029 37 V CA -0.652 61.722 62.300 0.124 0.000 0.874 37 V CB 1.659 33.541 31.823 0.098 0.000 0.985 37 V HN 0.753 nan 8.190 nan 0.000 0.438 38 E N 2.917 123.180 120.200 0.104 0.000 2.176 38 E HA 0.700 5.050 4.350 -0.000 0.000 0.267 38 E C -0.667 175.941 176.600 0.013 0.000 0.893 38 E CA -0.660 55.761 56.400 0.034 0.000 0.761 38 E CB 2.289 32.008 29.700 0.033 0.000 1.133 38 E HN 0.778 nan 8.360 nan 0.000 0.409 39 A N 3.455 126.232 122.820 -0.073 0.000 2.271 39 A HA 0.462 4.782 4.320 -0.000 0.000 0.317 39 A C -1.145 176.342 177.584 -0.161 0.000 1.245 39 A CA -0.583 51.432 52.037 -0.037 0.000 0.857 39 A CB 0.187 19.181 19.000 -0.010 0.000 1.175 39 A HN 0.631 nan 8.150 nan 0.000 0.512 40 H N 0.634 119.716 119.070 0.019 0.000 2.476 40 H HA 0.668 5.223 4.556 -0.000 0.000 0.328 40 H C 0.546 175.877 175.328 0.006 0.000 1.073 40 H CA 0.837 56.894 56.048 0.015 0.000 1.229 40 H CB 1.889 31.661 29.762 0.017 0.000 1.432 40 H HN 1.042 nan 8.280 nan 0.000 0.477 41 G N 0.175 109.027 108.800 0.085 0.000 2.579 41 G HA2 0.401 4.360 3.960 -0.000 0.000 0.292 41 G HA3 0.401 4.360 3.960 -0.000 0.000 0.292 41 G C 0.309 175.225 174.900 0.028 0.000 1.484 41 G CA -0.280 44.850 45.100 0.050 0.000 0.813 41 G HN 0.893 nan 8.290 nan 0.000 0.515 42 G N -0.930 107.882 108.800 0.020 0.000 2.337 42 G HA2 0.210 4.170 3.960 -0.000 0.000 0.290 42 G HA3 0.210 4.170 3.960 -0.000 0.000 0.290 42 G C 1.827 176.736 174.900 0.016 0.000 1.003 42 G CA 1.771 46.878 45.100 0.011 0.000 0.825 42 G HN 2.794 nan 8.290 nan 0.000 0.509 43 G N -2.208 106.609 108.800 0.030 0.000 2.199 43 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.254 43 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.254 43 G C 0.629 175.548 174.900 0.032 0.000 0.982 43 G CA 1.104 46.223 45.100 0.032 0.000 0.632 43 G HN 0.924 nan 8.290 nan 0.000 0.529 44 R N -0.085 120.428 120.500 0.022 0.000 2.893 44 R HA 0.784 5.124 4.340 -0.000 0.000 0.245 44 R C -0.131 176.153 176.300 -0.026 0.000 1.192 44 R CA -0.563 55.539 56.100 0.003 0.000 1.077 44 R CB 1.238 31.533 30.300 -0.008 0.000 1.253 44 R HN 0.391 nan 8.270 nan 0.000 0.505 45 K N -0.088 120.269 120.400 -0.072 0.000 2.541 45 K HA 0.472 4.792 4.320 -0.000 0.000 0.250 45 K C -0.801 175.719 176.600 -0.134 0.000 0.950 45 K CA -0.525 55.650 56.287 -0.186 0.000 0.805 45 K CB 1.840 34.158 32.500 -0.304 0.000 1.166 45 K HN 0.714 nan 8.250 nan 0.000 0.430 46 G N 4.184 112.907 108.800 -0.128 0.000 2.389 46 G HA2 0.548 4.508 3.960 -0.000 0.000 0.317 46 G HA3 0.548 4.508 3.960 -0.000 0.000 0.317 46 G C -0.794 174.073 174.900 -0.057 0.000 1.137 46 G CA -0.954 44.103 45.100 -0.071 0.000 0.870 46 G HN 0.636 nan 8.290 nan 0.000 0.496 47 L N 0.677 121.884 121.223 -0.027 0.000 2.370 47 L HA 1.005 5.345 4.340 -0.000 0.000 0.266 47 L C -0.244 176.650 176.870 0.039 0.000 1.002 47 L CA -0.818 54.036 54.840 0.024 0.000 0.818 47 L CB 2.220 44.317 42.059 0.062 0.000 1.325 47 L HN 0.735 nan 8.230 nan 0.000 0.418 48 G N 1.774 110.626 108.800 0.086 0.000 2.660 48 G HA2 0.704 4.664 3.960 -0.000 0.000 0.294 48 G HA3 0.704 4.664 3.960 -0.000 0.000 0.294 48 G C -2.012 172.971 174.900 0.138 0.000 1.369 48 G CA -0.548 44.576 45.100 0.039 0.000 0.912 48 G HN 0.949 nan 8.290 nan 0.000 0.479 49 Y N -1.961 118.336 120.300 -0.006 0.000 2.655 49 Y HA 0.876 5.425 4.550 -0.000 0.000 0.336 49 Y C -0.357 175.464 175.900 -0.132 0.000 1.154 49 Y CA -1.228 56.840 58.100 -0.054 0.000 1.055 49 Y CB 1.713 40.136 38.460 -0.062 0.000 1.295 49 Y HN 0.731 nan 8.280 nan 0.000 0.465 50 T N -0.252 114.282 114.554 -0.032 0.000 2.841 50 T HA 0.600 4.949 4.350 -0.000 0.000 0.296 50 T C -2.277 172.283 174.700 -0.233 0.000 1.166 50 T CA -0.658 61.371 62.100 -0.118 0.000 1.007 50 T CB 0.940 69.792 68.868 -0.026 0.000 1.253 50 T HN 0.543 nan 8.240 nan 0.000 0.511 51 Y N 0.613 120.965 120.300 0.085 0.000 2.335 51 Y HA 0.715 5.265 4.550 -0.000 0.000 0.338 51 Y C 0.910 176.843 175.900 0.055 0.000 0.977 51 Y CA 0.227 58.358 58.100 0.051 0.000 1.114 51 Y CB 2.083 40.528 38.460 -0.025 0.000 1.182 51 Y HN 1.057 nan 8.280 nan 0.000 0.463 52 G N 1.584 110.493 108.800 0.182 0.000 2.356 52 G HA2 0.129 4.089 3.960 -0.000 0.000 0.281 52 G HA3 0.129 4.089 3.960 -0.000 0.000 0.281 52 G C -1.905 173.042 174.900 0.077 0.000 1.246 52 G CA -1.007 44.157 45.100 0.108 0.000 0.889 52 G HN 0.431 nan 8.290 nan 0.000 0.486 53 D N -0.483 119.944 120.400 0.045 0.000 2.304 53 D HA 0.382 5.022 4.640 -0.000 0.000 0.247 53 D C 2.056 178.376 176.300 0.033 0.000 1.089 53 D CA 0.426 54.448 54.000 0.037 0.000 0.910 53 D CB 1.787 42.600 40.800 0.022 0.000 1.199 53 D HN 0.826 nan 8.370 nan 0.000 0.426 54 V N 1.248 121.180 119.914 0.029 0.000 2.546 54 V HA -0.243 3.877 4.120 -0.000 0.000 0.254 54 V C 1.880 177.988 176.094 0.023 0.000 1.076 54 V CA 2.014 64.324 62.300 0.017 0.000 1.087 54 V CB -1.481 30.346 31.823 0.006 0.000 0.674 54 V HN 0.603 nan 8.190 nan 0.000 0.470 55 S N 0.257 115.975 115.700 0.030 0.000 2.440 55 S HA -0.146 4.324 4.470 -0.000 0.000 0.238 55 S C 1.802 176.445 174.600 0.072 0.000 1.010 55 S CA 1.426 59.654 58.200 0.046 0.000 0.972 55 S CB -0.846 62.380 63.200 0.043 0.000 0.774 55 S HN 0.505 nan 8.310 nan 0.000 0.501 56 V N 2.448 122.391 119.914 0.048 0.000 2.332 56 V HA -0.142 3.977 4.120 -0.000 0.000 0.248 56 V C 2.915 179.070 176.094 0.100 0.000 1.055 56 V CA 1.953 64.284 62.300 0.052 0.000 1.038 56 V CB -1.737 30.095 31.823 0.014 0.000 0.651 56 V HN 0.661 nan 8.190 nan 0.000 0.450 57 G N -0.276 108.564 108.800 0.066 0.000 2.440 57 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.218 57 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.218 57 G C 1.665 176.606 174.900 0.068 0.000 1.154 57 G CA 1.049 46.183 45.100 0.058 0.000 0.767 57 G HN 0.416 nan 8.290 nan 0.000 0.552 58 R N -0.023 120.517 120.500 0.066 0.000 2.081 58 R HA -0.010 4.329 4.340 -0.000 0.000 0.235 58 R C 2.145 178.487 176.300 0.070 0.000 1.131 58 R CA 1.235 57.366 56.100 0.052 0.000 0.960 58 R CB -1.007 29.317 30.300 0.041 0.000 0.856 58 R HN 0.366 nan 8.270 nan 0.000 0.436 59 F N -0.221 119.720 119.950 -0.015 0.000 2.095 59 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 59 F C 1.980 177.771 175.800 -0.015 0.000 1.104 59 F CA 1.749 59.737 58.000 -0.019 0.000 1.232 59 F CB -0.268 38.718 39.000 -0.023 0.000 0.987 59 F HN -0.141 nan 8.300 nan 0.000 0.475 60 V N 0.381 120.446 119.914 0.252 0.000 2.252 60 V HA -0.353 3.766 4.120 -0.000 0.000 0.249 60 V C 2.176 178.294 176.094 0.039 0.000 1.056 60 V CA 2.431 64.819 62.300 0.145 0.000 1.022 60 V CB -0.832 31.063 31.823 0.120 0.000 0.641 60 V HN 0.365 nan 8.190 nan 0.000 0.445 61 E N -0.008 120.205 120.200 0.022 0.000 2.058 61 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 61 E C 2.423 178.991 176.600 -0.054 0.000 0.997 61 E CA 1.708 58.102 56.400 -0.009 0.000 0.801 61 E CB -0.299 29.397 29.700 -0.006 0.000 0.746 61 E HN 0.558 nan 8.360 nan 0.000 0.450 62 S N -0.354 115.284 115.700 -0.104 0.000 2.377 62 S HA -0.069 4.401 4.470 -0.000 0.000 0.223 62 S C 1.681 176.156 174.600 -0.209 0.000 1.030 62 S CA 0.934 59.040 58.200 -0.157 0.000 0.970 62 S CB 0.196 63.277 63.200 -0.199 0.000 0.830 62 S HN -0.020 nan 8.310 nan 0.000 0.473 63 K N 0.185 120.406 120.400 -0.298 0.000 2.399 63 K HA 0.403 4.723 4.320 -0.000 0.000 0.196 63 K C 1.791 178.310 176.600 -0.136 0.000 1.117 63 K CA 0.277 56.381 56.287 -0.306 0.000 0.965 63 K CB -0.188 31.933 32.500 -0.631 0.000 0.983 63 K HN 0.369 nan 8.250 nan 0.000 0.531 64 L N -0.031 121.155 121.223 -0.062 0.000 2.388 64 L HA 0.212 4.552 4.340 -0.000 0.000 0.209 64 L C 2.347 179.223 176.870 0.010 0.000 1.061 64 L CA 0.639 55.485 54.840 0.011 0.000 0.834 64 L CB -0.461 41.649 42.059 0.085 0.000 1.029 64 L HN -0.065 nan 8.230 nan 0.000 0.473 65 A N 1.060 123.885 122.820 0.007 0.000 1.908 65 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 65 A C 2.321 179.907 177.584 0.003 0.000 1.181 65 A CA 2.009 54.054 52.037 0.014 0.000 0.627 65 A CB -1.292 17.715 19.000 0.013 0.000 0.818 65 A HN 0.427 nan 8.150 nan 0.000 0.445 66 G N -1.048 107.744 108.800 -0.013 0.000 2.448 66 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.219 66 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.219 66 G C 1.401 176.294 174.900 -0.011 0.000 1.127 66 G CA 1.205 46.295 45.100 -0.016 0.000 0.766 66 G HN 0.351 nan 8.290 nan 0.000 0.552 67 V N 0.868 120.777 119.914 -0.008 0.000 2.446 67 V HA 0.056 4.176 4.120 -0.000 0.000 0.244 67 V C 3.162 179.260 176.094 0.007 0.000 1.039 67 V CA 1.717 64.015 62.300 -0.002 0.000 1.045 67 V CB -0.289 31.534 31.823 -0.001 0.000 0.681 67 V HN 0.435 nan 8.190 nan 0.000 0.459 68 A N -0.563 122.265 122.820 0.014 0.000 1.897 68 A HA -0.074 4.245 4.320 -0.000 0.000 0.215 68 A C 1.163 178.754 177.584 0.012 0.000 1.181 68 A CA 0.448 52.495 52.037 0.018 0.000 0.620 68 A CB -0.346 18.671 19.000 0.029 0.000 0.821 68 A HN 0.594 nan 8.150 nan 0.000 0.443 69 E N -0.878 119.330 120.200 0.013 0.000 2.480 69 E HA 0.331 4.681 4.350 -0.000 0.000 0.258 69 E C 0.952 177.555 176.600 0.004 0.000 0.984 69 E CA 0.534 56.941 56.400 0.011 0.000 0.930 69 E CB 0.060 29.766 29.700 0.011 0.000 0.936 69 E HN 0.665 nan 8.360 nan 0.000 0.466 70 G N 2.736 111.539 108.800 0.004 0.000 2.194 70 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.236 70 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.236 70 G C 0.331 175.228 174.900 -0.004 0.000 0.987 70 G CA 0.072 45.172 45.100 -0.001 0.000 0.635 70 G HN 0.482 nan 8.290 nan 0.000 0.520 71 S N 0.452 116.149 115.700 -0.006 0.000 2.632 71 S HA 0.480 4.950 4.470 -0.000 0.000 0.271 71 S C -0.041 174.545 174.600 -0.023 0.000 1.260 71 S CA -0.158 58.034 58.200 -0.013 0.000 1.010 71 S CB 1.579 64.771 63.200 -0.014 0.000 0.965 71 S HN 0.422 nan 8.310 nan 0.000 0.534 72 D N 1.071 121.452 120.400 -0.031 0.000 2.412 72 D HA 0.162 4.801 4.640 -0.000 0.000 0.257 72 D C 0.840 177.100 176.300 -0.067 0.000 1.217 72 D CA -0.150 53.824 54.000 -0.043 0.000 0.897 72 D CB 0.649 41.422 40.800 -0.045 0.000 1.132 72 D HN 0.521 nan 8.370 nan 0.000 0.493 73 A N 4.365 127.148 122.820 -0.062 0.000 2.216 73 A HA -0.039 4.281 4.320 -0.000 0.000 0.214 73 A C 1.922 179.433 177.584 -0.121 0.000 1.160 73 A CA 0.533 52.522 52.037 -0.080 0.000 0.725 73 A CB -0.246 18.724 19.000 -0.051 0.000 0.784 73 A HN 0.726 nan 8.150 nan 0.000 0.472 74 L N -1.088 120.063 121.223 -0.120 0.000 2.640 74 L HA 0.160 4.500 4.340 -0.000 0.000 0.230 74 L C 0.225 176.964 176.870 -0.217 0.000 1.123 74 L CA 0.220 54.973 54.840 -0.146 0.000 0.900 74 L CB 0.445 42.450 42.059 -0.090 0.000 1.146 74 L HN 0.169 nan 8.230 nan 0.000 0.484 75 S N -0.187 115.378 115.700 -0.225 0.000 2.128 75 S HA 0.253 4.723 4.470 -0.000 0.000 0.157 75 S C -1.814 172.612 174.600 -0.290 0.000 1.650 75 S CA -0.759 57.296 58.200 -0.241 0.000 1.269 75 S CB 1.024 64.150 63.200 -0.124 0.000 1.227 75 S HN -0.043 nan 8.310 nan 0.000 0.405 76 P HA -0.077 nan 4.420 nan 0.000 0.216 76 P C -1.684 175.505 177.300 -0.185 0.000 1.150 76 P CA 1.256 64.067 63.100 -0.481 0.000 0.843 76 P CB -0.826 30.202 31.700 -1.121 0.000 0.787 77 P HA -0.098 nan 4.420 nan 0.000 0.218 77 P C 1.429 178.806 177.300 0.128 0.000 1.149 77 P CA 1.711 64.835 63.100 0.040 0.000 0.817 77 P CB -0.629 31.085 31.700 0.023 0.000 0.785 78 A N -0.508 122.340 122.820 0.046 0.000 1.972 78 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 78 A C 2.232 179.871 177.584 0.092 0.000 1.169 78 A CA 1.797 53.873 52.037 0.066 0.000 0.635 78 A CB -1.676 17.334 19.000 0.015 0.000 0.810 