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 2hlz_1_D DATA FIRST_RESID -2 DATA SEQUENCE GLVPRGSQIL CVGLVVLDVI SLVDKYPKED SEIRCLSQRW QRGGNASNSC DATA SEQUENCE TILSLLGAPC AFXGSXAPGH VADFVLDDLR RYSVDLRYTV FQTTGSVPIA DATA SEQUENCE TVIINEASGS RTILYYDRSL PDVSATDFEK VDLTQFKWIH IEGRNASEQV DATA SEQUENCE KXLQRIDAHN TRQPPEQKIR VSVEVEKPRE ELFQLFGYGD VVFVSKDVAK DATA SEQUENCE HLGFQSAEEA LRGLYGRVRK GAVLVCAWAE EGADALGPDG KLLHSDAFPP DATA SEQUENCE PRVVDTLGAG DTFNASVIFS LSQGRSVQEA LRFGCQVAGK KCGLQGFDGI DATA SEQUENCE V 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 -2 G C 0.000 174.901 174.900 0.002 0.000 0.946 -2 G CA 0.000 45.102 45.100 0.003 0.000 0.502 -1 L N 1.156 122.378 121.223 -0.002 0.000 2.455 -1 L HA 0.517 4.857 4.340 0.001 0.000 0.272 -1 L C 0.560 177.427 176.870 -0.006 0.000 1.174 -1 L CA -0.151 54.685 54.840 -0.007 0.000 0.869 -1 L CB 0.997 43.050 42.059 -0.011 0.000 1.130 -1 L HN 0.342 nan 8.230 nan 0.000 0.474 0 V N 8.269 128.177 119.914 -0.010 0.000 2.485 0 V HA 0.175 4.295 4.120 0.001 0.000 0.287 0 V C -1.581 174.502 176.094 -0.018 0.000 1.022 0 V CA -1.089 61.208 62.300 -0.007 0.000 1.067 0 V CB 0.105 31.922 31.823 -0.010 0.000 0.967 0 V HN 0.819 nan 8.190 nan 0.000 0.479 1 P HA 0.171 nan 4.420 nan 0.000 0.272 1 P C -0.226 177.062 177.300 -0.020 0.000 1.230 1 P CA -0.567 62.528 63.100 -0.008 0.000 0.788 1 P CB 0.449 32.154 31.700 0.007 0.000 0.949 2 R N 0.322 120.810 120.500 -0.020 0.000 2.679 2 R HA 0.311 4.651 4.340 0.001 0.000 0.268 2 R C 0.810 177.110 176.300 -0.001 0.000 1.044 2 R CA 0.250 56.334 56.100 -0.028 0.000 1.105 2 R CB -1.017 29.276 30.300 -0.012 0.000 0.989 2 R HN 0.730 nan 8.270 nan 0.000 0.447 3 G N 1.288 110.087 108.800 -0.001 0.000 2.203 3 G HA2 -0.376 3.584 3.960 0.001 0.000 0.263 3 G HA3 -0.376 3.584 3.960 0.001 0.000 0.263 3 G C 0.596 175.549 174.900 0.089 0.000 1.012 3 G CA 0.713 45.848 45.100 0.059 0.000 0.749 3 G HN 0.889 nan 8.290 nan 0.000 0.512 4 S N -1.920 113.823 115.700 0.072 0.000 2.497 4 S HA 0.339 4.810 4.470 0.001 0.000 0.218 4 S C 0.809 175.498 174.600 0.149 0.000 1.023 4 S CA 0.591 58.847 58.200 0.093 0.000 0.913 4 S CB 0.421 63.657 63.200 0.059 0.000 0.800 4 S HN 0.604 nan 8.310 nan 0.000 0.505 5 Q N 0.334 120.264 119.800 0.216 0.000 2.257 5 Q HA 0.592 4.932 4.340 0.001 0.000 0.262 5 Q C -1.173 175.071 176.000 0.407 0.000 0.997 5 Q CA -0.633 55.360 55.803 0.317 0.000 0.873 5 Q CB 2.003 30.988 28.738 0.412 0.000 1.312 5 Q HN 0.379 nan 8.270 nan 0.000 0.450 6 I N 2.352 123.100 120.570 0.298 0.000 2.315 6 I HA 0.148 4.318 4.170 0.001 0.000 0.291 6 I C -0.683 175.520 176.117 0.143 0.000 1.006 6 I CA -0.602 60.850 61.300 0.254 0.000 1.265 6 I CB 0.781 38.869 38.000 0.146 0.000 1.387 6 I HN 0.297 nan 8.210 nan 0.000 0.475 7 L N 7.993 129.191 121.223 -0.042 0.000 2.292 7 L HA 0.436 4.776 4.340 0.001 0.000 0.284 7 L C -0.830 176.018 176.870 -0.036 0.000 1.065 7 L CA 0.172 54.829 54.840 -0.306 0.000 0.806 7 L CB 0.860 42.308 42.059 -1.019 0.000 1.175 7 L HN 0.634 nan 8.230 nan 0.000 0.431 8 C N 5.023 124.339 119.300 0.027 0.000 2.301 8 C HA 0.611 5.071 4.460 0.001 0.000 0.323 8 C C -0.198 174.811 174.990 0.032 0.000 1.265 8 C CA -1.037 58.058 59.018 0.129 0.000 1.503 8 C CB 0.830 28.703 27.740 0.222 0.000 2.195 8 C HN 0.565 nan 8.230 nan 0.000 0.477 9 V N 4.251 124.142 119.914 -0.038 0.000 2.370 9 V HA 0.931 5.051 4.120 0.001 0.000 0.283 9 V C 0.687 176.727 176.094 -0.091 0.000 1.023 9 V CA 0.622 62.838 62.300 -0.139 0.000 0.857 9 V CB 0.787 32.512 31.823 -0.163 0.000 0.985 9 V HN 1.230 nan 8.190 nan 0.000 0.443 10 G N 4.045 112.798 108.800 -0.080 0.000 2.399 10 G HA2 0.317 4.277 3.960 0.001 0.000 0.256 10 G HA3 0.317 4.277 3.960 0.001 0.000 0.256 10 G C -1.575 173.409 174.900 0.139 0.000 1.236 10 G CA -0.949 44.166 45.100 0.025 0.000 0.914 10 G HN 0.503 nan 8.290 nan 0.000 0.482 11 L N 0.409 121.742 121.223 0.183 0.000 2.357 11 L HA 0.728 5.069 4.340 0.001 0.000 0.273 11 L C 0.091 177.115 176.870 0.256 0.000 1.080 11 L CA -0.990 53.970 54.840 0.200 0.000 0.803 11 L CB 1.543 43.678 42.059 0.126 0.000 1.174 11 L HN 0.398 nan 8.230 nan 0.000 0.443 12 V N 3.516 123.564 119.914 0.224 0.000 2.581 12 V HA 0.664 4.785 4.120 0.001 0.000 0.303 12 V C -0.516 175.606 176.094 0.046 0.000 1.041 12 V CA -0.309 62.020 62.300 0.047 0.000 0.907 12 V CB 2.170 33.983 31.823 -0.018 0.000 0.994 12 V HN 0.465 nan 8.190 nan 0.000 0.442 13 V N 6.515 126.438 119.914 0.015 0.000 2.841 13 V HA 0.453 4.573 4.120 0.001 0.000 0.310 13 V C -0.697 175.382 176.094 -0.025 0.000 1.090 13 V CA -0.790 61.510 62.300 0.001 0.000 0.930 13 V CB 1.822 33.682 31.823 0.062 0.000 1.014 13 V HN 0.844 nan 8.190 nan 0.000 0.425 14 L N 3.501 124.665 121.223 -0.098 0.000 2.281 14 L HA 0.582 4.923 4.340 0.001 0.000 0.285 14 L C -0.538 176.207 176.870 -0.207 0.000 1.074 14 L CA 0.412 55.151 54.840 -0.167 0.000 0.817 14 L CB 0.670 42.509 42.059 -0.367 0.000 1.168 14 L HN 0.564 nan 8.230 nan 0.000 0.434 15 D N 4.731 125.051 120.400 -0.134 0.000 2.274 15 D HA 0.275 4.916 4.640 0.001 0.000 0.239 15 D C -0.623 175.553 176.300 -0.207 0.000 1.104 15 D CA -0.005 53.926 54.000 -0.115 0.000 0.840 15 D CB 1.928 42.722 40.800 -0.010 0.000 1.100 15 D HN 0.275 nan 8.370 nan 0.000 0.477 16 V N 4.375 124.150 119.914 -0.230 0.000 2.304 16 V HA 0.280 4.400 4.120 0.001 0.000 0.269 16 V C 0.488 176.548 176.094 -0.056 0.000 1.036 16 V CA -0.609 61.568 62.300 -0.205 0.000 0.840 16 V CB 0.294 31.961 31.823 -0.260 0.000 1.036 16 V HN 0.374 nan 8.190 nan 0.000 0.466 17 I N 3.598 124.167 120.570 -0.001 0.000 2.304 17 I HA 0.314 4.484 4.170 0.001 0.000 0.291 17 I C 0.430 176.560 176.117 0.022 0.000 1.018 17 I CA 0.211 61.518 61.300 0.011 0.000 1.260 17 I CB 1.315 39.324 38.000 0.014 0.000 1.390 17 I HN 0.445 nan 8.210 nan 0.000 0.475 18 S N 7.109 122.816 115.700 0.012 0.000 2.438 18 S HA 0.461 4.932 4.470 0.001 0.000 0.293 18 S C -0.326 174.279 174.600 0.008 0.000 1.141 18 S CA -0.527 57.678 58.200 0.008 0.000 1.080 18 S CB 0.866 64.064 63.200 -0.004 0.000 0.978 18 S HN 0.274 nan 8.310 nan 0.000 0.479 19 L N 4.865 126.093 121.223 0.007 0.000 2.265 19 L HA 0.506 4.846 4.340 0.001 0.000 0.288 19 L C -0.208 176.664 176.870 0.004 0.000 1.058 19 L CA -0.119 54.726 54.840 0.007 0.000 0.809 19 L CB 1.142 43.204 42.059 0.005 0.000 1.179 19 L HN 0.513 nan 8.230 nan 0.000 0.429 20 V N 0.009 119.928 119.914 0.008 0.000 2.823 20 V HA 0.543 4.663 4.120 0.001 0.000 0.312 20 V C 0.415 176.516 176.094 0.012 0.000 1.072 20 V CA -0.734 61.567 62.300 0.000 0.000 0.937 20 V CB 1.818 33.630 31.823 -0.018 0.000 1.013 20 V HN 0.735 nan 8.190 nan 0.000 0.430 21 D N 0.957 121.361 120.400 0.007 0.000 2.348 21 D HA 0.030 4.670 4.640 0.001 0.000 0.216 21 D C 0.349 176.664 176.300 0.026 0.000 0.970 21 D CA 0.945 54.954 54.000 0.014 0.000 0.889 21 D CB 0.270 41.074 40.800 0.007 0.000 0.912 21 D HN 0.806 nan 8.370 nan 0.000 0.524 22 K N -1.542 118.877 120.400 0.033 0.000 2.578 22 K HA 0.205 4.525 4.320 0.001 0.000 0.269 22 K C -1.921 174.726 176.600 0.078 0.000 0.941 22 K CA -0.913 55.408 56.287 0.057 0.000 0.847 22 K CB 0.938 33.461 32.500 0.038 0.000 1.397 22 K HN -0.128 nan 8.250 nan 0.000 0.422 23 Y N 3.809 124.108 120.300 -0.002 0.000 2.442 23 Y HA 0.275 4.825 4.550 0.000 0.000 0.330 23 Y C -2.086 173.813 175.900 -0.001 0.000 1.129 23 Y CA -1.104 56.995 58.100 -0.001 0.000 1.365 23 Y CB 0.679 39.138 38.460 -0.001 0.000 1.233 23 Y HN 0.444 nan 8.280 nan 0.000 0.529 24 P HA 0.068 nan 4.420 nan 0.000 0.275 24 P C -1.006 176.150 177.300 -0.238 0.000 1.227 24 P CA -0.497 62.410 63.100 -0.321 0.000 0.781 24 P CB 0.813 32.312 31.700 -0.334 0.000 0.906 25 K N 2.511 122.859 120.400 -0.087 0.000 2.270 25 K HA 0.066 4.386 4.320 0.001 0.000 0.276 25 K C 0.114 176.689 176.600 -0.042 0.000 1.023 25 K CA -0.520 55.752 56.287 -0.024 0.000 0.955 25 K CB 0.078 32.576 32.500 -0.003 0.000 0.975 25 K HN 0.697 nan 8.250 nan 0.000 0.471 26 E N 1.888 122.082 120.200 -0.011 0.000 2.452 26 E HA -0.095 4.255 4.350 0.001 0.000 0.261 26 E C -0.233 176.357 176.600 -0.017 0.000 0.987 26 E CA 0.829 57.221 56.400 -0.013 0.000 0.926 26 E CB 0.261 29.968 29.700 0.012 0.000 0.934 26 E HN 0.793 nan 8.360 nan 0.000 0.452 27 D N 1.359 121.745 120.400 -0.024 0.000 2.911 27 D HA -0.176 4.464 4.640 0.001 0.000 0.199 27 D C -0.487 175.798 176.300 -0.025 0.000 1.041 27 D CA 1.385 55.372 54.000 -0.021 0.000 1.013 27 D CB -1.316 39.477 40.800 -0.012 0.000 1.093 27 D HN 0.449 nan 8.370 nan 0.000 0.431 28 S N -0.389 115.290 115.700 -0.034 0.000 2.707 28 S HA 0.606 5.076 4.470 0.001 0.000 0.276 28 S C 0.020 174.594 174.600 -0.042 0.000 1.179 28 S CA -0.560 57.619 58.200 -0.035 0.000 0.992 28 S CB 2.717 65.894 63.200 -0.037 0.000 1.030 28 S HN 0.255 nan 8.310 nan 0.000 0.554 29 E N 0.116 120.294 120.200 -0.037 0.000 2.199 29 E HA 0.630 4.980 4.350 0.001 0.000 0.265 29 E C -1.460 175.116 176.600 -0.039 0.000 0.882 29 E CA -0.725 55.652 56.400 -0.038 0.000 0.759 29 E CB 1.319 31.002 29.700 -0.030 0.000 1.148 29 E HN 0.710 nan 8.360 nan 0.000 0.412 30 I N 2.214 122.756 120.570 -0.045 0.000 2.785 30 I HA 0.446 4.617 4.170 0.001 0.000 0.302 30 I C -0.832 175.264 176.117 -0.035 0.000 1.069 30 I CA -0.838 60.437 61.300 -0.042 0.000 1.045 30 I CB 1.775 39.740 38.000 -0.057 0.000 1.236 30 I HN 0.339 nan 8.210 nan 0.000 0.429 31 R N 3.863 124.347 120.500 -0.027 0.000 2.308 31 R HA 0.327 4.667 4.340 0.001 0.000 0.305 31 R C -0.720 175.568 176.300 -0.020 0.000 1.053 31 R CA -0.556 55.531 56.100 -0.021 0.000 0.957 31 R CB 0.258 30.549 30.300 -0.016 0.000 1.022 31 R HN 0.698 nan 8.270 nan 0.000 0.461 32 C N 4.033 123.322 119.300 -0.019 0.000 2.629 32 C HA 0.148 4.609 4.460 0.001 0.000 0.410 32 C C 2.543 177.527 174.990 -0.009 0.000 1.339 32 C CA -0.442 58.568 59.018 -0.014 0.000 1.810 32 C CB -1.213 26.520 27.740 -0.010 0.000 2.549 32 C HN 0.893 nan 8.230 nan 0.000 0.589 33 L N 2.920 124.139 121.223 -0.006 0.000 2.046 33 L HA -0.052 4.288 4.340 0.001 0.000 0.208 33 L C 1.338 178.207 176.870 -0.002 0.000 1.077 33 L CA 1.510 56.348 54.840 -0.003 0.000 0.747 33 L CB -0.443 41.616 42.059 -0.001 0.000 0.896 33 L HN 0.920 nan 8.230 nan 0.000 0.432 34 S N -2.327 113.373 