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 1je1_1_C DATA FIRST_RESID 2 DATA SEQUENCE NPVHILAKKG EVAERVLVVG DPGRARLLST LLQNPKLTNE NRGFLVYTGK DATA SEQUENCE YNGETVSIAT HGIGGPSIAI VLEELAMLGA NVFIRYGTTG ALVPYINLGE DATA SEQUENCE YIIVTGASYN QGGLFYQYLR DNACVASTPD FELTNKLVTS FSKRNLKYYV DATA SEQUENCE GNVFSSDAFY AEDEEFVKKW SSRGNIAVEM ECATLFTLSK VKGWKSATVL DATA SEQUENCE VVSDNLAKGG IWITKEELEK SVMDGAKAVL DTLTS 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.525 175.510 0.026 0.000 1.280 2 N CA 0.000 53.062 53.050 0.021 0.000 0.885 2 N CB 0.000 38.495 38.487 0.013 0.000 1.341 3 P HA 0.047 nan 4.420 nan 0.000 0.264 3 P C 0.878 178.195 177.300 0.029 0.000 1.183 3 P CA -0.187 62.941 63.100 0.048 0.000 0.763 3 P CB 0.575 32.299 31.700 0.040 0.000 0.807 4 V N -1.122 118.811 119.914 0.032 0.000 3.528 4 V HA 0.173 4.293 4.120 0.000 0.000 0.294 4 V C 0.711 176.663 176.094 -0.236 0.000 1.404 4 V CA 0.709 62.946 62.300 -0.105 0.000 1.065 4 V CB -0.723 30.996 31.823 -0.173 0.000 0.904 4 V HN 0.494 nan 8.190 nan 0.000 0.435 5 H N 0.180 119.257 119.070 0.011 0.000 2.426 5 H HA 0.498 5.054 4.556 -0.000 0.000 0.286 5 H C 0.609 175.964 175.328 0.045 0.000 0.990 5 H CA 0.275 56.349 56.048 0.043 0.000 1.237 5 H CB 0.489 30.244 29.762 -0.011 0.000 1.466 5 H HN 0.220 nan 8.280 nan 0.000 0.525 6 I N 3.181 123.825 120.570 0.123 0.000 2.282 6 I HA 0.075 4.245 4.170 0.000 0.000 0.290 6 I C -0.355 175.786 176.117 0.039 0.000 1.090 6 I CA 0.154 61.491 61.300 0.061 0.000 1.231 6 I CB -0.012 37.990 38.000 0.004 0.000 1.434 6 I HN 0.255 nan 8.210 nan 0.000 0.487 7 L N 5.899 127.144 121.223 0.035 0.000 2.480 7 L HA 0.395 4.735 4.340 0.000 0.000 0.243 7 L C 0.734 177.607 176.870 0.005 0.000 1.315 7 L CA -0.171 54.678 54.840 0.015 0.000 1.231 7 L CB -0.298 41.767 42.059 0.010 0.000 1.444 7 L HN 0.589 nan 8.230 nan 0.000 0.409 8 A N 1.958 124.780 122.820 0.003 0.000 2.337 8 A HA 0.715 5.035 4.320 0.000 0.000 0.331 8 A C -0.175 177.407 177.584 -0.002 0.000 1.137 8 A CA -0.726 51.308 52.037 -0.004 0.000 0.807 8 A CB 1.352 20.348 19.000 -0.007 0.000 1.250 8 A HN 0.440 nan 8.150 nan 0.000 0.468 9 K N 0.640 121.038 120.400 -0.004 0.000 2.109 9 K HA 0.302 4.622 4.320 0.000 0.000 0.243 9 K C -0.000 176.598 176.600 -0.002 0.000 1.006 9 K CA -0.740 55.545 56.287 -0.002 0.000 0.917 9 K CB 0.829 33.327 32.500 -0.003 0.000 1.081 9 K HN 0.705 nan 8.250 nan 0.000 0.468 10 K N 0.361 120.761 120.400 -0.000 0.000 2.511 10 K HA -0.103 4.217 4.320 0.000 0.000 0.280 10 K C 0.630 177.228 176.600 -0.003 0.000 1.008 10 K CA 1.264 57.551 56.287 -0.000 0.000 1.050 10 K CB -0.137 32.364 32.500 0.001 0.000 0.889 10 K HN 0.764 nan 8.250 nan 0.000 0.484 11 G N 3.219 112.016 108.800 -0.005 0.000 2.184 11 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 11 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 11 G C 0.596 175.491 174.900 -0.007 0.000 0.975 11 G CA 0.662 45.758 45.100 -0.007 0.000 0.642 11 G HN 0.822 nan 8.290 nan 0.000 0.536 12 E N -0.639 119.557 120.200 -0.007 0.000 2.230 12 E HA 0.177 4.527 4.350 0.000 0.000 0.192 12 E C 0.789 177.384 176.600 -0.008 0.000 0.987 12 E CA 0.714 57.110 56.400 -0.006 0.000 0.841 12 E CB 0.406 30.101 29.700 -0.007 0.000 0.783 12 E HN 0.398 nan 8.360 nan 0.000 0.481 13 V N 1.906 121.811 119.914 -0.014 0.000 2.407 13 V HA 0.350 4.470 4.120 0.000 0.000 0.278 13 V C 0.288 176.360 176.094 -0.037 0.000 1.037 13 V CA -0.653 61.634 62.300 -0.022 0.000 0.900 13 V CB 1.196 33.004 31.823 -0.026 0.000 0.983 13 V HN 0.126 nan 8.190 nan 0.000 0.459 14 A N 3.485 126.280 122.820 -0.042 0.000 2.346 14 A HA 0.346 4.666 4.320 0.000 0.000 0.252 14 A C 1.089 178.608 177.584 -0.109 0.000 1.089 14 A CA -0.166 51.837 52.037 -0.058 0.000 0.797 14 A CB 0.201 19.175 19.000 -0.043 0.000 1.047 14 A HN 0.927 nan 8.150 nan 0.000 0.494 15 E N -0.117 120.016 120.200 -0.112 0.000 2.107 15 E HA -0.099 4.251 4.350 0.000 0.000 0.191 15 E C 0.001 176.454 176.600 -0.245 0.000 0.982 15 E CA 0.843 57.145 56.400 -0.163 0.000 0.809 15 E CB 0.062 29.696 29.700 -0.110 0.000 0.756 15 E HN 0.528 nan 8.360 nan 0.000 0.459 16 R N 0.374 120.765 120.500 -0.181 0.000 2.294 16 R HA 0.343 4.683 4.340 0.000 0.000 0.319 16 R C -1.053 175.147 176.300 -0.167 0.000 0.984 16 R CA -0.251 55.735 56.100 -0.190 0.000 0.861 16 R CB 1.806 32.041 30.300 -0.108 0.000 1.104 16 R HN -0.167 nan 8.270 nan 0.000 0.451 17 V N 4.071 123.866 119.914 -0.199 0.000 2.709 17 V HA 0.367 4.487 4.120 0.000 0.000 0.308 17 V C -0.710 175.401 176.094 0.028 0.000 1.062 17 V CA -0.939 61.317 62.300 -0.074 0.000 0.901 17 V CB 2.131 33.926 31.823 -0.047 0.000 1.003 17 V HN 0.622 nan 8.190 nan 0.000 0.425 18 L N 6.157 127.407 121.223 0.045 0.000 2.257 18 L HA 0.727 5.067 4.340 0.000 0.000 0.290 18 L C -0.368 176.584 176.870 0.137 0.000 1.044 18 L CA -0.502 54.385 54.840 0.078 0.000 0.810 18 L CB 1.292 43.361 42.059 0.017 0.000 1.193 18 L HN 0.691 nan 8.230 nan 0.000 0.425 19 V N 4.508 124.539 119.914 0.194 0.000 2.435 19 V HA 0.786 4.906 4.120 0.000 0.000 0.290 19 V C -0.288 175.924 176.094 0.197 0.000 1.030 19 V CA -0.475 61.955 62.300 0.216 0.000 0.881 19 V CB 1.435 33.423 31.823 0.275 0.000 0.983 19 V HN 0.582 nan 8.190 nan 0.000 0.445 20 V N 1.730 121.664 119.914 0.033 0.000 2.962 20 V HA 0.911 5.031 4.120 0.000 0.000 0.313 20 V C 0.930 176.654 176.094 -0.617 0.000 1.099 20 V CA 0.231 62.440 62.300 -0.152 0.000 0.971 20 V CB 1.475 33.281 31.823 -0.029 0.000 1.028 20 V HN 1.003 nan 8.190 nan 0.000 0.430 21 G N 0.800 109.184 108.800 -0.693 0.000 2.408 21 G HA2 -0.015 3.945 3.960 0.000 0.000 0.215 21 G HA3 -0.015 3.945 3.960 0.000 0.000 0.215 21 G C 0.313 175.059 174.900 -0.257 0.000 1.156 21 G CA 0.882 45.573 45.100 -0.682 0.000 0.793 21 G HN 0.852 nan 8.290 nan 0.000 0.535 22 D N 0.333 120.633 120.400 -0.167 0.000 2.280 22 D HA 0.260 4.900 4.640 0.000 0.000 0.243 22 D C -0.990 175.280 176.300 -0.049 0.000 1.129 22 D CA -2.583 51.362 54.000 -0.091 0.000 0.848 22 D CB 2.129 42.884 40.800 -0.075 0.000 1.107 22 D HN -0.003 nan 8.370 nan 0.000 0.471 23 P HA -0.084 nan 4.420 nan 0.000 0.220 23 P C 1.304 178.626 177.300 0.036 0.000 1.148 23 P CA 0.817 63.929 63.100 0.019 0.000 0.803 23 P CB 0.205 31.901 31.700 -0.007 0.000 0.782 24 G N 0.444 109.247 108.800 0.004 0.000 2.422 24 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 24 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 24 G C 1.905 176.806 174.900 0.002 0.000 1.146 24 G CA 0.488 45.591 45.100 0.005 0.000 0.769 24 G HN 0.264 nan 8.290 nan 0.000 0.547 25 R N 0.336 120.834 120.500 -0.005 0.000 2.115 25 R HA 0.169 4.509 4.340 0.000 0.000 0.226 25 R C 2.837 179.140 176.300 0.006 0.000 1.100 25 R CA 1.160 57.259 56.100 -0.001 0.000 0.980 25 R CB -0.267 30.025 30.300 -0.013 0.000 0.875 25 R HN 0.272 nan 8.270 nan 0.000 0.445 26 A N 1.062 123.900 122.820 0.030 0.000 1.877 26 A HA -0.198 4.122 4.320 0.000 0.000 0.216 26 A C 2.171 179.706 177.584 -0.081 0.000 1.186 26 A CA 1.482 53.557 52.037 0.062 0.000 0.620 26 A CB -0.536 18.576 19.000 0.186 0.000 0.822 26 A HN 0.359 nan 8.150 nan 0.000 0.443 27 R N -0.957 119.513 120.500 -0.051 0.000 2.066 27 R HA -0.113 4.227 4.340 0.000 0.000 0.232 27 R C 2.099 178.246 176.300 -0.255 0.000 1.131 27 R CA 1.619 57.569 56.100 -0.251 0.000 0.955 27 R CB -0.430 29.878 30.300 0.015 0.000 0.851 27 R HN 0.435 nan 8.270 nan 0.000 0.432 28 L N 1.106 122.261 121.223 -0.112 0.000 2.042 28 L HA -0.142 4.198 4.340 0.000 0.000 0.210 28 L C 1.902 178.720 176.870 -0.088 0.000 1.076 28 L CA 1.725 56.520 54.840 -0.076 0.000 0.749 28 L CB -0.350 41.694 42.059 -0.025 0.000 0.893 28 L HN 0.250 nan 8.230 nan 0.000 0.432 29 L N -0.653 120.520 121.223 -0.083 0.000 2.291 29 L HA -0.106 4.234 4.340 0.000 0.000 0.214 29 L C 2.561 179.355 176.870 -0.126 0.000 1.120 29 L CA 1.018 55.819 54.840 -0.065 0.000 0.799 29 L CB -0.764 41.289 42.059 -0.010 0.000 0.925 29 L HN 0.503 nan 8.230 nan 0.000 0.446 30 S N -0.946 114.596 115.700 -0.265 0.000 2.442 30 S HA -0.181 4.289 4.470 0.000 0.000 0.236 30 S C 1.966 176.460 174.600 -0.176 0.000 1.007 30 S CA 1.413 59.414 58.200 -0.330 0.000 0.965 30 S CB -0.915 61.750 63.200 -0.891 0.000 0.773 30 S HN 0.583 nan 8.310 nan 0.000 0.504 31 T N -0.106 114.365 114.554 -0.138 