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 2vmo_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAEGYPGRRY YGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA ASAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK ATIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.213 176.300 -0.145 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.626 32.600 0.044 0.000 1.302 2 K N 0.462 120.749 120.400 -0.188 0.000 2.344 2 K HA 0.233 4.568 4.320 0.026 0.000 0.200 2 K C 0.666 176.950 176.600 -0.527 0.000 1.132 2 K CA 0.788 56.816 56.287 -0.431 0.000 0.935 2 K CB 0.492 32.605 32.500 -0.647 0.000 1.089 2 K HN 0.648 nan 8.250 nan 0.000 0.496 3 Y N 0.102 120.325 120.300 -0.127 0.000 2.441 3 Y HA 0.053 4.607 4.550 0.006 0.000 0.288 3 Y C 1.819 177.639 175.900 -0.133 0.000 1.118 3 Y CA 0.013 58.046 58.100 -0.112 0.000 1.215 3 Y CB -0.087 38.329 38.460 -0.073 0.000 1.118 3 Y HN -0.009 nan 8.280 nan 0.000 0.547 4 L N 1.510 122.735 121.223 0.004 0.000 2.012 4 L HA -0.104 4.252 4.340 0.026 0.000 0.210 4 L C -0.895 175.864 176.870 -0.185 0.000 1.073 4 L CA 2.084 56.900 54.840 -0.039 0.000 0.748 4 L CB -1.613 40.472 42.059 0.044 0.000 0.891 4 L HN 0.008 nan 8.230 nan 0.000 0.431 5 P HA -0.216 nan 4.420 nan 0.000 0.216 5 P C 1.462 178.608 177.300 -0.257 0.000 1.150 5 P CA 1.431 64.106 63.100 -0.709 0.000 0.843 5 P CB 0.053 31.134 31.700 -1.031 0.000 0.787 6 Q N -0.306 119.377 119.800 -0.196 0.000 2.062 6 Q HA -0.184 4.171 4.340 0.026 0.000 0.196 6 Q C 2.350 178.326 176.000 -0.041 0.000 0.967 6 Q CA 1.596 57.341 55.803 -0.097 0.000 0.832 6 Q CB -0.904 27.781 28.738 -0.088 0.000 0.899 6 Q HN 0.009 nan 8.270 nan 0.000 0.442 7 Q N 0.254 120.041 119.800 -0.022 0.000 2.079 7 Q HA -0.062 4.293 4.340 0.026 0.000 0.200 7 Q C -0.329 175.679 176.000 0.013 0.000 0.974 7 Q CA 1.663 57.470 55.803 0.006 0.000 0.840 7 Q CB 0.240 28.992 28.738 0.023 0.000 0.898 7 Q HN 0.262 nan 8.270 nan 0.000 0.430 8 D N -1.344 119.070 120.400 0.022 0.000 2.517 8 D HA 0.209 4.865 4.640 0.026 0.000 0.263 8 D C -2.236 174.118 176.300 0.090 0.000 1.233 8 D CA -1.768 52.261 54.000 0.049 0.000 0.849 8 D CB 1.267 42.100 40.800 0.055 0.000 1.261 8 D HN -0.032 nan 8.370 nan 0.000 0.516 9 P HA -0.177 nan 4.420 nan 0.000 0.216 9 P C 1.421 178.799 177.300 0.131 0.000 1.153 9 P CA 1.347 64.519 63.100 0.121 0.000 0.858 9 P CB 0.518 32.261 31.700 0.072 0.000 0.789 10 Q N -0.858 118.991 119.800 0.081 0.000 2.020 10 Q HA -0.113 4.242 4.340 0.026 0.000 0.202 10 Q C 2.149 178.185 176.000 0.060 0.000 0.982 10 Q CA 1.419 57.256 55.803 0.057 0.000 0.838 10 Q CB -0.859 27.901 28.738 0.037 0.000 0.899 10 Q HN 0.104 nan 8.270 nan 0.000 0.423 11 V N 0.570 120.530 119.914 0.076 0.000 2.343 11 V HA -0.241 3.894 4.120 0.026 0.000 0.247 11 V C 1.949 178.105 176.094 0.105 0.000 1.051 11 V CA 1.721 64.066 62.300 0.074 0.000 1.036 11 V CB -0.609 31.257 31.823 0.072 0.000 0.654 11 V HN 0.307 nan 8.190 nan 0.000 0.451 12 F N 1.608 121.561 119.950 0.003 0.000 2.095 12 F HA -0.175 4.357 4.527 0.008 0.000 0.298 12 F C 2.300 178.100 175.800 0.001 0.000 1.104 12 F CA 1.387 59.388 58.000 0.002 0.000 1.232 12 F CB -0.704 38.297 39.000 0.001 0.000 0.987 12 F HN 0.078 nan 8.300 nan 0.000 0.475 13 A N 0.348 123.128 122.820 -0.067 0.000 1.908 13 A HA -0.114 4.221 4.320 0.026 0.000 0.218 13 A C 2.435 179.918 177.584 -0.169 0.000 1.181 13 A CA 2.088 54.032 52.037 -0.156 0.000 0.627 13 A CB -1.599 17.385 19.000 -0.026 0.000 0.818 13 A HN 0.518 nan 8.150 nan 0.000 0.445 14 A N -0.225 122.538 122.820 -0.095 0.000 1.898 14 A HA -0.040 4.296 4.320 0.026 0.000 0.216 14 A C 2.124 179.649 177.584 -0.099 0.000 1.181 14 A CA 1.431 53.424 52.037 -0.073 0.000 0.620 14 A CB -0.571 18.410 19.000 -0.030 0.000 0.819 14 A HN 0.497 nan 8.150 nan 0.000 0.442 15 I N -0.353 120.142 120.570 -0.124 0.000 2.226 15 I HA -0.219 3.966 4.170 0.026 0.000 0.245 15 I C 2.444 178.445 176.117 -0.193 0.000 1.100 15 I CA 1.248 62.474 61.300 -0.122 0.000 1.374 15 I CB -0.335 37.622 38.000 -0.071 0.000 1.057 15 I HN 0.307 nan 8.210 nan 0.000 0.413 16 E N 0.611 120.591 120.200 -0.367 0.000 2.110 16 E HA -0.235 4.130 4.350 0.026 0.000 0.193 16 E C 2.152 178.639 176.600 -0.188 0.000 0.988 16 E CA 1.152 57.338 56.400 -0.357 0.000 0.804 16 E CB -0.245 29.104 29.700 -0.584 0.000 0.745 16 E HN 0.592 nan 8.360 nan 0.000 0.458 17 Q N 0.345 120.054 119.800 -0.152 0.000 2.061 17 Q HA -0.217 4.139 4.340 0.026 0.000 0.204 17 Q C 2.152 178.121 176.000 -0.050 0.000 0.984 17 Q CA 1.684 57.438 55.803 -0.082 0.000 0.846 17 Q CB -0.117 28.583 28.738 -0.063 0.000 0.902 17 Q HN 0.094 nan 8.270 nan 0.000 0.421 18 E N 1.031 121.201 120.200 -0.050 0.000 2.077 18 E HA -0.201 4.165 4.350 0.026 0.000 0.193 18 E C 1.817 178.415 176.600 -0.002 0.000 0.989 18 E CA 1.352 57.742 56.400 -0.016 0.000 0.800 18 E CB -0.071 29.621 29.700 -0.013 0.000 0.746 18 E HN 0.176 nan 8.360 nan 0.000 0.452 19 R N 0.189 120.671 120.500 -0.029 0.000 2.073 19 R HA -0.123 4.233 4.340 0.026 0.000 0.234 19 R C 2.134 178.429 176.300 -0.008 0.000 1.134 19 R CA 1.881 57.969 56.100 -0.021 0.000 0.952 19 R CB -0.061 30.208 30.300 -0.052 0.000 0.850 19 R HN 0.074 nan 8.270 nan 0.000 0.433 20 K N -0.264 120.124 120.400 -0.020 0.000 2.097 20 K HA -0.126 4.210 4.320 0.026 0.000 0.205 20 K C 2.266 178.899 176.600 0.054 0.000 1.050 20 K CA 1.091 57.383 56.287 0.009 0.000 0.938 20 K CB -0.163 32.327 32.500 -0.018 0.000 0.718 20 K HN 0.128 nan 8.250 nan 0.000 0.442 21 R N 1.557 122.077 120.500 0.033 0.000 2.073 21 R HA -0.177 4.178 4.340 0.026 0.000 0.234 21 R C 2.095 178.432 176.300 0.061 0.000 1.134 21 R CA 1.705 57.831 56.100 0.042 0.000 0.952 21 R CB -0.058 30.260 30.300 0.031 0.000 0.850 21 R HN 0.287 nan 8.270 nan 0.000 0.433 22 Q N -1.285 118.559 119.800 0.074 0.000 2.181 22 Q HA -0.238 4.117 4.340 0.026 0.000 0.205 22 Q C 1.877 177.873 176.000 -0.007 0.000 0.980 22 Q CA 1.893 57.758 55.803 0.105 0.000 0.862 22 Q CB -0.171 28.657 28.738 0.149 0.000 0.905 22 Q HN 0.552 nan 8.270 nan 0.000 0.429 23 H N -0.332 118.683 119.070 -0.092 0.000 2.403 23 H HA 0.092 4.663 4.556 0.025 0.000 0.298 23 H C 1.786 177.090 175.328 -0.040 0.000 1.059 23 H CA 1.361 57.342 56.048 -0.111 0.000 1.363 23 H CB 0.118 29.826 29.762 -0.091 0.000 1.410 23 H HN 0.205 nan 8.280 nan 0.000 0.528 24 A N 0.957 123.764 122.820 -0.023 0.000 1.930 24 A HA 0.066 4.401 4.320 0.026 0.000 0.215 24 A C 0.989 178.548 177.584 -0.040 0.000 1.176 24 A CA 0.426 52.443 52.037 -0.033 0.000 0.632 24 A CB 0.034 19.066 19.000 0.053 0.000 0.819 24 A HN 0.158 nan 8.150 nan 0.000 0.445 25 K N -0.165 120.230 120.400 -0.009 0.000 2.098 25 K HA 0.484 4.820 4.320 0.026 0.000 0.257 25 K C -0.724 175.885 176.600 0.015 0.000 0.999 25 K CA -0.336 55.961 56.287 0.016 0.000 0.924 25 K CB 0.902 33.424 32.500 0.037 0.000 1.028 25 K HN 0.247 nan 8.250 nan 0.000 0.466 26 I N 2.070 122.660 120.570 0.034 0.000 2.291 26 I HA 0.021 4.207 4.170 0.026 0.000 0.290 26 I C 0.358 176.488 176.117 0.021 0.000 1.050 26 I CA -0.563 60.756 61.300 0.032 0.000 1.245 26 I CB 0.659 38.714 38.000 0.092 0.000 1.405 26 I HN 0.407 nan 8.210 nan 0.000 0.478 27 E N 7.321 127.532 120.200 0.018 0.000 2.052 27 E HA 0.221 4.586 4.350 0.026 0.000 0.283 27 E C -0.107 176.481 176.600 -0.020 0.000 1.071 27 E CA 0.160 56.570 56.400 0.017 0.000 0.851 27 E CB 0.569 30.302 29.700 0.054 0.000 1.066 27 E HN 0.578 nan 8.360 nan 0.000 0.396 28 L N 4.968 126.184 121.223 -0.012 0.000 2.808 28 L HA 0.350 4.706 4.340 0.026 0.000 0.246 28 L C 0.283 177.147 176.870 -0.009 0.000 1.153 28 L CA -0.414 54.419 54.840 -0.013 0.000 0.956 28 L CB 0.111 42.164 42.059 -0.010 0.000 1.270 28 L HN 0.538 nan 8.230 nan 0.000 0.528 29 I N 1.231 121.794 120.570 -0.012 0.000 2.752 29 I HA -0.115 4.070 4.170 0.026 0.000 0.286 29 I C 1.677 177.812 176.117 0.030 0.000 1.180 29 I CA 0.061 61.364 61.300 0.005 0.000 1.404 29 I CB 1.215 39.213 38.000 -0.003 0.000 1.389 29 I HN 0.182 nan 8.210 nan 0.000 0.549 30 A N 4.687 127.555 122.820 0.081 0.000 2.070 30 A HA -0.159 4.177 4.320 0.026 0.000 0.220 30 A C 2.181 179.908 177.584 0.239 0.000 1.159 30 A CA 1.860 54.001 52.037 0.172 0.000 0.656 30 A CB -0.427 18.666 19.000 0.154 0.000 0.800 30 A HN 0.805 nan 8.150 nan 0.000 0.453 31 S N -0.933 114.851 115.700 0.139 0.000 2.593 31 S HA 0.163 4.649 4.470 0.026 0.000 0.217 31 S C 0.440 175.003 174.600 -0.063 0.000 0.966 31 S CA -0.219 57.939 58.200 -0.070 0.000 0.914 31 S CB 0.042 63.209 63.200 -0.055 0.000 0.776 31 S HN 0.623 nan 8.310 nan 0.000 0.523 32 E N 1.078 121.246 120.200 -0.053 0.000 2.250 32 E HA 0.552 4.918 4.350 0.026 0.000 0.265 32 E C -0.552 175.922 176.600 -0.209 0.000 1.033 32 E CA -0.743 55.579 56.400 -0.130 0.000 0.888 32 E CB 0.730 30.327 29.700 -0.171 0.000 1.151 32 E HN 0.165 nan 8.360 nan 0.000 0.412 33 N N -0.052 118.444 118.700 -0.341 0.000 3.179 33 N HA 0.325 5.080 4.740 0.026 0.000 0.250 33 N C -1.972 173.173 175.510 -0.608 0.000 1.507 33 N CA -0.548 52.264 53.050 -0.397 0.000 0.883 33 N CB 0.870 39.303 38.487 -0.091 0.000 1.435 33 N HN 0.211 nan 8.380 nan 0.000 0.532 34 F N 1.069 121.025 119.950 0.009 0.000 2.460 34 F HA 0.374 4.912 4.527 0.018 0.000 0.341 34 F C 0.677 176.468 175.800 -0.014 0.000 1.130 34 F CA -0.868 57.128 58.000 -0.007 0.000 0.962 34 F CB 1.220 40.208 39.000 -0.020 0.000 1.171 34 F HN 0.159 nan 8.300 nan 0.000 0.436 35 V N 0.490 120.496 119.914 0.153 0.000 3.003 35 V HA 0.630 4.766 4.120 0.026 0.000 0.305 35 V C 0.423 176.559 176.094 0.070 0.000 1.078 35 V CA -0.810 61.539 62.300 0.082 0.000 1.083 35 V CB 1.086 32.938 31.823 0.048 0.000 1.039 35 V HN 0.834 nan 8.190 nan 0.000 0.481 36 S N 3.005 118.727 115.700 0.036 0.000 2.600 36 S HA 0.315 4.801 4.470 0.026 0.000 0.265 36 S C 0.928 175.539 174.600 0.018 0.000 1.325 36 S CA -0.095 58.118 58.200 0.022 0.000 1.002 36 S CB 0.637 63.842 63.200 0.009 0.000 0.921 36 S HN 0.772 nan 8.310 nan 0.000 0.554 37 R N 0.897 121.405 120.500 0.013 0.000 2.096 37 R HA -0.081 4.274 4.340 0.026 0.000 0.235 37 R C 2.596 178.899 176.300 0.006 0.000 1.127 37 R CA 1.358 57.465 56.100 0.011 0.000 0.968 37 R CB -1.006 29.299 30.300 0.008 0.000 0.861 37 R HN 0.829 nan 8.270 nan 0.000 0.440 38 A N 0.662 123.482 122.820 0.001 0.000 1.883 38 A HA -0.140 4.196 4.320 0.026 0.000 0.217 38 A C 2.344 179.919 177.584 -0.014 0.000 1.186 38 A CA 1.510 53.543 52.037 -0.007 0.000 0.624 38 A CB -0.616 18.378 19.000 -0.010 0.000 0.822 38 A HN 0.124 nan 8.150 nan 0.000 0.444 39 V N -0.083 119.821 119.914 -0.016 0.000 2.287 39 V HA -0.341 3.794 4.120 0.026 0.000 0.248 39 V C 2.673 178.757 176.094 -0.017 0.000 1.053 39 V CA 2.367 64.650 62.300 -0.029 0.000 1.027 39 V CB -0.675 31.132 31.823 -0.027 0.000 0.646 39 V HN 0.585 nan 8.190 nan 0.000 0.447 40 M N -0.842 118.758 119.600 -0.000 0.000 2.117 40 M HA -0.211 4.285 4.480 0.026 0.000 0.262 40 M C 2.221 178.528 176.300 0.012 0.000 1.065 40 M CA 1.861 57.167 55.300 0.010 0.000 1.114 40 M CB -0.544 32.069 32.600 0.021 0.000 1.361 40 M HN 0.370 nan 8.290 nan 0.000 0.408 41 E N 0.391 120.595 120.200 0.008 0.000 2.085 41 E HA -0.194 4.172 4.350 0.026 0.000 0.194 41 E C 2.075 178.677 176.600 0.004 0.000 0.994 41 E CA 1.324 57.728 56.400 0.007 0.000 0.801 41 E CB -0.157 29.545 29.700 0.003 0.000 0.743 41 E HN 0.516 nan 8.360 nan 0.000 0.453 42 A N 1.292 124.110 122.820 -0.003 0.000 1.902 42 A HA -0.250 4.086 4.320 0.026 0.000 0.217 42 A C 2.047 179.645 177.584 0.024 0.000 1.181 42 A CA 1.365 53.400 52.037 -0.004 0.000 0.623 42 A CB -0.427 18.555 19.000 -0.030 0.000 0.818 42 A HN 0.198 nan 8.150 nan 0.000 0.443 43 Q N -0.964 118.851 119.800 0.025 0.000 2.224 43 Q HA -0.095 4.261 4.340 0.026 0.000 0.203 43 Q C 1.713 177.782 176.000 0.115 0.000 0.970 43 Q CA 1.098 56.948 55.803 0.077 0.000 0.865 43 Q CB -0.307 28.452 28.738 0.036 0.000 0.922 43 Q HN 0.655 nan 8.270 nan 0.000 0.445 44 G N 1.196 110.024 108.800 0.047 0.000 3.314 44 G HA2 0.048 4.023 3.960 0.026 0.000 0.238 44 G HA3 0.048 4.023 3.960 0.026 0.000 0.238 44 G C 0.339 175.230 174.900 -0.016 0.000 1.184 44 G CA 0.026 45.135 45.100 0.015 0.000 0.806 44 G HN 0.264 nan 8.290 nan 0.000 0.536 45 S N -0.777 114.917 115.700 -0.010 0.000 2.707 45 S HA 0.285 4.771 4.470 0.026 0.000 0.276 45 S C 1.561 176.112 174.600 -0.081 0.000 1.179 45 S CA 0.047 58.228 58.200 -0.032 0.000 0.992 45 S CB 1.503 64.698 63.200 -0.008 0.000 1.030 45 S HN 0.542 nan 8.310 nan 0.000 0.554 46 V N -0.798 119.070 119.914 -0.076 0.000 3.383 46 V HA 0.041 4.176 4.120 0.026 0.000 0.272 46 V C 1.638 177.672 176.094 -0.099 0.000 1.181 46 V CA 0.859 63.101 62.300 -0.096 0.000 1.171 46 V CB -1.416 30.363 31.823 -0.073 0.000 0.800 46 V HN 0.685 nan 8.190 nan 0.000 0.515 47 L N 0.954 122.136 121.223 -0.068 0.000 2.353 47 L HA -0.075 4.280 4.340 0.026 0.000 0.220 47 L C 2.743 179.561 176.870 -0.088 0.000 1.133 47 L CA 2.254 57.074 54.840 -0.033 0.000 0.798 47 L CB -1.267 40.815 42.059 0.039 0.000 0.922 47 L HN 0.529 nan 8.230 nan 0.000 0.445 48 T N -1.006 113.356 114.554 -0.320 0.000 2.881 48 T HA -0.186 4.179 4.350 0.026 0.000 0.270 48 T C 1.588 176.123 174.700 -0.276 0.000 1.068 48 T CA 1.776 63.544 62.100 -0.553 0.000 1.131 48 T CB -0.382 67.933 68.868 -0.921 0.000 0.871 48 T HN 0.528 nan 8.240 nan 0.000 0.479 49 N N -0.029 118.555 118.700 -0.193 0.000 2.512 49 N HA 0.011 4.767 4.740 0.026 0.000 0.183 49 N C 0.366 175.805 175.510 -0.117 0.000 1.073 49 N CA 0.244 53.213 53.050 -0.135 0.000 0.911 49 N CB 0.125 38.555 38.487 -0.095 0.000 0.964 49 N HN 0.136 nan 8.380 nan 0.000 0.447 50 K N 0.796 121.117 120.400 -0.132 0.000 2.263 50 K HA 0.155 4.490 4.320 0.026 0.000 0.272 50 K C -1.438 175.024 176.600 -0.230 0.000 1.033 50 K CA -0.495 55.718 56.287 -0.124 0.000 0.884 50 K CB 0.178 32.635 32.500 -0.073 0.000 1.107 50 K HN -0.066 nan 8.250 nan 0.000 0.460 51 Y N 2.384 122.488 120.300 -0.326 0.000 2.465 51 Y HA 0.308 4.877 4.550 0.033 0.000 0.331 51 Y C 0.554 176.093 175.900 -0.601 0.000 1.102 51 Y CA 0.531 58.275 58.100 -0.594 0.000 1.358 51 Y CB 1.286 39.104 38.460 -1.071 0.000 1.213 51 Y HN 0.715 nan 8.280 nan 0.000 0.525 52 A N 4.180 