115.700 0.000 0.000 2.611 34 S HA 0.498 4.968 4.470 0.001 0.000 0.268 34 S C -1.055 173.551 174.600 0.011 0.000 1.156 34 S CA -0.923 57.280 58.200 0.004 0.000 0.817 34 S CB 2.550 65.753 63.200 0.005 0.000 1.122 34 S HN 0.114 nan 8.310 nan 0.000 0.466 35 Q N 0.286 120.097 119.800 0.018 0.000 2.284 35 Q HA 0.594 4.934 4.340 0.001 0.000 0.269 35 Q C -1.548 174.488 176.000 0.060 0.000 1.026 35 Q CA -0.559 55.266 55.803 0.038 0.000 0.831 35 Q CB 1.700 30.460 28.738 0.037 0.000 1.322 35 Q HN 0.896 nan 8.270 nan 0.000 0.419 36 R N 1.366 121.924 120.500 0.096 0.000 2.740 36 R HA 0.517 4.857 4.340 0.001 0.000 0.273 36 R C -1.648 174.802 176.300 0.250 0.000 0.998 36 R CA -0.767 55.417 56.100 0.141 0.000 0.900 36 R CB 0.999 31.360 30.300 0.103 0.000 1.223 36 R HN 0.303 nan 8.270 nan 0.000 0.466 37 W N 1.855 123.097 121.300 -0.097 0.000 2.315 37 W HA 0.366 5.026 4.660 0.001 0.000 0.316 37 W C -0.010 176.553 176.519 0.073 0.000 1.211 37 W CA 0.009 57.244 57.345 -0.184 0.000 1.201 37 W CB 1.267 30.332 29.460 -0.658 0.000 1.184 37 W HN 0.635 nan 8.180 nan 0.000 0.544 38 Q N 3.224 123.193 119.800 0.283 0.000 2.289 38 Q HA 0.356 4.696 4.340 0.001 0.000 0.270 38 Q C -0.489 175.715 176.000 0.339 0.000 1.038 38 Q CA -1.012 54.998 55.803 0.344 0.000 0.812 38 Q CB 1.792 30.625 28.738 0.158 0.000 1.300 38 Q HN 0.553 nan 8.270 nan 0.000 0.427 39 R N 1.934 122.653 120.500 0.364 0.000 2.537 39 R HA 0.532 4.872 4.340 0.001 0.000 0.280 39 R C -0.447 175.932 176.300 0.132 0.000 1.058 39 R CA 0.713 56.938 56.100 0.208 0.000 1.057 39 R CB 0.438 30.779 30.300 0.068 0.000 0.973 39 R HN 0.730 nan 8.270 nan 0.000 0.438 40 G N 0.795 109.636 108.800 0.069 0.000 3.166 40 G HA2 0.638 4.598 3.960 0.001 0.000 0.267 40 G HA3 0.638 4.598 3.960 0.001 0.000 0.267 40 G C -0.578 174.326 174.900 0.007 0.000 1.256 40 G CA -0.612 44.526 45.100 0.063 0.000 0.859 40 G HN 0.992 nan 8.290 nan 0.000 0.590 41 G N -0.867 107.958 108.800 0.041 0.000 3.067 41 G HA2 -0.043 3.917 3.960 0.001 0.000 0.686 41 G HA3 -0.043 3.917 3.960 0.001 0.000 0.686 41 G C 0.257 175.168 174.900 0.019 0.000 1.119 41 G CA 0.299 45.427 45.100 0.046 0.000 0.790 41 G HN 0.702 nan 8.290 nan 0.000 0.605 42 N N 0.793 119.518 118.700 0.043 0.000 2.025 42 N HA -0.063 4.678 4.740 0.001 0.000 0.194 42 N C 2.834 178.367 175.510 0.038 0.000 1.044 42 N CA 2.722 55.791 53.050 0.031 0.000 0.851 42 N CB -0.422 38.097 38.487 0.052 0.000 1.036 42 N HN 1.181 nan 8.380 nan 0.000 0.422 43 A N 0.218 123.107 122.820 0.114 0.000 1.902 43 A HA -0.141 4.179 4.320 0.001 0.000 0.217 43 A C 2.384 180.034 177.584 0.109 0.000 1.181 43 A CA 2.050 54.204 52.037 0.195 0.000 0.623 43 A CB -1.126 18.054 19.000 0.300 0.000 0.818 43 A HN 0.363 nan 8.150 nan 0.000 0.443 44 S N 0.478 116.138 115.700 -0.066 0.000 2.359 44 S HA -0.262 4.209 4.470 0.001 0.000 0.223 44 S C 1.913 176.328 174.600 -0.308 0.000 1.039 44 S CA 2.001 59.934 58.200 -0.444 0.000 1.042 44 S CB -0.641 62.215 63.200 -0.574 0.000 0.915 44 S HN 0.597 nan 8.310 nan 0.000 0.439 45 N N 1.141 119.694 118.700 -0.245 0.000 2.223 45 N HA 0.031 4.771 4.740 0.001 0.000 0.185 45 N C 1.973 177.225 175.510 -0.430 0.000 1.016 45 N CA 1.307 54.126 53.050 -0.385 0.000 0.863 45 N CB -0.868 37.432 38.487 -0.311 0.000 0.983 45 N HN 0.437 nan 8.380 nan 0.000 0.429 46 S N 0.125 115.665 115.700 -0.266 0.000 2.359 46 S HA -0.135 4.335 4.470 0.001 0.000 0.224 46 S C 2.256 176.717 174.600 -0.231 0.000 1.035 46 S CA 0.953 59.006 58.200 -0.244 0.000 1.018 46 S CB -0.439 62.672 63.200 -0.149 0.000 0.876 46 S HN 0.466 nan 8.310 nan 0.000 0.448 47 C N 1.373 120.569 119.300 -0.173 0.000 2.413 47 C HA -0.077 4.383 4.460 0.001 0.000 0.277 47 C C 2.937 177.783 174.990 -0.241 0.000 1.265 47 C CA 1.184 60.118 59.018 -0.140 0.000 1.752 47 C CB -1.749 25.952 27.740 -0.064 0.000 1.998 47 C HN 0.629 nan 8.230 nan 0.000 0.489 48 T N 1.588 115.893 114.554 -0.414 0.000 2.652 48 T HA -0.131 4.219 4.350 0.001 0.000 0.267 48 T C 1.703 176.108 174.700 -0.493 0.000 1.039 48 T CA 1.418 63.130 62.100 -0.646 0.000 1.153 48 T CB -0.209 68.144 68.868 -0.859 0.000 0.863 48 T HN 0.303 nan 8.240 nan 0.000 0.428 49 I N 1.092 121.376 120.570 -0.477 0.000 2.179 49 I HA -0.065 4.106 4.170 0.001 0.000 0.242 49 I C 2.440 178.387 176.117 -0.283 0.000 1.088 49 I CA 1.174 62.255 61.300 -0.366 0.000 1.357 49 I CB -1.420 36.352 38.000 -0.380 0.000 1.051 49 I HN 0.258 nan 8.210 nan 0.000 0.409 50 L N 0.201 121.276 121.223 -0.246 0.000 2.012 50 L HA -0.258 4.082 4.340 0.001 0.000 0.210 50 L C 2.820 179.599 176.870 -0.151 0.000 1.073 50 L CA 1.792 56.520 54.840 -0.188 0.000 0.748 50 L CB -0.639 41.359 42.059 -0.101 0.000 0.891 50 L HN 0.275 nan 8.230 nan 0.000 0.431 51 S N 0.064 115.704 115.700 -0.101 0.000 2.356 51 S HA -0.162 4.309 4.470 0.001 0.000 0.223 51 S C 2.045 176.632 174.600 -0.021 0.000 1.032 51 S CA 1.112 59.304 58.200 -0.014 0.000 1.005 51 S CB -0.257 62.988 63.200 0.075 0.000 0.867 51 S HN 0.313 nan 8.310 nan 0.000 0.449 52 L N 0.805 122.000 121.223 -0.047 0.000 2.079 52 L HA -0.085 4.255 4.340 0.001 0.000 0.210 52 L C 2.267 179.064 176.870 -0.122 0.000 1.081 52 L CA 1.211 56.030 54.840 -0.034 0.000 0.752 52 L CB -0.440 41.594 42.059 -0.042 0.000 0.896 52 L HN 0.383 nan 8.230 nan 0.000 0.433 53 L N -0.787 120.277 121.223 -0.266 0.000 2.478 53 L HA 0.035 4.376 4.340 0.001 0.000 0.223 53 L C 1.418 178.049 176.870 -0.399 0.000 1.140 53 L CA 0.676 55.222 54.840 -0.489 0.000 0.842 53 L CB -0.387 41.065 42.059 -1.012 0.000 0.953 53 L HN 0.526 nan 8.230 nan 0.000 0.452 54 G N -0.074 108.615 108.800 -0.184 0.000 2.131 54 G HA2 -0.197 3.763 3.960 0.001 0.000 0.223 54 G HA3 -0.197 3.763 3.960 0.001 0.000 0.223 54 G C 0.198 175.139 174.900 0.069 0.000 0.990 54 G CA -0.099 44.984 45.100 -0.028 0.000 0.671 54 G HN 0.447 nan 8.290 nan 0.000 0.521 55 A N 0.629 123.490 122.820 0.068 0.000 2.276 55 A HA 0.764 5.085 4.320 0.001 0.000 0.300 55 A C -1.766 175.880 177.584 0.104 0.000 1.235 55 A CA -1.383 50.754 52.037 0.167 0.000 0.867 55 A CB 0.625 19.781 19.000 0.259 0.000 1.137 55 A HN 0.111 nan 8.150 nan 0.000 0.527 56 P HA 0.174 nan 4.420 nan 0.000 0.261 56 P C -0.256 177.129 177.300 0.142 0.000 1.183 56 P CA 0.275 63.444 63.100 0.116 0.000 0.761 56 P CB 0.025 31.794 31.700 0.115 0.000 0.785 57 C N 1.734 121.118 119.300 0.140 0.000 3.090 57 C HA 0.944 5.404 4.460 0.001 0.000 0.305 57 C C -0.745 174.358 174.990 0.190 0.000 1.292 57 C CA -1.052 58.060 59.018 0.157 0.000 1.482 57 C CB 1.341 29.140 27.740 0.097 0.000 1.897 57 C HN 0.623 nan 8.230 nan 0.000 0.469 58 A N 1.077 124.023 122.820 0.209 0.000 2.401 58 A HA 0.904 5.225 4.320 0.001 0.000 0.310 58 A C -1.242 176.466 177.584 0.206 0.000 1.075 58 A CA -0.342 51.836 52.037 0.234 0.000 0.746 58 A CB 1.313 20.530 19.000 0.363 0.000 1.277 58 A HN 1.584 nan 8.150 nan 0.000 0.425 65 P HA 0.482 nan 4.420 nan 0.000 0.266 65 P C 0.711 178.074 177.300 0.104 0.000 1.193 65 P CA 1.432 64.640 63.100 0.181 0.000 0.770 65 P CB 0.809 32.564 31.700 0.091 0.000 0.836 66 G N 0.579 109.423 108.800 0.073 0.000 2.362 66 G HA2 -0.041 3.919 3.960 0.001 0.000 0.288 66 G HA3 -0.041 3.919 3.960 0.001 0.000 0.288 66 G C 0.062 174.988 174.900 0.042 0.000 1.305 66 G CA -0.507 44.605 45.100 0.020 0.000 0.910 66 G HN 0.519 nan 8.290 nan 0.000 0.518 67 H N -0.988 118.170 119.070 0.147 0.000 2.299 67 H HA 0.019 4.576 4.556 0.001 0.000 0.302 67 H C 2.777 178.269 175.328 0.273 0.000 1.078 67 H CA 2.232 58.393 56.048 0.189 0.000 1.323 67 H CB -0.015 29.855 29.762 0.181 0.000 1.381 67 H HN 0.230 nan 8.280 nan 0.000 0.498 68 V N 0.882 121.025 119.914 0.382 0.000 2.287 68 V HA -0.317 3.803 4.120 0.001 0.000 0.248 68 V C 2.602 178.876 176.094 0.300 0.000 1.053 68 V CA 1.729 64.221 62.300 0.319 0.000 1.027 68 V CB -1.041 30.858 31.823 0.127 0.000 0.646 68 V HN 0.598 nan 8.190 nan 0.000 0.447 69 A N 0.004 122.955 122.820 0.218 0.000 1.892 69 A HA -0.303 4.017 4.320 0.001 0.000 0.218 69 A C 2.018 179.727 177.584 0.208 0.000 1.188 69 A CA 2.214 54.365 52.037 0.190 0.000 0.631 69 A CB -0.762 18.350 19.000 0.187 0.000 0.822 69 A HN 0.565 nan 8.150 nan 0.000 0.447 70 D N -1.268 119.263 120.400 0.219 0.000 2.149 70 D HA -0.154 4.486 4.640 0.001 0.000 0.198 70 D C 1.617 178.051 176.300 0.223 0.000 0.990 70 D CA 1.415 55.532 54.000 0.195 0.000 0.839 70 D CB -0.413 40.490 40.800 0.172 0.000 0.948 70 D HN 0.517 nan 8.370 nan 0.000 0.460 71 F N 1.725 121.795 119.950 0.199 0.000 2.084 71 F HA -0.212 4.316 4.527 0.001 0.000 0.296 71 F C 2.283 178.182 175.800 0.164 0.000 1.111 71 F CA 1.484 59.616 58.000 0.221 0.000 1.224 71 F CB -0.382 38.854 39.000 0.394 0.000 0.991 71 F HN -0.097 nan 8.300 nan 0.000 0.471 72 V N -0.797 119.196 119.914 0.131 0.000 2.453 72 V HA -0.191 3.930 4.120 0.001 0.000 0.247 72 V C 2.278 178.336 176.094 -0.060 0.000 1.048 72 V CA 1.773 64.062 62.300 -0.019 0.000 1.049 72 V CB -1.238 30.633 31.823 0.081 0.000 0.672 72 V HN 0.453 nan 8.190 nan 0.000 0.457 73 L N 0.291 121.527 121.223 0.021 0.000 2.017 73 L HA -0.145 4.195 4.340 0.001 0.000 0.208 73 L C 2.727 179.601 176.870 0.007 0.000 1.073 73 L CA 2.146 57.011 54.840 0.042 0.000 0.745 73 L CB -0.918 41.208 42.059 0.112 0.000 0.894 73 L HN 0.295 nan 8.230 nan 0.000 0.432 74 D N -0.148 120.242 120.400 -0.017 0.000 2.133 74 D HA -0.245 4.395 4.640 0.001 0.000 0.195 74 D C 1.753 177.997 176.300 -0.093 0.000 0.997 74 D CA 1.731 55.703 54.000 -0.048 0.000 0.840 74 D CB -0.193 40.576 40.800 -0.052 0.000 0.947 74 D HN 0.372 nan 8.370 nan 0.000 0.452 75 D N -0.342 119.951 120.400 -0.178 0.000 2.103 75 D HA -0.049 4.591 4.640 0.001 0.000 0.199 75 D C 2.291 178.619 176.300 0.046 0.000 0.978 75 D CA 0.414 54.339 54.000 -0.126 0.000 0.829 75 D CB -0.067 40.573 40.800 -0.266 0.000 0.981 75 D HN 0.043 nan 8.370 nan 0.000 0.464 76 L N 0.146 121.369 121.223 0.001 0.000 2.051 76 L HA -0.224 4.116 4.340 0.001 0.000 0.214 76 L C 2.609 179.530 176.870 0.084 0.000 1.076 76 L CA 1.430 56.293 54.840 0.038 0.000 0.758 76 L CB -0.350 41.699 42.059 -0.018 0.000 0.890 76 L HN 0.074 nan 8.230 nan 0.000 0.433 77 R N -0.812 119.713 120.500 0.042 0.000 2.115 77 R HA -0.150 4.190 4.340 0.001 0.000 0.230 77 R C 2.357 178.653 