0.000 3.098 31 T HA 0.202 4.552 4.350 0.000 0.000 0.266 31 T C 1.420 176.109 174.700 -0.019 0.000 1.145 31 T CA 0.494 62.554 62.100 -0.065 0.000 1.092 31 T CB -0.626 68.212 68.868 -0.050 0.000 0.908 31 T HN 0.451 nan 8.240 nan 0.000 0.526 32 L N -0.110 121.108 121.223 -0.009 0.000 2.558 32 L HA 0.401 4.741 4.340 0.000 0.000 0.225 32 L C 0.725 177.669 176.870 0.123 0.000 1.128 32 L CA 0.018 54.891 54.840 0.055 0.000 0.868 32 L CB -0.128 41.954 42.059 0.038 0.000 1.006 32 L HN 0.273 nan 8.230 nan 0.000 0.454 33 L N -0.483 120.782 121.223 0.071 0.000 2.387 33 L HA 0.304 4.644 4.340 0.000 0.000 0.266 33 L C -0.049 176.856 176.870 0.059 0.000 1.059 33 L CA -0.678 54.221 54.840 0.099 0.000 0.801 33 L CB 0.974 43.074 42.059 0.069 0.000 1.223 33 L HN 0.041 nan 8.230 nan 0.000 0.456 34 Q N 1.707 121.540 119.800 0.055 0.000 2.294 34 Q HA 0.200 4.540 4.340 0.000 0.000 0.257 34 Q C -0.667 175.352 176.000 0.032 0.000 0.955 34 Q CA -0.521 55.298 55.803 0.027 0.000 0.936 34 Q CB 0.532 29.276 28.738 0.010 0.000 1.188 34 Q HN 0.412 nan 8.270 nan 0.000 0.420 35 N N 1.460 120.177 118.700 0.028 0.000 2.667 35 N HA -0.123 4.617 4.740 0.000 0.000 0.263 35 N C -2.634 172.908 175.510 0.053 0.000 1.038 35 N CA 0.287 53.357 53.050 0.034 0.000 0.749 35 N CB -1.006 37.497 38.487 0.026 0.000 0.892 35 N HN 0.459 nan 8.380 nan 0.000 0.546 36 P HA 0.127 nan 4.420 nan 0.000 0.268 36 P C -0.185 177.204 177.300 0.148 0.000 1.204 36 P CA 0.493 63.662 63.100 0.115 0.000 0.768 36 P CB 0.654 32.410 31.700 0.093 0.000 0.842 37 K N 2.284 122.780 120.400 0.160 0.000 2.426 37 K HA 0.432 4.752 4.320 0.000 0.000 0.254 37 K C -0.960 175.677 176.600 0.061 0.000 0.936 37 K CA -0.969 55.379 56.287 0.102 0.000 0.801 37 K CB 1.635 34.166 32.500 0.051 0.000 1.139 37 K HN 0.243 nan 8.250 nan 0.000 0.424 38 L N 3.737 124.941 121.223 -0.033 0.000 2.342 38 L HA 0.124 4.464 4.340 0.000 0.000 0.285 38 L C 0.943 177.711 176.870 -0.170 0.000 1.095 38 L CA 0.579 55.247 54.840 -0.287 0.000 0.843 38 L CB 0.423 42.306 42.059 -0.293 0.000 1.201 38 L HN 0.862 nan 8.230 nan 0.000 0.445 39 T N 0.858 115.316 114.554 -0.159 0.000 3.081 39 T HA 0.209 4.559 4.350 0.000 0.000 0.255 39 T C 0.643 175.297 174.700 -0.076 0.000 1.113 39 T CA 0.325 62.376 62.100 -0.083 0.000 1.082 39 T CB -0.337 68.504 68.868 -0.046 0.000 0.939 39 T HN 0.567 nan 8.240 nan 0.000 0.506 40 N N 0.458 119.091 118.700 -0.111 0.000 2.636 40 N HA 0.278 5.018 4.740 0.000 0.000 0.261 40 N C -0.568 174.900 175.510 -0.071 0.000 1.195 40 N CA -0.576 52.439 53.050 -0.059 0.000 0.902 40 N CB 1.613 40.094 38.487 -0.009 0.000 1.627 40 N HN 0.286 nan 8.380 nan 0.000 0.491 41 E N 0.488 120.672 120.200 -0.026 0.000 2.703 41 E HA 0.138 4.488 4.350 0.000 0.000 0.214 41 E C -0.722 175.887 176.600 0.015 0.000 0.944 41 E CA -0.485 55.903 56.400 -0.021 0.000 1.299 41 E CB -0.180 29.492 29.700 -0.047 0.000 1.189 41 E HN 0.429 nan 8.360 nan 0.000 0.597 42 N N 2.229 120.957 118.700 0.048 0.000 2.412 42 N HA -0.021 4.719 4.740 0.000 0.000 0.254 42 N C 0.011 175.592 175.510 0.118 0.000 1.232 42 N CA 0.576 53.666 53.050 0.067 0.000 0.880 42 N CB 0.279 38.811 38.487 0.075 0.000 1.076 42 N HN 0.257 nan 8.380 nan 0.000 0.458 43 R N 2.085 122.615 120.500 0.050 0.000 3.946 43 R HA -0.231 4.109 4.340 0.000 0.000 0.329 43 R C 0.949 177.098 176.300 -0.252 0.000 1.209 43 R CA 0.821 56.914 56.100 -0.011 0.000 0.909 43 R CB -1.996 28.418 30.300 0.190 0.000 1.355 43 R HN 1.019 nan 8.270 nan 0.000 0.539 44 G N -0.819 107.878 108.800 -0.172 0.000 2.199 44 G HA2 -0.344 3.616 3.960 0.000 0.000 0.254 44 G HA3 -0.344 3.616 3.960 0.000 0.000 0.254 44 G C 0.148 174.900 174.900 -0.246 0.000 0.982 44 G CA 0.266 45.223 45.100 -0.238 0.000 0.632 44 G HN 0.316 nan 8.290 nan 0.000 0.529 45 F N 2.267 122.221 119.950 0.007 0.000 2.619 45 F HA 0.457 4.984 4.527 -0.000 0.000 0.350 45 F C 1.374 177.166 175.800 -0.014 0.000 1.259 45 F CA -0.570 57.433 58.000 0.005 0.000 1.204 45 F CB 0.179 39.191 39.000 0.020 0.000 1.556 45 F HN -0.008 nan 8.300 nan 0.000 0.650 46 L N 3.263 124.555 121.223 0.114 0.000 2.453 46 L HA 0.254 4.594 4.340 0.000 0.000 0.272 46 L C -0.099 176.791 176.870 0.033 0.000 1.182 46 L CA -0.321 54.532 54.840 0.021 0.000 0.858 46 L CB 0.367 42.471 42.059 0.075 0.000 1.120 46 L HN 0.157 nan 8.230 nan 0.000 0.474 47 V N 3.607 123.444 119.914 -0.129 0.000 2.577 47 V HA 0.424 4.544 4.120 0.000 0.000 0.303 47 V C -0.946 175.017 176.094 -0.219 0.000 1.042 47 V CA -0.653 61.617 62.300 -0.050 0.000 0.872 47 V CB 1.830 33.645 31.823 -0.014 0.000 0.998 47 V HN 0.407 nan 8.190 nan 0.000 0.423 48 Y N 1.378 121.696 120.300 0.029 0.000 2.485 48 Y HA 0.744 5.294 4.550 -0.000 0.000 0.345 48 Y C 0.473 176.383 175.900 0.016 0.000 0.998 48 Y CA -0.696 57.417 58.100 0.022 0.000 1.059 48 Y CB 2.597 41.070 38.460 0.022 0.000 1.234 48 Y HN 0.526 nan 8.280 nan 0.000 0.461 49 T N 1.615 116.264 114.554 0.158 0.000 2.881 49 T HA 0.759 5.109 4.350 0.000 0.000 0.290 49 T C -0.150 174.604 174.700 0.091 0.000 1.000 49 T CA -0.681 61.474 62.100 0.092 0.000 0.978 49 T CB 1.570 70.466 68.868 0.045 0.000 0.997 49 T HN 0.990 nan 8.240 nan 0.000 0.443 50 G N 2.003 110.848 108.800 0.074 0.000 2.664 50 G HA2 0.638 4.598 3.960 0.000 0.000 0.303 50 G HA3 0.638 4.598 3.960 0.000 0.000 0.303 50 G C -1.912 173.025 174.900 0.061 0.000 1.243 50 G CA -0.798 44.341 45.100 0.066 0.000 0.826 50 G HN 0.559 nan 8.290 nan 0.000 0.498 51 K N -0.640 119.798 120.400 0.064 0.000 2.318 51 K HA 0.576 4.896 4.320 0.000 0.000 0.249 51 K C -2.050 174.624 176.600 0.122 0.000 0.942 51 K CA -0.712 55.617 56.287 0.070 0.000 0.808 51 K CB 2.832 35.350 32.500 0.030 0.000 1.189 51 K HN 0.485 nan 8.250 nan 0.000 0.428 52 Y N 1.999 122.285 120.300 -0.023 0.000 2.386 52 Y HA 0.166 4.716 4.550 0.000 0.000 0.334 52 Y C -0.391 175.489 175.900 -0.033 0.000 1.002 52 Y CA -0.693 57.389 58.100 -0.031 0.000 1.068 52 Y CB 1.147 39.584 38.460 -0.038 0.000 1.203 52 Y HN 0.737 nan 8.280 nan 0.000 0.443 53 N N 3.895 122.307 118.700 -0.480 0.000 2.708 53 N HA -0.219 4.521 4.740 0.000 0.000 0.249 53 N C 0.971 176.408 175.510 -0.122 0.000 1.097 53 N CA 1.857 54.724 53.050 -0.305 0.000 0.710 53 N CB -1.187 37.161 38.487 -0.232 0.000 1.032 53 N HN 1.438 nan 8.380 nan 0.000 0.551 54 G N -1.588 107.159 108.800 -0.089 0.000 2.205 54 G HA2 -0.326 3.634 3.960 0.000 0.000 0.261 54 G HA3 -0.326 3.634 3.960 0.000 0.000 0.261 54 G C -0.199 174.694 174.900 -0.012 0.000 0.980 54 G CA 0.683 45.757 45.100 -0.043 0.000 0.632 54 G HN 0.447 nan 8.290 nan 0.000 0.533 55 E N 1.137 121.343 120.200 0.010 0.000 2.231 55 E HA 0.469 4.819 4.350 0.000 0.000 0.277 55 E C 0.105 176.730 176.600 0.041 0.000 0.999 55 E CA -0.198 56.218 56.400 0.026 0.000 0.827 55 E CB 1.175 30.897 29.700 0.037 0.000 1.101 55 E HN 0.160 nan 8.360 nan 0.000 0.393 56 T N 1.461 116.028 114.554 0.022 0.000 2.884 56 T HA 0.331 4.681 4.350 0.000 0.000 0.298 56 T C -0.027 174.682 174.700 0.015 0.000 0.998 56 T CA -0.214 61.898 62.100 0.021 0.000 1.124 56 T CB 0.767 69.639 68.868 0.007 0.000 0.931 56 T HN 0.237 nan 8.240 nan 0.000 0.531 57 V N 2.167 122.094 119.914 0.022 0.000 3.232 57 V HA 0.732 4.852 4.120 0.000 0.000 0.303 57 V C -1.298 174.805 176.094 0.014 0.000 1.311 57 V CA -0.567 61.735 62.300 0.003 0.000 1.061 57 V CB 2.795 34.617 31.823 -0.001 0.000 1.085 57 V HN 0.902 nan 8.190 nan 0.000 0.447 58 S N 2.924 118.626 115.700 0.004 0.000 2.568 58 S HA 0.761 5.231 4.470 0.000 0.000 0.293 58 S C -1.059 173.572 174.600 0.052 0.000 1.089 58 S CA -0.501 57.721 58.200 0.037 0.000 0.945 58 S CB 1.721 64.934 63.200 0.022 0.000 1.077 58 S HN 0.615 nan 8.310 nan 0.000 0.485 59 I N 1.929 122.562 120.570 0.105 0.000 2.439 59 I HA 0.631 4.801 4.170 0.000 0.000 0.285 59 I C -0.278 175.938 176.117 0.165 0.000 1.021 59 I CA -0.526 60.846 61.300 0.120 0.000 1.091 59 I CB 1.513 39.578 38.000 0.108 0.000 1.242 59 I HN 0.685 nan 8.210 nan 0.000 0.439 60 A N 4.120 127.023 122.820 0.138 0.000 2.374 60 A HA 0.817 5.137 4.320 0.000 0.000 0.317 60 A C -0.363 177.298 177.584 0.127 0.000 1.094 60 A CA -0.526 51.591 52.037 0.133 0.000 0.765 60 A CB 1.488 20.551 19.000 0.105 0.000 1.268 60 A HN 0.559 nan 8.150 nan 0.000 0.438 61 T N 1.373 116.017 114.554 0.150 0.000 