126.859 122.820 -0.235 0.000 3.045 52 A HA 0.247 4.583 4.320 0.026 0.000 0.244 52 A C -0.218 177.307 177.584 -0.098 0.000 0.917 52 A CA -0.602 51.373 52.037 -0.103 0.000 1.075 52 A CB -0.309 18.626 19.000 -0.108 0.000 1.202 52 A HN 0.771 nan 8.150 nan 0.000 0.486 53 E N 0.325 120.533 120.200 0.014 0.000 2.481 53 E HA 0.358 4.724 4.350 0.026 0.000 0.263 53 E C 1.011 177.475 176.600 -0.227 0.000 0.992 53 E CA 1.391 57.589 56.400 -0.337 0.000 0.938 53 E CB 0.542 30.084 29.700 -0.264 0.000 0.933 53 E HN 1.115 nan 8.360 nan 0.000 0.453 54 G N 1.537 110.031 108.800 -0.510 0.000 2.472 54 G HA2 -0.219 3.756 3.960 0.026 0.000 0.205 54 G HA3 -0.219 3.756 3.960 0.026 0.000 0.205 54 G C -1.440 173.122 174.900 -0.564 0.000 1.270 54 G CA -0.670 44.327 45.100 -0.171 0.000 0.974 54 G HN 0.443 nan 8.290 nan 0.000 0.542 55 Y N -0.132 120.167 120.300 -0.002 0.000 2.605 55 Y HA 0.609 5.175 4.550 0.027 0.000 0.343 55 Y C -2.043 173.848 175.900 -0.015 0.000 1.036 55 Y CA -1.849 56.263 58.100 0.019 0.000 1.065 55 Y CB 1.950 40.454 38.460 0.074 0.000 1.288 55 Y HN 0.434 nan 8.280 nan 0.000 0.481 56 P HA 0.045 nan 4.420 nan 0.000 0.261 56 P C 0.619 177.952 177.300 0.054 0.000 1.183 56 P CA 2.113 65.257 63.100 0.074 0.000 0.761 56 P CB 0.236 31.985 31.700 0.083 0.000 0.785 57 G N 3.108 111.912 108.800 0.007 0.000 2.184 57 G HA2 -0.272 3.703 3.960 0.026 0.000 0.264 57 G HA3 -0.272 3.703 3.960 0.026 0.000 0.264 57 G C 0.478 175.363 174.900 -0.026 0.000 0.975 57 G CA -0.189 44.906 45.100 -0.009 0.000 0.642 57 G HN 0.559 nan 8.290 nan 0.000 0.536 58 R N 0.100 120.579 120.500 -0.034 0.000 2.718 58 R HA 0.270 4.625 4.340 0.026 0.000 0.307 58 R C 0.314 176.457 176.300 -0.261 0.000 1.244 58 R CA -0.434 55.606 56.100 -0.100 0.000 1.348 58 R CB 0.383 30.683 30.300 0.001 0.000 1.304 58 R HN 0.279 nan 8.270 nan 0.000 0.663 59 R N 0.035 120.377 120.500 -0.262 0.000 2.596 59 R HA 0.307 4.663 4.340 0.026 0.000 0.267 59 R C 0.325 176.356 176.300 -0.448 0.000 1.026 59 R CA -0.479 55.445 56.100 -0.294 0.000 1.087 59 R CB 0.608 30.863 30.300 -0.075 0.000 1.132 59 R HN 0.149 nan 8.270 nan 0.000 0.531 60 Y N -0.377 119.948 120.300 0.042 0.000 2.524 60 Y HA 0.261 4.826 4.550 0.025 0.000 0.266 60 Y C -0.390 175.302 175.900 -0.347 0.000 1.180 60 Y CA -0.132 57.901 58.100 -0.111 0.000 1.244 60 Y CB 0.174 38.563 38.460 -0.118 0.000 1.125 60 Y HN 0.388 nan 8.280 nan 0.000 0.524 61 Y N -0.954 119.370 120.300 0.041 0.000 2.492 61 Y HA 0.598 5.166 4.550 0.031 0.000 0.346 61 Y C 0.777 176.671 175.900 -0.011 0.000 0.997 61 Y CA -1.865 56.250 58.100 0.024 0.000 1.025 61 Y CB 1.325 39.809 38.460 0.039 0.000 1.263 61 Y HN -0.018 nan 8.280 nan 0.000 0.454 62 G N 0.096 108.976 108.800 0.132 0.000 2.634 62 G HA2 0.391 4.366 3.960 0.026 0.000 0.255 62 G HA3 0.391 4.366 3.960 0.026 0.000 0.255 62 G C 0.850 175.783 174.900 0.054 0.000 1.205 62 G CA 0.016 45.151 45.100 0.059 0.000 0.884 62 G HN 1.472 nan 8.290 nan 0.000 0.549 63 G N -2.172 106.625 108.800 -0.004 0.000 2.143 63 G HA2 -0.289 3.687 3.960 0.026 0.000 0.248 63 G HA3 -0.289 3.687 3.960 0.026 0.000 0.248 63 G C 0.901 175.765 174.900 -0.061 0.000 0.991 63 G CA 0.562 45.646 45.100 -0.027 0.000 0.689 63 G HN 0.943 nan 8.290 nan 0.000 0.522 64 C N 0.341 119.599 119.300 -0.071 0.000 2.673 64 C HA 0.336 4.811 4.460 0.026 0.000 0.274 64 C C 2.287 177.186 174.990 -0.151 0.000 1.276 64 C CA 0.444 59.416 59.018 -0.075 0.000 1.701 64 C CB -0.563 27.155 27.740 -0.036 0.000 1.836 64 C HN 0.643 nan 8.230 nan 0.000 0.596 65 E N 0.837 120.849 120.200 -0.312 0.000 2.097 65 E HA -0.219 4.147 4.350 0.026 0.000 0.196 65 E C 1.230 177.608 176.600 -0.369 0.000 1.000 65 E CA 1.898 58.033 56.400 -0.442 0.000 0.804 65 E CB -0.254 28.998 29.700 -0.747 0.000 0.740 65 E HN 0.808 nan 8.360 nan 0.000 0.454 66 Y N -0.790 119.509 120.300 -0.001 0.000 2.347 66 Y HA -0.044 4.521 4.550 0.025 0.000 0.294 66 Y C 2.335 178.231 175.900 -0.007 0.000 1.117 66 Y CA 0.393 58.490 58.100 -0.004 0.000 1.184 66 Y CB -0.275 38.181 38.460 -0.007 0.000 1.047 66 Y HN 0.008 nan 8.280 nan 0.000 0.546 67 V N -1.770 118.203 119.914 0.099 0.000 2.594 67 V HA -0.205 3.931 4.120 0.026 0.000 0.253 67 V C 1.347 177.454 176.094 0.022 0.000 1.069 67 V CA 2.027 64.354 62.300 0.045 0.000 1.082 67 V CB -0.474 31.356 31.823 0.011 0.000 0.680 67 V HN 0.193 nan 8.190 nan 0.000 0.469 68 D N 0.967 121.370 120.400 0.005 0.000 2.117 68 D HA -0.071 4.585 4.640 0.026 0.000 0.197 68 D C 2.073 178.391 176.300 0.030 0.000 0.987 68 D CA 1.930 55.935 54.000 0.007 0.000 0.829 68 D CB -0.279 40.510 40.800 -0.018 0.000 0.961 68 D HN 0.530 nan 8.370 nan 0.000 0.460 69 I N 0.212 120.810 120.570 0.046 0.000 2.163 69 I HA -0.244 3.942 4.170 0.026 0.000 0.243 69 I C 2.379 178.527 176.117 0.051 0.000 1.085 69 I CA 0.625 61.961 61.300 0.060 0.000 1.347 69 I CB -0.203 37.855 38.000 0.097 0.000 1.044 69 I HN -0.091 nan 8.210 nan 0.000 0.408 70 V N 0.720 120.663 119.914 0.049 0.000 2.287 70 V HA -0.328 3.807 4.120 0.026 0.000 0.248 70 V C 2.505 178.613 176.094 0.024 0.000 1.053 70 V CA 2.327 64.644 62.300 0.028 0.000 1.027 70 V CB -0.637 31.198 31.823 0.021 0.000 0.646 70 V HN 0.493 nan 8.190 nan 0.000 0.447 71 E N -0.337 119.879 120.200 0.028 0.000 2.110 71 E HA -0.232 4.134 4.350 0.026 0.000 0.193 71 E C 2.237 178.873 176.600 0.060 0.000 0.988 71 E CA 1.224 57.647 56.400 0.039 0.000 0.804 71 E CB -0.022 29.702 29.700 0.041 0.000 0.745 71 E HN 0.556 nan 8.360 nan 0.000 0.458 72 E N 0.444 120.678 120.200 0.057 0.000 2.106 72 E HA -0.160 4.205 4.350 0.026 0.000 0.192 72 E C 2.299 178.935 176.600 0.059 0.000 0.984 72 E CA 0.615 57.050 56.400 0.058 0.000 0.806 72 E CB -0.123 29.608 29.700 0.050 0.000 0.750 72 E HN 0.401 nan 8.360 nan 0.000 0.458 73 L N 0.555 121.810 121.223 0.054 0.000 2.012 73 L HA -0.211 4.145 4.340 0.026 0.000 0.210 73 L C 2.607 179.535 176.870 0.097 0.000 1.073 73 L CA 1.291 56.166 54.840 0.058 0.000 0.748 73 L CB -0.579 41.504 42.059 0.039 0.000 0.891 73 L HN 0.074 nan 8.230 nan 0.000 0.431 74 A N 0.094 122.975 122.820 0.101 0.000 1.883 74 A HA -0.234 4.102 4.320 0.026 0.000 0.217 74 A C 2.385 180.139 177.584 0.283 0.000 1.186 74 A CA 1.754 53.914 52.037 0.206 0.000 0.624 74 A CB -0.535 18.523 19.000 0.098 0.000 0.822 74 A HN 0.334 nan 8.150 nan 0.000 0.444 75 R N -0.779 119.809 120.500 0.147 0.000 2.073 75 R HA -0.096 4.259 4.340 0.026 0.000 0.234 75 R C 2.100 178.426 176.300 0.044 0.000 1.134 75 R CA 1.331 57.476 56.100 0.074 0.000 0.952 75 R CB -0.330 29.984 30.300 0.023 0.000 0.850 75 R HN 0.489 nan 8.270 nan 0.000 0.433 76 E N 0.676 120.908 120.200 0.052 0.000 2.072 76 E HA -0.137 4.228 4.350 0.026 0.000 0.191 76 E C 2.040 178.653 176.600 0.021 0.000 0.985 76 E CA 1.090 57.508 56.400 0.031 0.000 0.801 76 E CB -0.095 29.624 29.700 0.032 0.000 0.750 76 E HN 0.297 nan 8.360 nan 0.000 0.452 77 R N 0.521 121.057 120.500 0.060 0.000 2.092 77 R HA -0.018 4.337 4.340 0.026 0.000 0.231 77 R C 2.329 178.580 176.300 -0.082 0.000 1.119 77 R CA 1.138 57.263 56.100 0.041 0.000 0.970 77 R CB -0.284 30.108 30.300 0.154 0.000 0.864 77 R HN 0.098 nan 8.270 nan 0.000 0.440 78 A N 1.470 124.217 122.820 -0.121 0.000 1.902 78 A HA -0.194 4.142 4.320 0.026 0.000 0.217 78 A C 1.871 179.401 177.584 -0.091 0.000 1.181 78 A CA 1.418 53.267 52.037 -0.314 0.000 0.623 78 A CB -0.215 18.600 19.000 -0.308 0.000 0.818 78 A HN 0.187 nan 8.150 nan 0.000 0.443 79 K N -0.760 119.611 120.400 -0.048 0.000 2.097 79 K HA -0.155 4.181 4.320 0.026 0.000 0.205 79 K C 2.359 178.938 176.600 -0.036 0.000 1.050 79 K CA 1.451 57.729 56.287 -0.014 0.000 0.938 79 K CB -0.148 32.347 32.500 -0.008 0.000 0.718 79 K HN 0.645 nan 8.250 nan 0.000 0.442 80 Q N 0.512 120.273 119.800 -0.065 0.000 2.084 80 Q HA -0.173 4.183 4.340 0.026 0.000 0.202 80 Q C 1.975 177.879 176.000 -0.160 0.000 0.978 80 Q CA 1.116 56.868 55.803 -0.085 0.000 0.844 80 Q CB 0.059 28.755 28.738 -0.070 0.000 0.898 80 Q HN 0.139 nan 8.270 nan 0.000 0.426 81 L N -0.753 120.298 121.223 -0.286 0.000 2.093 81 L HA -0.082 4.273 4.340 0.026 0.000 0.208 81 L C 1.229 177.689 176.870 -0.683 0.000 1.085 81 L CA 1.770 56.263 54.840 -0.577 0.000 0.755 81 L CB -0.238 41.280 42.059 -0.902 0.000 0.904 81 L HN 0.256 nan 8.230 nan 0.000 0.435 82 F N -1.449 118.430 119.950 -0.119 0.000 2.728 82 F HA 0.410 4.951 4.527 0.023 0.000 0.314 82 F C 1.709 177.470 175.800 -0.065 0.000 1.094 82 F CA 0.270 58.216 58.000 -0.090 0.000 1.217 82 F CB -0.210 38.716 39.000 -0.123 0.000 1.056 82 F HN 0.062 nan 8.300 nan 0.000 0.577 83 G N 1.232 110.071 108.800 0.065 0.000 2.160 83 G HA2 -0.123 3.852 3.960 0.026 0.000 0.251 83 G HA3 -0.123 3.852 3.960 0.026 0.000 0.251 83 G C 0.327 175.246 174.900 0.032 0.000 1.008 83 G CA 0.042 45.160 45.100 0.030 0.000 0.724 83 G HN 0.647 nan 8.290 nan 0.000 0.514 84 A N -0.598 122.252 122.820 0.050 0.000 2.322 84 A HA 0.719 5.054 4.320 0.026 0.000 0.269 84 A C 1.101 178.704 177.584 0.031 0.000 1.094 84 A CA 0.627 52.683 52.037 0.032 0.000 0.807 84 A CB 0.465 19.482 19.000 0.028 0.000 1.047 84 A HN 0.426 nan 8.150 nan 0.000 0.487 85 E N -0.638 119.587 120.200 0.041 0.000 2.216 85 E HA -0.040 4.326 4.350 0.026 0.000 0.192 85 E C -0.157 176.516 176.600 0.123 0.000 0.988 85 E CA 0.990 57.423 56.400 0.056 0.000 0.834 85 E CB 0.071 29.792 29.700 0.035 0.000 0.772 85 E HN 0.747 nan 8.360 nan 0.000 0.479 86 H N -1.096 117.981 119.070 0.012 0.000 2.974 86 H HA 0.552 5.124 4.556 0.027 0.000 0.366 86 H C -1.767 173.578 175.328 0.028 0.000 1.155 86 H CA -0.569 55.491 56.048 0.020 0.000 1.186 86 H CB 1.659 31.436 29.762 0.025 0.000 1.799 86 H HN -0.012 nan 8.280 nan 0.000 0.541 87 A N 3.921 126.398 122.820 -0.572 0.000 2.386 87 A HA 0.459 4.794 4.320 0.026 0.000 0.311 87 A C -1.113 176.178 177.584 -0.488 0.000 1.068 87 A CA -0.858 50.961 52.037 -0.362 0.000 0.743 87 A CB 1.253 20.160 19.000 -0.157 0.000 1.258 87 A HN 0.711 nan 8.150 nan 0.000 0.429 88 N N 1.966 120.572 118.700 -0.156 0.000 2.483 88 N HA 0.308 5.063 4.740 0.026 0.000 0.267 88 N C 0.064 175.615 175.510 0.069 0.000 0.998 88 N CA -0.173 52.885 53.050 0.013 0.000 0.918 88 N CB 1.899 40.464 38.487 0.129 0.000 1.215 88 N HN 0.707 nan 8.380 nan 0.000 0.500 89 V N 1.336 121.312 119.914 0.104 0.000 3.444 89 V HA 0.215 4.351 4.120 0.026 0.000 0.308 89 V C 1.291 177.427 176.094 0.070 0.000 1.371 89 V CA 0.312 62.681 62.300 0.115 0.000 1.141 89 V CB -0.078 31.838 31.823 0.155 0.000 1.037 89 V HN 0.540 nan 8.190 nan 0.000 0.433 90 Q N 0.662 120.503 119.800 0.068 0.000 2.331 90 Q HA 0.165 4.520 4.340 0.026 0.000 0.203 90 Q C -1.555 174.389 176.000 -0.093 0.000 0.944 90 Q CA -0.346 55.451 55.803 -0.010 0.000 0.892 90 Q CB -0.811 27.920 28.738 -0.012 0.000 0.983 90 Q HN 0.561 nan 8.270 nan 0.000 0.482 91 P HA -0.096 nan 4.420 nan 0.000 0.264 91 P C -0.088 177.178 177.300 -0.056 0.000 1.193 91 P CA 0.534 63.572 63.100 -0.102 0.000 0.763 91 P CB 0.426 32.110 31.700 -0.027 0.000 0.810 92 H N 0.489 119.553 119.070 -0.010 0.000 2.521 92 H HA 0.013 4.584 4.556 0.026 0.000 0.286 92 H C 0.981 176.303 175.328 -0.011 0.000 1.034 92 H CA 1.125 57.156 56.048 -0.028 0.000 1.278 92 H CB 0.054 29.795 29.762 -0.035 0.000 1.386 92 H HN 0.505 nan 8.280 nan 0.000 0.567 93 S N -2.927 112.844 115.700 0.119 0.000 2.636 93 S HA 0.386 4.872 4.470 0.026 0.000 0.266 93 S C 1.293 175.947 174.600 0.090 0.000 1.147 93 S CA -0.386 57.882 58.200 0.114 0.000 0.815 93 S CB 1.036 64.297 63.200 0.102 0.000 1.119 93 S HN 0.093 nan 8.310 nan 0.000 0.470 94 G N 0.751 109.611 108.800 0.101 0.000 2.422 94 G HA2 0.103 4.078 3.960 0.026 0.000 0.218 94 G HA3 0.103 4.078 3.960 0.026 0.000 0.218 94 G C 1.535 176.474 174.900 0.065 0.000 1.146 94 G CA 1.219 46.341 45.100 0.037 0.000 0.769 94 G HN 1.373 nan 8.290 nan 0.000 0.547 95 A N 0.378 123.269 122.820 0.119 0.000 1.873 95 A HA -0.175 4.160 4.320 0.026 0.000 0.218 95 A C 2.381 180.033 177.584 0.114 0.000 1.193 95 A CA 2.330 54.481 52.037 0.190 0.000 0.629 95 A CB -0.509 18.607 19.000 0.193 0.000 0.826 95 A HN 0.350 nan 8.150 nan 0.000 0.447 96 Q N -0.614 119.208 119.800 0.035 0.000 2.167 96 Q HA 0.098 4.453 4.340 0.026 0.000 0.202 96 Q C 2.293 178.267 176.000 -0.044 0.000 0.970 96 Q CA 1.584 57.365 55.803 -0.037 0.000 0.855 96 Q CB -0.661 28.055 28.738 -0.036 0.000 0.911 96 Q HN 0.661 nan 8.270 nan 0.000 0.438 97 A N 0.861 123.668 122.820 -0.023 0.000 1.877 97 A HA -0.241 4.094 4.320 0.026 0.000 0.216 97 A C 1.809 179.333 177.584 -0.100 0.000 1.186 97 A CA 1.822 53.833 52.037 -0.045 0.000 0.620 97 A CB -0.638 18.343 19.000 -0.031 0.000 0.822 97 A HN 0.347 nan 8.150 nan 0.000 0.443 98 N N -0.612 118.028 118.700 -0.100 0.000 2.084 98 N HA -0.152 4.604 4.740 0.026 0.000 0.190 98 N C 1.730 176.994 175.510 -0.410 0.000 1.030 98 N CA 1.664 54.534 53.050 -0.301 0.000 0.849 98 N CB -0.545 37.855 38.487 -0.145 0.000 1.012 98 N HN 0.627 nan 8.380 nan 0.000 0.423 99 M N 0.610 120.215 119.600 0.009 0.000 2.106 99 M HA -0.187 4.308 4.480 0.026 0.000 0.259 99 M C 1.821 178.164 176.300 0.071 0.000 1.068 99 M CA 1.801 57.179 55.300 0.130 0.000 1.100 99 M CB -0.031 32.425 32.600 -0.239 0.000 1.351 99 M HN 0.201 nan 8.290 nan 0.000 0.404 100 A N -0.679 122.119 122.820 -0.036 0.000 1.898 100 A HA -0.094 4.241 4.320 0.026 0.000 0.216 100 A C 2.013 179.584 177.584 -0.021 0.000 1.181 100 A CA 1.713 53.755 52.037 0.008 0.000 0.620 100 A CB -1.005 17.986 19.000 -0.015 0.000 0.819 100 A HN 0.423 nan 8.150 nan 0.000 0.442 101 V N -0.914 118.882 119.914 -0.198 0.000 2.295 101 V HA -0.268 3.868 4.120 0.026 0.000 0.246 101 V C 2.441 178.362 176.094 -0.289 0.000 1.049 101 V CA 1.885 63.938 62.300 -0.413 0.000 1.024 101 V CB -1.128 30.384 31.823 -0.518 0.000 0.648 101 V HN 0.631 nan 8.190 nan 0.000 0.447 102 Y N -0.803 119.424 120.300 -0.122 0.000 2.165 102 Y HA -0.229 4.337 4.550 0.027 0.000 0.286 102 Y C 2.302 178.189 175.900 -0.021 0.000 1.155 102 Y CA 1.062 59.071 58.100 -0.152 0.000 1.164 102 Y CB -1.296 37.179 38.460 0.025 0.000 0.978 102 Y HN 0.282 nan 8.280 nan 0.000 0.513 103 F N 0.658 120.701 119.950 0.156 0.000 2.216 103 F HA -0.202 4.341 4.527 0.027 0.000 