176.300 -0.006 0.000 1.111 77 R CA 1.009 57.126 56.100 0.029 0.000 0.976 77 R CB -0.355 29.954 30.300 0.016 0.000 0.870 77 R HN 0.310 nan 8.270 nan 0.000 0.445 78 R N 0.395 120.864 120.500 -0.052 0.000 2.105 78 R HA -0.171 4.169 4.340 0.001 0.000 0.239 78 R C 0.897 177.008 176.300 -0.314 0.000 1.135 78 R CA 1.570 57.553 56.100 -0.195 0.000 0.967 78 R CB -0.103 30.039 30.300 -0.265 0.000 0.861 78 R HN 0.258 nan 8.270 nan 0.000 0.442 79 Y N 0.441 120.724 120.300 -0.029 0.000 2.471 79 Y HA 0.206 4.756 4.550 0.001 0.000 0.286 79 Y C 0.636 176.529 175.900 -0.012 0.000 1.188 79 Y CA 0.342 58.426 58.100 -0.025 0.000 1.286 79 Y CB 0.507 38.941 38.460 -0.042 0.000 1.072 79 Y HN -0.007 nan 8.280 nan 0.000 0.517 80 S N -0.356 115.392 115.700 0.080 0.000 3.641 80 S HA -0.138 4.332 4.470 0.001 0.000 0.346 80 S C -0.038 174.618 174.600 0.093 0.000 1.074 80 S CA 0.268 58.508 58.200 0.066 0.000 1.026 80 S CB -2.021 61.207 63.200 0.046 0.000 0.908 80 S HN 0.140 nan 8.310 nan 0.000 0.479 81 V N 2.039 122.019 119.914 0.111 0.000 2.530 81 V HA 0.221 4.341 4.120 0.001 0.000 0.282 81 V C 0.783 176.955 176.094 0.130 0.000 1.048 81 V CA -0.591 61.781 62.300 0.120 0.000 0.997 81 V CB 1.324 33.213 31.823 0.109 0.000 0.987 81 V HN 0.444 nan 8.190 nan 0.000 0.477 82 D N 4.188 124.679 120.400 0.151 0.000 2.371 82 D HA 0.150 4.791 4.640 0.001 0.000 0.256 82 D C 0.327 176.727 176.300 0.167 0.000 1.193 82 D CA 0.088 54.176 54.000 0.147 0.000 0.881 82 D CB 1.202 42.107 40.800 0.176 0.000 1.143 82 D HN 0.477 nan 8.370 nan 0.000 0.473 83 L N 4.689 125.988 121.223 0.126 0.000 2.818 83 L HA 0.167 4.507 4.340 0.001 0.000 0.243 83 L C 2.276 179.185 176.870 0.066 0.000 1.185 83 L CA -0.307 54.614 54.840 0.135 0.000 0.988 83 L CB 0.081 42.227 42.059 0.145 0.000 1.292 83 L HN 0.372 nan 8.230 nan 0.000 0.519 84 R N -0.722 119.760 120.500 -0.029 0.000 2.189 84 R HA -0.152 4.188 4.340 0.001 0.000 0.223 84 R C 0.637 176.758 176.300 -0.298 0.000 1.092 84 R CA 1.403 57.383 56.100 -0.199 0.000 0.989 84 R CB -0.342 29.745 30.300 -0.355 0.000 0.876 84 R HN 0.243 nan 8.270 nan 0.000 0.457 85 Y N 1.945 122.282 120.300 0.063 0.000 2.625 85 Y HA 0.251 4.801 4.550 0.001 0.000 0.285 85 Y C 0.064 175.929 175.900 -0.058 0.000 1.168 85 Y CA -0.536 57.570 58.100 0.010 0.000 1.250 85 Y CB 0.297 38.757 38.460 0.001 0.000 1.130 85 Y HN -0.073 nan 8.280 nan 0.000 0.526 86 T N 1.093 115.673 114.554 0.044 0.000 2.908 86 T HA 0.144 4.495 4.350 0.001 0.000 0.301 86 T C 0.247 174.914 174.700 -0.055 0.000 1.019 86 T CA 0.089 62.138 62.100 -0.084 0.000 1.152 86 T CB 0.909 69.682 68.868 -0.159 0.000 0.966 86 T HN -0.115 nan 8.240 nan 0.000 0.540 87 V N 5.181 125.020 119.914 -0.125 0.000 2.277 87 V HA 0.292 4.412 4.120 0.001 0.000 0.269 87 V C -0.012 176.031 176.094 -0.085 0.000 1.036 87 V CA -0.777 61.505 62.300 -0.030 0.000 0.821 87 V CB -0.704 31.108 31.823 -0.017 0.000 1.052 87 V HN 0.716 nan 8.190 nan 0.000 0.462 88 F N 2.974 122.944 119.950 0.034 0.000 2.506 88 F HA 0.356 4.883 4.527 0.001 0.000 0.351 88 F C 0.943 176.757 175.800 0.024 0.000 1.136 88 F CA 0.464 58.483 58.000 0.032 0.000 1.298 88 F CB 0.612 39.630 39.000 0.029 0.000 1.145 88 F HN 0.374 nan 8.300 nan 0.000 0.593 89 Q N 0.521 120.434 119.800 0.188 0.000 2.413 89 Q HA 0.269 4.610 4.340 0.001 0.000 0.276 89 Q C 0.509 176.571 176.000 0.104 0.000 1.099 89 Q CA -0.356 55.511 55.803 0.106 0.000 0.814 89 Q CB 1.811 30.581 28.738 0.053 0.000 1.379 89 Q HN 0.755 nan 8.270 nan 0.000 0.436 90 T N -3.342 111.253 114.554 0.069 0.000 3.060 90 T HA 0.100 4.450 4.350 0.001 0.000 0.249 90 T C 0.705 175.429 174.700 0.040 0.000 1.079 90 T CA 0.353 62.485 62.100 0.053 0.000 1.013 90 T CB 0.011 68.903 68.868 0.039 0.000 0.975 90 T HN 0.624 nan 8.240 nan 0.000 0.518 91 T N -1.806 112.769 114.554 0.035 0.000 2.906 91 T HA 0.701 5.051 4.350 0.001 0.000 0.295 91 T C 0.331 175.042 174.700 0.018 0.000 1.075 91 T CA -0.311 61.802 62.100 0.023 0.000 1.005 91 T CB 1.578 70.454 68.868 0.014 0.000 1.136 91 T HN 1.120 nan 8.240 nan 0.000 0.498 92 G N 0.848 109.652 108.800 0.007 0.000 2.795 92 G HA2 0.274 4.235 3.960 0.001 0.000 0.664 92 G HA3 0.274 4.235 3.960 0.001 0.000 0.664 92 G C -0.528 174.369 174.900 -0.004 0.000 1.381 92 G CA -0.398 44.695 45.100 -0.011 0.000 0.853 92 G HN 1.448 nan 8.290 nan 0.000 0.545 93 S N -1.771 113.911 115.700 -0.030 0.000 2.651 93 S HA 0.704 5.174 4.470 0.001 0.000 0.279 93 S C -0.001 174.572 174.600 -0.045 0.000 1.148 93 S CA -0.371 57.818 58.200 -0.018 0.000 0.837 93 S CB 1.950 65.143 63.200 -0.013 0.000 1.138 93 S HN 1.415 nan 8.310 nan 0.000 0.478 94 V N 4.219 124.118 119.914 -0.025 0.000 2.540 94 V HA 0.172 4.293 4.120 0.001 0.000 0.297 94 V C -1.810 174.217 176.094 -0.110 0.000 1.024 94 V CA -0.871 61.405 62.300 -0.039 0.000 1.105 94 V CB -0.194 31.627 31.823 -0.004 0.000 0.938 94 V HN 0.660 nan 8.190 nan 0.000 0.482 95 P HA 0.280 nan 4.420 nan 0.000 0.272 95 P C -0.727 176.387 177.300 -0.310 0.000 1.223 95 P CA -0.082 62.843 63.100 -0.293 0.000 0.784 95 P CB 0.950 32.460 31.700 -0.318 0.000 0.923 96 I N 0.975 121.332 120.570 -0.355 0.000 2.406 96 I HA 0.480 4.650 4.170 0.001 0.000 0.290 96 I C 0.156 176.079 176.117 -0.323 0.000 0.999 96 I CA -0.974 60.158 61.300 -0.279 0.000 1.124 96 I CB 1.886 39.795 38.000 -0.153 0.000 1.289 96 I HN 0.280 nan 8.210 nan 0.000 0.441 97 A N 4.330 127.002 122.820 -0.246 0.000 2.267 97 A HA 0.609 4.930 4.320 0.001 0.000 0.315 97 A C -0.131 177.407 177.584 -0.077 0.000 1.297 97 A CA -0.425 51.537 52.037 -0.124 0.000 0.865 97 A CB 0.485 19.489 19.000 0.008 0.000 1.165 97 A HN 0.650 nan 8.150 nan 0.000 0.513 98 T N 2.671 117.199 114.554 -0.043 0.000 2.729 98 T HA 0.445 4.795 4.350 0.001 0.000 0.296 98 T C -0.111 174.590 174.700 0.002 0.000 0.928 98 T CA 0.024 62.102 62.100 -0.038 0.000 1.045 98 T CB 0.372 69.216 68.868 -0.038 0.000 0.902 98 T HN 0.399 nan 8.240 nan 0.000 0.500 99 V N 5.733 125.647 119.914 -0.001 0.000 2.409 99 V HA 0.465 4.585 4.120 0.001 0.000 0.291 99 V C 0.015 176.124 176.094 0.025 0.000 1.020 99 V CA -0.888 61.426 62.300 0.024 0.000 0.848 99 V CB 1.547 33.383 31.823 0.021 0.000 0.990 99 V HN 0.799 nan 8.190 nan 0.000 0.430 100 I N 5.857 126.457 120.570 0.050 0.000 2.312 100 I HA 0.446 4.616 4.170 0.001 0.000 0.290 100 I C -0.441 175.720 176.117 0.075 0.000 1.008 100 I CA -0.209 61.123 61.300 0.054 0.000 1.226 100 I CB 1.260 39.302 38.000 0.069 0.000 1.371 100 I HN 0.446 nan 8.210 nan 0.000 0.468 101 I N 6.156 126.755 120.570 0.049 0.000 2.339 101 I HA 0.209 4.379 4.170 0.001 0.000 0.290 101 I C 0.073 176.224 176.117 0.056 0.000 0.994 101 I CA -0.526 60.803 61.300 0.048 0.000 1.191 101 I CB 1.273 39.284 38.000 0.019 0.000 1.343 101 I HN 0.512 nan 8.210 nan 0.000 0.458 102 N N 4.301 123.047 118.700 0.076 0.000 2.420 102 N HA 0.033 4.773 4.740 0.001 0.000 0.249 102 N C 0.785 176.321 175.510 0.043 0.000 1.033 102 N CA 0.093 53.190 53.050 0.078 0.000 0.944 102 N CB 1.074 39.634 38.487 0.122 0.000 1.113 102 N HN 0.401 nan 8.380 nan 0.000 0.502 103 E N 2.038 122.257 120.200 0.032 0.000 2.265 103 E HA -0.087 4.264 4.350 0.001 0.000 0.196 103 E C 1.657 178.268 176.600 0.019 0.000 0.996 103 E CA 1.111 57.523 56.400 0.019 0.000 0.832 103 E CB -0.288 29.420 29.700 0.014 0.000 0.756 103 E HN 0.747 nan 8.360 nan 0.000 0.491 104 A N 0.681 123.516 122.820 0.025 0.000 2.066 104 A HA -0.071 4.250 4.320 0.001 0.000 0.218 104 A C 2.170 179.764 177.584 0.017 0.000 1.157 104 A CA 1.706 53.757 52.037 0.022 0.000 0.670 104 A CB -0.129 18.888 19.000 0.029 0.000 0.804 104 A HN 0.465 nan 8.150 nan 0.000 0.453 105 S N -4.671 111.039 115.700 0.017 0.000 2.648 105 S HA 0.414 4.885 4.470 0.001 0.000 0.270 105 S C 1.344 175.947 174.600 0.005 0.000 1.080 105 S CA 1.110 59.315 58.200 0.008 0.000 1.159 105 S CB -0.088 63.112 63.200 0.001 0.000 1.091 105 S HN 1.889 nan 8.310 nan 0.000 0.605 106 G N 2.379 111.185 108.800 0.009 0.000 2.162 106 G HA2 -0.312 3.648 3.960 0.001 0.000 0.260 106 G HA3 -0.312 3.648 3.960 0.001 0.000 0.260 106 G C 0.242 175.143 174.900 0.003 0.000 0.976 106 G CA 0.412 45.515 45.100 0.005 0.000 0.655 106 G HN 1.629 nan 8.290 nan 0.000 0.533 107 S N -0.565 115.136 115.700 0.003 0.000 2.566 107 S HA 0.527 4.998 4.470 0.001 0.000 0.280 107 S C 0.324 174.934 174.600 0.016 0.000 1.343 107 S CA 0.616 58.812 58.200 -0.007 0.000 1.036 107 S CB 1.073 64.253 63.200 -0.033 0.000 0.866 107 S HN 1.385 nan 8.310 nan 0.000 0.526 108 R N 0.193 120.700 120.500 0.011 0.000 2.476 108 R HA 0.646 4.986 4.340 0.001 0.000 0.305 108 R C -1.241 175.082 176.300 0.040 0.000 0.965 108 R CA -0.575 55.544 56.100 0.031 0.000 0.867 108 R CB 0.950 31.264 30.300 0.022 0.000 1.176 108 R HN 0.504 nan 8.270 nan 0.000 0.447 109 T N 4.485 119.087 114.554 0.081 0.000 2.797 109 T HA 0.537 4.887 4.350 0.001 0.000 0.279 109 T C -0.088 174.668 174.700 0.094 0.000 0.991 109 T CA -0.582 61.578 62.100 0.100 0.000 0.979 109 T CB 0.839 69.833 68.868 0.209 0.000 0.943 109 T HN 0.498 nan 8.240 nan 0.000 0.444 110 I N 3.566 124.187 120.570 0.085 0.000 2.418 110 I HA 0.339 4.510 4.170 0.001 0.000 0.287 110 I C -1.084 175.097 176.117 0.108 0.000 1.008 110 I CA -0.907 60.449 61.300 0.093 0.000 1.104 110 I CB 1.579 39.642 38.000 0.104 0.000 1.264 110 I HN 0.299 nan 8.210 nan 0.000 0.438 111 L N 7.580 128.861 121.223 0.097 0.000 2.283 111 L HA 0.323 4.663 4.340 0.001 0.000 0.281 111 L C -0.639 176.311 176.870 0.133 0.000 1.033 111 L CA -0.265 54.635 54.840 0.101 0.000 0.848 111 L CB 0.240 42.330 42.059 0.052 0.000 1.226 111 L HN 0.385 nan 8.230 nan 0.000 0.429 112 Y N 3.471 123.799 120.300 0.047 0.000 2.336 112 Y HA 0.310 4.860 4.550 0.000 0.000 0.335 112 Y C -0.896 175.078 175.900 0.124 0.000 1.046 112 Y CA -0.283 57.852 58.100 0.059 0.000 1.198 112 Y CB 0.696 39.175 38.460 0.032 0.000 1.182 112 Y HN 0.503 nan 8.280 nan 0.000 0.502 113 Y N 6.291 126.385 120.300 -0.344 0.000 2.345 113 Y HA 0.289 4.839 4.550 0.001 0.000 0.331 113 Y C -0.806 174.912 175.900 -0.304 0.000 0.959 113 Y CA -1.825 56.150 58.100 -0.208 0.000 1.204 113 Y CB 0.550 38.914 38.460 -0.161 0.000 1.135 113 Y HN 0.720 nan 8.280 nan 0.000 0.477 114 D N 3.953 124.192 120.400 -0.270 0.000 2.350 