2.806 61 T HA 0.420 4.770 4.350 0.000 0.000 0.290 61 T C 0.583 175.436 174.700 0.254 0.000 0.966 61 T CA 0.298 62.484 62.100 0.144 0.000 1.060 61 T CB 0.413 69.392 68.868 0.184 0.000 0.927 61 T HN 0.841 nan 8.240 nan 0.000 0.485 62 H N 0.371 119.550 119.070 0.182 0.000 2.893 62 H HA 0.541 5.097 4.556 0.000 0.000 0.270 62 H C 0.970 176.450 175.328 0.253 0.000 1.095 62 H CA -0.233 55.891 56.048 0.126 0.000 1.186 62 H CB -0.286 29.461 29.762 -0.026 0.000 1.562 62 H HN 0.933 nan 8.280 nan 0.000 0.536 63 G N 0.793 109.787 108.800 0.323 0.000 2.752 63 G HA2 -0.268 3.692 3.960 0.000 0.000 0.234 63 G HA3 -0.268 3.692 3.960 0.000 0.000 0.234 63 G C -0.446 174.605 174.900 0.250 0.000 1.367 63 G CA -0.147 45.101 45.100 0.246 0.000 0.879 63 G HN 0.424 nan 8.290 nan 0.000 0.563 64 I N 1.876 122.524 120.570 0.131 0.000 2.359 64 I HA 0.590 4.760 4.170 0.000 0.000 0.294 64 I C 0.948 177.103 176.117 0.063 0.000 0.987 64 I CA 0.510 61.862 61.300 0.087 0.000 1.225 64 I CB 0.924 38.930 38.000 0.010 0.000 1.366 64 I HN 2.011 nan 8.210 nan 0.000 0.466 65 G N 3.699 112.518 108.800 0.031 0.000 2.675 65 G HA2 -0.082 3.878 3.960 0.000 0.000 0.686 65 G HA3 -0.082 3.878 3.960 0.000 0.000 0.686 65 G C 0.524 175.386 174.900 -0.063 0.000 1.215 65 G CA -0.452 44.641 45.100 -0.012 0.000 0.777 65 G HN 0.949 nan 8.290 nan 0.000 0.638 66 G N 0.469 109.217 108.800 -0.087 0.000 2.446 66 G HA2 0.027 3.987 3.960 0.000 0.000 0.217 66 G HA3 0.027 3.987 3.960 0.000 0.000 0.217 66 G C 0.127 174.948 174.900 -0.133 0.000 1.168 66 G CA 2.095 47.107 45.100 -0.147 0.000 0.771 66 G HN 0.691 nan 8.290 nan 0.000 0.551 67 P HA -0.057 nan 4.420 nan 0.000 0.217 67 P C 2.274 179.536 177.300 -0.064 0.000 1.150 67 P CA 1.650 64.718 63.100 -0.054 0.000 0.832 67 P CB -0.004 31.686 31.700 -0.016 0.000 0.787 68 S N -1.044 114.635 115.700 -0.035 0.000 2.345 68 S HA -0.107 4.363 4.470 0.000 0.000 0.220 68 S C 1.855 176.390 174.600 -0.107 0.000 1.031 68 S CA 0.752 58.949 58.200 -0.005 0.000 0.996 68 S CB -0.973 62.306 63.200 0.131 0.000 0.882 68 S HN -0.007 nan 8.310 nan 0.000 0.445 69 I N 1.154 121.639 120.570 -0.142 0.000 2.361 69 I HA -0.114 4.056 4.170 0.000 0.000 0.251 69 I C 2.302 178.256 176.117 -0.272 0.000 1.133 69 I CA 1.176 62.316 61.300 -0.267 0.000 1.413 69 I CB -0.442 37.263 38.000 -0.491 0.000 1.073 69 I HN 0.398 nan 8.210 nan 0.000 0.424 70 A N 1.151 123.843 122.820 -0.213 0.000 1.877 70 A HA -0.206 4.114 4.320 0.000 0.000 0.216 70 A C 2.211 179.716 177.584 -0.132 0.000 1.186 70 A CA 1.806 53.750 52.037 -0.155 0.000 0.620 70 A CB -0.876 18.083 19.000 -0.068 0.000 0.822 70 A HN 0.509 nan 8.150 nan 0.000 0.443 71 I N -0.449 120.008 120.570 -0.188 0.000 2.179 71 I HA -0.226 3.944 4.170 0.000 0.000 0.242 71 I C 2.358 178.280 176.117 -0.324 0.000 1.088 71 I CA 1.234 62.373 61.300 -0.269 0.000 1.357 71 I CB -0.270 37.453 38.000 -0.460 0.000 1.051 71 I HN 0.167 nan 8.210 nan 0.000 0.409 72 V N 0.918 120.588 119.914 -0.405 0.000 2.343 72 V HA -0.265 3.855 4.120 0.000 0.000 0.247 72 V C 2.348 178.257 176.094 -0.309 0.000 1.051 72 V CA 1.644 63.698 62.300 -0.410 0.000 1.036 72 V CB -0.492 31.071 31.823 -0.432 0.000 0.654 72 V HN 0.353 nan 8.190 nan 0.000 0.451 73 L N -0.523 120.479 121.223 -0.369 0.000 2.017 73 L HA -0.143 4.197 4.340 0.000 0.000 0.208 73 L C 2.760 179.386 176.870 -0.406 0.000 1.073 73 L CA 1.486 55.964 54.840 -0.603 0.000 0.745 73 L CB -0.694 40.943 42.059 -0.704 0.000 0.894 73 L HN 0.322 nan 8.230 nan 0.000 0.432 74 E N 0.302 120.447 120.200 -0.093 0.000 2.058 74 E HA -0.244 4.106 4.350 0.000 0.000 0.194 74 E C 2.039 178.661 176.600 0.037 0.000 0.997 74 E CA 1.481 57.950 56.400 0.114 0.000 0.801 74 E CB -0.132 29.647 29.700 0.131 0.000 0.746 74 E HN 0.606 nan 8.360 nan 0.000 0.450 75 E N 0.435 120.611 120.200 -0.040 0.000 2.107 75 E HA -0.070 4.280 4.350 0.000 0.000 0.191 75 E C 2.400 178.984 176.600 -0.026 0.000 0.982 75 E CA 0.365 56.753 56.400 -0.019 0.000 0.809 75 E CB -0.072 29.610 29.700 -0.031 0.000 0.756 75 E HN 0.224 nan 8.360 nan 0.000 0.459 76 L N 0.780 121.968 121.223 -0.060 0.000 2.093 76 L HA -0.131 4.209 4.340 0.000 0.000 0.208 76 L C 2.590 179.449 176.870 -0.019 0.000 1.085 76 L CA 0.885 55.715 54.840 -0.017 0.000 0.755 76 L CB -0.421 41.675 42.059 0.061 0.000 0.904 76 L HN 0.120 nan 8.230 nan 0.000 0.435 77 A N -0.218 122.573 122.820 -0.047 0.000 1.930 77 A HA -0.189 4.131 4.320 0.000 0.000 0.217 77 A C 2.273 179.890 177.584 0.055 0.000 1.175 77 A CA 1.443 53.457 52.037 -0.038 0.000 0.627 77 A CB -0.401 18.586 19.000 -0.021 0.000 0.815 77 A HN 0.345 nan 8.150 nan 0.000 0.443 78 M N -0.670 118.969 119.600 0.065 0.000 2.296 78 M HA 0.002 4.482 4.480 0.000 0.000 0.265 78 M C 1.427 177.748 176.300 0.034 0.000 1.064 78 M CA 1.042 56.381 55.300 0.065 0.000 1.109 78 M CB -0.305 32.332 32.600 0.062 0.000 1.396 78 M HN 0.299 nan 8.290 nan 0.000 0.430 79 L N -0.703 120.528 121.223 0.013 0.000 2.599 79 L HA 0.151 4.491 4.340 0.000 0.000 0.230 79 L C 1.314 178.176 176.870 -0.014 0.000 1.141 79 L CA 0.371 55.211 54.840 -0.000 0.000 0.877 79 L CB -0.224 41.831 42.059 -0.006 0.000 1.009 79 L HN 0.611 nan 8.230 nan 0.000 0.447 80 G N -0.653 108.136 108.800 -0.018 0.000 2.205 80 G HA2 -0.164 3.796 3.960 0.000 0.000 0.180 80 G HA3 -0.164 3.796 3.960 0.000 0.000 0.180 80 G C 0.309 175.151 174.900 -0.096 0.000 1.004 80 G CA -0.208 44.870 45.100 -0.037 0.000 0.670 80 G HN 0.385 nan 8.290 nan 0.000 0.496 81 A N 0.450 123.177 122.820 -0.155 0.000 2.388 81 A HA 0.677 4.997 4.320 0.000 0.000 0.257 81 A C 0.834 178.137 177.584 -0.469 0.000 1.095 81 A CA 0.840 52.664 52.037 -0.355 0.000 0.791 81 A CB 0.331 19.069 19.000 -0.437 0.000 1.029 81 A HN 1.237 nan 8.150 nan 0.000 0.489 82 N N -0.562 117.795 118.700 -0.572 0.000 2.036 82 N HA 0.162 4.902 4.740 0.000 0.000 0.228 82 N C -1.075 174.210 175.510 -0.374 0.000 1.368 82 N CA 0.083 52.916 53.050 -0.362 0.000 0.846 82 N CB 0.598 39.054 38.487 -0.052 0.000 1.145 82 N HN 0.258 nan 8.380 nan 0.000 0.502 83 V N 1.530 121.059 119.914 -0.643 0.000 2.483 83 V HA 0.556 4.676 4.120 0.000 0.000 0.297 83 V C -1.558 174.194 176.094 -0.571 0.000 1.027 83 V CA -0.574 61.501 62.300 -0.375 0.000 0.855 83 V CB 0.985 32.694 31.823 -0.190 0.000 0.995 83 V HN 0.072 nan 8.190 nan 0.000 0.424 84 F N 4.975 124.921 119.950 -0.008 0.000 2.518 84 F HA 0.658 5.185 4.527 0.000 0.000 0.323 84 F C -0.057 175.774 175.800 0.050 0.000 1.129 84 F CA -0.653 57.342 58.000 -0.008 0.000 0.920 84 F CB 1.821 40.797 39.000 -0.041 0.000 1.160 84 F HN 0.215 nan 8.300 nan 0.000 0.440 85 I N 3.515 124.217 120.570 0.220 0.000 2.411 85 I HA 0.351 4.521 4.170 0.000 0.000 0.284 85 I C -0.169 176.072 176.117 0.206 0.000 1.012 85 I CA -0.695 60.715 61.300 0.183 0.000 1.119 85 I CB 1.654 39.714 38.000 0.100 0.000 1.261 85 I HN 0.590 nan 8.210 nan 0.000 0.448 86 R N 5.565 126.197 120.500 0.219 0.000 2.389 86 R HA 0.182 4.522 4.340 0.000 0.000 0.295 86 R C -1.604 174.869 176.300 0.289 0.000 1.075 86 R CA -0.075 56.161 56.100 0.226 0.000 1.005 86 R CB 0.676 31.061 30.300 0.143 0.000 0.987 86 R HN 0.499 nan 8.270 nan 0.000 0.452 87 Y N 4.271 124.643 120.300 0.120 0.000 2.426 87 Y HA 0.506 5.056 4.550 0.000 0.000 0.325 87 Y C -0.499 175.460 175.900 0.098 0.000 0.989 87 Y CA -0.564 57.602 58.100 0.110 0.000 1.284 87 Y CB 1.203 39.720 38.460 0.095 0.000 1.104 87 Y HN 0.795 nan 8.280 nan 0.000 0.481 88 G N 2.047 110.791 108.800 -0.093 0.000 3.243 88 G HA2 0.594 4.554 3.960 0.000 0.000 0.248 88 G HA3 0.594 4.554 3.960 0.000 0.000 0.248 88 G C -0.866 173.925 174.900 -0.181 0.000 1.267 88 G CA -0.496 44.518 45.100 -0.143 0.000 0.906 88 G HN 0.561 nan 8.290 nan 0.000 0.592 89 T N -3.236 111.263 114.554 -0.092 0.000 2.942 89 T HA 0.744 5.094 4.350 0.000 0.000 0.289 89 T C -0.473 174.221 174.700 -0.011 0.000 1.044 89 T CA -0.538 61.525 62.100 -0.061 0.000 1.023 89 T CB 2.031 70.868 68.868 -0.051 0.000 1.123 89 T HN 0.928 nan 8.240 nan 0.000 0.512 90 T N -0.961 113.594 114.554 0.002 0.000 2.802 90 T HA 0.645 4.995 4.350 0.000 0.000 0.311 90 T C -0.898 173.809 174.700 0.012 0.000 1.405 90 T CA -0.363 61.746 62.100 0.015 0.000 1.016 90 T CB 1.305 70.184 68.868 0.018 0.000 1.352 90 T HN 1.211 nan 8.240 nan 0.000 0.498 91 G N 1.382 110.189 