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 3fsx_1_B DATA FIRST_RESID 4 DATA SEQUENCE VTGAAGIGLA TLAADGSVLD TWFPAPELTE SGTSATSRLA VSDVPVELAA DATA SEQUENCE LIGRDDDRRT ETIAVRTVIG SLDDVAADPY DAYLRLHLLS HRLVAPHGLN DATA SEQUENCE AGGLFGVLTN VVWTNHGPCA IDGFEAVRAR LRRRGPVTVY GVDKFPRMVD DATA SEQUENCE YVVPTGVRIA DADRVRLGAH LAPGTTVMHE GFVNYNAGTL GASMVEGRIS DATA SEQUENCE AGVVVGDGSD VGGGASIMGT LSGGGTHVIS IGKRCLLGAN SGLGISLGDD DATA SEQUENCE CVVEAGLYVT AGTRVTMPDS NSVKARELSG SSNLLFRRNS VSGAVEVLAR DATA SEQUENCE DGQGIA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.094 176.094 -0.000 0.000 1.182 4 V CA 0.000 62.301 62.300 0.002 0.000 1.235 4 V CB 0.000 31.824 31.823 0.001 0.000 1.184 5 T N 1.397 115.951 114.554 -0.000 0.000 2.855 5 T HA 0.779 5.129 4.350 -0.000 0.000 0.281 5 T C 0.593 175.288 174.700 -0.008 0.000 1.007 5 T CA 0.337 62.434 62.100 -0.004 0.000 1.009 5 T CB 2.141 71.007 68.868 -0.003 0.000 0.983 5 T HN 0.637 nan 8.240 nan 0.000 0.455 6 G N 0.657 109.448 108.800 -0.015 0.000 2.938 6 G HA2 0.869 4.829 3.960 -0.000 0.000 0.258 6 G HA3 0.869 4.829 3.960 -0.000 0.000 0.258 6 G C -1.290 173.588 174.900 -0.036 0.000 1.356 6 G CA -0.587 44.500 45.100 -0.023 0.000 1.052 6 G HN 0.998 nan 8.290 nan 0.000 0.550 7 A N -2.361 120.427 122.820 -0.053 0.000 2.610 7 A HA 0.962 5.282 4.320 -0.000 0.000 0.291 7 A C -0.756 176.765 177.584 -0.104 0.000 1.086 7 A CA 0.139 52.127 52.037 -0.082 0.000 0.677 7 A CB 1.205 20.145 19.000 -0.100 0.000 1.278 7 A HN 2.331 nan 8.150 nan 0.000 0.414 8 A N -0.695 122.045 122.820 -0.133 0.000 2.609 8 A HA 0.996 5.316 4.320 -0.000 0.000 0.291 8 A C -0.283 177.188 177.584 -0.187 0.000 1.096 8 A CA -0.127 51.828 52.037 -0.136 0.000 0.684 8 A CB 1.489 20.441 19.000 -0.080 0.000 1.282 8 A HN 2.611 nan 8.150 nan 0.000 0.412 9 G N -0.176 108.530 108.800 -0.157 0.000 2.733 9 G HA2 0.541 4.501 3.960 -0.000 0.000 0.297 9 G HA3 0.541 4.501 3.960 -0.000 0.000 0.297 9 G C -1.362 173.627 174.900 0.148 0.000 1.452 9 G CA -0.570 44.480 45.100 -0.085 0.000 0.940 9 G HN 0.710 nan 8.290 nan 0.000 0.547 10 I N 1.356 121.994 120.570 0.114 0.000 2.395 10 I HA 0.546 4.716 4.170 -0.000 0.000 0.289 10 I C 0.974 177.094 176.117 0.004 0.000 1.023 10 I CA -0.059 61.273 61.300 0.054 0.000 1.350 10 I CB 1.569 39.547 38.000 -0.037 0.000 1.409 10 I HN 0.577 nan 8.210 nan 0.000 0.507 11 G N 5.873 114.568 108.800 -0.175 0.000 2.533 11 G HA2 0.623 4.583 3.960 -0.000 0.000 0.304 11 G HA3 0.623 4.583 3.960 -0.000 0.000 0.304 11 G C -1.751 172.935 174.900 -0.358 0.000 1.263 11 G CA -0.570 44.161 45.100 -0.614 0.000 0.964 11 G HN 0.366 nan 8.290 nan 0.000 0.479 12 L N 1.768 122.809 121.223 -0.304 0.000 2.277 12 L HA 0.748 5.088 4.340 -0.000 0.000 0.284 12 L C 0.471 177.315 176.870 -0.044 0.000 1.028 12 L CA -0.601 54.194 54.840 -0.075 0.000 0.835 12 L CB 0.615 42.750 42.059 0.127 0.000 1.215 12 L HN 0.683 nan 8.230 nan 0.000 0.425 13 A N 3.145 125.948 122.820 -0.029 0.000 2.312 13 A HA 0.777 5.097 4.320 -0.000 0.000 0.326 13 A C -0.167 177.432 177.584 0.024 0.000 1.172 13 A CA -0.414 51.626 52.037 0.005 0.000 0.821 13 A CB 0.611 19.707 19.000 0.161 0.000 1.166 13 A HN 0.628 nan 8.150 nan 0.000 0.493 14 T N 3.328 117.881 114.554 -0.002 0.000 2.771 14 T HA 0.542 4.892 4.350 -0.000 0.000 0.281 14 T C -0.265 174.415 174.700 -0.035 0.000 0.982 14 T CA -0.097 62.003 62.100 0.000 0.000 0.978 14 T CB 0.304 69.180 68.868 0.015 0.000 0.930 14 T HN 0.449 nan 8.240 nan 0.000 0.447 15 L N 2.298 123.510 121.223 -0.019 0.000 2.331 15 L HA 0.778 5.118 4.340 -0.000 0.000 0.275 15 L C 0.744 177.592 176.870 -0.036 0.000 1.022 15 L CA -1.286 53.534 54.840 -0.033 0.000 0.812 15 L CB 1.336 43.393 42.059 -0.003 0.000 1.257 15 L HN 0.647 nan 8.230 nan 0.000 0.435 16 A N 1.504 124.293 122.820 -0.052 0.000 2.280 16 A HA 0.578 4.898 4.320 -0.000 0.000 0.268 16 A C 1.211 178.778 177.584 -0.028 0.000 1.111 16 A CA 0.417 52.426 52.037 -0.046 0.000 0.814 16 A CB 0.444 19.407 19.000 -0.062 0.000 1.093 16 A HN 0.928 nan 8.150 nan 0.000 0.498 17 A N -0.189 122.618 122.820 -0.023 0.000 2.024 17 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 17 A C 1.275 178.849 177.584 -0.016 0.000 1.164 17 A CA 2.172 54.199 52.037 -0.017 0.000 0.643 17 A CB -0.666 18.325 19.000 -0.015 0.000 0.806 17 A HN 0.870 nan 8.150 nan 0.000 0.451 18 D N -2.975 117.412 120.400 -0.021 0.000 2.340 18 D HA 0.325 4.965 4.640 -0.000 0.000 0.217 18 D C 1.096 177.386 176.300 -0.017 0.000 1.081 18 D CA 0.837 54.826 54.000 -0.018 0.000 0.842 18 D CB -0.365 40.422 40.800 -0.021 0.000 0.934 18 D HN 0.726 nan 8.370 nan 0.000 0.511 19 G N 0.225 109.014 108.800 -0.018 0.000 2.194 19 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.236 19 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.236 19 G C 0.390 175.274 174.900 -0.026 0.000 0.987 19 G CA 0.227 45.320 45.100 -0.011 0.000 0.635 19 G HN 0.797 nan 8.290 nan 0.000 0.520 20 S N -0.107 115.565 115.700 -0.047 0.000 2.564 20 S HA 0.586 5.056 4.470 -0.000 0.000 0.278 20 S C 0.462 174.998 174.600 -0.107 0.000 1.333 20 S CA -0.178 57.977 58.200 -0.075 0.000 1.048 20 S CB 2.231 65.384 63.200 -0.078 0.000 0.900 20 S HN 1.062 nan 8.310 nan 0.000 0.505 21 V N 4.634 124.450 119.914 -0.164 0.000 2.479 21 V HA 0.076 4.196 4.120 -0.000 0.000 0.281 21 V C 1.189 177.179 176.094 -0.174 0.000 1.031 21 V CA -0.055 62.106 62.300 -0.231 0.000 1.038 21 V CB -0.185 31.348 31.823 -0.483 0.000 0.981 21 V HN 0.915 nan 8.190 nan 0.000 0.478 22 L N 3.155 124.282 121.223 -0.159 0.000 2.130 22 L HA 0.213 4.553 4.340 -0.000 0.000 0.200 22 L C 0.794 177.606 176.870 -0.096 0.000 1.075 22 L CA 0.903 55.648 54.840 -0.158 0.000 0.768 22 L CB 0.028 41.967 42.059 -0.200 0.000 0.933 22 L HN 0.879 nan 8.230 nan 0.000 0.451 23 D N -2.129 118.156 120.400 -0.191 0.000 2.643 23 D HA 0.292 4.932 4.640 -0.000 0.000 0.283 23 D C -1.044 174.925 176.300 -0.552 0.000 1.242 23 D CA -0.349 53.341 54.000 -0.517 0.000 0.863 23 D CB 2.115 43.009 40.800 0.156 0.000 1.382 23 D HN -0.217 nan 8.370 nan 0.000 0.444 24 T N 0.300 114.380 114.554 -0.790 0.000 3.071 24 T HA 0.358 4.708 4.350 -0.000 0.000 0.311 24 T C -1.767 172.885 174.700 -0.079 0.000 1.042 24 T CA -0.536 61.341 62.100 -0.372 0.000 1.028 24 T CB 1.007 69.635 68.868 -0.401 0.000 1.068 24 T HN 0.474 nan 8.240 nan 0.000 0.451 25 W N 5.565 126.784 121.300 -0.135 0.000 2.291 25 W HA 0.690 5.349 4.660 -0.000 0.000 0.312 25 W C -1.980 174.390 176.519 -0.248 0.000 1.061 25 W CA -2.126 55.326 57.345 0.178 0.000 1.296 25 W CB 0.125 29.714 29.460 0.215 0.000 1.223 25 W HN 0.531 nan 8.180 nan 0.000 0.421 26 F N 9.445 129.179 119.950 -0.360 0.000 2.334 26 F HA 0.294 4.821 4.527 -0.000 0.000 0.367 26 F C -1.244 174.300 175.800 -0.427 0.000 1.115 26 F CA -2.258 55.434 58.000 -0.512 0.000 1.116 26 F CB 1.110 39.789 39.000 -0.536 0.000 1.230 26 F HN 0.232 nan 8.300 nan 0.000 0.484 27 P HA -0.133 nan 4.420 nan 0.000 0.215 27 P C 0.196 177.505 177.300 0.015 0.000 1.153 27 P CA 1.152 64.076 63.100 -0.293 0.000 0.853 27 P CB 0.372 31.802 31.700 -0.451 0.000 0.788 28 A N -0.909 121.873 122.820 -0.062 0.000 3.159 28 A HA 0.429 4.749 4.320 -0.000 0.000 0.330 28 A C -2.445 175.060 177.584 -0.133 0.000 1.032 28 A CA -1.232 50.769 52.037 -0.060 0.000 0.841 28 A CB -0.182 18.800 19.000 -0.031 0.000 1.093 28 A HN 0.037 nan 8.150 nan 0.000 0.478 29 P HA 0.355 nan 4.420 nan 0.000 0.272 29 P C -0.477 176.709 177.300 -0.191 0.000 1.230 29 P CA 0.207 63.149 63.100 -0.264 0.000 0.788 29 P CB 0.887 32.376 31.700 -0.352 0.000 0.949 30 E N 0.633 120.742 120.200 -0.151 0.000 2.413 30 E HA 0.450 4.800 4.350 -0.000 0.000 0.277 30 E C -1.210 175.341 176.600 -0.082 0.000 0.958 30 E CA -1.017 55.327 56.400 -0.094 0.000 0.779 30 E CB 0.980 30.640 29.700 -0.067 0.000 1.278 30 E HN 0.203 nan 8.360 nan 0.000 0.456 31 L N 1.900 123.092 121.223 -0.051 0.000 2.371 31 L HA 0.442 4.782 4.340 -0.000 0.000 0.272 31 L C 0.304 177.153 176.870 -0.035 0.000 1.124 31 L CA -0.124 54.693 54.840 -0.039 0.000 0.816 31 L CB 1.282 43.329 42.059 -0.019 0.000 1.129 31 L HN 0.854 nan 8.230 nan 0.000 0.448 32 T N -1.362 113.172 114.554 -0.033 0.000 2.865 32 T HA 0.355 4.705 4.350 -0.000 0.000 0.294 32 T C -0.274 174.414 174.700 -0.020 0.000 1.119 32 T CA -1.010 61.074 62.100 -0.028 0.000 1.007 32 T CB 1.689 70.537 68.868 -0.033 0.000 1.225 32 T HN 0.509 nan 8.240 nan 0.000 0.515 33 E N 1.154 121.344 120.200 -0.016 0.000 2.485 33 E HA 0.190 4.540 4.350 -0.000 0.000 0.266 33 E C 0.419 177.011 176.600 -0.013 0.000 1.137 33 E CA 0.108 56.501 56.400 -0.012 0.000 1.010 33 E CB 0.390 30.084 29.700 -0.010 0.000 0.986 33 E HN 0.794 nan 8.360 nan 0.000 0.460 34 S N 0.309 116.003 115.700 -0.009 0.000 2.572 34 S HA 0.486 4.956 4.470 -0.000 0.000 0.279 34 S C 0.318 174.913 174.600 -0.008 0.000 1.341 34 S CA -0.259 57.936 58.200 -0.008 0.000 1.043 34 S CB 1.690 64.888 63.200 -0.004 0.000 0.887 34 S HN 0.659 nan 8.310 nan 0.000 0.516 35 G N 0.723 109.518 108.800 -0.009 0.000 2.894 35 G HA2 0.595 4.555 3.960 -0.000 0.000 0.164 35 G HA3 0.595 4.555 3.960 -0.000 0.000 0.164 35 G C -1.341 173.555 174.900 -0.006 0.000 1.180 35 G CA -0.599 44.495 45.100 -0.009 0.000 0.997 35 G HN 0.769 nan 8.290 nan 0.000 0.572 36 T N 1.508 116.058 114.554 -0.008 0.000 2.840 36 T HA 0.581 4.931 4.350 -0.000 0.000 0.287 36 T C -0.213 174.484 174.700 -0.005 0.000 0.991 36 T CA -0.228 61.869 62.100 -0.004 0.000 0.964 36 T CB 1.367 70.232 68.868 -0.005 0.000 0.954 36 T HN 0.480 nan 8.240 nan 0.000 0.438 37 S N 2.549 118.249 115.700 0.001 0.000 2.533 37 S HA 0.636 5.106 4.470 -0.000 0.000 0.282 37 S C 0.251 174.854 174.600 0.005 0.000 1.304 37 S CA -0.675 57.527 58.200 0.004 0.000 1.063 37 S CB 0.449 63.658 63.200 0.015 0.000 0.881 37 S HN 1.045 nan 8.310 nan 0.000 0.493 38 A N 2.681 125.501 122.820 -0.000 0.000 2.583 38 A HA 0.670 4.990 4.320 -0.000 0.000 0.292 38 A C -0.707 176.858 177.584 -0.030 0.000 1.045 38 A CA -0.841 51.191 52.037 -0.007 0.000 0.672 38 A CB 1.129 20.119 19.000 -0.016 0.000 1.283 38 A HN 0.555 nan 8.150 nan 0.000 0.419 39 T N 2.039 116.552 114.554 -0.069 0.000 2.812 39 T HA 0.707 5.057 4.350 -0.000 0.000 0.282 39 T C -0.086 174.503 174.700 -0.185 0.000 0.990 39 T CA 0.000 61.990 62.100 -0.185 0.000 0.960 39 T CB 1.217 69.816 68.868 -0.450 0.000 0.948 39 T HN 1.121 nan 8.240 nan 0.000 0.438 40 S N 2.999 118.603 115.700 -0.159 0.000 2.607 40 S HA 0.643 5.113 4.470 -0.000 0.000 0.303 40 S C -0.465 174.054 174.600 -0.135 0.000 1.086 40 S CA -1.337 56.789 58.200 -0.123 0.000 0.995 40 S CB 1.410 64.567 63.200 -0.072 0.000 1.084 40 S HN 0.484 nan 8.310 nan 0.000 0.507 41 R N 1.084 121.525 120.500 -0.098 0.000 2.298 41 R HA 0.303 4.643 4.340 -0.000 0.000 0.310 41 R C -0.442 175.823 176.300 -0.059 0.000 1.068 41 R CA -0.264 55.789 56.100 -0.079 0.000 0.957 41 R CB 0.198 30.467 30.300 -0.051 0.000 