114 D HA 0.264 4.904 4.640 0.001 0.000 0.249 114 D C 0.121 176.064 176.300 -0.595 0.000 1.119 114 D CA 0.086 53.927 54.000 -0.265 0.000 0.886 114 D CB 0.754 41.557 40.800 0.005 0.000 1.195 114 D HN 0.672 nan 8.370 nan 0.000 0.437 115 R N 1.958 122.197 120.500 -0.435 0.000 2.662 115 R HA 0.165 4.505 4.340 0.001 0.000 0.396 115 R C -0.215 175.975 176.300 -0.183 0.000 1.096 115 R CA -0.227 55.632 56.100 -0.402 0.000 1.081 115 R CB 0.184 30.255 30.300 -0.382 0.000 1.382 115 R HN 0.496 nan 8.270 nan 0.000 0.580 116 S N 0.650 116.270 115.700 -0.133 0.000 3.561 116 S HA -0.169 4.301 4.470 0.001 0.000 0.318 116 S C 0.059 174.632 174.600 -0.045 0.000 1.181 116 S CA 0.385 58.544 58.200 -0.068 0.000 0.916 116 S CB -1.239 61.929 63.200 -0.054 0.000 0.966 116 S HN 0.355 nan 8.310 nan 0.000 0.550 117 L N 2.664 123.860 121.223 -0.045 0.000 2.410 117 L HA 0.392 4.732 4.340 0.001 0.000 0.273 117 L C -1.888 174.972 176.870 -0.018 0.000 1.144 117 L CA -1.241 53.585 54.840 -0.024 0.000 0.863 117 L CB -0.146 41.900 42.059 -0.021 0.000 1.140 117 L HN -0.113 nan 8.230 nan 0.000 0.463 118 P HA 0.076 nan 4.420 nan 0.000 0.267 118 P C -1.156 176.132 177.300 -0.020 0.000 1.200 118 P CA -0.090 63.001 63.100 -0.014 0.000 0.772 118 P CB 0.420 32.117 31.700 -0.006 0.000 0.855 119 D N 0.514 120.898 120.400 -0.028 0.000 2.283 119 D HA 0.120 4.761 4.640 0.001 0.000 0.248 119 D C -0.049 176.226 176.300 -0.041 0.000 1.072 119 D CA -0.305 53.672 54.000 -0.038 0.000 0.929 119 D CB 0.915 41.685 40.800 -0.050 0.000 1.182 119 D HN -0.006 nan 8.370 nan 0.000 0.433 120 V N 2.097 121.979 119.914 -0.054 0.000 2.539 120 V HA -0.017 4.104 4.120 0.001 0.000 0.300 120 V C 1.043 177.109 176.094 -0.046 0.000 1.019 120 V CA 0.364 62.633 62.300 -0.050 0.000 1.160 120 V CB 0.111 31.890 31.823 -0.074 0.000 0.901 120 V HN 0.590 nan 8.190 nan 0.000 0.481 121 S N 4.607 120.294 115.700 -0.022 0.000 2.730 121 S HA 0.677 5.148 4.470 0.001 0.000 0.284 121 S C 1.196 175.797 174.600 0.002 0.000 1.153 121 S CA -0.168 58.019 58.200 -0.022 0.000 0.995 121 S CB 1.832 65.025 63.200 -0.012 0.000 1.058 121 S HN 0.922 nan 8.310 nan 0.000 0.552 122 A N 0.809 123.623 122.820 -0.010 0.000 1.969 122 A HA 0.050 4.370 4.320 0.001 0.000 0.218 122 A C 2.128 179.752 177.584 0.066 0.000 1.169 122 A CA 1.875 53.925 52.037 0.021 0.000 0.635 122 A CB -1.796 17.193 19.000 -0.018 0.000 0.810 122 A HN 0.868 nan 8.150 nan 0.000 0.445 123 T N 0.445 115.020 114.554 0.034 0.000 2.746 123 T HA -0.129 4.221 4.350 0.001 0.000 0.267 123 T C 1.475 176.194 174.700 0.032 0.000 1.039 123 T CA 1.504 63.621 62.100 0.029 0.000 1.142 123 T CB -0.405 68.473 68.868 0.017 0.000 0.866 123 T HN 0.470 nan 8.240 nan 0.000 0.444 124 D N 0.605 121.029 120.400 0.039 0.000 2.104 124 D HA -0.077 4.563 4.640 0.001 0.000 0.194 124 D C 1.700 178.016 176.300 0.027 0.000 0.994 124 D CA 0.931 54.955 54.000 0.039 0.000 0.830 124 D CB -0.484 40.339 40.800 0.039 0.000 0.959 124 D HN 0.337 nan 8.370 nan 0.000 0.452 125 F N 2.007 121.903 119.950 -0.090 0.000 2.234 125 F HA -0.173 4.354 4.527 0.001 0.000 0.299 125 F C 2.387 178.119 175.800 -0.115 0.000 1.087 125 F CA 1.057 58.977 58.000 -0.132 0.000 1.340 125 F CB -0.119 38.798 39.000 -0.138 0.000 1.031 125 F HN -0.205 nan 8.300 nan 0.000 0.500 126 E N 0.224 120.405 120.200 -0.031 0.000 2.171 126 E HA -0.264 4.087 4.350 0.001 0.000 0.197 126 E C 1.979 178.490 176.600 -0.148 0.000 0.997 126 E CA 1.690 58.047 56.400 -0.071 0.000 0.810 126 E CB -0.494 29.206 29.700 0.001 0.000 0.738 126 E HN 0.564 nan 8.360 nan 0.000 0.467 127 K N -0.083 120.234 120.400 -0.137 0.000 2.432 127 K HA 0.072 4.392 4.320 0.001 0.000 0.196 127 K C 0.561 177.073 176.600 -0.148 0.000 1.038 127 K CA 0.077 56.313 56.287 -0.085 0.000 0.986 127 K CB 0.282 32.787 32.500 0.009 0.000 0.782 127 K HN 0.116 nan 8.250 nan 0.000 0.485 128 V N 2.992 122.635 119.914 -0.451 0.000 2.479 128 V HA -0.041 4.079 4.120 0.001 0.000 0.281 128 V C 0.179 176.060 176.094 -0.356 0.000 1.031 128 V CA -0.350 61.528 62.300 -0.702 0.000 1.038 128 V CB 0.697 31.825 31.823 -1.157 0.000 0.981 128 V HN 0.169 nan 8.190 nan 0.000 0.478 129 D N 4.606 124.941 120.400 -0.108 0.000 2.336 129 D HA 0.154 4.794 4.640 0.001 0.000 0.249 129 D C 0.909 177.129 176.300 -0.133 0.000 1.213 129 D CA -0.058 53.897 54.000 -0.074 0.000 0.870 129 D CB 1.265 42.067 40.800 0.004 0.000 1.076 129 D HN 0.473 nan 8.370 nan 0.000 0.483 130 L N 2.976 124.094 121.223 -0.175 0.000 2.465 130 L HA -0.108 4.232 4.340 0.001 0.000 0.224 130 L C 2.441 179.209 176.870 -0.170 0.000 1.145 130 L CA 0.994 55.711 54.840 -0.206 0.000 0.834 130 L CB -0.461 41.241 42.059 -0.595 0.000 0.944 130 L HN 0.489 nan 8.230 nan 0.000 0.451 131 T N -3.371 111.113 114.554 -0.116 0.000 3.025 131 T HA -0.262 4.088 4.350 0.001 0.000 0.270 131 T C 1.665 176.266 174.700 -0.165 0.000 1.126 131 T CA 1.156 63.221 62.100 -0.058 0.000 1.105 131 T CB -0.129 68.730 68.868 -0.016 0.000 0.884 131 T HN 0.415 nan 8.240 nan 0.000 0.522 132 Q N -0.388 119.158 119.800 -0.424 0.000 2.389 132 Q HA 0.174 4.515 4.340 0.001 0.000 0.204 132 Q C -0.668 174.982 176.000 -0.584 0.000 0.944 132 Q CA 0.395 55.807 55.803 -0.652 0.000 0.908 132 Q CB 0.118 28.177 28.738 -1.131 0.000 1.002 132 Q HN 0.603 nan 8.270 nan 0.000 0.493 133 F N -0.056 119.928 119.950 0.057 0.000 2.532 133 F HA 0.308 4.836 4.527 0.001 0.000 0.321 133 F C 0.634 176.491 175.800 0.096 0.000 1.089 133 F CA -1.120 56.932 58.000 0.086 0.000 0.926 133 F CB 1.624 40.671 39.000 0.078 0.000 1.168 133 F HN -0.131 nan 8.300 nan 0.000 0.459 134 K N 0.584 121.189 120.400 0.341 0.000 2.354 134 K HA 0.117 4.437 4.320 0.001 0.000 0.194 134 K C -0.362 176.430 176.600 0.321 0.000 1.045 134 K CA 0.199 56.648 56.287 0.270 0.000 1.026 134 K CB 1.226 33.868 32.500 0.237 0.000 0.866 134 K HN 0.538 nan 8.250 nan 0.000 0.530 135 W N 1.332 122.728 121.300 0.159 0.000 3.259 135 W HA 0.469 5.130 4.660 0.000 0.000 0.331 135 W C -2.111 174.464 176.519 0.093 0.000 1.144 135 W CA -1.215 56.202 57.345 0.121 0.000 1.227 135 W CB 1.382 30.907 29.460 0.108 0.000 1.371 135 W HN -0.140 nan 8.180 nan 0.000 0.491 136 I N 5.008 125.679 120.570 0.169 0.000 2.418 136 I HA 0.131 4.301 4.170 0.001 0.000 0.287 136 I C -0.673 175.599 176.117 0.258 0.000 1.008 136 I CA -0.776 60.616 61.300 0.153 0.000 1.104 136 I CB 1.977 39.995 38.000 0.030 0.000 1.264 136 I HN 0.306 nan 8.210 nan 0.000 0.438 137 H N 7.099 126.311 119.070 0.237 0.000 2.511 137 H HA 0.604 5.160 4.556 0.001 0.000 0.328 137 H C -1.161 174.217 175.328 0.084 0.000 1.044 137 H CA -0.390 55.799 56.048 0.236 0.000 1.212 137 H CB 1.104 31.029 29.762 0.272 0.000 1.428 137 H HN 0.445 nan 8.280 nan 0.000 0.483 138 I N 4.795 125.096 120.570 -0.448 0.000 2.355 138 I HA 0.150 4.320 4.170 0.001 0.000 0.288 138 I C 0.037 175.882 176.117 -0.453 0.000 0.999 138 I CA -0.686 60.387 61.300 -0.378 0.000 1.163 138 I CB 1.474 39.298 38.000 -0.292 0.000 1.316 138 I HN 0.628 nan 8.210 nan 0.000 0.454 139 E N 5.750 125.769 120.200 -0.302 0.000 2.217 139 E HA 0.222 4.573 4.350 0.001 0.000 0.279 139 E C 0.345 176.870 176.600 -0.126 0.000 1.068 139 E CA -0.481 55.829 56.400 -0.150 0.000 0.882 139 E CB 1.016 30.699 29.700 -0.030 0.000 1.039 139 E HN 0.797 nan 8.360 nan 0.000 0.418 140 G N 3.905 112.642 108.800 -0.104 0.000 2.305 140 G HA2 0.051 4.012 3.960 0.001 0.000 0.243 140 G HA3 0.051 4.012 3.960 0.001 0.000 0.243 140 G C 0.268 175.099 174.900 -0.115 0.000 1.288 140 G CA -0.004 45.025 45.100 -0.118 0.000 0.901 140 G HN 0.704 nan 8.290 nan 0.000 0.516 141 R N 1.168 121.588 120.500 -0.133 0.000 5.460 141 R HA 0.040 4.381 4.340 0.001 0.000 0.090 141 R C -0.073 176.148 176.300 -0.131 0.000 0.840 141 R CA 0.333 56.361 56.100 -0.121 0.000 0.937 141 R CB -0.068 30.175 30.300 -0.096 0.000 1.335 141 R HN 0.533 nan 8.270 nan 0.000 0.387 142 N N 1.330 119.953 118.700 -0.129 0.000 2.949 142 N HA 0.270 5.011 4.740 0.001 0.000 0.243 142 N C 0.085 175.508 175.510 -0.146 0.000 1.113 142 N CA 0.391 53.366 53.050 -0.125 0.000 0.980 142 N CB 1.406 39.832 38.487 -0.102 0.000 1.256 142 N HN 0.477 nan 8.380 nan 0.000 0.508 143 A N 2.085 124.810 122.820 -0.158 0.000 1.902 143 A HA -0.208 4.112 4.320 0.001 0.000 0.217 143 A C 2.203 179.676 177.584 -0.184 0.000 1.181 143 A CA 1.889 53.817 52.037 -0.181 0.000 0.623 143 A CB -0.760 18.132 19.000 -0.180 0.000 0.818 143 A HN 0.714 nan 8.150 nan 0.000 0.443 144 S N -0.270 115.343 115.700 -0.145 0.000 2.399 144 S HA -0.163 4.307 4.470 0.001 0.000 0.231 144 S C 1.618 176.134 174.600 -0.140 0.000 1.022 144 S CA 1.342 59.465 58.200 -0.128 0.000 0.983 144 S CB -0.327 62.820 63.200 -0.089 0.000 0.803 144 S HN 0.566 nan 8.310 nan 0.000 0.480 145 E N 1.724 121.842 120.200 -0.137 0.000 2.046 145 E HA -0.071 4.279 4.350 0.001 0.000 0.190 145 E C 2.362 178.844 176.600 -0.198 0.000 0.982 145 E CA 1.061 57.379 56.400 -0.136 0.000 0.800 145 E CB -0.494 29.141 29.700 -0.109 0.000 0.756 145 E HN 0.730 nan 8.360 nan 0.000 0.449 146 Q N 0.456 120.114 119.800 -0.237 0.000 2.170 146 Q HA -0.087 4.253 4.340 0.001 0.000 0.203 146 Q C 2.321 178.082 176.000 -0.398 0.000 0.976 146 Q CA 0.934 56.545 55.803 -0.320 0.000 0.858 146 Q CB -0.032 28.529 28.738 -0.294 0.000 0.907 146 Q HN 0.064 nan 8.270 nan 0.000 0.433 147 V N 1.333 120.997 119.914 -0.416 0.000 2.343 147 V HA -0.229 3.892 4.120 0.001 0.000 0.247 147 V C 1.130 176.987 176.094 -0.395 0.000 1.051 147 V CA 1.497 63.438 62.300 -0.599 0.000 1.036 147 V CB -0.394 31.113 31.823 -0.527 0.000 0.654 147 V HN 0.314 nan 8.190 nan 0.000 0.451 151 Q N 0.753 120.516 119.800 -0.063 0.000 2.084 151 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 151 Q C 2.004 178.036 176.000 0.052 0.000 0.978 151 Q CA 2.088 57.909 55.803 0.031 0.000 0.844 151 Q CB 0.007 28.759 28.738 0.024 0.000 0.898 151 Q HN 0.276 nan 8.270 nan 0.000 0.426 152 R N 0.773 121.308 120.500 0.059 0.000 2.091 152 R HA -0.163 4.178 4.340 0.001 0.000 0.238 152 R C 2.071 178.463 176.300 0.154 0.000 1.136 152 R CA 1.386 57.559 56.100 0.121 0.000 0.959 152 R CB -0.217 30.199 30.300 0.194 0.000 0.856 152 R HN 0.232 nan 8.270 nan 0.000 0.437 153 I N 1.019 121.678 120.570 0.149 0.000 2.179 153 I HA -0.283 3.887 4.170 0.001 0.000 0.242 153 I C 1.806 178.004 176.117 0.136 0.000 1.088 153 I CA 1.334 62.719 61.300 0.142 0.000 1.357 153 I CB -0.456 37.597 38.000 0.087 0.000 1.051 153 I HN 0.203 nan 8.210 nan 0.000 0.409 154 D N 1.269 121.723 120.400 0.091 0.000 2.106 154 D HA -0.219 4.421 4.640 0.001 0.000 0.191 154 D C 2.269 178.617 176.300 0.079 0.000 0.997 154 D CA 1.874 55.919 54.000 0.075 0.000 0.834 154 D CB -0.290 40.551 40.800 0.068 0.000 0.956 154 D HN 0.384 nan 8.370 nan 0.000 0.448 155 A N 0.305 123.177 122.820 0.086 0.000 1.883 155 A HA -0.261 4.059 4.320 0.001 0.000 0.217 155 A C 2.051 179.681 177.584 0.076 0.000 1.186 155 A CA 2.261 54.340 52.037 0.070 0.000 0.624 155 A CB -1.092 17.949 19.000 0.070 0.000 0.822 155 A HN 0.403 nan 8.150 nan 0.000 0.444 156 H N 0.494 119.583 119.070 0.031 0.000 2.289 156 H HA -0.177 4.379 4.556 0.001 0.000 0.294 156 H C 1.942 177.281 175.328 0.020 0.000 1.095 156 H CA 2.400 58.465 56.048 0.027 0.000 1.256 156 H CB -0.138 29.649 29.762 0.041 0.000 1.359 156 H HN 0.427 nan 8.280 nan 0.000 0.487 157 N N -0.484 118.271 118.700 0.092 0.000 2.223 157 N HA -0.137 4.603 4.740 0.001 0.000 0.185 157 N C 1.951 177.440 175.510 -0.035 0.000 1.016 157 N CA 1.658 54.723 53.050 0.026 0.000 0.863 157 N CB -0.783 37.743 38.487 0.065 0.000 0.983 157 N HN 0.711 nan 8.380 nan 0.000 0.429 158 T N -1.805 112.735 114.554 -0.023 0.000 3.025 158 T HA -0.035 4.316 4.350 0.001 0.000 0.270 158 T C 1.464 176.131 174.700 -0.055 0.000 1.126 158 T CA 0.861 62.944 62.100 -0.029 0.000 1.105 158 T CB -0.020 68.841 68.868 -0.012 0.000 0.884 158 T HN 0.189 nan 8.240 nan 0.000 0.522 159 R N 0.183 120.621 120.500 -0.103 0.000 2.472 159 R HA 0.266 4.606 4.340 0.001 0.000 0.279 159 R C -0.135 176.082 176.300 -0.138 0.000 0.953 159 R CA -0.240 55.790 56.100 -0.117 0.000 1.088 159 R CB 0.490 30.711 30.300 -0.132 0.000 1.197 159 R HN 0.368 nan 8.270 nan 0.000 0.536 160 Q N 1.088 120.807 119.800 -0.134 0.000 2.312 160 Q HA 0.379 4.720 4.340 0.001 0.000 0.263 160 Q C -2.389 173.582 176.000 -0.048 0.000 0.995 160 Q CA -2.575 53.165 55.803 -0.106 0.000 0.853 160 Q CB 1.532 30.208 28.738 -0.104 0.000 1.300 160 Q HN -0.054 nan 8.270 nan 0.000 0.448 161 P HA 0.075 nan 4.420 nan 0.000 0.271 161 P C -1.920 175.378 177.300 -0.004 0.000 1.233 161 P CA -1.046 62.045 63.100 -0.014 0.000 0.789 161 P CB -0.048 31.647 31.700 -0.009 0.000 0.951 162 P HA -0.214 nan 4.420 nan 0.000 0.215 162 P C 1.646 178.956 177.300 0.017 0.000 1.157 162 P CA 2.487 65.591 63.100 0.007 0.000 0.874 162 P CB -0.571 31.133 31.700 0.006 0.000 0.790 163 E N -0.196 120.015 120.200 0.018 0.000 2.171 163 E HA -0.269 4.081 4.350 0.001 0.000 0.197 163 E C 1.841 178.466 176.600 0.041 0.000 0.997 163 E CA 1.525 57.942 56.400 0.028 0.000 0.810 163 E CB -1.565 28.148 29.700 0.023 0.000 0.738 163 E HN 0.358 nan 8.360 nan 0.000 0.467 164 Q N -0.234 119.588 119.800 0.038 0.000 2.319 164 Q HA 0.163 4.503 4.340 0.001 0.000 0.202 164 Q C 0.035 176.085 176.000 0.084 0.000 0.896 164 Q CA 0.040 55.879 55.803 0.061 0.000 0.942 164 Q CB 0.816 29.581 28.738 0.045 0.000 1.083 164 Q HN 0.250 nan 8.270 nan 0.000 0.510 165 K N 0.884 121.318 120.400 0.058 0.000 2.412 165 K HA 0.140 4.461 4.320 0.001 0.000 0.281 165 K C -0.129 176.513 176.600 0.069 0.000 1.027 165 K CA 0.051 56.374 56.287 0.060 0.000 0.989 165 K CB 0.697 33.210 32.500 0.021 0.000 0.935 165 K HN 0.177 nan 8.250 nan 0.000 0.475 166 I N 4.260 124.884 120.570 0.089 0.000 2.342 166 I HA 0.173 4.343 4.170 0.001 0.000 0.291 166 I C 0.700 176.757 176.117 -0.100 0.000 1.010 166 I CA -0.507 60.818 61.300 0.043 0.000 1.308 166 I CB 0.730 38.776 38.000 0.076 0.000 1.400 166 I HN 0.254 nan 8.210 nan 0.000 0.488 167 R N 4.824 125.175 120.500 -0.248 0.000 2.441 167 R HA 0.619 4.960 4.340 0.001 0.000 0.284 167 R C -0.982 174.778 176.300 -0.899 0.000 1.070 167 R CA -0.584 55.143 56.100 -0.623 0.000 1.047 167 R CB 1.418 31.176 30.300 -0.904 0.000 1.016 167 R HN 0.362 nan 8.270 nan 0.000 0.477 168 V N 1.859 121.338 119.914 -0.726 0.000 2.577 168 V HA 0.326 4.446 4.120 0.001 0.000 0.303 168 V C -0.452 175.509 176.094 -0.221 0.000 1.042 168 V CA -0.741 61.314 62.300 -0.408 0.000 0.872 168 V CB 1.897 33.614 31.823 -0.176 0.000 0.998 168 V HN 0.990 nan 8.190 nan 0.000 0.423 169 S N 3.507 119.269 115.700 0.104 0.000 2.568 169 S HA 0.935 5.406 4.470 0.001 0.000 0.302 169 S C -0.605 174.161 174.600 0.276 0.000 1.082 169 S CA -0.754 57.678 58.200 0.387 0.000 1.009 169 S CB 2.083 65.826 63.200 0.904 0.000 1.069 169 S HN 1.324 nan 8.310 nan 0.000 0.500 170 V N -1.408 118.660 119.914 0.256 0.000 2.876 170 V HA 0.737 4.857 4.120 0.001 0.000 0.312 170 V C -0.806 175.460 176.094 0.286 0.000 1.085 170 V CA -0.731 61.635 62.300 0.109 0.000 0.945 170 V CB 1.713 33.569 31.823 0.056 0.000 1.017 170 V HN 1.079 nan 8.190 nan 0.000 0.428 171 E N 2.055 122.347 120.200 0.153 0.000 2.176 171 E HA 0.610 4.961 4.350 0.001 0.000 0.267 171 E C -1.689 175.006 176.600 0.158 0.000 0.893 171 E CA -0.701 55.869 56.400 0.282 0.000 0.761 171 E CB 2.285 32.149 29.700 0.273 0.000 1.133 171 E HN 0.733 nan 8.360 nan 0.000 0.409 172 V N 3.956 124.005 119.914 0.224 0.000 2.277 172 V HA 0.082 4.202 4.120 0.001 0.000 0.269 172 V C 0.741 176.955 176.094 0.201 0.000 1.036 172 V CA -0.241 62.155 62.300 0.159 0.000 0.821 172 V CB 0.928 32.842 31.823 0.152 0.000 1.052 172 V HN 0.688 nan 8.190 nan 0.000 0.462 173 E N 3.534 123.806 120.200 0.119 0.000 2.372 173 E HA 0.204 4.554 4.350 0.001 0.000 0.201 173 E C 0.620 177.256 176.600 0.060 0.000 0.938 173 E CA 0.376 56.837 56.400 0.102 0.000 0.944 173 E CB 0.505 30.245 29.700 0.067 0.000 0.937 173 E HN 0.734 nan 8.360 nan 0.000 0.495 174 K N 1.349 121.761 120.400 0.019 0.000 2.221 174 K HA 0.388 4.709 4.320 0.001 0.000 0.258 174 K C -2.621 173.969 176.600 -0.017 0.000 0.944 174 K CA -2.318 53.946 56.287 -0.038 0.000 0.823 174 K CB 2.002 34.437 32.500 -0.110 0.000 1.113 174 K HN 0.068 nan 8.250 nan 0.000 0.431 175 P HA 0.124 nan 4.420 nan 0.000 0.230 175 P C -0.997 176.256 177.300 -0.079 0.000 1.791 175 P CA -0.111 63.012 63.100 0.039 0.000 1.020 175 P CB 0.032 31.594 31.700 -0.229 0.000 1.977 176 R N 0.854 121.190 120.500 -0.273 0.000 2.494 176 R HA 0.155 4.496 4.340 0.001 0.000 0.305 176 R C 1.342 177.140 176.300 -0.837 0.000 0.959 176 R CA -0.530 55.329 56.100 -0.401 0.000 0.864 176 R CB 1.270 31.403 30.300 -0.279 0.000 1.159 176 R HN -0.022 nan 8.270 nan 0.000 0.446 177 E N 2.890 122.714 120.200 -0.627 0.000 2.086 177 E HA -0.314 4.037 4.350 0.001 0.000 0.200 177 E C 1.223 177.467 176.600 -0.594 0.000 1.012 177 E CA 2.432 58.447 56.400 -0.642 0.000 0.812 177 E CB 0.168 29.751 29.700 -0.196 0.000 0.743 177 E HN 0.739 nan 8.360 nan 0.000 0.453 178 E N 0.119 120.083 120.200 -0.394 0.000 2.267 178 E HA -0.196 4.155 4.350 0.001 0.000 0.197 178 E C 2.097 178.503 176.600 -0.322 0.000 0.998 178 E CA 1.285 57.518 56.400 -0.278 0.000 0.830 178 E CB -0.459 29.120 29.700 -0.203 0.000 0.751 178 E HN 0.400 nan 8.360 nan 0.000 0.491 179 L N -0.206 120.728 121.223 -0.481 0.000 2.291 179 L HA -0.044 4.296 4.340 0.001 0.000 0.214 179 L C 1.841 178.495 176.870 -0.360 0.000 1.120 179 L CA 0.423 55.026 54.840 -0.395 0.000 0.799 179 L CB -0.336 41.505 42.059 -0.364 0.000 0.925 179 L HN 0.106 nan 8.230 nan 0.000 0.446 180 F N 0.246 120.005 119.950 -0.318 0.000 2.365 180 F HA -0.170 4.357 4.527 0.000 0.000 0.300 180 F C 2.640 178.231 175.800 -0.348 0.000 1.090 180 F CA 0.637 58.319 58.000 -0.529 0.000 1.408 180 F CB -1.009 37.918 39.000 -0.121 0.000 1.060 180 F HN 0.210 nan 8.300 nan 0.000 0.534 181 Q N 0.750 120.552 119.800 0.002 0.000 2.248 181 Q HA -0.191 4.149 4.340 0.001 0.000 0.208 181 Q C 1.861 177.949 176.000 0.146 0.000 0.984 181 Q CA 1.277 57.130 55.803 0.083 0.000 0.875 181 Q CB -0.221 28.542 28.738 0.041 0.000 0.910 181 Q HN 0.459 nan 8.270 nan 0.000 0.433 182 L N -0.387 120.830 121.223 -0.009 0.000 2.376 182 L HA -0.055 4.286 4.340 0.001 0.000 0.219 182 L C 1.861 178.843 176.870 0.186 0.000 1.133 182 L CA 0.311 55.199 54.840 0.078 0.000 0.816 182 L CB -0.374 41.640 42.059 -0.075 0.000 0.933 182 L HN 0.256 nan 8.230 nan 0.000 0.449 183 F N 0.564 120.615 119.950 0.167 0.000 2.192 183 F HA -0.192 4.336 4.527 0.000 0.000 0.301 183 F C 2.319 178.125 175.800 0.010 0.000 1.079 183 F CA 0.695 58.746 58.000 0.085 0.000 1.303 183 F CB -0.392 38.642 39.000 0.058 0.000 1.024 183 F HN 0.160 nan 8.300 nan 0.000 0.494 184 G N -1.736 107.164 108.800 0.166 0.000 3.124 184 G HA2 0.039 3.999 3.960 0.001 0.000 0.212 184 G HA3 0.039 3.999 3.960 0.001 0.000 0.212 184 G C -0.419 174.220 174.900 -0.435 0.000 1.181 184 G CA 0.105 45.110 45.100 -0.159 0.000 0.803 184 G HN 0.256 nan 8.290 nan 0.000 0.529 185 Y N -1.295 119.007 120.300 0.002 0.000 2.605 185 Y HA 0.601 5.151 4.550 0.000 0.000 0.343 185 Y C 0.701 176.584 175.900 -0.027 0.000 1.036 185 Y CA -0.430 57.654 58.100 -0.027 0.000 1.065 185 Y CB 1.976 40.407 38.460 -0.047 0.000 1.288 185 Y HN 0.373 nan 8.280 nan 0.000 0.481 186 G N 1.334 110.195 108.800 0.101 0.000 2.712 186 G HA2 -0.182 3.778 3.960 0.001 0.000 0.686 186 G HA3 -0.182 3.778 3.960 0.001 0.000 0.686 186 G C -0.381 174.506 174.900 -0.022 0.000 1.321 186 G CA -0.252 44.861 45.100 0.023 0.000 0.813 186 G HN 0.652 nan 8.290 nan 0.000 0.599 187 D N -1.020 119.338 120.400 -0.070 0.000 2.249 187 D HA 0.084 4.725 4.640 0.001 0.000 0.205 187 D C 1.188 177.470 176.300 -0.030 0.000 0.962 187 D CA 1.574 55.531 54.000 -0.072 0.000 0.860 187 D CB 0.499 41.211 40.800 -0.146 0.000 0.955 187 D HN 0.391 nan 8.370 nan 0.000 0.505 188 V N 1.466 121.375 119.914 -0.008 0.000 2.577 188 V HA 0.289 4.410 4.120 0.001 0.000 0.303 188 V C -0.297 175.770 176.094 -0.044 0.000 1.042 188 V CA -0.801 61.478 62.300 -0.034 0.000 0.872 188 V CB 2.741 34.581 31.823 0.028 0.000 0.998 188 V HN -0.262 nan 8.190 nan 0.000 0.423 189 V N 5.089 124.946 119.914 -0.094 0.000 2.407 189 V HA 0.518 4.638 4.120 0.001 0.000 0.291 189 V C -0.768 175.319 176.094 -0.012 0.000 1.018 189 V CA -0.478 61.849 62.300 0.045 0.000 0.842 189 V CB 1.418 33.323 31.823 0.136 0.000 0.996 189 V HN 0.661 nan 8.190 nan 0.000 0.426 190 F N 3.887 