108.800 0.013 0.000 2.370 91 G HA2 0.660 4.620 3.960 0.000 0.000 0.317 91 G HA3 0.660 4.620 3.960 0.000 0.000 0.317 91 G C 0.049 174.944 174.900 -0.009 0.000 1.162 91 G CA -0.120 44.980 45.100 0.000 0.000 0.922 91 G HN 0.989 nan 8.290 nan 0.000 0.454 92 A N 2.146 124.941 122.820 -0.042 0.000 2.445 92 A HA 0.488 4.808 4.320 0.000 0.000 0.242 92 A C 0.936 178.478 177.584 -0.071 0.000 1.075 92 A CA -0.255 51.730 52.037 -0.087 0.000 0.777 92 A CB 0.423 19.326 19.000 -0.162 0.000 1.013 92 A HN 0.742 nan 8.150 nan 0.000 0.493 93 L N 1.733 122.905 121.223 -0.085 0.000 2.766 93 L HA 0.187 4.527 4.340 0.000 0.000 0.242 93 L C -0.199 176.603 176.870 -0.113 0.000 1.136 93 L CA 0.022 54.831 54.840 -0.052 0.000 0.933 93 L CB 0.092 42.150 42.059 -0.002 0.000 1.241 93 L HN 0.631 nan 8.230 nan 0.000 0.522 94 V N -4.439 115.333 119.914 -0.237 0.000 2.735 94 V HA 0.460 4.580 4.120 0.000 0.000 0.310 94 V C -1.911 173.944 176.094 -0.399 0.000 1.061 94 V CA -1.580 60.512 62.300 -0.347 0.000 0.913 94 V CB 1.695 33.154 31.823 -0.608 0.000 1.005 94 V HN -0.182 nan 8.190 nan 0.000 0.428 95 P HA -0.163 nan 4.420 nan 0.000 0.218 95 P C 1.278 178.503 177.300 -0.124 0.000 1.149 95 P CA 1.728 64.745 63.100 -0.138 0.000 0.817 95 P CB -0.083 31.600 31.700 -0.027 0.000 0.785 96 Y N -0.859 119.400 120.300 -0.068 0.000 2.583 96 Y HA 0.291 4.841 4.550 -0.000 0.000 0.293 96 Y C 1.046 176.876 175.900 -0.116 0.000 1.157 96 Y CA -0.913 57.150 58.100 -0.063 0.000 1.315 96 Y CB -1.374 37.067 38.460 -0.032 0.000 1.021 96 Y HN -0.207 nan 8.280 nan 0.000 0.536 97 I N 2.943 123.284 120.570 -0.382 0.000 2.342 97 I HA 0.128 4.298 4.170 0.000 0.000 0.291 97 I C -0.379 175.657 176.117 -0.135 0.000 1.010 97 I CA -0.431 60.662 61.300 -0.345 0.000 1.308 97 I CB 0.553 38.188 38.000 -0.609 0.000 1.400 97 I HN 0.186 nan 8.210 nan 0.000 0.488 98 N N 6.640 125.332 118.700 -0.014 0.000 2.495 98 N HA 0.441 5.181 4.740 0.000 0.000 0.280 98 N C -0.399 175.093 175.510 -0.029 0.000 1.168 98 N CA -0.613 52.429 53.050 -0.013 0.000 0.978 98 N CB 1.477 39.975 38.487 0.018 0.000 1.191 98 N HN 0.381 nan 8.380 nan 0.000 0.497 99 L N 0.289 121.485 121.223 -0.045 0.000 2.456 99 L HA 0.171 4.511 4.340 0.000 0.000 0.272 99 L C 1.621 178.451 176.870 -0.067 0.000 1.189 99 L CA 0.170 54.980 54.840 -0.049 0.000 0.846 99 L CB 0.164 42.202 42.059 -0.034 0.000 1.111 99 L HN 0.890 nan 8.230 nan 0.000 0.475 100 G N 1.400 110.138 108.800 -0.103 0.000 2.217 100 G HA2 -0.207 3.753 3.960 0.000 0.000 0.246 100 G HA3 -0.207 3.753 3.960 0.000 0.000 0.246 100 G C 0.260 174.948 174.900 -0.353 0.000 0.990 100 G CA -0.120 44.880 45.100 -0.166 0.000 0.627 100 G HN 0.649 nan 8.290 nan 0.000 0.522 101 E N -0.670 119.388 120.200 -0.237 0.000 2.351 101 E HA 0.601 4.951 4.350 0.000 0.000 0.255 101 E C -0.467 175.936 176.600 -0.330 0.000 1.188 101 E CA -0.503 55.766 56.400 -0.218 0.000 0.940 101 E CB 0.559 30.350 29.700 0.152 0.000 1.094 101 E HN 0.390 nan 8.360 nan 0.000 0.474 102 Y N -0.553 119.924 120.300 0.295 0.000 2.549 102 Y HA 0.523 5.073 4.550 -0.000 0.000 0.339 102 Y C -0.067 175.986 175.900 0.254 0.000 1.053 102 Y CA -0.892 57.356 58.100 0.247 0.000 1.105 102 Y CB 1.183 39.783 38.460 0.232 0.000 1.258 102 Y HN 0.219 nan 8.280 nan 0.000 0.478 103 I N 3.181 123.938 120.570 0.312 0.000 2.447 103 I HA 0.359 4.529 4.170 0.000 0.000 0.287 103 I C -1.026 175.164 176.117 0.122 0.000 1.023 103 I CA -0.499 60.944 61.300 0.239 0.000 1.083 103 I CB 1.536 39.642 38.000 0.176 0.000 1.245 103 I HN 0.449 nan 8.210 nan 0.000 0.434 104 I N 6.912 127.525 120.570 0.073 0.000 2.297 104 I HA 0.210 4.380 4.170 0.000 0.000 0.291 104 I C -0.035 176.120 176.117 0.063 0.000 1.033 104 I CA -0.742 60.537 61.300 -0.035 0.000 1.253 104 I CB 1.257 39.145 38.000 -0.186 0.000 1.396 104 I HN 0.206 nan 8.210 nan 0.000 0.476 105 V N 5.672 125.650 119.914 0.107 0.000 2.521 105 V HA 0.024 4.144 4.120 0.000 0.000 0.286 105 V C 1.331 177.494 176.094 0.114 0.000 1.034 105 V CA 0.163 62.566 62.300 0.172 0.000 1.045 105 V CB 0.874 32.882 31.823 0.309 0.000 0.974 105 V HN 0.913 nan 8.190 nan 0.000 0.480 106 T N 0.249 114.867 114.554 0.107 0.000 3.023 106 T HA 0.524 4.874 4.350 0.000 0.000 0.253 106 T C 0.620 175.344 174.700 0.039 0.000 1.038 106 T CA 0.368 62.495 62.100 0.046 0.000 0.962 106 T CB 0.515 69.427 68.868 0.074 0.000 1.018 106 T HN 1.212 nan 8.240 nan 0.000 0.521 107 G N -0.055 108.837 108.800 0.152 0.000 2.338 107 G HA2 0.577 4.537 3.960 0.000 0.000 0.295 107 G HA3 0.577 4.537 3.960 0.000 0.000 0.295 107 G C -2.076 173.026 174.900 0.337 0.000 1.461 107 G CA -0.411 44.819 45.100 0.216 0.000 0.817 107 G HN 0.622 nan 8.290 nan 0.000 0.556 108 A N 0.137 123.174 122.820 0.362 0.000 2.374 108 A HA 0.875 5.195 4.320 0.000 0.000 0.305 108 A C 0.035 177.784 177.584 0.274 0.000 1.053 108 A CA -0.311 51.883 52.037 0.263 0.000 0.726 108 A CB 1.629 20.731 19.000 0.170 0.000 1.229 108 A HN 1.279 nan 8.150 nan 0.000 0.431 109 S N 0.758 116.594 115.700 0.228 0.000 2.616 109 S HA 0.803 5.273 4.470 0.000 0.000 0.277 109 S C -0.776 173.999 174.600 0.292 0.000 1.234 109 S CA -0.134 58.216 58.200 0.249 0.000 1.028 109 S CB 0.661 64.028 63.200 0.278 0.000 0.988 109 S HN 1.013 nan 8.310 nan 0.000 0.522 110 Y N -1.042 119.311 120.300 0.089 0.000 2.677 110 Y HA 0.538 5.088 4.550 0.000 0.000 0.334 110 Y C -1.200 174.768 175.900 0.114 0.000 1.196 110 Y CA -1.374 56.736 58.100 0.015 0.000 1.059 110 Y CB 0.497 38.773 38.460 -0.306 0.000 1.315 110 Y HN 0.389 nan 8.280 nan 0.000 0.455 111 N N 2.482 121.345 118.700 0.272 0.000 2.479 111 N HA 0.179 4.919 4.740 0.000 0.000 0.285 111 N C -0.657 174.934 175.510 0.135 0.000 1.075 111 N CA -0.563 52.600 53.050 0.188 0.000 0.967 111 N CB 1.683 40.351 38.487 0.301 0.000 1.137 111 N HN 0.865 nan 8.380 nan 0.000 0.472 112 Q N 0.534 120.362 119.800 0.047 0.000 2.535 112 Q HA 0.498 4.838 4.340 0.000 0.000 0.228 112 Q C 0.516 176.636 176.000 0.200 0.000 1.062 112 Q CA -0.476 55.397 55.803 0.116 0.000 0.967 112 Q CB 0.434 29.209 28.738 0.062 0.000 1.273 112 Q HN 0.676 nan 8.270 nan 0.000 0.554 113 G N -1.137 107.825 108.800 0.270 0.000 2.409 113 G HA2 0.261 4.221 3.960 0.000 0.000 0.421 113 G HA3 0.261 4.221 3.960 0.000 0.000 0.421 113 G C 0.423 175.538 174.900 0.360 0.000 1.259 113 G CA -0.199 45.050 45.100 0.248 0.000 1.011 113 G HN 1.506 nan 8.290 nan 0.000 0.497 114 G N -0.436 108.518 108.800 0.257 0.000 2.686 114 G HA2 -0.267 3.693 3.960 0.000 0.000 0.359 114 G HA3 -0.267 3.693 3.960 0.000 0.000 0.359 114 G C 1.748 176.784 174.900 0.225 0.000 1.222 114 G CA 2.354 47.590 45.100 0.227 0.000 0.956 114 G HN 2.063 nan 8.290 nan 0.000 0.565 115 L N -0.378 120.922 121.223 0.128 0.000 2.013 115 L HA -0.058 4.282 4.340 0.000 0.000 0.212 115 L C 2.935 179.805 176.870 -0.000 0.000 1.073 115 L CA 2.831 57.662 54.840 -0.015 0.000 0.753 115 L CB -0.373 41.555 42.059 -0.218 0.000 0.890 115 L HN 0.482 nan 8.230 nan 0.000 0.432 116 F N -1.427 118.617 119.950 0.158 0.000 2.134 116 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 116 F C 2.380 178.305 175.800 0.209 0.000 1.097 116 F CA 1.680 59.772 58.000 0.153 0.000 1.264 116 F CB -1.017 38.061 39.000 0.131 0.000 1.001 116 F HN 0.130 nan 8.300 nan 0.000 0.479 117 Y N 1.165 121.632 120.300 0.277 0.000 2.224 117 Y HA -0.228 4.322 4.550 0.000 0.000 0.289 117 Y C 2.355 178.315 175.900 0.099 0.000 1.146 117 Y CA 1.592 59.795 58.100 0.172 0.000 1.182 117 Y CB -0.709 37.834 38.460 0.138 0.000 0.983 117 Y HN 0.117 nan 8.280 nan 0.000 0.524 118 Q N -1.573 118.225 119.800 -0.002 0.000 2.119 118 Q HA -0.212 4.128 4.340 0.000 0.000 0.201 118 Q C 1.864 177.731 176.000 -0.221 0.000 0.972 118 Q CA 1.866 57.553 55.803 -0.193 0.000 0.847 118 Q CB -0.274 28.364 28.738 -0.166 0.000 0.903 118 Q HN 0.569 nan 8.270 nan 0.000 0.433 119 Y N -0.226 120.006 120.300 -0.113 0.000 2.314 119 Y HA -0.039 4.511 4.550 0.000 0.000 0.294 119 Y C 1.815 177.664 175.900 -0.085 0.000 1.119 119 Y CA 0.787 58.820 58.100 -0.112 0.000 1.179 119 Y CB 0.271 38.647 38.460 -0.139 0.000 1.025 119 Y HN 0.022 nan 8.280 nan 0.000 0.541 120 L N -1.034 120.264 121.223 0.126 0.000 2.446 120 L HA 0.051 4.391 4.340 0.000 0.000 0.219 120 L C 0.854 177.730 176.870 0.010 0.000 1.116 120 L CA 0.527 55.421 