0.300 103 F C 2.182 177.985 175.800 0.004 0.000 1.085 103 F CA 1.830 59.904 58.000 0.123 0.000 1.326 103 F CB -0.467 38.585 39.000 0.087 0.000 1.027 103 F HN -0.040 nan 8.300 nan 0.000 0.497 104 T N -0.592 113.935 114.554 -0.046 0.000 2.770 104 T HA -0.110 4.256 4.350 0.026 0.000 0.263 104 T C 1.937 176.480 174.700 -0.262 0.000 1.039 104 T CA 2.004 63.997 62.100 -0.178 0.000 1.142 104 T CB -0.458 68.250 68.868 -0.267 0.000 0.868 104 T HN 0.244 nan 8.240 nan 0.000 0.435 105 V N -1.798 117.906 119.914 -0.351 0.000 3.645 105 V HA 0.487 4.623 4.120 0.026 0.000 0.275 105 V C 0.380 176.349 176.094 -0.209 0.000 1.356 105 V CA -0.169 61.906 62.300 -0.375 0.000 1.051 105 V CB -0.466 30.898 31.823 -0.766 0.000 0.828 105 V HN 0.224 nan 8.190 nan 0.000 0.441 106 L N 0.845 121.957 121.223 -0.184 0.000 2.330 106 L HA 0.686 5.041 4.340 0.026 0.000 0.271 106 L C -0.152 176.739 176.870 0.036 0.000 1.013 106 L CA -0.483 54.288 54.840 -0.116 0.000 0.816 106 L CB 1.925 43.765 42.059 -0.366 0.000 1.287 106 L HN 0.115 nan 8.230 nan 0.000 0.435 107 E N -0.221 120.037 120.200 0.097 0.000 2.222 107 E HA 0.204 4.570 4.350 0.026 0.000 0.267 107 E C -0.662 176.103 176.600 0.275 0.000 0.963 107 E CA -0.818 55.675 56.400 0.154 0.000 0.837 107 E CB 1.260 31.009 29.700 0.082 0.000 1.183 107 E HN 0.451 nan 8.360 nan 0.000 0.403 108 H N 0.913 120.061 119.070 0.131 0.000 3.167 108 H HA -0.120 4.451 4.556 0.026 0.000 0.306 108 H C 0.869 176.231 175.328 0.057 0.000 0.965 108 H CA 1.980 58.048 56.048 0.034 0.000 1.408 108 H CB 0.166 29.922 29.762 -0.010 0.000 1.406 108 H HN 0.833 nan 8.280 nan 0.000 0.576 109 G N 4.463 113.004 108.800 -0.431 0.000 2.199 109 G HA2 -0.255 3.721 3.960 0.026 0.000 0.254 109 G HA3 -0.255 3.721 3.960 0.026 0.000 0.254 109 G C 0.072 174.927 174.900 -0.075 0.000 0.982 109 G CA 0.237 45.152 45.100 -0.308 0.000 0.632 109 G HN 0.693 nan 8.290 nan 0.000 0.529 110 D N 1.390 121.807 120.400 0.029 0.000 2.449 110 D HA 0.408 5.064 4.640 0.026 0.000 0.236 110 D C 0.863 177.115 176.300 -0.080 0.000 1.149 110 D CA 0.822 54.817 54.000 -0.008 0.000 0.878 110 D CB 0.677 41.469 40.800 -0.012 0.000 1.198 110 D HN 0.125 nan 8.370 nan 0.000 0.446 111 T N 1.352 115.838 114.554 -0.113 0.000 2.832 111 T HA 0.395 4.760 4.350 0.026 0.000 0.296 111 T C 0.025 174.541 174.700 -0.307 0.000 0.968 111 T CA -0.517 61.476 62.100 -0.178 0.000 1.107 111 T CB 0.735 69.547 68.868 -0.093 0.000 0.916 111 T HN -0.006 nan 8.240 nan 0.000 0.517 112 V N 4.230 123.813 119.914 -0.551 0.000 2.735 112 V HA 0.532 4.668 4.120 0.026 0.000 0.310 112 V C -0.656 175.094 176.094 -0.573 0.000 1.061 112 V CA -1.054 60.797 62.300 -0.749 0.000 0.913 112 V CB 1.949 32.850 31.823 -1.537 0.000 1.005 112 V HN 0.661 nan 8.190 nan 0.000 0.428 113 L N 3.865 124.940 121.223 -0.246 0.000 2.280 113 L HA 0.946 5.302 4.340 0.026 0.000 0.287 113 L C 0.236 177.187 176.870 0.136 0.000 1.023 113 L CA 0.483 55.318 54.840 -0.008 0.000 0.819 113 L CB 0.876 43.012 42.059 0.129 0.000 1.212 113 L HN 0.807 nan 8.230 nan 0.000 0.420 114 G N 3.968 112.838 108.800 0.115 0.000 2.730 114 G HA2 0.443 4.418 3.960 0.026 0.000 0.289 114 G HA3 0.443 4.418 3.960 0.026 0.000 0.289 114 G C -1.159 173.380 174.900 -0.602 0.000 1.341 114 G CA -0.980 44.139 45.100 0.031 0.000 0.932 114 G HN 0.648 nan 8.290 nan 0.000 0.481 115 M N 1.687 120.871 119.600 -0.694 0.000 2.219 115 M HA 0.136 4.631 4.480 0.026 0.000 0.353 115 M C 0.634 176.646 176.300 -0.480 0.000 1.304 115 M CA -0.601 54.132 55.300 -0.944 0.000 1.115 115 M CB 0.364 32.755 32.600 -0.348 0.000 1.664 115 M HN 0.592 nan 8.290 nan 0.000 0.459 116 N N 3.879 122.271 118.700 -0.514 0.000 2.217 116 N HA -0.106 4.650 4.740 0.026 0.000 0.268 116 N C 0.392 175.743 175.510 -0.265 0.000 1.290 116 N CA 0.259 53.056 53.050 -0.422 0.000 0.831 116 N CB 0.531 38.566 38.487 -0.752 0.000 1.057 116 N HN 0.713 nan 8.380 nan 0.000 0.481 117 L N 3.133 124.226 121.223 -0.216 0.000 2.265 117 L HA -0.127 4.228 4.340 0.026 0.000 0.215 117 L C 2.192 178.991 176.870 -0.118 0.000 1.117 117 L CA 1.260 56.004 54.840 -0.160 0.000 0.782 117 L CB -0.518 41.431 42.059 -0.184 0.000 0.914 117 L HN 0.722 nan 8.230 nan 0.000 0.441 118 S N -3.223 112.412 115.700 -0.109 0.000 2.575 118 S HA 0.025 4.511 4.470 0.026 0.000 0.215 118 S C 1.394 176.067 174.600 0.122 0.000 0.966 118 S CA -0.008 58.180 58.200 -0.019 0.000 0.911 118 S CB -0.535 62.652 63.200 -0.022 0.000 0.780 118 S HN 0.573 nan 8.310 nan 0.000 0.514 119 H N -0.101 118.875 119.070 -0.156 0.000 2.755 119 H HA 0.376 4.947 4.556 0.026 0.000 0.273 119 H C 1.451 176.751 175.328 -0.047 0.000 1.055 119 H CA 0.031 56.007 56.048 -0.119 0.000 1.191 119 H CB 0.881 30.556 29.762 -0.144 0.000 1.536 119 H HN 0.596 nan 8.280 nan 0.000 0.529 120 G N 0.646 109.482 108.800 0.059 0.000 2.425 120 G HA2 -0.190 3.785 3.960 0.026 0.000 0.177 120 G HA3 -0.190 3.785 3.960 0.026 0.000 0.177 120 G C 0.712 175.635 174.900 0.039 0.000 0.999 120 G CA -0.348 44.784 45.100 0.053 0.000 0.723 120 G HN 0.510 nan 8.290 nan 0.000 0.491 121 G N -0.125 108.679 108.800 0.007 0.000 2.554 121 G HA2 0.440 4.416 3.960 0.026 0.000 0.238 121 G HA3 0.440 4.416 3.960 0.026 0.000 0.238 121 G C -0.136 174.754 174.900 -0.017 0.000 1.259 121 G CA 0.203 45.342 45.100 0.064 0.000 0.843 121 G HN 0.472 nan 8.290 nan 0.000 0.582 122 H N 1.258 120.150 119.070 -0.297 0.000 2.488 122 H HA 0.129 4.700 4.556 0.026 0.000 0.347 122 H C 1.446 176.516 175.328 -0.431 0.000 1.174 122 H CA -0.909 54.837 56.048 -0.504 0.000 1.307 122 H CB 1.618 30.893 29.762 -0.813 0.000 1.517 122 H HN 0.319 nan 8.280 nan 0.000 0.554 123 L N 2.959 123.540 121.223 -1.071 0.000 2.064 123 L HA -0.254 4.101 4.340 0.026 0.000 0.216 123 L C 2.413 178.966 176.870 -0.529 0.000 1.077 123 L CA 2.685 57.077 54.840 -0.747 0.000 0.766 123 L CB -0.751 40.853 42.059 -0.759 0.000 0.890 123 L HN 0.862 nan 8.230 nan 0.000 0.435 124 T N -4.926 109.386 114.554 -0.403 0.000 3.148 124 T HA -0.051 4.315 4.350 0.026 0.000 0.253 124 T C 0.915 175.617 174.700 0.003 0.000 1.134 124 T CA 0.649 62.682 62.100 -0.111 0.000 1.051 124 T CB -0.937 68.078 68.868 0.246 0.000 0.959 124 T HN 0.625 nan 8.240 nan 0.000 0.525 125 H N 0.471 119.412 119.070 -0.214 0.000 2.550 125 H HA 0.499 5.071 4.556 0.026 0.000 0.304 125 H C 1.434 176.223 175.328 -0.899 0.000 1.086 125 H CA -0.448 55.433 56.048 -0.279 0.000 1.089 125 H CB 0.115 29.863 29.762 -0.023 0.000 1.528 125 H HN 0.512 nan 8.280 nan 0.000 0.539 126 G N 0.830 108.902 108.800 -1.213 0.000 2.164 126 G HA2 -0.280 3.696 3.960 0.026 0.000 0.154 126 G HA3 -0.280 3.696 3.960 0.026 0.000 0.154 126 G C 0.234 174.775 174.900 -0.597 0.000 1.014 126 G CA -0.046 44.187 45.100 -1.445 0.000 0.683 126 G HN 0.386 nan 8.290 nan 0.000 0.500 127 S N 1.404 116.829 115.700 -0.457 0.000 2.552 127 S HA 0.379 4.865 4.470 0.026 0.000 0.289 127 S C 0.012 174.476 174.600 -0.226 0.000 1.304 127 S CA 0.109 58.135 58.200 -0.290 0.000 1.063 127 S CB 1.106 64.147 63.200 -0.264 0.000 0.848 127 S HN 0.194 nan 8.310 nan 0.000 0.499 128 P HA 0.002 nan 4.420 nan 0.000 0.237 128 P C 0.953 178.213 177.300 -0.066 0.000 1.178 128 P CA 0.637 63.681 63.100 -0.093 0.000 0.766 128 P CB -0.280 31.384 31.700 -0.061 0.000 0.876 129 V N -4.412 115.459 119.914 -0.071 0.000 3.578 129 V HA 0.284 4.419 4.120 0.026 0.000 0.290 129 V C 0.699 176.773 176.094 -0.034 0.000 1.376 129 V CA -0.416 61.863 62.300 -0.036 0.000 1.083 129 V CB -0.889 30.926 31.823 -0.014 0.000 0.911 129 V HN 0.010 nan 8.190 nan 0.000 0.433 130 N N 0.590 119.238 118.700 -0.086 0.000 2.443 130 N HA 0.247 5.003 4.740 0.026 0.000 0.293 130 N C 0.983 176.446 175.510 -0.079 0.000 1.159 130 N CA -0.135 52.868 53.050 -0.079 0.000 0.904 130 N CB 2.172 40.534 38.487 -0.209 0.000 1.214 130 N HN 0.208 nan 8.380 nan 0.000 0.513 131 F N 2.103 122.058 119.950 0.010 0.000 2.154 131 F HA -0.180 4.362 4.527 0.026 0.000 0.301 131 F C 2.302 178.132 175.800 0.051 0.000 1.087 131 F CA 1.471 59.491 58.000 0.034 0.000 1.274 131 F CB -1.020 38.025 39.000 0.074 0.000 1.009 131 F HN 0.449 nan 8.300 nan 0.000 0.485 132 S N 0.532 115.625 115.700 -1.013 0.000 2.359 132 S HA -0.099 4.386 4.470 0.026 0.000 0.224 132 S C 2.283 176.738 174.600 -0.242 0.000 1.035 132 S CA 1.105 58.933 58.200 -0.620 0.000 1.018 132 S CB -1.711 60.992 63.200 -0.829 0.000 0.876 132 S HN 0.575 nan 8.310 nan 0.000 0.448 133 G N 0.347 108.943 108.800 -0.339 0.000 2.511 133 G HA2 0.110 4.086 3.960 0.026 0.000 0.217 133 G HA3 0.110 4.086 3.960 0.026 0.000 0.217 133 G C 1.319 176.186 174.900 -0.055 0.000 1.133 133 G CA 0.611 45.615 45.100 -0.160 0.000 0.792 133 G HN 0.474 nan 8.290 nan 0.000 0.539 134 V N 0.090 119.963 119.914 -0.068 0.000 2.535 134 V HA -0.074 4.061 4.120 0.026 0.000 0.246 134 V C 2.566 178.628 176.094 -0.052 0.000 1.045 134 V CA 1.966 64.249 62.300 -0.027 0.000 1.058 134 V CB 0.327 32.157 31.823 0.013 0.000 0.689 134 V HN 0.426 nan 8.190 nan 0.000 0.461 135 Q N -0.818 118.897 119.800 -0.141 0.000 2.250 135 Q HA 0.060 4.416 4.340 0.026 0.000 0.200 135 Q C -0.071 175.526 176.000 -0.673 0.000 0.941 135 Q CA 0.996 56.575 55.803 -0.374 0.000 0.872 135 Q CB 0.218 28.628 28.738 -0.546 0.000 0.965 135 Q HN 0.639 nan 8.270 nan 0.000 0.480 136 Y N -0.730 119.576 120.300 0.011 0.000 2.570 136 Y HA 0.413 4.978 4.550 0.025 0.000 0.345 136 Y C -0.548 175.341 175.900 -0.018 0.000 1.014 136 Y CA -1.880 56.184 58.100 -0.062 0.000 1.063 136 Y CB 0.827 39.221 38.460 -0.110 0.000 1.272 136 Y HN -0.158 nan 8.280 nan 0.000 0.477 137 N N 1.346 120.068 118.700 0.036 0.000 2.602 137 N HA 0.219 4.975 4.740 0.026 0.000 0.238 137 N C -1.747 173.717 175.510 -0.077 0.000 1.084 137 N CA -0.103 52.938 53.050 -0.016 0.000 0.952 137 N CB -0.323 38.127 38.487 -0.062 0.000 1.244 137 N HN 0.405 nan 8.380 nan 0.000 0.512 138 F N 2.420 122.304 119.950 -0.109 0.000 2.427 138 F HA 0.252 4.794 4.527 0.026 0.000 0.352 138 F C 0.726 176.423 175.800 -0.173 0.000 1.100 138 F CA -0.443 57.474 58.000 -0.138 0.000 1.191 138 F CB 0.819 39.736 39.000 -0.138 0.000 1.128 138 F HN 0.123 nan 8.300 nan 0.000 0.533 139 V N 0.714 120.572 119.914 -0.092 0.000 2.919 139 V HA 0.986 5.121 4.120 0.026 0.000 0.316 139 V C -0.583 175.459 176.094 -0.086 0.000 1.077 139 V CA -1.160 61.027 62.300 -0.188 0.000 0.977 139 V CB 1.389 32.906 31.823 -0.511 0.000 1.039 139 V HN 0.889 nan 8.190 nan 0.000 0.441 140 A N 2.220 124.975 122.820 -0.107 0.000 2.386 140 A HA 0.914 5.250 4.320 0.026 0.000 0.311 140 A C -0.971 176.565 177.584 -0.080 0.000 1.068 140 A CA -0.734 51.209 52.037 -0.157 0.000 0.743 140 A CB 1.410 20.275 19.000 -0.225 0.000 1.258 140 A HN 1.514 nan 8.150 nan 0.000 0.429 141 Y N 0.104 120.389 120.300 -0.025 0.000 2.453 141 Y HA 0.816 5.381 4.550 0.026 0.000 0.326 141 Y C 0.492 176.352 175.900 -0.067 0.000 1.186 141 Y CA -0.868 57.216 58.100 -0.027 0.000 1.200 141 Y CB 0.911 39.366 38.460 -0.009 0.000 1.247 141 Y HN 0.765 nan 8.280 nan 0.000 0.482 142 G N 0.452 109.356 108.800 0.174 0.000 2.644 142 G HA2 0.576 4.551 3.960 0.026 0.000 0.307 142 G HA3 0.576 4.551 3.960 0.026 0.000 0.307 142 G C -0.932 174.169 174.900 0.336 0.000 1.250 142 G CA -0.735 44.491 45.100 0.209 0.000 0.996 142 G HN 1.070 nan 8.290 nan 0.000 0.489 143 V N -1.622 118.576 119.914 0.474 0.000 2.863 143 V HA 0.467 4.603 4.120 0.026 0.000 0.307 143 V C 0.282 176.572 176.094 0.328 0.000 1.061 143 V CA -1.103 61.372 62.300 0.292 0.000 1.024 143 V CB 1.698 33.675 31.823 0.256 0.000 1.049 143 V HN 0.692 nan 8.190 nan 0.000 0.471 144 D N 3.725 124.256 120.400 0.218 0.000 2.455 144 D HA 0.128 4.783 4.640 0.026 0.000 0.241 144 D C -1.528 174.847 176.300 0.126 0.000 1.138 144 D CA -1.174 52.911 54.000 0.142 0.000 0.877 144 D CB 1.989 42.827 40.800 0.063 0.000 1.187 144 D HN 0.498 nan 8.370 nan 0.000 0.451 145 P HA -0.111 nan 4.420 nan 0.000 0.222 145 P C 0.679 177.857 177.300 -0.203 0.000 1.147 145 P CA 1.027 63.967 63.100 -0.266 0.000 0.790 145 P CB 0.550 31.890 31.700 -0.600 0.000 0.780 146 E N -0.619 119.441 120.200 -0.232 0.000 2.110 146 E HA -0.024 4.342 4.350 0.026 0.000 0.193 146 E C 2.048 178.361 176.600 -0.479 0.000 0.950 146 E CA 1.704 57.928 56.400 -0.294 0.000 0.840 146 E CB -0.828 28.776 29.700 -0.160 0.000 0.809 146 E HN 0.324 nan 8.360 nan 0.000 0.465 147 T N -2.456 111.920 114.554 -0.297 0.000 3.043 147 T HA -0.054 4.312 4.350 0.026 0.000 0.263 147 T C 0.422 175.033 174.700 -0.147 0.000 1.094 147 T CA 0.877 62.857 62.100 -0.200 0.000 1.127 147 T CB -0.367 68.474 68.868 -0.044 0.000 0.905 147 T HN 0.332 nan 8.240 nan 0.000 0.490 148 H N -0.825 118.300 119.070 0.091 0.000 3.010 148 H HA -0.107 4.465 4.556 0.026 0.000 0.272 148 H C -0.377 175.085 175.328 0.225 0.000 1.151 148 H CA 0.146 56.271 56.048 0.128 0.000 1.159 148 H CB -2.419 27.394 29.762 0.085 0.000 1.295 148 H HN 0.352 nan 8.280 nan 0.000 0.344 149 V N 1.355 121.435 119.914 0.275 0.000 2.567 149 V HA 0.139 4.275 4.120 0.026 0.000 0.289 149 V C 1.365 177.612 176.094 0.255 0.000 1.049 149 V CA -0.527 61.983 62.300 0.351 0.000 0.969 149 V CB 1.460 33.430 31.823 0.245 0.000 0.995 149 V HN 0.199 nan 8.190 nan 0.000 0.471 150 I N 3.396 124.073 120.570 0.178 0.000 2.906 150 I HA -0.078 4.107 4.170 0.026 0.000 0.301 150 I C 0.690 176.666 176.117 -0.234 0.000 1.221 150 I CA 0.632 61.834 61.300 -0.163 0.000 1.435 150 I CB 0.042 37.730 38.000 -0.521 0.000 1.345 150 I HN 0.649 nan 8.210 nan 0.000 0.558 151 D N 7.029 127.345 120.400 -0.140 0.000 2.393 151 D HA 0.039 4.694 4.640 0.026 0.000 0.232 151 D C 0.584 176.744 176.300 -0.233 0.000 1.192 151 D CA -0.046 53.907 54.000 -0.079 0.000 0.882 151 D CB 0.460 41.282 40.800 0.036 0.000 1.038 151 D HN 0.337 nan 8.370 nan 0.000 0.499 152 Y N 1.629 121.852 120.300 -0.129 0.000 2.352 152 Y HA -0.119 4.447 4.550 0.026 0.000 0.292 152 Y C 2.009 177.796 175.900 -0.188 0.000 1.136 152 Y CA 0.683 58.631 58.100 -0.253 0.000 1.227 152 Y CB 0.207 38.508 38.460 -0.266 0.000 0.991 152 Y HN 0.393 nan 8.280 nan 0.000 0.545 153 D N -0.160 120.250 120.400 0.016 0.000 2.178 153 D HA -0.172 4.483 4.640 0.026 0.000 0.202 153 D C 1.552 177.843 176.300 -0.015 0.000 