78 A HN 0.062 nan 8.150 nan 0.000 0.446 79 V N -2.499 117.462 119.914 0.080 0.000 2.379 79 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 79 V C 2.135 178.331 176.094 0.170 0.000 1.044 79 V CA 1.510 63.863 62.300 0.088 0.000 1.036 79 V CB -1.131 30.721 31.823 0.049 0.000 0.664 79 V HN 0.839 nan 8.190 nan 0.000 0.453 80 W N 1.317 122.626 121.300 0.016 0.000 2.318 80 W HA -0.289 4.371 4.660 -0.000 0.000 0.313 80 W C 2.467 179.016 176.519 0.050 0.000 1.221 80 W CA 2.590 59.964 57.345 0.049 0.000 1.266 80 W CB -0.255 29.252 29.460 0.078 0.000 1.150 80 W HN 0.204 nan 8.180 nan 0.000 0.496 81 A N 0.455 123.511 122.820 0.392 0.000 1.877 81 A HA -0.186 4.133 4.320 -0.000 0.000 0.216 81 A C 1.971 179.583 177.584 0.046 0.000 1.186 81 A CA 1.887 54.056 52.037 0.220 0.000 0.620 81 A CB -0.819 18.329 19.000 0.248 0.000 0.822 81 A HN 0.401 nan 8.150 nan 0.000 0.443 82 R N -1.037 119.497 120.500 0.057 0.000 2.096 82 R HA -0.042 4.298 4.340 -0.000 0.000 0.235 82 R C 2.279 178.568 176.300 -0.019 0.000 1.127 82 R CA 1.639 57.750 56.100 0.018 0.000 0.968 82 R CB -0.373 29.943 30.300 0.026 0.000 0.861 82 R HN 0.546 nan 8.270 nan 0.000 0.440 83 M N 0.274 119.854 119.600 -0.034 0.000 2.086 83 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 83 M C 2.239 178.468 176.300 -0.118 0.000 1.067 83 M CA 1.514 56.776 55.300 -0.063 0.000 1.116 83 M CB -0.218 32.347 32.600 -0.059 0.000 1.348 83 M HN 0.081 nan 8.290 nan 0.000 0.407 84 Q N 0.064 119.714 119.800 -0.251 0.000 2.096 84 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 84 Q C 2.213 178.142 176.000 -0.119 0.000 0.982 84 Q CA 1.974 57.615 55.803 -0.269 0.000 0.850 84 Q CB -0.698 27.755 28.738 -0.475 0.000 0.901 84 Q HN 0.591 nan 8.270 nan 0.000 0.422 85 A N 1.120 123.893 122.820 -0.079 0.000 1.898 85 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 85 A C 2.342 179.910 177.584 -0.026 0.000 1.181 85 A CA 1.810 53.827 52.037 -0.035 0.000 0.620 85 A CB -0.642 18.349 19.000 -0.014 0.000 0.819 85 A HN 0.369 nan 8.150 nan 0.000 0.442 86 A N 0.324 123.126 122.820 -0.030 0.000 2.015 86 A HA 0.012 4.332 4.320 -0.000 0.000 0.219 86 A C 1.849 179.419 177.584 -0.023 0.000 1.163 86 A CA 1.311 53.331 52.037 -0.027 0.000 0.646 86 A CB -0.694 18.286 19.000 -0.032 0.000 0.806 86 A HN 1.018 nan 8.150 nan 0.000 0.448 87 I N -3.888 116.681 120.570 -0.002 0.000 3.855 87 I HA 0.246 4.416 4.170 -0.000 0.000 0.327 87 I C 1.628 177.769 176.117 0.041 0.000 1.359 87 I CA -0.006 61.321 61.300 0.045 0.000 1.142 87 I CB -0.149 37.960 38.000 0.183 0.000 1.041 87 I HN 0.223 nan 8.210 nan 0.000 0.403 88 R N 1.959 122.466 120.500 0.011 0.000 2.094 88 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 88 R C 1.528 177.837 176.300 0.014 0.000 1.137 88 R CA 2.471 58.578 56.100 0.012 0.000 0.943 88 R CB -0.159 30.145 30.300 0.008 0.000 0.850 88 R HN 0.448 nan 8.270 nan 0.000 0.433 89 N N -0.107 118.597 118.700 0.008 0.000 2.409 89 N HA -0.038 4.702 4.740 -0.000 0.000 0.179 89 N C 1.196 176.716 175.510 0.016 0.000 1.032 89 N CA 1.133 54.186 53.050 0.005 0.000 0.898 89 N CB 0.022 38.505 38.487 -0.006 0.000 0.971 89 N HN 0.327 nan 8.380 nan 0.000 0.441 90 A N -0.037 122.805 122.820 0.036 0.000 2.123 90 A HA 0.437 4.757 4.320 -0.000 0.000 0.214 90 A C 0.844 178.537 177.584 0.181 0.000 1.152 90 A CA 0.746 52.833 52.037 0.083 0.000 0.728 90 A CB -0.212 18.790 19.000 0.004 0.000 0.814 90 A HN 0.261 nan 8.150 nan 0.000 0.464 91 G N -0.974 107.885 108.800 0.099 0.000 3.380 91 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.685 91 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.685 91 G C 0.156 175.009 174.900 -0.079 0.000 1.136 91 G CA 0.083 45.178 45.100 -0.008 0.000 1.011 91 G HN 0.368 nan 8.290 nan 0.000 0.471 92 R N 1.701 122.118 120.500 -0.137 0.000 2.073 92 R HA 0.083 4.423 4.340 -0.000 0.000 0.229 92 R C -1.013 175.096 176.300 -0.318 0.000 1.120 92 R CA 1.611 57.614 56.100 -0.161 0.000 0.967 92 R CB -0.258 30.000 30.300 -0.070 0.000 0.862 92 R HN 0.543 nan 8.270 nan 0.000 0.436 93 P HA 0.208 nan 4.420 nan 0.000 0.278 93 P C 0.204 177.204 177.300 -0.501 0.000 1.266 93 P CA 0.441 63.061 63.100 -0.800 0.000 0.807 93 P CB 1.043 31.466 31.700 -2.129 0.000 1.094 94 G N -0.342 108.270 108.800 -0.314 0.000 2.561 94 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.289 94 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.289 94 G C 1.017 175.787 174.900 -0.217 0.000 1.169 94 G CA 0.392 45.368 45.100 -0.207 0.000 0.980 94 G HN 0.350 nan 8.290 nan 0.000 0.550 95 V N 1.996 121.764 119.914 -0.244 0.000 2.278 95 V HA -0.134 3.986 4.120 -0.000 0.000 0.251 95 V C 3.268 179.028 176.094 -0.557 0.000 1.062 95 V CA 3.627 65.752 62.300 -0.292 0.000 1.038 95 V CB -1.356 30.322 31.823 -0.242 0.000 0.646 95 V HN 1.512 nan 8.190 nan 0.000 0.447 96 G N -0.948 107.338 108.800 -0.856 0.000 2.442 96 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 96 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 96 G C 1.705 176.266 174.900 -0.565 0.000 1.141 96 G CA 1.071 45.391 45.100 -1.299 0.000 0.763 96 G HN 0.652 nan 8.290 nan 0.000 0.554 97 A N 0.343 122.965 122.820 -0.329 0.000 1.930 97 A HA 0.206 4.525 4.320 -0.000 0.000 0.215 97 A C 2.425 179.964 177.584 -0.076 0.000 1.176 97 A CA 1.379 53.335 52.037 -0.136 0.000 0.632 97 A CB -0.283 18.695 19.000 -0.037 0.000 0.819 97 A HN 0.353 nan 8.150 nan 0.000 0.445 98 M N -0.432 119.106 119.600 -0.103 0.000 2.159 98 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 98 M C 2.518 178.793 176.300 -0.043 0.000 1.063 98 M CA 1.473 56.746 55.300 -0.045 0.000 1.110 98 M CB -0.396 32.178 32.600 -0.044 0.000 1.374 98 M HN 0.512 nan 8.290 nan 0.000 0.411 99 A N -0.211 122.546 122.820 -0.105 0.000 1.855 99 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 99 A C 2.187 179.796 177.584 0.042 0.000 1.191 99 A CA 1.482 53.511 52.037 -0.014 0.000 0.613 99 A CB -1.039 17.978 19.000 0.028 0.000 0.829 99 A HN 0.268 nan 8.150 nan 0.000 0.442 100 V N 0.297 120.219 119.914 0.014 0.000 2.324 100 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 100 V C 2.837 179.006 176.094 0.125 0.000 1.060 100 V CA 2.480 64.809 62.300 0.049 0.000 1.042 100 V CB -0.890 30.900 31.823 -0.055 0.000 0.650 100 V HN 0.579 nan 8.190 nan 0.000 0.450 101 S N -0.085 115.681 115.700 0.110 0.000 2.348 101 S HA -0.190 4.279 4.470 -0.000 0.000 0.221 101 S C 2.235 176.885 174.600 0.082 0.000 1.033 101 S CA 1.469 59.748 58.200 0.132 0.000 1.010 101 S CB -0.578 62.673 63.200 0.085 0.000 0.891 101 S HN 0.680 nan 8.310 nan 0.000 0.442 102 A N 1.200 124.045 122.820 0.041 0.000 1.883 102 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 102 A C 2.364 179.986 177.584 0.062 0.000 1.186 102 A CA 1.771 53.820 52.037 0.021 0.000 0.624 102 A CB -1.029 17.992 19.000 0.036 0.000 0.822 102 A HN 0.346 nan 8.150 nan 0.000 0.444 103 V N 0.373 120.342 119.914 0.091 0.000 2.343 103 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 103 V C 2.301 178.471 176.094 0.127 0.000 1.051 103 V CA 2.509 64.870 62.300 0.101 0.000 1.036 103 V CB -0.886 30.999 31.823 0.104 0.000 0.654 103 V HN 0.766 nan 8.190 nan 0.000 0.451 104 D N -0.090 120.425 120.400 0.191 0.000 2.144 104 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 104 D C 1.942 178.409 176.300 0.277 0.000 0.984 104 D CA 1.380 55.543 54.000 0.273 0.000 0.834 104 D CB -0.123 40.926 40.800 0.415 0.000 0.955 104 D HN 0.465 nan 8.370 nan 0.000 0.465 105 I N 0.264 120.937 120.570 0.173 0.000 2.315 105 I HA -0.163 4.006 4.170 -0.000 0.000 0.248 105 I C 2.463 178.642 176.117 0.104 0.000 1.117 105 I CA 0.860 62.229 61.300 0.115 0.000 1.404 105 I CB -0.280 37.699 38.000 -0.035 0.000 1.071 105 I HN 0.068 nan 8.210 nan 0.000 0.419 106 A N 1.145 124.010 122.820 0.075 0.000 1.877 106 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 106 A C 2.294 179.902 177.584 0.041 0.000 1.186 106 A CA 1.329 53.395 52.037 0.049 0.000 0.620 106 A CB -0.847 18.182 19.000 0.048 0.000 0.822 106 A HN 0.370 nan 8.150 nan 0.000 0.443 107 L N -2.821 118.427 121.223 0.042 0.000 2.083 107 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 107 L C 2.584 179.407 176.870 -0.077 0.000 1.083 107 L CA 1.314 56.132 54.840 -0.037 0.000 0.752 107 L CB -0.501 41.511 42.059 -0.078 0.000 0.899 107 L HN 0.608 nan 8.230 nan 0.000 0.433 108 W N 0.496 121.782 121.300 -0.024 0.000 2.443 108 W HA -0.161 4.499 4.660 -0.000 0.000 0.296 108 W C 2.418 178.902 176.519 -0.057 0.000 1.202 108 W CA 0.995 58.316 57.345 -0.040 0.000 1.312 108 W CB -0.192 29.239 29.460 -0.048 0.000 1.120 108 W HN 0.166 nan 8.180 nan 0.000 0.536 109 D N 0.345 120.846 120.400 0.167 0.000 2.106 109 D HA -0.241 4.398 4.640 -0.000 0.000 0.191 109 D C 2.045 178.354 176.300 0.015 0.000 0.997 109 D CA 1.623 55.647 54.000 0.041 0.000 0.834 109 D CB -0.495 40.298 40.800 -0.011 0.000 0.956 109 D HN -0.012 nan 8.370 nan 0.000 0.448 110 L N 1.066 122.288 121.223 -0.002 0.000 2.012 110 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 110 L C 2.230 179.084 176.870 -0.027 0.000 1.073 110 L CA 2.032 56.855 54.840 -0.029 0.000 0.748 110 L CB -0.721 41.311 42.059 -0.045 0.000 0.891 110 L HN -0.001 nan 8.230 nan 0.000 0.431 111 K N -0.749 119.626 120.400 -0.042 0.000 2.063 111 K HA -0.213 4.106 4.320 -0.000 0.000 0.208 111 K C 1.949 178.558 176.600 0.015 0.000 1.048 111 K CA 1.529 57.784 56.287 -0.053 0.000 0.928 111 K CB -0.279 32.125 32.500 -0.160 0.000 0.713 111 K HN 0.476 nan 8.250 nan 0.000 0.442 112 A N 1.529 124.389 122.820 0.066 0.000 1.877 112 A HA -0.171 4.148 4.320 -0.000 0.000 0.216 112 A C 2.134 179.733 177.584 0.024 0.000 1.186 112 A CA 1.557 53.634 52.037 0.066 0.000 0.620 112 A CB -0.514 18.526 19.000 0.068 0.000 0.822 112 A HN 0.367 nan 8.150 nan 0.000 0.443 113 R N -0.551 119.952 120.500 0.006 0.000 2.096 113 R HA -0.106 4.234 4.340 -0.000 0.000 0.240 113 R C 2.022 178.321 176.300 -0.002 0.000 1.139 113 R CA 1.641 57.739 56.100 -0.005 0.000 0.952 113 R CB -0.592 29.698 30.300 -0.017 0.000 0.854 113 R HN 0.522 nan 8.270 nan 0.000 0.436 114 L N 0.455 121.674 121.223 -0.006 0.000 2.191 114 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 114 L C 1.952 178.821 176.870 -0.002 0.000 1.103 114 L CA 0.937 55.773 54.840 -0.007 0.000 0.769 114 L CB -0.183 41.866 42.059 -0.017 0.000 0.908 114 L HN 0.244 nan 8.230 nan 0.000 0.438 115 L N -0.658 120.567 121.223 0.005 0.000 2.592 115 L HA 0.179 4.519 4.340 -0.000 0.000 0.227 115 L C 1.324 178.201 176.870 0.012 0.000 1.127 115 L CA 0.366 55.212 54.840 0.010 0.000 0.884 115 L CB -0.305 41.766 42.059 0.020 0.000 1.065 115 L HN 0.448 nan 8.230 nan 0.000 0.457 116 G N 1.354 110.161 108.800 0.011 0.000 2.221 116 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.265 116 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.265 116 G C -0.070 174.840 174.900 0.017 0.000 1.041 116 G CA 0.182 45.288 45.100 0.011 0.000 0.807 116 G HN 0.273 nan 8.290 nan 0.000 0.502 117 L N -0.332 120.904 121.223 0.021 0.000 2.342 117 L HA 0.496 4.835 4.340 -0.000 0.000 0.271 117 L C -2.056 174.833 176.870 0.032 0.000 1.008 117 L CA -2.726 52.132 54.840 0.030 0.000 0.818 117 L CB 2.192 44.273 42.059 0.037 0.000 1.296 117 L HN -0.167 nan 8.230 nan 0.000 0.427 118 P HA -0.077 nan 4.420 nan 0.000 0.266 118 P C 0.460 177.805 177.300 0.074 0.000 1.193 118 P CA -0.227 62.920 63.100 0.078 0.000 0.770 118 P CB 0.604 32.387 31.700 0.139 0.000 0.836 119 L N 4.319 125.536 121.223 -0.010 0.000 2.042 119 L HA -0.209 4.130 4.340 -0.000 0.000 0.210 