124.008 119.950 0.285 0.000 2.410 190 F HA 0.612 5.140 4.527 0.000 0.000 0.349 190 F C 0.190 176.168 175.800 0.298 0.000 1.117 190 F CA -0.515 57.663 58.000 0.297 0.000 1.104 190 F CB 1.783 40.976 39.000 0.322 0.000 1.122 190 F HN 0.311 nan 8.300 nan 0.000 0.483 191 V N 4.351 124.526 119.914 0.435 0.000 2.540 191 V HA 0.584 4.704 4.120 0.001 0.000 0.302 191 V C -0.289 175.990 176.094 0.309 0.000 1.035 191 V CA -0.546 61.989 62.300 0.392 0.000 0.873 191 V CB 1.720 33.753 31.823 0.350 0.000 0.992 191 V HN 0.834 nan 8.190 nan 0.000 0.428 192 S N 5.034 120.890 115.700 0.260 0.000 2.603 192 S HA 0.268 4.738 4.470 0.001 0.000 0.268 192 S C 1.109 175.776 174.600 0.111 0.000 1.317 192 S CA 0.256 58.550 58.200 0.157 0.000 1.012 192 S CB 1.164 64.430 63.200 0.109 0.000 0.926 192 S HN 0.954 nan 8.310 nan 0.000 0.539 193 K N 0.746 121.121 120.400 -0.042 0.000 2.063 193 K HA -0.235 4.086 4.320 0.001 0.000 0.208 193 K C 1.608 178.094 176.600 -0.191 0.000 1.048 193 K CA 2.097 58.196 56.287 -0.314 0.000 0.928 193 K CB -0.604 31.441 32.500 -0.759 0.000 0.713 193 K HN 0.810 nan 8.250 nan 0.000 0.442 194 D N -0.038 120.316 120.400 -0.077 0.000 2.116 194 D HA -0.170 4.470 4.640 0.001 0.000 0.193 194 D C 1.783 178.208 176.300 0.209 0.000 0.998 194 D CA 1.592 55.629 54.000 0.061 0.000 0.836 194 D CB 0.022 40.861 40.800 0.066 0.000 0.951 194 D HN 0.078 nan 8.370 nan 0.000 0.449 195 V N 0.747 120.778 119.914 0.194 0.000 2.295 195 V HA -0.237 3.884 4.120 0.001 0.000 0.246 195 V C 2.626 178.892 176.094 0.286 0.000 1.049 195 V CA 1.865 64.324 62.300 0.265 0.000 1.024 195 V CB -1.112 30.899 31.823 0.312 0.000 0.648 195 V HN 0.376 nan 8.190 nan 0.000 0.447 196 A N -0.287 122.713 122.820 0.300 0.000 1.903 196 A HA -0.326 3.994 4.320 0.001 0.000 0.219 196 A C 2.302 180.134 177.584 0.414 0.000 1.191 196 A CA 2.498 54.797 52.037 0.437 0.000 0.638 196 A CB -0.526 18.788 19.000 0.523 0.000 0.823 196 A HN 0.562 nan 8.150 nan 0.000 0.451 197 K N -1.893 118.671 120.400 0.274 0.000 2.057 197 K HA -0.116 4.205 4.320 0.001 0.000 0.206 197 K C 1.997 178.635 176.600 0.065 0.000 1.050 197 K CA 1.516 57.903 56.287 0.166 0.000 0.935 197 K CB -0.273 32.253 32.500 0.042 0.000 0.715 197 K HN 0.681 nan 8.250 nan 0.000 0.439 198 H N 0.352 119.468 119.070 0.076 0.000 2.421 198 H HA -0.006 4.550 4.556 0.001 0.000 0.298 198 H C 1.408 176.747 175.328 0.017 0.000 1.087 198 H CA 1.118 57.200 56.048 0.057 0.000 1.330 198 H CB 0.092 29.911 29.762 0.095 0.000 1.388 198 H HN 0.025 nan 8.280 nan 0.000 0.526 199 L N -0.731 120.550 121.223 0.097 0.000 2.599 199 L HA 0.129 4.470 4.340 0.001 0.000 0.230 199 L C 1.165 177.799 176.870 -0.393 0.000 1.141 199 L CA 0.478 55.248 54.840 -0.117 0.000 0.877 199 L CB 0.072 42.060 42.059 -0.118 0.000 1.009 199 L HN 0.512 nan 8.230 nan 0.000 0.447 200 G N -0.311 108.337 108.800 -0.253 0.000 2.142 200 G HA2 -0.271 3.689 3.960 0.001 0.000 0.225 200 G HA3 -0.271 3.689 3.960 0.001 0.000 0.225 200 G C -0.152 174.564 174.900 -0.308 0.000 1.015 200 G CA -0.536 44.406 45.100 -0.264 0.000 0.716 200 G HN 0.150 nan 8.290 nan 0.000 0.508 201 F N 0.069 120.062 119.950 0.071 0.000 2.421 201 F HA 0.524 5.052 4.527 0.001 0.000 0.337 201 F C 1.493 177.375 175.800 0.137 0.000 1.105 201 F CA -0.785 57.258 58.000 0.072 0.000 1.049 201 F CB 1.495 40.535 39.000 0.068 0.000 1.139 201 F HN 0.055 nan 8.300 nan 0.000 0.479 202 Q N 0.828 120.772 119.800 0.240 0.000 2.392 202 Q HA 0.140 4.481 4.340 0.001 0.000 0.203 202 Q C -0.056 175.971 176.000 0.045 0.000 0.917 202 Q CA 0.236 56.144 55.803 0.175 0.000 0.939 202 Q CB 0.509 29.294 28.738 0.078 0.000 1.063 202 Q HN 0.722 nan 8.270 nan 0.000 0.516 203 S N -2.610 112.915 115.700 -0.292 0.000 2.588 203 S HA 0.579 5.049 4.470 0.001 0.000 0.269 203 S C 0.294 174.175 174.600 -1.198 0.000 1.157 203 S CA -0.374 57.191 58.200 -1.058 0.000 0.824 203 S CB 1.121 63.966 63.200 -0.592 0.000 1.126 203 S HN 0.002 nan 8.310 nan 0.000 0.464 204 A N 0.786 122.724 122.820 -1.469 0.000 1.933 204 A HA -0.044 4.276 4.320 0.001 0.000 0.218 204 A C 1.933 179.317 177.584 -0.334 0.000 1.175 204 A CA 1.962 53.660 52.037 -0.565 0.000 0.628 204 A CB -1.202 17.661 19.000 -0.229 0.000 0.814 204 A HN 0.959 nan 8.150 nan 0.000 0.444 205 E N -0.323 119.668 120.200 -0.347 0.000 2.058 205 E HA -0.231 4.119 4.350 0.001 0.000 0.194 205 E C 2.003 178.455 176.600 -0.246 0.000 0.997 205 E CA 1.490 57.744 56.400 -0.243 0.000 0.801 205 E CB -0.126 29.440 29.700 -0.223 0.000 0.746 205 E HN 0.747 nan 8.360 nan 0.000 0.450 206 E N -0.201 119.845 120.200 -0.257 0.000 2.077 206 E HA -0.209 4.141 4.350 0.001 0.000 0.193 206 E C 2.011 178.306 176.600 -0.508 0.000 0.989 206 E CA 0.875 57.148 56.400 -0.212 0.000 0.800 206 E CB -0.128 29.558 29.700 -0.023 0.000 0.746 206 E HN 0.316 nan 8.360 nan 0.000 0.452 207 A N 1.169 123.623 122.820 -0.611 0.000 1.902 207 A HA -0.169 4.151 4.320 0.001 0.000 0.217 207 A C 2.183 179.347 177.584 -0.700 0.000 1.181 207 A CA 1.065 52.476 52.037 -1.043 0.000 0.623 207 A CB -0.611 18.175 19.000 -0.356 0.000 0.818 207 A HN 0.132 nan 8.150 nan 0.000 0.443 208 L N -1.140 119.861 121.223 -0.369 0.000 2.027 208 L HA -0.170 4.170 4.340 0.001 0.000 0.206 208 L C 2.874 179.633 176.870 -0.185 0.000 1.074 208 L CA 1.147 55.859 54.840 -0.213 0.000 0.745 208 L CB -0.625 41.364 42.059 -0.116 0.000 0.898 208 L HN 0.320 nan 8.230 nan 0.000 0.433 209 R N 0.290 120.664 120.500 -0.209 0.000 2.096 209 R HA -0.099 4.241 4.340 0.001 0.000 0.235 209 R C 2.220 178.444 176.300 -0.126 0.000 1.127 209 R CA 1.494 57.511 56.100 -0.139 0.000 0.968 209 R CB -1.112 29.117 30.300 -0.120 0.000 0.861 209 R HN 0.418 nan 8.270 nan 0.000 0.440 210 G N 0.150 108.796 108.800 -0.257 0.000 2.464 210 G HA2 -0.080 3.880 3.960 0.001 0.000 0.217 210 G HA3 -0.080 3.880 3.960 0.001 0.000 0.217 210 G C 1.423 176.248 174.900 -0.125 0.000 1.138 210 G CA 0.018 45.034 45.100 -0.140 0.000 0.793 210 G HN 0.193 nan 8.290 nan 0.000 0.539 211 L N -1.457 119.599 121.223 -0.279 0.000 2.590 211 L HA 0.288 4.628 4.340 0.001 0.000 0.227 211 L C 2.178 178.909 176.870 -0.232 0.000 1.099 211 L CA -0.194 54.460 54.840 -0.310 0.000 0.872 211 L CB 0.008 41.729 42.059 -0.564 0.000 1.088 211 L HN 0.165 nan 8.230 nan 0.000 0.479 212 Y N 1.373 121.549 120.300 -0.206 0.000 2.274 212 Y HA -0.148 4.402 4.550 0.000 0.000 0.290 212 Y C 2.299 178.140 175.900 -0.099 0.000 1.145 212 Y CA 1.508 59.521 58.100 -0.145 0.000 1.203 212 Y CB -0.263 38.127 38.460 -0.118 0.000 0.984 212 Y HN 0.123 nan 8.280 nan 0.000 0.533 213 G N -0.219 108.555 108.800 -0.044 0.000 2.501 213 G HA2 -0.246 3.714 3.960 0.001 0.000 0.220 213 G HA3 -0.246 3.714 3.960 0.001 0.000 0.220 213 G C 1.619 176.446 174.900 -0.121 0.000 1.114 213 G CA 0.700 45.762 45.100 -0.063 0.000 0.757 213 G HN 0.406 nan 8.290 nan 0.000 0.559 214 R N -0.352 120.056 120.500 -0.155 0.000 2.280 214 R HA 0.205 4.545 4.340 0.001 0.000 0.195 214 R C 0.990 177.212 176.300 -0.131 0.000 0.935 214 R CA 0.104 56.148 56.100 -0.092 0.000 1.033 214 R CB 0.229 30.528 30.300 -0.001 0.000 0.964 214 R HN 0.375 nan 8.270 nan 0.000 0.489 215 V N 0.426 120.162 119.914 -0.296 0.000 2.904 215 V HA 0.295 4.416 4.120 0.001 0.000 0.305 215 V C 0.353 176.277 176.094 -0.283 0.000 1.067 215 V CA -1.248 60.876 62.300 -0.293 0.000 1.044 215 V CB 1.128 32.688 31.823 -0.438 0.000 1.050 215 V HN 0.214 nan 8.190 nan 0.000 0.475 216 R N 1.918 122.288 120.500 -0.217 0.000 2.615 216 R HA 0.396 4.736 4.340 0.001 0.000 0.270 216 R C 0.094 176.308 176.300 -0.143 0.000 1.081 216 R CA -0.524 55.466 56.100 -0.184 0.000 1.154 216 R CB 0.445 30.636 30.300 -0.181 0.000 1.063 216 R HN 0.657 nan 8.270 nan 0.000 0.519 217 K N 1.118 121.459 120.400 -0.098 0.000 2.491 217 K HA 0.131 4.452 4.320 0.001 0.000 0.279 217 K C 0.995 177.580 176.600 -0.025 0.000 1.026 217 K CA 1.116 57.375 56.287 -0.047 0.000 1.070 217 K CB -0.440 32.041 32.500 -0.031 0.000 0.887 217 K HN 0.945 nan 8.250 nan 0.000 0.481 218 G N 1.380 110.192 108.800 0.019 0.000 2.194 218 G HA2 -0.178 3.782 3.960 0.001 0.000 0.236 218 G HA3 -0.178 3.782 3.960 0.001 0.000 0.236 218 G C 0.291 175.218 174.900 0.045 0.000 0.987 218 G CA 0.203 45.323 45.100 0.034 0.000 0.635 218 G HN 1.348 nan 8.290 nan 0.000 0.520 219 A N -0.309 122.524 122.820 0.022 0.000 2.332 219 A HA 0.738 5.058 4.320 0.001 0.000 0.258 219 A C 0.323 177.973 177.584 0.109 0.000 1.087 219 A CA 0.298 52.342 52.037 0.012 0.000 0.802 219 A CB 1.185 20.148 19.000 -0.062 0.000 1.042 219 A HN 1.130 nan 8.150 nan 0.000 0.489 220 V N 2.235 122.193 119.914 0.074 0.000 2.384 220 V HA 0.339 4.459 4.120 0.001 0.000 0.287 220 V C -0.475 175.651 176.094 0.054 0.000 1.020 220 V CA -0.418 61.943 62.300 0.101 0.000 0.850 220 V CB 1.115 32.970 31.823 0.053 0.000 0.987 220 V HN 0.748 nan 8.190 nan 0.000 0.436 221 L N 6.987 128.284 121.223 0.124 0.000 2.275 221 L HA 0.682 5.022 4.340 0.001 0.000 0.288 221 L C -0.419 176.482 176.870 0.051 0.000 1.046 221 L CA 0.251 55.129 54.840 0.064 0.000 0.805 221 L CB 1.592 43.716 42.059 0.109 0.000 1.193 221 L HN 0.452 nan 8.230 nan 0.000 0.426 222 V N 4.210 124.144 119.914 0.033 0.000 2.540 222 V HA 0.508 4.628 4.120 0.001 0.000 0.302 222 V C -0.757 175.492 176.094 0.259 0.000 1.035 222 V CA -0.634 61.753 62.300 0.146 0.000 0.873 222 V CB 1.658 33.541 31.823 0.101 0.000 0.992 222 V HN 0.901 nan 8.190 nan 0.000 0.428 223 C N 5.050 124.500 119.300 0.251 0.000 2.571 223 C HA 0.815 5.276 4.460 0.001 0.000 0.343 223 C C 0.372 175.470 174.990 0.181 0.000 1.082 223 C CA -0.342 58.820 59.018 0.240 0.000 1.339 223 C CB -0.135 27.732 27.740 0.213 0.000 1.893 223 C HN 1.141 nan 8.230 nan 0.000 0.445 224 A N 5.018 127.847 122.820 0.014 0.000 2.327 224 A HA 0.640 4.960 4.320 0.001 0.000 0.283 224 A C -0.179 177.431 177.584 0.043 0.000 1.127 224 A CA -0.306 51.575 52.037 -0.259 0.000 0.810 224 A CB 0.443 18.889 19.000 -0.924 0.000 1.066 224 A HN 1.066 nan 8.150 nan 0.000 0.492 225 W N 2.576 123.791 121.300 -0.142 0.000 1.513 225 W HA 0.420 5.080 4.660 0.000 0.000 0.311 225 W C 0.585 177.075 176.519 -0.048 0.000 0.821 225 W CA 0.105 57.417 57.345 -0.055 0.000 2.622 225 W CB 0.267 29.724 29.460 -0.007 0.000 1.907 225 W HN 