0.974 153 D CA 1.473 55.471 54.000 -0.002 0.000 0.841 153 D CB -0.226 40.581 40.800 0.013 0.000 0.953 153 D HN 0.411 nan 8.370 nan 0.000 0.478 154 D N 0.331 120.721 120.400 -0.016 0.000 2.123 154 D HA -0.112 4.543 4.640 0.026 0.000 0.200 154 D C 2.142 178.441 176.300 -0.001 0.000 0.976 154 D CA 0.513 54.523 54.000 0.018 0.000 0.831 154 D CB 0.169 41.008 40.800 0.065 0.000 0.974 154 D HN -0.100 nan 8.370 nan 0.000 0.469 155 V N 0.624 120.456 119.914 -0.136 0.000 2.282 155 V HA -0.267 3.868 4.120 0.026 0.000 0.249 155 V C 2.627 178.655 176.094 -0.110 0.000 1.057 155 V CA 2.177 64.328 62.300 -0.249 0.000 1.032 155 V CB -0.660 30.743 31.823 -0.700 0.000 0.645 155 V HN 0.230 nan 8.190 nan 0.000 0.447 156 R N -0.034 120.405 120.500 -0.101 0.000 2.073 156 R HA -0.222 4.134 4.340 0.026 0.000 0.234 156 R C 2.439 178.733 176.300 -0.011 0.000 1.134 156 R CA 2.112 58.183 56.100 -0.049 0.000 0.952 156 R CB -0.296 29.977 30.300 -0.044 0.000 0.850 156 R HN 0.697 nan 8.270 nan 0.000 0.433 157 E N 0.208 120.407 120.200 -0.001 0.000 2.047 157 E HA -0.193 4.172 4.350 0.026 0.000 0.191 157 E C 1.612 178.228 176.600 0.027 0.000 0.987 157 E CA 1.089 57.493 56.400 0.007 0.000 0.799 157 E CB 0.172 29.879 29.700 0.012 0.000 0.752 157 E HN 0.160 nan 8.360 nan 0.000 0.449 158 K N 0.326 120.776 120.400 0.083 0.000 2.063 158 K HA -0.156 4.179 4.320 0.026 0.000 0.208 158 K C 2.094 178.804 176.600 0.183 0.000 1.048 158 K CA 1.169 57.574 56.287 0.195 0.000 0.928 158 K CB -0.472 32.172 32.500 0.239 0.000 0.713 158 K HN 0.210 nan 8.250 nan 0.000 0.442 159 A N 1.599 124.482 122.820 0.106 0.000 1.902 159 A HA -0.163 4.172 4.320 0.026 0.000 0.217 159 A C 2.236 179.846 177.584 0.043 0.000 1.181 159 A CA 1.367 53.453 52.037 0.081 0.000 0.623 159 A CB -0.376 18.656 19.000 0.053 0.000 0.818 159 A HN 0.265 nan 8.150 nan 0.000 0.443 160 R N -1.282 119.226 120.500 0.013 0.000 2.115 160 R HA -0.029 4.326 4.340 0.026 0.000 0.230 160 R C 2.079 178.353 176.300 -0.044 0.000 1.111 160 R CA 1.236 57.328 56.100 -0.012 0.000 0.976 160 R CB -0.408 29.881 30.300 -0.017 0.000 0.870 160 R HN 0.498 nan 8.270 nan 0.000 0.445 161 L N -0.010 121.159 121.223 -0.090 0.000 2.023 161 L HA -0.100 4.256 4.340 0.026 0.000 0.205 161 L C 1.823 178.539 176.870 -0.256 0.000 1.073 161 L CA 1.883 56.590 54.840 -0.223 0.000 0.745 161 L CB -0.318 41.512 42.059 -0.382 0.000 0.900 161 L HN 0.178 nan 8.230 nan 0.000 0.435 162 H N 0.047 119.116 119.070 -0.001 0.000 2.562 162 H HA 0.231 4.803 4.556 0.026 0.000 0.267 162 H C 0.024 175.342 175.328 -0.017 0.000 0.959 162 H CA 0.143 56.186 56.048 -0.009 0.000 1.204 162 H CB 0.246 30.002 29.762 -0.010 0.000 1.430 162 H HN 0.160 nan 8.280 nan 0.000 0.545 163 R N 0.531 121.076 120.500 0.075 0.000 3.146 163 R HA -0.102 4.253 4.340 0.026 0.000 0.250 163 R C -2.608 173.708 176.300 0.027 0.000 0.912 163 R CA -0.012 56.109 56.100 0.035 0.000 0.633 163 R CB -2.394 27.914 30.300 0.013 0.000 1.180 163 R HN 0.441 nan 8.270 nan 0.000 0.464 164 P HA 0.077 nan 4.420 nan 0.000 0.272 164 P C 0.638 177.927 177.300 -0.020 0.000 1.223 164 P CA -0.280 62.806 63.100 -0.023 0.000 0.784 164 P CB 0.881 32.562 31.700 -0.031 0.000 0.923 165 K N 0.550 120.925 120.400 -0.042 0.000 2.228 165 K HA 0.001 4.337 4.320 0.026 0.000 0.202 165 K C 0.345 176.982 176.600 0.062 0.000 1.051 165 K CA 0.591 56.881 56.287 0.005 0.000 0.960 165 K CB -0.006 32.494 32.500 -0.001 0.000 0.743 165 K HN 0.318 nan 8.250 nan 0.000 0.458 166 L N 0.829 122.047 121.223 -0.009 0.000 2.455 166 L HA 0.454 4.810 4.340 0.026 0.000 0.264 166 L C -1.567 175.309 176.870 0.011 0.000 0.968 166 L CA -0.589 54.273 54.840 0.037 0.000 0.827 166 L CB 1.914 43.943 42.059 -0.051 0.000 1.317 166 L HN -0.090 nan 8.230 nan 0.000 0.407 167 I N 4.923 125.560 120.570 0.111 0.000 2.404 167 I HA 0.514 4.699 4.170 0.026 0.000 0.293 167 I C -0.793 175.413 176.117 0.149 0.000 0.992 167 I CA -1.001 60.391 61.300 0.154 0.000 1.149 167 I CB 1.983 40.124 38.000 0.236 0.000 1.315 167 I HN 0.257 nan 8.210 nan 0.000 0.446 168 V N 5.477 125.474 119.914 0.139 0.000 2.398 168 V HA 0.701 4.836 4.120 0.026 0.000 0.286 168 V C 0.238 176.316 176.094 -0.028 0.000 1.026 168 V CA -0.425 61.897 62.300 0.036 0.000 0.868 168 V CB 1.424 33.240 31.823 -0.011 0.000 0.982 168 V HN 0.846 nan 8.190 nan 0.000 0.443 169 A N 4.097 126.779 122.820 -0.230 0.000 2.356 169 A HA 1.061 5.397 4.320 0.026 0.000 0.323 169 A C 0.020 177.513 177.584 -0.151 0.000 1.119 169 A CA 0.044 51.807 52.037 -0.457 0.000 0.790 169 A CB 1.580 19.900 19.000 -1.133 0.000 1.273 169 A HN 2.470 nan 8.150 nan 0.000 0.452 170 A N -0.853 121.952 122.820 -0.024 0.000 2.435 170 A HA 0.574 4.909 4.320 0.026 0.000 0.686 170 A C -0.334 177.368 177.584 0.197 0.000 0.140 170 A CA -0.044 52.071 52.037 0.130 0.000 0.030 170 A CB -1.440 17.637 19.000 0.128 0.000 3.972 170 A HN 2.980 nan 8.150 nan 0.000 0.548 171 A N -0.706 122.256 122.820 0.237 0.000 2.612 171 A HA 0.851 5.186 4.320 0.026 0.000 0.293 171 A C 0.444 178.089 177.584 0.101 0.000 1.075 171 A CA 0.595 52.753 52.037 0.202 0.000 0.680 171 A CB 0.781 19.890 19.000 0.180 0.000 1.279 171 A HN 2.005 nan 8.150 nan 0.000 0.411 172 S N -0.210 115.497 115.700 0.013 0.000 2.517 172 S HA 0.402 4.887 4.470 0.026 0.000 0.214 172 S C 0.840 175.207 174.600 -0.388 0.000 0.991 172 S CA 0.838 58.920 58.200 -0.198 0.000 0.906 172 S CB 0.560 63.799 63.200 0.066 0.000 0.789 172 S HN 1.746 nan 8.310 nan 0.000 0.513 173 A N 0.652 123.384 122.820 -0.146 0.000 2.897 173 A HA 0.451 4.787 4.320 0.026 0.000 0.230 173 A C -0.880 176.725 177.584 0.035 0.000 0.896 173 A CA -0.331 51.642 52.037 -0.108 0.000 1.114 173 A CB 0.073 19.030 19.000 -0.073 0.000 1.230 173 A HN 0.309 nan 8.150 nan 0.000 0.481 174 Y N 1.901 122.153 120.300 -0.081 0.000 2.356 174 Y HA 0.536 5.101 4.550 0.025 0.000 0.334 174 Y C -2.175 173.722 175.900 -0.005 0.000 0.958 174 Y CA -2.374 55.723 58.100 -0.005 0.000 1.196 174 Y CB 2.058 40.556 38.460 0.064 0.000 1.137 174 Y HN 0.237 nan 8.280 nan 0.000 0.485 175 P HA 0.096 nan 4.420 nan 0.000 0.253 175 P C -0.267 176.818 177.300 -0.358 0.000 1.260 175 P CA 0.576 63.495 63.100 -0.302 0.000 0.800 175 P CB 0.493 32.066 31.700 -0.212 0.000 1.162 176 R N -0.119 119.951 120.500 -0.717 0.000 2.892 176 R HA 0.482 4.838 4.340 0.026 0.000 0.265 176 R C 0.407 176.630 176.300 -0.128 0.000 1.025 176 R CA -1.480 54.360 56.100 -0.433 0.000 0.982 176 R CB 0.879 30.917 30.300 -0.437 0.000 1.185 176 R HN 0.009 nan 8.270 nan 0.000 0.484 177 I N 2.312 122.883 120.570 0.001 0.000 2.710 177 I HA -0.024 4.162 4.170 0.026 0.000 0.286 177 I C 0.574 176.783 176.117 0.154 0.000 1.181 177 I CA 0.558 61.865 61.300 0.013 0.000 1.430 177 I CB 0.274 38.136 38.000 -0.230 0.000 1.367 177 I HN 0.242 nan 8.210 nan 0.000 0.577 178 I N 5.646 126.305 120.570 0.148 0.000 2.365 178 I HA 0.095 4.281 4.170 0.026 0.000 0.291 178 I C 0.235 176.100 176.117 -0.420 0.000 1.004 178 I CA -0.303 61.002 61.300 0.009 0.000 1.311 178 I CB 0.948 38.891 38.000 -0.096 0.000 1.401 178 I HN 0.490 nan 8.210 nan 0.000 0.491 179 D N 6.430 126.781 120.400 -0.081 0.000 2.453 179 D HA 0.138 4.793 4.640 0.026 0.000 0.223 179 D C 0.728 176.973 176.300 -0.092 0.000 1.183 179 D CA -0.033 53.822 54.000 -0.243 0.000 0.933 179 D CB 0.295 40.827 40.800 -0.446 0.000 1.038 179 D HN 0.346 nan 8.370 nan 0.000 0.513 180 F N 1.737 121.689 119.950 0.003 0.000 2.293 180 F HA -0.083 4.459 4.527 0.026 0.000 0.300 180 F C 2.495 178.106 175.800 -0.315 0.000 1.086 180 F CA 0.502 58.475 58.000 -0.044 0.000 1.375 180 F CB -0.030 38.934 39.000 -0.060 0.000 1.045 180 F HN 0.428 nan 8.300 nan 0.000 0.516 181 A N 0.632 123.117 122.820 -0.558 0.000 1.877 181 A HA -0.205 4.130 4.320 0.026 0.000 0.216 181 A C 2.213 179.712 177.584 -0.142 0.000 1.186 181 A CA 1.618 53.356 52.037 -0.499 0.000 0.620 181 A CB -0.547 18.199 19.000 -0.423 0.000 0.822 181 A HN 0.288 nan 8.150 nan 0.000 0.443 182 K N -1.555 118.736 120.400 -0.181 0.000 2.057 182 K HA -0.082 4.254 4.320 0.026 0.000 0.206 182 K C 1.696 178.248 176.600 -0.079 0.000 1.050 182 K CA 1.429 57.597 56.287 -0.198 0.000 0.935 182 K CB -0.348 31.855 32.500 -0.496 0.000 0.715 182 K HN 0.461 nan 8.250 nan 0.000 0.439 183 F N 1.254 121.231 119.950 0.045 0.000 2.126 183 F HA -0.218 4.326 4.527 0.027 0.000 0.299 183 F C 2.634 178.485 175.800 0.085 0.000 1.096 183 F CA 1.390 59.444 58.000 0.091 0.000 1.255 183 F CB -0.218 38.877 39.000 0.157 0.000 0.997 183 F HN -0.053 nan 8.300 nan 0.000 0.479 184 R N 0.867 121.528 120.500 0.269 0.000 2.092 184 R HA -0.156 4.200 4.340 0.026 0.000 0.231 184 R C 2.036 178.418 176.300 0.136 0.000 1.119 184 R CA 1.760 57.984 56.100 0.208 0.000 0.970 184 R CB -0.780 29.659 30.300 0.232 0.000 0.864 184 R HN 0.411 nan 8.270 nan 0.000 0.440 185 E N -0.222 120.029 120.200 0.085 0.000 2.085 185 E HA -0.189 4.176 4.350 0.026 0.000 0.194 185 E C 1.868 178.488 176.600 0.033 0.000 0.994 185 E CA 1.746 58.171 56.400 0.042 0.000 0.801 185 E CB -0.140 29.560 29.700 -0.001 0.000 0.743 185 E HN 0.426 nan 8.360 nan 0.000 0.453 186 I N 0.733 121.316 120.570 0.021 0.000 2.202 186 I HA -0.242 3.944 4.170 0.026 0.000 0.242 186 I C 2.594 178.741 176.117 0.051 0.000 1.091 186 I CA 0.939 62.245 61.300 0.010 0.000 1.368 186 I CB -0.349 37.623 38.000 -0.046 0.000 1.058 186 I HN 0.166 nan 8.210 nan 0.000 0.410 187 A N 0.643 123.526 122.820 0.104 0.000 1.892 187 A HA -0.279 4.057 4.320 0.026 0.000 0.218 187 A C 1.951 179.585 177.584 0.085 0.000 1.188 187 A CA 2.323 54.434 52.037 0.123 0.000 0.631 187 A CB -0.698 18.423 19.000 0.202 0.000 0.822 187 A HN 0.355 nan 8.150 nan 0.000 0.447 188 D N -0.839 119.613 120.400 0.086 0.000 2.144 188 D HA -0.151 4.505 4.640 0.026 0.000 0.199 188 D C 1.889 178.207 176.300 0.030 0.000 0.984 188 D CA 1.448 55.484 54.000 0.060 0.000 0.834 188 D CB -0.357 40.480 40.800 0.062 0.000 0.955 188 D HN 0.744 nan 8.370 nan 0.000 0.465 189 E N 0.287 120.502 120.200 0.026 0.000 2.110 189 E HA -0.143 4.222 4.350 0.026 0.000 0.193 189 E C 1.740 178.343 176.600 0.006 0.000 0.988 189 E CA 1.201 57.608 56.400 0.011 0.000 0.804 189 E CB 0.285 29.988 29.700 0.006 0.000 0.745 189 E HN 0.240 nan 8.360 nan 0.000 0.458 190 V N -3.481 116.439 119.914 0.010 0.000 3.621 190 V HA 0.429 4.564 4.120 0.026 0.000 0.285 190 V C 1.041 177.129 176.094 -0.011 0.000 1.346 190 V CA 0.386 62.688 62.300 0.003 0.000 1.104 190 V CB 0.099 31.930 31.823 0.013 0.000 0.913 190 V HN 0.273 nan 8.190 nan 0.000 0.432 191 G N 0.404 109.193 108.800 -0.019 0.000 2.246 191 G HA2 -0.001 3.974 3.960 0.026 0.000 0.273 191 G HA3 -0.001 3.974 3.960 0.026 0.000 0.273 191 G C 0.194 175.029 174.900 -0.109 0.000 1.055 191 G CA 0.382 45.446 45.100 -0.061 0.000 0.851 191 G HN 1.663 nan 8.290 nan 0.000 0.500 192 A N -0.600 122.182 122.820 -0.063 0.000 2.312 192 A HA 0.818 5.154 4.320 0.026 0.000 0.328 192 A C 0.068 177.605 177.584 -0.077 0.000 1.158 192 A CA -0.791 51.213 52.037 -0.054 0.000 0.821 192 A CB 0.823 19.847 19.000 0.040 0.000 1.170 192 A HN 0.555 nan 8.150 nan 0.000 0.490 193 Y N 0.166 120.441 120.300 -0.043 0.000 2.457 193 Y HA 0.326 4.892 4.550 0.027 0.000 0.341 193 Y C 0.319 176.332 175.900 0.189 0.000 1.240 193 Y CA 0.480 58.529 58.100 -0.085 0.000 1.437 193 Y CB 0.603 39.022 38.460 -0.069 0.000 1.328 193 Y HN 0.553 nan 8.280 nan 0.000 0.588 194 L N 4.990 126.588 121.223 0.625 0.000 2.325 194 L HA 0.509 4.865 4.340 0.026 0.000 0.281 194 L C -0.820 176.256 176.870 0.344 0.000 1.004 194 L CA -0.821 54.256 54.840 0.395 0.000 0.823 194 L CB 1.151 43.396 42.059 0.309 0.000 1.236 194 L HN 0.727 nan 8.230 nan 0.000 0.415 195 M N 5.762 125.505 119.600 0.239 0.000 2.294 195 M HA 0.615 5.110 4.480 0.026 0.000 0.335 195 M C -1.719 174.598 176.300 0.028 0.000 1.079 195 M CA -0.619 54.787 55.300 0.176 0.000 0.982 195 M CB 1.590 34.280 32.600 0.150 0.000 1.651 195 M HN 0.417 nan 8.290 nan 0.000 0.437 196 V N 4.256 124.146 119.914 -0.039 0.000 2.384 196 V HA 0.276 4.411 4.120 0.026 0.000 0.287 196 V C -0.666 175.366 176.094 -0.103 0.000 1.020 196 V CA -0.589 61.634 62.300 -0.128 0.000 0.850 196 V CB 1.572 33.192 31.823 -0.338 0.000 0.987 196 V HN 0.778 nan 8.190 nan 0.000 0.436 197 D N 5.697 126.062 120.400 -0.059 0.000 2.456 197 D HA 0.246 4.901 4.640 0.026 0.000 0.219 197 D C 0.786 177.094 176.300 0.013 0.000 1.126 197 D CA -0.463 53.534 54.000 -0.004 0.000 0.890 197 D CB 1.139 42.010 40.800 0.119 0.000 1.025 197 D HN 0.608 nan 8.370 nan 0.000 0.511 198 M N 1.678 121.240 119.600 -0.063 0.000 2.530 198 M HA 0.355 4.850 4.480 0.026 0.000 0.231 198 M C 1.398 177.665 176.300 -0.055 0.000 1.180 198 M CA -0.348 54.917 55.300 -0.058 0.000 0.985 198 M CB 0.627 33.138 32.600 -0.149 0.000 1.623 198 M HN 0.134 nan 8.290 nan 0.000 0.475 199 A N 1.311 124.100 122.820 -0.051 0.000 1.896 199 A HA -0.248 4.087 4.320 0.026 0.000 0.220 199 A C 2.102 179.606 177.584 -0.134 0.000 1.206 199 A CA 2.200 54.166 52.037 -0.119 0.000 0.647 199 A CB -1.412 17.500 19.000 -0.147 0.000 0.828 199 A HN 0.757 nan 8.150 nan 0.000 0.455 200 H N -0.497 118.528 119.070 -0.074 0.000 2.389 200 H HA -0.041 4.532 4.556 0.028 0.000 0.299 200 H C 1.913 177.098 175.328 -0.238 0.000 1.081 200 H CA 1.786 57.793 56.048 -0.068 0.000 1.345 200 H CB -0.044 29.811 29.762 0.155 0.000 1.393 200 H HN 0.734 nan 8.280 nan 0.000 0.520 201 I N -2.553 118.002 120.570 -0.026 0.000 3.928 201 I HA 0.334 4.519 4.170 0.026 0.000 0.335 201 I C 2.208 178.309 176.117 -0.026 0.000 1.325 201 I CA 0.216 61.465 61.300 -0.085 0.000 1.107 201 I CB 0.118 38.034 38.000 -0.141 0.000 1.014 201 I HN -0.084 nan 8.210 nan 0.000 0.400 202 A N 2.307 125.118 122.820 -0.014 0.000 1.917 202 A HA -0.091 4.245 4.320 0.026 0.000 0.219 202 A C 2.350 180.105 177.584 0.285 0.000 1.182 202 A CA 2.118 54.208 52.037 0.088 0.000 0.633 202 A CB -1.441 17.560 19.000 0.002 0.000 0.819 202 A HN 0.540 nan 8.150 nan 0.000 0.448 203 G N -0.271 108.670 108.800 0.236 0.000 2.422 203 G HA2 -0.132 3.844 3.960 0.026 0.000 0.218 203 G HA3 -0.132 3.844 3.960 0.026 0.000 0.218 203 G C 1.534 176.638 174.900 0.340 0.000 1.146 203 G CA 1.012 46.360 45.100 