54.840 0.089 0.000 0.844 120 L CB -0.105 42.053 42.059 0.164 0.000 0.970 120 L HN 0.146 nan 8.230 nan 0.000 0.457 121 R N -0.137 120.293 120.500 -0.116 0.000 3.922 121 R HA -0.181 4.159 4.340 0.000 0.000 0.447 121 R C -0.370 175.857 176.300 -0.121 0.000 1.035 121 R CA 1.233 57.193 56.100 -0.234 0.000 1.289 121 R CB -1.851 28.378 30.300 -0.119 0.000 1.906 121 R HN 0.648 nan 8.270 nan 0.000 0.540 122 D N -1.906 118.544 120.400 0.083 0.000 2.779 122 D HA 0.100 4.740 4.640 0.000 0.000 0.331 122 D C -0.675 175.835 176.300 0.349 0.000 1.331 122 D CA -0.871 53.300 54.000 0.284 0.000 0.866 122 D CB -0.120 40.778 40.800 0.165 0.000 1.409 122 D HN -0.118 nan 8.370 nan 0.000 0.486 123 N N -0.533 118.325 118.700 0.263 0.000 2.320 123 N HA 0.387 5.127 4.740 0.000 0.000 0.237 123 N C -0.150 175.447 175.510 0.145 0.000 1.129 123 N CA -0.146 53.028 53.050 0.208 0.000 0.854 123 N CB 0.755 39.319 38.487 0.128 0.000 1.083 123 N HN 0.546 nan 8.380 nan 0.000 0.504 124 A N 0.208 123.113 122.820 0.142 0.000 2.445 124 A HA 0.142 4.462 4.320 0.000 0.000 0.242 124 A C 0.464 178.121 177.584 0.122 0.000 1.075 124 A CA -0.080 52.020 52.037 0.106 0.000 0.777 124 A CB 0.300 19.357 19.000 0.096 0.000 1.013 124 A HN 0.415 nan 8.150 nan 0.000 0.493 125 C N 3.523 122.868 119.300 0.074 0.000 2.210 125 C HA 0.363 4.823 4.460 0.000 0.000 0.377 125 C C 0.626 175.691 174.990 0.124 0.000 1.037 125 C CA -0.653 58.407 59.018 0.069 0.000 1.405 125 C CB -1.949 25.769 27.740 -0.036 0.000 1.802 125 C HN 0.556 nan 8.230 nan 0.000 0.495 126 V N 3.760 123.794 119.914 0.200 0.000 2.637 126 V HA 0.271 4.391 4.120 0.000 0.000 0.296 126 V C 1.016 177.223 176.094 0.187 0.000 1.046 126 V CA -0.137 62.262 62.300 0.164 0.000 1.066 126 V CB 0.797 32.715 31.823 0.157 0.000 0.968 126 V HN 0.903 nan 8.190 nan 0.000 0.483 127 A N 4.168 127.065 122.820 0.129 0.000 2.537 127 A HA 0.232 4.552 4.320 0.000 0.000 0.260 127 A C 0.732 178.409 177.584 0.155 0.000 1.082 127 A CA 0.406 52.520 52.037 0.127 0.000 0.765 127 A CB 0.009 19.054 19.000 0.076 0.000 1.019 127 A HN 0.824 nan 8.150 nan 0.000 0.507 128 S N 2.698 118.529 115.700 0.219 0.000 2.695 128 S HA 0.516 4.986 4.470 0.000 0.000 0.275 128 S C 0.216 174.976 174.600 0.268 0.000 1.203 128 S CA 0.057 58.420 58.200 0.272 0.000 1.061 128 S CB -0.604 62.785 63.200 0.315 0.000 1.152 128 S HN 1.095 nan 8.310 nan 0.000 0.495 129 T N 2.400 116.997 114.554 0.072 0.000 2.906 129 T HA 0.730 5.080 4.350 0.000 0.000 0.295 129 T C -3.138 171.201 174.700 -0.601 0.000 1.075 129 T CA -2.025 59.934 62.100 -0.235 0.000 1.005 129 T CB 1.945 70.756 68.868 -0.095 0.000 1.136 129 T HN 0.298 nan 8.240 nan 0.000 0.498 130 P HA 0.312 nan 4.420 nan 0.000 0.279 130 P C -0.783 176.374 177.300 -0.239 0.000 1.276 130 P CA -0.325 62.309 63.100 -0.777 0.000 0.801 130 P CB 0.516 31.728 31.700 -0.814 0.000 1.127 131 D N -0.703 119.643 120.400 -0.090 0.000 2.417 131 D HA -0.021 4.619 4.640 0.000 0.000 0.250 131 D C 0.965 177.287 176.300 0.037 0.000 1.166 131 D CA -0.131 53.879 54.000 0.016 0.000 0.881 131 D CB -0.062 40.766 40.800 0.047 0.000 1.164 131 D HN 0.173 nan 8.370 nan 0.000 0.467 132 F N 3.387 123.304 119.950 -0.055 0.000 2.046 132 F HA -0.149 4.378 4.527 0.000 0.000 0.297 132 F C 1.835 177.617 175.800 -0.030 0.000 1.123 132 F CA 1.693 59.666 58.000 -0.045 0.000 1.199 132 F CB -0.118 38.864 39.000 -0.031 0.000 0.972 132 F HN 0.564 nan 8.300 nan 0.000 0.474 133 E N -0.067 120.130 120.200 -0.006 0.000 2.058 133 E HA -0.262 4.088 4.350 0.000 0.000 0.194 133 E C 2.116 178.637 176.600 -0.132 0.000 0.997 133 E CA 1.511 57.848 56.400 -0.104 0.000 0.801 133 E CB -0.577 29.141 29.700 0.029 0.000 0.746 133 E HN 0.364 nan 8.360 nan 0.000 0.450 134 L N 1.051 122.234 121.223 -0.066 0.000 2.079 134 L HA -0.164 4.176 4.340 0.000 0.000 0.210 134 L C 2.225 179.040 176.870 -0.091 0.000 1.081 134 L CA 1.892 56.700 54.840 -0.054 0.000 0.752 134 L CB -0.649 41.406 42.059 -0.007 0.000 0.896 134 L HN 0.053 nan 8.230 nan 0.000 0.433 135 T N -0.294 114.182 114.554 -0.131 0.000 2.821 135 T HA -0.118 4.232 4.350 0.000 0.000 0.267 135 T C 1.721 176.300 174.700 -0.202 0.000 1.046 135 T CA 1.389 63.398 62.100 -0.152 0.000 1.139 135 T CB -0.300 68.473 68.868 -0.158 0.000 0.871 135 T HN 0.356 nan 8.240 nan 0.000 0.454 136 N N 1.016 119.543 118.700 -0.288 0.000 2.244 136 N HA 0.002 4.742 4.740 0.000 0.000 0.183 136 N C 1.819 177.228 175.510 -0.168 0.000 1.016 136 N CA 0.808 53.695 53.050 -0.271 0.000 0.866 136 N CB -0.070 38.188 38.487 -0.382 0.000 0.980 136 N HN 0.442 nan 8.380 nan 0.000 0.430 137 K N 0.615 120.934 120.400 -0.135 0.000 2.097 137 K HA 0.006 4.326 4.320 0.000 0.000 0.205 137 K C 2.050 178.613 176.600 -0.063 0.000 1.050 137 K CA 0.600 56.837 56.287 -0.082 0.000 0.938 137 K CB -0.062 32.402 32.500 -0.060 0.000 0.718 137 K HN 0.132 nan 8.250 nan 0.000 0.442 138 L N 0.515 121.695 121.223 -0.071 0.000 2.056 138 L HA -0.179 4.161 4.340 0.000 0.000 0.207 138 L C 2.306 179.131 176.870 -0.076 0.000 1.078 138 L CA 0.808 55.633 54.840 -0.026 0.000 0.749 138 L CB -0.377 41.631 42.059 -0.085 0.000 0.901 138 L HN -0.018 nan 8.230 nan 0.000 0.433 139 V N -0.526 119.263 119.914 -0.207 0.000 2.332 139 V HA -0.307 3.813 4.120 0.000 0.000 0.248 139 V C 2.534 178.522 176.094 -0.177 0.000 1.055 139 V CA 2.392 64.495 62.300 -0.330 0.000 1.038 139 V CB -0.737 30.953 31.823 -0.221 0.000 0.651 139 V HN 0.488 nan 8.190 nan 0.000 0.450 140 T N -0.910 113.593 114.554 -0.086 0.000 2.777 140 T HA -0.193 4.157 4.350 0.000 0.000 0.266 140 T C 2.141 176.828 174.700 -0.021 0.000 1.040 140 T CA 1.839 63.918 62.100 -0.035 0.000 1.141 140 T CB -0.289 68.557 68.868 -0.037 0.000 0.868 140 T HN 0.513 nan 8.240 nan 0.000 0.444 141 S N 0.247 115.935 115.700 -0.020 0.000 2.368 141 S HA -0.071 4.399 4.470 0.000 0.000 0.225 141 S C 1.740 176.282 174.600 -0.097 0.000 1.030 141 S CA 0.991 59.161 58.200 -0.050 0.000 0.999 141 S CB -0.519 62.650 63.200 -0.053 0.000 0.844 141 S HN 0.398 nan 8.310 nan 0.000 0.459 142 F N 2.343 122.161 119.950 -0.220 0.000 2.146 142 F HA -0.013 4.514 4.527 0.000 0.000 0.298 142 F C 2.946 178.724 175.800 -0.036 0.000 1.096 142 F CA 1.360 59.233 58.000 -0.211 0.000 1.275 142 F CB -0.725 38.034 39.000 -0.403 0.000 1.008 142 F HN 0.354 nan 8.300 nan 0.000 0.480 143 S N -0.282 115.523 115.700 0.175 0.000 2.423 143 S HA -0.212 4.258 4.470 0.000 0.000 0.231 143 S C 1.989 176.649 174.600 0.101 0.000 1.014 143 S CA 1.097 59.442 58.200 0.243 0.000 0.965 143 S CB -0.574 62.772 63.200 0.243 0.000 0.785 143 S HN 0.459 nan 8.310 nan 0.000 0.495 144 K N 1.529 121.950 120.400 0.034 0.000 2.057 144 K HA 0.041 4.361 4.320 0.000 0.000 0.206 144 K C 2.016 178.604 176.600 -0.020 0.000 1.050 144 K CA 0.779 57.064 56.287 -0.002 0.000 0.935 144 K CB -0.097 32.386 32.500 -0.028 0.000 0.715 144 K HN 0.266 nan 8.250 nan 0.000 0.439 145 R N 0.948 121.414 120.500 -0.058 0.000 2.325 145 R HA 0.106 4.446 4.340 0.000 0.000 0.214 145 R C -0.277 176.012 176.300 -0.018 0.000 0.961 145 R CA 0.079 56.133 56.100 -0.077 0.000 1.086 145 R CB -0.172 30.015 30.300 -0.188 0.000 1.037 145 R HN 0.317 nan 8.270 nan 0.000 0.493 146 N N 1.099 119.818 118.700 0.033 0.000 2.714 146 N HA -0.201 4.539 4.740 0.000 0.000 0.252 146 N C -0.907 174.668 175.510 0.109 0.000 1.014 146 N CA 0.975 54.066 53.050 0.069 0.000 0.735 146 N CB -1.006 37.506 38.487 0.041 0.000 0.924 146 N HN 0.292 nan 8.380 nan 0.000 0.540 147 L N -0.078 121.249 121.223 0.174 0.000 2.325 147 L HA 0.339 4.679 4.340 0.000 0.000 0.279 147 L C 0.868 177.970 176.870 0.387 0.000 1.054 147 L CA -0.927 54.085 54.840 0.286 0.000 0.804 147 L CB 1.175 43.372 42.059 0.230 0.000 1.200 147 L HN -0.112 nan 8.230 nan 0.000 0.436 148 K N 3.354 123.962 120.400 0.347 0.000 2.349 148 K HA 0.268 4.588 4.320 0.000 0.000 0.289 148 K C -1.180 175.589 176.600 0.282 0.000 1.064 148 K CA 0.116 56.496 56.287 0.156 0.000 0.947 148 K CB -0.008 32.545 32.500 0.088 0.000 1.007 148 K HN 0.378 nan 8.250 nan 0.000 0.478 149 Y N 1.813 122.120 120.300 0.012 0.000 2.609 149 Y HA 0.643 5.193 4.550 -0.000 0.000 0.342 149 Y C -1.509 174.231 175.900 -0.266 0.000 1.058 149 Y CA -1.438 56.682 58.100 0.034 0.000 1.055 149 Y CB 0.951 39.446 38.460 0.058 0.000 1.292 149 Y