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 3k6m_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLCGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RMISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYNKDGS IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERLSVRXXXX DATA SEQUENCE XXXXXXXXXX XVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNMTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAMI DATA SEQUENCE RGGHVNLTML GAMQVSKYGD LANWMIPGKL VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPMQQVT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.731 174.700 0.051 0.000 1.109 1 T CA 0.000 62.117 62.100 0.028 0.000 1.349 1 T CB 0.000 68.810 68.868 -0.097 0.000 0.612 2 K N 2.576 122.991 120.400 0.026 0.000 2.211 2 K HA 0.651 4.970 4.320 -0.000 0.000 0.275 2 K C -1.146 175.428 176.600 -0.044 0.000 1.024 2 K CA -0.588 55.723 56.287 0.040 0.000 0.887 2 K CB 0.529 33.052 32.500 0.038 0.000 1.084 2 K HN 0.382 nan 8.250 nan 0.000 0.463 3 F N 3.499 123.409 119.950 -0.067 0.000 2.399 3 F HA 0.344 4.871 4.527 -0.000 0.000 0.334 3 F C -0.403 175.291 175.800 -0.177 0.000 1.097 3 F CA -0.164 57.834 58.000 -0.003 0.000 1.076 3 F CB 0.816 39.813 39.000 -0.005 0.000 1.162 3 F HN 0.422 nan 8.300 nan 0.000 0.495 4 Y N -0.431 119.976 120.300 0.179 0.000 2.485 4 Y HA 0.307 4.857 4.550 -0.000 0.000 0.345 4 Y C 1.028 176.999 175.900 0.117 0.000 0.998 4 Y CA -0.905 57.265 58.100 0.117 0.000 1.059 4 Y CB 2.030 40.532 38.460 0.071 0.000 1.234 4 Y HN 0.603 nan 8.280 nan 0.000 0.461 5 T N -3.445 111.241 114.554 0.220 0.000 3.040 5 T HA 0.134 4.483 4.350 -0.000 0.000 0.250 5 T C -0.252 174.528 174.700 0.133 0.000 1.058 5 T CA 0.187 62.378 62.100 0.152 0.000 0.988 5 T CB 0.005 68.931 68.868 0.096 0.000 0.993 5 T HN 0.486 nan 8.240 nan 0.000 0.519 6 D N 0.091 120.587 120.400 0.159 0.000 2.696 6 D HA 0.675 5.314 4.640 -0.000 0.000 0.251 6 D C 1.028 177.369 176.300 0.068 0.000 1.188 6 D CA -0.401 53.657 54.000 0.097 0.000 0.876 6 D CB 1.709 42.559 40.800 0.084 0.000 1.334 6 D HN -0.005 nan 8.370 nan 0.000 0.540 7 A N 2.828 125.659 122.820 0.018 0.000 1.933 7 A HA -0.087 4.232 4.320 -0.000 0.000 0.218 7 A C 2.021 179.562 177.584 -0.072 0.000 1.175 7 A CA 1.483 53.498 52.037 -0.037 0.000 0.628 7 A CB -0.561 18.415 19.000 -0.039 0.000 0.814 7 A HN 0.503 nan 8.150 nan 0.000 0.444 8 V N -0.051 119.837 119.914 -0.043 0.000 2.343 8 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 8 V C 2.557 178.617 176.094 -0.056 0.000 1.051 8 V CA 2.380 64.647 62.300 -0.054 0.000 1.036 8 V CB -0.696 31.107 31.823 -0.032 0.000 0.654 8 V HN 0.729 nan 8.190 nan 0.000 0.451 9 E N 0.825 121.019 120.200 -0.010 0.000 2.160 9 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 9 E C 2.041 178.576 176.600 -0.109 0.000 0.991 9 E CA 1.549 57.972 56.400 0.039 0.000 0.810 9 E CB -0.406 29.409 29.700 0.192 0.000 0.742 9 E HN 0.557 nan 8.360 nan 0.000 0.466 10 A N -0.190 122.419 122.820 -0.352 0.000 2.119 10 A HA -0.024 4.295 4.320 -0.000 0.000 0.217 10 A C 1.885 179.259 177.584 -0.350 0.000 1.153 10 A CA 1.402 52.983 52.037 -0.761 0.000 0.692 10 A CB -0.123 18.452 19.000 -0.708 0.000 0.799 10 A HN 0.384 nan 8.150 nan 0.000 0.458 11 V N -3.052 116.728 119.914 -0.222 0.000 3.330 11 V HA 0.177 4.296 4.120 -0.000 0.000 0.309 11 V C 1.354 177.324 176.094 -0.208 0.000 1.481 11 V CA 0.537 62.702 62.300 -0.224 0.000 1.068 11 V CB -0.501 31.190 31.823 -0.220 0.000 0.935 11 V HN 0.576 nan 8.190 nan 0.000 0.453 12 K N 2.043 122.369 120.400 -0.124 0.000 2.283 12 K HA -0.125 4.195 4.320 -0.000 0.000 0.202 12 K C 1.174 177.727 176.600 -0.079 0.000 1.048 12 K CA 1.853 58.091 56.287 -0.083 0.000 0.948 12 K CB -0.354 32.129 32.500 -0.029 0.000 0.742 12 K HN 0.607 nan 8.250 nan 0.000 0.458 13 D N 1.239 121.598 120.400 -0.068 0.000 2.340 13 D HA 0.032 4.672 4.640 -0.000 0.000 0.217 13 D C 0.478 176.736 176.300 -0.072 0.000 1.081 13 D CA -0.298 53.698 54.000 -0.006 0.000 0.842 13 D CB -0.243 40.623 40.800 0.109 0.000 0.934 13 D HN 0.258 nan 8.370 nan 0.000 0.511 14 I N 2.853 123.204 120.570 -0.364 0.000 2.587 14 I HA 0.080 4.250 4.170 -0.000 0.000 0.284 14 I C -1.841 174.166 176.117 -0.182 0.000 1.134 14 I CA -1.282 59.694 61.300 -0.540 0.000 1.410 14 I CB 0.341 37.878 38.000 -0.771 0.000 1.392 14 I HN -0.144 nan 8.210 nan 0.000 0.545 15 P HA 0.190 nan 4.420 nan 0.000 0.282 15 P C -0.906 176.381 177.300 -0.021 0.000 1.259 15 P CA -0.692 62.403 63.100 -0.009 0.000 0.826 15 P CB 0.642 32.370 31.700 0.046 0.000 1.064 16 N N 0.270 118.958 118.700 -0.019 0.000 2.407 16 N HA 0.163 4.903 4.740 -0.000 0.000 0.250 16 N C 1.621 177.130 175.510 -0.003 0.000 1.236 16 N CA 1.633 54.671 53.050 -0.019 0.000 0.879 16 N CB -0.383 38.094 38.487 -0.015 0.000 1.088 16 N HN 0.817 nan 8.380 nan 0.000 0.450 17 G N -0.631 108.165 108.800 -0.005 0.000 2.179 17 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 17 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 17 G C 0.344 175.256 174.900 0.019 0.000 0.977 17 G CA 0.385 45.488 45.100 0.006 0.000 0.641 17 G HN 0.946 nan 8.290 nan 0.000 0.533 18 A N 0.036 122.873 122.820 0.028 0.000 2.507 18 A HA 0.557 4.877 4.320 -0.000 0.000 0.235 18 A C 0.774 178.392 177.584 0.056 0.000 1.070 18 A CA 1.472 53.551 52.037 0.070 0.000 0.768 18 A CB 0.239 19.302 19.000 0.106 0.000 1.011 18 A HN 0.819 nan 8.150 nan 0.000 0.502 19 T N 1.708 116.309 114.554 0.078 0.000 2.743 19 T HA 0.493 4.843 4.350 -0.000 0.000 0.293 19 T C -0.447 174.309 174.700 0.093 0.000 0.945 19 T CA -0.140 61.995 62.100 0.059 0.000 1.030 19 T CB 0.567 69.463 68.868 0.046 0.000 0.912 19 T HN 0.453 nan 8.240 nan 0.000 0.483 20 V N 5.545 125.495 119.914 0.060 0.000 2.483 20 V HA 0.403 4.523 4.120 -0.000 0.000 0.297 20 V C -0.137 175.980 176.094 0.038 0.000 1.027 20 V CA -0.968 61.378 62.300 0.077 0.000 0.855 20 V CB 1.641 33.484 31.823 0.033 0.000 0.995 20 V HN 0.749 nan 8.190 nan 0.000 0.424 21 L N 5.159 126.415 121.223 0.056 0.000 2.331 21 L HA 0.600 4.940 4.340 -0.000 0.000 0.278 21 L C -0.555 176.333 176.870 0.029 0.000 1.106 21 L CA -0.514 54.347 54.840 0.034 0.000 0.824 21 L CB 1.296 43.386 42.059 0.051 0.000 1.142 21 L HN 0.361 nan 8.230 nan 0.000 0.443 22 V N 2.130 122.043 119.914 -0.001 0.000 2.443 22 V HA 0.431 4.551 4.120 -0.000 0.000 0.293 22 V C 0.744 176.845 176.094 0.013 0.000 1.021 22 V CA -0.707 61.592 62.300 -0.002 0.000 0.848 22 V CB 1.411 33.210 31.823 -0.040 0.000 0.998 22 V HN 0.905 nan 8.190 nan 0.000 0.424 23 G N 2.501 111.338 108.800 0.061 0.000 2.664 23 G HA2 0.542 4.502 3.960 -0.000 0.000 0.242 23 G HA3 0.542 4.502 3.960 -0.000 0.000 0.242 23 G C 0.339 175.301 174.900 0.104 0.000 1.225 23 G CA 0.598 45.763 45.100 0.109 0.000 0.849 23 G HN 1.728 nan 8.290 nan 0.000 0.581 24 G N -1.429 107.473 108.800 0.171 0.000 2.465 24 G HA2 0.387 4.347 3.960 -0.000 0.000 0.681 24 G HA3 0.387 4.347 3.960 -0.000 0.000 0.681 24 G C -1.213 173.849 174.900 0.269 0.000 1.340 24 G CA -0.441 44.770 45.100 0.185 0.000 0.884 24 G HN 1.373 nan 8.290 nan 0.000 0.650 25 F N 2.444 122.470 119.950 0.128 0.000 2.553 25 F HA 0.588 5.115 4.527 -0.000 0.000 0.335 25 F C 1.041 176.913 175.800 0.120 0.000 1.148 25 F CA 1.352 59.441 58.000 0.148 0.000 0.963 25 F CB 1.142 40.248 39.000 0.177 0.000 1.217 25 F HN 2.197 nan 8.300 nan 0.000 0.441 26 G N 5.014 113.662 108.800 -0.255 0.000 2.622 26 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.307 26 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.307 26 G C 0.567 175.497 174.900 0.050 0.000 1.226 26 G CA 0.455 45.500 45.100 -0.092 0.000 0.997 26 G HN 0.764 nan 8.290 nan 0.000 0.551 27 L N 0.389 121.677 121.223 0.107 0.000 2.628 27 L HA 0.286 4.626 4.340 -0.000 0.000 0.229 27 L C 1.282 178.252 176.870 0.166 0.000 1.137 27 L CA -0.244 54.690 54.840 0.157 0.000 0.909 27 L CB 0.246 42.417 42.059 0.187 0.000 1.137 27 L HN 0.492 nan 8.230 nan 0.000 0.470 28 C N 1.513 120.917 119.300 0.173 0.000 2.303 28 C HA 0.556 5.016 4.460 -0.000 0.000 0.341 28 C C 1.583 176.668 174.990 0.158 0.000 1.244 28 C CA 0.204 59.319 59.018 0.162 0.000 1.765 28 C CB -0.849 27.005 27.740 0.191 0.000 2.379 28 C HN 0.837 nan 8.230 nan 0.000 0.530 29 G N 5.865 114.741 108.800 0.128 0.000 2.198 29 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.257 29 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.257 29 G C -0.109 174.882 174.900 0.152 0.000 1.042 29 G CA 0.489 45.671 45.100 0.137 0.000 0.791 29 G HN 1.380 nan 8.290 nan 0.000 0.502 30 I N -1.839 118.819 120.570 0.147 0.000 2.472 30 I HA 0.628 4.797 4.170 -0.000 0.000 0.290 30 I C -1.863 174.326 176.117 0.121 0.000 1.016 30 I CA -3.049 58.318 