0.414 0.000 0.769 203 G HN 0.456 nan 8.290 nan 0.000 0.547 204 L N 0.242 121.571 121.223 0.176 0.000 2.056 204 L HA -0.069 4.286 4.340 0.026 0.000 0.207 204 L C 2.959 179.963 176.870 0.224 0.000 1.078 204 L CA 0.447 55.379 54.840 0.153 0.000 0.749 204 L CB -0.808 41.330 42.059 0.131 0.000 0.901 204 L HN 0.061 nan 8.230 nan 0.000 0.433 205 V N 0.645 120.717 119.914 0.263 0.000 2.287 205 V HA -0.328 3.807 4.120 0.026 0.000 0.248 205 V C 2.857 179.111 176.094 0.268 0.000 1.053 205 V CA 1.982 64.475 62.300 0.322 0.000 1.027 205 V CB -0.944 31.091 31.823 0.354 0.000 0.646 205 V HN 0.501 nan 8.190 nan 0.000 0.447 206 A N -0.303 122.659 122.820 0.237 0.000 1.978 206 A HA -0.065 4.270 4.320 0.026 0.000 0.220 206 A C 2.147 179.764 177.584 0.055 0.000 1.170 206 A CA 1.966 53.955 52.037 -0.080 0.000 0.636 206 A CB -0.524 18.335 19.000 -0.234 0.000 0.810 206 A HN 0.644 nan 8.150 nan 0.000 0.448 207 A N -1.896 121.035 122.820 0.185 0.000 2.307 207 A HA 0.444 4.780 4.320 0.026 0.000 0.218 207 A C 1.647 179.296 177.584 0.109 0.000 1.228 207 A CA 1.021 53.157 52.037 0.165 0.000 0.857 207 A CB -0.898 18.197 19.000 0.158 0.000 0.897 207 A HN 1.862 nan 8.150 nan 0.000 0.495 208 G N -0.790 108.080 108.800 0.118 0.000 2.160 208 G HA2 -0.251 3.724 3.960 0.026 0.000 0.251 208 G HA3 -0.251 3.724 3.960 0.026 0.000 0.251 208 G C 0.544 175.510 174.900 0.111 0.000 1.008 208 G CA 0.617 45.783 45.100 0.111 0.000 0.724 208 G HN 0.547 nan 8.290 nan 0.000 0.514 209 L N -0.541 120.762 121.223 0.134 0.000 2.640 209 L HA 0.374 4.729 4.340 0.026 0.000 0.230 209 L C 0.929 177.904 176.870 0.176 0.000 1.123 209 L CA -0.173 54.738 54.840 0.117 0.000 0.900 209 L CB 0.275 42.383 42.059 0.082 0.000 1.146 209 L HN 0.411 nan 8.230 nan 0.000 0.484 210 H N 0.425 119.572 119.070 0.127 0.000 2.806 210 H HA 0.367 4.939 4.556 0.027 0.000 0.367 210 H C -2.713 172.738 175.328 0.205 0.000 1.136 210 H CA -1.898 54.245 56.048 0.157 0.000 1.178 210 H CB 2.734 32.610 29.762 0.190 0.000 1.718 210 H HN -0.256 nan 8.280 nan 0.000 0.540 211 P HA -0.054 nan 4.420 nan 0.000 0.265 211 P C -0.206 177.459 177.300 0.609 0.000 1.187 211 P CA 0.127 63.419 63.100 0.319 0.000 0.766 211 P CB 0.488 32.299 31.700 0.185 0.000 0.820 212 N N 4.066 123.031 118.700 0.441 0.000 2.430 212 N HA 0.091 4.846 4.740 0.026 0.000 0.265 212 N C -1.483 174.198 175.510 0.284 0.000 1.100 212 N CA -2.220 51.031 53.050 0.335 0.000 0.961 212 N CB 0.416 39.042 38.487 0.233 0.000 1.075 212 N HN 0.221 nan 8.380 nan 0.000 0.478 213 P HA -0.072 nan 4.420 nan 0.000 0.225 213 P C 1.367 178.585 177.300 -0.137 0.000 1.156 213 P CA 0.388 63.204 63.100 -0.473 0.000 0.787 213 P CB 0.502 31.489 31.700 -1.189 0.000 0.802 214 V N 2.535 122.393 119.914 -0.093 0.000 2.250 214 V HA -0.180 3.955 4.120 0.026 0.000 0.250 214 V C -0.123 175.907 176.094 -0.107 0.000 1.060 214 V CA 2.891 65.141 62.300 -0.083 0.000 1.030 214 V CB -2.616 29.190 31.823 -0.028 0.000 0.643 214 V HN 0.227 nan 8.190 nan 0.000 0.445 215 P HA -0.112 nan 4.420 nan 0.000 0.226 215 P C 0.926 177.978 177.300 -0.412 0.000 1.153 215 P CA 1.545 64.445 63.100 -0.333 0.000 0.777 215 P CB -0.089 31.314 31.700 -0.495 0.000 0.794 216 Y N -0.698 119.573 120.300 -0.048 0.000 2.507 216 Y HA 0.438 5.003 4.550 0.025 0.000 0.263 216 Y C 1.484 177.315 175.900 -0.116 0.000 1.093 216 Y CA -0.274 57.804 58.100 -0.037 0.000 1.285 216 Y CB -0.318 38.190 38.460 0.080 0.000 1.115 216 Y HN -0.163 nan 8.280 nan 0.000 0.533 217 A N -0.542 122.264 122.820 -0.023 0.000 2.312 217 A HA 0.390 4.726 4.320 0.026 0.000 0.328 217 A C -0.089 177.373 177.584 -0.204 0.000 1.158 217 A CA -0.431 51.553 52.037 -0.087 0.000 0.821 217 A CB 0.327 19.280 19.000 -0.078 0.000 1.170 217 A HN 0.452 nan 8.150 nan 0.000 0.490 218 H N 0.780 119.787 119.070 -0.106 0.000 2.395 218 H HA 0.126 4.697 4.556 0.026 0.000 0.299 218 H C -0.668 174.167 175.328 -0.822 0.000 1.070 218 H CA 2.025 57.819 56.048 -0.423 0.000 1.356 218 H CB -0.023 29.377 29.762 -0.603 0.000 1.401 218 H HN 0.573 nan 8.280 nan 0.000 0.524 219 F N -0.552 119.425 119.950 0.044 0.000 2.556 219 F HA 0.486 5.028 4.527 0.025 0.000 0.314 219 F C -0.882 174.875 175.800 -0.073 0.000 1.106 219 F CA -1.219 56.759 58.000 -0.037 0.000 0.911 219 F CB 1.943 40.879 39.000 -0.107 0.000 1.190 219 F HN -0.350 nan 8.300 nan 0.000 0.448 220 V N 1.663 121.617 119.914 0.066 0.000 2.444 220 V HA 0.580 4.716 4.120 0.026 0.000 0.294 220 V C -0.266 175.784 176.094 -0.073 0.000 1.022 220 V CA -0.721 61.539 62.300 -0.067 0.000 0.850 220 V CB 1.929 33.645 31.823 -0.179 0.000 0.992 220 V HN 0.894 nan 8.190 nan 0.000 0.426 221 T N 0.844 115.348 114.554 -0.083 0.000 2.945 221 T HA 0.837 5.202 4.350 0.026 0.000 0.286 221 T C -0.304 174.322 174.700 -0.123 0.000 1.025 221 T CA -0.652 61.395 62.100 -0.088 0.000 1.039 221 T CB 2.128 70.954 68.868 -0.071 0.000 1.068 221 T HN 0.732 nan 8.240 nan 0.000 0.497 222 T N 0.517 115.001 114.554 -0.118 0.000 2.830 222 T HA 0.581 4.946 4.350 0.026 0.000 0.322 222 T C -0.624 174.011 174.700 -0.109 0.000 1.501 222 T CA -0.399 61.618 62.100 -0.138 0.000 1.036 222 T CB 1.376 70.117 68.868 -0.213 0.000 1.379 222 T HN 1.188 nan 8.240 nan 0.000 0.493 223 T N -0.022 114.432 114.554 -0.167 0.000 2.902 223 T HA 0.459 4.825 4.350 0.026 0.000 0.280 223 T C 1.415 176.024 174.700 -0.152 0.000 0.992 223 T CA 0.160 62.130 62.100 -0.215 0.000 1.015 223 T CB 1.026 69.534 68.868 -0.601 0.000 1.044 223 T HN 0.761 nan 8.240 nan 0.000 0.520 224 T N -2.147 112.391 114.554 -0.027 0.000 3.060 224 T HA 0.033 4.399 4.350 0.026 0.000 0.249 224 T C 1.240 175.980 174.700 0.067 0.000 1.079 224 T CA 0.208 62.367 62.100 0.097 0.000 1.013 224 T CB -0.461 68.506 68.868 0.165 0.000 0.975 224 T HN 0.926 nan 8.240 nan 0.000 0.518 225 H N -0.254 118.815 119.070 -0.001 0.000 2.652 225 H HA 0.478 5.051 4.556 0.028 0.000 0.274 225 H C 0.787 176.083 175.328 -0.053 0.000 1.021 225 H CA -0.537 55.495 56.048 -0.026 0.000 1.187 225 H CB 0.338 30.073 29.762 -0.045 0.000 1.505 225 H HN 0.265 nan 8.280 nan 0.000 0.530 226 K N 1.140 121.408 120.400 -0.220 0.000 3.730 226 K HA 0.061 4.397 4.320 0.026 0.000 0.166 226 K C 1.931 178.488 176.600 -0.071 0.000 1.148 226 K CA 0.750 56.917 56.287 -0.200 0.000 1.638 226 K CB -0.214 32.042 32.500 -0.405 0.000 2.264 226 K HN 0.135 nan 8.250 nan 0.000 0.518 227 T N 0.315 114.803 114.554 -0.109 0.000 3.007 227 T HA -0.083 4.283 4.350 0.026 0.000 0.270 227 T C 1.756 176.611 174.700 0.259 0.000 1.107 227 T CA 0.717 62.827 62.100 0.016 0.000 1.118 227 T CB -0.078 68.702 68.868 -0.146 0.000 0.889 227 T HN 0.078 nan 8.240 nan 0.000 0.506 228 L N 1.151 122.494 121.223 0.200 0.000 2.376 228 L HA 0.347 4.703 4.340 0.026 0.000 0.219 228 L C 1.621 178.648 176.870 0.261 0.000 1.133 228 L CA 0.904 55.907 54.840 0.273 0.000 0.816 228 L CB -1.129 41.049 42.059 0.198 0.000 0.933 228 L HN 0.430 nan 8.230 nan 0.000 0.449 229 R N -1.078 119.551 120.500 0.215 0.000 3.525 229 R HA -0.160 4.196 4.340 0.026 0.000 0.276 229 R C 0.482 176.844 176.300 0.103 0.000 1.116 229 R CA 0.433 56.634 56.100 0.169 0.000 0.745 229 R CB -1.700 28.743 30.300 0.239 0.000 1.185 229 R HN 0.549 nan 8.270 nan 0.000 0.454 230 G N 0.100 108.955 108.800 0.091 0.000 2.795 230 G HA2 0.679 4.654 3.960 0.026 0.000 0.267 230 G HA3 0.679 4.654 3.960 0.026 0.000 0.267 230 G C -2.560 172.365 174.900 0.042 0.000 1.362 230 G CA -0.933 44.188 45.100 0.035 0.000 1.048 230 G HN 0.136 nan 8.290 nan 0.000 0.547 231 P HA 0.181 nan 4.420 nan 0.000 0.274 231 P C -0.599 176.720 177.300 0.032 0.000 1.256 231 P CA -0.524 62.566 63.100 -0.017 0.000 0.795 231 P CB 1.002 32.658 31.700 -0.074 0.000 1.038 232 R N 0.195 120.656 120.500 -0.064 0.000 2.351 232 R HA 0.508 4.863 4.340 0.026 0.000 0.318 232 R C 0.306 176.586 176.300 -0.033 0.000 1.055 232 R CA 0.544 56.523 56.100 -0.202 0.000 0.968 232 R CB -0.607 29.461 30.300 -0.387 0.000 0.974 232 R HN 0.843 nan 8.270 nan 0.000 0.439 233 G N 1.363 110.275 108.800 0.187 0.000 2.320 233 G HA2 0.411 4.387 3.960 0.026 0.000 0.296 233 G HA3 0.411 4.387 3.960 0.026 0.000 0.296 233 G C -1.318 173.682 174.900 0.167 0.000 1.306 233 G CA -0.399 44.779 45.100 0.130 0.000 0.836 233 G HN 0.771 nan 8.290 nan 0.000 0.517 234 G N -1.387 107.470 108.800 0.095 0.000 2.685 234 G HA2 0.834 4.810 3.960 0.026 0.000 0.298 234 G HA3 0.834 4.810 3.960 0.026 0.000 0.298 234 G C -0.830 174.104 174.900 0.056 0.000 1.277 234 G CA -0.369 44.766 45.100 0.059 0.000 0.986 234 G HN 1.227 nan 8.290 nan 0.000 0.487 235 M N -0.233 119.383 119.600 0.027 0.000 2.490 235 M HA 0.610 5.106 4.480 0.026 0.000 0.286 235 M C -2.146 174.143 176.300 -0.018 0.000 1.185 235 M CA -0.642 54.676 55.300 0.030 0.000 0.912 235 M CB 2.161 34.802 32.600 0.068 0.000 1.744 235 M HN 0.405 nan 8.290 nan 0.000 0.494 236 I N 4.439 125.008 120.570 -0.002 0.000 2.465 236 I HA 0.507 4.692 4.170 0.026 0.000 0.291 236 I C -1.290 174.829 176.117 0.004 0.000 1.014 236 I CA -0.746 60.558 61.300 0.006 0.000 1.093 236 I CB 2.033 40.066 38.000 0.055 0.000 1.267 236 I HN 0.598 nan 8.210 nan 0.000 0.431 237 L N 6.023 127.240 121.223 -0.011 0.000 2.346 237 L HA 0.806 5.162 4.340 0.026 0.000 0.274 237 L C -0.555 176.367 176.870 0.086 0.000 1.007 237 L CA -0.621 54.218 54.840 -0.002 0.000 0.818 237 L CB 1.903 43.901 42.059 -0.101 0.000 1.284 237 L HN 0.801 nan 8.230 nan 0.000 0.424 238 C N -0.212 119.170 119.300 0.137 0.000 3.321 238 C HA 0.484 4.959 4.460 0.026 0.000 0.329 238 C C -0.757 174.318 174.990 0.143 0.000 1.394 238 C CA -1.044 58.065 59.018 0.152 0.000 1.291 238 C CB 1.825 29.739 27.740 0.291 0.000 1.606 238 C HN 0.869 nan 8.230 nan 0.000 0.463 239 Q N 0.928 120.803 119.800 0.124 0.000 2.417 239 Q HA 0.212 4.567 4.340 0.026 0.000 0.241 239 Q C 0.651 176.656 176.000 0.008 0.000 1.008 239 Q CA 0.091 55.923 55.803 0.049 0.000 0.901 239 Q CB 0.903 29.632 28.738 -0.015 0.000 1.259 239 Q HN 0.855 nan 8.270 nan 0.000 0.489 240 E N 1.421 121.594 120.200 -0.044 0.000 2.147 240 E HA -0.283 4.082 4.350 0.026 0.000 0.199 240 E C 1.985 178.478 176.600 -0.179 0.000 1.005 240 E CA 2.308 58.655 56.400 -0.089 0.000 0.810 240 E CB -0.070 29.588 29.700 -0.071 0.000 0.736 240 E HN 0.782 nan 8.360 nan 0.000 0.460 241 Q N -1.284 118.337 119.800 -0.299 0.000 2.291 241 Q HA -0.156 4.200 4.340 0.026 0.000 0.206 241 Q C 0.966 176.657 176.000 -0.515 0.000 0.976 241 Q CA 1.462 56.985 55.803 -0.466 0.000 0.875 241 Q CB -0.266 28.081 28.738 -0.652 0.000 0.927 241 Q HN 0.334 nan 8.270 nan 0.000 0.450 242 F N -0.314 119.623 119.950 -0.022 0.000 2.678 242 F HA 0.507 5.049 4.527 0.025 0.000 0.305 242 F C 2.062 177.850 175.800 -0.020 0.000 1.090 242 F CA -0.256 57.767 58.000 0.039 0.000 1.272 242 F CB -0.050 39.034 39.000 0.140 0.000 1.060 242 F HN 0.136 nan 8.300 nan 0.000 0.576 243 A N 0.886 123.663 122.820 -0.072 0.000 1.873 243 A HA -0.282 4.054 4.320 0.026 0.000 0.218 243 A C 2.364 179.756 177.584 -0.321 0.000 1.193 243 A CA 2.217 53.964 52.037 -0.484 0.000 0.629 243 A CB -0.680 17.792 19.000 -0.880 0.000 0.826 243 A HN 0.329 nan 8.150 nan 0.000 0.447 244 K N -0.729 119.563 120.400 -0.181 0.000 2.032 244 K HA -0.229 4.106 4.320 0.026 0.000 0.209 244 K C 2.321 178.919 176.600 -0.004 0.000 1.048 244 K CA 1.855 58.087 56.287 -0.092 0.000 0.927 244 K CB -0.219 32.251 32.500 -0.048 0.000 0.712 244 K HN 0.658 nan 8.250 nan 0.000 0.441 245 Q N 0.134 119.967 119.800 0.056 0.000 2.084 245 Q HA -0.128 4.227 4.340 0.026 0.000 0.202 245 Q C 2.131 178.198 176.000 0.111 0.000 0.978 245 Q CA 1.215 57.078 55.803 0.100 0.000 0.844 245 Q CB 0.003 28.833 28.738 0.152 0.000 0.898 245 Q HN 0.312 nan 8.270 nan 0.000 0.426 246 I N 1.308 121.958 120.570 0.133 0.000 2.179 246 I HA -0.245 3.940 4.170 0.026 0.000 0.242 246 I C 1.559 177.759 176.117 0.139 0.000 1.088 246 I CA 1.430 62.815 61.300 0.142 0.000 1.357 246 I CB -0.959 37.174 38.000 0.222 0.000 1.051 246 I HN 0.223 nan 8.210 nan 0.000 0.409 247 D N 0.904 121.349 120.400 0.075 0.000 2.123 247 D HA -0.169 4.486 4.640 0.026 0.000 0.196 247 D C 2.159 178.599 176.300 0.235 0.000 0.992 247 D CA 1.043 55.051 54.000 0.014 0.000 0.833 247 D CB -0.125 40.414 40.800 -0.435 0.000 0.954 247 D HN 0.172 nan 8.370 nan 0.000 0.455 248 K N 0.609 121.113 120.400 0.174 0.000 2.148 248 K HA 0.034 4.370 4.320 0.026 0.000 0.204 248 K C 1.978 178.703 176.600 0.207 0.000 1.050 248 K CA 0.698 57.106 56.287 0.203 0.000 0.942 248 K CB -0.301 32.282 32.500 0.139 0.000 0.724 248 K HN 0.075 nan 8.250 nan 0.000 0.446 249 A N 1.602 124.554 122.820 0.221 0.000 1.902 249 A HA -0.135 4.201 4.320 0.026 0.000 0.217 249 A C 2.150 179.816 177.584 0.137 0.000 1.181 249 A CA 1.091 53.296 52.037 0.280 0.000 0.623 249 A CB -0.334 18.828 19.000 0.269 0.000 0.818 249 A HN 0.091 nan 8.150 nan 0.000 0.443 250 I N -2.676 117.998 120.570 0.173 0.000 2.202 250 I HA 0.010 4.196 4.170 0.026 0.000 0.242 250 I C 0.547 176.797 176.117 0.221 0.000 1.091 250 I CA 1.338 62.732 61.300 0.156 0.000 1.368 250 I CB -0.554 37.577 38.000 0.218 0.000 1.058 250 I HN 0.343 nan 8.210 nan 0.000 0.410 251 F N 2.278 122.332 119.950 0.174 0.000 2.588 251 F HA 0.392 4.936 4.527 0.028 0.000 0.318 251 F C -2.228 173.701 175.800 0.214 0.000 1.155 251 F CA -1.752 56.332 58.000 0.141 0.000 0.967 251 F CB 2.011 41.061 39.000 0.084 0.000 1.236 251 F HN -0.247 nan 8.300 nan 0.000 0.455 252 P HA 0.168 nan 4.420 nan 0.000 0.257 252 P C 0.988 178.044 177.300 -0.405 0.000 1.325 252 P CA 0.558 63.012 63.100 -1.077 0.000 0.850 252 P CB 0.378 31.525 31.700 -0.921 0.000 1.324 253 G N 2.305 111.005 108.800 -0.166 0.000 2.524 253 G HA2 -0.202 3.773 3.960 0.026 0.000 0.215 253 G HA3 -0.202 3.773 3.960 0.026 0.000 0.215 253 G C 1.305 175.935 174.900 -0.451 0.000 1.239 253 G CA 1.188 46.175 45.100 -0.189 0.000 0.798 253 G HN 0.443 nan 8.290 nan 0.000 0.557 254 I N -3.649 116.714 120.570 -0.345 0.000 4.403 254 I HA 0.447 4.633 4.170 0.026 0.000 0.331 254 I C 0.577 176.611 176.117 -0.138 0.000 1.327 254 I CA -0.220 60.877 61.300 -0.338 0.000 1.175 254 I CB 0.584 38.345 38.000 -0.399 0.000 1.165 254 I HN 0.058 nan 8.210 nan 0.000 0.413 255 Q N 0.808 120.592 