1.003 41 R HN 0.606 nan 8.270 nan 0.000 0.454 42 L N 2.480 123.669 121.223 -0.057 0.000 2.453 42 L HA 0.102 4.442 4.340 -0.000 0.000 0.272 42 L C 1.026 177.877 176.870 -0.032 0.000 1.182 42 L CA -0.142 54.672 54.840 -0.043 0.000 0.858 42 L CB 0.638 42.671 42.059 -0.043 0.000 1.120 42 L HN 0.649 nan 8.230 nan 0.000 0.474 43 A N 3.334 126.138 122.820 -0.027 0.000 2.448 43 A HA 0.168 4.488 4.320 -0.000 0.000 0.239 43 A C 1.270 178.844 177.584 -0.018 0.000 1.080 43 A CA -0.433 51.592 52.037 -0.020 0.000 0.779 43 A CB 0.544 19.533 19.000 -0.018 0.000 1.026 43 A HN 0.622 nan 8.150 nan 0.000 0.499 44 V N 1.859 121.765 119.914 -0.013 0.000 2.324 44 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 44 V C 2.754 178.842 176.094 -0.011 0.000 1.060 44 V CA 2.882 65.176 62.300 -0.011 0.000 1.042 44 V CB -0.811 31.008 31.823 -0.007 0.000 0.650 44 V HN 1.148 nan 8.190 nan 0.000 0.450 45 S N -1.144 114.550 115.700 -0.011 0.000 2.561 45 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 45 S C 1.180 175.772 174.600 -0.013 0.000 0.977 45 S CA 1.005 59.199 58.200 -0.010 0.000 0.926 45 S CB -0.227 62.968 63.200 -0.009 0.000 0.769 45 S HN 0.621 nan 8.310 nan 0.000 0.533 46 D N 1.100 121.490 120.400 -0.017 0.000 2.369 46 D HA 0.231 4.871 4.640 -0.000 0.000 0.211 46 D C -0.289 175.996 176.300 -0.025 0.000 1.077 46 D CA 0.055 54.043 54.000 -0.021 0.000 0.842 46 D CB 0.830 41.616 40.800 -0.023 0.000 0.947 46 D HN 0.260 nan 8.370 nan 0.000 0.509 47 V N 3.206 123.107 119.914 -0.023 0.000 2.455 47 V HA 0.160 4.280 4.120 -0.000 0.000 0.273 47 V C -1.929 174.152 176.094 -0.023 0.000 1.045 47 V CA -1.381 60.904 62.300 -0.026 0.000 0.976 47 V CB 0.724 32.535 31.823 -0.019 0.000 0.993 47 V HN -0.079 nan 8.190 nan 0.000 0.475 48 P HA 0.018 nan 4.420 nan 0.000 0.266 48 P C 1.131 178.424 177.300 -0.011 0.000 1.195 48 P CA -0.075 63.010 63.100 -0.024 0.000 0.768 48 P CB 0.541 32.216 31.700 -0.041 0.000 0.838 49 V N 1.211 121.124 119.914 -0.002 0.000 2.317 49 V HA -0.324 3.796 4.120 -0.000 0.000 0.251 49 V C 1.516 177.621 176.094 0.018 0.000 1.065 49 V CA 2.077 64.382 62.300 0.008 0.000 1.049 49 V CB -1.605 30.224 31.823 0.010 0.000 0.651 49 V HN 0.417 nan 8.190 nan 0.000 0.450 50 E N 1.264 121.478 120.200 0.022 0.000 2.153 50 E HA -0.037 4.313 4.350 -0.000 0.000 0.194 50 E C 2.044 178.680 176.600 0.061 0.000 0.988 50 E CA 1.523 57.951 56.400 0.048 0.000 0.811 50 E CB -0.509 29.226 29.700 0.059 0.000 0.746 50 E HN 0.646 nan 8.360 nan 0.000 0.466 51 L N -0.126 121.114 121.223 0.027 0.000 2.375 51 L HA 0.198 4.538 4.340 -0.000 0.000 0.215 51 L C 2.292 179.183 176.870 0.036 0.000 1.108 51 L CA 0.478 55.339 54.840 0.035 0.000 0.830 51 L CB -0.341 41.700 42.059 -0.030 0.000 0.959 51 L HN 0.140 nan 8.230 nan 0.000 0.457 52 A N 0.885 123.718 122.820 0.021 0.000 1.908 52 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 52 A C 2.490 180.090 177.584 0.027 0.000 1.181 52 A CA 1.771 53.818 52.037 0.017 0.000 0.627 52 A CB -0.600 18.406 19.000 0.011 0.000 0.818 52 A HN 0.372 nan 8.150 nan 0.000 0.445 53 A N -0.944 121.897 122.820 0.035 0.000 2.186 53 A HA 0.085 4.405 4.320 -0.000 0.000 0.219 53 A C 1.772 179.384 177.584 0.047 0.000 1.159 53 A CA 1.345 53.405 52.037 0.038 0.000 0.680 53 A CB -0.414 18.611 19.000 0.042 0.000 0.787 53 A HN 0.495 nan 8.150 nan 0.000 0.467 54 L N -0.998 120.261 121.223 0.060 0.000 2.766 54 L HA 0.344 4.684 4.340 -0.000 0.000 0.242 54 L C 0.022 176.929 176.870 0.062 0.000 1.136 54 L CA -0.239 54.646 54.840 0.075 0.000 0.933 54 L CB 0.139 42.276 42.059 0.129 0.000 1.241 54 L HN 0.213 nan 8.230 nan 0.000 0.522 55 I N 0.453 121.049 120.570 0.044 0.000 2.519 55 I HA 0.476 4.646 4.170 -0.000 0.000 0.287 55 I C 0.709 176.842 176.117 0.027 0.000 1.047 55 I CA 0.059 61.378 61.300 0.033 0.000 1.381 55 I CB 1.312 39.324 38.000 0.021 0.000 1.417 55 I HN 0.082 nan 8.210 nan 0.000 0.540 56 G N 5.532 114.346 108.800 0.025 0.000 2.321 56 G HA2 0.401 4.361 3.960 -0.000 0.000 0.296 56 G HA3 0.401 4.361 3.960 -0.000 0.000 0.296 56 G C -1.626 173.284 174.900 0.017 0.000 1.287 56 G CA -0.981 44.131 45.100 0.020 0.000 0.846 56 G HN 0.495 nan 8.290 nan 0.000 0.508 57 R N 0.269 120.777 120.500 0.013 0.000 2.575 57 R HA 0.456 4.796 4.340 -0.000 0.000 0.293 57 R C -1.727 174.578 176.300 0.008 0.000 0.983 57 R CA -0.889 55.217 56.100 0.010 0.000 0.887 57 R CB 2.565 32.868 30.300 0.005 0.000 1.184 57 R HN 0.442 nan 8.270 nan 0.000 0.445 58 D N 2.027 122.432 120.400 0.008 0.000 2.359 58 D HA 0.076 4.716 4.640 -0.000 0.000 0.230 58 D C -0.113 176.182 176.300 -0.008 0.000 1.118 58 D CA -0.212 53.790 54.000 0.004 0.000 0.844 58 D CB 1.265 42.073 40.800 0.013 0.000 1.059 58 D HN 0.430 nan 8.370 nan 0.000 0.493 59 D N 2.395 122.786 120.400 -0.014 0.000 2.224 59 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 59 D C 0.996 177.275 176.300 -0.035 0.000 0.965 59 D CA 0.747 54.733 54.000 -0.022 0.000 0.852 59 D CB 0.420 41.207 40.800 -0.022 0.000 0.947 59 D HN 0.491 nan 8.370 nan 0.000 0.494 60 D N 0.241 120.614 120.400 -0.046 0.000 2.137 60 D HA -0.019 4.621 4.640 -0.000 0.000 0.202 60 D C 1.915 178.172 176.300 -0.073 0.000 0.970 60 D CA 0.605 54.562 54.000 -0.073 0.000 0.837 60 D CB 0.016 40.753 40.800 -0.105 0.000 0.981 60 D HN 0.151 nan 8.370 nan 0.000 0.475 61 R N 0.017 120.489 120.500 -0.046 0.000 2.276 61 R HA 0.173 4.513 4.340 -0.000 0.000 0.196 61 R C 0.060 176.352 176.300 -0.014 0.000 0.961 61 R CA -0.113 55.974 56.100 -0.021 0.000 1.024 61 R CB 0.375 30.681 30.300 0.010 0.000 0.940 61 R HN -0.079 nan 8.270 nan 0.000 0.480 62 R N 0.983 121.471 120.500 -0.020 0.000 3.333 62 R HA -0.135 4.205 4.340 -0.000 0.000 0.256 62 R C -0.514 175.780 176.300 -0.010 0.000 1.010 62 R CA 1.371 57.462 56.100 -0.016 0.000 0.680 62 R CB -2.903 27.386 30.300 -0.019 0.000 1.102 62 R HN 0.460 nan 8.270 nan 0.000 0.440 63 T N -2.633 111.918 114.554 -0.005 0.000 2.910 63 T HA 0.732 5.082 4.350 -0.000 0.000 0.287 63 T C -0.044 174.657 174.700 0.002 0.000 1.050 63 T CA -0.936 61.161 62.100 -0.005 0.000 1.011 63 T CB 3.036 71.902 68.868 -0.002 0.000 1.195 63 T HN 0.317 nan 8.240 nan 0.000 0.540 64 E N -0.465 119.738 120.200 0.005 0.000 2.367 64 E HA 0.612 4.962 4.350 -0.000 0.000 0.273 64 E C -1.564 175.047 176.600 0.019 0.000 0.903 64 E CA -1.105 55.303 56.400 0.012 0.000 0.764 64 E CB 2.031 31.738 29.700 0.011 0.000 1.252 64 E HN 0.503 nan 8.360 nan 0.000 0.446 65 T N 2.267 116.836 114.554 0.025 0.000 2.812 65 T HA 0.573 4.923 4.350 -0.000 0.000 0.282 65 T C -0.281 174.435 174.700 0.028 0.000 0.990 65 T CA -0.593 61.527 62.100 0.034 0.000 0.960 65 T CB 0.337 69.232 68.868 0.046 0.000 0.948 65 T HN 0.511 nan 8.240 nan 0.000 0.438 66 I N -0.179 120.406 120.570 0.025 0.000 2.934 66 I HA 0.975 5.145 4.170 -0.000 0.000 0.306 66 I C -0.631 175.481 176.117 -0.009 0.000 1.110 66 I CA -1.708 59.599 61.300 0.011 0.000 1.019 66 I CB 2.054 40.063 38.000 0.015 0.000 1.227 66 I HN 0.593 nan 8.210 nan 0.000 0.434 67 A N 3.614 126.418 122.820 -0.026 0.000 2.276 67 A HA 0.818 5.138 4.320 -0.000 0.000 0.316 67 A C -0.270 177.270 177.584 -0.074 0.000 1.229 67 A CA -0.458 51.547 52.037 -0.054 0.000 0.851 67 A CB 0.974 19.947 19.000 -0.045 0.000 1.165 67 A HN 1.189 nan 8.150 nan 0.000 0.513 68 V N 0.364 120.214 119.914 -0.106 0.000 3.141 68 V HA 0.866 4.986 4.120 -0.000 0.000 0.312 68 V C -0.420 175.623 176.094 -0.085 0.000 1.157 68 V CA -1.166 61.055 62.300 -0.132 0.000 1.041 68 V CB 1.853 33.527 31.823 -0.248 0.000 1.071 68 V HN 0.989 nan 8.190 nan 0.000 0.441 69 R N 0.612 121.065 120.500 -0.078 0.000 2.513 69 R HA 0.704 5.044 4.340 -0.000 0.000 0.301 69 R C -1.035 175.251 176.300 -0.023 0.000 0.968 69 R CA -0.160 55.929 56.100 -0.018 0.000 0.872 69 R CB 2.032 32.312 30.300 -0.033 0.000 1.177 69 R HN 1.003 nan 8.270 nan 0.000 0.444 70 T N 3.363 117.954 114.554 0.063 0.000 2.797 70 T HA 0.468 4.818 4.350 -0.000 0.000 0.279 70 T C -0.996 173.682 174.700 -0.036 0.000 0.991 70 T CA -0.476 61.644 62.100 0.033 0.000 0.979 70 T CB 1.608 70.582 68.868 0.178 0.000 0.943 70 T HN 0.236 nan 8.240 nan 0.000 0.444 71 V N 4.335 124.227 119.914 -0.036 0.000 2.656 71 V HA 0.544 4.664 4.120 -0.000 0.000 0.307 71 V C -0.548 175.525 176.094 -0.034 0.000 1.051 71 V CA -0.863 61.409 62.300 -0.048 0.000 0.893 71 V CB 1.971 33.772 31.823 -0.036 0.000 0.999 71 V HN 0.796 nan 8.190 nan 0.000 0.426 72 I N 2.902 123.446 120.570 -0.044 0.000 2.362 72 I HA 0.420 4.590 4.170 -0.000 0.000 0.289 72 I C 1.452 177.556 176.117 -0.020 0.000 0.994 72 I CA -0.129 61.155 61.300 -0.025 0.000 1.158 72 I CB 1.928 39.908 38.000 -0.033 0.000 1.315 72 I HN 0.758 nan 8.210 nan 0.000 0.451 73 G N 3.512 112.306 108.800 -0.009 0.000 2.403 73 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.216 73 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.216 73 G C 0.587 175.484 174.900 -0.005 0.000 1.154 73 G CA 0.499 45.595 45.100 -0.007 0.000 0.784 73 G HN 0.509 nan 8.290 nan 0.000 0.538 74 S N -1.216 114.484 115.700 -0.001 0.000 2.614 74 S HA 0.404 4.873 4.470 -0.000 0.000 0.275 74 S C 0.716 175.319 174.600 0.005 0.000 1.161 74 S CA -0.756 57.445 58.200 0.002 0.000 0.969 74 S CB 1.132 64.336 63.200 0.006 0.000 1.059 74 S HN 0.055 nan 8.310 nan 0.000 0.482 75 L N 2.858 124.083 121.223 0.004 0.000 2.362 75 L HA 0.041 4.381 4.340 -0.000 0.000 0.219 75 L C 1.384 178.266 176.870 0.020 0.000 1.134 75 L CA 0.648 55.493 54.840 0.009 0.000 0.807 75 L CB -0.266 41.797 42.059 0.006 0.000 0.927 75 L HN 0.610 nan 8.230 nan 0.000 0.447 76 D N -0.298 120.114 120.400 0.020 0.000 2.264 76 D HA -0.067 4.573 4.640 -0.000 0.000 0.208 76 D C 0.503 176.820 176.300 0.029 0.000 0.966 76 D CA 0.783 54.798 54.000 0.026 0.000 0.864 76 D CB -0.137 40.676 40.800 0.022 0.000 0.933 76 D HN 0.274 nan 8.370 nan 0.000 0.499 77 D N 0.012 120.427 120.400 0.025 0.000 2.362 77 D HA 0.057 4.696 4.640 -0.000 0.000 0.242 77 D C 0.131 176.452 176.300 0.034 0.000 1.132 77 D CA -0.338 53.679 54.000 0.028 0.000 0.907 77 D CB 1.569 42.383 40.800 0.023 0.000 1.195 77 D HN -0.222 nan 8.370 nan 0.000 0.429 78 V N 1.245 121.182 119.914 0.038 0.000 2.924 78 V HA 0.352 4.472 4.120 -0.000 0.000 0.305 78 V C 0.124 176.243 176.094 0.041 0.000 1.073 78 V CA -0.560 61.767 62.300 0.045 0.000 1.098 78 V CB 1.044 32.896 31.823 0.048 0.000 1.000 78 V HN 0.688 nan 8.190 nan 0.000 0.484 79 A N 4.912 127.757 122.820 0.042 0.000 2.565 79 A HA 0.469 4.789 4.320 -0.000 0.000 0.237 79 A C 1.233 178.842 177.584 0.042 0.000 1.053 79 A CA 0.564 52.625 52.037 0.040 0.000 0.755 79 A CB 0.244 19.262 19.000 0.031 0.000 0.980 79 A HN 1.719 nan 8.150 nan 0.000 0.506 80 A N 1.914 124.765 122.820 0.052 0.000 2.044 80 A HA 0.412 4.732 4.320 -0.000 0.000 0.213 80 A C 0.537 178.155 177.584 0.056 0.000 1.169 80 A CA 1.439 53.508 52.037 0.053 0.000 0.724 80 A CB -0.225 18.809 19.000 