61.300 0.111 0.000 1.348 30 I CB 1.466 39.509 38.000 0.071 0.000 1.417 30 I HN -0.085 nan 8.210 nan 0.000 0.521 31 P HA 0.087 nan 4.420 nan 0.000 0.237 31 P C 0.238 177.545 177.300 0.011 0.000 1.788 31 P CA -0.127 63.024 63.100 0.086 0.000 1.061 31 P CB 0.074 31.811 31.700 0.061 0.000 1.967 32 E N 1.641 121.854 120.200 0.020 0.000 2.150 32 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 32 E C 0.967 177.488 176.600 -0.132 0.000 0.985 32 E CA 0.806 57.136 56.400 -0.116 0.000 0.814 32 E CB -0.469 29.194 29.700 -0.062 0.000 0.752 32 E HN 0.256 nan 8.360 nan 0.000 0.466 33 N N 1.041 119.677 118.700 -0.107 0.000 2.171 33 N HA -0.043 4.697 4.740 -0.000 0.000 0.184 33 N C 2.139 177.598 175.510 -0.084 0.000 1.021 33 N CA 0.956 53.934 53.050 -0.120 0.000 0.854 33 N CB -0.061 38.335 38.487 -0.151 0.000 0.994 33 N HN 0.254 nan 8.380 nan 0.000 0.426 34 L N 0.969 122.158 121.223 -0.057 0.000 2.093 34 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 34 L C 2.270 179.086 176.870 -0.089 0.000 1.085 34 L CA 0.699 55.501 54.840 -0.064 0.000 0.755 34 L CB -0.360 41.677 42.059 -0.038 0.000 0.904 34 L HN 0.059 nan 8.230 nan 0.000 0.435 35 I N 0.104 120.612 120.570 -0.103 0.000 2.226 35 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 35 I C 2.621 178.660 176.117 -0.131 0.000 1.100 35 I CA 1.507 62.727 61.300 -0.132 0.000 1.374 35 I CB -0.778 37.116 38.000 -0.177 0.000 1.057 35 I HN 0.274 nan 8.210 nan 0.000 0.413 36 G N 0.332 109.055 108.800 -0.129 0.000 2.422 36 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 36 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 36 G C 1.840 176.689 174.900 -0.085 0.000 1.146 36 G CA 0.807 45.845 45.100 -0.104 0.000 0.769 36 G HN 0.499 nan 8.290 nan 0.000 0.547 37 A N 0.257 123.025 122.820 -0.086 0.000 1.930 37 A HA 0.140 4.460 4.320 -0.000 0.000 0.217 37 A C 2.306 179.836 177.584 -0.090 0.000 1.175 37 A CA 1.228 53.216 52.037 -0.081 0.000 0.627 37 A CB -0.318 18.631 19.000 -0.085 0.000 0.815 37 A HN 0.289 nan 8.150 nan 0.000 0.443 38 L N -0.373 120.788 121.223 -0.103 0.000 2.141 38 L HA -0.073 4.266 4.340 -0.000 0.000 0.209 38 L C 2.369 179.185 176.870 -0.090 0.000 1.094 38 L CA 1.094 55.870 54.840 -0.108 0.000 0.763 38 L CB -0.584 41.404 42.059 -0.119 0.000 0.908 38 L HN 0.353 nan 8.230 nan 0.000 0.437 39 L N -0.772 120.400 121.223 -0.084 0.000 2.083 39 L HA -0.256 4.084 4.340 -0.000 0.000 0.209 39 L C 2.585 179.421 176.870 -0.057 0.000 1.083 39 L CA 1.338 56.137 54.840 -0.069 0.000 0.752 39 L CB -0.413 41.606 42.059 -0.067 0.000 0.899 39 L HN 0.275 nan 8.230 nan 0.000 0.433 40 K N -0.217 120.149 120.400 -0.057 0.000 2.062 40 K HA -0.156 4.164 4.320 -0.000 0.000 0.205 40 K C 2.125 178.697 176.600 -0.047 0.000 1.051 40 K CA 1.758 58.017 56.287 -0.046 0.000 0.941 40 K CB 0.009 32.484 32.500 -0.043 0.000 0.719 40 K HN 0.375 nan 8.250 nan 0.000 0.440 41 T N -3.239 111.278 114.554 -0.060 0.000 2.985 41 T HA 0.079 4.429 4.350 -0.000 0.000 0.266 41 T C 1.483 176.149 174.700 -0.057 0.000 1.076 41 T CA 0.911 62.974 62.100 -0.061 0.000 1.135 41 T CB -0.229 68.589 68.868 -0.083 0.000 0.890 41 T HN 0.403 nan 8.240 nan 0.000 0.480 42 G N 0.720 109.484 108.800 -0.060 0.000 2.143 42 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.249 42 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.249 42 G C 0.237 175.104 174.900 -0.056 0.000 0.981 42 G CA 0.124 45.193 45.100 -0.052 0.000 0.665 42 G HN 0.985 nan 8.290 nan 0.000 0.528 43 V N 1.040 120.911 119.914 -0.072 0.000 2.720 43 V HA 0.493 4.613 4.120 -0.000 0.000 0.307 43 V C 0.741 176.796 176.094 -0.065 0.000 1.071 43 V CA 1.405 63.660 62.300 -0.075 0.000 1.199 43 V CB 0.696 32.454 31.823 -0.107 0.000 0.900 43 V HN 0.840 nan 8.190 nan 0.000 0.494 44 K N 3.422 123.791 120.400 -0.051 0.000 2.399 44 K HA 0.626 4.946 4.320 -0.000 0.000 0.260 44 K C -0.077 176.502 176.600 -0.034 0.000 1.049 44 K CA -0.606 55.655 56.287 -0.043 0.000 0.890 44 K CB 1.316 33.796 32.500 -0.034 0.000 1.430 44 K HN 0.493 nan 8.250 nan 0.000 0.459 45 E N 0.278 120.461 120.200 -0.029 0.000 2.791 45 E HA -0.183 4.166 4.350 -0.000 0.000 0.271 45 E C -0.717 175.870 176.600 -0.022 0.000 1.044 45 E CA 0.379 56.766 56.400 -0.020 0.000 0.814 45 E CB -1.478 28.215 29.700 -0.012 0.000 1.400 45 E HN 0.381 nan 8.360 nan 0.000 0.423 46 L N 0.586 121.788 121.223 -0.035 0.000 2.439 46 L HA 0.175 4.514 4.340 -0.000 0.000 0.269 46 L C 0.877 177.728 176.870 -0.031 0.000 1.179 46 L CA 0.316 55.135 54.840 -0.035 0.000 0.828 46 L CB 0.701 42.728 42.059 -0.053 0.000 1.106 46 L HN -0.081 nan 8.230 nan 0.000 0.467 47 T N 2.318 116.861 114.554 -0.019 0.000 2.753 47 T HA 0.502 4.852 4.350 -0.000 0.000 0.297 47 T C -0.016 174.667 174.700 -0.029 0.000 0.981 47 T CA -0.465 61.622 62.100 -0.022 0.000 0.956 47 T CB 1.099 69.963 68.868 -0.007 0.000 0.936 47 T HN 0.642 nan 8.240 nan 0.000 0.463 48 A N 3.756 126.543 122.820 -0.055 0.000 2.258 48 A HA 0.645 4.965 4.320 -0.000 0.000 0.316 48 A C -0.117 177.424 177.584 -0.071 0.000 1.279 48 A CA -0.624 51.372 52.037 -0.070 0.000 0.876 48 A CB 0.509 19.442 19.000 -0.111 0.000 1.170 48 A HN 0.672 nan 8.150 nan 0.000 0.520 49 V N 3.509 123.390 119.914 -0.054 0.000 2.333 49 V HA 0.612 4.731 4.120 -0.000 0.000 0.274 49 V C 0.155 176.188 176.094 -0.101 0.000 1.028 49 V CA 0.235 62.497 62.300 -0.063 0.000 0.851 49 V CB 0.373 32.179 31.823 -0.030 0.000 1.000 49 V HN 1.095 nan 8.190 nan 0.000 0.456 50 S N 2.228 117.837 115.700 -0.152 0.000 2.543 50 S HA 0.315 4.784 4.470 -0.000 0.000 0.273 50 S C 0.257 174.693 174.600 -0.272 0.000 1.152 50 S CA -0.691 57.384 58.200 -0.210 0.000 0.910 50 S CB 1.495 64.606 63.200 -0.149 0.000 1.105 50 S HN 0.447 nan 8.310 nan 0.000 0.465 51 N N 2.718 121.143 118.700 -0.460 0.000 2.061 51 N HA -0.085 4.655 4.740 -0.000 0.000 0.193 51 N C 0.222 175.652 175.510 -0.134 0.000 1.030 51 N CA 2.228 55.023 53.050 -0.425 0.000 0.856 51 N CB -0.259 37.935 38.487 -0.489 0.000 1.023 51 N HN 0.781 nan 8.380 nan 0.000 0.424 52 N N -2.304 116.340 118.700 -0.094 0.000 2.966 52 N HA 0.618 5.358 4.740 -0.000 0.000 0.314 52 N C -1.358 174.157 175.510 0.007 0.000 1.397 52 N CA -0.455 52.611 53.050 0.026 0.000 0.776 52 N CB 1.499 39.964 38.487 -0.038 0.000 1.576 52 N HN 0.061 nan 8.380 nan 0.000 0.592 53 A N 0.056 122.910 122.820 0.057 0.000 2.985 53 A HA 0.694 5.013 4.320 -0.000 0.000 0.303 53 A C 0.876 178.422 177.584 -0.063 0.000 1.048 53 A CA 0.075 52.016 52.037 -0.162 0.000 1.016 53 A CB -1.122 17.487 19.000 -0.652 0.000 1.118 53 A HN 0.943 nan 8.150 nan 0.000 0.529 54 G N -0.215 108.576 108.800 -0.016 0.000 2.611 54 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.301 54 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.301 54 G C 0.552 175.491 174.900 0.065 0.000 1.233 54 G CA 1.257 46.374 45.100 0.028 0.000 0.993 54 G HN 1.991 nan 8.290 nan 0.000 0.553 55 V N -3.146 116.821 119.914 0.088 0.000 3.164 55 V HA 0.797 4.916 4.120 -0.000 0.000 0.313 55 V C 1.161 177.304 176.094 0.082 0.000 1.188 55 V CA 0.712 63.067 62.300 0.092 0.000 1.058 55 V CB 1.347 33.229 31.823 0.099 0.000 1.110 55 V HN 0.621 nan 8.190 nan 0.000 0.453 56 D N 0.677 121.122 120.400 0.074 0.000 2.133 56 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 56 D C 1.043 177.379 176.300 0.060 0.000 0.997 56 D CA 2.658 56.694 54.000 0.060 0.000 0.840 56 D CB -0.280 40.551 40.800 0.052 0.000 0.947 56 D HN 0.841 nan 8.370 nan 0.000 0.452 57 N N -1.536 117.220 118.700 0.092 0.000 2.282 57 N HA 0.261 5.001 4.740 -0.000 0.000 0.240 57 N C -0.869 174.792 175.510 0.252 0.000 1.182 57 N CA -0.242 52.879 53.050 0.118 0.000 0.874 57 N CB 0.769 39.310 38.487 0.090 0.000 1.126 57 N HN -0.009 nan 8.380 nan 0.000 0.516 58 F N -0.251 119.694 119.950 -0.007 0.000 2.713 58 F HA 0.599 5.126 4.527 -0.000 0.000 0.311 58 F C 0.768 176.560 175.800 -0.013 0.000 1.141 58 F CA 0.089 58.085 58.000 -0.007 0.000 0.939 58 F CB 0.919 39.922 39.000 0.005 0.000 1.325 58 F HN 0.088 nan 8.300 nan 0.000 0.453 59 G N 2.243 110.717 108.800 -0.542 0.000 2.552 59 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.265 59 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.265 59 G C 0.353 175.111 174.900 -0.236 0.000 1.234 59 G CA 0.111 45.013 45.100 -0.331 0.000 0.944 59 G HN 1.050 nan 8.290 nan 0.000 0.568 60 L N 2.486 123.608 121.223 -0.169 0.000 2.261 60 L HA 0.129 4.468 4.340 -0.000 0.000 0.216 60 L C 3.143 179.904 176.870 -0.182 0.000 1.114 60 L CA 2.932 57.666 54.840 -0.177 0.000 0.777 60 L CB -1.178 40.770 42.059 -0.186 0.000 0.910 60 L HN 1.055 nan 8.230 nan 0.000 0.440 61 G N -0.754 107.959 108.800 -0.145 0.000 2.475 61 