119.800 -0.027 0.000 2.552 255 Q HA 0.665 5.021 4.340 0.026 0.000 0.289 255 Q C -0.053 176.118 176.000 0.285 0.000 1.097 255 Q CA -0.444 55.408 55.803 0.080 0.000 0.812 255 Q CB 2.364 31.063 28.738 -0.066 0.000 1.460 255 Q HN 0.260 nan 8.270 nan 0.000 0.452 256 G N -0.484 108.506 108.800 0.316 0.000 3.306 256 G HA2 0.442 4.418 3.960 0.026 0.000 0.202 256 G HA3 0.442 4.418 3.960 0.026 0.000 0.202 256 G C -0.252 174.759 174.900 0.185 0.000 1.673 256 G CA -0.110 45.240 45.100 0.417 0.000 0.776 256 G HN 0.582 nan 8.290 nan 0.000 0.740 257 G N 2.127 111.050 108.800 0.205 0.000 2.343 257 G HA2 0.484 4.459 3.960 0.026 0.000 0.254 257 G HA3 0.484 4.459 3.960 0.026 0.000 0.254 257 G C -2.040 172.842 174.900 -0.030 0.000 1.277 257 G CA -0.327 44.769 45.100 -0.007 0.000 0.909 257 G HN 0.367 nan 8.290 nan 0.000 0.502 258 P HA 0.164 nan 4.420 nan 0.000 0.274 258 P C -0.113 177.166 177.300 -0.036 0.000 1.246 258 P CA -0.457 62.627 63.100 -0.026 0.000 0.795 258 P CB 1.267 32.893 31.700 -0.123 0.000 1.006 259 L N 2.494 123.717 121.223 -0.000 0.000 2.356 259 L HA 0.140 4.496 4.340 0.026 0.000 0.282 259 L C 1.825 178.597 176.870 -0.163 0.000 1.132 259 L CA -0.521 54.248 54.840 -0.118 0.000 0.923 259 L CB -0.099 41.804 42.059 -0.260 0.000 1.278 259 L HN 0.228 nan 8.230 nan 0.000 0.436 260 M N 1.391 120.978 119.600 -0.022 0.000 2.159 260 M HA -0.159 4.337 4.480 0.026 0.000 0.263 260 M C 2.402 178.703 176.300 0.003 0.000 1.063 260 M CA 1.565 56.857 55.300 -0.014 0.000 1.110 260 M CB -1.112 31.484 32.600 -0.005 0.000 1.374 260 M HN 0.645 nan 8.290 nan 0.000 0.411 261 H N -0.668 118.356 119.070 -0.078 0.000 2.387 261 H HA 0.013 4.573 4.556 0.007 0.000 0.299 261 H C 2.096 177.383 175.328 -0.069 0.000 1.090 261 H CA 1.530 57.537 56.048 -0.070 0.000 1.332 261 H CB -1.467 28.252 29.762 -0.071 0.000 1.386 261 H HN 0.255 nan 8.280 nan 0.000 0.516 262 V N 1.673 121.264 119.914 -0.538 0.000 2.427 262 V HA -0.175 3.960 4.120 0.026 0.000 0.248 262 V C 2.995 178.963 176.094 -0.209 0.000 1.051 262 V CA 1.466 63.560 62.300 -0.343 0.000 1.048 262 V CB -0.578 31.027 31.823 -0.363 0.000 0.666 262 V HN 0.248 nan 8.190 nan 0.000 0.456 263 I N 0.659 121.123 120.570 -0.176 0.000 2.286 263 I HA -0.247 3.938 4.170 0.026 0.000 0.248 263 I C 2.696 178.732 176.117 -0.136 0.000 1.115 263 I CA 1.425 62.648 61.300 -0.129 0.000 1.392 263 I CB -0.585 37.370 38.000 -0.076 0.000 1.065 263 I HN 0.295 nan 8.210 nan 0.000 0.418 264 A N 0.893 123.653 122.820 -0.100 0.000 1.883 264 A HA -0.223 4.112 4.320 0.026 0.000 0.217 264 A C 2.563 180.072 177.584 -0.126 0.000 1.186 264 A CA 2.057 54.045 52.037 -0.083 0.000 0.624 264 A CB -0.914 18.065 19.000 -0.035 0.000 0.822 264 A HN 0.438 nan 8.150 nan 0.000 0.444 265 A N -0.389 122.351 122.820 -0.133 0.000 1.933 265 A HA -0.174 4.161 4.320 0.026 0.000 0.218 265 A C 2.103 179.532 177.584 -0.257 0.000 1.175 265 A CA 1.864 53.811 52.037 -0.150 0.000 0.628 265 A CB -0.433 18.497 19.000 -0.117 0.000 0.814 265 A HN 0.575 nan 8.150 nan 0.000 0.444 266 K N -0.308 119.882 120.400 -0.351 0.000 2.026 266 K HA -0.096 4.239 4.320 0.026 0.000 0.208 266 K C 2.372 178.357 176.600 -1.025 0.000 1.048 266 K CA 1.178 57.034 56.287 -0.719 0.000 0.929 266 K CB -0.397 31.736 32.500 -0.612 0.000 0.713 266 K HN 0.434 nan 8.250 nan 0.000 0.439 267 A N 1.190 123.689 122.820 -0.534 0.000 1.892 267 A HA -0.179 4.157 4.320 0.026 0.000 0.218 267 A C 2.419 179.878 177.584 -0.208 0.000 1.188 267 A CA 1.868 53.735 52.037 -0.284 0.000 0.631 267 A CB -0.891 18.045 19.000 -0.108 0.000 0.822 267 A HN 0.093 nan 8.150 nan 0.000 0.447 268 V N -0.215 119.584 119.914 -0.191 0.000 2.295 268 V HA -0.266 3.869 4.120 0.026 0.000 0.246 268 V C 3.071 179.095 176.094 -0.116 0.000 1.049 268 V CA 2.072 64.303 62.300 -0.115 0.000 1.024 268 V CB -1.393 30.376 31.823 -0.091 0.000 0.648 268 V HN 0.645 nan 8.190 nan 0.000 0.447 269 A N -0.411 122.296 122.820 -0.190 0.000 1.908 269 A HA -0.199 4.137 4.320 0.026 0.000 0.218 269 A C 2.151 179.723 177.584 -0.020 0.000 1.181 269 A CA 1.964 53.924 52.037 -0.128 0.000 0.627 269 A CB -0.785 18.121 19.000 -0.157 0.000 0.818 269 A HN 0.551 nan 8.150 nan 0.000 0.445 270 F N -0.061 119.824 119.950 -0.109 0.000 2.146 270 F HA -0.103 4.447 4.527 0.038 0.000 0.298 270 F C 2.749 178.454 175.800 -0.157 0.000 1.096 270 F CA 0.240 58.154 58.000 -0.142 0.000 1.275 270 F CB -0.602 38.350 39.000 -0.080 0.000 1.008 270 F HN 0.373 nan 8.300 nan 0.000 0.480 271 G N 0.371 109.213 108.800 0.069 0.000 2.446 271 G HA2 -0.256 3.719 3.960 0.026 0.000 0.217 271 G HA3 -0.256 3.719 3.960 0.026 0.000 0.217 271 G C 1.373 176.258 174.900 -0.024 0.000 1.168 271 G CA 0.986 46.091 45.100 0.010 0.000 0.771 271 G HN 0.352 nan 8.290 nan 0.000 0.551 272 E N 0.558 120.733 120.200 -0.041 0.000 2.077 272 E HA -0.057 4.309 4.350 0.026 0.000 0.193 272 E C 2.900 179.427 176.600 -0.121 0.000 0.989 272 E CA 0.812 57.189 56.400 -0.039 0.000 0.800 272 E CB -0.218 29.471 29.700 -0.019 0.000 0.746 272 E HN 0.423 nan 8.360 nan 0.000 0.452 273 A N 0.969 123.568 122.820 -0.368 0.000 2.015 273 A HA -0.102 4.234 4.320 0.026 0.000 0.219 273 A C 2.092 179.485 177.584 -0.319 0.000 1.163 273 A CA 0.814 52.349 52.037 -0.837 0.000 0.646 273 A CB -0.424 17.991 19.000 -0.974 0.000 0.806 273 A HN 0.136 nan 8.150 nan 0.000 0.448 274 L N -0.534 120.591 121.223 -0.164 0.000 2.376 274 L HA -0.069 4.287 4.340 0.026 0.000 0.219 274 L C 0.962 177.830 176.870 -0.004 0.000 1.133 274 L CA 0.222 55.013 54.840 -0.081 0.000 0.816 274 L CB -0.251 41.770 42.059 -0.064 0.000 0.933 274 L HN 0.485 nan 8.230 nan 0.000 0.449 275 Q N -0.217 119.603 119.800 0.034 0.000 2.354 275 Q HA -0.012 4.343 4.340 0.026 0.000 0.244 275 Q C 0.423 176.496 176.000 0.122 0.000 0.969 275 Q CA -0.587 55.260 55.803 0.074 0.000 0.885 275 Q CB 0.987 29.773 28.738 0.081 0.000 1.241 275 Q HN 0.022 nan 8.270 nan 0.000 0.461 276 D N 1.501 121.957 120.400 0.092 0.000 2.149 276 D HA -0.188 4.468 4.640 0.026 0.000 0.198 276 D C 1.278 177.650 176.300 0.121 0.000 0.990 276 D CA 1.573 55.629 54.000 0.094 0.000 0.839 276 D CB -0.095 40.744 40.800 0.064 0.000 0.948 276 D HN 0.649 nan 8.370 nan 0.000 0.460 277 D N -0.141 120.335 120.400 0.126 0.000 2.219 277 D HA -0.181 4.475 4.640 0.026 0.000 0.205 277 D C 1.967 178.379 176.300 0.186 0.000 0.970 277 D CA 0.277 54.354 54.000 0.129 0.000 0.851 277 D CB -1.009 39.852 40.800 0.101 0.000 0.943 277 D HN 0.268 nan 8.370 nan 0.000 0.488 278 F N 1.245 121.255 119.950 0.100 0.000 2.186 278 F HA -0.041 4.501 4.527 0.025 0.000 0.299 278 F C 1.987 177.896 175.800 0.182 0.000 1.090 278 F CA 1.170 59.269 58.000 0.165 0.000 1.307 278 F CB 0.077 39.146 39.000 0.115 0.000 1.019 278 F HN -0.231 nan 8.300 nan 0.000 0.489 279 K N 0.574 121.109 120.400 0.226 0.000 2.057 279 K HA -0.084 4.252 4.320 0.026 0.000 0.207 279 K C 2.267 178.867 176.600 0.001 0.000 1.049 279 K CA 1.350 57.699 56.287 0.102 0.000 0.931 279 K CB -0.878 31.691 32.500 0.116 0.000 0.714 279 K HN 0.320 nan 8.250 nan 0.000 0.440 280 A N 0.037 122.877 122.820 0.033 0.000 1.902 280 A HA -0.200 4.135 4.320 0.026 0.000 0.217 280 A C 2.141 179.717 177.584 -0.013 0.000 1.181 280 A CA 1.536 53.584 52.037 0.018 0.000 0.623 280 A CB -0.880 18.150 19.000 0.050 0.000 0.818 280 A HN 0.442 nan 8.150 nan 0.000 0.443 281 Y N 0.893 121.110 120.300 -0.139 0.000 2.097 281 Y HA -0.171 4.397 4.550 0.031 0.000 0.282 281 Y C 2.583 178.335 175.900 -0.246 0.000 1.152 281 Y CA 1.549 59.530 58.100 -0.198 0.000 1.136 281 Y CB -0.820 37.470 38.460 -0.283 0.000 0.975 281 Y HN 0.283 nan 8.280 nan 0.000 0.498 282 A N 0.506 122.901 122.820 -0.707 0.000 1.933 282 A HA -0.225 4.110 4.320 0.026 0.000 0.218 282 A C 2.358 179.728 177.584 -0.358 0.000 1.175 282 A CA 1.950 53.582 52.037 -0.676 0.000 0.628 282 A CB -0.852 17.885 19.000 -0.437 0.000 0.814 282 A HN 0.580 nan 8.150 nan 0.000 0.444 283 K N -0.420 119.852 120.400 -0.212 0.000 2.057 283 K HA -0.143 4.192 4.320 0.026 0.000 0.207 283 K C 2.262 178.792 176.600 -0.118 0.000 1.049 283 K CA 1.354 57.573 56.287 -0.114 0.000 0.931 283 K CB -0.172 32.296 32.500 -0.055 0.000 0.714 283 K HN 0.443 nan 8.250 nan 0.000 0.440 284 R N 0.146 120.560 120.500 -0.144 0.000 2.096 284 R HA -0.093 4.263 4.340 0.026 0.000 0.235 284 R C 2.266 178.489 176.300 -0.129 0.000 1.127 284 R CA 1.243 57.285 56.100 -0.097 0.000 0.968 284 R CB -0.321 29.953 30.300 -0.042 0.000 0.861 284 R HN 0.069 nan 8.270 nan 0.000 0.440 285 V N 0.583 120.331 119.914 -0.277 0.000 2.255 285 V HA -0.249 3.887 4.120 0.026 0.000 0.247 285 V C 2.371 178.412 176.094 -0.088 0.000 1.051 285 V CA 1.833 63.996 62.300 -0.227 0.000 1.018 285 V CB -0.384 31.203 31.823 -0.393 0.000 0.641 285 V HN 0.119 nan 8.190 nan 0.000 0.445 286 V N 0.034 119.898 119.914 -0.083 0.000 2.307 286 V HA -0.227 3.908 4.120 0.026 0.000 0.245 286 V C 2.291 178.376 176.094 -0.015 0.000 1.045 286 V CA 2.117 64.405 62.300 -0.021 0.000 1.024 286 V CB -0.762 31.056 31.823 -0.008 0.000 0.651 286 V HN 0.536 nan 8.190 nan 0.000 0.449 287 D N 0.450 120.835 120.400 -0.025 0.000 2.104 287 D HA -0.163 4.493 4.640 0.026 0.000 0.194 287 D C 2.066 178.367 176.300 0.002 0.000 0.994 287 D CA 1.368 55.362 54.000 -0.009 0.000 0.830 287 D CB -0.462 40.332 40.800 -0.010 0.000 0.959 287 D HN 0.351 nan 8.370 nan 0.000 0.452 288 N N 0.490 119.191 118.700 0.003 0.000 2.120 288 N HA -0.093 4.663 4.740 0.026 0.000 0.188 288 N C 1.701 177.224 175.510 0.022 0.000 1.024 288 N CA 1.291 54.356 53.050 0.025 0.000 0.852 288 N CB -0.434 38.078 38.487 0.042 0.000 1.003 288 N HN 0.148 nan 8.380 nan 0.000 0.424 289 A N 0.968 123.794 122.820 0.010 0.000 1.902 289 A HA -0.137 4.198 4.320 0.026 0.000 0.217 289 A C 2.202 179.785 177.584 -0.001 0.000 1.181 289 A CA 1.572 53.610 52.037 0.002 0.000 0.623 289 A CB -0.388 18.611 19.000 -0.002 0.000 0.818 289 A HN 0.156 nan 8.150 nan 0.000 0.443 290 K N -0.675 119.726 120.400 0.001 0.000 2.057 290 K HA -0.122 4.214 4.320 0.026 0.000 0.207 290 K C 2.247 178.853 176.600 0.009 0.000 1.049 290 K CA 1.622 57.910 56.287 0.002 0.000 0.931 290 K CB -0.182 32.320 32.500 0.002 0.000 0.714 290 K HN 0.368 nan 8.250 nan 0.000 0.440 291 R N 0.623 121.131 120.500 0.014 0.000 2.081 291 R HA -0.064 4.291 4.340 0.026 0.000 0.235 291 R C 1.951 178.267 176.300 0.025 0.000 1.131 291 R CA 1.168 57.280 56.100 0.020 0.000 0.960 291 R CB -0.804 29.510 30.300 0.023 0.000 0.856 291 R HN 0.165 nan 8.270 nan 0.000 0.436 292 L N 0.300 121.538 121.223 0.025 0.000 2.046 292 L HA 0.024 4.380 4.340 0.026 0.000 0.208 292 L C 2.094 178.976 176.870 0.021 0.000 1.077 292 L CA 2.193 57.048 54.840 0.026 0.000 0.747 292 L CB -1.136 40.936 42.059 0.021 0.000 0.896 292 L HN 0.282 nan 8.230 nan 0.000 0.432 293 A N -1.354 121.472 122.820 0.011 0.000 1.865 293 A HA -0.245 4.090 4.320 0.026 0.000 0.217 293 A C 2.399 180.003 177.584 0.034 0.000 1.191 293 A CA 2.358 54.403 52.037 0.013 0.000 0.623 293 A CB -1.159 17.841 19.000 0.001 0.000 0.826 293 A HN 0.529 nan 8.150 nan 0.000 0.444 294 S N -0.234 115.484 115.700 0.029 0.000 2.368 294 S HA -0.039 4.447 4.470 0.026 0.000 0.225 294 S C 2.296 176.923 174.600 0.047 0.000 1.030 294 S CA 1.234 59.455 58.200 0.034 0.000 0.999 294 S CB -0.517 62.697 63.200 0.023 0.000 0.844 294 S HN 0.821 nan 8.310 nan 0.000 0.459 295 A N 1.363 124.212 122.820 0.048 0.000 1.902 295 A HA 0.005 4.340 4.320 0.026 0.000 0.217 295 A C 2.116 179.762 177.584 0.103 0.000 1.181 295 A CA 1.102 53.176 52.037 0.061 0.000 0.623 295 A CB -0.701 18.331 19.000 0.052 0.000 0.818 295 A HN 0.447 nan 8.150 nan 0.000 0.443 296 L N -0.939 120.357 121.223 0.120 0.000 2.046 296 L HA -0.257 4.099 4.340 0.026 0.000 0.208 296 L C 2.895 179.934 176.870 0.282 0.000 1.077 296 L CA 1.586 56.568 54.840 0.236 0.000 0.747 296 L CB -0.542 41.587 42.059 0.116 0.000 0.896 296 L HN 0.484 nan 8.230 nan 0.000 0.432 297 Q N -0.458 119.435 119.800 0.154 0.000 2.124 297 Q HA -0.234 4.122 4.340 0.026 0.000 0.202 297 Q C 2.040 178.077 176.000 0.063 0.000 0.977 297 Q CA 1.583 57.450 55.803 0.107 0.000 0.850 297 Q CB -0.296 28.482 28.738 0.068 0.000 0.901 297 Q HN 0.506 nan 8.270 nan 0.000 0.429 298 N N 0.413 119.148 118.700 0.058 0.000 2.205 298 N HA -0.185 4.571 4.740 0.026 0.000 0.186 298 N C 1.138 176.654 175.510 0.011 0.000 1.015 298 N CA 0.814 53.882 53.050 0.030 0.000 0.862 298 N CB 0.229 38.736 38.487 0.033 0.000 0.986 298 N HN 0.200 nan 8.380 nan 0.000 0.429 299 E N -0.320 119.904 120.200 0.038 0.000 2.482 299 E HA -0.002 4.363 4.350 0.026 0.000 0.196 299 E C 1.139 177.585 176.600 -0.256 0.000 1.047 299 E CA 0.698 57.075 56.400 -0.038 0.000 0.869 299 E CB -0.017 29.758 29.700 0.125 0.000 0.836 299 E HN 0.607 nan 8.360 nan 0.000 0.520 300 G N 0.678 109.363 108.800 -0.190 0.000 2.163 300 G HA2 -0.226 3.749 3.960 0.026 0.000 0.213 300 G HA3 -0.226 3.749 3.960 0.026 0.000 0.213 300 G C -0.040 174.700 174.900 -0.267 0.000 0.991 300 G CA -0.338 44.615 45.100 -0.244 0.000 0.653 300 G HN 0.127 nan 8.290 nan 0.000 0.518 301 F N 1.980 121.934 119.950 0.007 0.000 2.399 301 F HA 0.561 5.105 4.527 0.027 0.000 0.342 301 F C 1.192 176.997 175.800 0.010 0.000 1.106 301 F CA 0.069 58.074 58.000 0.008 0.000 1.196 301 F CB 1.219 40.222 39.000 0.006 0.000 1.163 301 F HN -0.083 nan 8.300 nan 0.000 0.547 302 T N 4.808 119.492 114.554 0.216 0.000 2.806 302 T HA 0.534 4.899 4.350 0.026 0.000 0.290 302 T C -0.133 174.637 174.700 0.118 0.000 0.966 302 T CA -0.505 61.675 62.100 0.134 0.000 1.060 302 T CB 0.354 69.284 68.868 0.104 0.000 0.927 302 T HN 0.274 nan 8.240 nan 0.000 0.485 303 L N 2.948 124.224 121.223 0.089 0.000 2.317 303 L HA 0.494 4.850 4.340 0.026 0.000 0.281 303 L C 0.134 177.045 176.870 0.067 0.000 1.024 303 L CA -1.341 53.530 54.840 0.053 0.000 0.810 303 L CB 1.525 43.606 42.059 0.036 0.000 1.240 303 L HN 0.322 nan 8.230 nan 0.000 0.427 304 V N 2.796 122.718 119.914 0.013 0.000 2.617 304 V HA -0.071 4.064 4.120 0.026 0.000 0.304 304 V C 1.168 177.338 176.094 0.127 0.000 1.040 304 V CA 1.273 63.571 62.300 -0.004 0.000 1.149 304 V CB 0.850 32.568 31.823 -0.175 0.000 0.914 304 V HN 1.176 nan 8.190 nan 0.000 