119 L C 2.194 179.127 176.870 0.106 0.000 1.076 119 L CA 2.398 57.234 54.840 -0.006 0.000 0.749 119 L CB -1.701 40.236 42.059 -0.204 0.000 0.893 119 L HN 0.450 nan 8.230 nan 0.000 0.432 120 A N -0.956 122.043 122.820 0.298 0.000 1.948 120 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 120 A C 1.987 179.602 177.584 0.052 0.000 1.177 120 A CA 2.068 54.192 52.037 0.146 0.000 0.636 120 A CB -0.791 18.273 19.000 0.107 0.000 0.815 120 A HN 0.578 nan 8.150 nan 0.000 0.449 121 D N -0.488 119.950 120.400 0.063 0.000 2.277 121 D HA 0.103 4.743 4.640 -0.000 0.000 0.208 121 D C 1.955 178.270 176.300 0.026 0.000 0.962 121 D CA 1.111 55.128 54.000 0.028 0.000 0.865 121 D CB -0.127 40.692 40.800 0.032 0.000 0.939 121 D HN 0.465 nan 8.370 nan 0.000 0.510 122 A N 0.078 122.927 122.820 0.050 0.000 2.123 122 A HA 0.122 4.442 4.320 -0.000 0.000 0.214 122 A C 1.175 178.804 177.584 0.076 0.000 1.152 122 A CA 0.209 52.301 52.037 0.091 0.000 0.728 122 A CB 0.016 19.114 19.000 0.163 0.000 0.814 122 A HN 0.107 nan 8.150 nan 0.000 0.464 123 L N -0.437 120.763 121.223 -0.039 0.000 2.387 123 L HA 0.372 4.712 4.340 -0.000 0.000 0.266 123 L C -2.414 174.387 176.870 -0.115 0.000 1.059 123 L CA -2.505 52.244 54.840 -0.151 0.000 0.801 123 L CB 0.759 42.658 42.059 -0.267 0.000 1.223 123 L HN -0.086 nan 8.230 nan 0.000 0.456 124 P HA 0.086 nan 4.420 nan 0.000 0.263 124 P C -1.145 176.018 177.300 -0.228 0.000 1.195 124 P CA 0.129 63.115 63.100 -0.189 0.000 0.762 124 P CB 0.356 31.951 31.700 -0.176 0.000 0.799 125 R N 3.255 123.581 120.500 -0.289 0.000 2.393 125 R HA 0.402 4.742 4.340 -0.000 0.000 0.315 125 R C -0.220 175.859 176.300 -0.370 0.000 0.952 125 R CA -0.366 55.600 56.100 -0.224 0.000 0.842 125 R CB 0.396 30.626 30.300 -0.117 0.000 1.163 125 R HN 0.306 nan 8.270 nan 0.000 0.450 126 F N 1.113 120.900 119.950 -0.272 0.000 2.559 126 F HA 0.255 4.782 4.527 -0.000 0.000 0.286 126 F C 0.531 176.053 175.800 -0.465 0.000 1.108 126 F CA 0.110 57.845 58.000 -0.442 0.000 1.436 126 F CB 0.430 38.977 39.000 -0.754 0.000 1.130 126 F HN 0.377 nan 8.300 nan 0.000 0.584 127 H N -1.092 118.070 119.070 0.153 0.000 2.572 127 H HA 0.571 5.127 4.556 -0.000 0.000 0.359 127 H C 0.736 176.082 175.328 0.031 0.000 1.134 127 H CA -0.304 55.794 56.048 0.083 0.000 1.187 127 H CB 1.707 31.511 29.762 0.070 0.000 1.597 127 H HN 0.031 nan 8.280 nan 0.000 0.524 128 A N 2.659 125.562 122.820 0.139 0.000 1.874 128 A HA -0.019 4.300 4.320 -0.000 0.000 0.214 128 A C 0.794 178.402 177.584 0.040 0.000 1.189 128 A CA 1.008 53.082 52.037 0.062 0.000 0.615 128 A CB -0.031 18.994 19.000 0.043 0.000 0.830 128 A HN 0.814 nan 8.150 nan 0.000 0.443 129 E N -1.143 119.083 120.200 0.043 0.000 2.404 129 E HA 0.604 4.954 4.350 -0.000 0.000 0.264 129 E C -1.022 175.578 176.600 -0.000 0.000 0.946 129 E CA -0.872 55.532 56.400 0.006 0.000 0.806 129 E CB 1.836 31.528 29.700 -0.014 0.000 1.334 129 E HN 0.381 nan 8.360 nan 0.000 0.429 130 V N -2.662 117.233 119.914 -0.032 0.000 2.638 130 V HA 0.580 4.699 4.120 -0.000 0.000 0.306 130 V C -2.803 173.260 176.094 -0.050 0.000 1.052 130 V CA -2.627 59.636 62.300 -0.061 0.000 0.885 130 V CB 1.361 33.165 31.823 -0.032 0.000 0.999 130 V HN 0.629 nan 8.190 nan 0.000 0.424 131 P HA 0.424 nan 4.420 nan 0.000 0.278 131 P C -0.340 176.962 177.300 0.003 0.000 1.238 131 P CA -0.065 63.022 63.100 -0.023 0.000 0.794 131 P CB 1.720 33.417 31.700 -0.006 0.000 0.955 132 V N 1.266 121.152 119.914 -0.045 0.000 3.046 132 V HA 0.767 4.887 4.120 -0.000 0.000 0.316 132 V C -1.124 174.899 176.094 -0.120 0.000 1.104 132 V CA -1.151 61.086 62.300 -0.105 0.000 1.006 132 V CB 1.635 33.355 31.823 -0.172 0.000 1.058 132 V HN 0.576 nan 8.190 nan 0.000 0.440 133 Y N 0.400 120.515 120.300 -0.308 0.000 2.446 133 Y HA 0.912 5.462 4.550 -0.001 0.000 0.345 133 Y C 0.297 175.932 175.900 -0.442 0.000 0.984 133 Y CA -0.887 56.971 58.100 -0.403 0.000 1.058 133 Y CB 1.430 39.558 38.460 -0.553 0.000 1.220 133 Y HN 1.005 nan 8.280 nan 0.000 0.455 134 G N 1.309 109.785 108.800 -0.540 0.000 2.361 134 G HA2 0.377 4.337 3.960 -0.000 0.000 0.260 134 G HA3 0.377 4.337 3.960 -0.000 0.000 0.260 134 G C -0.816 173.479 174.900 -1.007 0.000 1.261 134 G CA -0.420 43.910 45.100 -1.283 0.000 0.897 134 G HN 0.721 nan 8.290 nan 0.000 0.499 135 S N 1.745 116.928 115.700 -0.861 0.000 2.659 135 S HA 0.819 5.289 4.470 -0.000 0.000 0.312 135 S C 0.476 175.146 174.600 0.116 0.000 1.114 135 S CA 0.249 58.352 58.200 -0.162 0.000 1.063 135 S CB 1.021 64.213 63.200 -0.014 0.000 0.996 135 S HN 1.296 nan 8.310 nan 0.000 0.478 136 G N 2.245 111.114 108.800 0.115 0.000 3.078 136 G HA2 0.504 4.464 3.960 -0.000 0.000 0.131 136 G HA3 0.504 4.464 3.960 -0.000 0.000 0.131 136 G C 0.540 174.950 174.900 -0.817 0.000 1.219 136 G CA 0.276 45.136 45.100 -0.401 0.000 1.319 136 G HN 1.806 nan 8.290 nan 0.000 0.653 137 G N -0.001 108.393 108.800 -0.677 0.000 2.246 137 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.273 137 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.273 137 G C 0.173 174.712 174.900 -0.602 0.000 1.055 137 G CA 0.309 45.148 45.100 -0.435 0.000 0.851 137 G HN 0.842 nan 8.290 nan 0.000 0.500 138 F N 0.105 119.660 119.950 -0.658 0.000 2.589 138 F HA 0.274 4.801 4.527 -0.000 0.000 0.352 138 F C 2.297 177.892 175.800 -0.341 0.000 1.168 138 F CA 0.694 58.395 58.000 -0.499 0.000 1.353 138 F CB 0.260 38.867 39.000 -0.655 0.000 1.116 138 F HN 0.175 nan 8.300 nan 0.000 0.608 139 T N -3.164 111.401 114.554 0.020 0.000 3.007 139 T HA -0.148 4.201 4.350 -0.000 0.000 0.270 139 T C 1.776 176.511 174.700 0.058 0.000 1.107 139 T CA 0.962 63.077 62.100 0.024 0.000 1.118 139 T CB -0.577 68.311 68.868 0.034 0.000 0.889 139 T HN 0.610 nan 8.240 nan 0.000 0.506 140 S N -0.293 115.450 115.700 0.073 0.000 2.489 140 S HA 0.048 4.518 4.470 -0.000 0.000 0.228 140 S C 0.383 175.201 174.600 0.363 0.000 0.995 140 S CA -0.455 57.843 58.200 0.164 0.000 0.934 140 S CB -0.755 62.518 63.200 0.123 0.000 0.771 140 S HN 0.417 nan 8.310 nan 0.000 0.522 141 Y N 3.869 124.240 120.300 0.118 0.000 2.632 141 Y HA 0.368 4.918 4.550 -0.000 0.000 0.329 141 Y C -2.148 173.737 175.900 -0.024 0.000 1.174 141 Y CA -3.026 55.059 58.100 -0.024 0.000 1.469 141 Y CB -0.637 37.762 38.460 -0.101 0.000 1.242 141 Y HN 0.190 nan 8.280 nan 0.000 0.540 142 P HA -0.015 nan 4.420 nan 0.000 0.272 142 P C 0.856 178.152 177.300 -0.006 0.000 1.240 142 P CA -0.420 62.700 63.100 0.032 0.000 0.791 142 P CB 0.892 32.591 31.700 -0.003 0.000 0.978 143 L N 1.117 122.338 121.223 -0.002 0.000 2.043 143 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 143 L C 2.929 179.769 176.870 -0.051 0.000 1.075 143 L CA 2.537 57.370 54.840 -0.012 0.000 0.752 143 L CB -2.027 40.030 42.059 -0.004 0.000 0.891 143 L HN 0.434 nan 8.230 nan 0.000 0.432 144 R N 0.054 120.508 120.500 -0.077 0.000 2.081 144 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 144 R C 2.371 178.566 176.300 -0.175 0.000 1.131 144 R CA 1.835 57.870 56.100 -0.109 0.000 0.960 144 R CB -1.309 28.929 30.300 -0.104 0.000 0.856 144 R HN 0.570 nan 8.270 nan 0.000 0.436 145 R N -0.064 120.284 120.500 -0.252 0.000 2.115 145 R HA 0.022 4.362 4.340 -0.000 0.000 0.226 145 R C 2.272 178.345 176.300 -0.377 0.000 1.100 145 R CA 1.493 57.329 56.100 -0.440 0.000 0.980 145 R CB -0.455 29.403 30.300 -0.737 0.000 0.875 145 R HN 0.384 nan 8.270 nan 0.000 0.445 146 L N 1.216 122.351 121.223 -0.146 0.000 2.017 146 L HA -0.149 4.190 4.340 -0.000 0.000 0.208 146 L C 2.078 178.901 176.870 -0.078 0.000 1.073 146 L CA 1.841 56.693 54.840 0.020 0.000 0.745 146 L CB -0.511 41.588 42.059 0.067 0.000 0.894 146 L HN 0.288 nan 8.230 nan 0.000 0.432 147 Q N -0.549 119.196 119.800 -0.092 0.000 2.124 147 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 147 Q C 2.124 178.043 176.000 -0.136 0.000 0.977 147 Q CA 2.031 57.779 55.803 -0.092 0.000 0.850 147 Q CB -0.170 28.523 28.738 -0.074 0.000 0.901 147 Q HN 0.673 nan 8.270 nan 0.000 0.429 148 E N 0.482 120.570 120.200 -0.187 0.000 2.107 148 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 148 E C 2.007 178.422 176.600 -0.308 0.000 0.982 148 E CA 0.654 56.922 56.400 -0.220 0.000 0.809 148 E CB 0.064 29.625 29.700 -0.231 0.000 0.756 148 E HN 0.300 nan 8.360 nan 0.000 0.459 149 Q N 0.728 120.298 119.800 -0.384 0.000 2.016 149 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 149 Q C 2.248 177.829 176.000 -0.698 0.000 0.978 149 Q CA 1.059 56.483 55.803 -0.631 0.000 0.833 149 Q CB 0.057 28.435 28.738 -0.601 0.000 0.895 149 Q HN 0.262 nan 8.270 nan 0.000 0.427 150 L N -0.223 120.810 121.223 -0.316 0.000 2.017 150 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 150 L C 2.490 179.352 176.870 -0.013 0.000 1.073 150 L CA 1.316 56.136 54.840 -0.034 0.000 0.745 150 L CB -1.052 41.029 42.059 0.037 0.000 0.894 150 L HN 0.459 nan 8.230 nan 0.000 0.432 151 G N -0.158 108.595 108.800 -0.079 0.000 2.418 151 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 151 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 151 G C 1.578 176.446 174.900 -0.054 0.000 1.158 151 G CA 0.780 45.850 45.100 -0.049 0.000 0.771 151 G HN 0.487 nan 8.290 nan 0.000 0.545 152 G N 0.109 108.820 108.800 -0.147 0.000 2.446 152 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 152 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 152 G C 1.601 176.481 174.900 -0.032 0.000 1.168 152 G CA 0.985 45.993 45.100 -0.154 0.000 0.771 152 G HN 0.390 nan 8.290 nan 0.000 0.551 153 W N 1.073 122.359 121.300 -0.023 0.000 2.363 153 W HA 0.114 4.774 4.660 -0.000 0.000 0.296 153 W C 2.920 179.415 176.519 -0.041 0.000 1.212 153 W CA 0.855 58.182 57.345 -0.030 0.000 1.260 153 W CB -1.035 28.415 29.460 -0.016 0.000 1.131 153 W HN 0.351 nan 8.180 nan 0.000 0.530 154 A N 0.551 123.482 122.820 0.186 0.000 1.898 154 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 154 A C 2.243 179.858 177.584 0.053 0.000 1.181 154 A CA 2.563 54.656 52.037 0.093 0.000 0.620 154 A CB -1.126 17.910 19.000 0.060 0.000 0.819 154 A HN 0.103 nan 8.150 nan 0.000 0.442 155 A N -0.119 122.724 122.820 0.039 0.000 1.978 155 A HA 0.141 4.461 4.320 -0.000 0.000 0.220 155 A C 2.252 179.849 177.584 0.022 0.000 1.170 155 A CA 1.879 53.926 52.037 0.018 0.000 0.636 155 A CB -0.835 18.165 19.000 -0.001 0.000 0.810 155 A HN 1.148 nan 8.150 nan 0.000 0.448 156 A N -1.684 121.161 122.820 0.043 0.000 2.252 156 A HA 0.392 4.711 4.320 -0.000 0.000 0.207 156 A C 1.794 179.386 177.584 0.014 0.000 1.194 156 A CA 1.199 53.257 52.037 0.035 0.000 0.809 156 A CB -1.156 17.884 19.000 0.067 0.000 0.814 156 A HN 1.927 nan 8.150 nan 0.000 0.482 157 G N -0.924 107.885 108.800 0.015 0.000 2.143 157 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.249 157 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.249 157 G C 0.097 174.987 174.900 -0.016 0.000 0.981 157 G CA 0.254 45.353 45.100 -0.002 0.000 0.665 157 G HN 0.535 nan 8.290 nan 0.000 0.528 158 I N 1.982 122.546 120.570 -0.010 0.000 2.308 158 I HA 0.222 4.392 4.170 -0.000 0.000 0.293 158 I C -1.014 175.092 176.117 -0.019 0.000 1.078 158 I CA -1.989 59.282 61.300 -0.048 0.000 1.292 158 I CB 1.304 39.241 38.000 -0.105 0.000 1.423 158 I HN -0.083 nan 8.210 nan 0.000 0.493 159 P HA 0.131 nan 4.420 nan 0.000 0.256 159 P C -0.295 176.988 177.300 -0.028 0.000 1.384 159 P CA 0.144 63.234 63.100 -0.016 0.000 0.879 159 P CB 0.231 31.922 31.700 -0.015 0.000 1.403 160 R N -0.026 120.446 120.500 -0.046 0.000 2.522 160 R HA 0.520 4.859 4.340 -0.000 