0.058 0.000 0.840 80 A HN 1.051 nan 8.150 nan 0.000 0.463 81 D N -4.910 115.531 120.400 0.068 0.000 2.792 81 D HA 0.295 4.935 4.640 -0.000 0.000 0.335 81 D C -2.863 173.464 176.300 0.044 0.000 1.353 81 D CA -0.972 53.061 54.000 0.055 0.000 0.839 81 D CB 0.132 40.998 40.800 0.110 0.000 1.396 81 D HN -0.217 nan 8.370 nan 0.000 0.479 82 P HA -0.028 nan 4.420 nan 0.000 0.221 82 P C 0.785 178.164 177.300 0.133 0.000 1.150 82 P CA 1.102 64.203 63.100 0.001 0.000 0.800 82 P CB -0.091 31.542 31.700 -0.112 0.000 0.787 83 Y N -0.095 120.317 120.300 0.187 0.000 2.145 83 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 83 Y C 2.429 178.501 175.900 0.286 0.000 1.145 83 Y CA 1.419 59.674 58.100 0.259 0.000 1.148 83 Y CB -1.390 37.184 38.460 0.190 0.000 0.981 83 Y HN 0.012 nan 8.280 nan 0.000 0.507 84 D N 0.308 120.899 120.400 0.319 0.000 2.104 84 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 84 D C 2.267 178.641 176.300 0.123 0.000 0.994 84 D CA 1.468 55.564 54.000 0.161 0.000 0.830 84 D CB -0.255 40.616 40.800 0.119 0.000 0.959 84 D HN 0.274 nan 8.370 nan 0.000 0.452 85 A N -0.317 122.574 122.820 0.119 0.000 1.873 85 A HA -0.228 4.091 4.320 -0.000 0.000 0.218 85 A C 2.344 179.955 177.584 0.044 0.000 1.193 85 A CA 1.607 53.665 52.037 0.035 0.000 0.629 85 A CB -1.388 17.577 19.000 -0.057 0.000 0.826 85 A HN 0.405 nan 8.150 nan 0.000 0.447 86 Y N -1.107 119.277 120.300 0.141 0.000 2.224 86 Y HA -0.139 4.411 4.550 -0.000 0.000 0.289 86 Y C 2.253 178.360 175.900 0.345 0.000 1.146 86 Y CA 1.334 59.600 58.100 0.277 0.000 1.182 86 Y CB -0.291 38.387 38.460 0.363 0.000 0.983 86 Y HN 0.340 nan 8.280 nan 0.000 0.524 87 L N 0.559 121.930 121.223 0.245 0.000 2.012 87 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 87 L C 2.223 179.050 176.870 -0.072 0.000 1.073 87 L CA 1.755 56.391 54.840 -0.340 0.000 0.748 87 L CB -0.663 41.044 42.059 -0.588 0.000 0.891 87 L HN 0.063 nan 8.230 nan 0.000 0.431 88 R N -0.887 119.615 120.500 0.004 0.000 2.083 88 R HA -0.159 4.181 4.340 -0.000 0.000 0.237 88 R C 2.274 178.620 176.300 0.077 0.000 1.137 88 R CA 1.886 58.003 56.100 0.027 0.000 0.951 88 R CB -0.580 29.737 30.300 0.029 0.000 0.851 88 R HN 0.382 nan 8.270 nan 0.000 0.434 89 L N -0.826 120.455 121.223 0.097 0.000 2.141 89 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 89 L C 2.144 179.093 176.870 0.131 0.000 1.094 89 L CA 1.255 56.145 54.840 0.083 0.000 0.763 89 L CB -0.468 41.581 42.059 -0.018 0.000 0.908 89 L HN 0.247 nan 8.230 nan 0.000 0.437 90 H N -0.211 118.932 119.070 0.122 0.000 2.357 90 H HA -0.106 4.450 4.556 -0.000 0.000 0.301 90 H C 2.262 177.701 175.328 0.186 0.000 1.082 90 H CA 1.389 57.573 56.048 0.227 0.000 1.342 90 H CB -0.168 29.731 29.762 0.229 0.000 1.389 90 H HN 0.148 nan 8.280 nan 0.000 0.511 91 L N -0.321 121.005 121.223 0.172 0.000 2.042 91 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 91 L C 2.155 179.116 176.870 0.152 0.000 1.076 91 L CA 0.998 55.899 54.840 0.101 0.000 0.749 91 L CB -0.493 41.583 42.059 0.028 0.000 0.893 91 L HN 0.235 nan 8.230 nan 0.000 0.432 92 L N -1.033 120.274 121.223 0.141 0.000 1.994 92 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 92 L C 2.662 179.631 176.870 0.164 0.000 1.071 92 L CA 1.330 56.265 54.840 0.158 0.000 0.745 92 L CB -0.458 41.667 42.059 0.111 0.000 0.892 92 L HN 0.137 nan 8.230 nan 0.000 0.431 93 S N -2.023 113.750 115.700 0.121 0.000 2.453 93 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 93 S C 1.680 176.285 174.600 0.008 0.000 1.005 93 S CA 0.472 58.693 58.200 0.036 0.000 0.949 93 S CB -0.333 62.864 63.200 -0.004 0.000 0.774 93 S HN 0.432 nan 8.310 nan 0.000 0.510 94 H N 0.763 119.855 119.070 0.036 0.000 2.555 94 H HA 0.195 4.751 4.556 -0.000 0.000 0.269 94 H C 0.559 175.886 175.328 -0.002 0.000 0.988 94 H CA 0.442 56.510 56.048 0.034 0.000 1.178 94 H CB 0.189 29.999 29.762 0.081 0.000 1.373 94 H HN 0.266 nan 8.280 nan 0.000 0.588 95 R N -0.933 119.624 120.500 0.095 0.000 3.963 95 R HA -0.182 4.158 4.340 -0.000 0.000 0.394 95 R C 1.139 177.526 176.300 0.145 0.000 1.131 95 R CA 0.410 56.541 56.100 0.051 0.000 1.059 95 R CB -1.919 28.293 30.300 -0.147 0.000 1.614 95 R HN 0.272 nan 8.270 nan 0.000 0.546 96 L N -0.034 121.277 121.223 0.146 0.000 2.217 96 L HA 0.009 4.349 4.340 -0.000 0.000 0.211 96 L C 0.764 177.690 176.870 0.092 0.000 1.107 96 L CA 0.932 55.832 54.840 0.100 0.000 0.783 96 L CB 0.196 42.293 42.059 0.064 0.000 0.919 96 L HN -0.058 nan 8.230 nan 0.000 0.442 97 V N -0.433 119.553 119.914 0.119 0.000 2.638 97 V HA 0.583 4.702 4.120 -0.000 0.000 0.306 97 V C 0.146 176.290 176.094 0.083 0.000 1.052 97 V CA -0.990 61.357 62.300 0.079 0.000 0.885 97 V CB 1.655 33.508 31.823 0.049 0.000 0.999 97 V HN 0.102 nan 8.190 nan 0.000 0.424 98 A N 6.489 129.288 122.820 -0.035 0.000 2.313 98 A HA 0.747 5.067 4.320 -0.000 0.000 0.261 98 A C -2.506 174.936 177.584 -0.236 0.000 1.090 98 A CA -1.372 50.475 52.037 -0.317 0.000 0.807 98 A CB -0.119 18.721 19.000 -0.267 0.000 1.055 98 A HN 0.651 nan 8.150 nan 0.000 0.492 99 P HA 0.093 nan 4.420 nan 0.000 0.266 99 P C -0.204 176.983 177.300 -0.189 0.000 1.195 99 P CA 0.860 63.786 63.100 -0.289 0.000 0.768 99 P CB 0.057 31.564 31.700 -0.322 0.000 0.838 100 H N 0.329 119.370 119.070 -0.049 0.000 3.641 100 H HA -0.152 4.403 4.556 -0.000 0.000 0.193 100 H C 1.349 176.664 175.328 -0.021 0.000 1.013 100 H CA 1.257 57.289 56.048 -0.027 0.000 1.212 100 H CB -2.129 27.612 29.762 -0.035 0.000 1.089 100 H HN 0.673 nan 8.280 nan 0.000 0.339 101 G N 0.435 109.253 108.800 0.029 0.000 2.920 101 G HA2 0.352 4.312 3.960 -0.000 0.000 0.208 101 G HA3 0.352 4.312 3.960 -0.000 0.000 0.208 101 G C 0.613 175.529 174.900 0.026 0.000 1.159 101 G CA 0.786 45.901 45.100 0.024 0.000 0.784 101 G HN 0.316 nan 8.290 nan 0.000 0.535 102 L N -4.173 117.068 121.223 0.029 0.000 2.568 102 L HA 0.562 4.902 4.340 -0.000 0.000 0.257 102 L C -1.107 175.792 176.870 0.048 0.000 1.024 102 L CA -1.827 53.033 54.840 0.033 0.000 0.854 102 L CB 0.938 43.012 42.059 0.025 0.000 1.460 102 L HN -0.228 nan 8.230 nan 0.000 0.409 103 N N 1.018 119.749 118.700 0.051 0.000 2.416 103 N HA 0.430 5.170 4.740 -0.000 0.000 0.265 103 N C 0.210 175.766 175.510 0.076 0.000 1.195 103 N CA 0.689 53.779 53.050 0.067 0.000 0.943 103 N CB 1.528 40.050 38.487 0.058 0.000 1.115 103 N HN 0.935 nan 8.380 nan 0.000 0.481 104 A N 2.618 125.498 122.820 0.100 0.000 2.465 104 A HA 0.342 4.662 4.320 -0.000 0.000 0.255 104 A C 1.016 178.711 177.584 0.185 0.000 1.274 104 A CA -0.201 51.923 52.037 0.146 0.000 0.920 104 A CB -0.280 18.830 19.000 0.184 0.000 1.033 104 A HN 0.586 nan 8.150 nan 0.000 0.516 105 G N -1.797 107.087 108.800 0.141 0.000 2.544 105 G HA2 0.454 4.413 3.960 -0.000 0.000 0.242 105 G HA3 0.454 4.413 3.960 -0.000 0.000 0.242 105 G C 1.165 176.144 174.900 0.132 0.000 1.247 105 G CA 0.267 45.452 45.100 0.141 0.000 0.840 105 G HN 1.472 nan 8.290 nan 0.000 0.578 106 G N 0.283 109.173 108.800 0.149 0.000 2.162 106 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 106 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 106 G C 1.279 176.256 174.900 0.127 0.000 0.976 106 G CA 0.644 45.825 45.100 0.134 0.000 0.655 106 G HN 0.660 nan 8.290 nan 0.000 0.533 107 L N -1.061 120.239 121.223 0.128 0.000 2.046 107 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 107 L C 2.478 179.351 176.870 0.005 0.000 1.077 107 L CA 1.869 56.719 54.840 0.017 0.000 0.747 107 L CB -0.571 41.446 42.059 -0.071 0.000 0.896 107 L HN 0.317 nan 8.230 nan 0.000 0.432 108 F N 1.225 121.190 119.950 0.026 0.000 2.161 108 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 108 F C 2.171 177.967 175.800 -0.007 0.000 1.089 108 F CA 1.632 59.653 58.000 0.036 0.000 1.282 108 F CB -0.356 38.727 39.000 0.138 0.000 1.010 108 F HN -0.017 nan 8.300 nan 0.000 0.485 109 G N -0.792 108.118 108.800 0.184 0.000 2.421 109 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.217 109 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.217 109 G C 1.567 176.436 174.900 -0.053 0.000 1.143 109 G CA 0.933 46.081 45.100 0.080 0.000 0.784 109 G HN 0.345 nan 8.290 nan 0.000 0.541 110 V N 0.515 120.392 119.914 -0.061 0.000 2.825 110 V HA 0.266 4.386 4.120 -0.000 0.000 0.246 110 V C 1.336 177.347 176.094 -0.137 0.000 1.068 110 V CA 0.148 62.403 62.300 -0.075 0.000 1.088 110 V CB -0.100 31.700 31.823 -0.039 0.000 0.733 110 V HN 0.159 nan 8.190 nan 0.000 0.468 111 L N 0.693 121.783 121.223 -0.222 0.000 2.397 111 L HA 0.206 4.546 4.340 -0.000 0.000 0.271 111 L C 0.513 177.237 176.870 -0.242 0.000 1.148 111 L CA 0.159 54.843 54.840 -0.259 0.000 0.825 111 L CB 0.901 42.673 42.059 -0.479 0.000 1.117 111 L HN 0.143 nan 8.230 nan 0.000 0.456 112 T N 1.863 116.323 114.554 -0.157 0.000 2.869 112 T HA 0.064 4.414 4.350 -0.000 0.000 0.295 112 T C 0.186 174.789 174.700 -0.162 0.000 0.987 112 T CA -0.438 61.567 62.100 -0.159 0.000 1.109 112 T CB 0.512 69.302 68.868 -0.130 0.000 0.932 112 T HN 0.403 nan 8.240 nan 0.000 0.518 113 N N 2.402 120.995 118.700 -0.178 0.000 2.452 113 N HA 0.212 4.952 4.740 -0.000 0.000 0.266 113 N C -1.074 174.313 175.510 -0.205 0.000 1.175 113 N CA 0.023 52.986 53.050 -0.143 0.000 0.945 113 N CB 0.343 38.757 38.487 -0.123 0.000 1.063 113 N HN 0.300 nan 8.380 nan 0.000 0.472 114 V N 3.597 123.340 119.914 -0.285 0.000 2.604 114 V HA 0.324 4.444 4.120 -0.000 0.000 0.305 114 V C -0.267 175.389 176.094 -0.730 0.000 1.043 114 V CA -1.004 60.901 62.300 -0.658 0.000 0.888 114 V CB 1.994 33.064 31.823 -1.256 0.000 0.995 114 V HN 0.359 nan 8.190 nan 0.000 0.429 115 V N 3.459 122.979 119.914 -0.658 0.000 2.372 115 V HA 0.204 4.324 4.120 -0.000 0.000 0.261 115 V C -0.588 175.185 176.094 -0.535 0.000 1.055 115 V CA -0.424 61.518 62.300 -0.597 0.000 0.930 115 V CB -0.033 31.253 31.823 -0.895 0.000 1.031 115 V HN 0.858 nan 8.190 nan 0.000 0.479 116 W N 3.990 125.265 121.300 -0.042 0.000 2.358 116 W HA 0.553 5.213 4.660 -0.000 0.000 0.307 116 W C 0.834 177.376 176.519 0.037 0.000 1.203 116 W CA -0.358 57.033 57.345 0.077 0.000 1.279 116 W CB 0.906 30.477 29.460 0.185 0.000 1.264 116 W HN 0.646 nan 8.180 nan 0.000 0.474 117 T N -0.951 113.725 114.554 0.203 0.000 2.888 117 T HA 0.228 4.578 4.350 -0.000 0.000 0.288 117 T C 0.876 175.572 174.700 -0.006 0.000 1.063 117 T CA -0.965 61.122 62.100 -0.022 0.000 1.010 117 T CB 1.357 70.292 68.868 0.111 0.000 1.214 117 T HN 0.446 nan 8.240 nan 0.000 0.533 118 N N -0.104 118.455 118.700 -0.236 0.000 2.571 118 N HA -0.088 4.652 4.740 -0.000 0.000 0.189 118 N C 0.677 176.058 175.510 -0.214 0.000 1.154 118 N CA 0.534 53.522 53.050 -0.104 0.000 0.907 118 N CB -0.582 37.785 38.487 -0.199 0.000 0.977 118 N HN 0.736 nan 8.380 nan 0.000 0.449 119 H N -0.725 118.381 119.070 0.060 0.000 2.672 119 H HA 0.366 4.922 4.556 -0.000 0.000 0.277 119 H C 0.940 176.313 