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.220 61 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.220 61 G C 1.643 176.490 174.900 -0.089 0.000 1.125 61 G CA 1.036 46.071 45.100 -0.108 0.000 0.755 61 G HN 0.437 nan 8.290 nan 0.000 0.565 62 L N -0.290 120.874 121.223 -0.098 0.000 2.079 62 L HA -0.024 4.316 4.340 -0.000 0.000 0.210 62 L C 2.778 179.594 176.870 -0.090 0.000 1.081 62 L CA 0.654 55.443 54.840 -0.084 0.000 0.752 62 L CB -0.316 41.673 42.059 -0.116 0.000 0.896 62 L HN 0.207 nan 8.230 nan 0.000 0.433 63 L N -0.878 120.275 121.223 -0.117 0.000 2.313 63 L HA -0.123 4.216 4.340 -0.000 0.000 0.214 63 L C 2.349 179.153 176.870 -0.109 0.000 1.119 63 L CA 0.481 55.254 54.840 -0.111 0.000 0.809 63 L CB -0.233 41.751 42.059 -0.126 0.000 0.933 63 L HN 0.283 nan 8.230 nan 0.000 0.449 64 L N -0.902 120.245 121.223 -0.127 0.000 2.044 64 L HA -0.162 4.178 4.340 -0.000 0.000 0.205 64 L C 2.775 179.611 176.870 -0.058 0.000 1.075 64 L CA 0.921 55.695 54.840 -0.109 0.000 0.747 64 L CB -0.553 41.419 42.059 -0.146 0.000 0.903 64 L HN 0.298 nan 8.230 nan 0.000 0.435 65 Q N 0.112 119.884 119.800 -0.048 0.000 2.112 65 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 65 Q C 2.317 178.301 176.000 -0.026 0.000 0.987 65 Q CA 2.046 57.834 55.803 -0.025 0.000 0.858 65 Q CB -0.430 28.298 28.738 -0.017 0.000 0.905 65 Q HN 0.616 nan 8.270 nan 0.000 0.420 66 S N -0.198 115.479 115.700 -0.038 0.000 2.593 66 S HA 0.037 4.507 4.470 -0.000 0.000 0.217 66 S C 0.374 174.952 174.600 -0.035 0.000 0.966 66 S CA -0.130 58.048 58.200 -0.036 0.000 0.914 66 S CB 0.218 63.391 63.200 -0.044 0.000 0.776 66 S HN 0.122 nan 8.310 nan 0.000 0.523 67 K N 0.485 120.863 120.400 -0.037 0.000 3.069 67 K HA -0.218 4.101 4.320 -0.000 0.000 0.267 67 K C 0.272 176.850 176.600 -0.038 0.000 1.082 67 K CA 1.003 57.271 56.287 -0.032 0.000 0.782 67 K CB -2.470 30.020 32.500 -0.018 0.000 1.230 67 K HN 0.693 nan 8.250 nan 0.000 0.488 68 Q N -0.510 119.258 119.800 -0.053 0.000 2.392 68 Q HA 0.235 4.575 4.340 -0.000 0.000 0.203 68 Q C 0.511 176.474 176.000 -0.061 0.000 0.917 68 Q CA 0.369 56.138 55.803 -0.057 0.000 0.939 68 Q CB 0.429 29.126 28.738 -0.068 0.000 1.063 68 Q HN 0.410 nan 8.270 nan 0.000 0.516 69 I N 0.742 121.270 120.570 -0.069 0.000 2.354 69 I HA 0.117 4.286 4.170 -0.000 0.000 0.292 69 I C 0.851 176.939 176.117 -0.050 0.000 0.989 69 I CA -0.273 60.982 61.300 -0.074 0.000 1.188 69 I CB 1.624 39.554 38.000 -0.116 0.000 1.342 69 I HN -0.062 nan 8.210 nan 0.000 0.457 70 K N 5.703 126.081 120.400 -0.035 0.000 2.128 70 K HA 0.161 4.481 4.320 -0.000 0.000 0.202 70 K C 0.750 177.344 176.600 -0.010 0.000 1.050 70 K CA 0.647 56.925 56.287 -0.015 0.000 0.966 70 K CB 0.521 33.016 32.500 -0.009 0.000 0.759 70 K HN 0.545 nan 8.250 nan 0.000 0.454 71 R N 0.585 121.071 120.500 -0.024 0.000 2.621 71 R HA 0.247 4.587 4.340 -0.000 0.000 0.284 71 R C -1.284 174.986 176.300 -0.049 0.000 0.998 71 R CA -0.647 55.440 56.100 -0.022 0.000 0.895 71 R CB 1.274 31.567 30.300 -0.011 0.000 1.195 71 R HN 0.017 nan 8.270 nan 0.000 0.450 72 M N 5.270 124.840 119.600 -0.050 0.000 2.300 72 M HA 0.416 4.896 4.480 -0.000 0.000 0.348 72 M C -0.490 175.793 176.300 -0.028 0.000 1.151 72 M CA -0.564 54.699 55.300 -0.062 0.000 1.046 72 M CB 1.406 33.973 32.600 -0.055 0.000 1.647 72 M HN 0.541 nan 8.290 nan 0.000 0.451 73 I N 2.191 122.739 120.570 -0.037 0.000 2.390 73 I HA 0.403 4.573 4.170 -0.000 0.000 0.283 73 I C -0.370 175.720 176.117 -0.044 0.000 1.016 73 I CA -0.095 61.185 61.300 -0.033 0.000 1.151 73 I CB 1.195 39.177 38.000 -0.030 0.000 1.293 73 I HN 0.599 nan 8.210 nan 0.000 0.458 74 S N 2.016 117.702 115.700 -0.024 0.000 2.596 74 S HA 0.261 4.730 4.470 -0.000 0.000 0.270 74 S C 0.433 175.026 174.600 -0.013 0.000 1.155 74 S CA -0.575 57.614 58.200 -0.017 0.000 0.827 74 S CB 2.053 65.319 63.200 0.110 0.000 1.130 74 S HN 0.693 nan 8.310 nan 0.000 0.467 75 S N 0.017 115.716 115.700 -0.002 0.000 2.497 75 S HA 0.290 4.760 4.470 -0.000 0.000 0.221 75 S C -0.209 174.492 174.600 0.169 0.000 1.037 75 S CA 0.207 58.434 58.200 0.045 0.000 0.920 75 S CB 0.004 63.228 63.200 0.040 0.000 0.800 75 S HN 0.697 nan 8.310 nan 0.000 0.505 76 Y N 0.087 120.369 120.300 -0.031 0.000 2.390 76 Y HA 0.455 5.005 4.550 -0.000 0.000 0.324 76 Y C 0.352 176.210 175.900 -0.068 0.000 1.151 76 Y CA -1.286 56.792 58.100 -0.037 0.000 1.053 76 Y CB 1.371 39.826 38.460 -0.009 0.000 1.277 76 Y HN -0.154 nan 8.280 nan 0.000 0.432 77 V N 4.620 124.149 119.914 -0.641 0.000 2.453 77 V HA 0.053 4.173 4.120 -0.000 0.000 0.247 77 V C 1.580 177.423 176.094 -0.419 0.000 1.048 77 V CA 1.979 63.859 62.300 -0.699 0.000 1.049 77 V CB -1.195 30.070 31.823 -0.929 0.000 0.672 77 V HN 1.242 nan 8.190 nan 0.000 0.457 78 G N 0.763 109.113 108.800 -0.751 0.000 2.564 78 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.273 78 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.273 78 G C -0.030 174.803 174.900 -0.111 0.000 1.242 78 G CA 0.187 45.150 45.100 -0.228 0.000 0.951 78 G HN 0.408 nan 8.290 nan 0.000 0.564 79 E N 1.970 122.176 120.200 0.011 0.000 2.232 79 E HA 0.214 4.564 4.350 -0.000 0.000 0.296 79 E C 0.224 176.846 176.600 0.037 0.000 1.372 79 E CA -0.239 56.174 56.400 0.022 0.000 1.527 79 E CB -0.076 29.652 29.700 0.046 0.000 1.424 79 E HN 0.395 nan 8.360 nan 0.000 0.485 80 N N 0.666 119.389 118.700 0.038 0.000 2.623 80 N HA 0.206 4.945 4.740 -0.000 0.000 0.256 80 N C 0.363 175.921 175.510 0.080 0.000 1.045 80 N CA -0.222 52.884 53.050 0.094 0.000 0.863 80 N CB 1.227 39.835 38.487 0.202 0.000 1.182 80 N HN 0.073 nan 8.380 nan 0.000 0.523 81 A N 2.377 125.228 122.820 0.052 0.000 1.969 81 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 81 A C 1.821 179.443 177.584 0.064 0.000 1.169 81 A CA 1.431 53.490 52.037 0.036 0.000 0.635 81 A CB -0.196 18.817 19.000 0.022 0.000 0.810 81 A HN 0.653 nan 8.150 nan 0.000 0.445 82 E N -0.481 119.771 120.200 0.087 0.000 2.072 82 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 82 E C 1.679 178.381 176.600 0.170 0.000 0.982 82 E CA 1.010 57.467 56.400 0.094 0.000 0.803 82 E CB -0.520 29.219 29.700 0.064 0.000 0.755 82 E HN 0.618 nan 8.360 nan 0.000 0.453 83 F N 1.108 121.056 119.950 -0.003 0.000 2.043 83 F HA -0.281 4.246 4.527 -0.000 0.000 0.297 83 F C 2.375 178.201 175.800 0.043 0.000 1.121 83 F CA 1.781 59.780 58.000 -0.003 0.000 1.199 83 F CB -0.062 38.915 39.000 -0.039 0.000 0.968 83 F HN 0.171 nan 8.300 nan 0.000 0.478 84 E N 0.370 120.642 120.200 0.120 0.000 2.085 84 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 84 E C 2.395 179.043 176.600 0.080 0.000 0.994 84 E CA 1.231 57.644 56.400 0.022 0.000 0.801 84 E CB -0.250 29.423 29.700 -0.045 0.000 0.743 84 E HN 0.353 nan 8.360 nan 0.000 0.453 85 R N 0.210 120.757 120.500 0.078 0.000 2.066 85 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 85 R C 2.389 178.737 176.300 0.081 0.000 1.131 85 R CA 1.731 57.859 56.100 0.047 0.000 0.955 85 R CB -0.103 30.219 30.300 0.037 0.000 0.851 85 R HN 0.280 nan 8.270 nan 0.000 0.432 86 Q N -0.861 119.022 119.800 0.139 0.000 2.124 86 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 86 Q C 1.835 177.973 176.000 0.229 0.000 0.977 86 Q CA 1.618 57.513 55.803 0.154 0.000 0.850 86 Q CB -0.204 28.627 28.738 0.155 0.000 0.901 86 Q HN 0.380 nan 8.270 nan 0.000 0.429 87 Y N 1.090 121.463 120.300 0.122 0.000 2.153 87 Y HA -0.144 4.405 4.550 -0.000 0.000 0.289 87 Y C 1.803 177.787 175.900 0.140 0.000 1.127 87 Y CA 1.137 59.330 58.100 0.153 0.000 1.131 87 Y CB -0.510 38.026 38.460 0.127 0.000 0.995 87 Y HN -0.002 nan 8.280 nan 0.000 0.505 88 L N -0.138 121.028 121.223 -0.094 0.000 2.131 88 L HA -0.196 4.143 4.340 -0.000 0.000 0.210 88 L C 2.517 179.255 176.870 -0.220 0.000 1.092 88 L CA 1.236 55.841 54.840 -0.391 0.000 0.759 88 L CB -0.758 41.097 42.059 -0.339 0.000 0.903 88 L HN 0.318 nan 8.230 nan 0.000 0.435 89 A N -0.796 121.993 122.820 -0.052 0.000 2.167 89 A HA 0.224 4.544 4.320 -0.000 0.000 0.214 89 A C 1.778 179.386 177.584 0.039 0.000 1.151 89 A CA 0.847 52.875 52.037 -0.015 0.000 0.735 89 A CB -0.348 18.657 19.000 0.008 0.000 0.802 89 A HN 0.525 nan 8.150 nan 0.000 0.467 90 G N -0.823 108.039 108.800 0.104 0.000 2.141 90 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.242 90 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.242 90 G C 0.477 175.446 174.900 0.116 0.000 0.982 90 G CA 0.616 45.798 45.100 0.137 0.000 0.662 90 G HN 0.584 nan 8.290 nan 0.000 0.527 91 E N -1.292 118.977 120.200 0.114 0.000 2.318 91 E HA 0.324 4.674 4.350 -0.000 0.000 0.193 91 E C 0.718 177.378 176.600 0.101 0.000 0.998 91 E CA 0.405 56.858 56.400 0.089 0.000 