HN 0.367 nan 8.280 nan 0.000 0.476 150 Y N 0.363 120.825 120.300 0.270 0.000 2.536 150 Y HA 0.697 5.247 4.550 0.000 0.000 0.347 150 Y C -0.890 175.162 175.900 0.253 0.000 1.000 150 Y CA -1.542 56.673 58.100 0.193 0.000 1.051 150 Y CB 2.371 40.937 38.460 0.177 0.000 1.259 150 Y HN 0.559 nan 8.280 nan 0.000 0.468 151 V N 1.919 122.041 119.914 0.345 0.000 2.448 151 V HA 0.960 5.080 4.120 0.000 0.000 0.295 151 V C 0.093 176.308 176.094 0.202 0.000 1.025 151 V CA -0.278 62.165 62.300 0.239 0.000 0.859 151 V CB 0.992 32.932 31.823 0.195 0.000 0.988 151 V HN 0.996 nan 8.190 nan 0.000 0.431 152 G N 3.526 112.427 108.800 0.169 0.000 2.342 152 G HA2 0.307 4.267 3.960 0.000 0.000 0.297 152 G HA3 0.307 4.267 3.960 0.000 0.000 0.297 152 G C -1.711 173.273 174.900 0.140 0.000 1.313 152 G CA -0.865 44.325 45.100 0.150 0.000 0.830 152 G HN 0.459 nan 8.290 nan 0.000 0.506 153 N N -0.551 118.230 118.700 0.135 0.000 2.493 153 N HA 0.632 5.372 4.740 0.000 0.000 0.275 153 N C 0.199 175.791 175.510 0.136 0.000 1.186 153 N CA -0.111 53.026 53.050 0.146 0.000 0.978 153 N CB 1.852 40.425 38.487 0.145 0.000 1.184 153 N HN 1.027 nan 8.380 nan 0.000 0.487 154 V N -1.758 118.240 119.914 0.139 0.000 3.001 154 V HA 0.647 4.767 4.120 0.000 0.000 0.314 154 V C -0.894 175.254 176.094 0.090 0.000 1.099 154 V CA -1.087 61.272 62.300 0.100 0.000 0.989 154 V CB 1.806 33.667 31.823 0.064 0.000 1.040 154 V HN 0.449 nan 8.190 nan 0.000 0.434 155 F N 2.216 122.074 119.950 -0.154 0.000 2.415 155 F HA 0.742 5.269 4.527 0.000 0.000 0.348 155 F C 0.376 176.030 175.800 -0.245 0.000 1.119 155 F CA -0.473 57.313 58.000 -0.358 0.000 1.069 155 F CB 1.561 40.041 39.000 -0.865 0.000 1.124 155 F HN 0.594 nan 8.300 nan 0.000 0.472 156 S N 4.747 119.911 115.700 -0.892 0.000 2.415 156 S HA 0.235 4.705 4.470 0.000 0.000 0.313 156 S C -0.048 173.841 174.600 -1.184 0.000 1.067 156 S CA -0.475 57.280 58.200 -0.743 0.000 1.099 156 S CB 0.444 63.431 63.200 -0.356 0.000 0.991 156 S HN 0.725 nan 8.310 nan 0.000 0.491 157 S N 1.716 116.794 115.700 -1.036 0.000 2.601 157 S HA 0.232 4.702 4.470 0.000 0.000 0.271 157 S C 0.339 174.813 174.600 -0.209 0.000 1.305 157 S CA -0.553 57.267 58.200 -0.633 0.000 1.022 157 S CB 0.559 63.657 63.200 -0.170 0.000 0.940 157 S HN 0.616 nan 8.310 nan 0.000 0.525 158 D N 1.610 121.989 120.400 -0.036 0.000 2.407 158 D HA 0.261 4.901 4.640 0.000 0.000 0.208 158 D C -0.121 176.220 176.300 0.068 0.000 1.083 158 D CA 0.266 54.286 54.000 0.033 0.000 0.844 158 D CB 0.686 41.538 40.800 0.087 0.000 0.967 158 D HN 0.500 nan 8.370 nan 0.000 0.506 159 A N 0.582 123.444 122.820 0.070 0.000 2.646 159 A HA 0.276 4.596 4.320 0.000 0.000 0.312 159 A C 0.275 177.872 177.584 0.021 0.000 1.245 159 A CA -0.654 51.432 52.037 0.082 0.000 0.755 159 A CB -0.115 18.939 19.000 0.091 0.000 1.132 159 A HN 0.003 nan 8.150 nan 0.000 0.458 160 F N 1.796 121.674 119.950 -0.120 0.000 2.120 160 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 160 F C 1.008 176.554 175.800 -0.423 0.000 1.095 160 F CA 2.183 60.010 58.000 -0.290 0.000 1.249 160 F CB -0.016 38.782 39.000 -0.336 0.000 0.995 160 F HN 0.664 nan 8.300 nan 0.000 0.480 161 Y N -0.584 119.795 120.300 0.133 0.000 2.596 161 Y HA 0.391 4.941 4.550 -0.000 0.000 0.316 161 Y C 1.062 176.930 175.900 -0.053 0.000 1.156 161 Y CA 0.102 58.224 58.100 0.037 0.000 1.300 161 Y CB -0.203 38.329 38.460 0.121 0.000 1.130 161 Y HN 0.140 nan 8.280 nan 0.000 0.518 162 A N -0.517 122.262 122.820 -0.068 0.000 2.609 162 A HA 0.275 4.595 4.320 0.000 0.000 0.286 162 A C 0.151 177.568 177.584 -0.278 0.000 1.138 162 A CA -0.340 51.651 52.037 -0.075 0.000 0.960 162 A CB 0.036 19.037 19.000 0.003 0.000 1.208 162 A HN 0.288 nan 8.150 nan 0.000 0.541 163 E N 2.045 121.948 120.200 -0.496 0.000 2.136 163 E HA 0.246 4.596 4.350 0.000 0.000 0.246 163 E C -0.705 175.686 176.600 -0.349 0.000 1.017 163 E CA -0.471 55.395 56.400 -0.890 0.000 0.883 163 E CB 0.389 29.419 29.700 -1.118 0.000 1.199 163 E HN 0.718 nan 8.360 nan 0.000 0.447 164 D N 0.144 120.485 120.400 -0.099 0.000 2.507 164 D HA 0.048 4.688 4.640 0.000 0.000 0.280 164 D C 0.797 177.174 176.300 0.128 0.000 1.219 164 D CA -0.463 53.551 54.000 0.025 0.000 1.085 164 D CB 0.596 41.418 40.800 0.037 0.000 1.134 164 D HN -0.077 nan 8.370 nan 0.000 0.583 165 E N -0.487 119.765 120.200 0.086 0.000 2.031 165 E HA -0.180 4.170 4.350 0.000 0.000 0.193 165 E C 1.756 178.408 176.600 0.087 0.000 0.994 165 E CA 1.512 57.960 56.400 0.080 0.000 0.800 165 E CB -0.393 29.331 29.700 0.041 0.000 0.752 165 E HN 0.706 nan 8.360 nan 0.000 0.447 166 E N -0.019 120.224 120.200 0.071 0.000 2.097 166 E HA -0.273 4.077 4.350 0.000 0.000 0.196 166 E C 1.850 178.472 176.600 0.036 0.000 1.000 166 E CA 1.141 57.558 56.400 0.029 0.000 0.804 166 E CB -0.262 29.451 29.700 0.022 0.000 0.740 166 E HN 0.289 nan 8.360 nan 0.000 0.454 167 F N 1.011 120.949 119.950 -0.020 0.000 2.065 167 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 167 F C 2.117 177.965 175.800 0.080 0.000 1.112 167 F CA 1.901 59.928 58.000 0.045 0.000 1.212 167 F CB -0.528 38.542 39.000 0.116 0.000 0.975 167 F HN -0.089 nan 8.300 nan 0.000 0.476 168 V N 0.748 120.760 119.914 0.164 0.000 2.287 168 V HA -0.354 3.766 4.120 0.000 0.000 0.248 168 V C 2.491 178.544 176.094 -0.067 0.000 1.053 168 V CA 2.442 64.773 62.300 0.051 0.000 1.027 168 V CB -0.892 30.990 31.823 0.098 0.000 0.646 168 V HN 0.366 nan 8.190 nan 0.000 0.447 169 K N 0.259 120.612 120.400 -0.077 0.000 2.097 169 K HA -0.227 4.093 4.320 0.000 0.000 0.205 169 K C 2.283 178.759 176.600 -0.207 0.000 1.050 169 K CA 1.664 57.885 56.287 -0.109 0.000 0.938 169 K CB -0.116 32.333 32.500 -0.085 0.000 0.718 169 K HN 0.429 nan 8.250 nan 0.000 0.442 170 K N -0.174 120.025 120.400 -0.336 0.000 2.002 170 K HA -0.171 4.149 4.320 0.000 0.000 0.209 170 K C 1.768 177.952 176.600 -0.694 0.000 1.048 170 K CA 1.924 57.863 56.287 -0.580 0.000 0.930 170 K CB -0.246 31.758 32.500 -0.828 0.000 0.714 170 K HN 0.252 nan 8.250 nan 0.000 0.438 171 W N 0.964 121.996 121.300 -0.447 0.000 2.436 171 W HA -0.099 4.561 4.660 0.000 0.000 0.284 171 W C 2.602 178.980 176.519 -0.235 0.000 1.225 171 W CA 0.929 58.020 57.345 -0.424 0.000 1.271 171 W CB -0.239 28.836 29.460 -0.642 0.000 1.114 171 W HN 0.234 nan 8.180 nan 0.000 0.559 172 S N -0.192 115.496 115.700 -0.021 0.000 2.402 172 S HA -0.191 4.279 4.470 0.000 0.000 0.229 172 S C 1.839 176.423 174.600 -0.026 0.000 1.021 172 S CA 1.295 59.489 58.200 -0.009 0.000 0.974 172 S CB -1.068 62.116 63.200 -0.027 0.000 0.800 172 S HN 0.221 nan 8.310 nan 0.000 0.484 173 S N 1.478 117.129 115.700 -0.083 0.000 2.515 173 S HA 0.118 4.588 4.470 0.000 0.000 0.231 173 S C 1.546 176.102 174.600 -0.074 0.000 0.987 173 S CA -0.058 58.093 58.200 -0.082 0.000 0.936 173 S CB -0.393 62.734 63.200 -0.122 0.000 0.766 173 S HN 0.565 nan 8.310 nan 0.000 0.528 174 R N 0.580 121.037 120.500 -0.071 0.000 2.426 174 R HA 0.334 4.674 4.340 0.000 0.000 0.263 174 R C 1.220 177.547 176.300 0.044 0.000 0.961 174 R CA 0.357 56.437 56.100 -0.033 0.000 1.086 174 R CB 0.051 30.313 30.300 -0.064 0.000 1.186 174 R HN 0.544 nan 8.270 nan 0.000 0.537 175 G N 0.851 109.679 108.800 0.048 0.000 2.141 175 G HA2 -0.241 3.719 3.960 0.000 0.000 0.242 175 G HA3 -0.241 3.719 3.960 0.000 0.000 0.242 175 G C -0.396 174.563 174.900 0.100 0.000 0.982 175 G CA -0.404 44.739 45.100 0.072 0.000 0.662 175 G HN 0.319 nan 8.290 nan 0.000 0.527 176 N N 0.126 118.894 118.700 0.113 0.000 2.430 176 N HA 0.575 5.315 4.740 0.000 0.000 0.292 176 N C 1.423 176.980 175.510 0.078 0.000 1.051 176 N CA 0.025 53.148 53.050 0.122 0.000 0.917 176 N CB 1.301 39.892 38.487 0.173 0.000 1.164 176 N HN 0.464 nan 8.380 nan 0.000 0.484 177 I N -2.011 118.595 120.570 0.061 0.000 4.018 177 I HA 0.543 4.713 4.170 0.000 0.000 0.337 177 I C 0.258 176.359 176.117 -0.027 0.000 1.327 177 I CA -0.240 61.059 61.300 -0.003 0.000 1.100 177 I CB 0.423 38.423 38.000 -0.000 0.000 1.025 177 I HN 0.277 nan 8.210 nan 0.000 0.396 178 A N 0.557 123.391 122.820 0.023 0.000 2.601 178 A HA 0.731 5.051 4.320 0.000 0.000 0.291 178 A C -1.621 175.996 177.584 0.054 0.000 1.075 178 A CA -0.464 51.586 52.037 0.023 0.000 0.671 178 A CB 1.931 20.940 19.000 0.016 