0.487 305 S N 2.522 118.459 115.700 0.395 0.000 2.929 305 S HA -0.220 4.266 4.470 0.026 0.000 0.271 305 S C 1.351 176.002 174.600 0.085 0.000 1.295 305 S CA 1.206 59.524 58.200 0.197 0.000 1.277 305 S CB -1.935 61.311 63.200 0.077 0.000 1.557 305 S HN 2.836 nan 8.310 nan 0.000 0.666 306 G N -0.369 108.485 108.800 0.091 0.000 2.148 306 G HA2 0.319 4.295 3.960 0.026 0.000 0.254 306 G HA3 0.319 4.295 3.960 0.026 0.000 0.254 306 G C 0.991 175.906 174.900 0.025 0.000 0.981 306 G CA 0.624 45.753 45.100 0.049 0.000 0.670 306 G HN 2.632 nan 8.290 nan 0.000 0.528 307 G N -2.659 106.148 108.800 0.012 0.000 2.403 307 G HA2 0.663 4.639 3.960 0.026 0.000 0.223 307 G HA3 0.663 4.639 3.960 0.026 0.000 0.223 307 G C -0.550 174.328 174.900 -0.037 0.000 1.287 307 G CA 0.937 46.033 45.100 -0.008 0.000 0.982 307 G HN 1.913 nan 8.290 nan 0.000 0.471 308 T N -1.094 113.435 114.554 -0.042 0.000 2.932 308 T HA 0.566 4.931 4.350 0.026 0.000 0.318 308 T C -1.174 173.500 174.700 -0.044 0.000 1.265 308 T CA 0.120 62.181 62.100 -0.065 0.000 1.036 308 T CB 1.893 70.719 68.868 -0.069 0.000 1.209 308 T HN 0.303 nan 8.240 nan 0.000 0.484 309 D N 1.826 122.199 120.400 -0.045 0.000 2.398 309 D HA 0.197 4.852 4.640 0.026 0.000 0.210 309 D C 0.661 176.989 176.300 0.048 0.000 1.094 309 D CA 0.263 54.258 54.000 -0.007 0.000 0.839 309 D CB 0.523 41.312 40.800 -0.018 0.000 0.963 309 D HN 0.670 nan 8.370 nan 0.000 0.506 310 N N -0.771 117.960 118.700 0.051 0.000 3.567 310 N HA -0.021 4.734 4.740 0.026 0.000 0.347 310 N C 0.983 176.564 175.510 0.118 0.000 1.553 310 N CA -0.329 52.809 53.050 0.147 0.000 0.636 310 N CB -0.204 38.447 38.487 0.274 0.000 2.483 310 N HN -0.154 nan 8.380 nan 0.000 0.608 311 H N -0.933 118.152 119.070 0.026 0.000 2.551 311 H HA 0.322 4.894 4.556 0.026 0.000 0.266 311 H C 0.061 175.397 175.328 0.014 0.000 0.964 311 H CA -0.037 56.017 56.048 0.010 0.000 1.180 311 H CB -0.347 29.430 29.762 0.025 0.000 1.408 311 H HN 0.510 nan 8.280 nan 0.000 0.563 312 L N -0.039 120.878 121.223 -0.510 0.000 2.333 312 L HA 0.683 5.039 4.340 0.026 0.000 0.263 312 L C -1.077 175.656 176.870 -0.228 0.000 1.014 312 L CA -1.609 52.984 54.840 -0.411 0.000 0.820 312 L CB 2.238 43.943 42.059 -0.589 0.000 1.352 312 L HN 0.033 nan 8.230 nan 0.000 0.421 313 L N 0.098 121.223 121.223 -0.162 0.000 2.415 313 L HA 0.895 5.250 4.340 0.026 0.000 0.256 313 L C -1.529 175.275 176.870 -0.109 0.000 1.010 313 L CA -0.816 53.953 54.840 -0.119 0.000 0.826 313 L CB 1.948 43.956 42.059 -0.084 0.000 1.405 313 L HN 0.567 nan 8.230 nan 0.000 0.410 314 L N 1.784 122.951 121.223 -0.094 0.000 2.356 314 L HA 0.690 5.046 4.340 0.026 0.000 0.277 314 L C -0.586 176.239 176.870 -0.076 0.000 0.996 314 L CA -0.468 54.318 54.840 -0.090 0.000 0.822 314 L CB 2.197 44.200 42.059 -0.093 0.000 1.256 314 L HN 0.488 nan 8.230 nan 0.000 0.413 315 V N 1.809 121.671 119.914 -0.086 0.000 2.461 315 V HA 0.197 4.333 4.120 0.026 0.000 0.275 315 V C -0.195 175.878 176.094 -0.034 0.000 1.047 315 V CA -0.521 61.738 62.300 -0.069 0.000 0.955 315 V CB 1.381 33.106 31.823 -0.164 0.000 0.988 315 V HN 0.661 nan 8.190 nan 0.000 0.471 316 D N 4.596 125.000 120.400 0.007 0.000 2.365 316 D HA 0.215 4.871 4.640 0.026 0.000 0.237 316 D C 0.617 176.958 176.300 0.067 0.000 1.190 316 D CA -0.058 53.953 54.000 0.019 0.000 0.867 316 D CB 1.097 41.911 40.800 0.023 0.000 1.050 316 D HN 0.452 nan 8.370 nan 0.000 0.491 317 L N 3.588 124.845 121.223 0.057 0.000 2.591 317 L HA 0.166 4.522 4.340 0.026 0.000 0.228 317 L C 2.323 179.240 176.870 0.079 0.000 1.133 317 L CA -0.110 54.785 54.840 0.093 0.000 0.880 317 L CB -0.015 42.086 42.059 0.069 0.000 1.033 317 L HN 0.292 nan 8.230 nan 0.000 0.450 318 R N 0.642 121.178 120.500 0.060 0.000 2.103 318 R HA -0.181 4.174 4.340 0.026 0.000 0.242 318 R C -0.418 175.911 176.300 0.048 0.000 1.142 318 R CA 1.573 57.703 56.100 0.050 0.000 0.960 318 R CB -1.511 28.817 30.300 0.045 0.000 0.858 318 R HN 0.322 nan 8.270 nan 0.000 0.439 319 P HA -0.129 nan 4.420 nan 0.000 0.219 319 P C 0.560 177.876 177.300 0.027 0.000 1.146 319 P CA 1.243 64.364 63.100 0.035 0.000 0.808 319 P CB 0.138 31.858 31.700 0.034 0.000 0.779 320 Q N -1.236 118.593 119.800 0.049 0.000 2.360 320 Q HA 0.092 4.447 4.340 0.026 0.000 0.202 320 Q C 0.240 176.266 176.000 0.043 0.000 0.915 320 Q CA 0.165 55.995 55.803 0.045 0.000 0.943 320 Q CB -0.478 28.316 28.738 0.094 0.000 1.064 320 Q HN 0.054 nan 8.270 nan 0.000 0.511 321 Q N -0.315 119.509 119.800 0.040 0.000 2.434 321 Q HA -0.215 4.141 4.340 0.026 0.000 0.299 321 Q C -0.950 175.074 176.000 0.040 0.000 1.286 321 Q CA 0.882 56.707 55.803 0.035 0.000 0.872 321 Q CB -2.113 26.640 28.738 0.026 0.000 1.193 321 Q HN 0.409 nan 8.270 nan 0.000 0.466 322 L N -0.135 121.118 121.223 0.050 0.000 2.342 322 L HA 0.534 4.889 4.340 0.026 0.000 0.271 322 L C 1.012 177.907 176.870 0.041 0.000 1.008 322 L CA -0.728 54.141 54.840 0.048 0.000 0.818 322 L CB 1.872 43.969 42.059 0.063 0.000 1.296 322 L HN 0.131 nan 8.230 nan 0.000 0.427 323 T N -1.850 112.724 114.554 0.034 0.000 2.899 323 T HA 0.262 4.627 4.350 0.026 0.000 0.284 323 T C 1.231 175.943 174.700 0.021 0.000 1.004 323 T CA -0.101 62.015 62.100 0.028 0.000 1.043 323 T CB 1.643 70.528 68.868 0.029 0.000 1.013 323 T HN 0.705 nan 8.240 nan 0.000 0.518 324 G N 0.277 109.083 108.800 0.011 0.000 2.422 324 G HA2 -0.202 3.774 3.960 0.026 0.000 0.218 324 G HA3 -0.202 3.774 3.960 0.026 0.000 0.218 324 G C 1.364 176.266 174.900 0.004 0.000 1.146 324 G CA 0.864 45.963 45.100 -0.002 0.000 0.769 324 G HN 0.847 nan 8.290 nan 0.000 0.547 325 K N -0.179 120.231 120.400 0.015 0.000 2.057 325 K HA -0.100 4.236 4.320 0.026 0.000 0.207 325 K C 2.558 179.171 176.600 0.021 0.000 1.049 325 K CA 1.730 58.031 56.287 0.022 0.000 0.931 325 K CB -0.312 32.210 32.500 0.037 0.000 0.714 325 K HN 0.260 nan 8.250 nan 0.000 0.440 326 T N 0.724 115.292 114.554 0.023 0.000 2.708 326 T HA -0.120 4.246 4.350 0.026 0.000 0.266 326 T C 1.850 176.562 174.700 0.021 0.000 1.037 326 T CA 1.363 63.477 62.100 0.024 0.000 1.146 326 T CB -0.312 68.572 68.868 0.028 0.000 0.865 326 T HN 0.428 nan 8.240 nan 0.000 0.435 327 A N 1.371 124.202 122.820 0.018 0.000 1.877 327 A HA -0.160 4.175 4.320 0.026 0.000 0.216 327 A C 2.216 179.801 177.584 0.001 0.000 1.186 327 A CA 2.027 54.070 52.037 0.010 0.000 0.620 327 A CB -0.728 18.270 19.000 -0.002 0.000 0.822 327 A HN 0.632 nan 8.150 nan 0.000 0.443 328 E N -0.067 120.132 120.200 -0.002 0.000 2.070 328 E HA -0.293 4.073 4.350 0.026 0.000 0.197 328 E C 2.104 178.708 176.600 0.007 0.000 1.004 328 E CA 1.779 58.178 56.400 -0.002 0.000 0.805 328 E CB -0.179 29.520 29.700 -0.001 0.000 0.744 328 E HN 0.629 nan 8.360 nan 0.000 0.451 329 K N 0.201 120.608 120.400 0.012 0.000 2.009 329 K HA -0.149 4.187 4.320 0.026 0.000 0.210 329 K C 2.175 178.785 176.600 0.016 0.000 1.049 329 K CA 1.543 57.839 56.287 0.016 0.000 0.929 329 K CB -0.296 32.215 32.500 0.018 0.000 0.714 329 K HN 0.153 nan 8.250 nan 0.000 0.440 330 V N 1.360 121.285 119.914 0.018 0.000 2.427 330 V HA -0.163 3.973 4.120 0.026 0.000 0.248 330 V C 2.082 178.188 176.094 0.019 0.000 1.051 330 V CA 1.363 63.676 62.300 0.020 0.000 1.048 330 V CB -0.178 31.660 31.823 0.026 0.000 0.666 330 V HN 0.347 nan 8.190 nan 0.000 0.456 331 L N 0.156 121.387 121.223 0.014 0.000 2.083 331 L HA -0.182 4.174 4.340 0.026 0.000 0.209 331 L C 2.358 179.236 176.870 0.014 0.000 1.083 331 L CA 2.208 57.055 54.840 0.011 0.000 0.752 331 L CB -0.700 41.358 42.059 -0.001 0.000 0.899 331 L HN 0.460 nan 8.230 nan 0.000 0.433 332 D N 0.207 120.615 120.400 0.013 0.000 2.149 332 D HA -0.239 4.417 4.640 0.026 0.000 0.198 332 D C 1.982 178.292 176.300 0.017 0.000 0.990 332 D CA 1.297 55.306 54.000 0.015 0.000 0.839 332 D CB 0.111 40.920 40.800 0.014 0.000 0.948 332 D HN 0.316 nan 8.370 nan 0.000 0.460 333 E N -0.611 119.600 120.200 0.017 0.000 2.204 333 E HA -0.124 4.241 4.350 0.026 0.000 0.195 333 E C 1.993 178.605 176.600 0.020 0.000 0.990 333 E CA 1.183 57.593 56.400 0.018 0.000 0.821 333 E CB 0.156 29.867 29.700 0.018 0.000 0.750 333 E HN 0.462 nan 8.360 nan 0.000 0.477 334 V N -3.843 116.084 119.914 0.021 0.000 3.621 334 V HA 0.450 4.586 4.120 0.026 0.000 0.285 334 V C 1.091 177.200 176.094 0.025 0.000 1.346 334 V CA 0.443 62.757 62.300 0.024 0.000 1.104 334 V CB 0.348 32.187 31.823 0.026 0.000 0.913 334 V HN 0.227 nan 8.190 nan 0.000 0.432 335 G N 0.923 109.738 108.800 0.024 0.000 2.134 335 G HA2 -0.180 3.795 3.960 0.026 0.000 0.209 335 G HA3 -0.180 3.795 3.960 0.026 0.000 0.209 335 G C -0.222 174.696 174.900 0.029 0.000 0.993 335 G CA 0.142 45.258 45.100 0.026 0.000 0.669 335 G HN 0.592 nan 8.290 nan 0.000 0.519 336 I N 2.002 122.588 120.570 0.026 0.000 2.339 336 I HA 0.363 4.549 4.170 0.026 0.000 0.290 336 I C 0.101 176.227 176.117 0.014 0.000 0.994 336 I CA -0.581 60.733 61.300 0.024 0.000 1.191 336 I CB 1.795 39.807 38.000 0.021 0.000 1.343 336 I HN 0.026 nan 8.210 nan 0.000 0.458 337 T N 6.503 121.065 114.554 0.013 0.000 2.738 337 T HA 0.497 4.863 4.350 0.026 0.000 0.298 337 T C -0.001 174.698 174.700 -0.002 0.000 0.962 337 T CA -0.547 61.557 62.100 0.008 0.000 0.972 337 T CB 0.955 69.831 68.868 0.013 0.000 0.928 337 T HN 0.441 nan 8.240 nan 0.000 0.474 338 V N 1.385 121.295 119.914 -0.008 0.000 3.158 338 V HA 0.724 4.860 4.120 0.026 0.000 0.311 338 V C -0.910 175.176 176.094 -0.013 0.000 1.181 338 V CA -1.480 60.809 62.300 -0.017 0.000 1.054 338 V CB 2.105 33.907 31.823 -0.035 0.000 1.085 338 V HN 0.697 nan 8.190 nan 0.000 0.446 339 N N 0.946 119.635 118.700 -0.018 0.000 2.399 339 N HA 0.475 5.231 4.740 0.026 0.000 0.295 339 N C -0.868 174.625 175.510 -0.028 0.000 1.048 339 N CA -0.961 52.078 53.050 -0.017 0.000 0.886 339 N CB 1.577 40.057 38.487 -0.013 0.000 1.185 339 N HN 0.882 nan 8.380 nan 0.000 0.487 340 K N 0.672 121.057 120.400 -0.026 0.000 2.414 340 K HA 0.544 4.880 4.320 0.026 0.000 0.272 340 K C -0.894 175.678 176.600 -0.046 0.000 0.993 340 K CA -0.538 55.730 56.287 -0.031 0.000 0.964 340 K CB 0.655 33.143 32.500 -0.020 0.000 0.925 340 K HN 0.418 nan 8.250 nan 0.000 0.487 341 A N 1.693 124.482 122.820 -0.051 0.000 2.488 341 A HA 0.329 4.665 4.320 0.026 0.000 0.295 341 A C -0.536 177.011 177.584 -0.062 0.000 1.045 341 A CA -0.839 51.161 52.037 -0.062 0.000 0.703 341 A CB 1.245 20.208 19.000 -0.062 0.000 1.271 341 A HN 0.837 nan 8.150 nan 0.000 0.400 342 T N 0.735 115.246 114.554 -0.071 0.000 2.916 342 T HA 0.493 4.859 4.350 0.026 0.000 0.303 342 T C 0.451 175.109 174.700 -0.070 0.000 1.025 342 T CA 0.147 62.209 62.100 -0.063 0.000 1.142 342 T CB -0.329 68.499 68.868 -0.066 0.000 0.947 342 T HN 1.257 nan 8.240 nan 0.000 0.544 343 I N 0.034 120.559 120.570 -0.075 0.000 2.783 343 I HA 0.632 4.818 4.170 0.026 0.000 0.312 343 I C -2.799 173.231 176.117 -0.146 0.000 0.988 343 I CA -3.664 57.563 61.300 -0.122 0.000 1.182 343 I CB 0.886 38.812 38.000 -0.124 0.000 1.368 343 I HN 0.308 nan 8.210 nan 0.000 0.511 344 P HA 0.014 nan 4.420 nan 0.000 0.262 344 P C -1.241 175.991 177.300 -0.113 0.000 1.182 344 P CA 0.708 63.555 63.100 -0.421 0.000 0.761 344 P CB -0.221 31.261 31.700 -0.363 0.000 0.795 345 Y N -0.480 119.772 120.300 -0.079 0.000 3.929 345 Y HA -0.266 4.300 4.550 0.026 0.000 0.225 345 Y C 0.830 176.741 175.900 0.019 0.000 1.200 345 Y CA 0.336 58.454 58.100 0.030 0.000 1.791 345 Y CB -2.423 36.057 38.460 0.033 0.000 1.561 345 Y HN 0.398 nan 8.280 nan 0.000 0.657 346 D N 2.087 122.523 120.400 0.060 0.000 2.450 346 D HA 0.026 4.682 4.640 0.026 0.000 0.247 346 D C -0.797 175.539 176.300 0.059 0.000 1.162 346 D CA -0.848 53.178 54.000 0.043 0.000 0.879 346 D CB 1.110 41.912 40.800 0.003 0.000 1.163 346 D HN 0.175 nan 8.370 nan 0.000 0.472 347 P HA 0.028 nan 4.420 nan 0.000 0.236 347 P C -0.033 177.294 177.300 0.045 0.000 1.177 347 P CA 0.424 63.558 63.100 0.056 0.000 0.773 347 P CB 0.642 32.374 31.700 0.053 0.000 0.878 348 E N 0.514 120.737 120.200 0.039 0.000 2.250 348 E HA 0.243 4.608 4.350 0.026 0.000 0.269 348 E C 0.409 177.035 176.600 0.043 0.000 1.018 348 E CA -0.451 55.973 56.400 0.040 0.000 0.873 348 E CB 1.252 30.974 29.700 0.036 0.000 1.134 348 E HN 0.056 nan 8.360 nan 0.000 0.403 349 S N 1.142 116.881 115.700 0.066 0.000 2.576 349 S HA 0.082 4.568 4.470 0.026 0.000 0.272 349 S C -1.591 173.047 174.600 0.063 0.000 1.352 349 S CA -0.908 57.349 58.200 0.096 0.000 1.021 349 S CB 0.629 63.931 63.200 0.171 0.000 0.887 349 S HN 0.266 nan 8.310 nan 0.000 0.542 350 P HA -0.019 nan 4.420 nan 0.000 0.228 350 P C 0.565 177.704 177.300 -0.269 0.000 1.151 350 P CA 0.995 63.995 63.100 -0.167 0.000 0.770 350 P CB -0.214 31.311 31.700 -0.291 0.000 0.786 351 F N -1.484 118.456 119.950 -0.017 0.000 2.754 351 F HA 0.028 4.571 4.527 0.026 0.000 0.297 351 F C 2.131 177.926 175.800 -0.008 0.000 1.122 351 F CA 0.399 58.391 58.000 -0.013 0.000 1.400 351 F CB -0.135 38.858 39.000 -0.012 0.000 1.117 351 F HN -0.260 nan 8.300 nan 0.000 0.587 352 V N -1.888 118.107 119.914 0.135 0.000 3.001 352 V HA 0.155 4.291 4.120 0.026 0.000 0.228 352 V C 0.626 176.742 176.094 0.036 0.000 1.204 352 V CA 0.873 63.221 62.300 0.080 0.000 1.247 352 V CB -0.103 31.765 31.823 0.075 0.000 1.093 352 V HN 0.363 nan 8.190 nan 0.000 0.504 353 T N -0.741 113.827 114.554 0.024 0.000 0.541 353 T HA -0.225 4.140 4.350 0.026 0.000 0.774 353 T C 0.158 174.862 174.700 0.007 0.000 0.992 353 T CA 0.380 62.480 62.100 0.001 0.000 4.077 353 T CB -1.451 67.402 68.868 -0.024 0.000 2.303 353 T HN 0.366 nan 8.240 nan 0.000 0.398 354 S N 1.037 116.736 115.700 -0.001 0.000 2.593 354 S HA 0.587 5.073 4.470 0.026 0.000 0.236 354 S C 0.761 175.359 174.600 -0.004 0.000 0.991 354 S CA -0.031 58.173 58.200 0.007 0.000 0.963 354 S CB 0.658 63.866 63.200 0.014 0.000 0.865 354 S HN 1.235 nan 8.310 nan 0.000 0.488 355 G N 1.535 110.323 108.800 -0.020 0.000 2.694 355 G HA2 0.737 4.712 3.960 0.026 0.000 0.290 355 G HA3 0.737 4.712 3.960 0.026 0.000 0.290 355 G C -1.286 173.587 174.900 -0.045 0.000 1.386 355 G CA -0.900 44.179 45.100 -0.036 0.000 0.872 355 G HN 0.308 nan 8.290 nan 0.000 0.475 356 I