0.859 91 E CB 0.522 30.264 29.700 0.070 0.000 0.812 91 E HN 0.436 nan 8.360 nan 0.000 0.492 92 L N 1.272 122.588 121.223 0.157 0.000 2.386 92 L HA 0.301 4.640 4.340 -0.000 0.000 0.271 92 L C -1.159 175.824 176.870 0.188 0.000 0.993 92 L CA -0.599 54.329 54.840 0.147 0.000 0.819 92 L CB 1.915 44.074 42.059 0.166 0.000 1.294 92 L HN -0.215 nan 8.230 nan 0.000 0.414 93 E N 3.453 123.718 120.200 0.107 0.000 2.283 93 E HA 0.572 4.922 4.350 -0.000 0.000 0.278 93 E C -1.267 175.340 176.600 0.013 0.000 1.027 93 E CA -0.562 55.890 56.400 0.087 0.000 0.843 93 E CB 1.920 31.648 29.700 0.047 0.000 1.062 93 E HN 0.403 nan 8.360 nan 0.000 0.401 94 V N 3.015 122.891 119.914 -0.063 0.000 2.612 94 V HA 0.125 4.244 4.120 -0.000 0.000 0.301 94 V C -0.685 175.337 176.094 -0.120 0.000 1.059 94 V CA -0.810 61.371 62.300 -0.199 0.000 0.886 94 V CB 1.787 33.197 31.823 -0.688 0.000 1.007 94 V HN 0.661 nan 8.190 nan 0.000 0.426 95 E N 4.943 125.107 120.200 -0.060 0.000 2.001 95 E HA 0.392 4.742 4.350 -0.000 0.000 0.279 95 E C -0.774 175.808 176.600 -0.030 0.000 1.045 95 E CA -0.395 55.988 56.400 -0.027 0.000 0.833 95 E CB 1.201 30.892 29.700 -0.016 0.000 1.077 95 E HN 0.534 nan 8.360 nan 0.000 0.397 96 L N 3.571 124.791 121.223 -0.006 0.000 2.500 96 L HA 0.113 4.453 4.340 -0.000 0.000 0.272 96 L C 0.130 176.981 176.870 -0.032 0.000 1.149 96 L CA 0.351 55.195 54.840 0.006 0.000 0.897 96 L CB -0.008 42.121 42.059 0.117 0.000 1.178 96 L HN 0.395 nan 8.230 nan 0.000 0.473 97 T N 4.284 118.809 114.554 -0.048 0.000 2.841 97 T HA 0.355 4.705 4.350 -0.000 0.000 0.285 97 T C -2.474 172.174 174.700 -0.087 0.000 0.991 97 T CA -1.536 60.527 62.100 -0.062 0.000 0.966 97 T CB 1.907 70.752 68.868 -0.037 0.000 0.962 97 T HN 0.214 nan 8.240 nan 0.000 0.438 98 P HA 0.065 nan 4.420 nan 0.000 0.264 98 P C 0.793 177.998 177.300 -0.159 0.000 1.183 98 P CA 0.078 63.089 63.100 -0.148 0.000 0.763 98 P CB 0.625 32.240 31.700 -0.140 0.000 0.807 99 Q N 2.769 122.443 119.800 -0.210 0.000 2.135 99 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 99 Q C 2.027 177.661 176.000 -0.609 0.000 0.981 99 Q CA 2.214 57.868 55.803 -0.248 0.000 0.856 99 Q CB -0.680 27.994 28.738 -0.107 0.000 0.902 99 Q HN 0.696 nan 8.270 nan 0.000 0.425 100 G N -0.954 107.163 108.800 -1.139 0.000 2.421 100 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.217 100 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.217 100 G C 1.302 176.072 174.900 -0.218 0.000 1.143 100 G CA 1.048 45.576 45.100 -0.953 0.000 0.784 100 G HN 0.329 nan 8.290 nan 0.000 0.541 101 T N 1.242 115.731 114.554 -0.108 0.000 2.746 101 T HA -0.114 4.235 4.350 -0.000 0.000 0.267 101 T C 2.235 176.994 174.700 0.098 0.000 1.039 101 T CA 1.100 63.242 62.100 0.070 0.000 1.142 101 T CB -0.216 68.678 68.868 0.043 0.000 0.866 101 T HN 0.124 nan 8.240 nan 0.000 0.444 102 L N 1.654 122.905 121.223 0.047 0.000 1.989 102 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 102 L C 2.656 179.657 176.870 0.218 0.000 1.071 102 L CA 2.165 57.075 54.840 0.117 0.000 0.749 102 L CB -1.173 40.940 42.059 0.091 0.000 0.890 102 L HN 0.239 nan 8.230 nan 0.000 0.431 103 A N -1.138 121.828 122.820 0.244 0.000 1.908 103 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 103 A C 2.271 179.870 177.584 0.025 0.000 1.181 103 A CA 1.870 53.987 52.037 0.133 0.000 0.627 103 A CB -0.701 18.236 19.000 -0.104 0.000 0.818 103 A HN 0.547 nan 8.150 nan 0.000 0.445 104 E N -0.136 120.064 120.200 -0.000 0.000 2.152 104 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 104 E C 2.159 178.713 176.600 -0.077 0.000 0.983 104 E CA 1.022 57.334 56.400 -0.146 0.000 0.818 104 E CB -0.192 29.334 29.700 -0.290 0.000 0.758 104 E HN 0.590 nan 8.360 nan 0.000 0.467 105 R N -0.245 120.369 120.500 0.190 0.000 2.092 105 R HA -0.001 4.338 4.340 -0.000 0.000 0.231 105 R C 2.379 178.759 176.300 0.133 0.000 1.119 105 R CA 1.400 57.667 56.100 0.278 0.000 0.970 105 R CB -0.290 30.146 30.300 0.227 0.000 0.864 105 R HN 0.263 nan 8.270 nan 0.000 0.440 106 I N 0.236 120.864 120.570 0.098 0.000 2.202 106 I HA -0.262 3.907 4.170 -0.000 0.000 0.242 106 I C 2.782 178.910 176.117 0.018 0.000 1.091 106 I CA 1.066 62.407 61.300 0.070 0.000 1.368 106 I CB -0.297 37.770 38.000 0.110 0.000 1.058 106 I HN 0.140 nan 8.210 nan 0.000 0.410 107 R N 1.389 121.875 120.500 -0.024 0.000 2.083 107 R HA -0.230 4.109 4.340 -0.000 0.000 0.237 107 R C 2.352 178.616 176.300 -0.060 0.000 1.137 107 R CA 1.872 57.929 56.100 -0.072 0.000 0.951 107 R CB -0.318 29.908 30.300 -0.123 0.000 0.851 107 R HN 0.374 nan 8.270 nan 0.000 0.434 108 A N 0.319 123.105 122.820 -0.056 0.000 1.908 108 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 108 A C 2.380 179.983 177.584 0.031 0.000 1.181 108 A CA 1.802 53.834 52.037 -0.009 0.000 0.627 108 A CB -1.304 17.746 19.000 0.084 0.000 0.818 108 A HN 0.599 nan 8.150 nan 0.000 0.445 109 G N -0.967 107.860 108.800 0.044 0.000 2.462 109 G HA2 0.023 3.982 3.960 -0.000 0.000 0.220 109 G HA3 0.023 3.982 3.960 -0.000 0.000 0.220 109 G C 1.281 176.201 174.900 0.033 0.000 1.121 109 G CA 1.254 46.379 45.100 0.041 0.000 0.758 109 G HN 0.793 nan 8.290 nan 0.000 0.559 110 G N -0.478 108.331 108.800 0.015 0.000 2.887 110 G HA2 0.367 4.327 3.960 -0.000 0.000 0.211 110 G HA3 0.367 4.327 3.960 -0.000 0.000 0.211 110 G C 1.207 176.135 174.900 0.047 0.000 1.152 110 G CA 0.986 46.100 45.100 0.023 0.000 0.769 110 G HN 0.591 nan 8.290 nan 0.000 0.541 111 A N -0.479 122.357 122.820 0.026 0.000 2.503 111 A HA 0.542 4.861 4.320 -0.000 0.000 0.263 111 A C 1.687 179.289 177.584 0.030 0.000 1.258 111 A CA 0.938 52.991 52.037 0.028 0.000 0.936 111 A CB -0.157 18.840 19.000 -0.006 0.000 1.070 111 A HN 1.370 nan 8.150 nan 0.000 0.522 112 G N -1.044 107.778 108.800 0.037 0.000 2.143 112 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.248 112 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.248 112 G C 0.054 174.974 174.900 0.034 0.000 0.991 112 G CA 0.266 45.387 45.100 0.035 0.000 0.689 112 G HN 0.882 nan 8.290 nan 0.000 0.522 113 V N 1.914 121.851 119.914 0.039 0.000 2.328 113 V HA 0.370 4.490 4.120 -0.000 0.000 0.278 113 V C -0.187 175.954 176.094 0.078 0.000 1.021 113 V CA -0.664 61.669 62.300 0.055 0.000 0.838 113 V CB 1.679 33.532 31.823 0.050 0.000 0.999 113 V HN 0.169 nan 8.190 nan 0.000 0.447 114 P HA 0.151 nan 4.420 nan 0.000 0.227 114 P C 0.217 177.546 177.300 0.049 0.000 1.161 114 P CA 0.738 63.868 63.100 0.050 0.000 0.788 114 P CB 0.835 32.551 31.700 0.028 0.000 0.822 115 A N -0.712 122.145 122.820 0.062 0.000 2.605 115 A HA 0.655 4.975 4.320 -0.000 0.000 0.294 115 A C -1.464 176.141 177.584 0.036 0.000 1.062 115 A CA -0.644 51.374 52.037 -0.031 0.000 0.682 115 A CB 0.622 19.533 19.000 -0.148 0.000 1.278 115 A HN 0.109 nan 8.150 nan 0.000 0.410 116 F N -1.488 118.358 119.950 -0.173 0.000 2.711 116 F HA 0.830 5.356 4.527 -0.000 0.000 0.313 116 F C -1.716 173.921 175.800 -0.272 0.000 1.141 116 F CA -1.365 56.538 58.000 -0.162 0.000 0.941 116 F CB 0.800 39.757 39.000 -0.071 0.000 1.349 116 F HN 0.501 nan 8.300 nan 0.000 0.464 117 Y N 0.282 120.610 120.300 0.047 0.000 2.361 117 Y HA 0.632 5.182 4.550 -0.000 0.000 0.332 117 Y C 0.382 176.408 175.900 0.211 0.000 1.101 117 Y CA -0.440 57.675 58.100 0.025 0.000 1.137 117 Y CB 2.063 40.487 38.460 -0.059 0.000 1.207 117 Y HN 0.880 nan 8.280 nan 0.000 0.463 118 T N -0.150 114.664 114.554 0.433 0.000 2.923 118 T HA 0.246 4.595 4.350 -0.000 0.000 0.311 118 T C 0.495 175.507 174.700 0.519 0.000 1.183 118 T CA -0.261 62.136 62.100 0.494 0.000 1.020 118 T CB 0.916 70.016 68.868 0.386 0.000 1.165 118 T HN 0.664 nan 8.240 nan 0.000 0.482 119 S N 1.715 117.672 115.700 0.428 0.000 2.496 119 S HA 0.091 4.561 4.470 -0.000 0.000 0.224 119 S C 0.898 175.581 174.600 0.138 0.000 0.996 119 S CA 0.076 58.332 58.200 0.094 0.000 0.927 119 S CB -0.472 62.618 63.200 -0.183 0.000 0.774 119 S HN 0.755 nan 8.310 nan 0.000 0.524 120 T N 2.642 117.292 114.554 0.160 0.000 2.831 120 T HA 0.451 4.801 4.350 -0.000 0.000 0.291 120 T C 1.371 176.120 174.700 0.083 0.000 0.981 120 T CA 0.851 63.014 62.100 0.106 0.000 1.174 120 T CB 0.305 69.230 68.868 0.094 0.000 0.929 120 T HN 0.841 nan 8.240 nan 0.000 0.532 121 G N 2.803 111.631 108.800 0.047 0.000 2.217 121 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.246 121 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.246 121 G C 0.079 175.008 174.900 0.049 0.000 0.990 121 G CA -0.055 45.051 45.100 0.011 0.000 0.627 121 G HN 0.832 nan 8.290 nan 0.000 0.522 122 Y N 1.527 121.831 120.300 0.006 0.000 2.717 122 Y HA 0.318 4.867 4.550 -0.000 0.000 0.330 122 Y C 1.521 