175.328 0.074 0.000 1.074 119 H CA 0.458 56.541 56.048 0.059 0.000 1.173 119 H CB 0.772 30.559 29.762 0.041 0.000 1.558 119 H HN 0.409 nan 8.280 nan 0.000 0.539 120 G N 1.731 110.646 108.800 0.191 0.000 2.479 120 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 120 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 120 G C -3.040 171.957 174.900 0.162 0.000 1.295 120 G CA -1.329 43.876 45.100 0.175 0.000 0.922 120 G HN -0.095 nan 8.290 nan 0.000 0.582 121 P HA 0.463 nan 4.420 nan 0.000 0.266 121 P C -0.062 177.165 177.300 -0.122 0.000 1.195 121 P CA -0.118 62.921 63.100 -0.101 0.000 0.768 121 P CB 0.710 32.334 31.700 -0.128 0.000 0.838 122 C N 1.967 121.128 119.300 -0.232 0.000 2.898 122 C HA 0.753 5.213 4.460 -0.000 0.000 0.304 122 C C 0.523 175.390 174.990 -0.205 0.000 1.237 122 C CA -0.538 58.415 59.018 -0.109 0.000 1.529 122 C CB 1.679 29.478 27.740 0.099 0.000 2.021 122 C HN 0.655 nan 8.230 nan 0.000 0.474 123 A N 1.848 124.610 122.820 -0.097 0.000 2.366 123 A HA 0.519 4.839 4.320 -0.000 0.000 0.249 123 A C 1.150 178.686 177.584 -0.080 0.000 1.084 123 A CA -0.152 51.820 52.037 -0.108 0.000 0.794 123 A CB 0.156 19.123 19.000 -0.056 0.000 1.034 123 A HN 0.787 nan 8.150 nan 0.000 0.491 124 I N 0.227 120.735 120.570 -0.103 0.000 2.286 124 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 124 I C 0.244 176.382 176.117 0.036 0.000 1.104 124 I CA 0.921 62.185 61.300 -0.060 0.000 1.397 124 I CB -1.536 36.423 38.000 -0.068 0.000 1.072 124 I HN 0.631 nan 8.210 nan 0.000 0.417 125 D N 1.448 121.854 120.400 0.009 0.000 2.487 125 D HA 0.301 4.941 4.640 -0.000 0.000 0.243 125 D C 1.294 177.621 176.300 0.046 0.000 1.154 125 D CA 1.011 55.024 54.000 0.020 0.000 0.876 125 D CB 0.221 41.019 40.800 -0.004 0.000 1.161 125 D HN 0.429 nan 8.370 nan 0.000 0.478 126 G N 1.809 110.633 108.800 0.039 0.000 2.168 126 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.257 126 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.257 126 G C 0.667 175.580 174.900 0.022 0.000 0.997 126 G CA 0.323 45.432 45.100 0.016 0.000 0.708 126 G HN 0.560 nan 8.290 nan 0.000 0.520 127 F N 0.921 120.843 119.950 -0.047 0.000 2.161 127 F HA -0.062 4.465 4.527 -0.000 0.000 0.300 127 F C 2.465 178.239 175.800 -0.044 0.000 1.089 127 F CA 2.107 60.077 58.000 -0.050 0.000 1.282 127 F CB 0.190 39.159 39.000 -0.053 0.000 1.010 127 F HN 0.238 nan 8.300 nan 0.000 0.485 128 E N 0.514 120.630 120.200 -0.140 0.000 2.110 128 E HA -0.184 4.165 4.350 -0.000 0.000 0.193 128 E C 2.355 178.806 176.600 -0.249 0.000 0.988 128 E CA 1.113 57.389 56.400 -0.207 0.000 0.804 128 E CB -0.831 28.833 29.700 -0.060 0.000 0.745 128 E HN 0.510 nan 8.360 nan 0.000 0.458 129 A N 0.956 123.666 122.820 -0.184 0.000 1.930 129 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 129 A C 2.608 180.059 177.584 -0.222 0.000 1.175 129 A CA 1.047 52.986 52.037 -0.163 0.000 0.627 129 A CB -0.547 18.393 19.000 -0.101 0.000 0.815 129 A HN 0.125 nan 8.150 nan 0.000 0.443 130 V N 0.166 119.904 119.914 -0.293 0.000 2.287 130 V HA -0.282 3.837 4.120 -0.000 0.000 0.248 130 V C 2.660 178.491 176.094 -0.438 0.000 1.053 130 V CA 2.349 64.453 62.300 -0.326 0.000 1.027 130 V CB -0.760 30.900 31.823 -0.271 0.000 0.646 130 V HN 0.656 nan 8.190 nan 0.000 0.447 131 R N 0.021 120.102 120.500 -0.699 0.000 2.096 131 R HA -0.217 4.123 4.340 -0.000 0.000 0.240 131 R C 2.290 178.414 176.300 -0.293 0.000 1.139 131 R CA 1.927 57.696 56.100 -0.551 0.000 0.952 131 R CB -0.490 29.472 30.300 -0.563 0.000 0.854 131 R HN 0.504 nan 8.270 nan 0.000 0.436 132 A N 0.892 123.567 122.820 -0.241 0.000 1.933 132 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 132 A C 2.178 179.674 177.584 -0.146 0.000 1.175 132 A CA 1.277 53.220 52.037 -0.156 0.000 0.628 132 A CB -0.379 18.546 19.000 -0.125 0.000 0.814 132 A HN 0.354 nan 8.150 nan 0.000 0.444 133 R N -0.644 119.756 120.500 -0.167 0.000 2.075 133 R HA 0.028 4.367 4.340 -0.000 0.000 0.232 133 R C 1.985 178.184 176.300 -0.168 0.000 1.126 133 R CA 1.336 57.349 56.100 -0.144 0.000 0.963 133 R CB -0.466 29.754 30.300 -0.133 0.000 0.858 133 R HN 0.486 nan 8.270 nan 0.000 0.435 134 L N 0.261 121.344 121.223 -0.234 0.000 2.201 134 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 134 L C 2.382 179.105 176.870 -0.246 0.000 1.105 134 L CA 1.036 55.671 54.840 -0.342 0.000 0.775 134 L CB -0.300 41.475 42.059 -0.473 0.000 0.913 134 L HN 0.155 nan 8.230 nan 0.000 0.440 135 R N -0.044 120.364 120.500 -0.153 0.000 2.285 135 R HA -0.095 4.245 4.340 -0.000 0.000 0.213 135 R C 2.139 178.406 176.300 -0.055 0.000 1.068 135 R CA 0.572 56.626 56.100 -0.077 0.000 1.004 135 R CB -0.099 30.163 30.300 -0.064 0.000 0.873 135 R HN 0.376 nan 8.270 nan 0.000 0.467 136 R N -0.075 120.382 120.500 -0.073 0.000 2.237 136 R HA -0.052 4.288 4.340 -0.000 0.000 0.219 136 R C 1.705 177.989 176.300 -0.026 0.000 1.080 136 R CA 0.905 56.977 56.100 -0.047 0.000 0.995 136 R CB 0.058 30.326 30.300 -0.053 0.000 0.875 136 R HN 0.167 nan 8.270 nan 0.000 0.462 137 R N -0.327 120.156 120.500 -0.028 0.000 2.280 137 R HA 0.169 4.509 4.340 -0.000 0.000 0.195 137 R C 0.605 176.953 176.300 0.080 0.000 0.935 137 R CA 0.463 56.582 56.100 0.031 0.000 1.033 137 R CB 0.957 31.291 30.300 0.058 0.000 0.964 137 R HN 0.234 nan 8.270 nan 0.000 0.489 138 G N 1.146 109.985 108.800 0.065 0.000 2.334 138 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.315 138 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.315 138 G C -2.948 172.013 174.900 0.101 0.000 1.284 138 G CA -1.308 43.838 45.100 0.077 0.000 0.985 138 G HN -0.175 nan 8.290 nan 0.000 0.504 139 P HA 0.398 nan 4.420 nan 0.000 0.267 139 P C -0.203 177.173 177.300 0.127 0.000 1.200 139 P CA -0.063 63.080 63.100 0.070 0.000 0.772 139 P CB 1.039 32.764 31.700 0.041 0.000 0.855 140 V N 3.262 123.232 119.914 0.093 0.000 2.357 140 V HA 0.268 4.388 4.120 -0.000 0.000 0.284 140 V C 0.339 176.463 176.094 0.050 0.000 1.018 140 V CA -0.095 62.279 62.300 0.123 0.000 0.841 140 V CB 1.249 33.120 31.823 0.080 0.000 0.991 140 V HN 0.527 nan 8.190 nan 0.000 0.437 141 T N 4.592 119.125 114.554 -0.034 0.000 2.779 141 T HA 0.516 4.866 4.350 -0.000 0.000 0.280 141 T C -0.253 174.274 174.700 -0.289 0.000 0.987 141 T CA -0.378 61.631 62.100 -0.152 0.000 0.966 141 T CB 1.704 70.437 68.868 -0.224 0.000 0.933 141 T HN 0.297 nan 8.240 nan 0.000 0.442 142 V N 4.723 124.539 119.914 -0.164 0.000 2.350 142 V HA 0.211 4.330 4.120 -0.000 0.000 0.276 142 V C 0.213 176.249 176.094 -0.097 0.000 1.028 142 V CA -0.439 61.774 62.300 -0.145 0.000 0.860 142 V CB 0.546 32.344 31.823 -0.043 0.000 0.990 142 V HN 0.963 nan 8.190 nan 0.000 0.453 143 Y N 3.451 123.828 120.300 0.128 0.000 2.314 143 Y HA 0.336 4.886 4.550 -0.000 0.000 0.293 143 Y C 1.502 177.481 175.900 0.131 0.000 1.129 143 Y CA 0.646 58.818 58.100 0.119 0.000 1.201 143 Y CB 0.407 38.943 38.460 0.126 0.000 0.999 143 Y HN 0.727 nan 8.280 nan 0.000 0.541 144 G N -1.018 107.977 108.800 0.324 0.000 2.387 144 G HA2 0.424 4.384 3.960 -0.000 0.000 0.294 144 G HA3 0.424 4.384 3.960 -0.000 0.000 0.294 144 G C -2.235 172.852 174.900 0.311 0.000 1.509 144 G CA -0.787 44.485 45.100 0.286 0.000 0.806 144 G HN -0.257 nan 8.290 nan 0.000 0.546 145 V N 1.579 121.623 119.914 0.217 0.000 2.357 145 V HA 0.697 4.817 4.120 -0.000 0.000 0.281 145 V C -0.922 175.289 176.094 0.195 0.000 1.015 145 V CA -0.397 61.969 62.300 0.111 0.000 0.827 145 V CB 1.172 32.992 31.823 -0.005 0.000 1.018 145 V HN 0.863 nan 8.190 nan 0.000 0.432 146 D N 2.339 122.928 120.400 0.315 0.000 2.653 146 D HA 0.354 4.994 4.640 -0.000 0.000 0.258 146 D C 0.386 176.924 176.300 0.398 0.000 1.252 146 D CA -0.652 53.561 54.000 0.354 0.000 0.777 146 D CB 2.319 43.358 40.800 0.399 0.000 1.339 146 D HN 0.233 nan 8.370 nan 0.000 0.422 147 K N -0.000 120.536 120.400 0.227 0.000 2.365 147 K HA 0.190 4.510 4.320 -0.000 0.000 0.197 147 K C -0.011 176.491 176.600 -0.164 0.000 1.042 147 K CA 0.634 56.898 56.287 -0.038 0.000 0.987 147 K CB 0.249 32.551 32.500 -0.330 0.000 0.779 147 K HN 0.167 nan 8.250 nan 0.000 0.484 148 F N 1.565 121.614 119.950 0.166 0.000 2.467 148 F HA 0.314 4.841 4.527 -0.000 0.000 0.336 148 F C -1.987 173.727 175.800 -0.144 0.000 1.123 148 F CA -2.709 55.284 58.000 -0.012 0.000 0.964 148 F CB 1.419 40.403 39.000 -0.028 0.000 1.136 148 F HN -0.136 nan 8.300 nan 0.000 0.447 149 P HA 0.387 nan 4.420 nan 0.000 0.321 149 P C -1.018 176.128 177.300 -0.257 0.000 1.304 149 P CA -0.813 61.864 63.100 -0.706 0.000 0.759 149 P CB 1.041 32.103 31.700 -1.063 0.000 1.385 150 R N -0.008 120.360 120.500 -0.220 0.000 2.298 150 R HA 0.274 4.614 4.340 -0.000 0.000 0.310 150 R C 1.636 177.955 176.300 0.030 0.000 1.068 150 R CA -0.260 55.790 56.100 -0.084 0.000 0.957 150 R CB 0.275 30.495 30.300 -0.134 0.000 1.003 150 R HN 0.491 nan 8.270 nan 0.000 0.454 151 M N 3.393 122.997 119.600 0.007 0.000 2.088 151 M HA -0.224 4.256 4.480 -0.000 0.000 0.256 151 M C 1.671 178.013 176.300 0.070 0.000 1.071 151 M CA 2.214 57.533 55.300 0.033 0.000 1.097 151 M CB 0.012 32.594 32.600 -0.031 0.000 1.315 151 M HN 0.592 nan 8.290 nan 0.000 0.406 152 V N -2.669 117.235 119.914 -0.017 0.000 3.078 152 V HA -0.147 3.973 4.120 -0.000 0.000 0.265 152 V C 0.932 176.964 176.094 -0.104 0.000 1.122 152 V CA 1.759 64.023 62.300 -0.059 0.000 1.141 152 V CB -1.143 30.625 31.823 -0.091 0.000 0.735 152 V HN 0.361 nan 8.190 nan 0.000 0.498 153 D N -0.963 119.362 120.400 -0.125 0.000 2.349 153 D HA 0.081 4.721 4.640 -0.000 0.000 0.224 153 D C 1.358 177.218 176.300 -0.734 0.000 1.029 153 D CA 0.924 54.694 54.000 -0.384 0.000 0.879 153 D CB 0.145 40.705 40.800 -0.400 0.000 0.906 153 D HN 0.685 nan 8.370 nan 0.000 0.528 154 Y N -1.005 119.238 120.300 -0.095 0.000 2.664 154 Y HA 0.252 4.802 4.550 -0.000 0.000 0.278 154 Y C 0.601 176.620 175.900 0.197 0.000 1.130 154 Y CA -0.216 57.935 58.100 0.084 0.000 1.260 154 Y CB 1.184 39.711 38.460 0.113 0.000 1.369 154 Y HN -0.246 nan 8.280 nan 0.000 0.499 155 V N 0.619 120.632 119.914 0.165 0.000 2.891 155 V HA 0.557 4.677 4.120 -0.000 0.000 0.304 155 V C -1.728 174.334 176.094 -0.053 0.000 1.171 155 V CA -0.933 61.387 62.300 0.032 0.000 0.943 155 V CB 2.097 33.789 31.823 -0.218 0.000 1.037 155 V HN -0.218 nan 8.190 nan 0.000 0.427 156 V N 8.642 128.520 119.914 -0.060 0.000 2.318 156 V HA 0.477 4.596 4.120 -0.000 0.000 0.271 156 V C -1.999 174.040 176.094 -0.093 0.000 1.030 156 V CA -1.275 60.981 62.300 -0.074 0.000 0.844 156 V CB 1.258 33.048 31.823 -0.056 0.000 1.015 156 V HN 0.904 nan 8.190 nan 0.000 0.460 157 P HA 0.299 nan 4.420 nan 0.000 0.275 157 P C 0.138 177.389 177.300 -0.081 0.000 1.228 157 P CA -0.194 62.836 63.100 -0.118 0.000 0.786 157 P CB 0.367 31.983 31.700 -0.139 0.000 0.927 158 T N -2.356 112.160 114.554 -0.064 0.000 2.828 158 T HA 0.423 4.773 4.350 -0.000 0.000 0.290 158 T C 1.131 175.801 174.700 -0.049 0.000 1.019 158 T CA 0.085 62.158 62.100 -0.045 0.000 1.031 158 T CB 0.230 69.081 68.868 -0.029 0.000 1.001 158 T HN 0.838 nan 8.240 nan 0.000 0.531 159 G N -0.182 108.596 108.800 -0.038 0.000 2.160 159 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.251 159 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.251 159 G C -0.065 174.810 174.900 -0.041 0.000 1.008 159 G CA 0.089 45.169 45.100 -0.035 0.000 0.724 159 G HN 1.037 nan 8.290 nan 0.000 0.514 160 V N 0.026 119.911 119.914 -0.049 0.000 2.735 160 V HA 0.726 4.846 4.120 -0.000 0.000 0.310 160 V C 0.316 176.379 176.094 -0.053 0.000 1.061 160 V CA -1.021 61.246 62.300 -0.055 0.000 0.913 160 V CB 1.964 33.744 31.823 -0.072 0.000 1.005 160 V HN 0.373 nan 8.190 nan 0.000 0.428 161 R N 3.744 124.212 120.500 -0.053 0.000 2.637 161 R HA 0.763 5.103 4.340 -0.000 0.000 0.291 161 R C -1.396 174.860 176.300 -0.072 0.000 0.963 161 R CA -0.713 55.352 56.100 -0.058 0.000 0.901 161 R CB 2.375 32.646 30.300 -0.048 0.000 1.160 161 R HN 0.576 nan 8.270 nan 0.000 0.457 162 I N 1.974 122.491 120.570 -0.088 0.000 2.517 162 I HA 0.185 4.355 4.170 -0.000 0.000 0.280 162 I C 0.758 176.786 176.117 -0.148 0.000 1.061 162 I CA -0.239 60.998 61.300 -0.106 0.000 1.091 162 I CB 1.970 39.913 38.000 -0.093 0.000 1.205 162 I HN 0.802 nan 8.210 nan 0.000 0.459 163 A N 3.741 126.427 122.820 -0.224 0.000 1.933 163 A HA -0.117 4.202 4.320 -0.000 0.000 0.218 163 A C 0.858 178.211 177.584 -0.385 0.000 1.175 163 A CA 1.599 53.394 52.037 -0.404 0.000 0.628 163 A CB -0.100 18.426 19.000 -0.790 0.000 0.814 163 A HN 0.687 nan 8.150 nan 0.000 0.444 164 D N -1.829 118.406 120.400 -0.275 0.000 2.402 164 D HA 0.542 5.182 4.640 -0.000 0.000 0.252 164 D C 0.257 176.510 176.300 -0.078 0.000 1.294 164 D CA 0.195 54.113 54.000 -0.135 0.000 0.948 164 D CB 1.146 41.908 40.800 -0.063 0.000 1.202 164 D HN 0.059 nan 8.370 nan 0.000 0.561 165 A N 3.241 126.013 122.820 -0.080 0.000 2.235 165 A HA -0.011 4.309 4.320 -0.000 0.000 0.208 165 A C 1.343 178.895 177.584 -0.054 0.000 1.172 165 A CA 0.342 52.334 52.037 -0.074 0.000 0.786 165 A CB -0.000 18.943 19.000 -0.095 0.000 0.804 165 A HN 0.459 nan 8.150 nan 0.000 0.479 166 D N 0.200 120.579 120.400 -0.036 0.000 2.310 166 D HA -0.076 4.564 4.640 -0.000 0.000 0.212 166 D C 1.442 177.777 176.300 0.057 0.000 0.965 166 D CA 0.694 54.691 54.000 -0.006 0.000 0.879 166 D CB -0.033 40.775 40.800 0.013 0.000 0.921 166 D HN 0.293 nan 8.370 nan 0.000 0.510 167 R N 0.248 120.795 120.500 0.080 0.000 2.388 167 R HA 0.184 4.523 4.340 -0.000 0.000 0.247 167 R C -0.294 176.128 176.300 0.202 0.000 0.931 167 R CA -0.017 56.211 56.100 0.214 0.000 1.082 167 R CB 1.040 31.443 30.300 0.172 0.000 1.135 167 R HN -0.016 nan 8.270 nan 0.000 0.525 168 V N 1.731 121.682 119.914 0.063 0.000 2.447 168 V HA 0.312 4.432 4.120 -0.000 0.000 0.292 168 V C 0.276 176.352 176.094 -0.030 0.000 1.021 168 V CA -0.885 61.386 62.300 -0.049 0.000 0.850 168 V CB 2.191 33.966 31.823 -0.080 0.000 1.005 168 V HN 0.080 nan 8.190 nan 0.000 0.426 169 R N 2.310 122.786 120.500 -0.041 0.000 2.594 169 R HA 0.351 4.691 4.340 -0.000 0.000 0.272 169 R C -0.133 176.155 176.300 -0.020 0.000 1.074 169 R CA -0.651 55.451 56.100 0.002 0.000 1.105 169 R CB 0.770 31.078 30.300 0.015 0.000 1.008 169 R HN 0.594 nan 8.270 nan 0.000 0.472 170 L N 1.886 123.098 121.223 -0.019 0.000 2.525 170 L HA 0.089 4.429 4.340 -0.000 0.000 0.278 170 L C 1.104 177.970 176.870 -0.006 0.000 1.218 170 L CA 2.077 56.877 54.840 -0.066 0.000 0.878 170 L CB 0.618 42.547 42.059 -0.215 0.000 1.127 170 L HN 0.921 nan 8.230 nan 0.000 0.492 171 G N 2.589 111.386 108.800 -0.005 0.000 2.218 171 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.216 171 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.216 171 G C 0.353 175.279 174.900 0.043 0.000 0.994 171 G CA 0.060 45.198 45.100 0.064 0.000 0.637 171 G HN 1.237 nan 8.290 nan 0.000 0.505 172 A N 0.914 123.724 122.820 -0.016 0.000 2.425 172 A HA 0.555 4.875 4.320 -0.000 0.000 0.249 172 A C 0.148 177.739 177.584 0.011 0.000 1.084 172 A CA 0.281 52.286 52.037 -0.053 0.000 0.781 172 A CB 0.183 19.111 19.000 -0.120 0.000 1.019 172 A HN 0.837 nan 8.150 nan 0.000 0.490 173 H N 3.169 122.189 119.070 -0.084 0.000 2.595 173 H HA 0.511 5.067 4.556 -0.000 0.000 0.313 173 H C -1.675 173.614 175.328 -0.065 0.000 1.023 173 H CA -0.470 55.543 56.048 -0.058 0.000 1.218 173 H CB 0.610 30.342 29.762 -0.050 0.000 1.403 173 H HN 0.538 nan 8.280 nan 0.000 0.477 174 L N 5.418 126.513 121.223 -0.213 0.000 2.366 174 L HA 0.445 4.785 4.340 -0.000 0.000 0.266 174 L C 0.616 177.371 176.870 -0.192 0.000 1.010 174 L CA -0.788 53.973 54.840 -0.132 0.000 0.879 174 L CB 1.266 43.260 42.059 -0.109 0.000 1.228 174 L HN 0.564 nan 8.230 nan 0.000 0.439 175 A N 4.589 127.338 122.820 -0.118 0.000 2.386 175 A HA 0.520 4.840 4.320 -0.000 0.000 0.246 175 A C -2.299 175.245 177.584 -0.068 0.000 1.089 175 A CA -0.968 51.011 52.037 -0.097 0.000 0.790 175 A CB -0.337 18.681 19.000 0.031 0.000 1.042 175 A HN 0.410 nan 8.150 nan 0.000 0.497 176 P HA 0.256 nan 4.420 nan 0.000 0.265 176 P C 0.890 178.175 177.300 -0.026 0.000 1.193 176 P CA 1.960 65.037 63.100 -0.039 0.000 0.765 176 P CB 0.560 32.245 31.700 -0.026 0.000 0.823 177 G N 1.240 110.024 108.800 -0.027 0.000 2.175 177 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 177 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 177 G C 0.253 175.140 174.900 -0.021 0.000 0.982 177 G CA -0.109 44.980 45.100 -0.019 0.000 0.641 177 G HN 0.589 nan 8.290 nan 0.000 0.527 178 T N 1.940 116.477 114.554 -0.029 0.000 2.832 178 T HA 0.553 4.903 4.350 -0.000 0.000 0.296 178 T C 0.150 174.828 174.700 -0.036 0.000 0.968 178 T CA 0.735 62.817 62.100 -0.031 0.000 1.107 178 T CB 1.441 70.286 68.868 -0.038 0.000 0.916 178 T HN 0.197 nan 8.240 nan 0.000 0.517 179 T N 3.150 117.685 114.554 -0.032 0.000 2.792 179 T HA 0.456 4.806 4.350 -0.000 0.000 0.280 179 T C -0.247 174.430 174.700 -0.038 0.000 0.990 179 T CA -0.551 61.528 62.100 -0.036 0.000 0.960 179 T CB 1.100 69.954 68.868 -0.025 0.000 0.939 179 T HN 0.316 nan 8.240 nan 0.000 0.439 180 V N 5.472 125.354 119.914 -0.053 0.000 2.350 180 V HA 0.380 4.500 4.120 -0.000 0.000 0.276 180 V C 0.317 176.373 176.094 -0.064 0.000 1.028 180 V CA -0.807 61.463 62.300 -0.051 0.000 0.860 180 V CB 0.921 32.707 31.823 -0.062 0.000 0.990 180 V HN 0.792 nan 8.190 nan 0.000 0.453 181 M N 2.554 122.138 119.600 -0.027 0.000 2.154 181 M HA 0.351 4.831 4.480 -0.000 0.000 0.251 181 M C 1.554 177.844 176.300 -0.017 0.000 1.200 181 M CA -0.122 55.169 55.300 -0.016 0.000 0.967 181 M CB -0.028 32.618 32.600 0.077 0.000 1.362 181 M HN 0.691 nan 8.290 nan 0.000 0.522 182 H N -0.402 118.675 119.070 0.012 0.000 2.422 182 H HA -0.126 4.430 4.556 -0.000 0.000 0.298 182 H C 1.464 176.809 175.328 0.028 0.000 1.098 182 H CA 1.635 57.693 56.048 0.017 0.000 1.315 182 H CB -0.033 29.736 29.762 0.011 0.000 1.382 182 H HN 0.508 nan 8.280 nan 0.000 0.523 183 E N 0.884 121.179 120.200 0.158 0.000 2.442 183 E HA 0.097 4.447 4.350 -0.000 0.000 0.195 183 E C 1.035 177.694 176.600 0.098 0.000 1.030 183 E CA 0.217 56.679 56.400 0.103 0.000 0.869 183 E CB -0.113 29.633 29.700 0.076 0.000 0.857 183 E HN 0.434 nan 8.360 nan 0.000 0.505 184 G N 0.394 109.246 108.800 0.087 0.000 2.559 184 G HA2 0.230 4.190 3.960 -0.000 0.000 0.235 184 G HA3 0.230 4.190 3.960 -0.000 0.000 0.235 184 G C -0.828 174.171 174.900 0.164 0.000 1.266 184 G CA -0.087 45.062 45.100 0.082 0.000 0.847 184 G HN 0.164 nan 8.290 nan 0.000 0.583 185 F N 1.521 121.457 119.950 -0.024 0.000 2.596 185 F HA 0.566 5.093 4.527 -0.000 0.000 0.311 185 F C -1.122 174.653 175.800 -0.042 0.000 1.116 185 F CA -1.201 56.781 58.000 -0.031 0.000 0.957 185 F CB 2.020 41.005 39.000 -0.024 0.000 1.250 185 F HN 0.431 nan 8.300 nan 0.000 0.444 186 V N 5.822 125.127 119.914 -1.015 0.000 2.525 186 V HA 0.403 4.523 4.120 -0.000 0.000 0.299 186 V C -0.306 175.129 176.094 -1.098 0.000 1.034 186 V CA -0.871 60.896 62.300 -0.889 0.000 0.863 186 V CB 1.338 32.930 31.823 -0.385 0.000 0.999 186 V HN 0.842 nan 8.190 nan 0.000 0.423 187 N N 1.946 120.057 118.700 -0.983 0.000 2.405 187 N HA 0.334 5.073 4.740 -0.000 0.000 0.269 187 N C -0.466 174.831 175.510 -0.356 0.000 1.249 187 N CA -0.391 52.312 53.050 -0.579 0.000 0.974 187 N CB 0.931 39.170 38.487 -0.414 0.000 1.204 187 N HN 0.678 nan 8.380 nan 0.000 0.565 188 Y N -0.065 120.048 120.300 -0.311 0.000 2.357 188 Y HA 0.195 4.745 4.550 -0.000 0.000 0.340 188 Y C 0.829 176.618 175.900 -0.184 0.000 1.260 188 Y CA -0.860 57.107 58.100 -0.222 0.000 1.425 188 Y CB 0.031 38.361 38.460 -0.216 0.000 1.326 188 Y HN 0.706 nan 8.280 nan 0.000 0.580 189 N N -0.159 118.499 118.700 -0.069 0.000 2.740 189 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 189 N C -1.471 173.856 175.510 -0.306 0.000 1.062 189 N CA 0.919 53.857 53.050 -0.185 0.000 0.704 189 N CB -1.248 37.130 38.487 -0.181 0.000 0.968 189 N HN 1.266 nan 8.380 nan 0.000 0.547 190 A N -1.641 121.046 122.820 -0.223 0.000 2.610 190 A HA 0.918 5.238 4.320 -0.000 0.000 0.291 190 A C 0.682 178.188 177.584 -0.131 0.000 1.086 190 A CA 0.326 52.237 52.037 -0.209 0.000 0.677 190 A CB 1.124 19.961 19.000 -0.271 0.000 1.278 190 A HN 1.333 nan 8.150 nan 0.000 0.414 191 G N -0.814 107.925 108.800 -0.101 0.000 2.247 191 G HA2 0.572 4.532 3.960 -0.000 0.000 0.229 191 G HA3 0.572 4.532 3.960 -0.000 0.000 0.229 191 G C -0.246 174.655 174.900 0.002 0.000 1.345 191 G CA 0.716 45.791 45.100 -0.041 0.000 1.100 191 G HN 2.309 nan 8.290 nan 0.000 0.473 192 T N -0.812 113.790 114.554 0.080 0.000 2.885 192 T HA 0.702 5.052 4.350 -0.000 0.000 0.285 192 T C 1.074 175.868 174.700 0.156 0.000 1.019 192 T CA -0.492 61.651 62.100 0.071 0.000 1.010 192 T CB 1.825 70.712 68.868 0.032 0.000 1.022 192 T HN 0.702 nan 8.240 nan 0.000 0.466 193 L N 1.162 122.434 121.223 0.081 0.000 2.513 193 L HA 0.444 4.784 4.340 -0.000 0.000 0.222 193 L C 1.433 178.351 176.870 0.080 0.000 1.096 193 L CA 0.139 55.037 54.840 0.096 0.000 0.857 193 L CB -0.255 41.820 42.059 0.027 0.000 1.026 193 L HN 0.968 nan 8.230 nan 0.000 0.469 194 G N -0.648 108.180 108.800 0.046 0.000 3.003 194 G HA2 0.608 4.567 3.960 -0.000 0.000 0.243 194 G HA3 0.608 4.567 3.960 -0.000 0.000 0.243 194 G C -1.334 173.573 174.900 0.012 0.000 1.176 194 G CA 0.039 45.155 45.100 0.027 0.000 0.812 194 G HN -0.027 nan 8.290 nan 0.000 0.584 195 A N 0.033 122.856 122.820 0.004 0.000 2.396 195 A HA 0.655 4.975 4.320 -0.000 0.000 0.279 195 A C 0.068 177.650 177.584 -0.003 0.000 1.165 195 A CA 0.213 52.248 52.037 -0.003 0.000 0.824 195 A CB -0.183 18.815 19.000 -0.004 0.000 1.100 195 A HN 0.830 nan 8.150 nan 0.000 0.516 196 S N 1.700 117.396 115.700 -0.007 0.000 2.541 196 S HA 0.537 5.007 