0.000 0.283 160 R C -0.989 175.266 176.300 -0.075 0.000 1.074 160 R CA -0.809 55.239 56.100 -0.088 0.000 0.925 160 R CB 2.700 32.917 30.300 -0.138 0.000 1.205 160 R HN -0.157 nan 8.270 nan 0.000 0.436 161 V N -1.014 118.857 119.914 -0.072 0.000 2.789 161 V HA 0.665 4.785 4.120 -0.000 0.000 0.311 161 V C -0.805 175.246 176.094 -0.073 0.000 1.073 161 V CA -0.967 61.328 62.300 -0.008 0.000 0.921 161 V CB 2.180 34.099 31.823 0.160 0.000 1.009 161 V HN 0.686 nan 8.190 nan 0.000 0.426 162 K N 4.372 124.765 120.400 -0.012 0.000 2.259 162 K HA 0.850 5.170 4.320 -0.000 0.000 0.252 162 K C -0.667 175.932 176.600 -0.001 0.000 0.936 162 K CA -0.858 55.395 56.287 -0.055 0.000 0.810 162 K CB 1.949 34.403 32.500 -0.076 0.000 1.143 162 K HN 1.027 nan 8.250 nan 0.000 0.427 163 M N 1.002 120.566 119.600 -0.060 0.000 2.690 163 M HA 0.571 5.051 4.480 -0.000 0.000 0.302 163 M C -1.080 175.147 176.300 -0.120 0.000 1.234 163 M CA -1.108 54.127 55.300 -0.108 0.000 0.853 163 M CB 1.793 34.331 32.600 -0.103 0.000 1.748 163 M HN 0.111 nan 8.290 nan 0.000 0.469 164 K N 1.927 122.240 120.400 -0.145 0.000 2.174 164 K HA 0.691 5.011 4.320 -0.000 0.000 0.275 164 K C -0.451 176.087 176.600 -0.104 0.000 1.015 164 K CA -0.496 55.740 56.287 -0.084 0.000 0.933 164 K CB 1.770 34.258 32.500 -0.020 0.000 1.025 164 K HN 0.761 nan 8.250 nan 0.000 0.463 165 V N -3.209 116.645 119.914 -0.100 0.000 3.160 165 V HA 0.858 4.978 4.120 -0.000 0.000 0.310 165 V C 0.715 176.748 176.094 -0.102 0.000 1.181 165 V CA -0.135 62.105 62.300 -0.100 0.000 1.047 165 V CB 1.471 33.215 31.823 -0.132 0.000 1.068 165 V HN 0.854 nan 8.190 nan 0.000 0.441 166 G N 0.991 109.744 108.800 -0.079 0.000 2.213 166 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.226 166 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.226 166 G C 0.962 175.815 174.900 -0.077 0.000 0.992 166 G CA 0.810 45.813 45.100 -0.161 0.000 0.632 166 G HN 1.061 nan 8.290 nan 0.000 0.511 167 R N 0.697 121.177 120.500 -0.034 0.000 2.062 167 R HA 0.144 4.484 4.340 -0.000 0.000 0.229 167 R C 0.557 176.875 176.300 0.030 0.000 1.128 167 R CA 1.446 57.550 56.100 0.007 0.000 0.960 167 R CB 0.008 30.322 30.300 0.024 0.000 0.855 167 R HN 0.412 nan 8.270 nan 0.000 0.432 168 E N -0.058 120.159 120.200 0.028 0.000 2.683 168 E HA 0.158 4.507 4.350 -0.000 0.000 0.224 168 E C -2.180 174.445 176.600 0.041 0.000 1.046 168 E CA -1.917 54.511 56.400 0.046 0.000 0.811 168 E CB 1.895 31.624 29.700 0.047 0.000 1.296 168 E HN 0.192 nan 8.360 nan 0.000 0.421 169 P HA -0.256 nan 4.420 nan 0.000 0.216 169 P C 1.273 178.630 177.300 0.095 0.000 1.150 169 P CA 0.987 64.079 63.100 -0.013 0.000 0.843 169 P CB 0.345 32.141 31.700 0.159 0.000 0.787 170 E N 0.445 120.745 120.200 0.167 0.000 2.160 170 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 170 E C 1.396 178.086 176.600 0.150 0.000 0.991 170 E CA 1.409 57.918 56.400 0.182 0.000 0.810 170 E CB -0.118 29.658 29.700 0.128 0.000 0.742 170 E HN 0.246 nan 8.360 nan 0.000 0.466 171 K N 0.072 120.533 120.400 0.102 0.000 2.361 171 K HA -0.025 4.295 4.320 -0.000 0.000 0.196 171 K C 1.608 178.265 176.600 0.095 0.000 1.039 171 K CA 0.618 56.958 56.287 0.089 0.000 1.001 171 K CB 0.243 32.782 32.500 0.065 0.000 0.795 171 K HN 0.035 nan 8.250 nan 0.000 0.495 172 D N 0.821 121.270 120.400 0.082 0.000 2.144 172 D HA -0.081 4.559 4.640 -0.000 0.000 0.199 172 D C -1.075 175.368 176.300 0.238 0.000 0.984 172 D CA 1.021 55.082 54.000 0.103 0.000 0.834 172 D CB -1.223 39.599 40.800 0.038 0.000 0.955 172 D HN 0.087 nan 8.370 nan 0.000 0.465 173 P HA -0.160 nan 4.420 nan 0.000 0.215 173 P C 1.363 178.785 177.300 0.204 0.000 1.157 173 P CA 1.592 64.897 63.100 0.340 0.000 0.874 173 P CB -0.172 31.729 31.700 0.336 0.000 0.790 174 E N -0.236 120.053 120.200 0.149 0.000 2.208 174 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 174 E C 2.043 178.686 176.600 0.072 0.000 0.988 174 E CA 0.605 57.064 56.400 0.098 0.000 0.828 174 E CB -0.545 29.201 29.700 0.078 0.000 0.763 174 E HN 0.137 nan 8.360 nan 0.000 0.478 175 R N 0.935 121.476 120.500 0.068 0.000 2.081 175 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 175 R C 2.722 179.028 176.300 0.010 0.000 1.131 175 R CA 1.751 57.869 56.100 0.030 0.000 0.960 175 R CB -0.442 29.866 30.300 0.014 0.000 0.856 175 R HN 0.315 nan 8.270 nan 0.000 0.436 176 V N -1.278 118.648 119.914 0.020 0.000 2.453 176 V HA -0.131 3.989 4.120 -0.000 0.000 0.247 176 V C 2.055 178.167 176.094 0.029 0.000 1.048 176 V CA 1.286 63.579 62.300 -0.012 0.000 1.049 176 V CB -0.572 31.226 31.823 -0.043 0.000 0.672 176 V HN 0.168 nan 8.190 nan 0.000 0.457 177 R N 1.020 121.559 120.500 0.066 0.000 2.091 177 R HA -0.045 4.294 4.340 -0.000 0.000 0.238 177 R C 2.582 178.900 176.300 0.031 0.000 1.136 177 R CA 1.655 57.788 56.100 0.056 0.000 0.959 177 R CB -0.755 29.587 30.300 0.070 0.000 0.856 177 R HN 0.629 nan 8.270 nan 0.000 0.437 178 A N 1.116 123.951 122.820 0.025 0.000 1.902 178 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 178 A C 2.350 179.933 177.584 -0.002 0.000 1.181 178 A CA 1.688 53.731 52.037 0.010 0.000 0.623 178 A CB -0.560 18.445 19.000 0.007 0.000 0.818 178 A HN 0.410 nan 8.150 nan 0.000 0.443 179 A N -0.257 122.560 122.820 -0.005 0.000 1.898 179 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 179 A C 2.171 179.753 177.584 -0.004 0.000 1.181 179 A CA 2.043 54.073 52.037 -0.011 0.000 0.620 179 A CB -0.418 18.567 19.000 -0.024 0.000 0.819 179 A HN 0.446 nan 8.150 nan 0.000 0.442 180 R N 0.343 120.844 120.500 0.002 0.000 2.096 180 R HA -0.115 4.224 4.340 -0.000 0.000 0.235 180 R C 2.047 178.350 176.300 0.006 0.000 1.127 180 R CA 1.901 58.005 56.100 0.007 0.000 0.968 180 R CB -0.499 29.811 30.300 0.016 0.000 0.861 180 R HN 0.580 nan 8.270 nan 0.000 0.440 181 E N 0.225 120.428 120.200 0.005 0.000 2.047 181 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 181 E C 1.664 178.261 176.600 -0.004 0.000 0.987 181 E CA 1.460 57.861 56.400 0.002 0.000 0.799 181 E CB -0.229 29.472 29.700 0.002 0.000 0.752 181 E HN 0.366 nan 8.360 nan 0.000 0.449 182 A N 1.505 124.319 122.820 -0.010 0.000 1.978 182 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 182 A C 2.267 179.846 177.584 -0.008 0.000 1.170 182 A CA 1.856 53.883 52.037 -0.017 0.000 0.636 182 A CB -0.657 18.326 19.000 -0.028 0.000 0.810 182 A HN 0.523 nan 8.150 nan 0.000 0.448 183 I N -5.371 115.199 120.570 0.001 0.000 3.939 183 I HA 0.516 4.686 4.170 -0.000 0.000 0.313 183 I C 0.964 177.086 176.117 0.007 0.000 1.274 183 I CA 0.371 61.677 61.300 0.009 0.000 1.301 183 I CB -0.232 37.780 38.000 0.020 0.000 1.105 183 I HN 0.467 nan 8.210 nan 0.000 0.427 184 G N 2.279 111.082 108.800 0.005 0.000 2.756 184 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.678 184 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.678 184 G C 0.017 174.921 174.900 0.006 0.000 1.349 184 G CA -0.058 45.045 45.100 0.005 0.000 0.847 184 G HN 0.287 nan 8.290 nan 0.000 0.548 185 E N -0.225 119.978 120.200 0.006 0.000 2.516 185 E HA 0.012 4.361 4.350 -0.000 0.000 0.199 185 E C 2.184 178.786 176.600 0.005 0.000 1.069 185 E CA 1.207 57.611 56.400 0.006 0.000 0.876 185 E CB -0.011 29.693 29.700 0.007 0.000 0.843 185 E HN 0.874 nan 8.360 nan 0.000 0.530 186 S N -1.166 114.536 115.700 0.004 0.000 2.629 186 S HA 0.197 4.667 4.470 -0.000 0.000 0.236 186 S C 0.493 175.093 174.600 0.001 0.000 1.010 186 S CA -0.500 57.702 58.200 0.002 0.000 0.981 186 S CB 0.439 63.640 63.200 0.002 0.000 0.919 186 S HN -0.114 nan 8.310 nan 0.000 0.514 187 V N 2.504 122.418 119.914 0.001 0.000 2.427 187 V HA 0.372 4.491 4.120 -0.000 0.000 0.286 187 V C 0.218 176.305 176.094 -0.011 0.000 1.034 187 V CA -0.780 61.519 62.300 -0.002 0.000 0.893 187 V CB 1.525 33.354 31.823 0.010 0.000 0.982 187 V HN 0.480 nan 8.190 nan 0.000 0.452 188 E N 3.420 123.605 120.200 -0.025 0.000 2.366 188 E HA 0.172 4.521 4.350 -0.000 0.000 0.266 188 E C -1.118 175.446 176.600 -0.061 0.000 1.015 188 E CA -0.529 55.847 56.400 -0.041 0.000 0.906 188 E CB 0.964 30.628 29.700 -0.059 0.000 0.979 188 E HN 0.478 nan 8.360 nan 0.000 0.443 189 L N 6.041 127.236 121.223 -0.048 0.000 2.287 189 L HA 0.387 4.727 4.340 -0.000 0.000 0.287 189 L C -0.993 175.831 176.870 -0.077 0.000 1.022 189 L CA -0.124 54.680 54.840 -0.060 0.000 0.814 189 L CB 1.110 43.146 42.059 -0.037 0.000 1.217 189 L HN 0.608 nan 8.230 nan 0.000 0.420 190 M N 5.941 125.461 119.600 -0.132 0.000 2.436 190 M HA 0.671 5.151 4.480 -0.000 0.000 0.331 190 M C -0.620 175.633 176.300 -0.078 0.000 1.135 190 M CA -0.984 54.243 55.300 -0.122 0.000 0.987 190 M CB 2.108 34.437 32.600 -0.451 0.000 1.687 190 M HN 0.440 nan 8.290 nan 0.000 0.445 191 V N -1.566 118.351 119.914 0.004 0.000 2.815 191 V HA 0.793 4.913 4.120 -0.000 0.000 0.314 191 V C -1.520 174.599 176.094 0.042 0.000 1.064 191 V CA -0.505 61.763 62.300 -0.052 0.000 0.952 191 V CB 2.074 33.765 31.823 -0.220 0.000 1.020 191 V HN 0.848 nan 8.190 nan 0.000 0.439 192 D N 2.247 122.650 120.400 0.005 0.000 2.696 192 D HA 0.749 5.389 4.640 -0.000 0.000 0.251 192 D C 0.291 176.582 176.300 -0.014 0.000 1.188 192 D CA 0.080 54.101 54.000 0.034 0.000 0.876 192 D CB 2.236 43.075 40.800 0.065 0.000 1.334 192 D HN 0.860 nan 8.370 nan 0.000 0.540 193 A N 3.570 126.365 122.820 -0.041 0.000 2.252 193 A HA 0.145 4.465 4.320 -0.000 0.000 0.213 193 A C 0.780 178.279 177.584 -0.142 0.000 1.188 193 A CA -0.102 51.824 52.037 -0.184 0.000 0.863 193 A CB -0.261 18.523 19.000 -0.360 0.000 0.893 193 A HN 0.737 nan 8.150 nan 0.000 0.495 194 N N -0.486 118.193 118.700 -0.035 0.000 2.714 194 N HA -0.219 4.521 4.740 -0.000 0.000 0.252 194 N C 0.830 176.337 175.510 -0.004 0.000 1.014 194 N CA 1.124 54.185 53.050 0.018 0.000 0.735 194 N CB -1.471 37.054 38.487 0.063 0.000 0.924 194 N HN 1.337 nan 8.380 nan 0.000 0.540 195 G N -1.439 107.344 108.800 -0.029 0.000 2.179 195 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.257 195 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.257 195 G C 1.016 175.881 174.900 -0.058 0.000 1.010 195 G CA 0.880 45.970 45.100 -0.017 0.000 0.736 195 G HN 0.883 nan 8.290 nan 0.000 0.513 196 A N -1.407 121.294 122.820 -0.198 0.000 2.066 196 A HA 0.474 4.794 4.320 -0.000 0.000 0.218 196 A C 0.879 178.407 177.584 -0.094 0.000 1.157 196 A CA 1.039 52.946 52.037 -0.217 0.000 0.670 196 A CB -0.045 18.734 19.000 -0.368 0.000 0.804 196 A HN 0.641 nan 8.150 nan 0.000 0.453 197 Y N 0.202 120.557 120.300 0.091 0.000 2.419 197 Y HA 0.458 5.007 4.550 -0.000 0.000 0.328 197 Y C 1.263 177.220 175.900 0.095 0.000 1.162 197 Y CA -1.251 56.919 58.100 0.116 0.000 1.174 197 Y CB 0.492 39.051 38.460 0.166 0.000 1.228 197 Y HN 0.144 nan 8.280 nan 0.000 0.473 198 T N -1.599 113.121 114.554 0.276 0.000 2.754 198 T HA 0.281 4.631 4.350 -0.000 0.000 0.286 198 T C 1.201 175.997 174.700 0.160 0.000 0.997 198 T CA -0.532 61.668 62.100 0.167 0.000 0.982 198 T CB 0.775 69.713 68.868 0.116 0.000 1.027 198 T HN 0.681 nan 8.240 nan 0.000 0.529 199 R N 0.356 120.919 120.500 0.104 0.000 2.082 199 R HA -0.055 4.285 4.340 -0.000 0.000 0.234 199 R C 2.531 178.870 176.300 0.064 0.000 1.136 199 R CA 1.308 57.458 56.100 0.082 0.000 0.935 199 R CB -0.218 30.114 30.300 0.052 0.000 0.842 199 R HN 0.500 nan 8.270 nan 0.000 0.430 200 K N 0.782 121.207 120.400 0.042 0.000 2.217 200 K HA -0.130 4.190 4.320 -0.000 0.000 0.202 200 K C 2.002 178.605 176.600 0.004 0.000 1.051 200 K CA 0.954 57.250 56.287 0.015 0.000 0.952 200 K CB -0.057 32.442 32.500 -0.002 0.000 0.736 200 K HN 0.326 nan 8.250 nan 0.000 0.453 201 Q N 0.331 120.148 119.800 0.027 0.000 2.050 201 Q HA -0.104 4.235 4.340 -0.000 0.000 0.202 201 Q C 1.971 177.930 176.000 -0.069 0.000 0.980 201 Q CA 1.556 57.364 55.803 0.008 0.000 0.840 201 Q CB -0.032 28.781 28.738 0.125 0.000 0.898 201 Q HN 0.274 nan 8.270 nan 0.000 0.424 202 A N 0.636 123.454 122.820 -0.002 0.000 1.902 202 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 202 A C 1.973 179.563 177.584 0.011 0.000 1.181 202 A CA 1.284 53.335 52.037 0.023 0.000 0.623 202 A CB -0.774 18.378 19.000 0.255 0.000 0.818 202 A HN 0.465 nan 8.150 nan 0.000 0.443 203 L N -1.413 119.814 121.223 0.007 0.000 2.042 203 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 203 L C 2.313 179.124 176.870 -0.099 0.000 1.076 203 L CA 2.486 57.311 54.840 -0.025 0.000 0.749 203 L CB -0.965 41.085 42.059 -0.014 0.000 0.893 203 L HN 0.556 nan 8.230 nan 0.000 0.432 204 Y N -1.293 118.853 120.300 -0.256 0.000 2.128 204 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 204 Y C 2.039 177.613 175.900 -0.543 0.000 1.154 204 Y CA 2.106 59.945 58.100 -0.435 0.000 1.149 204 Y CB -0.710 37.394 38.460 -0.594 0.000 0.976 204 Y HN 0.248 nan 8.280 nan 0.000 0.505 205 W N -0.162 120.865 121.300 -0.454 0.000 2.418 205 W HA -0.030 4.630 4.660 -0.000 0.000 0.292 205 W C 2.686 178.923 176.519 -0.470 0.000 1.213 205 W CA 1.300 58.217 57.345 -0.714 0.000 1.283 205 W CB -0.618 28.373 29.460 -0.782 0.000 1.119 205 W HN 0.153 nan 8.180 nan 0.000 0.542 206 A N 0.721 123.543 122.820 0.003 0.000 1.892 206 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 206 A C 2.216 179.786 177.584 -0.023 0.000 1.188 206 A CA 2.257 54.341 52.037 0.079 0.000 0.631 206 A CB -1.504 17.525 19.000 0.049 0.000 0.822 206 A HN 0.332 nan 8.150 nan 0.000 0.447 207 G N -0.982 107.704 108.800 -0.190 0.000 2.394 207 G HA2 0.093 4.053 3.960 -0.000 0.000 0.214 207 G HA3 0.093 4.053 3.960 -0.000 0.000 0.214 207 G C 1.786 176.526 174.900 -0.268 0.000 1.176 207 G CA 1.375 46.345 45.100 -0.216 0.000 0.786 207 G HN 0.811 nan 8.290 nan 0.000 0.533 208 A N 0.766 123.261 122.820 -0.541 0.000 1.865 208 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 208 A C 2.171 179.704 177.584 -0.085 0.000 1.191 208 A CA 1.708 53.443 52.037 -0.504 0.000 0.623 208 A CB -0.674 17.699 19.000 -1.046 0.000 0.826 208 A HN 0.255 nan 8.150 nan 0.000 0.444 209 F N 0.192 120.186 119.950 0.074 0.000 2.134 209 F HA -0.076 4.450 4.527 -0.000 0.000 0.299 209 F C 2.848 178.675 175.800 0.046 0.000 1.097 209 F CA 0.364 58.432 58.000 0.114 0.000 1.264 209 F CB -1.171 37.920 39.000 0.151 0.000 1.001 209 F HN 0.274 nan 8.300 nan 0.000 0.479 210 A N 0.401 123.335 122.820 0.190 0.000 1.892 210 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 210 A C 2.415 180.038 177.584 0.064 0.000 1.188 210 A CA 2.031 54.126 52.037 0.096 0.000 0.631 210 A CB -0.721 18.306 19.000 0.044 0.000 0.822 210 A HN 0.344 nan 8.150 nan 0.000 0.447 211 R N -0.804 119.715 120.500 0.032 0.000 2.066 211 R HA -0.087 4.252 4.340 -0.000 0.000 0.232 211 R C 2.212 178.542 176.300 0.050 0.000 1.131 211 R CA 1.532 57.642 56.100 0.017 0.000 0.955 211 R CB -0.331 29.953 30.300 -0.026 0.000 0.851 211 R HN 0.669 nan 8.270 nan 0.000 0.432 212 E N -0.154 120.101 120.200 0.092 0.000 2.106 212 E HA -0.098 4.251 4.350 -0.000 0.000 0.192 212 E C 1.000 177.668 176.600 0.113 0.000 0.984 212 E CA 1.379 57.852 56.400 0.123 0.000 0.806 212 E CB 0.220 30.047 29.700 0.213 0.000 0.750 212 E HN 0.360 nan 8.360 nan 0.000 0.458 213 A N -1.026 121.866 122.820 0.120 0.000 2.665 213 A HA 0.449 4.768 4.320 -0.000 0.000 0.268 213 A C 0.937 178.557 177.584 0.060 0.000 1.044 213 A CA 0.237 52.322 52.037 0.079 0.000 0.993 213 A CB 0.402 19.443 19.000 0.068 0.000 1.229 213 A HN 0.196 nan 8.150 nan 0.000 0.576 214 G N 1.300 110.139 108.800 0.066 0.000 2.295 214 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.287 214 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.287 214 G C 0.249 175.177 174.900 0.046 0.000 1.055 214 G CA 0.442 45.571 45.100 0.048 0.000 0.922 214 G HN 1.708 nan 8.290 nan 0.000 0.503 215 I N -2.623 117.987 120.570 0.066 0.000 2.882 215 I HA 0.653 4.823 4.170 -0.000 0.000 0.286 215 I C 0.965 177.119 176.117 0.061 0.000 1.139 215 I CA 0.209 61.540 61.300 0.052 0.000 1.379 215 I CB 1.216 39.251 38.000 0.058 0.000 1.410 215 I HN -0.051 nan 8.210 nan 0.000 0.594 216 S N 2.489 118.227 115.700 0.064 0.000 2.603 216 S HA 0.253 4.722 4.470 -0.000 0.000 0.232 216 S C -0.553 174.140 174.600 0.155 0.000 1.016 216 S CA -0.084 58.165 58.200 0.082 0.000 0.976 216 S CB -0.088 63.147 63.200 0.058 0.000 0.921 216 S HN 0.723 nan 8.310 nan 0.000 0.516 217 Y N 1.069 121.349 120.300 -0.035 0.000 2.390 217 Y HA 0.542 5.092 4.550 -0.000 0.000 0.324 217 Y C -2.228 173.654 175.900 -0.030 0.000 1.151 217 Y CA -1.201 56.869 58.100 -0.050 0.000 1.053 217 Y CB 1.137 39.527 38.460 -0.118 0.000 1.277 217 Y HN 0.035 nan 8.280 nan 0.000 0.432 218 L N 6.462 127.598 121.223 -0.144 0.000 2.377 218 L HA 0.514 4.854 4.340 -0.000 0.000 0.270 218 L C -1.058 175.702 176.870 -0.184 0.000 0.991 218 L CA -0.376 54.439 54.840 -0.042 0.000 0.851 218 L CB 1.421 43.520 42.059 0.067 0.000 1.218 218 L HN 0.727 nan 8.230 nan 0.000 0.420 219 E N 3.641 123.784 120.200 -0.094 0.000 2.216 219 E HA 0.254 4.603 4.350 -0.000 0.000 0.279 219 E C -0.511 176.077 176.600 -0.021 0.000 0.997 219 E CA -0.251 56.090 56.400 -0.099 0.000 0.817 219 E CB 0.686 30.424 29.700 0.063 0.000 1.096 219 E HN 0.675 nan 8.360 nan 0.000 0.393 220 E N 2.567 122.746 120.200 -0.035 0.000 2.228 220 E HA -0.182 4.168 4.350 -0.000 0.000 0.213 220 E C -1.917 174.699 176.600 0.026 0.000 1.282 220 E CA 0.064 56.464 56.400 -0.000 0.000 0.707 220 E CB -0.474 29.230 29.700 0.007 0.000 1.150 220 E HN 0.529 nan 8.360 nan 0.000 0.362 221 P HA -0.118 nan 4.420 nan 0.000 0.217 221 P C 0.805 178.208 177.300 0.172 0.000 1.150 221 P CA 1.553 64.768 63.100 0.191 0.000 0.832 221 P CB 0.073 31.919 31.700 0.243 0.000 0.787 222 V N -4.078 115.904 119.914 0.114 0.000 3.166 222 V HA 0.596 4.716 4.120 -0.000 0.000 0.317 222 V C 0.318 176.449 176.094 0.060 0.000 1.136 222 V CA -1.382 60.977 62.300 0.099 0.000 1.035 222 V CB 0.969 32.851 31.823 0.097 0.000 1.110 222 V HN 0.000 nan 8.190 nan 0.000 0.450 223 S N 0.979 116.711 115.700 0.052 0.000 2.593 223 S HA 0.212 4.682 4.470 -0.000 0.000 0.300 223 S C 1.523 176.151 174.600 0.048 0.000 1.267 223 S CA 0.404 58.629 58.200 0.042 0.000 1.065 223 S CB -0.001 63.216 63.200 0.029 0.000 0.807 223 S HN 1.877 nan 8.310 nan 0.000 0.499 224 S N 3.439 119.181 115.700 0.069 0.000 2.515 224 S HA 0.037 4.507 4.470 -0.000 0.000 0.231 224 S C 1.619 176.249 174.600 0.049 0.000 0.987 224 S CA 0.504 58.743 58.200 0.066 0.000 0.936 224 S CB -0.245 63.021 63.200 0.110 0.000 0.766 224 S HN 0.850 nan 8.310 nan 0.000 0.528 225 E N 0.843 121.070 120.200 0.045 0.000 2.347 225 E HA -0.093 4.257 4.350 -0.000 0.000 0.196 225 E C -0.181 176.430 176.600 0.019 0.000 1.008 225 E CA 0.294 56.711 56.400 0.028 0.000 0.852 225 E CB -0.031 29.686 29.700 0.029 0.000 0.783 225 E HN 0.560 nan 8.360 nan 0.000 0.505 226 D N 0.606 121.020 120.400 0.023 0.000 2.558 226 D HA 0.042 4.682 4.640 -0.000 0.000 0.221 226 D C 0.929 177.238 176.300 0.014 0.000 1.143 226 D CA -0.060 53.953 54.000 0.021 0.000 1.010 226 D CB -0.043 40.776 40.800 0.031 0.000 1.068 226 D HN -0.047 nan 8.370 nan 0.000 0.511 227 R N 1.403 121.905 120.500 0.003 0.000 2.092 227 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 227 R C 1.649 177.947 176.300 -0.003 0.000 1.119 227 R CA 1.014 57.110 56.100 -0.007 0.000 0.970 227 R CB 0.014 30.303 30.300 -0.019 0.000 0.864 227 R HN 0.307 nan 8.270 nan 0.000 0.440 228 E N 0.947 121.149 120.200 0.003 0.000 2.110 228 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 228 E C 1.983 178.589 176.600 0.011 0.000 0.988 228 E CA 1.654 58.057 56.400 0.005 0.000 0.804 228 E CB -0.426 29.279 29.700 0.008 0.000 0.745 228 E HN 0.306 nan 8.360 nan 0.000 0.458 229 G N 0.784 109.595 108.800 0.018 0.000 2.418 229 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.217 229 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.217 229 G C 1.616 176.531 174.900 0.025 0.000 1.158 229 G CA 0.916 46.033 45.100 0.028 0.000 0.771 229 G HN 0.305 nan 8.290 nan 0.000 0.545 230 L N -0.491 120.741 121.223 0.015 0.000 2.056 230 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 230 L C 2.970 179.837 176.870 -0.006 0.000 1.078 230 L CA 1.159 56.001 54.840 0.004 0.000 0.749 230 L CB -0.305 41.748 42.059 -0.011 0.000 0.901 230 L HN 0.175 nan 8.230 nan 0.000 0.433 231 R N 0.140 120.636 120.500 -0.007 0.000 2.075 231 R HA -0.200 4.140 4.340 -0.000 0.000 0.232 231 R C 2.318 178.615 176.300 -0.005 0.000 1.126 231 R CA 1.307 57.401 56.100 -0.010 0.000 0.963 231 R CB -0.243 30.051 30.300 -0.010 0.000 0.858 231 R HN 0.202 nan 8.270 nan 0.000 0.435 232 L N 0.665 121.889 121.223 0.002 0.000 2.012 232 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 232 L C 1.842 178.715 176.870 0.004 0.000 1.073 232 L CA 1.738 56.580 54.840 0.004 0.000 0.748 232 L CB -0.289 41.776 42.059 0.011 0.000 0.891 232 L HN 0.209 nan 8.230 nan 0.000 0.431 233 L N -0.697 120.532 121.223 0.009 0.000 2.156 233 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 233 L C 2.803 179.671 176.870 -0.004 0.000 1.095 233 L CA 0.835 55.681 54.840 0.010 0.000 0.770 233 L CB -0.624 41.450 42.059 0.026 0.000 0.914 233 L HN 0.282 nan 8.230 nan 0.000 0.439 234 R N 0.484 120.977 120.500 -0.011 0.000 2.080 234 R HA -0.188 4.152 4.340 -0.000 0.000 0.236 234 R C 1.638 177.929 176.300 -0.014 0.000 1.137 234 R CA 2.110 58.199 56.100 -0.020 0.000 0.943 234 R CB -0.479 29.807 30.300 -0.024 0.000 0.846 234 R HN 0.362 nan 8.270 nan 0.000 0.431 235 D N -0.358 120.036 120.400 -0.010 0.000 2.183 235 D HA -0.092 4.548 4.640 -0.000 0.000 0.203 235 D C 1.824 178.119 176.300 -0.010 0.000 0.969 235 D CA 0.875 54.870 54.000 -0.009 0.000 0.842 235 D CB 0.044 40.840 40.800 -0.007 0.000 0.957 235 D HN 0.123 nan 8.370 nan 0.000 0.484 236 R N 0.172 120.667 120.500 -0.009 0.000 2.344 236 R HA 0.217 4.557 4.340 -0.000 0.000 0.209 236 R C 1.126 177.417 176.300 -0.015 0.000 0.886 236 R CA 0.001 56.094 56.100 -0.012 0.000 1.040 236 R CB 0.139 30.433 30.300 -0.011 0.000 1.114 236 R HN 0.025 nan 8.270 nan 0.000 0.547 237 G N 2.827 111.620 108.800 -0.012 0.000 2.664 237 G HA2 0.229 4.189 3.960 -0.000 0.000 0.242 237 G HA3 0.229 4.189 3.960 -0.000 0.000 0.242 237 G C -2.246 172.645 174.900 -0.014 0.000 1.225 237 G CA -0.578 44.514 45.100 -0.012 0.000 0.849 237 G HN -0.029 nan 8.290 nan 0.000 0.581 238 P HA 0.251 nan 4.420 nan 0.000 0.269 238 P C 0.615 177.912 177.300 -0.005 0.000 1.209 238 P CA -0.098 62.994 63.100 -0.013 0.000 0.776 238 P CB 0.530 32.223 31.700 -0.012 0.000 0.876 239 G N 0.509 109.306 108.800 -0.005 0.000 2.491 239 G HA2 0.346 4.306 3.960 -0.000 0.000 0.238 239 G HA3 0.346 4.306 3.960 -0.000 0.000 0.238 239 G C 1.001 175.904 174.900 0.004 0.000 1.277 239 G CA 0.119 45.218 45.100 -0.002 0.000 0.851 239 G HN 0.895 nan 8.290 nan 0.000 0.573 240 G N -0.443 108.361 108.800 0.007 0.000 2.184 240 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.264 240 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.264 240 G C 0.266 175.181 174.900 0.025 0.000 0.975 240 G CA 0.454 45.563 45.100 0.016 0.000 0.642 240 G HN 1.400 nan 8.290 nan 0.000 0.536 241 V N 1.508 121.434 119.914 0.020 