177.416 175.900 -0.008 0.000 1.217 122 Y CA 1.474 59.575 58.100 0.003 0.000 1.506 122 Y CB 0.527 38.982 38.460 -0.009 0.000 1.268 122 Y HN 1.543 nan 8.280 nan 0.000 0.561 123 G N 3.289 111.542 108.800 -0.911 0.000 2.143 123 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.248 123 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.248 123 G C 0.085 174.844 174.900 -0.235 0.000 0.991 123 G CA 0.564 45.272 45.100 -0.652 0.000 0.689 123 G HN 1.290 nan 8.290 nan 0.000 0.522 124 T N -3.280 111.193 114.554 -0.136 0.000 2.864 124 T HA 0.689 5.039 4.350 -0.000 0.000 0.289 124 T C 1.455 176.175 174.700 0.034 0.000 1.082 124 T CA -0.233 61.873 62.100 0.009 0.000 1.009 124 T CB 1.307 70.197 68.868 0.037 0.000 1.234 124 T HN 0.276 nan 8.240 nan 0.000 0.526 125 L N 0.943 122.251 121.223 0.143 0.000 2.261 125 L HA -0.072 4.267 4.340 -0.000 0.000 0.216 125 L C 2.725 179.643 176.870 0.080 0.000 1.114 125 L CA 0.680 55.599 54.840 0.131 0.000 0.777 125 L CB -0.763 41.439 42.059 0.239 0.000 0.910 125 L HN 0.562 nan 8.230 nan 0.000 0.440 126 V N -0.323 119.616 119.914 0.042 0.000 2.261 126 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 126 V C 2.524 178.623 176.094 0.008 0.000 1.047 126 V CA 2.091 64.392 62.300 0.002 0.000 1.015 126 V CB -0.577 31.217 31.823 -0.049 0.000 0.642 126 V HN 0.561 nan 8.190 nan 0.000 0.446 127 Q N 0.186 119.989 119.800 0.006 0.000 2.083 127 Q HA -0.215 4.125 4.340 -0.000 0.000 0.198 127 Q C 2.118 178.123 176.000 0.009 0.000 0.969 127 Q CA 1.925 57.740 55.803 0.019 0.000 0.838 127 Q CB -0.055 28.692 28.738 0.015 0.000 0.900 127 Q HN 0.759 nan 8.270 nan 0.000 0.436 128 E N -0.283 119.911 120.200 -0.009 0.000 2.285 128 E HA 0.110 4.460 4.350 -0.000 0.000 0.194 128 E C 0.723 177.327 176.600 0.007 0.000 0.997 128 E CA 0.385 56.780 56.400 -0.008 0.000 0.845 128 E CB 0.040 29.728 29.700 -0.020 0.000 0.782 128 E HN 0.524 nan 8.360 nan 0.000 0.491 129 G N -0.686 108.124 108.800 0.017 0.000 2.781 129 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.683 129 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.683 129 G C 0.569 175.483 174.900 0.023 0.000 1.390 129 G CA -0.478 44.632 45.100 0.018 0.000 0.850 129 G HN 0.670 nan 8.290 nan 0.000 0.557 130 G N -1.741 107.070 108.800 0.018 0.000 2.176 130 G HA2 0.103 4.063 3.960 -0.000 0.000 0.232 130 G HA3 0.103 4.063 3.960 -0.000 0.000 0.232 130 G C 0.762 175.676 174.900 0.025 0.000 0.986 130 G CA 1.386 46.493 45.100 0.013 0.000 0.643 130 G HN 2.262 nan 8.290 nan 0.000 0.522 131 S N 1.827 117.560 115.700 0.056 0.000 2.510 131 S HA 0.527 4.996 4.470 -0.000 0.000 0.279 131 S C -2.067 172.550 174.600 0.028 0.000 1.284 131 S CA -0.791 57.468 58.200 0.099 0.000 1.059 131 S CB 0.801 64.094 63.200 0.155 0.000 0.901 131 S HN 0.169 nan 8.310 nan 0.000 0.491 132 P HA 0.185 nan 4.420 nan 0.000 0.271 132 P C 0.185 177.468 177.300 -0.029 0.000 1.233 132 P CA 0.067 63.042 63.100 -0.208 0.000 0.764 132 P CB 0.386 31.690 31.700 -0.660 0.000 0.825 133 I N 2.046 122.594 120.570 -0.037 0.000 2.810 133 I HA 0.079 4.248 4.170 -0.000 0.000 0.262 133 I C 1.140 177.313 176.117 0.093 0.000 1.131 133 I CA 0.817 62.145 61.300 0.046 0.000 1.453 133 I CB 0.141 38.149 38.000 0.014 0.000 1.161 133 I HN 0.253 nan 8.210 nan 0.000 0.444 134 K N 0.198 120.589 120.400 -0.014 0.000 2.427 134 K HA 0.387 4.707 4.320 -0.000 0.000 0.252 134 K C -1.653 174.887 176.600 -0.101 0.000 0.931 134 K CA -0.564 55.742 56.287 0.032 0.000 0.793 134 K CB 1.798 34.328 32.500 0.051 0.000 1.211 134 K HN -0.221 nan 8.250 nan 0.000 0.426 135 Y N 1.391 121.706 120.300 0.026 0.000 2.376 135 Y HA 0.272 4.822 4.550 -0.000 0.000 0.325 135 Y C 0.859 176.750 175.900 -0.016 0.000 1.199 135 Y CA -0.422 57.656 58.100 -0.036 0.000 1.206 135 Y CB 1.040 39.430 38.460 -0.118 0.000 1.229 135 Y HN 0.553 nan 8.280 nan 0.000 0.480 136 N N 1.202 120.000 118.700 0.162 0.000 2.445 136 N HA 0.109 4.848 4.740 -0.000 0.000 0.264 136 N C 0.764 176.316 175.510 0.069 0.000 1.227 136 N CA -0.227 52.877 53.050 0.089 0.000 0.963 136 N CB 0.831 39.352 38.487 0.057 0.000 1.188 136 N HN 0.607 nan 8.380 nan 0.000 0.491 137 K N 0.224 120.645 120.400 0.035 0.000 2.152 137 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 137 K C 0.403 176.996 176.600 -0.012 0.000 1.048 137 K CA 1.647 57.939 56.287 0.008 0.000 0.933 137 K CB -0.098 32.406 32.500 0.006 0.000 0.721 137 K HN 0.599 nan 8.250 nan 0.000 0.447 138 D N -1.309 119.090 120.400 -0.002 0.000 2.328 138 D HA 0.061 4.700 4.640 -0.000 0.000 0.226 138 D C 0.971 177.258 176.300 -0.021 0.000 1.066 138 D CA 0.560 54.551 54.000 -0.014 0.000 0.861 138 D CB 0.402 41.200 40.800 -0.005 0.000 0.912 138 D HN 0.233 nan 8.370 nan 0.000 0.521 139 G N -0.050 108.739 108.800 -0.018 0.000 2.199 139 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.254 139 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.254 139 G C 0.552 175.513 174.900 0.102 0.000 0.982 139 G CA 0.399 45.476 45.100 -0.037 0.000 0.632 139 G HN 0.813 nan 8.290 nan 0.000 0.529 140 S N -0.288 115.468 115.700 0.093 0.000 2.634 140 S HA 0.717 5.186 4.470 -0.000 0.000 0.261 140 S C 0.433 175.106 174.600 0.121 0.000 1.271 140 S CA -0.614 57.641 58.200 0.091 0.000 0.985 140 S CB 1.392 64.615 63.200 0.040 0.000 0.968 140 S HN 0.588 nan 8.310 nan 0.000 0.568 141 I N 1.491 122.080 120.570 0.033 0.000 2.315 141 I HA 0.349 4.518 4.170 -0.000 0.000 0.291 141 I C 1.080 177.175 176.117 -0.038 0.000 1.006 141 I CA -0.597 60.664 61.300 -0.064 0.000 1.265 141 I CB 1.345 39.282 38.000 -0.106 0.000 1.387 141 I HN 0.909 nan 8.210 nan 0.000 0.475 142 A N 7.474 130.270 122.820 -0.040 0.000 1.911 142 A HA 0.344 4.664 4.320 -0.000 0.000 0.212 142 A C 0.865 178.436 177.584 -0.023 0.000 1.189 142 A CA 0.869 52.898 52.037 -0.013 0.000 0.639 142 A CB 0.185 19.192 19.000 0.011 0.000 0.839 142 A HN 0.626 nan 8.150 nan 0.000 0.449 143 I N -0.201 120.343 120.570 -0.042 0.000 2.478 143 I HA 0.543 4.713 4.170 -0.000 0.000 0.287 143 I C -0.268 175.817 176.117 -0.054 0.000 1.042 143 I CA -0.597 60.684 61.300 -0.032 0.000 1.067 143 I CB 2.020 40.012 38.000 -0.012 0.000 1.233 143 I HN 0.179 nan 8.210 nan 0.000 0.431 144 A N 4.261 127.058 122.820 -0.038 0.000 2.325 144 A HA 0.738 5.058 4.320 -0.000 0.000 0.333 144 A C 0.217 177.794 177.584 -0.013 0.000 1.155 144 A CA -0.526 51.490 52.037 -0.035 0.000 0.814 144 A CB 1.150 20.133 19.000 -0.028 0.000 1.206 144 A HN 0.770 nan 8.150 nan 0.000 0.482 145 S N 1.693 117.392 115.700 -0.001 0.000 2.573 145 S HA 0.278 4.748 4.470 -0.000 0.000 0.277 145 S C -0.093 174.510 174.600 0.005 0.000 1.346 145 S CA -0.095 58.109 58.200 0.007 0.000 1.034 145 S CB 0.209 63.420 63.200 0.020 0.000 0.879 145 S HN 0.610 nan 8.310 nan 0.000 0.528 146 K N 1.722 122.124 120.400 0.003 0.000 2.098 146 K HA 0.453 4.773 4.320 -0.000 0.000 0.261 146 K C -2.611 173.992 176.600 0.005 0.000 0.987 146 K CA -2.096 54.193 56.287 0.003 0.000 0.916 146 K CB 0.250 32.750 32.500 0.000 0.000 1.039 146 K HN 0.430 nan 8.250 nan 0.000 0.455 147 P HA 0.038 nan 4.420 nan 0.000 0.269 147 P C -0.780 176.528 177.300 0.013 0.000 1.215 147 P CA -0.059 63.050 63.100 0.014 0.000 0.780 147 P CB 0.549 32.260 31.700 0.018 0.000 0.898 148 R N 1.802 122.315 120.500 0.022 0.000 2.474 148 R HA 0.292 4.632 4.340 -0.000 0.000 0.295 148 R C 0.241 176.576 176.300 0.059 0.000 0.980 148 R CA -0.657 55.456 56.100 0.021 0.000 0.934 148 R CB 0.591 30.900 30.300 0.015 0.000 1.101 148 R HN 0.545 nan 8.270 nan 0.000 0.469 149 E N 1.106 121.341 120.200 0.059 0.000 2.414 149 E HA 0.088 4.438 4.350 -0.000 0.000 0.263 149 E C -0.373 176.350 176.600 0.205 0.000 1.000 149 E CA 0.031 56.498 56.400 0.113 0.000 0.914 149 E CB 0.917 30.680 29.700 0.105 0.000 0.948 149 E HN 0.123 nan 8.360 nan 0.000 0.444 150 V N 3.750 123.796 119.914 0.221 0.000 2.483 150 V HA 0.474 4.593 4.120 -0.000 0.000 0.295 150 V C -0.000 176.229 176.094 0.225 0.000 1.035 150 V CA -0.541 61.925 62.300 0.277 0.000 0.896 150 V CB 1.552 33.545 31.823 0.283 0.000 0.986 150 V HN 0.612 nan 8.190 nan 0.000 0.447 151 R N 2.657 123.275 120.500 0.196 0.000 2.651 151 R HA 0.463 4.802 4.340 -0.000 0.000 0.278 151 R C -0.996 175.198 176.300 -0.176 0.000 1.010 151 R CA -0.601 55.449 56.100 -0.083 0.000 0.896 151 R CB 2.087 32.207 30.300 -0.299 0.000 1.211 151 R HN 0.844 nan 8.270 nan 0.000 0.456 152 E N 3.887 123.863 120.200 -0.373 0.000 2.197 152 E HA 0.304 4.654 4.350 -0.000 0.000 0.281 152 E C -1.510 174.770 176.600 -0.533 0.000 0.995 152 E CA -0.439 55.734 56.400 -0.379 0.000 0.808 152 E CB 0.760 30.184 29.700 -0.459 0.000 1.093 152 E HN 0.377 nan 8.360 nan 0.000 0.394 153 F N 3.225 123.170 119.950 -0.007 0.000 2.547 153 F HA 0.292 4.819 4.527 -0.000 0.000 0.316 153 F C 0.286 176.105 175.800 0.031 0.000 1.121 153 F CA -0.981 56.977 58.000 -0.068 0.000 0.911 153 F CB 1.682 40.514 39.000 -0.280 0.000 1.179 153 F HN 0.521 nan 8.300 nan 0.000 0.443 154 N N 1.863 120.642 118.700 0.132 0.000 2.725 154 N HA -0.208 4.531 4.740 -0.000 0.000 0.249 154 N C 0.996 176.541 175.510 0.058 0.000 1.103 154 N CA 1.243 54.348 53.050 0.091 0.000 0.707 154 N CB -1.241 37.316 38.487 0.115 0.000 1.043 154 N HN 1.215 nan 8.380 nan 0.000 0.553 155 G N -0.544 108.254 108.800 -0.005 0.000 2.162 155 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.260 155 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.260 155 G C -0.223 174.618 174.900 -0.100 0.000 0.976 155 G CA 0.877 45.942 45.100 -0.059 0.000 0.655 155 G HN 0.727 nan 8.290 nan 0.000 0.533 156 Q N -0.153 119.602 119.800 -0.076 0.000 2.377 156 Q HA 0.543 4.883 4.340 -0.000 0.000 0.271 156 Q C -0.588 175.168 176.000 -0.407 0.000 1.077 156 Q CA -0.954 54.716 55.803 -0.221 0.000 0.820 156 Q CB 1.193 29.812 28.738 -0.198 0.000 1.347 156 Q HN 0.458 nan 8.270 nan 0.000 0.444 157 H N 2.729 121.457 119.070 -0.570 0.000 2.548 157 H HA 0.328 4.884 4.556 -0.000 0.000 0.331 157 H C -0.936 173.898 175.328 -0.823 0.000 1.093 157 H CA 0.328 55.965 56.048 -0.683 0.000 1.367 157 H CB 0.474 29.455 29.762 -1.301 0.000 1.455 157 H HN 0.431 nan 8.280 nan 0.000 0.519 158 F N 1.723 121.662 119.950 -0.019 0.000 2.620 158 F HA 0.410 4.937 4.527 -0.000 0.000 0.320 158 F C 0.399 176.384 175.800 0.308 0.000 1.069 158 F CA -1.101 57.003 58.000 0.174 0.000 0.953 158 F CB 1.679 40.845 39.000 0.277 0.000 1.322 158 F HN 0.357 nan 8.300 nan 0.000 0.479 159 I N 0.588 121.470 120.570 0.520 0.000 2.603 159 I HA 0.667 4.837 4.170 -0.000 0.000 0.300 159 I C -1.543 174.668 176.117 0.156 0.000 1.017 159 I CA -1.177 60.334 61.300 0.353 0.000 1.098 159 I CB 2.034 40.164 38.000 0.216 0.000 1.279 159 I HN 0.449 nan 8.210 nan 0.000 0.437 160 L N 4.846 126.023 121.223 -0.076 0.000 2.319 160 L HA 0.447 4.787 4.340 -0.000 0.000 0.280 160 L C -0.293 176.331 176.870 -0.409 0.000 1.099 160 L CA 0.660 55.186 54.840 -0.524 0.000 0.828 160 L CB 0.335 42.108 42.059 -0.477 0.000 1.150 160 L HN 0.606 nan 8.230 nan 0.000 0.442 161 E N 4.378 124.185 120.200 -0.656 0.000 2.238 161 E HA 0.402 4.752 4.350 -0.000 0.000 0.267 161 E C -1.030 175.241 176.600 -0.547 0.000 0.887 161 E CA -0.594 55.458 56.400 -0.581 0.000 0.769 161 E CB 1.940 31.236 29.700 -0.673 0.000 1.187 161 E HN 0.585 nan 8.360 nan 0.000 0.416 162 E N 0.534 120.586 120.200 -0.247 0.000 2.212 162 E HA 0.541 4.890 4.350 -0.000 0.000 0.270 162 E C -0.541 176.067 176.600 0.013 0.000 0.956 162 E CA -0.888 55.447 56.400 -0.108 0.000 0.825 162 E CB 1.844 31.502 29.700 -0.071 0.000 1.167 162 E HN 0.536 nan 8.360 nan 0.000 0.400 163 A N 2.652 125.514 122.820 0.070 0.000 2.520 163 A HA 0.148 4.468 4.320 -0.000 0.000 0.235 163 A C -0.097 177.527 177.584 0.067 0.000 1.065 163 A CA 0.326 52.427 52.037 0.106 0.000 0.764 163 A CB -0.016 19.036 19.000 0.086 0.000 1.002 163 A HN 0.535 nan 8.150 nan 0.000 0.502 164 I N 1.929 122.543 120.570 0.073 0.000 2.404 164 I HA 0.420 4.590 4.170 -0.000 0.000 0.293 164 I C 0.478 176.623 176.117 0.047 0.000 0.992 164 I CA -0.162 61.169 61.300 0.052 0.000 1.149 164 I CB 1.479 39.513 38.000 0.056 0.000 1.315 164 I HN 0.737 nan 8.210 nan 0.000 0.446 165 R N 3.228 123.750 120.500 0.037 0.000 2.854 165 R HA 0.746 5.086 4.340 -0.000 0.000 0.271 165 R C -0.409 175.911 176.300 0.033 0.000 0.994 165 R CA -0.922 55.198 56.100 0.034 0.000 0.945 165 R CB 2.295 32.612 30.300 0.029 0.000 1.194 165 R HN 0.738 nan 8.270 nan 0.000 0.476 166 G N -0.605 108.216 108.800 0.034 0.000 2.511 166 G HA2 0.180 4.140 3.960 -0.000 0.000 0.318 166 G HA3 0.180 4.140 3.960 -0.000 0.000 0.318 166 G C -0.256 174.658 174.900 0.023 0.000 1.210 166 G CA -0.467 44.659 45.100 0.044 0.000 0.969 166 G HN 0.525 nan 8.290 nan 0.000 0.484 167 D N -0.617 119.815 120.400 0.053 0.000 2.149 167 D HA 0.035 4.675 4.640 -0.000 0.000 0.201 167 D C -0.107 176.060 176.300 -0.221 0.000 0.972 167 D CA 1.357 55.349 54.000 -0.014 0.000 0.835 167 D CB 0.181 41.078 40.800 0.163 0.000 0.966 167 D HN 0.179 nan 8.370 nan 0.000 0.476 168 F N -0.565 119.400 119.950 0.025 0.000 2.599 168 F HA 0.564 5.091 4.527 -0.000 0.000 0.311 168 F C -0.281 175.531 175.800 0.020 0.000 1.076 168 F CA -1.202 56.815 58.000 0.027 0.000 0.937 168 F CB 1.941 40.945 39.000 0.007 0.000 1.282 168 F HN -0.300 nan 8.300 nan 0.000 0.460 169 A N 2.476 125.415 122.820 0.198 0.000 2.355 169 A HA 0.866 5.186 4.320 -0.000 0.000 0.317 169 A C -1.604 176.053 177.584 0.121 0.000 1.094 169 A CA -0.635 51.477 52.037 0.125 0.000 0.764 169 A CB 1.061 20.104 19.000 0.071 0.000 1.230 169 A HN 0.735 nan 8.150 nan 0.000 0.448 170 L N 3.022 124.297 121.223 0.085 0.000 2.295 170 L HA 0.534 4.874 4.340 -0.000 0.000 0.281 170 L C -0.953 175.962 176.870 0.074 0.000 1.018 170 L CA -0.719 54.158 54.840 0.062 0.000 0.841 170 L CB 1.327 43.401 42.059 0.024 0.000 1.218 170 L HN 0.414 nan 8.230 nan 0.000 0.424 171 V N 2.729 122.699 119.914 0.093 0.000 2.555 171 V HA 0.429 4.548 4.120 -0.000 0.000 0.302 171 V C -0.142 176.049 176.094 0.161 0.000 1.038 171 V CA -0.814 61.569 62.300 0.138 0.000 0.887 171 V CB 2.283 34.198 31.823 0.153 0.000 0.991 171 V HN 0.548 nan 8.190 nan 0.000 0.434 172 K N 3.631 124.154 120.400 0.206 0.000 2.185 172 K HA 0.847 5.167 4.320 -0.000 0.000 0.269 172 K C -0.499 176.274 176.600 0.289 0.000 0.987 172 K CA 0.028 56.446 56.287 0.219 0.000 0.865 172 K CB 1.420 34.044 32.500 0.208 0.000 1.090 172 K HN 0.903 nan 8.250 nan 0.000 0.450 173 A N 3.241 126.155 122.820 0.157 0.000 2.486 173 A HA 0.520 4.839 4.320 -0.000 0.000 0.289 173 A C -0.542 177.081 177.584 0.066 0.000 1.176 173 A CA -0.757 51.283 52.037 0.004 0.000 0.757 173 A CB 0.201 18.975 19.000 -0.376 0.000 1.337 173 A HN 0.912 nan 8.150 nan 0.000 0.423 174 W N 0.606 121.791 121.300 -0.191 0.000 2.587 174 W HA 0.315 4.974 4.660 -0.000 0.000 0.307 174 W C 0.045 176.507 176.519 -0.095 0.000 1.138 174 W CA 1.106 58.372 57.345 -0.132 0.000 1.450 174 W CB 0.018 29.422 29.460 -0.092 0.000 1.149 174 W HN 0.523 nan 8.180 nan 0.000 0.512 175 K N -0.257 120.064 120.400 -0.133 0.000 2.426 175 K HA 0.630 4.950 4.320 -0.000 0.000 0.251 175 K C -1.136 175.475 176.600 0.019 0.000 0.941 175 K CA -0.731 55.456 56.287 -0.166 0.000 0.808 175 K CB 2.248 34.571 32.500 -0.294 0.000 1.265 175 K HN -0.136 nan 8.250 nan 0.000 0.432 176 A N 1.674 124.549 122.820 0.093 0.000 2.374 176 A HA 0.489 4.809 4.320 -0.000 0.000 0.317 176 A C -1.114 176.563 177.584 0.155 0.000 1.094 176 A CA -0.759 51.386 52.037 0.179 0.000 0.765 176 A CB 0.943 20.026 19.000 0.137 0.000 1.268 176 A HN 0.819 nan 8.150 nan 0.000 0.438 177 D N 0.319 120.820 120.400 0.168 0.000 2.432 177 D HA 0.193 4.833 4.640 -0.000 0.000 0.258 177 D C 0.493 176.853 176.300 0.100 0.000 1.146 177 D CA -0.350 53.611 54.000 -0.066 0.000 1.015 177 D CB 0.456 41.076 40.800 -0.300 0.000 1.107 177 D HN 0.476 nan 8.370 nan 0.000 0.529 178 Q N -0.649 119.139 119.800 -0.021 0.000 2.515 178 Q HA 0.053 4.393 4.340 -0.000 0.000 0.212 178 Q C 1.248 177.288 176.000 0.066 0.000 0.970 178 Q CA 0.806 56.564 55.803 -0.075 0.000 0.941 178 Q CB 0.007 28.623 28.738 -0.204 0.000 0.998 178 Q HN 0.613 nan 8.270 nan 0.000 0.518 179 A N -0.293 122.609 122.820 0.137 0.000 2.195 179 A HA 0.337 4.657 4.320 -0.000 0.000 0.210 179 A C 1.538 179.265 177.584 0.237 0.000 1.165 179 A CA 0.788 52.922 52.037 0.161 0.000 0.806 179 A CB 0.167 19.220 19.000 0.088 0.000 0.847 179 A HN 0.405 nan 8.150 nan 0.000 0.482 180 G N -0.580 108.396 108.800 0.294 0.000 2.176 180 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.232 180 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.232 180 G C -0.131 174.835 174.900 0.110 0.000 0.986 180 G CA -0.028 45.164 45.100 0.153 0.000 0.643 180 G HN 0.443 nan 8.290 nan 0.000 0.522 181 N N 0.003 118.800 118.700 0.161 0.000 2.479 181 N HA 0.430 5.170 4.740 -0.000 0.000 0.257 181 N C -0.127 175.461 175.510 0.130 0.000 1.232 181 N CA 0.427 53.568 53.050 0.151 0.000 0.920 181 N CB 1.937 40.565 38.487 0.235 0.000 1.105 181 N HN 0.173 nan 8.380 nan 0.000 0.444 182 V N 0.576 120.442 119.914 -0.080 0.000 2.789 182 V HA 0.494 4.614 4.120 -0.000 0.000 0.311 182 V C 0.075 175.829 176.094 -0.565 0.000 1.073 182 V CA -0.685 61.459 62.300 -0.260 0.000 0.921 182 V CB 2.134 33.819 31.823 -0.231 0.000 1.009 182 V HN 0.902 nan 8.190 nan 0.000 0.426 183 T N 0.833 114.963 114.554 -0.707 0.000 2.916 183 T HA 0.838 5.188 4.350 -0.000 