1.310 nan 8.180 nan 0.000 0.562 226 A N 1.651 124.439 122.820 -0.053 0.000 5.318 226 A HA -0.414 3.907 4.320 0.001 0.000 0.329 226 A C 1.658 179.261 177.584 0.030 0.000 1.789 226 A CA 2.397 54.403 52.037 -0.052 0.000 0.711 226 A CB -1.481 17.453 19.000 -0.108 0.000 1.398 226 A HN 0.534 nan 8.150 nan 0.000 0.392 227 E N 0.627 120.853 120.200 0.043 0.000 2.418 227 E HA -0.120 4.231 4.350 0.001 0.000 0.197 227 E C 1.411 178.072 176.600 0.102 0.000 1.026 227 E CA 1.348 57.785 56.400 0.062 0.000 0.862 227 E CB -0.231 29.495 29.700 0.044 0.000 0.799 227 E HN 0.725 nan 8.360 nan 0.000 0.518 228 E N 1.417 121.723 120.200 0.176 0.000 2.478 228 E HA 0.068 4.419 4.350 0.001 0.000 0.194 228 E C 0.694 177.435 176.600 0.235 0.000 1.045 228 E CA 0.753 57.282 56.400 0.214 0.000 0.868 228 E CB 0.117 30.008 29.700 0.318 0.000 0.885 228 E HN 0.358 nan 8.360 nan 0.000 0.505 229 G N 0.246 109.145 108.800 0.165 0.000 2.548 229 G HA2 -0.002 3.959 3.960 0.001 0.000 0.208 229 G HA3 -0.002 3.959 3.960 0.001 0.000 0.208 229 G C -0.698 174.246 174.900 0.073 0.000 1.308 229 G CA -0.255 44.890 45.100 0.076 0.000 0.924 229 G HN 0.542 nan 8.290 nan 0.000 0.540 230 A N -0.657 122.155 122.820 -0.014 0.000 2.515 230 A HA 0.815 5.136 4.320 0.001 0.000 0.296 230 A C -1.162 176.490 177.584 0.113 0.000 1.094 230 A CA -0.068 51.995 52.037 0.044 0.000 0.718 230 A CB 1.992 20.995 19.000 0.006 0.000 1.307 230 A HN 0.811 nan 8.150 nan 0.000 0.408 231 D N -0.416 120.084 120.400 0.167 0.000 2.419 231 D HA 0.787 5.427 4.640 0.001 0.000 0.234 231 D C -0.491 175.901 176.300 0.152 0.000 1.014 231 D CA 0.242 54.338 54.000 0.159 0.000 0.919 231 D CB 2.122 42.983 40.800 0.102 0.000 1.366 231 D HN 0.879 nan 8.370 nan 0.000 0.490 232 A N 0.753 123.639 122.820 0.111 0.000 2.515 232 A HA 0.693 5.014 4.320 0.001 0.000 0.298 232 A C -1.926 175.675 177.584 0.028 0.000 1.059 232 A CA -0.551 51.539 52.037 0.089 0.000 0.698 232 A CB 1.403 20.466 19.000 0.106 0.000 1.289 232 A HN 0.354 nan 8.150 nan 0.000 0.404 233 L N 1.609 122.838 121.223 0.011 0.000 2.438 233 L HA 0.814 5.155 4.340 0.001 0.000 0.270 233 L C 0.218 177.044 176.870 -0.074 0.000 0.972 233 L CA 0.332 55.118 54.840 -0.090 0.000 0.831 233 L CB 1.743 43.704 42.059 -0.163 0.000 1.273 233 L HN 1.067 nan 8.230 nan 0.000 0.405 234 G N 3.649 112.361 108.800 -0.146 0.000 3.016 234 G HA2 0.554 4.514 3.960 0.001 0.000 0.270 234 G HA3 0.554 4.514 3.960 0.001 0.000 0.270 234 G C -2.313 172.459 174.900 -0.213 0.000 1.352 234 G CA -1.060 44.012 45.100 -0.046 0.000 1.060 234 G HN 0.465 nan 8.290 nan 0.000 0.538 235 P HA -0.049 nan 4.420 nan 0.000 0.218 235 P C 1.073 178.331 177.300 -0.070 0.000 1.148 235 P CA 1.477 64.595 63.100 0.029 0.000 0.822 235 P CB 0.100 31.843 31.700 0.071 0.000 0.784 236 D N -1.337 119.014 120.400 -0.081 0.000 2.378 236 D HA 0.014 4.655 4.640 0.001 0.000 0.227 236 D C 1.420 177.650 176.300 -0.117 0.000 1.012 236 D CA 0.772 54.726 54.000 -0.077 0.000 0.905 236 D CB -1.279 39.490 40.800 -0.050 0.000 0.895 236 D HN 0.215 nan 8.370 nan 0.000 0.532 237 G N 0.293 108.970 108.800 -0.205 0.000 2.168 237 G HA2 -0.377 3.584 3.960 0.001 0.000 0.263 237 G HA3 -0.377 3.584 3.960 0.001 0.000 0.263 237 G C 0.204 174.998 174.900 -0.176 0.000 0.977 237 G CA 0.425 45.389 45.100 -0.227 0.000 0.659 237 G HN 0.627 nan 8.290 nan 0.000 0.533 238 K N 0.451 120.763 120.400 -0.145 0.000 2.253 238 K HA 0.604 4.925 4.320 0.001 0.000 0.277 238 K C 0.596 177.141 176.600 -0.091 0.000 1.053 238 K CA -0.835 55.394 56.287 -0.097 0.000 0.892 238 K CB 0.274 32.737 32.500 -0.062 0.000 1.102 238 K HN 0.180 nan 8.250 nan 0.000 0.469 239 L N 6.263 127.438 121.223 -0.080 0.000 2.410 239 L HA 0.195 4.536 4.340 0.001 0.000 0.273 239 L C -0.360 176.508 176.870 -0.005 0.000 1.144 239 L CA -0.233 54.575 54.840 -0.055 0.000 0.863 239 L CB 0.371 42.390 42.059 -0.067 0.000 1.140 239 L HN 0.504 nan 8.230 nan 0.000 0.463 240 L N 3.485 124.724 121.223 0.027 0.000 2.325 240 L HA 0.509 4.849 4.340 0.001 0.000 0.278 240 L C -0.628 176.323 176.870 0.135 0.000 1.023 240 L CA -0.754 54.128 54.840 0.071 0.000 0.811 240 L CB 1.651 43.747 42.059 0.062 0.000 1.249 240 L HN 0.517 nan 8.230 nan 0.000 0.431 241 H N 0.838 119.931 119.070 0.040 0.000 2.851 241 H HA 0.603 5.159 4.556 0.001 0.000 0.372 241 H C -1.421 173.959 175.328 0.086 0.000 1.158 241 H CA -0.365 55.714 56.048 0.052 0.000 1.159 241 H CB 2.266 32.035 29.762 0.013 0.000 1.757 241 H HN 0.491 nan 8.280 nan 0.000 0.546 242 S N 2.625 117.953 115.700 -0.619 0.000 2.538 242 S HA 0.289 4.760 4.470 0.001 0.000 0.288 242 S C -1.203 172.894 174.600 -0.840 0.000 1.108 242 S CA -0.890 57.028 58.200 -0.470 0.000 0.971 242 S CB 0.801 63.994 63.200 -0.011 0.000 1.041 242 S HN 0.733 nan 8.310 nan 0.000 0.483 243 D N 2.676 122.831 120.400 -0.409 0.000 2.378 243 D HA 0.425 5.066 4.640 0.001 0.000 0.238 243 D C 0.585 176.816 176.300 -0.115 0.000 1.180 243 D CA 0.364 54.286 54.000 -0.129 0.000 0.895 243 D CB 0.781 41.538 40.800 -0.072 0.000 1.192 243 D HN 0.711 nan 8.370 nan 0.000 0.438 244 A N 1.259 124.062 122.820 -0.028 0.000 2.448 244 A HA 0.231 4.551 4.320 0.001 0.000 0.239 244 A C -0.252 177.300 177.584 -0.054 0.000 1.080 244 A CA 0.122 52.190 52.037 0.052 0.000 0.779 244 A CB -0.022 19.014 19.000 0.060 0.000 1.026 244 A HN 0.517 nan 8.150 nan 0.000 0.499 245 F N 1.900 121.862 119.950 0.021 0.000 2.371 245 F HA 0.277 4.804 4.527 0.001 0.000 0.343 245 F C -1.849 173.959 175.800 0.015 0.000 1.150 245 F CA -1.682 56.328 58.000 0.018 0.000 1.220 245 F CB 1.044 40.051 39.000 0.013 0.000 1.475 245 F HN 0.342 nan 8.300 nan 0.000 0.521 246 P HA 0.074 nan 4.420 nan 0.000 0.266 246 P C -2.365 174.981 177.300 0.078 0.000 1.195 246 P CA -0.813 62.333 63.100 0.077 0.000 0.768 246 P CB 0.164 31.888 31.700 0.039 0.000 0.838 247 P HA 0.219 nan 4.420 nan 0.000 0.274 247 P C -1.869 175.454 177.300 0.037 0.000 1.256 247 P CA -1.456 61.673 63.100 0.049 0.000 0.795 247 P CB -0.499 31.222 31.700 0.035 0.000 1.038 248 P HA -0.126 nan 4.420 nan 0.000 0.215 248 P C 0.125 177.437 177.300 0.020 0.000 1.157 248 P CA 1.465 64.580 63.100 0.025 0.000 0.874 248 P CB 0.043 31.756 31.700 0.023 0.000 0.790 249 R N -2.061 118.449 120.500 0.018 0.000 2.604 249 R HA 0.584 4.924 4.340 0.001 0.000 0.281 249 R C -1.011 175.297 176.300 0.013 0.000 1.020 249 R CA -0.921 55.187 56.100 0.014 0.000 0.899 249 R CB -0.027 30.280 30.300 0.011 0.000 1.205 249 R HN -0.224 nan 8.270 nan 0.000 0.450 250 V N 3.162 123.083 119.914 0.012 0.000 2.408 250 V HA 0.223 4.344 4.120 0.001 0.000 0.267 250 V C 1.478 177.574 176.094 0.004 0.000 1.047 250 V CA 0.486 62.792 62.300 0.009 0.000 0.937 250 V CB 1.060 32.888 31.823 0.009 0.000 0.999 250 V HN 0.896 nan 8.190 nan 0.000 0.472 251 V N 0.801 120.714 119.914 -0.001 0.000 3.484 251 V HA 0.468 4.588 4.120 0.001 0.000 0.252 251 V C 0.218 176.305 176.094 -0.013 0.000 1.282 251 V CA 0.614 62.911 62.300 -0.005 0.000 1.104 251 V CB 0.848 32.667 31.823 -0.007 0.000 0.868 251 V HN 0.774 nan 8.190 nan 0.000 0.457 252 D N 0.505 120.892 120.400 -0.021 0.000 2.738 252 D HA 0.332 4.972 4.640 0.001 0.000 0.218 252 D C 0.296 176.577 176.300 -0.032 0.000 1.345 252 D CA 0.630 54.609 54.000 -0.035 0.000 0.943 252 D CB 1.685 42.445 40.800 -0.067 0.000 1.514 252 D HN 0.250 nan 8.370 nan 0.000 0.585 253 T N 1.314 115.858 114.554 -0.016 0.000 3.092 253 T HA 0.195 4.545 4.350 0.001 0.000 0.258 253 T C 0.726 175.434 174.700 0.014 0.000 1.031 253 T CA -0.380 61.720 62.100 0.000 0.000 0.925 253 T CB -0.170 68.697 68.868 -0.001 0.000 1.036 253 T HN 0.233 nan 8.240 nan 0.000 0.544 254 L N 2.701 123.923 121.223 -0.001 0.000 2.500 254 L HA 0.540 4.880 4.340 0.001 0.000 0.272 254 L C 1.255 178.180 176.870 0.091 0.000 1.149 254 L CA 1.465 56.320 54.840 0.024 0.000 0.897 254 L CB -0.455 41.599 42.059 -0.008 0.000 1.178 254 L HN 0.560 nan 8.230 nan 0.000 0.473 255 G N 3.057 111.949 108.800 0.153 0.000 2.157 255 G HA2 -0.304 3.656 3.960 0.001 0.000 0.248 255 G HA3 -0.304 3.656 3.960 0.001 0.000 0.248 255 G C 0.989 176.017 174.900 0.214 0.000 0.979 255 G CA 0.474 45.735 45.100 0.268 0.000 0.650 255 G HN 1.248 nan 8.290 nan 0.000 0.529 256 A N 0.250 123.151 122.820 0.134 0.000 1.917 256 A HA 0.221 4.541 4.320 0.001 0.000 0.219 256 A C 2.819 180.454 177.584 0.085 0.000 1.182 256 A CA 2.529 54.624 52.037 0.096 0.000 0.633 256 A CB -1.042 17.990 19.000 0.053 0.000 0.819 256 A HN 1.658 nan 8.150 nan 0.000 0.448 257 G N -0.360 108.476 108.800 0.060 0.000 2.418 257 G HA2 -0.213 3.748 3.960 0.001 0.000 0.217 257 G HA3 -0.213 3.748 3.960 0.001 0.000 0.217 257 G C 1.127 176.057 174.900 0.052 0.000 1.158 257 G CA 1.164 46.301 45.100 0.061 0.000 0.771 257 G HN 0.499 nan 8.290 nan 0.000 0.545 258 D N 0.450 120.848 120.400 -0.003 0.000 2.144 258 D HA -0.075 4.565 4.640 0.001 0.000 0.200 258 D C 2.681 178.887 176.300 -0.158 0.000 0.978 258 D CA 1.430 55.370 54.000 -0.099 0.000 0.833 258 D CB -0.624 40.103 40.800 -0.122 0.000 0.961 258 D HN 0.215 nan 8.370 nan 0.000 0.470 259 T N 1.058 115.555 114.554 -0.095 0.000 2.684 259 T HA -0.171 4.179 4.350 0.001 0.000 0.267 259 T C 1.699 176.338 174.700 -0.102 0.000 1.036 259 T CA 0.831 62.863 62.100 -0.114 0.000 1.148 259 T CB -0.549 68.311 68.868 -0.012 0.000 0.863 259 T HN 0.115 nan 8.240 nan 0.000 0.436 260 F N 3.251 123.118 119.950 -0.139 0.000 2.025 260 F HA -0.238 4.290 4.527 0.001 0.000 0.297 260 F C 2.089 177.788 175.800 -0.167 0.000 1.132 260 F CA 1.607 59.538 58.000 -0.115 0.000 1.191 260 F CB -0.660 38.310 39.000 -0.050 0.000 0.963 260 F HN 0.036 nan 8.300 nan 0.000 0.481 261 N N 0.915 119.406 118.700 -0.348 0.000 2.036 261 N HA -0.231 4.509 4.740 0.001 0.000 0.195 261 N C 1.972 177.107 175.510 -0.625 0.000 1.037 261 N CA 1.966 54.516 53.050 -0.833 0.000 0.855 261 N CB -1.199 36.733 38.487 -0.925 0.000 1.033 261 N HN 0.478 nan 8.380 nan 0.000 0.423 262 A N 0.293 122.845 122.820 -0.447 0.000 1.933 262 A HA -0.071 4.249 4.320 0.001 0.000 0.218 262 A C 2.457 179.913 177.584 -0.212 0.000 1.175 262 A CA 1.788 53.619 52.037 -0.343 0.000 0.628 262 A CB -0.648 18.169 19.000 -0.305 0.000 0.814 262 A HN 0.296 nan 8.150 nan 0.000 0.444 263 S N -0.486 115.093 115.700 -0.201 0.000 2.387 263 S HA -0.091 4.380 4.470 0.001 0.000 0.226 263 S C 1.884 176.552 174.600 0.114 0.000 1.026 263 S CA 1.229 59.430 58.200 0.000 0.000 0.972 263 S CB -0.385 62.656 63.200 -0.264 0.000 0.814 263 S HN 0.346 nan 8.310 nan 0.000 0.477 264 V N 2.381 122.198 119.914 -0.162 0.000 2.255 264 V HA -0.199 3.921 4.120 0.001 0.000 0.247 264 V C 2.084 178.145 176.094 -0.055 0.000 1.051 264 V CA 1.662 63.914 62.300 -0.080 0.000 1.018 264 V CB -0.717 31.047 31.823 -0.099 0.000 0.641 264 V HN 0.441 nan 8.190 nan 0.000 0.445 265 I N -0.739 119.748 120.570 -0.137 0.000 2.151 265 I HA -0.303 3.867 4.170 0.001 0.000 0.243 265 I C 2.339 178.132 176.117 -0.541 0.000 1.080 265 I CA 2.104 63.107 61.300 -0.495 0.000 1.339 265 I CB -0.497 37.142 38.000 -0.600 0.000 1.039 265 I HN 0.338 nan 8.210 nan 0.000 0.409 266 F N 1.127 120.855 119.950 -0.370 0.000 2.069 266 F HA -0.307 4.220 4.527 0.001 0.000 0.298 266 F C 2.851 178.498 175.800 -0.256 0.000 1.113 266 F CA 2.047 59.884 58.000 -0.271 0.000 1.214 266 F CB -0.617 38.314 39.000 -0.114 0.000 0.978 266 F HN -0.006 nan 8.300 nan 0.000 0.474 267 S N 0.277 115.827 115.700 -0.248 0.000 2.356 267 S HA -0.165 4.305 4.470 0.001 0.000 0.223 267 S C 2.193 176.611 174.600 -0.303 0.000 1.032 267 S CA 1.588 59.562 58.200 -0.375 0.000 1.005 267 S CB -0.616 62.481 63.200 -0.171 0.000 0.867 267 S HN 0.448 nan 8.310 nan 0.000 0.449 268 L N 1.637 122.739 121.223 -0.202 0.000 2.017 268 L HA -0.099 4.241 4.340 0.001 0.000 0.208 268 L C 2.911 179.745 176.870 -0.060 0.000 1.073 268 L CA 1.638 56.434 54.840 -0.073 0.000 0.745 268 L CB -0.854 41.257 42.059 0.087 0.000 0.894 268 L HN 0.525 nan 8.230 nan 0.000 0.432 269 S N -1.019 114.524 115.700 -0.263 0.000 2.442 269 S HA -0.192 4.278 4.470 0.001 0.000 0.236 269 S C 1.791 176.296 174.600 -0.159 0.000 1.007 269 S CA 0.798 58.929 58.200 -0.115 0.000 0.965 269 S CB -0.234 62.800 63.200 -0.277 0.000 0.773 269 S HN 0.430 nan 8.310 nan 0.000 0.504 270 Q N 0.538 120.133 119.800 -0.341 0.000 2.444 270 Q HA 0.222 4.562 4.340 0.001 0.000 0.206 270 Q C 1.409 177.296 176.000 -0.188 0.000 0.948 270 Q CA 0.684 56.283 55.803 -0.339 0.000 0.946 270 Q CB 0.150 28.532 28.738 -0.592 0.000 1.027 270 Q HN 0.858 nan 8.270 nan 0.000 0.513 271 G N 1.475 110.206 108.800 -0.115 0.000 2.141 271 G HA2 -0.202 3.758 3.960 0.001 0.000 0.231 271 G HA3 -0.202 3.758 3.960 0.001 0.000 0.231 271 G C 0.071 174.934 174.900 -0.061 0.000 0.984 271 G CA -0.296 44.772 45.100 -0.054 0.000 0.660 271 G HN 0.075 nan 8.290 nan 0.000 0.525 272 R N 0.978 121.420 120.500 -0.096 0.000 2.637 272 R HA 0.575 4.915 4.340 0.001 0.000 0.269 272 R C 1.224 177.507 176.300 -0.028 0.000 1.089 272 R CA 0.241 56.294 56.100 -0.079 0.000 1.177 272 R CB 0.394 30.618 30.300 -0.127 0.000 1.091 272 R HN 0.756 nan 8.270 nan 0.000 0.540 273 S N -0.806 114.887 115.700 -0.012 0.000 2.600 273 S HA 0.063 4.533 4.470 0.001 0.000 0.265 273 S C 1.516 176.132 174.600 0.027 0.000 1.325 273 S CA -0.789 57.417 58.200 0.012 0.000 1.002 273 S CB 0.793 64.001 63.200 0.014 0.000 0.921 273 S HN 0.267 nan 8.310 nan 0.000 0.554 274 V N 1.467 121.405 119.914 0.040 0.000 2.332 274 V HA -0.195 3.925 4.120 0.001 0.000 0.248 274 V C 2.945 179.078 176.094 0.066 0.000 1.055 274 V CA 2.389 64.722 62.300 0.055 0.000 1.038 274 V CB -1.365 30.489 31.823 0.053 0.000 0.651 274 V HN 0.979 nan 8.190 nan 0.000 0.450 275 Q N 0.688 120.523 119.800 0.058 0.000 2.061 275 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 275 Q C 2.124 178.174 176.000 0.083 0.000 0.984 275 Q CA 2.369 58.215 55.803 0.071 0.000 0.846 275 Q CB -0.434 28.339 28.738 0.058 0.000 0.902 275 Q HN 0.653 nan 8.270 nan 0.000 0.421 276 E N -0.189 120.049 120.200 0.063 0.000 2.077 276 E HA -0.128 4.222 4.350 0.001 0.000 0.193 276 E C 1.742 178.397 176.600 0.092 0.000 0.989 276 E CA 1.722 58.161 56.400 0.064 0.000 0.800 276 E CB -0.732 28.977 29.700 0.016 0.000 0.746 276 E HN 0.411 nan 8.360 nan 0.000 0.452 277 A N 0.471 123.334 122.820 0.070 0.000 1.908 277 A HA -0.145 4.176 4.320 0.001 0.000 0.218 277 A C 2.230 179.888 177.584 0.123 0.000 1.181 277 A CA 1.556 53.648 52.037 0.092 0.000 0.627 277 A CB -0.874 18.155 19.000 0.049 0.000 0.818 277 A HN 0.376 nan 8.150 nan 0.000 0.445 278 L N -0.085 121.218 121.223 0.133 0.000 1.989 278 L HA -0.185 4.155 4.340 0.001 0.000 0.211 278 L C 2.543 179.547 176.870 0.224 0.000 1.071 278 L CA 2.519 57.479 54.840 0.199 0.000 0.749 278 L CB -0.702 41.470 42.059 0.188 0.000 0.890 278 L HN 0.526 nan 8.230 nan 0.000 0.431 279 R N -1.531 119.085 120.500 0.193 0.000 2.094 279 R HA -0.276 4.065 4.340 0.001 0.000 0.239 279 R C 2.429 178.801 176.300 0.121 0.000 1.137 279 R CA 2.291 58.519 56.100 0.213 0.000 0.943 279 R CB -0.729 29.689 30.300 0.196 0.000 0.850 279 R HN 0.380 nan 8.270 nan 0.000 0.433 280 F N 0.875 120.807 119.950 -0.030 0.000 2.171 280 F HA -0.007 4.521 4.527 0.001 0.000 0.300 280 F C 1.979 177.730 175.800 -0.080 0.000 1.090 280 F CA 1.792 59.740 58.000 -0.087 0.000 1.293 280 F CB -0.717 38.256 39.000 -0.046 0.000 1.013 280 F HN 0.150 nan 8.300 nan 0.000 0.486 281 G N -0.451 108.294 108.800 -0.092 0.000 2.440 281 G HA2 -0.291 3.670 3.960 0.001 0.000 0.218 281 G HA3 -0.291 3.670 3.960 0.001 0.000 0.218 281 G C 1.724 176.673 174.900 0.082 0.000 1.154 281 G CA 1.144 46.120 45.100 -0.208 0.000 0.767 281 G HN 0.508 nan 8.290 nan 0.000 0.552 282 C N -0.050 119.387 119.300 0.229 0.000 2.440 282 C HA -0.005 4.455 4.460 0.001 0.000 0.278 282 C C 2.922 177.940 174.990 0.046 0.000 1.295 282 C CA 0.893 60.068 59.018 0.262 0.000 1.738 282 C CB -0.937 27.038 27.740 0.393 0.000 1.987 282 C HN 0.522 nan 8.230 nan 0.000 0.492 283 Q N 0.231 119.832 119.800 -0.333 0.000 2.020 283 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 283 Q C 2.367 178.132 176.000 -0.392 0.000 0.982 283 Q CA 1.744 57.153 55.803 -0.657 0.000 0.838 283 Q CB -0.206 28.043 28.738 -0.814 0.000 0.899 283 Q HN 0.590 nan 8.270 nan 0.000 0.423 284 V N 0.714 120.330 119.914 -0.497 0.000 2.358 284 V HA -0.239 3.881 4.120 0.001 0.000 0.246 284 V C 2.219 178.211 176.094 -0.170 0.000 1.047 284 V CA 1.741 63.803 62.300 -0.396 0.000 1.035 284 V CB -1.008 30.442 31.823 -0.621 0.000 0.658 284 V HN 0.387 nan 8.190 nan 0.000 0.452 285 A N 0.684 123.453 122.820 -0.084 0.000 1.933 285 A HA -0.051 4.270 4.320 0.001 0.000 0.218 285 A C 2.399 180.003 177.584 0.033 0.000 1.175 285 A CA 1.849 53.900 52.037 0.024 0.000 0.628 285 A CB -1.152 17.923 19.000 0.125 0.000 0.814 285 A HN 0.519 nan 8.150 nan 0.000 0.444 286 G N -0.251 108.573 108.800 0.040 0.000 2.433 286 G HA2 -0.277 3.684 3.960 0.001 0.000 0.216 286 G HA3 -0.277 3.684 3.960 0.001 0.000 0.216 286 G C 1.653 176.577 174.900 0.039 0.000 1.186 286 G CA 1.208 46.351 45.100 0.072 0.000 0.779 286 G HN 0.567 nan 8.290 nan 0.000 0.543 287 K N 0.424 120.823 120.400 -0.001 0.000 2.020 287 K HA -0.173 4.147 4.320 0.001 0.000 0.212 287 K C 2.494 179.095 176.600 0.002 0.000 1.050 287 K CA 1.618 57.900 56.287 -0.009 0.000 0.929 287 K CB -0.201 32.270 32.500 -0.048 0.000 0.714 287 K HN 0.161 nan 8.250 nan 0.000 0.443 288 K N 0.886 121.289 120.400 0.005 0.000 2.074 288 K HA -0.186 4.134 4.320 0.001 0.000 0.209 288 K C 1.922 178.530 176.600 0.014 0.000 1.048 288 K CA 1.863 58.168 56.287 0.030 0.000 0.926 288 K CB -0.485 32.068 32.500 0.087 0.000 0.713 288 K HN 0.349 nan 8.250 nan 0.000 0.444 289 C N 0.023 119.335 119.300 0.020 0.000 2.419 289 C HA -0.051 4.409 4.460 0.001 0.000 0.283 289 C C 2.322 177.315 174.990 0.005 0.000 1.373 289 C CA 0.955 59.980 59.018 0.013 0.000 1.781 289 C CB -1.245 26.509 27.740 0.023 0.000 1.886 289 C HN 0.637 nan 8.230 nan 0.000 0.520 290 G N -0.732 108.073 108.800 0.008 0.000 3.141 290 G HA2 0.405 4.366 3.960 0.001 0.000 0.218 290 G HA3 0.405 4.366 3.960 0.001 0.000 0.218 290 G C 0.200 175.098 174.900 -0.004 0.000 1.170 290 G CA 0.141 45.245 45.100 0.006 0.000 0.769 290 G HN 0.473 nan 8.290 nan 0.000 0.546 291 L N -0.456 120.758 121.223 -0.016 0.000 2.388 291 L HA 0.432 4.773 4.340 0.001 0.000 0.264 291 L C -0.721 176.113 176.870 -0.060 0.000 0.998 291 L CA -1.243 53.581 54.840 -0.027 0.000 0.817 291 L CB 2.058 44.106 42.059 -0.018 0.000 1.338 291 L HN -0.190 nan 8.230 nan 0.000 0.414 292 Q N 1.705 121.468 119.800 -0.061 0.000 2.304 292 Q HA 0.444 4.784 4.340 0.001 0.000 0.260 292 Q C 0.631 176.541 176.000 -0.151 0.000 0.965 292 Q CA 0.853 56.600 55.803 -0.094 0.000 0.898 292 Q CB 1.427 30.130 28.738 -0.057 0.000 1.196 292 Q HN 0.858 nan 8.270 nan 0.000 0.402 293 G N 1.851 110.474 108.800 -0.295 0.000 2.562 293 G HA2 -0.309 3.651 3.960 0.001 0.000 0.250 293 G HA3 -0.309 3.651 3.960 0.001 0.000 0.250 293 G C -0.144 174.410 174.900 -0.577 0.000 1.269 293 G CA 0.098 44.879 45.100 -0.531 0.000 0.919 293 G HN 0.522 nan 8.290 nan 0.000 0.574 294 F N -0.190 119.759 119.950 -0.000 0.000 2.711 294 F HA 0.275 4.803 4.527 0.001 0.000 0.296 294 F C 2.246 178.046 175.800 -0.001 0.000 1.096 294 F CA 0.697 58.680 58.000 -0.029 0.000 1.280 294 F CB -0.064 38.882 39.000 -0.090 0.000 1.060 294 F HN 0.308 nan 8.300 nan 0.000 0.608 295 D N 0.577 121.097 120.400 0.199 0.000 2.221 295 D HA -0.117 4.523 4.640 0.001 0.000 0.204 295 D C 2.435 178.792 176.300 0.094 0.000 0.982 295 D CA 1.455 55.556 54.000 0.168 0.000 0.857 295 D CB -0.611 40.281 40.800 0.155 0.000 0.934 295 D HN 0.362 nan 8.370 nan 0.000 0.475 296 G N 1.396 110.234 108.800 0.064 0.000 2.559 296 G HA2 -0.137 3.823 3.960 0.001 0.000 0.216 296 G HA3 -0.137 3.823 3.960 0.001 0.000 0.216 296 G C 1.716 176.633 174.900 0.028 0.000 1.126 296 G CA 0.402 45.524 45.100 0.036 0.000 0.778 296 G HN 0.468 nan 8.290 nan 0.000 0.543 297 I N -0.555 120.036 120.570 0.035 0.000 2.454 297 I HA 0.048 4.219 4.170 0.001 0.000 0.254 297 I C 0.905 177.018 176.117 -0.008 0.000 1.156 297 I CA 0.487 61.789 61.300 0.002 0.000 1.433 297 I CB -0.504 37.486 38.000 -0.017 0.000 1.082 297 I HN 0.028 nan 8.210 nan 0.000 0.432 298 V N 0.000 119.919 119.914 0.008 0.000 2.409 298 V HA 0.000 4.120 4.120 0.001 0.000 0.244 298 V CA 0.000 62.304 62.300 0.006 0.000 1.235 298 V CB 0.000 31.823 31.823 0.000 0.000 1.184 298 V HN 0.000 nan 8.190 nan 0.000 0.556