0.000 2.311 241 V HA 0.726 4.846 4.120 -0.000 0.000 0.275 241 V C 0.788 176.879 176.094 -0.006 0.000 1.022 241 V CA -0.425 61.891 62.300 0.027 0.000 0.830 241 V CB 1.063 32.910 31.823 0.040 0.000 1.012 241 V HN 1.021 nan 8.190 nan 0.000 0.452 242 A N 6.834 129.645 122.820 -0.015 0.000 2.409 242 A HA 0.583 4.902 4.320 -0.000 0.000 0.262 242 A C -0.062 177.388 177.584 -0.223 0.000 1.113 242 A CA -0.293 51.691 52.037 -0.089 0.000 0.790 242 A CB 0.020 18.991 19.000 -0.048 0.000 1.046 242 A HN 0.631 nan 8.150 nan 0.000 0.496 243 I N 2.303 122.768 120.570 -0.176 0.000 2.337 243 I HA 0.406 4.576 4.170 -0.000 0.000 0.291 243 I C 0.710 176.669 176.117 -0.265 0.000 1.046 243 I CA 0.268 61.453 61.300 -0.192 0.000 1.324 243 I CB 0.300 38.244 38.000 -0.093 0.000 1.409 243 I HN 0.686 nan 8.210 nan 0.000 0.494 244 A N 5.588 128.174 122.820 -0.389 0.000 2.374 244 A HA 0.991 5.310 4.320 -0.000 0.000 0.317 244 A C -0.495 176.970 177.584 -0.198 0.000 1.094 244 A CA -0.371 51.456 52.037 -0.350 0.000 0.765 244 A CB 1.891 20.522 19.000 -0.614 0.000 1.268 244 A HN 0.869 nan 8.150 nan 0.000 0.438 245 A N -0.473 122.266 122.820 -0.135 0.000 2.601 245 A HA 0.827 5.147 4.320 -0.000 0.000 0.291 245 A C 0.181 177.698 177.584 -0.111 0.000 1.075 245 A CA 0.110 52.083 52.037 -0.108 0.000 0.671 245 A CB 0.562 19.518 19.000 -0.073 0.000 1.277 245 A HN 2.568 nan 8.150 nan 0.000 0.417 246 G N -0.432 108.284 108.800 -0.141 0.000 3.254 246 G HA2 -0.076 3.883 3.960 -0.000 0.000 0.219 246 G HA3 -0.076 3.883 3.960 -0.000 0.000 0.219 246 G C 0.548 175.323 174.900 -0.209 0.000 0.964 246 G CA 0.912 45.935 45.100 -0.128 0.000 0.823 246 G HN 1.228 nan 8.290 nan 0.000 0.579 247 E N -0.114 119.807 120.200 -0.465 0.000 2.267 247 E HA -0.142 4.208 4.350 -0.000 0.000 0.197 247 E C 1.338 177.655 176.600 -0.472 0.000 0.998 247 E CA 1.281 57.295 56.400 -0.643 0.000 0.830 247 E CB -0.319 28.654 29.700 -1.212 0.000 0.751 247 E HN 0.564 nan 8.360 nan 0.000 0.491 248 Y N 0.902 121.187 120.300 -0.025 0.000 2.524 248 Y HA 0.313 4.863 4.550 -0.000 0.000 0.266 248 Y C 0.043 176.032 175.900 0.147 0.000 1.180 248 Y CA -0.443 57.694 58.100 0.062 0.000 1.244 248 Y CB 0.245 38.740 38.460 0.058 0.000 1.125 248 Y HN -0.072 nan 8.280 nan 0.000 0.524 249 E N -0.300 120.008 120.200 0.180 0.000 2.349 249 E HA 0.121 4.470 4.350 -0.000 0.000 0.265 249 E C 0.024 176.758 176.600 0.223 0.000 1.064 249 E CA -0.215 56.250 56.400 0.108 0.000 0.886 249 E CB 0.324 30.016 29.700 -0.012 0.000 1.036 249 E HN 0.459 nan 8.360 nan 0.000 0.413 250 W N 0.288 121.626 121.300 0.065 0.000 2.324 250 W HA 0.270 4.930 4.660 -0.000 0.000 0.316 250 W C -0.312 176.245 176.519 0.063 0.000 0.927 250 W CA 0.055 57.435 57.345 0.058 0.000 1.438 250 W CB -0.136 29.344 29.460 0.032 0.000 1.085 250 W HN 0.375 nan 8.180 nan 0.000 0.532 251 T N -1.828 112.594 114.554 -0.220 0.000 2.930 251 T HA 0.426 4.776 4.350 -0.000 0.000 0.290 251 T C 0.378 175.054 174.700 -0.041 0.000 1.052 251 T CA -0.683 61.352 62.100 -0.110 0.000 1.017 251 T CB 2.101 70.833 68.868 -0.225 0.000 1.137 251 T HN 0.112 nan 8.240 nan 0.000 0.511 252 L N 0.899 122.139 121.223 0.027 0.000 2.179 252 L HA 0.145 4.485 4.340 -0.000 0.000 0.208 252 L C -0.705 176.185 176.870 0.034 0.000 1.096 252 L CA 0.419 55.284 54.840 0.042 0.000 0.779 252 L CB -0.865 41.233 42.059 0.066 0.000 0.922 252 L HN 0.546 nan 8.230 nan 0.000 0.443 253 P HA -0.152 nan 4.420 nan 0.000 0.221 253 P C 1.366 178.678 177.300 0.020 0.000 1.150 253 P CA 1.106 64.213 63.100 0.012 0.000 0.800 253 P CB 0.101 31.778 31.700 -0.039 0.000 0.787 254 Q N -0.587 119.155 119.800 -0.097 0.000 2.050 254 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 254 Q C 2.214 178.165 176.000 -0.080 0.000 0.980 254 Q CA 1.186 56.899 55.803 -0.149 0.000 0.840 254 Q CB -0.716 27.829 28.738 -0.321 0.000 0.898 254 Q HN 0.236 nan 8.270 nan 0.000 0.424 255 L N 0.132 121.327 121.223 -0.047 0.000 2.042 255 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 255 L C 2.710 179.540 176.870 -0.067 0.000 1.076 255 L CA 1.365 56.184 54.840 -0.035 0.000 0.749 255 L CB -0.769 41.292 42.059 0.003 0.000 0.893 255 L HN 0.487 nan 8.230 nan 0.000 0.432 256 H N 0.343 119.358 119.070 -0.091 0.000 2.353 256 H HA -0.188 4.367 4.556 -0.000 0.000 0.300 256 H C 1.602 176.872 175.328 -0.096 0.000 1.090 256 H CA 1.959 57.956 56.048 -0.085 0.000 1.327 256 H CB 0.158 29.933 29.762 0.021 0.000 1.383 256 H HN 0.351 nan 8.280 nan 0.000 0.508 257 D N 0.777 121.124 120.400 -0.087 0.000 2.097 257 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 257 D C 2.463 178.663 176.300 -0.168 0.000 0.984 257 D CA 0.531 54.458 54.000 -0.121 0.000 0.826 257 D CB -0.420 40.361 40.800 -0.032 0.000 0.973 257 D HN 0.285 nan 8.370 nan 0.000 0.460 258 L N 1.168 122.303 121.223 -0.146 0.000 2.042 258 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 258 L C 2.173 178.928 176.870 -0.191 0.000 1.076 258 L CA 1.551 56.310 54.840 -0.134 0.000 0.749 258 L CB -0.824 41.176 42.059 -0.099 0.000 0.893 258 L HN -0.031 nan 8.230 nan 0.000 0.432 259 A N -0.749 121.876 122.820 -0.324 0.000 1.978 259 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 259 A C 2.171 179.547 177.584 -0.346 0.000 1.170 259 A CA 1.503 53.265 52.037 -0.459 0.000 0.636 259 A CB -1.406 17.011 19.000 -0.971 0.000 0.810 259 A HN 0.519 nan 8.150 nan 0.000 0.448 260 G N -2.498 106.136 108.800 -0.276 0.000 2.848 260 G HA2 0.086 4.046 3.960 -0.000 0.000 0.208 260 G HA3 0.086 4.046 3.960 -0.000 0.000 0.208 260 G C 0.835 175.698 174.900 -0.061 0.000 1.152 260 G CA 1.085 46.137 45.100 -0.080 0.000 0.789 260 G HN 0.526 nan 8.290 nan 0.000 0.531 261 C N -0.541 118.710 119.300 -0.082 0.000 3.580 261 C HA 0.420 4.879 4.460 -0.000 0.000 0.337 261 C C 0.859 175.817 174.990 -0.054 0.000 1.412 261 C CA -0.054 58.931 59.018 -0.056 0.000 1.797 261 C CB -0.391 27.316 27.740 -0.055 0.000 2.470 261 C HN 0.279 nan 8.230 nan 0.000 0.691 262 V N -1.524 118.349 119.914 -0.068 0.000 3.113 262 V HA 0.626 4.746 4.120 -0.000 0.000 0.316 262 V C -0.085 175.971 176.094 -0.063 0.000 1.125 262 V CA -0.326 61.931 62.300 -0.072 0.000 1.026 262 V CB 1.291 33.062 31.823 -0.088 0.000 1.080 262 V HN 0.021 nan 8.190 nan 0.000 0.444 263 D N 0.527 120.883 120.400 -0.074 0.000 2.240 263 D HA 0.264 4.904 4.640 -0.000 0.000 0.206 263 D C 0.421 176.687 176.300 -0.057 0.000 0.963 263 D CA 1.457 55.421 54.000 -0.059 0.000 0.863 263 D CB 0.703 41.465 40.800 -0.063 0.000 0.973 263 D HN 0.523 nan 8.370 nan 0.000 0.501 264 I N 1.474 121.993 120.570 -0.084 0.000 2.534 264 I HA 0.172 4.342 4.170 -0.000 0.000 0.288 264 I C -1.053 175.026 176.117 -0.063 0.000 1.077 264 I CA -1.010 60.254 61.300 -0.061 0.000 1.051 264 I CB 2.764 40.741 38.000 -0.039 0.000 1.234 264 I HN -0.204 nan 8.210 nan 0.000 0.425 265 L N 6.822 128.034 121.223 -0.019 0.000 2.312 265 L HA 0.459 4.799 4.340 -0.000 0.000 0.281 265 L C -0.559 176.283 176.870 -0.047 0.000 1.070 265 L CA 0.371 55.215 54.840 0.006 0.000 0.805 265 L CB 1.162 43.270 42.059 0.082 0.000 1.174 265 L HN 0.569 nan 8.230 nan 0.000 0.434 266 Q N 3.513 123.271 119.800 -0.071 0.000 2.377 266 Q HA 0.892 5.232 4.340 -0.000 0.000 0.271 266 Q C -1.273 174.731 176.000 0.008 0.000 1.077 266 Q CA -0.928 54.765 55.803 -0.183 0.000 0.820 266 Q CB 2.236 30.888 28.738 -0.143 0.000 1.347 266 Q HN 0.857 nan 8.270 nan 0.000 0.444 267 A N 1.218 124.096 122.820 0.097 0.000 2.594 267 A HA 0.565 4.885 4.320 -0.000 0.000 0.291 267 A C -1.856 175.849 177.584 0.203 0.000 1.105 267 A CA -0.615 51.549 52.037 0.213 0.000 0.694 267 A CB 1.899 21.114 19.000 0.358 0.000 1.291 267 A HN 0.662 nan 8.150 nan 0.000 0.410 268 D N 1.133 121.631 120.400 0.163 0.000 2.440 268 D HA 0.257 4.897 4.640 -0.000 0.000 0.239 268 D C 0.791 177.181 176.300 0.151 0.000 1.084 268 D CA -0.246 53.861 54.000 0.177 0.000 0.843 268 D CB 1.899 42.810 40.800 0.186 0.000 1.097 268 D HN 0.245 nan 8.370 nan 0.000 0.531 269 V N 3.917 123.914 119.914 0.138 0.000 2.660 269 V HA -0.212 3.907 4.120 -0.000 0.000 0.257 269 V C 1.962 178.087 176.094 0.052 0.000 1.088 269 V CA 2.931 65.281 62.300 0.085 0.000 1.106 269 V CB -0.466 31.384 31.823 0.044 0.000 0.686 269 V HN 0.803 nan 8.190 nan 0.000 0.481 270 T N -3.794 110.794 114.554 0.057 0.000 3.144 270 T HA 0.147 4.497 4.350 -0.000 0.000 0.249 270 T C 1.483 176.225 174.700 0.069 0.000 1.089 270 T CA 0.403 62.519 62.100 0.026 0.000 0.989 270 T CB -0.035 68.838 68.868 0.008 0.000 0.992 270 T HN 0.564 nan 8.240 nan 0.000 0.540 271 R N -0.448 120.111 120.500 0.099 0.000 2.561 271 R HA 0.245 4.585 4.340 -0.000 0.000 0.213 271 R C 1.803 178.186 176.300 0.139 0.000 0.885 271 R CA 0.627 56.792 56.100 0.108 0.000 1.002 271 R CB 0.039 30.406 30.300 0.113 0.000 1.432 271 R HN 0.554 nan 8.270 nan 0.000 0.651 272 C N -0.378 119.014 119.300 0.154 0.000 2.625 272 C HA 0.554 5.014 4.460 -0.000 0.000 0.285 272 C C 1.270 176.409 174.990 0.248 0.000 1.279 272 C CA 0.035 59.164 59.018 0.185 0.000 1.698 272 C CB -0.529 27.306 27.740 0.158 0.000 1.821 272 C HN 0.650 nan 8.230 nan 0.000 0.600 273 G N -0.491 108.472 108.800 0.272 0.000 2.143 273 G HA2 0.399 4.359 3.960 -0.000 0.000 0.175 273 G HA3 0.399 4.359 3.960 -0.000 0.000 0.175 273 G C 0.802 175.975 174.900 0.455 0.000 1.004 273 G CA 0.215 45.614 45.100 0.499 0.000 0.671 273 G HN 2.338 nan 8.290 nan 0.000 0.512 274 G N -0.595 108.340 108.800 0.225 0.000 2.553 274 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.242 274 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.242 274 G C 1.026 175.937 174.900 0.018 0.000 1.277 274 G CA 0.265 45.445 45.100 0.134 0.000 0.910 274 G HN 1.030 nan 8.290 nan 0.000 0.576 275 I N 0.589 121.130 120.570 -0.047 0.000 2.202 275 I HA -0.116 4.053 4.170 -0.000 0.000 0.242 275 I C 3.125 179.053 176.117 -0.316 0.000 1.091 275 I CA 2.226 63.361 61.300 -0.275 0.000 1.368 275 I CB -0.605 37.044 38.000 -0.584 0.000 1.058 275 I HN 0.662 nan 8.210 nan 0.000 0.410 276 T N 0.442 114.874 114.554 -0.202 0.000 2.665 276 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 276 T C 1.902 176.267 174.700 -0.557 0.000 1.035 276 T CA 1.613 63.473 62.100 -0.399 0.000 1.151 276 T CB -0.822 67.625 68.868 -0.703 0.000 0.862 276 T HN 0.594 nan 8.240 nan 0.000 0.438 277 G N 1.242 109.805 108.800 -0.395 0.000 2.421 277 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 277 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 277 G C 1.496 176.327 174.900 -0.116 0.000 1.171 277 G CA 0.690 45.719 45.100 -0.118 0.000 0.775 277 G HN 0.412 nan 8.290 nan 0.000 0.543 278 L N 0.412 121.560 121.223 -0.125 0.000 2.127 278 L HA 0.097 4.437 4.340 -0.000 0.000 0.211 278 L C 2.622 179.357 176.870 -0.225 0.000 1.089 278 L CA 1.117 55.862 54.840 -0.159 0.000 0.757 278 L CB -0.260 41.720 42.059 -0.131 0.000 0.899 278 L HN 0.199 nan 8.230 nan 0.000 0.434 279 L N -1.302 119.783 121.223 -0.229 0.000 2.362 279 L HA -0.173 4.167 4.340 -0.000 0.000 0.219 279 L C 2.234 179.006 176.870 -0.162 0.000 1.134 279 L CA 0.681 55.398 54.840 -0.204 0.000 0.807 279 L CB -0.290 41.642 42.059 -0.212 0.000 0.927 279 L HN 0.170 nan 8.230 nan 0.000 0.447 280 R N -1.492 118.913 120.500 -0.158 0.000 2.297 280 R HA 0.010 4.350 4.340 -0.000 0.000 0.197 280 R C 1.956 178.189 176.300 -0.111 0.000 0.943 280 R CA 0.204 56.240 56.100 -0.107 0.000 1.038 280 R CB -0.045 30.211 30.300 -0.073 0.000 0.957 280 R HN 0.063 nan 8.270 nan 0.000 0.484 281 V N 0.496 120.295 119.914 -0.192 0.000 2.488 281 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 