0.000 0.292 183 T C -1.044 173.400 174.700 -0.426 0.000 1.055 183 T CA -0.562 61.129 62.100 -0.682 0.000 1.009 183 T CB 1.849 70.190 68.868 -0.878 0.000 1.118 183 T HN 0.178 nan 8.240 nan 0.000 0.497 184 F N -0.079 120.111 119.950 0.400 0.000 2.561 184 F HA 0.698 5.225 4.527 -0.000 0.000 0.321 184 F C 0.550 176.477 175.800 0.212 0.000 1.065 184 F CA -1.247 56.919 58.000 0.277 0.000 0.934 184 F CB 2.128 41.206 39.000 0.131 0.000 1.215 184 F HN 0.532 nan 8.300 nan 0.000 0.471 185 R N 2.498 123.076 120.500 0.129 0.000 2.338 185 R HA 0.424 4.764 4.340 -0.000 0.000 0.317 185 R C -0.085 175.955 176.300 -0.433 0.000 0.968 185 R CA -0.313 55.603 56.100 -0.307 0.000 0.849 185 R CB 0.788 30.553 30.300 -0.892 0.000 1.128 185 R HN 0.811 nan 8.270 nan 0.000 0.448 186 K N 0.542 120.524 120.400 -0.697 0.000 1.931 186 K HA -0.307 4.013 4.320 -0.000 0.000 0.126 186 K C 0.698 176.646 176.600 -1.086 0.000 1.372 186 K CA 1.898 57.342 56.287 -1.405 0.000 0.483 186 K CB -1.375 30.578 32.500 -0.912 0.000 0.562 186 K HN 0.750 nan 8.250 nan 0.000 0.923 187 S N 0.416 115.712 115.700 -0.674 0.000 2.631 187 S HA 0.249 4.719 4.470 -0.000 0.000 0.217 187 S C 1.470 175.950 174.600 -0.200 0.000 0.958 187 S CA 0.514 58.522 58.200 -0.320 0.000 0.920 187 S CB 0.466 63.569 63.200 -0.163 0.000 0.776 187 S HN 0.598 nan 8.310 nan 0.000 0.517 188 A N 1.651 124.363 122.820 -0.180 0.000 2.239 188 A HA 0.140 4.460 4.320 -0.000 0.000 0.209 188 A C 2.141 179.707 177.584 -0.030 0.000 1.171 188 A CA 0.621 52.628 52.037 -0.050 0.000 0.768 188 A CB -0.572 18.411 19.000 -0.029 0.000 0.790 188 A HN 0.603 nan 8.150 nan 0.000 0.478 189 R N 0.704 121.109 120.500 -0.157 0.000 2.055 189 R HA -0.181 4.159 4.340 -0.000 0.000 0.228 189 R C 1.640 177.719 176.300 -0.370 0.000 1.143 189 R CA 1.730 57.583 56.100 -0.412 0.000 0.945 189 R CB -0.471 29.566 30.300 -0.438 0.000 0.841 189 R HN 0.706 nan 8.270 nan 0.000 0.429 190 N N -0.829 117.713 118.700 -0.264 0.000 1.075 190 N HA -0.357 4.383 4.740 -0.000 0.000 0.133 190 N C 0.852 176.217 175.510 -0.240 0.000 0.564 190 N CA 2.532 55.469 53.050 -0.190 0.000 0.891 190 N CB -1.521 36.997 38.487 0.051 0.000 1.364 190 N HN 0.218 nan 8.380 nan 0.000 0.547 191 F N 0.095 120.021 119.950 -0.039 0.000 2.661 191 F HA 0.199 4.726 4.527 -0.000 0.000 0.298 191 F C 2.195 177.942 175.800 -0.087 0.000 1.137 191 F CA 0.325 58.303 58.000 -0.036 0.000 1.454 191 F CB -0.364 38.655 39.000 0.033 0.000 1.103 191 F HN 0.282 nan 8.300 nan 0.000 0.577 192 N N 0.687 119.395 118.700 0.014 0.000 2.094 192 N HA -0.216 4.523 4.740 -0.000 0.000 0.191 192 N C 2.088 177.517 175.510 -0.136 0.000 1.023 192 N CA 1.311 54.345 53.050 -0.028 0.000 0.857 192 N CB -0.503 37.979 38.487 -0.009 0.000 1.013 192 N HN 0.356 nan 8.380 nan 0.000 0.426 193 L N 1.855 122.831 121.223 -0.411 0.000 1.988 193 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 193 L C -0.791 175.976 176.870 -0.172 0.000 1.071 193 L CA 1.399 56.037 54.840 -0.336 0.000 0.744 193 L CB -1.177 40.598 42.059 -0.474 0.000 0.893 193 L HN 0.085 nan 8.230 nan 0.000 0.433 194 P HA -0.180 nan 4.420 nan 0.000 0.218 194 P C 1.750 179.008 177.300 -0.071 0.000 1.149 194 P CA 1.690 64.714 63.100 -0.127 0.000 0.817 194 P CB -0.112 31.524 31.700 -0.106 0.000 0.785 195 M N -1.037 118.561 119.600 -0.003 0.000 2.279 195 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 195 M C 2.239 178.536 176.300 -0.005 0.000 1.062 195 M CA 1.182 56.500 55.300 0.030 0.000 1.099 195 M CB -0.950 31.700 32.600 0.082 0.000 1.394 195 M HN 0.005 nan 8.290 nan 0.000 0.426 196 C N 0.909 120.191 119.300 -0.031 0.000 2.511 196 C HA -0.039 4.421 4.460 -0.000 0.000 0.277 196 C C 1.995 176.899 174.990 -0.143 0.000 1.451 196 C CA 0.904 59.894 59.018 -0.048 0.000 1.735 196 C CB -1.144 26.607 27.740 0.019 0.000 1.704 196 C HN 0.413 nan 8.230 nan 0.000 0.571 197 K N -0.453 119.823 120.400 -0.207 0.000 2.373 197 K HA 0.263 4.583 4.320 -0.000 0.000 0.200 197 K C 0.990 177.570 176.600 -0.034 0.000 1.054 197 K CA 0.495 56.635 56.287 -0.245 0.000 1.065 197 K CB 0.458 32.669 32.500 -0.483 0.000 0.886 197 K HN 0.265 nan 8.250 nan 0.000 0.546 198 A N 1.037 123.848 122.820 -0.015 0.000 2.606 198 A HA 0.601 4.921 4.320 -0.000 0.000 0.290 198 A C -0.079 177.525 177.584 0.033 0.000 1.174 198 A CA -0.296 51.752 52.037 0.018 0.000 0.958 198 A CB 0.451 19.459 19.000 0.014 0.000 1.194 198 A HN 0.150 nan 8.150 nan 0.000 0.526 199 A N -0.735 122.110 122.820 0.042 0.000 2.469 199 A HA 0.656 4.975 4.320 -0.000 0.000 0.299 199 A C 0.557 178.166 177.584 0.041 0.000 1.098 199 A CA 0.039 52.093 52.037 0.028 0.000 0.737 199 A CB 0.976 19.991 19.000 0.025 0.000 1.312 199 A HN 0.125 nan 8.150 nan 0.000 0.414 200 E N 0.558 120.732 120.200 -0.044 0.000 2.085 200 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 200 E C 0.232 176.787 176.600 -0.076 0.000 0.994 200 E CA 2.276 58.627 56.400 -0.083 0.000 0.801 200 E CB 0.085 29.681 29.700 -0.172 0.000 0.743 200 E HN 0.570 nan 8.360 nan 0.000 0.453 201 T N 0.384 114.834 114.554 -0.173 0.000 2.881 201 T HA 0.375 4.725 4.350 -0.000 0.000 0.291 201 T C -1.090 173.666 174.700 0.094 0.000 0.990 201 T CA -0.678 61.418 62.100 -0.006 0.000 0.976 201 T CB 1.749 70.348 68.868 -0.449 0.000 0.970 201 T HN -0.129 nan 8.240 nan 0.000 0.438 202 T N 2.959 117.618 114.554 0.174 0.000 2.795 202 T HA 0.563 4.913 4.350 -0.000 0.000 0.282 202 T C -0.166 174.560 174.700 0.044 0.000 0.980 202 T CA -0.537 61.554 62.100 -0.014 0.000 1.012 202 T CB 0.978 69.688 68.868 -0.264 0.000 0.936 202 T HN 0.346 nan 8.240 nan 0.000 0.457 203 V N 4.146 124.104 119.914 0.073 0.000 2.407 203 V HA 0.463 4.582 4.120 -0.000 0.000 0.291 203 V C -0.289 175.827 176.094 0.036 0.000 1.018 203 V CA -0.808 61.520 62.300 0.047 0.000 0.842 203 V CB 1.647 33.499 31.823 0.048 0.000 0.996 203 V HN 0.701 nan 8.190 nan 0.000 0.426 204 V N 5.026 124.951 119.914 0.018 0.000 2.417 204 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 204 V C 0.022 176.144 176.094 0.047 0.000 1.024 204 V CA -0.675 61.648 62.300 0.038 0.000 0.861 204 V CB 1.798 33.629 31.823 0.014 0.000 0.985 204 V HN 1.051 nan 8.190 nan 0.000 0.436 205 E N 4.611 124.865 120.200 0.089 0.000 2.191 205 E HA 0.747 5.097 4.350 -0.000 0.000 0.278 205 E C -0.802 175.898 176.600 0.167 0.000 0.972 205 E CA -0.745 55.739 56.400 0.140 0.000 0.804 205 E CB 2.231 32.035 29.700 0.172 0.000 1.110 205 E HN 0.505 nan 8.360 nan 0.000 0.394 206 V N -0.166 119.856 119.914 0.180 0.000 3.040 206 V HA 0.341 4.461 4.120 -0.000 0.000 0.312 206 V C 0.483 176.664 176.094 0.146 0.000 1.115 206 V CA -0.826 61.546 62.300 0.121 0.000 0.998 206 V CB 1.742 33.604 31.823 0.065 0.000 1.042 206 V HN 0.865 nan 8.190 nan 0.000 0.433 207 E N 0.449 120.645 120.200 -0.008 0.000 2.158 207 E HA 0.108 4.457 4.350 -0.000 0.000 0.191 207 E C -0.087 176.557 176.600 0.074 0.000 0.982 207 E CA 0.859 57.232 56.400 -0.045 0.000 0.823 207 E CB 0.267 29.891 29.700 -0.126 0.000 0.766 207 E HN 0.754 nan 8.360 nan 0.000 0.468 208 E N 0.194 120.406 120.200 0.020 0.000 2.331 208 E HA 0.375 4.725 4.350 -0.000 0.000 0.275 208 E C -0.821 175.772 176.600 -0.010 0.000 0.895 208 E CA -0.451 55.945 56.400 -0.006 0.000 0.753 208 E CB 2.370 32.017 29.700 -0.090 0.000 1.216 208 E HN -0.008 nan 8.360 nan 0.000 0.434 209 I N 2.059 122.636 120.570 0.011 0.000 2.354 209 I HA 0.353 4.523 4.170 -0.000 0.000 0.292 209 I C 0.319 176.395 176.117 -0.068 0.000 0.989 209 I CA -1.026 60.283 61.300 0.016 0.000 1.188 209 I CB 1.439 39.486 38.000 0.078 0.000 1.342 209 I HN 0.238 nan 8.210 nan 0.000 0.457 210 V N 1.416 121.251 119.914 -0.131 0.000 3.113 210 V HA 0.547 4.667 4.120 -0.000 0.000 0.316 210 V C -0.504 175.447 176.094 -0.239 0.000 1.125 210 V CA -0.931 61.241 62.300 -0.212 0.000 1.026 210 V CB 1.914 33.549 31.823 -0.313 0.000 1.080 210 V HN 0.697 nan 8.190 nan 0.000 0.444 211 D N 0.562 120.823 120.400 -0.232 0.000 2.423 211 D HA 0.224 4.863 4.640 -0.000 0.000 0.238 211 D C 0.209 176.351 176.300 -0.264 0.000 1.142 211 D CA 0.031 53.906 54.000 -0.208 0.000 0.884 211 D CB 0.511 41.213 40.800 -0.164 0.000 1.199 211 D HN 0.628 nan 8.370 nan 0.000 0.438 212 I N 2.791 123.244 120.570 -0.195 0.000 2.683 212 I HA 0.173 4.343 4.170 -0.000 0.000 0.286 212 I C 1.736 177.748 176.117 -0.175 0.000 1.175 212 I CA 1.016 62.211 61.300 -0.175 0.000 1.429 212 I CB 0.461 38.403 38.000 -0.097 0.000 1.371 212 I HN 0.827 nan 8.210 nan 0.000 0.569 213 G N 3.420 112.107 108.800 -0.188 0.000 2.218 213 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 213 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 213 G C 0.970 175.756 174.900 -0.191 0.000 0.994 213 G CA 