0.000 1.277 178 A HN 0.072 nan 8.150 nan 0.000 0.417 179 V N 0.806 120.755 119.914 0.059 0.000 2.656 179 V HA 0.869 4.989 4.120 0.000 0.000 0.307 179 V C -0.650 175.448 176.094 0.007 0.000 1.051 179 V CA 0.211 62.551 62.300 0.066 0.000 0.893 179 V CB 1.680 33.636 31.823 0.221 0.000 0.999 179 V HN 1.488 nan 8.190 nan 0.000 0.426 180 E N 5.347 125.508 120.200 -0.064 0.000 2.310 180 E HA 0.548 4.898 4.350 0.000 0.000 0.243 180 E C -0.486 176.036 176.600 -0.130 0.000 1.027 180 E CA -0.620 55.746 56.400 -0.056 0.000 0.887 180 E CB 1.351 31.029 29.700 -0.038 0.000 1.828 180 E HN 0.419 nan 8.360 nan 0.000 0.456 181 M N -0.783 118.757 119.600 -0.101 0.000 2.268 181 M HA 0.338 4.818 4.480 0.000 0.000 0.355 181 M C -0.001 176.208 176.300 -0.151 0.000 0.938 181 M CA 0.195 55.417 55.300 -0.130 0.000 1.025 181 M CB 0.782 33.353 32.600 -0.049 0.000 1.773 181 M HN 0.458 nan 8.290 nan 0.000 0.613 182 E N -0.608 119.486 120.200 -0.178 0.000 2.541 182 E HA 0.136 4.486 4.350 0.000 0.000 0.219 182 E C 1.488 177.875 176.600 -0.354 0.000 0.922 182 E CA 0.174 56.418 56.400 -0.259 0.000 1.095 182 E CB 0.162 29.663 29.700 -0.331 0.000 1.112 182 E HN 0.321 nan 8.360 nan 0.000 0.516 183 C N 1.128 120.194 119.300 -0.390 0.000 2.413 183 C HA -0.102 4.358 4.460 0.000 0.000 0.276 183 C C 2.781 177.324 174.990 -0.744 0.000 1.248 183 C CA 1.289 59.880 59.018 -0.713 0.000 1.742 183 C CB -0.874 26.490 27.740 -0.627 0.000 2.017 183 C HN 0.580 nan 8.230 nan 0.000 0.481 184 A N 0.244 122.859 122.820 -0.341 0.000 1.908 184 A HA -0.206 4.114 4.320 0.000 0.000 0.218 184 A C 2.192 179.713 177.584 -0.105 0.000 1.181 184 A CA 2.640 54.593 52.037 -0.140 0.000 0.627 184 A CB -1.139 17.818 19.000 -0.072 0.000 0.818 184 A HN 0.581 nan 8.150 nan 0.000 0.445 185 T N 0.050 114.493 114.554 -0.184 0.000 2.708 185 T HA -0.129 4.221 4.350 0.000 0.000 0.266 185 T C 1.856 176.381 174.700 -0.291 0.000 1.037 185 T CA 1.467 63.372 62.100 -0.326 0.000 1.146 185 T CB -0.424 68.225 68.868 -0.366 0.000 0.865 185 T HN 0.351 nan 8.240 nan 0.000 0.435 186 L N 0.753 121.780 121.223 -0.326 0.000 1.989 186 L HA -0.023 4.317 4.340 0.000 0.000 0.211 186 L C 2.073 178.946 176.870 0.005 0.000 1.071 186 L CA 1.800 56.496 54.840 -0.240 0.000 0.749 186 L CB -0.941 40.904 42.059 -0.355 0.000 0.890 186 L HN 0.334 nan 8.230 nan 0.000 0.431 187 F N -0.944 118.987 119.950 -0.032 0.000 2.102 187 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 187 F C 2.340 178.123 175.800 -0.028 0.000 1.105 187 F CA 1.136 59.137 58.000 0.003 0.000 1.239 187 F CB -0.895 38.120 39.000 0.026 0.000 0.991 187 F HN 0.087 nan 8.300 nan 0.000 0.474 188 T N 0.874 115.507 114.554 0.132 0.000 2.708 188 T HA -0.203 4.147 4.350 0.000 0.000 0.266 188 T C 1.842 176.464 174.700 -0.131 0.000 1.037 188 T CA 1.113 63.225 62.100 0.021 0.000 1.146 188 T CB -0.544 68.347 68.868 0.039 0.000 0.865 188 T HN 0.045 nan 8.240 nan 0.000 0.435 189 L N 1.194 122.267 121.223 -0.250 0.000 2.083 189 L HA -0.029 4.311 4.340 0.000 0.000 0.209 189 L C 2.503 179.106 176.870 -0.445 0.000 1.083 189 L CA 1.573 56.148 54.840 -0.441 0.000 0.752 189 L CB -0.878 40.909 42.059 -0.453 0.000 0.899 189 L HN 0.119 nan 8.230 nan 0.000 0.433 190 S N -0.727 114.895 115.700 -0.129 0.000 2.368 190 S HA -0.137 4.333 4.470 0.000 0.000 0.225 190 S C 1.904 176.431 174.600 -0.122 0.000 1.030 190 S CA 0.970 59.171 58.200 0.003 0.000 0.999 190 S CB -0.198 63.188 63.200 0.311 0.000 0.844 190 S HN 0.380 nan 8.310 nan 0.000 0.459 191 K N 1.000 121.359 120.400 -0.068 0.000 2.097 191 K HA 0.031 4.351 4.320 0.000 0.000 0.206 191 K C 2.063 178.582 176.600 -0.136 0.000 1.049 191 K CA 0.826 57.075 56.287 -0.063 0.000 0.933 191 K CB -0.759 31.732 32.500 -0.015 0.000 0.717 191 K HN 0.277 nan 8.250 nan 0.000 0.442 192 V N 1.641 121.429 119.914 -0.210 0.000 2.591 192 V HA -0.121 3.999 4.120 0.000 0.000 0.249 192 V C 2.053 177.951 176.094 -0.326 0.000 1.053 192 V CA 1.368 63.532 62.300 -0.227 0.000 1.068 192 V CB -0.197 31.489 31.823 -0.228 0.000 0.689 192 V HN 0.187 nan 8.190 nan 0.000 0.462 193 K N -0.129 119.920 120.400 -0.585 0.000 2.361 193 K HA 0.214 4.534 4.320 0.000 0.000 0.196 193 K C 1.451 177.685 176.600 -0.610 0.000 1.039 193 K CA 0.870 56.671 56.287 -0.810 0.000 1.001 193 K CB 0.337 31.726 32.500 -1.851 0.000 0.795 193 K HN 0.539 nan 8.250 nan 0.000 0.495 194 G N 1.507 110.069 108.800 -0.396 0.000 2.165 194 G HA2 -0.148 3.812 3.960 0.000 0.000 0.226 194 G HA3 -0.148 3.812 3.960 0.000 0.000 0.226 194 G C -0.508 174.439 174.900 0.078 0.000 1.035 194 G CA -0.300 44.727 45.100 -0.121 0.000 0.744 194 G HN 0.036 nan 8.290 nan 0.000 0.501 195 W N 0.224 121.577 121.300 0.089 0.000 2.516 195 W HA 0.656 5.316 4.660 0.000 0.000 0.343 195 W C 0.548 177.144 176.519 0.129 0.000 1.094 195 W CA -1.511 55.921 57.345 0.146 0.000 1.250 195 W CB 0.822 30.465 29.460 0.304 0.000 1.308 195 W HN -0.022 nan 8.180 nan 0.000 0.588 196 K N 1.781 122.389 120.400 0.346 0.000 2.253 196 K HA 0.495 4.815 4.320 0.000 0.000 0.277 196 K C -0.340 176.416 176.600 0.260 0.000 1.053 196 K CA -0.128 56.289 56.287 0.216 0.000 0.892 196 K CB 1.269 33.839 32.500 0.116 0.000 1.102 196 K HN 0.222 nan 8.250 nan 0.000 0.469 197 S N 0.968 116.818 115.700 0.251 0.000 2.599 197 S HA 0.853 5.323 4.470 0.000 0.000 0.287 197 S C -1.263 173.465 174.600 0.212 0.000 1.105 197 S CA -0.843 57.536 58.200 0.299 0.000 0.899 197 S CB 2.057 65.511 63.200 0.423 0.000 1.100 197 S HN 0.717 nan 8.310 nan 0.000 0.482 198 A N 0.904 123.888 122.820 0.272 0.000 2.581 198 A HA 0.917 5.237 4.320 0.000 0.000 0.290 198 A C -1.268 176.511 177.584 0.325 0.000 1.119 198 A CA -0.744 51.427 52.037 0.224 0.000 0.670 198 A CB 1.554 20.606 19.000 0.087 0.000 1.280 198 A HN 0.622 nan 8.150 nan 0.000 0.425 199 T N 0.070 114.797 114.554 0.289 0.000 3.041 199 T HA 0.585 4.935 4.350 0.000 0.000 0.321 199 T C -1.440 173.360 174.700 0.168 0.000 1.184 199 T CA -0.353 61.899 62.100 0.254 0.000 1.050 199 T CB 1.560 70.595 68.868 0.278 0.000 1.159 199 T HN 0.985 nan 8.240 nan 0.000 0.469 200 V N 3.833 123.859 119.914 0.187 0.000 2.656 200 V HA 0.658 4.778 4.120 0.000 0.000 0.307 200 V C -0.829 175.427 176.094 0.270 0.000 1.051 200 V CA -0.833 61.559 62.300 0.153 0.000 0.893 200 V CB 1.829 33.714 31.823 0.103 0.000 0.999 200 V HN 0.706 nan 8.190 nan 0.000 0.426 201 L N 3.955 125.304 121.223 0.210 0.000 2.362 201 L HA 0.695 5.035 4.340 0.000 0.000 0.271 201 L C -0.729 176.249 176.870 0.180 0.000 1.002 201 L CA -1.005 53.920 54.840 0.142 0.000 0.818 201 L CB 2.321 44.432 42.059 0.087 0.000 1.298 201 L HN 0.325 nan 8.230 nan 0.000 0.420 202 V N 2.846 122.793 119.914 0.055 0.000 2.383 202 V HA 0.200 4.320 4.120 0.000 0.000 0.275 202 V C 0.216 176.291 176.094 -0.033 0.000 1.036 202 V CA -0.701 61.609 62.300 0.016 0.000 0.889 202 V CB 1.699 33.497 31.823 -0.042 0.000 0.985 202 V HN 0.423 nan 8.190 nan 0.000 0.459 203 V N 5.514 125.396 119.914 -0.052 0.000 2.403 203 V HA 0.068 4.188 4.120 0.000 0.000 0.265 203 V C 1.277 177.347 176.094 -0.040 0.000 1.034 203 V CA 0.801 63.077 62.300 -0.040 0.000 1.036 203 V CB 0.733 32.528 31.823 -0.047 0.000 1.032 203 V HN 1.108 nan 8.190 nan 0.000 0.478 204 S N 1.595 117.285 115.700 -0.017 0.000 2.539 204 S HA 0.245 4.715 4.470 0.000 0.000 0.221 204 S C 0.157 174.770 174.600 0.022 0.000 0.987 204 S CA -0.273 57.928 58.200 0.001 0.000 0.929 204 S CB 0.275 63.479 63.200 0.006 0.000 0.832 204 S HN 0.744 nan 8.310 nan 0.000 0.492 205 D N 0.418 120.825 120.400 0.012 0.000 2.683 205 D HA 0.303 4.943 4.640 0.000 0.000 0.246 205 D C -2.229 174.068 176.300 -0.005 0.000 1.238 205 D CA -0.355 53.657 54.000 0.020 0.000 0.759 205 D CB 1.501 42.321 40.800 0.033 0.000 1.349 205 D HN 0.021 nan 8.370 nan 0.000 0.426 206 N N 2.933 121.630 118.700 -0.005 0.000 2.540 206 N HA 0.195 4.935 4.740 0.000 0.000 0.275 206 N C 0.261 175.762 175.510 -0.016 0.000 1.053 206 N CA -0.353 52.679 53.050 -0.030 0.000 0.876 206 N CB 1.231 39.689 38.487 -0.048 0.000 1.284 206 N HN 0.269 nan 8.380 nan 0.000 0.518 207 L N 2.584 123.799 121.223 -0.013 0.000 2.456 207 L HA 0.099 4.439 4.340 0.000 0.000 0.224 207 L C 2.043 178.917 176.870 0.007 0.000 1.148 207 L CA 1.115 55.958 54.840 0.005 0.000 0.825 207 L CB -0.265 41.815 42.059 