281 V C 1.447 177.397 176.094 -0.239 0.000 1.046 281 V CA 1.673 63.822 62.300 -0.252 0.000 1.053 281 V CB -0.218 31.303 31.823 -0.502 0.000 0.679 281 V HN 0.255 nan 8.190 nan 0.000 0.458 282 D N 0.674 120.926 120.400 -0.247 0.000 2.116 282 D HA -0.171 4.468 4.640 -0.000 0.000 0.193 282 D C 2.178 178.424 176.300 -0.088 0.000 0.998 282 D CA 1.789 55.682 54.000 -0.178 0.000 0.836 282 D CB -0.543 40.156 40.800 -0.168 0.000 0.951 282 D HN 0.459 nan 8.370 nan 0.000 0.449 283 G N 0.727 109.492 108.800 -0.058 0.000 2.442 283 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 283 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 283 G C 1.671 176.594 174.900 0.038 0.000 1.141 283 G CA 0.361 45.456 45.100 -0.009 0.000 0.763 283 G HN 0.235 nan 8.290 nan 0.000 0.554 284 I N 0.592 121.183 120.570 0.035 0.000 2.233 284 I HA -0.092 4.078 4.170 -0.000 0.000 0.243 284 I C 2.884 179.077 176.117 0.128 0.000 1.093 284 I CA 0.711 62.078 61.300 0.111 0.000 1.380 284 I CB -1.153 36.876 38.000 0.049 0.000 1.067 284 I HN 0.182 nan 8.210 nan 0.000 0.413 285 C N 0.994 120.316 119.300 0.036 0.000 2.453 285 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 285 C C 2.898 177.920 174.990 0.053 0.000 1.262 285 C CA 0.396 59.440 59.018 0.045 0.000 1.718 285 C CB -0.844 26.911 27.740 0.026 0.000 2.031 285 C HN 0.438 nan 8.230 nan 0.000 0.480 286 R N 0.935 121.443 120.500 0.013 0.000 2.092 286 R HA -0.031 4.309 4.340 -0.000 0.000 0.231 286 R C 2.404 178.719 176.300 0.024 0.000 1.119 286 R CA 1.526 57.626 56.100 0.001 0.000 0.970 286 R CB -1.609 28.671 30.300 -0.034 0.000 0.864 286 R HN 0.603 nan 8.270 nan 0.000 0.440 287 G N 0.097 108.926 108.800 0.049 0.000 2.450 287 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 287 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 287 G C 0.871 175.745 174.900 -0.043 0.000 1.130 287 G CA 0.860 45.971 45.100 0.019 0.000 0.760 287 G HN 0.419 nan 8.290 nan 0.000 0.557 288 H N -0.756 118.312 119.070 -0.004 0.000 2.622 288 H HA 0.228 4.784 4.556 -0.000 0.000 0.269 288 H C 0.709 176.027 175.328 -0.017 0.000 0.977 288 H CA 0.088 56.127 56.048 -0.015 0.000 1.179 288 H CB 0.490 30.235 29.762 -0.030 0.000 1.458 288 H HN 0.096 nan 8.280 nan 0.000 0.531 289 Q N -0.094 119.757 119.800 0.085 0.000 2.478 289 Q HA -0.165 4.175 4.340 -0.000 0.000 0.286 289 Q C -0.378 175.645 176.000 0.039 0.000 1.299 289 Q CA 0.980 56.807 55.803 0.041 0.000 0.826 289 Q CB -2.477 26.272 28.738 0.018 0.000 1.199 289 Q HN 0.702 nan 8.270 nan 0.000 0.451 290 I N -3.662 116.937 120.570 0.048 0.000 2.646 290 I HA 0.744 4.914 4.170 -0.000 0.000 0.299 290 I C -2.402 173.734 176.117 0.032 0.000 1.036 290 I CA -2.917 58.400 61.300 0.029 0.000 1.074 290 I CB 2.252 40.265 38.000 0.020 0.000 1.258 290 I HN -0.286 nan 8.210 nan 0.000 0.430 291 P HA 0.202 nan 4.420 nan 0.000 0.272 291 P C -1.218 176.133 177.300 0.084 0.000 1.230 291 P CA 0.122 63.236 63.100 0.022 0.000 0.788 291 P CB 0.412 32.089 31.700 -0.038 0.000 0.949 292 F N 0.555 120.465 119.950 -0.067 0.000 2.507 292 F HA 0.638 5.165 4.527 -0.000 0.000 0.327 292 F C -0.456 175.327 175.800 -0.029 0.000 1.068 292 F CA -0.491 57.486 58.000 -0.038 0.000 0.965 292 F CB 1.827 40.807 39.000 -0.033 0.000 1.192 292 F HN 0.225 nan 8.300 nan 0.000 0.476 293 S N 3.653 118.729 115.700 -1.041 0.000 2.619 293 S HA 0.780 5.250 4.470 -0.000 0.000 0.280 293 S C -1.083 172.973 174.600 -0.905 0.000 1.150 293 S CA -0.470 57.350 58.200 -0.633 0.000 0.978 293 S CB 0.816 63.987 63.200 -0.047 0.000 1.041 293 S HN 1.087 nan 8.310 nan 0.000 0.485 294 A N 3.384 125.910 122.820 -0.490 0.000 2.401 294 A HA 0.520 4.840 4.320 -0.000 0.000 0.259 294 A C -0.385 177.178 177.584 -0.035 0.000 1.103 294 A CA -0.092 51.831 52.037 -0.190 0.000 0.789 294 A CB -0.059 18.995 19.000 0.091 0.000 1.035 294 A HN 0.966 nan 8.150 nan 0.000 0.491 295 H N 0.734 119.749 119.070 -0.092 0.000 2.476 295 H HA 0.498 5.054 4.556 -0.000 0.000 0.328 295 H C 0.156 175.448 175.328 -0.061 0.000 1.073 295 H CA 0.447 56.434 56.048 -0.102 0.000 1.229 295 H CB 0.554 30.239 29.762 -0.128 0.000 1.432 295 H HN 1.070 nan 8.280 nan 0.000 0.477 296 C N 2.552 121.569 119.300 -0.471 0.000 0.168 296 C HA 0.007 4.467 4.460 -0.000 0.000 0.017 296 C C 1.069 176.150 174.990 0.151 0.000 0.171 296 C CA 0.584 59.477 59.018 -0.208 0.000 0.499 296 C CB -1.623 25.991 27.740 -0.211 0.000 3.212 296 C HN 1.832 nan 8.230 nan 0.000 1.118 297 A N -0.156 122.941 122.820 0.462 0.000 2.416 297 A HA -0.103 4.217 4.320 -0.000 0.000 0.293 297 A C -0.786 176.962 177.584 0.273 0.000 1.452 297 A CA 1.139 53.438 52.037 0.437 0.000 0.738 297 A CB -1.179 18.048 19.000 0.378 0.000 1.123 297 A HN 0.855 nan 8.150 nan 0.000 0.389 298 P HA -0.134 nan 4.420 nan 0.000 0.216 298 P C 1.762 179.171 177.300 0.183 0.000 1.150 298 P CA 1.955 65.136 63.100 0.135 0.000 0.837 298 P CB 0.003 31.742 31.700 0.066 0.000 0.786 299 A N -0.379 122.588 122.820 0.245 0.000 1.877 299 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 299 A C 2.346 180.065 177.584 0.225 0.000 1.186 299 A CA 2.011 54.193 52.037 0.241 0.000 0.620 299 A CB -1.659 17.494 19.000 0.256 0.000 0.822 299 A HN 0.069 nan 8.150 nan 0.000 0.443 300 V N -0.275 119.757 119.914 0.197 0.000 2.379 300 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 300 V C 2.683 178.837 176.094 0.099 0.000 1.044 300 V CA 2.154 64.494 62.300 0.066 0.000 1.036 300 V CB -0.856 30.891 31.823 -0.127 0.000 0.664 300 V HN 0.520 nan 8.190 nan 0.000 0.453 301 S N 0.547 116.310 115.700 0.105 0.000 2.382 301 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 301 S C 2.279 176.933 174.600 0.091 0.000 1.027 301 S CA 1.272 59.531 58.200 0.098 0.000 0.991 301 S CB -0.507 62.752 63.200 0.099 0.000 0.823 301 S HN 0.643 nan 8.310 nan 0.000 0.469 302 A N 1.670 124.541 122.820 0.086 0.000 1.948 302 A HA -0.223 4.096 4.320 -0.000 0.000 0.220 302 A C 1.881 179.417 177.584 -0.080 0.000 1.177 302 A CA 1.635 53.676 52.037 0.007 0.000 0.636 302 A CB -0.774 18.221 19.000 -0.009 0.000 0.815 302 A HN 0.601 nan 8.150 nan 0.000 0.449 303 H N -1.307 117.775 119.070 0.020 0.000 2.355 303 H HA 0.122 4.678 4.556 -0.000 0.000 0.303 303 H C 2.661 177.975 175.328 -0.023 0.000 1.061 303 H CA 1.114 57.160 56.048 -0.003 0.000 1.368 303 H CB -0.346 29.402 29.762 -0.022 0.000 1.412 303 H HN 0.537 nan 8.280 nan 0.000 0.523 304 A N 0.681 123.553 122.820 0.087 0.000 1.908 304 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 304 A C 2.573 180.169 177.584 0.019 0.000 1.181 304 A CA 1.480 53.510 52.037 -0.011 0.000 0.627 304 A CB -1.081 17.901 19.000 -0.031 0.000 0.818 304 A HN 0.473 nan 8.150 nan 0.000 0.445 305 C N -1.515 117.833 119.300 0.079 0.000 2.472 305 C HA -0.035 4.424 4.460 -0.000 0.000 0.278 305 C C 2.595 177.699 174.990 0.190 0.000 1.447 305 C CA 0.315 59.414 59.018 0.135 0.000 1.773 305 C CB -2.011 25.820 27.740 0.152 0.000 1.793 305 C HN 0.733 nan 8.230 nan 0.000 0.544 306 C N 0.420 119.807 119.300 0.146 0.000 2.456 306 C HA 0.054 4.514 4.460 -0.000 0.000 0.279 306 C C 2.647 177.738 174.990 0.167 0.000 1.427 306 C CA 1.107 60.244 59.018 0.199 0.000 1.778 306 C CB -1.403 26.388 27.740 0.084 0.000 1.842 306 C HN 0.726 nan 8.230 nan 0.000 0.531 307 A N -0.524 122.361 122.820 0.110 0.000 2.275 307 A HA 0.341 4.660 4.320 -0.000 0.000 0.212 307 A C 0.604 178.303 177.584 0.191 0.000 1.201 307 A CA 0.482 52.580 52.037 0.102 0.000 0.843 307 A CB 0.071 19.044 19.000 -0.045 0.000 0.873 307 A HN 0.305 nan 8.150 nan 0.000 0.492 308 V N 0.840 120.827 119.914 0.121 0.000 2.311 308 V HA 0.133 4.252 4.120 -0.000 0.000 0.275 308 V C 1.128 177.170 176.094 -0.087 0.000 1.022 308 V CA -0.303 61.973 62.300 -0.040 0.000 0.830 308 V CB 0.996 32.764 31.823 -0.092 0.000 1.012 308 V HN 0.694 nan 8.190 nan 0.000 0.452 309 E N 3.257 123.088 120.200 -0.615 0.000 2.077 309 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 309 E C 1.908 178.390 176.600 -0.198 0.000 0.989 309 E CA 1.684 57.601 56.400 -0.804 0.000 0.800 309 E CB 0.190 29.053 29.700 -1.396 0.000 0.746 309 E HN 0.830 nan 8.360 nan 0.000 0.452 310 S N 0.419 116.022 115.700 -0.162 0.000 2.660 310 S HA -0.033 4.437 4.470 -0.000 0.000 0.223 310 S C 0.726 175.367 174.600 0.069 0.000 0.963 310 S CA -0.338 57.839 58.200 -0.039 0.000 0.932 310 S CB -0.296 62.886 63.200 -0.030 0.000 0.775 310 S HN 0.220 nan 8.310 nan 0.000 0.531 311 L N 1.879 123.168 121.223 0.111 0.000 2.584 311 L HA 0.157 4.497 4.340 -0.000 0.000 0.272 311 L C 0.955 177.793 176.870 -0.052 0.000 1.195 311 L CA 0.055 54.966 54.840 0.118 0.000 0.920 311 L CB 0.509 42.616 42.059 0.080 0.000 1.173 311 L HN 0.242 nan 8.230 nan 0.000 0.489 312 L N 4.687 125.834 121.223 -0.126 0.000 2.130 312 L HA 0.264 4.604 4.340 -0.000 0.000 0.200 312 L C 0.041 176.745 176.870 -0.276 0.000 1.075 312 L CA 1.156 55.817 54.840 -0.297 0.000 0.768 312 L CB -0.283 41.445 42.059 -0.552 0.000 0.933 312 L HN 0.996 nan 8.230 nan 0.000 0.451 313 H N -2.826 116.233 119.070 -0.017 0.000 2.950 313 H HA 0.562 5.117 4.556 -0.000 0.000 0.307 313 H C -1.241 174.085 175.328 -0.003 0.000 1.403 313 H CA -1.398 54.649 56.048 -0.002 0.000 1.145 313 H CB 0.099 29.895 29.762 0.057 0.000 1.844 313 H HN 0.034 nan 8.280 nan 0.000 0.515 314 L N -1.787 119.533 121.223 0.160 0.000 2.354 314 L HA 0.649 4.989 4.340 -0.000 0.000 0.269 314 L C -0.076 176.606 176.870 -0.314 0.000 1.005 314 L CA -0.924 53.914 54.840 -0.003 0.000 0.819 314 L CB 2.042 44.106 42.059 0.009 0.000 1.311 314 L HN 0.882 nan 8.230 nan 0.000 0.423 315 E N 1.720 121.631 120.200 -0.482 0.000 2.180 315 E HA 0.084 4.433 4.350 -0.000 0.000 0.283 315 E C -1.464 174.829 176.600 -0.513 0.000 1.061 315 E CA -0.473 55.322 56.400 -1.009 0.000 0.861 315 E CB 0.472 29.767 29.700 -0.674 0.000 1.056 315 E HN 0.710 nan 8.360 nan 0.000 0.407 316 Y N 6.875 126.764 120.300 -0.685 0.000 2.632 316 Y HA 0.152 4.702 4.550 -0.000 0.000 0.336 316 Y C -1.155 174.575 175.900 -0.283 0.000 1.237 316 Y CA -0.791 57.074 58.100 -0.392 0.000 1.595 316 Y CB -0.279 37.910 38.460 -0.451 0.000 1.508 316 Y HN 0.453 nan 8.280 nan 0.000 0.480 317 F N 4.690 124.324 119.950 -0.527 0.000 2.445 317 F HA 0.171 4.698 4.527 -0.000 0.000 0.359 317 F C 1.463 177.098 175.800 -0.277 0.000 1.101 317 F CA -0.519 57.244 58.000 -0.395 0.000 1.177 317 F CB 0.443 39.150 39.000 -0.488 0.000 1.110 317 F HN 0.645 nan 8.300 nan 0.000 0.522 318 H N 3.612 122.336 119.070 -0.576 0.000 2.252 318 H HA -0.220 4.336 4.556 -0.000 0.000 0.292 318 H C 1.586 176.650 175.328 -0.441 0.000 1.082 318 H CA 2.834 58.705 56.048 -0.295 0.000 1.229 318 H CB -0.112 29.687 29.762 0.063 0.000 1.353 318 H HN 0.719 nan 8.280 nan 0.000 0.488 319 D N -0.768 119.063 120.400 -0.947 0.000 2.170 319 D HA -0.194 4.445 4.640 -0.000 0.000 0.193 319 D C 2.203 178.305 176.300 -0.331 0.000 1.004 319 D CA 2.056 55.698 54.000 -0.597 0.000 0.860 319 D CB -0.507 40.092 40.800 -0.336 0.000 0.931 319 D HN 0.705 nan 8.370 nan 0.000 0.448 320 H N -0.428 118.392 119.070 -0.418 0.000 2.355 320 H HA 0.220 4.776 4.556 -0.000 0.000 0.303 320 H C 2.165 177.368 175.328 -0.208 0.000 1.061 320 H CA 0.462 56.333 56.048 -0.295 0.000 1.368 320 H CB 0.131 29.779 29.762 -0.189 0.000 1.412 320 H HN 0.090 nan 8.280 nan 0.000 0.523 321 A N 1.791 124.491 122.820 -0.199 0.000 1.884 321 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 321 A C 2.243 179.750 177.584 -0.128 0.000 1.197 321 A CA 2.148 54.022 52.037 -0.272 0.000 0.637 321 A CB -0.740 17.837 19.000 -0.705 0.000 0.827 321 A HN 