4.470 -0.000 0.000 0.280 196 S C -0.602 173.991 174.600 -0.012 0.000 1.112 196 S CA -0.562 57.633 58.200 -0.009 0.000 0.925 196 S CB 1.447 64.641 63.200 -0.010 0.000 1.067 196 S HN 0.767 nan 8.310 nan 0.000 0.479 197 M N 3.749 123.344 119.600 -0.009 0.000 2.108 197 M HA 0.407 4.887 4.480 -0.000 0.000 0.347 197 M C -1.484 174.811 176.300 -0.008 0.000 1.326 197 M CA -0.704 54.591 55.300 -0.007 0.000 1.126 197 M CB -0.126 32.473 32.600 -0.002 0.000 1.606 197 M HN 0.366 nan 8.290 nan 0.000 0.462 198 V N 6.834 126.741 119.914 -0.011 0.000 2.311 198 V HA 0.342 4.462 4.120 -0.000 0.000 0.275 198 V C 0.259 176.355 176.094 0.003 0.000 1.022 198 V CA -0.300 61.993 62.300 -0.011 0.000 0.830 198 V CB 0.523 32.330 31.823 -0.027 0.000 1.012 198 V HN 0.883 nan 8.190 nan 0.000 0.452 199 E N 2.861 123.069 120.200 0.013 0.000 2.583 199 E HA 0.343 4.693 4.350 -0.000 0.000 0.213 199 E C 0.887 177.510 176.600 0.038 0.000 0.989 199 E CA 0.068 56.487 56.400 0.031 0.000 0.991 199 E CB 1.620 31.339 29.700 0.032 0.000 1.040 199 E HN 0.785 nan 8.360 nan 0.000 0.481 200 G N 0.831 109.649 108.800 0.031 0.000 3.251 200 G HA2 0.498 4.458 3.960 -0.000 0.000 0.248 200 G HA3 0.498 4.458 3.960 -0.000 0.000 0.248 200 G C -0.895 174.046 174.900 0.068 0.000 1.320 200 G CA -0.878 44.247 45.100 0.042 0.000 0.982 200 G HN -0.090 nan 8.290 nan 0.000 0.575 201 R N 0.045 120.596 120.500 0.085 0.000 2.265 201 R HA 0.391 4.731 4.340 -0.000 0.000 0.328 201 R C -0.739 175.615 176.300 0.089 0.000 0.969 201 R CA -0.384 55.817 56.100 0.169 0.000 0.832 201 R CB 1.591 32.024 30.300 0.221 0.000 1.139 201 R HN 0.285 nan 8.270 nan 0.000 0.457 202 I N 2.840 123.411 120.570 0.002 0.000 2.287 202 I HA 0.117 4.287 4.170 -0.000 0.000 0.290 202 I C 0.306 176.347 176.117 -0.127 0.000 1.069 202 I CA -0.208 61.041 61.300 -0.085 0.000 1.237 202 I CB 1.195 39.108 38.000 -0.145 0.000 1.418 202 I HN 0.548 nan 8.210 nan 0.000 0.481 203 S N 4.200 119.877 115.700 -0.039 0.000 2.587 203 S HA 0.309 4.779 4.470 -0.000 0.000 0.260 203 S C 0.687 175.183 174.600 -0.172 0.000 1.353 203 S CA -0.777 57.395 58.200 -0.047 0.000 0.995 203 S CB 0.766 63.959 63.200 -0.011 0.000 0.912 203 S HN 0.729 nan 8.310 nan 0.000 0.568 204 A N 0.503 123.174 122.820 -0.248 0.000 2.546 204 A HA 0.457 4.777 4.320 -0.000 0.000 0.243 204 A C 1.552 178.971 177.584 -0.275 0.000 1.063 204 A CA 0.283 52.050 52.037 -0.450 0.000 0.757 204 A CB -1.264 17.333 19.000 -0.671 0.000 0.991 204 A HN 1.885 nan 8.150 nan 0.000 0.503 205 G N 0.950 109.574 108.800 -0.295 0.000 2.179 205 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.260 205 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.260 205 G C 0.248 175.175 174.900 0.045 0.000 0.977 205 G CA 0.215 45.234 45.100 -0.134 0.000 0.641 205 G HN 1.431 nan 8.290 nan 0.000 0.533 206 V N 0.986 120.868 119.914 -0.054 0.000 2.498 206 V HA 0.581 4.701 4.120 -0.000 0.000 0.279 206 V C 0.567 176.639 176.094 -0.036 0.000 1.048 206 V CA -0.515 61.773 62.300 -0.020 0.000 0.967 206 V CB 1.736 33.531 31.823 -0.047 0.000 0.988 206 V HN 0.224 nan 8.190 nan 0.000 0.473 207 V N 5.773 125.685 119.914 -0.003 0.000 2.495 207 V HA 0.496 4.616 4.120 -0.000 0.000 0.298 207 V C -0.308 175.775 176.094 -0.020 0.000 1.031 207 V CA -0.526 61.763 62.300 -0.018 0.000 0.871 207 V CB 2.175 34.002 31.823 0.005 0.000 0.988 207 V HN 0.595 nan 8.190 nan 0.000 0.432 208 V N 3.868 123.769 119.914 -0.021 0.000 2.409 208 V HA 0.644 4.764 4.120 -0.000 0.000 0.291 208 V C 0.766 176.856 176.094 -0.006 0.000 1.020 208 V CA -0.410 61.881 62.300 -0.015 0.000 0.848 208 V CB 1.601 33.412 31.823 -0.020 0.000 0.990 208 V HN 0.959 nan 8.190 nan 0.000 0.430 209 G N 2.140 110.937 108.800 -0.005 0.000 2.606 209 G HA2 0.275 4.235 3.960 -0.000 0.000 0.252 209 G HA3 0.275 4.235 3.960 -0.000 0.000 0.252 209 G C -0.269 174.633 174.900 0.003 0.000 1.206 209 G CA -0.263 44.837 45.100 -0.000 0.000 0.861 209 G HN 0.720 nan 8.290 nan 0.000 0.561 210 D N -0.546 119.858 120.400 0.007 0.000 2.533 210 D HA 0.317 4.957 4.640 -0.000 0.000 0.236 210 D C 1.539 177.841 176.300 0.004 0.000 1.137 210 D CA 1.746 55.751 54.000 0.007 0.000 0.867 210 D CB 0.379 41.184 40.800 0.008 0.000 1.170 210 D HN 0.996 nan 8.370 nan 0.000 0.474 211 G N 2.457 111.258 108.800 0.002 0.000 2.184 211 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.264 211 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.264 211 G C 0.317 175.217 174.900 -0.000 0.000 0.975 211 G CA 0.458 45.559 45.100 0.001 0.000 0.642 211 G HN 0.594 nan 8.290 nan 0.000 0.536 212 S N 1.090 116.790 115.700 -0.001 0.000 2.537 212 S HA 0.578 5.048 4.470 -0.000 0.000 0.275 212 S C -0.445 174.152 174.600 -0.005 0.000 1.272 212 S CA -0.506 57.692 58.200 -0.002 0.000 1.050 212 S CB 1.541 64.739 63.200 -0.004 0.000 0.961 212 S HN 0.324 nan 8.310 nan 0.000 0.496 213 D N 1.400 121.797 120.400 -0.005 0.000 2.350 213 D HA 0.477 5.116 4.640 -0.000 0.000 0.245 213 D C -0.888 175.406 176.300 -0.010 0.000 1.036 213 D CA -0.368 53.629 54.000 -0.006 0.000 0.848 213 D CB 1.894 42.693 40.800 -0.003 0.000 1.307 213 D HN 0.197 nan 8.370 nan 0.000 0.469 214 V N 1.527 121.434 119.914 -0.011 0.000 2.350 214 V HA 0.551 4.671 4.120 -0.000 0.000 0.285 214 V C 1.028 177.117 176.094 -0.008 0.000 1.014 214 V CA -0.888 61.403 62.300 -0.015 0.000 0.831 214 V CB 1.297 33.110 31.823 -0.018 0.000 1.000 214 V HN 0.600 nan 8.190 nan 0.000 0.433 215 G N 3.164 111.958 108.800 -0.011 0.000 2.667 215 G HA2 0.440 4.400 3.960 -0.000 0.000 0.250 215 G HA3 0.440 4.400 3.960 -0.000 0.000 0.250 215 G C 0.584 175.486 174.900 0.003 0.000 1.212 215 G CA 0.062 45.160 45.100 -0.003 0.000 0.874 215 G HN 1.040 nan 8.290 nan 0.000 0.561 216 G N -1.614 107.192 108.800 0.010 0.000 2.380 216 G HA2 0.511 4.471 3.960 -0.000 0.000 0.242 216 G HA3 0.511 4.471 3.960 -0.000 0.000 0.242 216 G C 1.260 176.169 174.900 0.015 0.000 1.298 216 G CA 0.687 45.798 45.100 0.019 0.000 0.878 216 G HN 1.979 nan 8.290 nan 0.000 0.542 217 G N 0.667 109.481 108.800 0.023 0.000 2.184 217 G HA2 0.089 4.049 3.960 -0.000 0.000 0.264 217 G HA3 0.089 4.049 3.960 -0.000 0.000 0.264 217 G C 0.812 175.719 174.900 0.011 0.000 0.975 217 G CA 0.733 45.847 45.100 0.022 0.000 0.642 217 G HN 1.960 nan 8.290 nan 0.000 0.536 218 A N -0.142 122.674 122.820 -0.007 0.000 2.445 218 A HA 0.665 4.985 4.320 -0.000 0.000 0.242 218 A C 0.786 178.347 177.584 -0.037 0.000 1.075 218 A CA 1.153 53.161 52.037 -0.049 0.000 0.777 218 A CB 0.749 19.711 19.000 -0.063 0.000 1.013 218 A HN 1.642 nan 8.150 nan 0.000 0.493 219 S N 1.801 117.442 115.700 -0.098 0.000 2.566 219 S HA 0.561 5.031 4.470 -0.000 0.000 0.324 219 S C -0.641 173.905 174.600 -0.091 0.000 1.081 219 S CA -0.586 57.596 58.200 -0.031 0.000 1.105 219 S CB -0.283 62.983 63.200 0.110 0.000 0.981 219 S HN 0.474 nan 8.310 nan 0.000 0.464 220 I N 5.477 126.032 120.570 -0.024 0.000 2.307 220 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 220 I C 0.665 176.792 176.117 0.017 0.000 1.021 220 I CA -0.365 60.915 61.300 -0.034 0.000 1.224 220 I CB 0.952 38.929 38.000 -0.039 0.000 1.376 220 I HN 0.909 nan 8.210 nan 0.000 0.470 221 M N 3.905 123.530 119.600 0.041 0.000 2.588 221 M HA -0.136 4.344 4.480 -0.000 0.000 0.211 221 M C 0.165 176.514 176.300 0.080 0.000 0.450 221 M CA 0.292 55.627 55.300 0.058 0.000 0.601 221 M CB -0.800 31.813 32.600 0.022 0.000 2.236 221 M HN 0.867 nan 8.290 nan 0.000 0.787 222 G N 0.470 109.360 108.800 0.150 0.000 2.557 222 G HA2 0.555 4.515 3.960 -0.000 0.000 0.292 222 G HA3 0.555 4.515 3.960 -0.000 0.000 0.292 222 G C -0.238 174.693 174.900 0.051 0.000 1.237 222 G CA -0.026 45.145 45.100 0.118 0.000 0.978 222 G HN 0.382 nan 8.290 nan 0.000 0.498 223 T N 0.964 115.521 114.554 0.005 0.000 2.933 223 T HA 0.090 4.440 4.350 -0.000 0.000 0.306 223 T C 1.295 175.938 174.700 -0.096 0.000 1.045 223 T CA 0.497 62.574 62.100 -0.039 0.000 1.143 223 T CB 0.089 68.932 68.868 -0.042 0.000 1.003 223 T HN 0.590 nan 8.240 nan 0.000 0.540 224 L N 1.464 122.634 121.223 -0.089 0.000 4.137 224 L HA -0.271 4.069 4.340 -0.000 0.000 0.421 224 L C 1.967 178.752 176.870 -0.142 0.000 1.162 224 L CA 0.793 55.563 54.840 -0.116 0.000 0.978 224 L CB -2.106 39.867 42.059 -0.145 0.000 1.957 224 L HN 0.891 nan 8.230 nan 0.000 0.978 225 S N -1.445 114.208 115.700 -0.077 0.000 2.561 225 S HA 0.399 4.869 4.470 -0.000 0.000 0.225 225 S C 0.900 175.515 174.600 0.025 0.000 0.977 225 S CA 0.492 58.703 58.200 0.018 0.000 0.926 225 S CB 0.819 64.146 63.200 0.211 0.000 0.769 225 S HN 0.829 nan 8.310 nan 0.000 0.533 226 G N -1.002 107.794 108.800 -0.007 0.000 2.340 226 G HA2 0.435 4.395 3.960 -0.000 0.000 0.298 226 G HA3 0.435 4.395 3.960 -0.000 0.000 0.298 226 G C 0.315 175.205 174.900 -0.016 0.000 1.498 226 G CA -0.309 44.788 45.100 -0.005 0.000 0.847 226 G HN 0.356 nan 8.290 nan 0.000 0.594 227 G N -0.461 108.329 108.800 -0.018 0.000 2.601 227 G HA2 0.363 4.323 3.960 -0.000 0.000 0.214 227 G HA3 0.363 4.323 3.960 -0.000 0.000 0.214 227 G C 1.703 176.579 174.900 -0.039 0.000 1.132 227 G CA 1.609 46.692 45.100 -0.029 0.000 0.761 227 G HN 2.432 nan 8.290 nan 0.000 0.550 228 G N -0.607 108.175 108.800 -0.031 0.000 2.321 228 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.287 228 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.287 228 G C 1.068 175.928 174.900 -0.066 0.000 1.018 228 G CA 1.531 46.610 45.100 -0.036 0.000 0.855 228 G HN 0.897 nan 8.290 nan 0.000 0.507 229 T N -2.123 112.362 114.554 -0.115 0.000 3.044 229 T HA 0.239 4.589 4.350 -0.000 0.000 0.255 229 T C 0.930 175.441 174.700 -0.314 0.000 1.073 229 T CA 1.344 63.303 62.100 -0.234 0.000 1.125 229 T CB 0.157 68.813 68.868 -0.353 0.000 0.908 229 T HN 0.665 nan 8.240 nan 0.000 0.480 230 H N 0.225 119.285 119.070 -0.017 0.000 2.679 230 H HA 0.578 5.134 4.556 -0.000 0.000 0.367 230 H C -0.353 174.959 175.328 -0.026 0.000 1.162 230 H CA -1.107 54.925 56.048 -0.027 0.000 1.181 230 H CB 2.135 31.876 29.762 -0.034 0.000 1.693 230 H HN 0.164 nan 8.280 nan 0.000 0.538 231 V N 1.449 121.427 119.914 0.107 0.000 2.881 231 V HA 0.282 4.402 4.120 -0.000 0.000 0.303 231 V C 0.555 176.662 176.094 0.021 0.000 1.070 231 V CA -0.548 61.781 62.300 0.049 0.000 1.074 231 V CB 0.251 32.105 31.823 0.052 0.000 1.012 231 V HN 0.684 nan 8.190 nan 0.000 0.482 232 I N 1.858 122.437 120.570 0.014 0.000 2.793 232 I HA 0.947 5.117 4.170 -0.000 0.000 0.313 232 I C 0.085 176.197 176.117 -0.008 0.000 0.998 232 I CA -0.427 60.872 61.300 -0.003 0.000 1.140 232 I CB 2.114 40.112 38.000 -0.004 0.000 1.327 232 I HN 0.910 nan 8.210 nan 0.000 0.491 233 S N 3.574 119.264 115.700 -0.017 0.000 2.651 233 S HA 0.727 5.197 4.470 -0.000 0.000 0.279 233 S C -0.943 173.648 174.600 -0.016 0.000 1.148 233 S CA -0.832 57.359 58.200 -0.015 0.000 0.837 233 S CB 2.003 65.192 63.200 -0.018 0.000 1.138 233 S HN 0.526 