0.036 0.000 0.937 207 L HN 0.678 nan 8.230 nan 0.000 0.450 208 A N -1.551 121.258 122.820 -0.017 0.000 2.267 208 A HA 0.156 4.476 4.320 0.000 0.000 0.213 208 A C 1.002 178.576 177.584 -0.017 0.000 1.192 208 A CA 0.114 52.138 52.037 -0.022 0.000 0.851 208 A CB 0.030 18.997 19.000 -0.055 0.000 0.881 208 A HN 0.122 nan 8.150 nan 0.000 0.494 209 K N -0.529 119.862 120.400 -0.014 0.000 2.756 209 K HA 0.414 4.734 4.320 0.000 0.000 0.218 209 K C 0.766 177.378 176.600 0.020 0.000 1.057 209 K CA 0.363 56.650 56.287 0.000 0.000 1.056 209 K CB 0.304 32.796 32.500 -0.013 0.000 1.235 209 K HN 0.037 nan 8.250 nan 0.000 0.547 210 G N 1.074 109.892 108.800 0.031 0.000 2.598 210 G HA2 -0.094 3.866 3.960 0.000 0.000 0.215 210 G HA3 -0.094 3.866 3.960 0.000 0.000 0.215 210 G C 0.983 175.931 174.900 0.080 0.000 1.131 210 G CA 0.501 45.630 45.100 0.048 0.000 0.785 210 G HN 0.659 nan 8.290 nan 0.000 0.539 211 G N 0.645 109.492 108.800 0.079 0.000 2.572 211 G HA2 0.175 4.135 3.960 0.000 0.000 0.216 211 G HA3 0.175 4.135 3.960 0.000 0.000 0.216 211 G C 0.891 175.897 174.900 0.178 0.000 1.133 211 G CA 0.338 45.510 45.100 0.119 0.000 0.791 211 G HN 0.590 nan 8.290 nan 0.000 0.538 212 I N -1.602 119.036 120.570 0.113 0.000 2.440 212 I HA 0.666 4.836 4.170 0.000 0.000 0.294 212 I C -0.095 176.123 176.117 0.168 0.000 0.995 212 I CA -1.422 59.910 61.300 0.054 0.000 1.306 212 I CB 1.072 39.055 38.000 -0.028 0.000 1.407 212 I HN 0.201 nan 8.210 nan 0.000 0.501 213 W N 5.197 126.499 121.300 0.003 0.000 3.062 213 W HA 0.790 5.450 4.660 -0.000 0.000 0.336 213 W C -2.107 174.414 176.519 0.004 0.000 1.224 213 W CA -1.224 56.123 57.345 0.004 0.000 1.159 213 W CB 1.173 30.637 29.460 0.007 0.000 1.454 213 W HN 0.640 nan 8.180 nan 0.000 0.569 214 I N 1.992 122.740 120.570 0.297 0.000 2.802 214 I HA 0.434 4.604 4.170 0.000 0.000 0.298 214 I C -0.092 176.184 176.117 0.265 0.000 1.176 214 I CA -0.435 60.956 61.300 0.151 0.000 1.025 214 I CB 2.706 40.730 38.000 0.041 0.000 1.243 214 I HN 0.545 nan 8.210 nan 0.000 0.424 215 T N 2.020 116.704 114.554 0.217 0.000 2.874 215 T HA 0.290 4.640 4.350 0.000 0.000 0.281 215 T C 0.942 175.705 174.700 0.104 0.000 0.994 215 T CA -0.563 61.648 62.100 0.186 0.000 1.015 215 T CB 1.381 70.360 68.868 0.184 0.000 1.028 215 T HN 0.796 nan 8.240 nan 0.000 0.523 216 K N 0.538 120.986 120.400 0.081 0.000 2.280 216 K HA -0.169 4.151 4.320 0.000 0.000 0.202 216 K C 1.779 178.409 176.600 0.050 0.000 1.047 216 K CA 1.513 57.833 56.287 0.054 0.000 0.942 216 K CB -0.249 32.275 32.500 0.041 0.000 0.739 216 K HN 0.860 nan 8.250 nan 0.000 0.457 217 E N 1.786 122.019 120.200 0.056 0.000 2.046 217 E HA -0.193 4.157 4.350 0.000 0.000 0.190 217 E C 1.605 178.233 176.600 0.047 0.000 0.982 217 E CA 1.115 57.544 56.400 0.049 0.000 0.800 217 E CB -0.249 29.482 29.700 0.051 0.000 0.756 217 E HN 0.511 nan 8.360 nan 0.000 0.449 218 E N 0.688 120.917 120.200 0.048 0.000 2.107 218 E HA -0.126 4.224 4.350 0.000 0.000 0.191 218 E C 2.125 178.746 176.600 0.035 0.000 0.982 218 E CA 0.757 57.179 56.400 0.035 0.000 0.809 218 E CB -0.074 29.638 29.700 0.020 0.000 0.756 218 E HN 0.150 nan 8.360 nan 0.000 0.459 219 L N 1.641 122.887 121.223 0.037 0.000 2.056 219 L HA -0.161 4.179 4.340 0.000 0.000 0.207 219 L C 2.313 179.210 176.870 0.044 0.000 1.078 219 L CA 1.862 56.721 54.840 0.030 0.000 0.749 219 L CB -0.258 41.819 42.059 0.030 0.000 0.901 219 L HN 0.057 nan 8.230 nan 0.000 0.433 220 E N -0.810 119.419 120.200 0.047 0.000 2.153 220 E HA -0.265 4.085 4.350 0.000 0.000 0.194 220 E C 2.108 178.753 176.600 0.073 0.000 0.988 220 E CA 0.869 57.302 56.400 0.054 0.000 0.811 220 E CB -0.081 29.645 29.700 0.043 0.000 0.746 220 E HN 0.271 nan 8.360 nan 0.000 0.466 221 K N 0.656 121.097 120.400 0.069 0.000 2.057 221 K HA -0.114 4.206 4.320 0.000 0.000 0.206 221 K C 2.230 178.903 176.600 0.120 0.000 1.050 221 K CA 1.471 57.805 56.287 0.079 0.000 0.935 221 K CB -0.495 32.043 32.500 0.062 0.000 0.715 221 K HN 0.092 nan 8.250 nan 0.000 0.439 222 S N 0.205 115.978 115.700 0.121 0.000 2.368 222 S HA -0.089 4.381 4.470 0.000 0.000 0.225 222 S C 2.075 176.872 174.600 0.328 0.000 1.030 222 S CA 1.396 59.709 58.200 0.188 0.000 0.999 222 S CB -0.180 63.041 63.200 0.034 0.000 0.844 222 S HN 0.130 nan 8.310 nan 0.000 0.459 223 V N 2.445 122.501 119.914 0.237 0.000 2.343 223 V HA -0.176 3.944 4.120 0.000 0.000 0.247 223 V C 2.660 178.963 176.094 0.349 0.000 1.051 223 V CA 1.831 64.316 62.300 0.309 0.000 1.036 223 V CB -0.592 31.318 31.823 0.145 0.000 0.654 223 V HN 0.509 nan 8.190 nan 0.000 0.451 224 M N -0.462 119.260 119.600 0.203 0.000 2.099 224 M HA -0.138 4.342 4.480 0.000 0.000 0.262 224 M C 2.073 178.427 176.300 0.090 0.000 1.067 224 M CA 1.696 57.073 55.300 0.129 0.000 1.124 224 M CB -1.313 31.336 32.600 0.082 0.000 1.353 224 M HN 0.358 nan 8.290 nan 0.000 0.410 225 D N 0.086 120.556 120.400 0.116 0.000 2.123 225 D HA -0.103 4.537 4.640 0.000 0.000 0.196 225 D C 1.996 178.243 176.300 -0.088 0.000 0.992 225 D CA 1.701 55.726 54.000 0.042 0.000 0.833 225 D CB -0.546 40.322 40.800 0.113 0.000 0.954 225 D HN 0.459 nan 8.370 nan 0.000 0.455 226 G N 0.683 109.513 108.800 0.049 0.000 2.408 226 G HA2 -0.121 3.839 3.960 0.000 0.000 0.217 226 G HA3 -0.121 3.839 3.960 0.000 0.000 0.217 226 G C 1.725 176.365 174.900 -0.433 0.000 1.150 226 G CA 1.021 46.005 45.100 -0.194 0.000 0.776 226 G HN 0.384 nan 8.290 nan 0.000 0.542 227 A N 0.898 123.537 122.820 -0.302 0.000 1.933 227 A HA -0.021 4.299 4.320 0.000 0.000 0.218 227 A C 2.290 179.633 177.584 -0.402 0.000 1.175 227 A CA 1.952 53.709 52.037 -0.466 0.000 0.628 227 A CB -0.318 18.611 19.000 -0.118 0.000 0.814 227 A HN 0.393 nan 8.150 nan 0.000 0.444 228 K N -0.355 119.873 120.400 -0.286 0.000 2.057 228 K HA -0.017 4.303 4.320 0.000 0.000 0.206 228 K C 2.319 178.741 176.600 -0.297 0.000 1.050 228 K CA 1.063 57.215 56.287 -0.224 0.000 0.935 228 K CB -0.309 32.133 32.500 -0.096 0.000 0.715 228 K HN 0.435 nan 8.250 nan 0.000 0.439 229 A N 1.010 123.549 122.820 -0.468 0.000 1.902 229 A HA -0.119 4.201 4.320 0.000 0.000 0.217 229 A C 2.366 179.713 177.584 -0.395 0.000 1.181 229 A CA 1.389 53.067 52.037 -0.598 0.000 0.623 229 A CB -0.623 17.535 19.000 -1.404 0.000 0.818 229 A HN 0.066 nan 8.150 nan 0.000 0.443 230 V N 0.032 119.718 119.914 -0.380 0.000 2.358 230 V HA -0.230 3.890 4.120 0.000 0.000 0.246 230 V C 2.535 178.475 176.094 -0.257 0.000 1.047 230 V CA 1.858 64.019 62.300 -0.233 0.000 1.035 230 V CB -0.744 30.870 31.823 -0.348 0.000 0.658 230 V HN 0.560 nan 8.190 nan 0.000 0.452 231 L N -0.221 120.757 121.223 -0.408 0.000 2.131 231 L HA -0.170 4.170 4.340 0.000 0.000 0.210 231 L C 2.341 179.023 176.870 -0.313 0.000 1.092 231 L CA 1.328 55.822 54.840 -0.576 0.000 0.759 231 L CB -0.686 40.597 42.059 -1.293 0.000 0.903 231 L HN 0.346 nan 8.230 nan 0.000 0.435 232 D N -0.572 119.755 120.400 -0.122 0.000 2.117 232 D HA -0.150 4.490 4.640 0.000 0.000 0.197 232 D C 2.178 178.482 176.300 0.007 0.000 0.987 232 D CA 1.662 55.711 54.000 0.081 0.000 0.829 232 D CB -0.200 40.609 40.800 0.015 0.000 0.961 232 D HN 0.241 nan 8.370 nan 0.000 0.460 233 T N 1.032 115.556 114.554 -0.051 0.000 2.737 233 T HA -0.042 4.308 4.350 0.000 0.000 0.265 233 T C 2.180 176.861 174.700 -0.031 0.000 1.038 233 T CA 0.398 62.477 62.100 -0.035 0.000 1.144 233 T CB -0.264 68.586 68.868 -0.030 0.000 0.866 233 T HN 0.117 nan 8.240 nan 0.000 0.434 234 L N 1.366 122.558 121.223 -0.053 0.000 2.191 234 L HA -0.069 4.271 4.340 0.000 0.000 0.212 234 L C 2.475 179.334 176.870 -0.020 0.000 1.103 234 L CA 1.368 56.180 54.840 -0.047 0.000 0.769 234 L CB -0.590 41.421 42.059 -0.079 0.000 0.908 234 L HN 0.457 nan 8.230 nan 0.000 0.438 235 T N -4.590 109.973 114.554 0.016 0.000 3.145 235 T HA 0.131 4.481 4.350 0.000 0.000 0.255 235 T C 0.814 175.534 174.700 0.035 0.000 1.039 235 T CA 0.004 62.136 62.100 0.053 0.000 0.928 235 T CB -0.065 68.900 68.868 0.160 0.000 1.029 235 T HN 0.249 nan 8.240 nan 0.000 0.554 236 S N 0.000 115.709 115.700 0.015 0.000 2.498 236 S HA 0.000 4.470 4.470 0.000 0.000 0.327 236 S CA 0.000 58.202 58.200 0.004 0.000 1.107 236 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 236 S HN 0.000 nan 8.310 nan 0.000 0.517