0.367 nan 8.150 nan 0.000 0.450 322 R N -0.646 119.731 120.500 -0.205 0.000 2.070 322 R HA -0.103 4.237 4.340 -0.000 0.000 0.233 322 R C 1.970 178.186 176.300 -0.138 0.000 1.137 322 R CA 1.929 57.927 56.100 -0.170 0.000 0.945 322 R CB -0.541 29.570 30.300 -0.314 0.000 0.845 322 R HN 0.285 nan 8.270 nan 0.000 0.430 323 V N 1.371 121.196 119.914 -0.148 0.000 2.407 323 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 323 V C 1.998 178.007 176.094 -0.142 0.000 1.055 323 V CA 2.134 64.346 62.300 -0.147 0.000 1.049 323 V CB -0.442 31.342 31.823 -0.065 0.000 0.662 323 V HN 0.441 nan 8.190 nan 0.000 0.455 324 E N -0.062 120.120 120.200 -0.030 0.000 2.072 324 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 324 E C 2.585 179.232 176.600 0.079 0.000 0.985 324 E CA 1.519 57.966 56.400 0.080 0.000 0.801 324 E CB -0.289 29.541 29.700 0.216 0.000 0.750 324 E HN 0.632 nan 8.360 nan 0.000 0.452 325 R N 0.724 121.249 120.500 0.042 0.000 2.115 325 R HA -0.040 4.300 4.340 -0.000 0.000 0.230 325 R C 2.083 178.380 176.300 -0.005 0.000 1.111 325 R CA 1.337 57.468 56.100 0.051 0.000 0.976 325 R CB -1.300 29.036 30.300 0.059 0.000 0.870 325 R HN 0.108 nan 8.270 nan 0.000 0.445 326 L N 0.063 121.243 121.223 -0.071 0.000 2.109 326 L HA 0.143 4.483 4.340 -0.000 0.000 0.207 326 L C 2.120 178.896 176.870 -0.157 0.000 1.086 326 L CA 1.567 56.348 54.840 -0.097 0.000 0.760 326 L CB -0.002 41.961 42.059 -0.159 0.000 0.910 326 L HN 0.380 nan 8.230 nan 0.000 0.437 327 L N -2.627 118.407 121.223 -0.314 0.000 2.463 327 L HA 0.160 4.499 4.340 -0.000 0.000 0.219 327 L C -0.028 176.484 176.870 -0.597 0.000 1.088 327 L CA -0.086 54.419 54.840 -0.558 0.000 0.849 327 L CB 0.065 41.574 42.059 -0.916 0.000 1.012 327 L HN 0.010 nan 8.230 nan 0.000 0.468 328 F N -0.585 119.307 119.950 -0.096 0.000 2.546 328 F HA 0.336 4.863 4.527 -0.001 0.000 0.320 328 F C 0.105 175.891 175.800 -0.024 0.000 1.076 328 F CA -1.229 56.732 58.000 -0.065 0.000 0.928 328 F CB 1.633 40.596 39.000 -0.062 0.000 1.189 328 F HN -0.172 nan 8.300 nan 0.000 0.465 329 D N 0.820 121.346 120.400 0.211 0.000 2.264 329 D HA 0.421 5.060 4.640 -0.000 0.000 0.249 329 D C 0.816 177.191 176.300 0.125 0.000 1.070 329 D CA 0.599 54.678 54.000 0.131 0.000 0.912 329 D CB 1.698 42.552 40.800 0.090 0.000 1.193 329 D HN 0.868 nan 8.370 nan 0.000 0.427 330 G N 1.187 110.045 108.800 0.097 0.000 2.168 330 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.197 330 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.197 330 G C 0.485 175.438 174.900 0.089 0.000 0.997 330 G CA 0.200 45.346 45.100 0.076 0.000 0.658 330 G HN 0.696 nan 8.290 nan 0.000 0.513 331 T N -0.209 114.413 114.554 0.113 0.000 2.918 331 T HA 0.657 5.007 4.350 -0.000 0.000 0.302 331 T C 0.620 175.390 174.700 0.117 0.000 1.045 331 T CA -0.427 61.751 62.100 0.130 0.000 1.114 331 T CB 1.751 70.714 68.868 0.158 0.000 0.965 331 T HN 0.503 nan 8.240 nan 0.000 0.540 332 L N 1.794 123.092 121.223 0.125 0.000 2.360 332 L HA 0.455 4.795 4.340 -0.000 0.000 0.271 332 L C 0.509 177.435 176.870 0.093 0.000 1.057 332 L CA -1.074 53.821 54.840 0.092 0.000 0.803 332 L CB 1.127 43.228 42.059 0.070 0.000 1.207 332 L HN 0.706 nan 8.230 nan 0.000 0.445 333 D N 2.907 123.335 120.400 0.046 0.000 2.225 333 D HA 0.203 4.843 4.640 -0.000 0.000 0.248 333 D C -1.780 174.484 176.300 -0.060 0.000 1.096 333 D CA -1.702 52.305 54.000 0.011 0.000 0.863 333 D CB 1.784 42.591 40.800 0.011 0.000 1.156 333 D HN 0.254 nan 8.370 nan 0.000 0.450 334 P HA 0.068 nan 4.420 nan 0.000 0.262 334 P C 0.018 177.196 177.300 -0.203 0.000 1.304 334 P CA -0.145 62.783 63.100 -0.286 0.000 0.859 334 P CB 0.225 31.485 31.700 -0.733 0.000 1.310 335 E N 1.703 121.831 120.200 -0.120 0.000 2.966 335 E HA 0.116 4.465 4.350 -0.000 0.000 0.254 335 E C 1.338 177.901 176.600 -0.062 0.000 0.923 335 E CA 1.701 58.061 56.400 -0.067 0.000 0.960 335 E CB -0.918 28.762 29.700 -0.033 0.000 0.901 335 E HN 0.345 nan 8.360 nan 0.000 0.525 336 G N 2.888 111.657 108.800 -0.052 0.000 2.176 336 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.253 336 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.253 336 G C 0.951 175.819 174.900 -0.053 0.000 0.979 336 G CA 0.450 45.526 45.100 -0.041 0.000 0.641 336 G HN 1.800 nan 8.290 nan 0.000 0.530 337 G N -2.218 106.531 108.800 -0.084 0.000 2.192 337 G HA2 0.146 4.106 3.960 -0.000 0.000 0.193 337 G HA3 0.146 4.106 3.960 -0.000 0.000 0.193 337 G C 0.158 174.999 174.900 -0.098 0.000 0.999 337 G CA 0.666 45.709 45.100 -0.094 0.000 0.659 337 G HN 1.723 nan 8.290 nan 0.000 0.503 338 S N -0.560 115.085 115.700 -0.091 0.000 2.632 338 S HA 0.822 5.292 4.470 -0.000 0.000 0.289 338 S C -0.462 174.090 174.600 -0.079 0.000 1.115 338 S CA -0.674 57.481 58.200 -0.075 0.000 0.889 338 S CB 1.874 65.044 63.200 -0.050 0.000 1.116 338 S HN 0.434 nan 8.310 nan 0.000 0.486 339 L N 1.998 123.186 121.223 -0.060 0.000 2.313 339 L HA 0.596 4.936 4.340 -0.000 0.000 0.283 339 L C 0.025 176.865 176.870 -0.051 0.000 1.013 339 L CA -0.512 54.301 54.840 -0.046 0.000 0.816 339 L CB 1.453 43.500 42.059 -0.019 0.000 1.236 339 L HN 0.443 nan 8.230 nan 0.000 0.419 340 R N 4.393 124.864 120.500 -0.049 0.000 2.343 340 R HA 0.470 4.810 4.340 -0.000 0.000 0.320 340 R C -2.519 173.727 176.300 -0.089 0.000 0.956 340 R CA -1.614 54.451 56.100 -0.058 0.000 0.836 340 R CB 1.691 31.973 30.300 -0.031 0.000 1.151 340 R HN 0.263 nan 8.270 nan 0.000 0.450 341 P HA -0.095 nan 4.420 nan 0.000 0.266 341 P C -1.019 176.258 177.300 -0.038 0.000 1.193 341 P CA 0.152 63.119 63.100 -0.222 0.000 0.770 341 P CB 0.493 31.976 31.700 -0.362 0.000 0.836 342 D N 3.783 124.206 120.400 0.038 0.000 2.336 342 D HA 0.052 4.692 4.640 -0.000 0.000 0.249 342 D C -1.320 175.018 176.300 0.063 0.000 1.213 342 D CA -1.800 52.231 54.000 0.052 0.000 0.870 342 D CB 0.793 41.633 40.800 0.066 0.000 1.076 342 D HN 0.193 nan 8.370 nan 0.000 0.483 343 P HA -0.034 nan 4.420 nan 0.000 0.226 343 P C 0.295 177.618 177.300 0.038 0.000 1.153 343 P CA 0.562 63.686 63.100 0.040 0.000 0.777 343 P CB 0.549 32.264 31.700 0.025 0.000 0.794 344 D N -0.473 119.948 120.400 0.036 0.000 2.340 344 D HA 0.054 4.694 4.640 -0.000 0.000 0.220 344 D C 0.693 177.013 176.300 0.034 0.000 1.039 344 D CA 0.394 54.413 54.000 0.031 0.000 0.866 344 D CB 0.265 41.080 40.800 0.026 0.000 0.913 344 D HN 0.276 nan 8.370 nan 0.000 0.523 345 R N 1.173 121.700 120.500 0.044 0.000 2.589 345 R HA 0.413 4.753 4.340 -0.000 0.000 0.293 345 R C -2.451 173.870 176.300 0.035 0.000 0.963 345 R CA -1.558 54.564 56.100 0.038 0.000 0.905 345 R CB 2.076 32.401 30.300 0.042 0.000 1.144 345 R HN -0.048 nan 8.270 nan 0.000 0.459 346 P HA 0.211 nan 4.420 nan 0.000 0.281 346 P C 0.293 177.571 177.300 -0.037 0.000 1.264 346 P CA 0.051 63.152 63.100 0.002 0.000 0.824 346 P CB 1.084 32.785 31.700 0.002 0.000 1.092 347 G N 0.575 109.342 108.800 -0.055 0.000 2.594 347 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.297 347 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.297 347 G C 0.922 175.634 174.900 -0.314 0.000 1.273 347 G CA 0.428 45.453 45.100 -0.125 0.000 0.974 347 G HN 0.498 nan 8.290 nan 0.000 0.552 348 L N 1.981 122.985 121.223 -0.364 0.000 2.465 348 L HA 0.249 4.589 4.340 -0.000 0.000 0.224 348 L C 2.496 179.228 176.870 -0.230 0.000 1.145 348 L CA 1.152 55.677 54.840 -0.524 0.000 0.834 348 L CB -0.719 41.161 42.059 -0.298 0.000 0.944 348 L HN 1.948 nan 8.230 nan 0.000 0.451 349 G N 0.775 109.498 108.800 -0.129 0.000 2.179 349 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.257 349 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.257 349 G C 0.040 174.914 174.900 -0.043 0.000 1.010 349 G CA 0.012 45.093 45.100 -0.031 0.000 0.736 349 G HN 0.267 nan 8.290 nan 0.000 0.513 350 L N -0.029 121.122 121.223 -0.121 0.000 2.307 350 L HA 0.789 5.129 4.340 -0.000 0.000 0.284 350 L C 0.384 177.199 176.870 -0.093 0.000 1.023 350 L CA -0.116 54.608 54.840 -0.194 0.000 0.810 350 L CB 1.730 43.446 42.059 -0.572 0.000 1.231 350 L HN 0.351 nan 8.230 nan 0.000 0.423 351 E N 3.369 123.604 120.200 0.059 0.000 2.234 351 E HA 0.504 4.854 4.350 -0.000 0.000 0.266 351 E C -1.136 175.633 176.600 0.282 0.000 0.877 351 E CA -0.885 55.595 56.400 0.134 0.000 0.758 351 E CB 2.341 32.089 29.700 0.081 0.000 1.170 351 E HN 0.511 nan 8.360 nan 0.000 0.415 352 L N 1.877 123.256 121.223 0.259 0.000 2.410 352 L HA 0.268 4.608 4.340 -0.000 0.000 0.273 352 L C 0.298 177.191 176.870 0.038 0.000 1.144 352 L CA -0.001 54.928 54.840 0.148 0.000 0.863 352 L CB 0.497 42.595 42.059 0.064 0.000 1.140 352 L HN 0.572 nan 8.230 nan 0.000 0.463 353 K N 5.589 125.967 120.400 -0.036 0.000 2.228 353 K HA 0.133 4.453 4.320 -0.000 0.000 0.284 353 K C 1.359 177.927 176.600 -0.055 0.000 1.088 353 K CA 0.386 56.654 56.287 -0.031 0.000 0.941 353 K CB 0.195 32.671 32.500 -0.040 0.000 1.158 353 K HN 0.760 nan 8.250 nan 0.000 0.438 354 R N 1.794 122.284 120.500 -0.017 0.000 2.241 354 R HA -0.120 4.220 4.340 -0.000 0.000 0.224 354 R C 2.112 178.408 176.300 -0.007 0.000 1.101 354 R CA 1.948 58.044 56.100 -0.007 0.000 0.995 354 R CB -0.765 29.549 30.300 0.025 0.000 0.870 354 R HN 0.456 nan 8.270 nan 0.000 0.463 355 S N 0.241 115.934 115.700 -0.012 0.000 2.345 355 S HA -0.095 4.375 4.470 -0.000 0.000 0.219 355 S C 1.906 176.489 174.600 -0.029 0.000 1.031 355 S CA 0.988 59.179 58.200 -0.015 0.000 0.984 355 S CB -0.056 63.137 63.200 -0.011 0.000 0.874 355 S HN 0.687 nan 8.310 nan 0.000 0.451 356 E N 1.450 121.637 120.200 -0.023 0.000 2.077 356 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 356 E C 2.314 178.928 176.600 0.025 0.000 0.989 356 E CA 0.998 57.403 56.400 0.009 0.000 0.800 356 E CB -0.494 29.238 29.700 0.054 0.000 0.746 356 E HN 0.471 nan 8.360 nan 0.000 0.452 357 A N 1.544 124.323 122.820 -0.069 0.000 1.881 357 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 357 A C 2.554 180.209 177.584 0.118 0.000 1.215 357 A CA 2.522 54.481 52.037 -0.129 0.000 0.648 357 A CB -1.461 17.439 19.000 -0.167 0.000 0.832 357 A HN 0.381 nan 8.150 nan 0.000 0.455 358 G N -0.824 108.017 108.800 0.068 0.000 2.422 358 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.218 358 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.218 358 G C 1.591 176.484 174.900 -0.011 0.000 1.146 358 G CA 1.312 46.448 45.100 0.061 0.000 0.769 358 G HN 0.667 nan 8.290 nan 0.000 0.547 359 K N -0.633 119.689 120.400 -0.130 0.000 2.103 359 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 359 K C 1.305 177.661 176.600 -0.406 0.000 1.048 359 K CA 1.165 57.242 56.287 -0.350 0.000 0.930 359 K CB -0.202 31.946 32.500 -0.587 0.000 0.716 359 K HN 0.453 nan 8.250 nan 0.000 0.444 360 Y N -0.117 120.234 120.300 0.085 0.000 2.531 360 Y HA 0.395 4.944 4.550 -0.000 0.000 0.249 360 Y C 0.291 176.312 175.900 0.203 0.000 1.168 360 Y CA -0.430 57.742 58.100 0.120 0.000 1.226 360 Y CB 0.200 38.721 38.460 0.101 0.000 1.177 360 Y HN 0.009 nan 8.280 nan 0.000 0.527 361 A N 1.473 124.482 122.820 0.314 0.000 2.598 361 A HA 0.315 4.634 4.320 -0.000 0.000 0.239 361 A C 1.045 178.650 177.584 0.035 0.000 1.032 361 A CA 0.429 52.544 52.037 0.130 0.000 0.760 361 A CB -0.297 18.749 19.000 0.076 0.000 0.946 361 A HN 0.456 nan 8.150 nan 0.000 0.512 362 A N 0.000 122.776 122.820 -0.073 0.000 2.254 362 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 362 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 362 A CB 0.000 18.956 19.000 -0.072 0.000 0.831 362 A HN 0.000 nan 8.150 nan 0.000 0.486