N -2.028 118.504 120.570 -0.063 0.000 2.608 356 I HA 0.755 4.941 4.170 0.026 0.000 0.295 356 I C -0.461 175.610 176.117 -0.077 0.000 1.049 356 I CA -1.218 60.041 61.300 -0.069 0.000 1.063 356 I CB 2.545 40.497 38.000 -0.080 0.000 1.248 356 I HN 0.449 nan 8.210 nan 0.000 0.424 357 R N 5.662 126.122 120.500 -0.065 0.000 2.346 357 R HA 0.768 5.124 4.340 0.026 0.000 0.311 357 R C -1.594 174.671 176.300 -0.059 0.000 0.983 357 R CA -0.553 55.506 56.100 -0.068 0.000 0.880 357 R CB 1.348 31.613 30.300 -0.058 0.000 1.100 357 R HN 0.816 nan 8.270 nan 0.000 0.453 358 I N 2.592 123.119 120.570 -0.072 0.000 2.582 358 I HA 0.470 4.656 4.170 0.026 0.000 0.292 358 I C -0.031 176.050 176.117 -0.060 0.000 1.066 358 I CA -0.759 60.507 61.300 -0.058 0.000 1.053 358 I CB 2.489 40.447 38.000 -0.070 0.000 1.241 358 I HN 0.772 nan 8.210 nan 0.000 0.421 359 G N 1.302 110.089 108.800 -0.021 0.000 2.574 359 G HA2 0.502 4.477 3.960 0.026 0.000 0.299 359 G HA3 0.502 4.477 3.960 0.026 0.000 0.299 359 G C 0.090 175.009 174.900 0.032 0.000 1.298 359 G CA -0.273 44.829 45.100 0.004 0.000 0.952 359 G HN 0.585 nan 8.290 nan 0.000 0.477 360 T N -2.098 112.489 114.554 0.055 0.000 3.054 360 T HA 0.366 4.731 4.350 0.026 0.000 0.255 360 T C 2.165 176.897 174.700 0.054 0.000 1.035 360 T CA 1.208 63.335 62.100 0.045 0.000 0.941 360 T CB 0.639 69.530 68.868 0.038 0.000 1.026 360 T HN 0.740 nan 8.240 nan 0.000 0.533 361 A N 1.966 124.835 122.820 0.082 0.000 1.883 361 A HA 0.212 4.548 4.320 0.026 0.000 0.217 361 A C 2.706 180.372 177.584 0.137 0.000 1.186 361 A CA 1.924 54.024 52.037 0.106 0.000 0.624 361 A CB -1.371 17.691 19.000 0.103 0.000 0.822 361 A HN 0.736 nan 8.150 nan 0.000 0.444 362 A N -0.194 122.634 122.820 0.012 0.000 1.855 362 A HA 0.027 4.362 4.320 0.026 0.000 0.215 362 A C 2.333 179.975 177.584 0.095 0.000 1.191 362 A CA 2.245 54.244 52.037 -0.063 0.000 0.613 362 A CB -1.317 17.494 19.000 -0.316 0.000 0.829 362 A HN 1.149 nan 8.150 nan 0.000 0.442 363 V N -2.339 117.549 119.914 -0.043 0.000 2.490 363 V HA -0.173 3.963 4.120 0.026 0.000 0.250 363 V C 2.144 178.174 176.094 -0.106 0.000 1.061 363 V CA 2.636 64.752 62.300 -0.307 0.000 1.064 363 V CB -1.889 29.674 31.823 -0.432 0.000 0.670 363 V HN 0.428 nan 8.190 nan 0.000 0.461 364 T N 0.460 115.070 114.554 0.093 0.000 2.777 364 T HA -0.149 4.216 4.350 0.026 0.000 0.266 364 T C 1.959 176.842 174.700 0.306 0.000 1.040 364 T CA 2.192 64.418 62.100 0.210 0.000 1.141 364 T CB -0.633 68.327 68.868 0.153 0.000 0.868 364 T HN 0.630 nan 8.240 nan 0.000 0.444 365 T N 2.367 117.122 114.554 0.335 0.000 2.759 365 T HA -0.143 4.223 4.350 0.026 0.000 0.269 365 T C 1.924 176.694 174.700 0.117 0.000 1.042 365 T CA 1.303 63.499 62.100 0.159 0.000 1.140 365 T CB -0.238 68.708 68.868 0.129 0.000 0.864 365 T HN 0.579 nan 8.240 nan 0.000 0.455 366 R N 0.956 121.519 120.500 0.105 0.000 2.313 366 R HA 0.281 4.637 4.340 0.026 0.000 0.199 366 R C 1.465 177.851 176.300 0.144 0.000 0.958 366 R CA 0.788 56.906 56.100 0.029 0.000 1.047 366 R CB -0.122 30.101 30.300 -0.129 0.000 0.955 366 R HN 0.363 nan 8.270 nan 0.000 0.481 367 G N 0.317 109.236 108.800 0.200 0.000 2.163 367 G HA2 -0.243 3.733 3.960 0.026 0.000 0.213 367 G HA3 -0.243 3.733 3.960 0.026 0.000 0.213 367 G C -0.026 175.083 174.900 0.348 0.000 0.991 367 G CA -0.401 44.842 45.100 0.238 0.000 0.653 367 G HN 0.306 nan 8.290 nan 0.000 0.518 368 F N 0.922 120.912 119.950 0.066 0.000 2.518 368 F HA 0.433 4.977 4.527 0.028 0.000 0.359 368 F C 1.507 177.334 175.800 0.046 0.000 1.118 368 F CA 0.307 58.337 58.000 0.050 0.000 1.287 368 F CB 0.977 40.009 39.000 0.052 0.000 1.132 368 F HN 0.227 nan 8.300 nan 0.000 0.587 369 G N 1.932 110.826 108.800 0.156 0.000 3.262 369 G HA2 0.403 4.379 3.960 0.026 0.000 0.229 369 G HA3 0.403 4.379 3.960 0.026 0.000 0.229 369 G C 0.490 175.426 174.900 0.060 0.000 1.280 369 G CA -0.809 44.347 45.100 0.092 0.000 0.951 369 G HN 0.563 nan 8.290 nan 0.000 0.589 370 L N -0.015 121.228 121.223 0.035 0.000 2.046 370 L HA -0.052 4.304 4.340 0.026 0.000 0.208 370 L C 2.789 179.665 176.870 0.009 0.000 1.077 370 L CA 1.101 55.956 54.840 0.024 0.000 0.747 370 L CB -0.313 41.756 42.059 0.017 0.000 0.896 370 L HN 0.381 nan 8.230 nan 0.000 0.432 371 E N 0.447 120.641 120.200 -0.011 0.000 2.077 371 E HA -0.210 4.155 4.350 0.026 0.000 0.193 371 E C 2.104 178.673 176.600 -0.053 0.000 0.989 371 E CA 1.200 57.582 56.400 -0.030 0.000 0.800 371 E CB -0.130 29.544 29.700 -0.044 0.000 0.746 371 E HN 0.489 nan 8.360 nan 0.000 0.452 372 E N 0.118 120.265 120.200 -0.088 0.000 2.106 372 E HA -0.097 4.269 4.350 0.026 0.000 0.192 372 E C 1.962 178.560 176.600 -0.003 0.000 0.984 372 E CA 0.729 57.039 56.400 -0.150 0.000 0.806 372 E CB -0.138 29.328 29.700 -0.389 0.000 0.750 372 E HN 0.132 nan 8.360 nan 0.000 0.458 373 M N 0.788 120.417 119.600 0.048 0.000 2.086 373 M HA -0.145 4.351 4.480 0.026 0.000 0.261 373 M C 1.379 177.706 176.300 0.045 0.000 1.067 373 M CA 1.422 56.764 55.300 0.070 0.000 1.116 373 M CB -0.962 31.676 32.600 0.063 0.000 1.348 373 M HN 0.039 nan 8.290 nan 0.000 0.407 374 D N 0.184 120.600 120.400 0.026 0.000 2.133 374 D HA -0.200 4.456 4.640 0.026 0.000 0.195 374 D C 1.999 178.314 176.300 0.024 0.000 0.997 374 D CA 1.512 55.527 54.000 0.024 0.000 0.840 374 D CB -0.230 40.577 40.800 0.012 0.000 0.947 374 D HN 0.403 nan 8.370 nan 0.000 0.452 375 E N 0.472 120.676 120.200 0.008 0.000 2.072 375 E HA -0.073 4.292 4.350 0.026 0.000 0.191 375 E C 2.146 178.764 176.600 0.030 0.000 0.985 375 E CA 0.612 57.015 56.400 0.005 0.000 0.801 375 E CB -0.353 29.328 29.700 -0.031 0.000 0.750 375 E HN 0.282 nan 8.360 nan 0.000 0.452 376 I N 0.617 121.215 120.570 0.047 0.000 2.163 376 I HA -0.314 3.872 4.170 0.026 0.000 0.243 376 I C 2.415 178.564 176.117 0.054 0.000 1.085 376 I CA 1.219 62.560 61.300 0.068 0.000 1.347 376 I CB -0.493 37.569 38.000 0.104 0.000 1.044 376 I HN 0.228 nan 8.210 nan 0.000 0.408 377 A N 0.722 123.575 122.820 0.056 0.000 1.908 377 A HA -0.216 4.120 4.320 0.026 0.000 0.218 377 A C 2.541 180.192 177.584 0.112 0.000 1.181 377 A CA 2.061 54.143 52.037 0.074 0.000 0.627 377 A CB -0.913 18.136 19.000 0.081 0.000 0.818 377 A HN 0.458 nan 8.150 nan 0.000 0.445 378 A N -0.246 122.623 122.820 0.083 0.000 1.902 378 A HA -0.070 4.266 4.320 0.026 0.000 0.217 378 A C 2.119 179.752 177.584 0.081 0.000 1.181 378 A CA 1.548 53.632 52.037 0.078 0.000 0.623 378 A CB -0.586 18.442 19.000 0.046 0.000 0.818 378 A HN 0.513 nan 8.150 nan 0.000 0.443 379 I N -0.428 120.182 120.570 0.066 0.000 2.252 379 I HA -0.227 3.958 4.170 0.026 0.000 0.245 379 I C 2.262 178.424 176.117 0.075 0.000 1.102 379 I CA 1.141 62.477 61.300 0.060 0.000 1.385 379 I CB -0.313 37.715 38.000 0.047 0.000 1.064 379 I HN 0.287 nan 8.210 nan 0.000 0.414 380 I N 0.795 121.409 120.570 0.074 0.000 2.163 380 I HA -0.244 3.941 4.170 0.026 0.000 0.243 380 I C 2.696 178.939 176.117 0.210 0.000 1.085 380 I CA 1.713 63.050 61.300 0.063 0.000 1.347 380 I CB -0.963 36.998 38.000 -0.065 0.000 1.044 380 I HN 0.283 nan 8.210 nan 0.000 0.408 381 G N 1.133 110.129 108.800 0.327 0.000 2.459 381 G HA2 -0.294 3.682 3.960 0.026 0.000 0.217 381 G HA3 -0.294 3.682 3.960 0.026 0.000 0.217 381 G C 1.647 176.651 174.900 0.173 0.000 1.183 381 G CA 0.883 46.197 45.100 0.357 0.000 0.776 381 G HN 0.280 nan 8.290 nan 0.000 0.552 382 L N 0.753 122.044 121.223 0.113 0.000 2.013 382 L HA -0.103 4.253 4.340 0.026 0.000 0.212 382 L C 2.919 179.833 176.870 0.073 0.000 1.073 382 L CA 1.732 56.615 54.840 0.071 0.000 0.753 382 L CB -0.609 41.482 42.059 0.054 0.000 0.890 382 L HN 0.106 nan 8.230 nan 0.000 0.432 383 V N -0.408 119.558 119.914 0.086 0.000 2.244 383 V HA -0.280 3.855 4.120 0.026 0.000 0.244 383 V C 2.472 178.620 176.094 0.090 0.000 1.042 383 V CA 2.069 64.413 62.300 0.073 0.000 1.006 383 V CB -0.551 31.308 31.823 0.060 0.000 0.641 383 V HN 0.449 nan 8.190 nan 0.000 0.446 384 L N -0.623 120.687 121.223 0.144 0.000 2.291 384 L HA -0.082 4.274 4.340 0.026 0.000 0.214 384 L C 2.237 179.185 176.870 0.130 0.000 1.120 384 L CA 1.203 56.144 54.840 0.168 0.000 0.799 384 L CB -0.499 41.734 42.059 0.290 0.000 0.925 384 L HN 0.309 nan 8.230 nan 0.000 0.446 385 K N 0.248 120.707 120.400 0.098 0.000 2.426 385 K HA 0.039 4.374 4.320 0.026 0.000 0.193 385 K C 0.007 176.624 176.600 0.029 0.000 1.028 385 K CA 0.382 56.690 56.287 0.035 0.000 1.047 385 K CB 0.174 32.671 32.500 -0.004 0.000 0.821 385 K HN 0.302 nan 8.250 nan 0.000 0.513 386 N N -0.412 118.312 118.700 0.041 0.000 2.598 386 N HA 0.039 4.795 4.740 0.026 0.000 0.295 386 N C 0.166 175.695 175.510 0.032 0.000 1.729 386 N CA -0.080 52.988 53.050 0.030 0.000 0.877 386 N CB 1.369 39.872 38.487 0.027 0.000 1.405 386 N HN -0.202 nan 8.380 nan 0.000 0.491 387 V N -0.450 119.485 119.914 0.036 0.000 2.720 387 V HA -0.106 4.029 4.120 0.026 0.000 0.256 387 V C 2.031 178.140 176.094 0.026 0.000 1.082 387 V CA 2.169 64.489 62.300 0.034 0.000 1.101 387 V CB -0.394 31.451 31.823 0.037 0.000 0.693 387 V HN 0.599 nan 8.190 nan 0.000 0.479 388 G N -1.259 107.554 108.800 0.022 0.000 3.088 388 G HA2 0.059 4.034 3.960 0.026 0.000 0.217 388 G HA3 0.059 4.034 3.960 0.026 0.000 0.217 388 G C 0.607 175.516 174.900 0.016 0.000 1.159 388 G CA 0.572 45.682 45.100 0.018 0.000 0.760 388 G HN 0.422 nan 8.290 nan 0.000 0.550 389 S N 0.513 116.223 115.700 0.017 0.000 2.474 389 S HA 0.308 4.794 4.470 0.026 0.000 0.320 389 S C 1.129 175.739 174.600 0.016 0.000 1.067 389 S CA -0.569 57.641 58.200 0.016 0.000 1.127 389 S CB 0.767 63.976 63.200 0.015 0.000 0.971 389 S HN 0.172 nan 8.310 nan 0.000 0.472 390 E N 3.492 123.701 120.200 0.014 0.000 2.160 390 E HA -0.220 4.145 4.350 0.026 0.000 0.195 390 E C 2.116 178.724 176.600 0.014 0.000 0.991 390 E CA 1.392 57.801 56.400 0.014 0.000 0.810 390 E CB -0.108 29.600 29.700 0.012 0.000 0.742 390 E HN 0.978 nan 8.360 nan 0.000 0.466 391 Q N 0.289 120.096 119.800 0.013 0.000 2.084 391 Q HA -0.044 4.311 4.340 0.026 0.000 0.202 391 Q C 2.154 178.163 176.000 0.015 0.000 0.978 391 Q CA 1.598 57.408 55.803 0.013 0.000 0.844 391 Q CB -0.378 28.366 28.738 0.011 0.000 0.898 391 Q HN 0.136 nan 8.270 nan 0.000 0.426 392 A N 1.907 124.736 122.820 0.016 0.000 1.902 392 A HA -0.096 4.239 4.320 0.026 0.000 0.217 392 A C 2.260 179.858 177.584 0.023 0.000 1.181 392 A CA 1.335 53.384 52.037 0.020 0.000 0.623 392 A CB -0.715 18.298 19.000 0.022 0.000 0.818 392 A HN 0.388 nan 8.150 nan 0.000 0.443 393 L N -0.955 120.282 121.223 0.022 0.000 2.083 393 L HA -0.179 4.176 4.340 0.026 0.000 0.209 393 L C 2.649 179.531 176.870 0.021 0.000 1.083 393 L CA 1.716 56.570 54.840 0.023 0.000 0.752 393 L CB -0.546 41.526 42.059 0.022 0.000 0.899 393 L HN 0.465 nan 8.230 nan 0.000 0.433 394 E N 0.811 121.022 120.200 0.018 0.000 2.072 394 E HA -0.266 4.100 4.350 0.026 0.000 0.191 394 E C 2.009 178.619 176.600 0.017 0.000 0.985 394 E CA 1.484 57.893 56.400 0.016 0.000 0.801 394 E CB -0.025 29.683 29.700 0.014 0.000 0.750 394 E HN 0.412 nan 8.360 nan 0.000 0.452 395 E N -0.363 119.847 120.200 0.017 0.000 2.058 395 E HA -0.240 4.126 4.350 0.026 0.000 0.194 395 E C 1.955 178.567 176.600 0.019 0.000 0.997 395 E CA 1.217 57.627 56.400 0.016 0.000 0.801 395 E CB -0.290 29.420 29.700 0.016 0.000 0.746 395 E HN 0.328 nan 8.360 nan 0.000 0.450 396 A N 1.415 124.249 122.820 0.023 0.000 1.883 396 A HA -0.237 4.098 4.320 0.026 0.000 0.217 396 A C 2.226 179.826 177.584 0.026 0.000 1.186 396 A CA 1.765 53.818 52.037 0.027 0.000 0.624 396 A CB -0.662 18.357 19.000 0.032 0.000 0.822 396 A HN 0.245 nan 8.150 nan 0.000 0.444 397 R N -0.641 119.874 120.500 0.024 0.000 2.083 397 R HA -0.204 4.151 4.340 0.026 0.000 0.237 397 R C 2.474 178.787 176.300 0.021 0.000 1.137 397 R CA 2.041 58.154 56.100 0.023 0.000 0.951 397 R CB -0.286 30.027 30.300 0.020 0.000 0.851 397 R HN 0.730 nan 8.270 nan 0.000 0.434 398 Q N -0.644 119.167 119.800 0.018 0.000 2.119 398 Q HA -0.144 4.211 4.340 0.026 0.000 0.201 398 Q C 2.170 178.178 176.000 0.014 0.000 0.972 398 Q CA 1.412 57.224 55.803 0.016 0.000 0.847 398 Q CB 0.030 28.775 28.738 0.013 0.000 0.903 398 Q HN 0.315 nan 8.270 nan 0.000 0.433 399 R N -0.240 120.269 120.500 0.015 0.000 2.115 399 R HA -0.072 4.283 4.340 0.026 0.000 0.230 399 R C 2.288 178.598 176.300 0.016 0.000 1.111 399 R CA 0.917 57.024 56.100 0.011 0.000 0.976 399 R CB -0.173 30.135 30.300 0.013 0.000 0.870 399 R HN 0.068 nan 8.270 nan 0.000 0.445 400 V N 0.997 120.927 119.914 0.028 0.000 2.295 400 V HA -0.245 3.890 4.120 0.026 0.000 0.246 400 V C 2.420 178.535 176.094 0.036 0.000 1.049 400 V CA 2.036 64.361 62.300 0.042 0.000 1.024 400 V CB -0.696 31.152 31.823 0.043 0.000 0.648 400 V HN 0.408 nan 8.190 nan 0.000 0.447 401 A N -0.032 122.803 122.820 0.025 0.000 1.940 401 A HA -0.152 4.183 4.320 0.026 0.000 0.219 401 A C 2.411 180.005 177.584 0.017 0.000 1.176 401 A CA 2.138 54.188 52.037 0.022 0.000 0.631 401 A CB -0.771 18.243 19.000 0.023 0.000 0.814 401 A HN 0.591 nan 8.150 nan 0.000 0.446 402 A N -0.450 122.375 122.820 0.008 0.000 1.933 402 A HA -0.037 4.299 4.320 0.026 0.000 0.218 402 A C 2.164 179.732 177.584 -0.026 0.000 1.175 402 A CA 1.487 53.520 52.037 -0.006 0.000 0.628 402 A CB -0.516 18.476 19.000 -0.013 0.000 0.814 402 A HN 0.481 nan 8.150 nan 0.000 0.444 403 L N -0.350 120.857 121.223 -0.027 0.000 2.109 403 L HA -0.118 4.238 4.340 0.026 0.000 0.207 403 L C 2.775 179.658 176.870 0.021 0.000 1.086 403 L CA 1.754 56.547 54.840 -0.079 0.000 0.760 403 L CB -0.452 41.579 42.059 -0.047 0.000 0.910 403 L HN 0.642 nan 8.230 nan 0.000 0.437 404 T N -4.285 110.308 114.554 0.064 0.000 3.100 404 T HA 0.028 4.393 4.350 0.026 0.000 0.253 404 T C 0.536 175.203 174.700 -0.055 0.000 1.118 404 T CA 0.101 62.199 62.100 -0.003 0.000 1.058 404 T CB 0.017 68.813 68.868 -0.120 0.000 0.953 404 T HN 0.505 nan 8.240 nan 0.000 0.515 405 D N 0.000 120.413 120.400 0.021 0.000 6.856 405 D HA 0.000 4.656 4.640 0.026 0.000 0.175 405 D CA 0.000 54.040 54.000 0.066 0.000 0.868 405 D CB 0.000 40.858 40.800 0.097 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683