nan 8.310 nan 0.000 0.478 234 I N 1.757 122.319 120.570 -0.014 0.000 2.433 234 I HA 0.569 4.738 4.170 -0.000 0.000 0.292 234 I C 1.178 177.291 176.117 -0.006 0.000 1.001 234 I CA -0.383 60.911 61.300 -0.010 0.000 1.119 234 I CB 1.013 39.005 38.000 -0.014 0.000 1.289 234 I HN 1.030 nan 8.210 nan 0.000 0.438 235 G N 6.161 114.960 108.800 -0.001 0.000 2.679 235 G HA2 0.210 4.170 3.960 -0.000 0.000 0.202 235 G HA3 0.210 4.170 3.960 -0.000 0.000 0.202 235 G C -0.018 174.882 174.900 0.000 0.000 1.566 235 G CA -0.396 44.703 45.100 -0.001 0.000 1.074 235 G HN 0.521 nan 8.290 nan 0.000 0.564 236 K N 0.032 120.433 120.400 0.001 0.000 2.110 236 K HA 0.410 4.730 4.320 -0.000 0.000 0.263 236 K C 0.037 176.639 176.600 0.003 0.000 0.975 236 K CA -0.473 55.815 56.287 0.002 0.000 0.895 236 K CB 1.239 33.740 32.500 0.001 0.000 1.060 236 K HN 0.487 nan 8.250 nan 0.000 0.448 237 R N -0.816 119.685 120.500 0.002 0.000 3.651 237 R HA -0.194 4.146 4.340 -0.000 0.000 0.292 237 R C -0.571 175.732 176.300 0.005 0.000 1.161 237 R CA 0.195 56.297 56.100 0.003 0.000 0.787 237 R CB -2.887 27.414 30.300 0.002 0.000 1.249 237 R HN 0.532 nan 8.270 nan 0.000 0.476 238 C N 0.564 119.868 119.300 0.007 0.000 2.459 238 C HA 0.642 5.101 4.460 -0.000 0.000 0.374 238 C C 0.485 175.479 174.990 0.007 0.000 1.241 238 C CA -0.681 58.344 59.018 0.011 0.000 2.352 238 C CB 1.031 28.778 27.740 0.013 0.000 2.490 238 C HN 0.392 nan 8.230 nan 0.000 0.583 239 L N 3.181 124.412 121.223 0.012 0.000 2.441 239 L HA 0.595 4.935 4.340 -0.000 0.000 0.270 239 L C -1.019 175.853 176.870 0.004 0.000 0.973 239 L CA -0.136 54.708 54.840 0.006 0.000 0.842 239 L CB 0.965 43.028 42.059 0.008 0.000 1.239 239 L HN 0.585 nan 8.230 nan 0.000 0.406 240 L N 5.034 126.250 121.223 -0.010 0.000 2.272 240 L HA 0.628 4.968 4.340 -0.000 0.000 0.289 240 L C 1.088 177.945 176.870 -0.022 0.000 1.032 240 L CA -0.686 54.139 54.840 -0.026 0.000 0.810 240 L CB 1.366 43.393 42.059 -0.053 0.000 1.205 240 L HN 0.768 nan 8.230 nan 0.000 0.422 241 G N 1.994 110.784 108.800 -0.018 0.000 2.664 241 G HA2 0.376 4.336 3.960 -0.000 0.000 0.242 241 G HA3 0.376 4.336 3.960 -0.000 0.000 0.242 241 G C 0.254 175.143 174.900 -0.019 0.000 1.225 241 G CA -0.192 44.901 45.100 -0.012 0.000 0.849 241 G HN 0.804 nan 8.290 nan 0.000 0.581 242 A N 0.588 123.403 122.820 -0.008 0.000 2.520 242 A HA 0.351 4.671 4.320 -0.000 0.000 0.235 242 A C 1.182 178.761 177.584 -0.008 0.000 1.065 242 A CA 0.431 52.465 52.037 -0.006 0.000 0.764 242 A CB -0.140 18.862 19.000 0.002 0.000 1.002 242 A HN 1.112 nan 8.150 nan 0.000 0.502 243 N N -0.884 117.813 118.700 -0.006 0.000 2.708 243 N HA -0.179 4.561 4.740 -0.000 0.000 0.251 243 N C 0.341 175.839 175.510 -0.020 0.000 1.123 243 N CA 1.403 54.454 53.050 0.001 0.000 0.739 243 N CB -1.835 36.661 38.487 0.016 0.000 1.113 243 N HN 1.101 nan 8.380 nan 0.000 0.561 244 S N -1.643 114.015 115.700 -0.070 0.000 2.713 244 S HA 0.837 5.307 4.470 -0.000 0.000 0.277 244 S C 0.650 175.040 174.600 -0.351 0.000 1.168 244 S CA 0.019 58.130 58.200 -0.147 0.000 0.994 244 S CB 2.538 65.662 63.200 -0.126 0.000 1.054 244 S HN 0.431 nan 8.310 nan 0.000 0.555 245 G N -0.748 107.633 108.800 -0.698 0.000 2.659 245 G HA2 0.603 4.563 3.960 -0.000 0.000 0.296 245 G HA3 0.603 4.563 3.960 -0.000 0.000 0.296 245 G C -2.093 172.187 174.900 -1.033 0.000 1.369 245 G CA -0.707 43.460 45.100 -1.556 0.000 0.937 245 G HN 0.848 nan 8.290 nan 0.000 0.485 246 L N 1.209 122.027 121.223 -0.674 0.000 2.438 246 L HA 0.797 5.137 4.340 -0.000 0.000 0.270 246 L C 0.547 177.367 176.870 -0.083 0.000 0.972 246 L CA -0.140 54.523 54.840 -0.296 0.000 0.831 246 L CB 2.163 44.094 42.059 -0.214 0.000 1.273 246 L HN 0.745 nan 8.230 nan 0.000 0.405 247 G N 5.252 114.037 108.800 -0.024 0.000 3.695 247 G HA2 0.353 4.313 3.960 -0.000 0.000 0.277 247 G HA3 0.353 4.313 3.960 -0.000 0.000 0.277 247 G C -0.120 174.774 174.900 -0.010 0.000 1.001 247 G CA 0.382 45.505 45.100 0.039 0.000 0.837 247 G HN 0.645 nan 8.290 nan 0.000 0.492 248 I N -3.248 117.290 120.570 -0.055 0.000 3.042 248 I HA 0.744 4.914 4.170 -0.000 0.000 0.310 248 I C -0.431 175.661 176.117 -0.041 0.000 1.117 248 I CA -1.048 60.227 61.300 -0.042 0.000 1.003 248 I CB 2.019 39.984 38.000 -0.057 0.000 1.228 248 I HN -0.232 nan 8.210 nan 0.000 0.443 249 S N 3.141 118.830 115.700 -0.017 0.000 2.580 249 S HA 0.578 5.048 4.470 -0.000 0.000 0.274 249 S C -0.255 174.347 174.600 0.004 0.000 1.329 249 S CA -0.509 57.683 58.200 -0.013 0.000 1.036 249 S CB 0.633 63.825 63.200 -0.013 0.000 0.919 249 S HN 0.370 nan 8.310 nan 0.000 0.515 250 L N 1.978 123.206 121.223 0.009 0.000 2.334 250 L HA 0.546 4.886 4.340 -0.000 0.000 0.276 250 L C 1.229 178.115 176.870 0.027 0.000 1.014 250 L CA -0.804 54.060 54.840 0.040 0.000 0.815 250 L CB 1.389 43.476 42.059 0.046 0.000 1.268 250 L HN 0.802 nan 8.230 nan 0.000 0.428 251 G N 1.057 109.878 108.800 0.035 0.000 2.711 251 G HA2 0.070 4.030 3.960 -0.000 0.000 0.186 251 G HA3 0.070 4.030 3.960 -0.000 0.000 0.186 251 G C -0.468 174.441 174.900 0.016 0.000 1.635 251 G CA -0.261 44.850 45.100 0.018 0.000 1.065 251 G HN 0.557 nan 8.290 nan 0.000 0.545 252 D N 0.244 120.650 120.400 0.011 0.000 2.277 252 D HA 0.321 4.961 4.640 -0.000 0.000 0.250 252 D C -0.276 176.030 176.300 0.010 0.000 1.032 252 D CA -0.172 53.833 54.000 0.008 0.000 0.947 252 D CB 1.079 41.880 40.800 0.002 0.000 1.159 252 D HN 0.367 nan 8.370 nan 0.000 0.460 253 D N -0.243 120.162 120.400 0.009 0.000 2.746 253 D HA -0.164 4.476 4.640 -0.000 0.000 0.236 253 D C -0.543 175.763 176.300 0.011 0.000 1.129 253 D CA 0.521 54.525 54.000 0.006 0.000 0.691 253 D CB -1.455 39.344 40.800 -0.001 0.000 1.077 253 D HN 0.221 nan 8.370 nan 0.000 0.432 254 C N 0.003 119.320 119.300 0.028 0.000 2.397 254 C HA 0.733 5.193 4.460 -0.000 0.000 0.343 254 C C 0.684 175.710 174.990 0.061 0.000 1.188 254 C CA -0.610 58.441 59.018 0.054 0.000 1.992 254 C CB 2.242 30.045 27.740 0.105 0.000 2.358 254 C HN 0.160 nan 8.230 nan 0.000 0.518 255 V N 2.578 122.541 119.914 0.081 0.000 2.709 255 V HA 0.561 4.681 4.120 -0.000 0.000 0.308 255 V C -0.700 175.482 176.094 0.147 0.000 1.062 255 V CA -0.394 61.952 62.300 0.077 0.000 0.901 255 V CB 2.048 33.895 31.823 0.040 0.000 1.003 255 V HN 0.677 nan 8.190 nan 0.000 0.425 256 V N 4.173 124.148 119.914 0.102 0.000 2.409 256 V HA 0.372 4.492 4.120 -0.000 0.000 0.291 256 V C 0.201 176.326 176.094 0.052 0.000 1.020 256 V CA -0.774 61.593 62.300 0.110 0.000 0.848 256 V CB 1.696 33.523 31.823 0.006 0.000 0.990 256 V HN 1.056 nan 8.190 nan 0.000 0.430 257 E N 4.578 124.818 120.200 0.067 0.000 2.437 257 E HA 0.368 4.718 4.350 -0.000 0.000 0.263 257 E C 0.367 176.977 176.600 0.016 0.000 1.030 257 E CA -0.170 56.253 56.400 0.038 0.000 0.934 257 E CB 0.919 30.645 29.700 0.044 0.000 0.943 257 E HN 0.869 nan 8.360 nan 0.000 0.444 258 A N 2.890 125.717 122.820 0.011 0.000 2.584 258 A HA 0.316 4.635 4.320 -0.000 0.000 0.239 258 A C 1.424 179.013 177.584 0.008 0.000 1.043 258 A CA 0.640 52.680 52.037 0.004 0.000 0.756 258 A CB -0.947 18.057 19.000 0.006 0.000 0.963 258 A HN 1.456 nan 8.150 nan 0.000 0.511 259 G N 0.434 109.236 108.800 0.003 0.000 2.184 259 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.264 259 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.264 259 G C 0.071 174.989 174.900 0.031 0.000 0.975 259 G CA 0.553 45.664 45.100 0.019 0.000 0.642 259 G HN 1.716 nan 8.290 nan 0.000 0.536 260 L N 0.599 121.831 121.223 0.014 0.000 2.275 260 L HA 0.744 5.084 4.340 -0.000 0.000 0.288 260 L C -0.244 176.624 176.870 -0.004 0.000 1.046 260 L CA -1.630 53.228 54.840 0.031 0.000 0.805 260 L CB 0.847 42.930 42.059 0.040 0.000 1.193 260 L HN 0.170 nan 8.230 nan 0.000 0.426 261 Y N 4.842 125.129 120.300 -0.022 0.000 2.454 261 Y HA 0.448 4.998 4.550 -0.000 0.000 0.345 261 Y C -0.345 175.511 175.900 -0.073 0.000 0.970 261 Y CA -0.613 57.461 58.100 -0.043 0.000 1.204 261 Y CB 1.043 39.483 38.460 -0.033 0.000 1.122 261 Y HN 0.379 nan 8.280 nan 0.000 0.514 262 V N 6.170 126.070 119.914 -0.024 0.000 2.339 262 V HA 0.141 4.261 4.120 -0.000 0.000 0.261 262 V C 0.367 176.475 176.094 0.023 0.000 1.058 262 V CA -0.427 61.816 62.300 -0.095 0.000 0.897 262 V CB 0.419 31.967 31.823 -0.459 0.000 1.052 262 V HN 0.846 nan 8.190 nan 0.000 0.480 263 T N 2.127 116.740 114.554 0.099 0.000 2.902 263 T HA 0.576 4.926 4.350 -0.000 0.000 0.280 263 T C 1.405 176.106 174.700 0.001 0.000 0.992 263 T CA 0.016 62.161 62.100 0.075 0.000 1.015 263 T CB 1.877 70.759 68.868 0.024 0.000 1.044 263 T HN 0.578 nan 8.240 nan 0.000 0.520 264 A N 1.065 123.885 122.820 0.002 0.000 2.024 264 A HA 0.166 4.486 4.320 -0.000 0.000 0.220 264 A C 2.207 179.791 177.584 0.001 0.000 1.164 264 A CA 1.543 53.577 52.037 -0.004 0.000 0.643 264 A CB -1.314 17.688 19.000 0.003 0.000 0.806 264 A HN 1.131 nan 8.150 nan 0.000 0.451 265 G N -1.516 107.283 108.800 -0.001 0.000 3.088 265 G HA2 0.291 4.251 3.960 -0.000 0.000 0.217 265 G HA3 0.291 4.251 3.960 -0.000 0.000 0.217 265 G C 0.423 175.326 174.900 0.005 0.000 1.159 265 G CA 0.429 45.529 45.100 0.000 0.000 0.760 265 G HN 0.331 nan 8.290 nan 0.000 0.550 266 T N 1.122 115.681 114.554 0.008 0.000 2.888 266 T HA 0.200 4.550 4.350 -0.000 0.000 0.301 266 T C 0.473 175.193 174.700 0.034 0.000 1.001 266 T CA -0.104 62.007 62.100 0.019 0.000 1.147 266 T CB 1.337 70.218 68.868 0.021 0.000 0.931 266 T HN 0.291 nan 8.240 nan 0.000 0.541 267 R N 2.621 123.143 120.500 0.037 0.000 2.340 267 R HA 0.450 4.790 4.340 -0.000 0.000 0.300 267 R C -0.410 175.929 176.300 0.066 0.000 1.069 267 R CA -0.512 55.615 56.100 0.045 0.000 0.984 267 R CB 0.321 30.640 30.300 0.032 0.000 1.003 267 R HN 0.543 nan 8.270 nan 0.000 0.459 268 V N 1.042 121.006 119.914 0.083 0.000 2.604 268 V HA 0.549 4.669 4.120 -0.000 0.000 0.305 268 V C -0.561 175.574 176.094 0.068 0.000 1.043 268 V CA -0.644 61.720 62.300 0.107 0.000 0.888 268 V CB 2.120 34.068 31.823 0.207 0.000 0.995 268 V HN 0.737 nan 8.190 nan 0.000 0.429 269 T N 6.833 121.417 114.554 0.050 0.000 2.767 269 T HA 0.588 4.938 4.350 -0.000 0.000 0.288 269 T C 0.001 174.705 174.700 0.007 0.000 0.963 269 T CA -0.174 61.941 62.100 0.025 0.000 1.019 269 T CB 1.001 69.880 68.868 0.020 0.000 0.923 269 T HN 0.759 nan 8.240 nan 0.000 0.468 270 M N 3.476 123.075 119.600 -0.001 0.000 2.245 270 M HA 0.283 4.763 4.480 -0.000 0.000 0.292 270 M C -1.349 174.938 176.300 -0.022 0.000 1.176 270 M CA -2.317 52.970 55.300 -0.021 0.000 1.035 270 M CB 0.840 33.429 32.600 -0.018 0.000 1.440 270 M HN 0.290 nan 8.290 nan 0.000 0.494 271 P HA -0.170 nan 4.420 nan 0.000 0.216 271 P C 0.330 177.620 177.300 -0.017 0.000 1.150 271 P CA 1.247 64.331 63.100 -0.026 0.000 0.837 271 P CB -0.165 31.515 31.700 -0.033 0.000 0.786 272 D N -1.908 118.483 120.400 -0.015 0.000 2.392 272 D HA -0.046 4.594 4.640 -0.000 0.000 0.228 272 D C 0.829 177.126 176.300 -0.006 0.000 1.003 272 D CA 0.994 54.988 54.000 -0.010 0.000 0.917 272 D CB -0.695 40.100 40.800 -0.008 0.000 0.890 272 D HN 0.077 nan 8.370 nan 0.000 0.532 273 S N -1.734 113.963 115.700 -0.005 0.000 2.488 273 S HA -0.223 4.247 4.470 -0.000 0.000 0.258 273 S C 0.104 174.706 174.600 0.002 0.000 1.281 273 S CA 0.476 58.675 58.200 -0.001 0.000 1.334 273 S CB -2.266 60.933 63.200 -0.001 0.000 1.647 273 S HN 0.512 nan 8.310 nan 0.000 0.635 274 N N 1.673 120.374 118.700 0.002 0.000 2.371 274 N HA 0.541 5.281 4.740 -0.000 0.000 0.243 274 N C -0.288 175.228 175.510 0.010 0.000 1.287 274 N CA 0.821 53.874 53.050 0.005 0.000 0.911 274 N CB 1.056 39.545 38.487 0.004 0.000 1.142 274 N HN 0.574 nan 8.380 nan 0.000 0.451 275 S N -0.617 115.092 115.700 0.015 0.000 2.569 275 S HA 0.773 5.243 4.470 -0.000 0.000 0.280 275 S C -1.219 173.397 174.600 0.026 0.000 1.111 275 S CA -0.724 57.489 58.200 0.023 0.000 0.887 275 S CB 1.551 64.765 63.200 0.023 0.000 1.095 275 S HN 0.331 nan 8.310 nan 0.000 0.476 276 V N 1.483 121.420 119.914 0.037 0.000 3.120 276 V HA 0.530 4.649 4.120 -0.000 0.000 0.303 276 V C -1.399 174.724 176.094 0.049 0.000 1.238 276 V CA -0.962 61.361 62.300 0.039 0.000 1.008 276 V CB 2.301 34.148 31.823 0.041 0.000 1.064 276 V HN 1.049 nan 8.190 nan 0.000 0.434 277 K N 2.871 123.295 120.400 0.041 0.000 2.382 277 K HA 0.322 4.642 4.320 -0.000 0.000 0.275 277 K C 1.191 177.825 176.600 0.056 0.000 1.009 277 K CA 0.474 56.786 56.287 0.041 0.000 0.970 277 K CB 1.273 33.789 32.500 0.027 0.000 0.934 277 K HN 0.864 nan 8.250 nan 0.000 0.479 278 A N 4.238 127.092 122.820 0.057 0.000 1.948 278 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 278 A C 2.072 179.686 177.584 0.050 0.000 1.177 278 A CA 1.877 53.956 52.037 0.070 0.000 0.636 278 A CB -0.477 18.512 19.000 -0.019 0.000 0.815 278 A HN 0.894 nan 8.150 nan 0.000 0.449 279 R N 0.173 120.689 120.500 0.027 0.000 2.139 279 R HA -0.196 4.144 4.340 -0.000 0.000 0.243 279 R C 1.471 177.793 176.300 0.036 0.000 1.145 279 R CA 1.776 57.892 56.100 0.026 0.000 0.976 279 R CB -0.770 29.543 30.300 0.022 0.000 0.866 279 R HN 0.624 nan 8.270 nan 0.000 0.449 280 E N 0.948 121.173 120.200 0.043 0.000 2.333 280 E HA -0.108 4.241 4.350 -0.000 0.000 0.198 280 E C 1.509 178.140 176.600 0.052 0.000 1.007 280 E CA 0.890 57.315 56.400 0.042 0.000 0.845 280 E CB -0.046 29.677 29.700 0.038 0.000 0.766 280 E HN 0.451 nan 8.360 nan 0.000 0.507 281 L N 0.406 121.677 121.223 0.081 0.000 2.607 281 L HA 0.109 4.449 4.340 -0.000 0.000 0.228 281 L C 0.940 177.867 176.870 0.095 0.000 1.123 281 L CA -0.406 54.497 54.840 0.106 0.000 0.890 281 L CB 0.511 42.693 42.059 0.206 0.000 1.103 281 L HN -0.114 nan 8.230 nan 0.000 0.468 282 S N 0.430 116.167 115.700 0.062 0.000 2.575 282 S HA 0.221 4.691 4.470 -0.000 0.000 0.295 282 S C 1.366 175.985 174.600 0.031 0.000 1.267 282 S CA 0.914 59.138 58.200 0.040 0.000 1.074 282 S CB 0.207 63.419 63.200 0.021 0.000 0.829 282 S HN 0.665 nan 8.310 nan 0.000 0.497 283 G N 3.652 112.470 108.800 0.030 0.000 2.199 283 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.254 283 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.254 283 G C 0.330 175.244 174.900 0.024 0.000 0.982 283 G CA 0.284 45.393 45.100 0.016 0.000 0.632 283 G HN 0.872 nan 8.290 nan 0.000 0.529 284 S N 0.266 115.992 115.700 0.042 0.000 2.584 284 S HA 0.611 5.081 4.470 -0.000 0.000 0.270 284 S C 0.678 175.298 174.600 0.035 0.000 1.346 284 S CA 0.391 58.612 58.200 0.035 0.000 1.018 284 S CB 1.380 64.606 63.200 0.043 0.000 0.899 284 S HN 0.529 nan 8.310 nan 0.000 0.542 285 S N 1.794 117.503 115.700 0.015 0.000 2.681 285 S HA 0.437 4.907 4.470 -0.000 0.000 0.299 285 S C 0.157 174.754 174.600 -0.006 0.000 1.113 285 S CA -0.863 57.343 58.200 0.009 0.000 1.013 285 S CB 0.656 63.857 63.200 0.001 0.000 1.076 285 S HN 0.787 nan 8.310 nan 0.000 0.534 286 N N 0.236 118.930 118.700 -0.009 0.000 2.747 286 N HA -0.144 4.596 4.740 -0.000 0.000 0.249 286 N C -1.115 174.357 175.510 -0.063 0.000 1.107 286 N CA 0.490 53.523 53.050 -0.028 0.000 0.707 286 N CB -1.582 36.887 38.487 -0.030 0.000 1.054 286 N HN 0.456 nan 8.380 nan 0.000 0.555 287 L N 0.479 121.657 121.223 -0.076 0.000 2.322 287 L HA 0.620 4.960 4.340 -0.000 0.000 0.279 287 L C 0.286 177.035 176.870 -0.202 0.000 1.036 287 L CA -0.943 53.772 54.840 -0.208 0.000 0.807 287 L CB 1.655 43.559 42.059 -0.259 0.000 1.226 287 L HN 0.065 nan 8.230 nan 0.000 0.433 288 L N 2.355 123.402 121.223 -0.292 0.000 2.356 288 L HA 0.573 4.913 4.340 -0.000 0.000 0.277 288 L C -1.350 175.326 176.870 -0.322 0.000 0.996 288 L CA 0.140 54.874 54.840 -0.177 0.000 0.822 288 L CB 1.378 43.380 42.059 -0.094 0.000 1.256 288 L HN 0.210 nan 8.230 nan 0.000 0.413 289 F N 4.852 124.796 119.950 -0.009 0.000 2.436 289 F HA 0.742 5.269 4.527 -0.000 0.000 0.340 289 F C 0.314 176.111 175.800 -0.005 0.000 1.113 289 F CA -0.320 57.676 58.000 -0.006 0.000 1.022 289 F CB 1.397 40.393 39.000 -0.007 0.000 1.128 289 F HN 0.556 nan 8.300 nan 0.000 0.466 290 R N 1.778 122.368 120.500 0.151 0.000 2.734 290 R HA 0.612 4.952 4.340 -0.000 0.000 0.271 290 R C -1.650 174.700 176.300 0.083 0.000 1.021 290 R CA -1.218 54.939 56.100 0.094 0.000 0.893 290 R CB 1.843 32.171 30.300 0.046 0.000 1.244 290 R HN 0.667 nan 8.270 nan 0.000 0.464 291 R N 2.048 122.585 120.500 0.063 0.000 2.265 291 R HA 0.154 4.494 4.340 -0.000 0.000 0.328 291 R C -0.643 175.678 176.300 0.036 0.000 0.969 291 R CA -0.682 55.450 56.100 0.052 0.000 0.832 291 R CB 0.892 31.221 30.300 0.048 0.000 1.139 291 R HN 0.702 nan 8.270 nan 0.000 0.457 292 N N 2.336 121.054 118.700 0.030 0.000 2.256 292 N HA -0.128 4.612 4.740 -0.000 0.000 0.277 292 N C 0.757 176.278 175.510 0.019 0.000 1.362 292 N CA 0.759 53.822 53.050 0.020 0.000 0.861 292 N CB 0.859 39.357 38.487 0.017 0.000 1.136 292 N HN 0.741 nan 8.380 nan 0.000 0.492 293 S N 2.241 117.951 115.700 0.016 0.000 2.481 293 S HA -0.058 4.412 4.470 -0.000 0.000 0.231 293 S C 1.670 176.277 174.600 0.011 0.000 0.996 293 S CA 0.615 58.824 58.200 0.014 0.000 0.942 293 S CB 0.108 63.315 63.200 0.012 0.000 0.768 293 S HN 0.311 nan 8.310 nan 0.000 0.520 294 V N 2.065 121.985 119.914 0.010 0.000 2.492 294 V HA 0.023 4.143 4.120 -0.000 0.000 0.241 294 V C 2.895 178.995 176.094 0.009 0.000 1.041 294 V CA 1.607 63.912 62.300 0.008 0.000 1.057 294 V CB -0.273 31.553 31.823 0.006 0.000 0.711 294 V HN 0.759 nan 8.190 nan 0.000 0.468 295 S N -0.351 115.355 115.700 0.010 0.000 2.524 295 S HA 0.225 4.695 4.470 -0.000 0.000 0.216 295 S C 1.753 176.361 174.600 0.014 0.000 0.987 295 S CA 0.958 59.164 58.200 0.011 0.000 0.909 295 S CB 0.681 63.887 63.200 0.010 0.000 0.781 295 S HN 1.132 nan 8.310 nan 0.000 0.521 296 G N 1.202 110.012 108.800 0.016 0.000 2.189 296 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.267 296 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.267 296 G C 0.341 175.256 174.900 0.024 0.000 0.975 296 G CA 0.172 45.284 45.100 0.020 0.000 0.644 296 G HN 1.407 nan 8.290 nan 0.000 0.537 297 A N 0.111 122.945 122.820 0.024 0.000 2.440 297 A HA 0.611 4.931 4.320 -0.000 0.000 0.251 297 A C 0.793 178.402 177.584 0.041 0.000 1.089 297 A CA 0.343 52.398 52.037 0.030 0.000 0.779 297 A CB 0.755 19.770 19.000 0.024 0.000 1.022 297 A HN 1.179 nan 8.150 nan 0.000 0.492 298 V N 3.524 123.470 119.914 0.054 0.000 2.521 298 V HA 0.167 4.287 4.120 -0.000 0.000 0.286 298 V C 0.374 176.519 176.094 0.085 0.000 1.034 298 V CA 0.425 62.774 62.300 0.081 0.000 1.045 298 V CB 0.013 31.893 31.823 0.096 0.000 0.974 298 V HN 0.966 nan 8.190 nan 0.000 0.480 299 E N 3.026 123.278 120.200 0.087 0.000 2.343 299 E HA 0.703 5.053 4.350 -0.000 0.000 0.270 299 E C -1.397 175.208 176.600 0.010 0.000 0.895 299 E CA -0.804 55.621 56.400 0.042 0.000 0.767 299 E CB 3.017 32.723 29.700 0.010 0.000 1.248 299 E HN 0.413 nan 8.360 nan 0.000 0.440 300 V N 2.977 122.836 119.914 -0.091 0.000 2.540 300 V HA 0.478 4.598 4.120 -0.000 0.000 0.302 300 V C -1.668 174.287 176.094 -0.232 0.000 1.035 300 V CA -0.581 61.520 62.300 -0.332 0.000 0.873 300 V CB 1.248 32.767 31.823 -0.506 0.000 0.992 300 V HN 0.444 nan 8.190 nan 0.000 0.428 301 L N 5.334 126.409 121.223 -0.247 0.000 2.333 301 L HA 0.850 5.190 4.340 -0.000 0.000 0.269 301 L C 0.442 177.214 176.870 -0.162 0.000 1.010 301 L CA -0.280 54.468 54.840 -0.153 0.000 0.818 301 L CB 1.698 43.695 42.059 -0.103 0.000 1.306 301 L HN 0.774 nan 8.230 nan 0.000 0.430 302 A N 1.448 124.202 122.820 -0.110 0.000 2.401 302 A HA 0.415 4.735 4.320 -0.000 0.000 0.259 302 A C 0.808 178.350 177.584 -0.071 0.000 1.103 302 A CA -0.113 51.870 52.037 -0.089 0.000 0.789 302 A CB 0.043 19.006 19.000 -0.063 0.000 1.035 302 A HN 0.791 nan 8.150 nan 0.000 0.491 303 R N 0.628 121.090 120.500 -0.064 0.000 2.334 303 R HA 0.047 4.387 4.340 -0.000 0.000 0.216 303 R C -0.419 175.862 176.300 -0.032 0.000 0.905 303 R CA 0.744 56.816 56.100 -0.046 0.000 1.064 303 R CB 0.371 30.646 30.300 -0.042 0.000 1.046 303 R HN 0.872 nan 8.270 nan 0.000 0.508 304 D N -1.703 118.679 120.400 -0.031 0.000 2.582 304 D HA 0.089 4.729 4.640 -0.000 0.000 0.246 304 D C 0.942 177.230 176.300 -0.021 0.000 1.334 304 D CA 0.178 54.164 54.000 -0.023 0.000 0.805 304 D CB 0.415 41.203 40.800 -0.020 0.000 1.087 304 D HN 0.087 nan 8.370 nan 0.000 0.499 305 G N 0.911 109.697 108.800 -0.023 0.000 2.189 305 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.267 305 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.267 305 G C 0.278 175.166 174.900 -0.021 0.000 0.975 305 G CA 0.310 45.398 45.100 -0.021 0.000 0.644 305 G HN 0.396 nan 8.290 nan 0.000 0.537 306 Q N 0.128 119.914 119.800 -0.023 0.000 2.656 306 Q HA 0.489 4.829 4.340 -0.000 0.000 0.389 306 Q C 1.063 177.048 176.000 -0.025 0.000 0.883 306 Q CA 0.234 56.024 55.803 -0.021 0.000 1.056 306 Q CB 0.537 29.264 28.738 -0.018 0.000 1.391 306 Q HN 1.614 nan 8.270 nan 0.000 0.399 307 G N 0.906 109.689 108.800 -0.030 0.000 2.668 307 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.266 307 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.266 307 G C 0.506 175.384 174.900 -0.037 0.000 1.328 307 G CA 0.282 45.362 45.100 -0.032 0.000 0.911 307 G HN 0.434 nan 8.290 nan 0.000 0.567 308 I N -0.670 119.879 120.570 -0.034 0.000 4.317 308 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 308 I C 1.930 178.035 176.117 -0.021 0.000 1.164 308 I CA 0.438 61.717 61.300 -0.036 0.000 1.312 308 I CB -0.735 37.236 38.000 -0.047 0.000 1.569 308 I HN 0.895 nan 8.210 nan 0.000 0.450 309 A N 0.000 122.810 122.820 -0.017 0.000 2.254 309 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 309 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 309 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 309 A HN 0.000 nan 8.150 nan 0.000 0.486