0.291 45.307 45.100 -0.141 0.000 0.637 213 G HN 0.551 nan 8.290 nan 0.000 0.505 214 S N -0.095 115.385 115.700 -0.367 0.000 2.447 214 S HA 0.268 4.738 4.470 -0.000 0.000 0.233 214 S C 0.721 175.156 174.600 -0.275 0.000 1.006 214 S CA 0.561 58.519 58.200 -0.404 0.000 0.957 214 S CB -0.155 62.667 63.200 -0.631 0.000 0.773 214 S HN 0.494 nan 8.310 nan 0.000 0.507 215 F N 0.878 120.778 119.950 -0.084 0.000 2.450 215 F HA 0.629 5.156 4.527 -0.000 0.000 0.332 215 F C 0.468 176.239 175.800 -0.048 0.000 1.093 215 F CA -1.472 56.479 58.000 -0.081 0.000 1.003 215 F CB 0.928 39.867 39.000 -0.101 0.000 1.151 215 F HN -0.078 nan 8.300 nan 0.000 0.474 216 A N 4.020 126.943 122.820 0.172 0.000 2.477 216 A HA 0.258 4.578 4.320 -0.000 0.000 0.246 216 A C -1.527 176.117 177.584 0.100 0.000 1.078 216 A CA -1.227 50.869 52.037 0.099 0.000 0.770 216 A CB -0.074 18.971 19.000 0.074 0.000 1.011 216 A HN 0.576 nan 8.150 nan 0.000 0.494 217 P HA -0.144 nan 4.420 nan 0.000 0.220 217 P C 0.588 177.920 177.300 0.054 0.000 1.148 217 P CA 1.237 64.377 63.100 0.067 0.000 0.803 217 P CB 0.220 31.950 31.700 0.050 0.000 0.782 218 E N -0.124 120.106 120.200 0.050 0.000 2.338 218 E HA -0.100 4.250 4.350 -0.000 0.000 0.197 218 E C 0.706 177.342 176.600 0.059 0.000 1.007 218 E CA 0.895 57.325 56.400 0.050 0.000 0.849 218 E CB -0.475 29.253 29.700 0.046 0.000 0.774 218 E HN 0.308 nan 8.360 nan 0.000 0.506 219 D N -0.368 120.057 120.400 0.042 0.000 2.593 219 D HA 0.159 4.798 4.640 -0.000 0.000 0.241 219 D C -0.336 175.863 176.300 -0.168 0.000 1.257 219 D CA -0.108 53.907 54.000 0.025 0.000 0.828 219 D CB 0.347 41.172 40.800 0.041 0.000 1.049 219 D HN 0.143 nan 8.370 nan 0.000 0.490 220 I N 0.867 121.362 120.570 -0.125 0.000 2.337 220 I HA 0.085 4.255 4.170 -0.000 0.000 0.291 220 I C 1.473 177.560 176.117 -0.049 0.000 1.046 220 I CA -0.184 60.966 61.300 -0.250 0.000 1.324 220 I CB 0.898 38.848 38.000 -0.083 0.000 1.409 220 I HN 0.009 nan 8.210 nan 0.000 0.494 221 H N 5.997 125.034 119.070 -0.055 0.000 2.403 221 H HA 0.209 4.765 4.556 -0.000 0.000 0.298 221 H C 0.038 175.463 175.328 0.162 0.000 1.059 221 H CA 0.378 56.489 56.048 0.104 0.000 1.363 221 H CB 0.585 30.515 29.762 0.280 0.000 1.410 221 H HN 0.311 nan 8.280 nan 0.000 0.528 222 I N 2.166 122.873 120.570 0.229 0.000 2.466 222 I HA 0.224 4.394 4.170 -0.000 0.000 0.279 222 I C -2.568 173.657 176.117 0.181 0.000 1.033 222 I CA -2.709 58.735 61.300 0.240 0.000 1.123 222 I CB 1.512 39.665 38.000 0.254 0.000 1.237 222 I HN -0.159 nan 8.210 nan 0.000 0.460 223 P HA 0.065 nan 4.420 nan 0.000 0.267 223 P C 0.868 178.229 177.300 0.101 0.000 1.200 223 P CA -0.214 62.961 63.100 0.125 0.000 0.772 223 P CB 0.552 32.299 31.700 0.079 0.000 0.855 224 K N 3.127 123.562 120.400 0.059 0.000 2.218 224 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 224 K C 1.699 178.307 176.600 0.013 0.000 1.046 224 K CA 1.538 57.854 56.287 0.049 0.000 0.933 224 K CB -0.934 31.602 32.500 0.061 0.000 0.728 224 K HN 0.342 nan 8.250 nan 0.000 0.454 225 I N 0.675 121.199 120.570 -0.077 0.000 2.399 225 I HA -0.294 3.875 4.170 -0.000 0.000 0.254 225 I C 1.326 177.365 176.117 -0.131 0.000 1.146 225 I CA 1.411 62.617 61.300 -0.156 0.000 1.412 225 I CB 0.030 37.843 38.000 -0.312 0.000 1.076 225 I HN 0.193 nan 8.210 nan 0.000 0.432 226 Y N -0.591 119.716 120.300 0.012 0.000 2.523 226 Y HA 0.142 4.691 4.550 -0.000 0.000 0.279 226 Y C 0.719 176.457 175.900 -0.271 0.000 1.139 226 Y CA -0.381 57.674 58.100 -0.076 0.000 1.296 226 Y CB 0.359 38.796 38.460 -0.038 0.000 1.045 226 Y HN -0.161 nan 8.280 nan 0.000 0.538 227 V N 0.858 120.758 119.914 -0.023 0.000 2.277 227 V HA 0.083 4.203 4.120 -0.000 0.000 0.269 227 V C 0.027 176.102 176.094 -0.031 0.000 1.036 227 V CA -0.344 61.907 62.300 -0.082 0.000 0.821 227 V CB 0.275 32.082 31.823 -0.027 0.000 1.052 227 V HN 0.442 nan 8.190 nan 0.000 0.462 228 H N 3.176 122.268 119.070 0.035 0.000 2.431 228 H HA 0.270 4.825 4.556 -0.000 0.000 0.295 228 H C 0.659 176.013 175.328 0.044 0.000 1.038 228 H CA 0.334 56.401 56.048 0.033 0.000 1.360 228 H CB 0.454 30.238 29.762 0.036 0.000 1.433 228 H HN 0.408 nan 8.280 nan 0.000 0.536 229 R N 1.115 121.697 120.500 0.137 0.000 2.575 229 R HA 0.390 4.730 4.340 -0.000 0.000 0.293 229 R C -1.751 174.555 176.300 0.010 0.000 0.983 229 R CA -0.726 55.466 56.100 0.153 0.000 0.887 229 R CB 2.879 33.248 30.300 0.115 0.000 1.184 229 R HN 0.013 nan 8.270 nan 0.000 0.445 230 L N 3.614 124.817 121.223 -0.034 0.000 2.410 230 L HA 0.608 4.948 4.340 -0.000 0.000 0.270 230 L C -1.455 175.442 176.870 0.046 0.000 0.983 230 L CA -0.765 53.986 54.840 -0.148 0.000 0.822 230 L CB 2.083 43.783 42.059 -0.598 0.000 1.285 230 L HN 0.494 nan 8.230 nan 0.000 0.409 231 V N 5.280 125.245 119.914 0.085 0.000 2.841 231 V HA 0.440 4.560 4.120 -0.000 0.000 0.310 231 V C -0.499 175.689 176.094 0.157 0.000 1.090 231 V CA -0.869 61.524 62.300 0.155 0.000 0.930 231 V CB 2.504 34.398 31.823 0.118 0.000 1.014 231 V HN 0.874 nan 8.190 nan 0.000 0.425 232 K N 4.405 124.913 120.400 0.180 0.000 2.312 232 K HA 0.516 4.836 4.320 -0.000 0.000 0.287 232 K C 0.382 177.090 176.600 0.180 0.000 1.062 232 K CA 0.114 56.515 56.287 0.189 0.000 0.934 232 K CB 0.724 33.325 32.500 0.170 0.000 1.027 232 K HN 0.966 nan 8.250 nan 0.000 0.478 233 G N 3.242 112.199 108.800 0.262 0.000 2.380 233 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.242 233 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.242 233 G C 0.729 175.625 174.900 -0.006 0.000 1.298 233 G CA -0.245 44.903 45.100 0.081 0.000 0.878 233 G HN 0.949 nan 8.290 nan 0.000 0.542 234 E N 1.313 121.453 120.200 -0.100 0.000 2.152 234 E HA -0.032 4.317 4.350 -0.000 0.000 0.192 234 E C 0.800 177.340 176.600 -0.100 0.000 0.983 234 E CA 0.706 57.072 56.400 -0.056 0.000 0.818 234 E CB 0.281 29.955 29.700 -0.042 0.000 0.758 234 E HN 0.385 nan 8.360 nan 0.000 0.467 235 K N -0.265 119.970 120.400 -0.275 0.000 2.513 235 K HA 0.292 4.612 4.320 -0.000 0.000 0.251 235 K C -2.149 174.156 176.600 -0.492 0.000 0.939 235 K CA -0.584 55.569 56.287 -0.223 0.000 0.793 235 K CB 1.643 34.081 32.500 -0.104 0.000 1.241 235 K HN -0.030 nan 8.250 nan 0.000 0.431 236 Y N 2.615 122.969 120.300 0.089 0.000 2.447 236 Y HA 0.197 4.747 4.550 -0.000 0.000 0.325 236 Y C 0.537 176.490 175.900 0.089 0.000 0.976 236 Y CA -0.554 57.608 58.100 0.102 0.000 1.280 236 Y CB 1.900 40.419 38.460 0.098 0.000 1.104 236 Y HN 0.683 nan 8.280 nan 0.000 0.486 237 E N 2.188 122.513 120.200 0.208 0.000 2.358 237 E HA -0.080 4.269 4.350 -0.000 0.000 0.195 237 E C 0.107 176.752 176.600 0.075 0.000 1.010 237 E CA 0.287 56.750 56.400 0.104 0.000 0.856 237 E CB 0.069 29.788 29.700 0.033 0.000 0.795 237 E HN 0.571 nan 8.360 nan 0.000 0.504 238 K N 1.277 121.761 120.400 0.140 0.000 3.077 238 K HA -0.206 4.114 4.320 -0.000 0.000 0.264 238 K C -0.504 176.112 176.600 0.028 0.000 1.008 238 K CA 0.333 56.673 56.287 0.089 0.000 0.740 238 K CB -1.282 31.257 32.500 0.067 0.000 1.273 238 K HN 0.173 nan 8.250 nan 0.000 0.477 239 R N 0.449 120.948 120.500 -0.001 0.000 2.590 239 R HA 0.271 4.610 4.340 -0.000 0.000 0.274 239 R C 0.586 176.881 176.300 -0.008 0.000 1.061 239 R CA 0.158 56.206 56.100 -0.087 0.000 1.081 239 R CB 0.451 30.572 30.300 -0.297 0.000 0.984 239 R HN 0.212 nan 8.270 nan 0.000 0.448 240 I N 1.574 122.130 120.570 -0.022 0.000 2.418 240 I HA 0.060 4.230 4.170 -0.000 0.000 0.287 240 I C 1.391 177.513 176.117 0.008 0.000 1.008 240 I CA -0.239 61.067 61.300 0.011 0.000 1.104 240 I CB 2.008 40.012 38.000 0.007 0.000 1.264 240 I HN 0.730 nan 8.210 nan 0.000 0.438 241 E N 5.726 125.949 120.200 0.038 0.000 2.107 241 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 241 E C 0.767 177.385 176.600 0.030 0.000 0.982 241 E CA 0.833 57.257 56.400 0.040 0.000 0.809 241 E CB 0.531 30.270 29.700 0.065 0.000 0.756 241 E HN 0.473 nan 8.360 nan 0.000 0.459 242 R N 0.605 121.125 120.500 0.034 0.000 2.713 242 R HA 0.266 4.606 4.340 -0.000 0.000 0.282 242 R C -1.528 174.777 176.300 0.008 0.000 1.472 242 R CA -0.331 55.783 56.100 0.022 0.000 1.060 242 R CB 0.570 30.894 30.300 0.041 0.000 1.237 242 R HN 0.041 nan 8.270 nan 0.000 0.484 243 L N 3.135 124.351 121.223 -0.012 0.000 2.385 243 L HA 0.285 4.625 4.340 -0.000 0.000 0.281 243 L C -0.351 176.476 176.870 -0.072 0.000 1.106 243 L CA 0.117 54.942 54.840 -0.025 0.000 0.856 243 L CB 1.541 43.586 42.059 -0.024 0.000 1.186 243 L HN 0.574 nan 8.230 nan 0.000 0.453 244 S N 3.187 118.825 115.700 -0.103 0.000 2.667 244 S HA 0.515 4.985 4.470 -0.000 0.000 0.304 244 S C -0.374 174.109 174.600 -0.195 0.000 1.135 244 S CA -0.543 57.489 58.200 -0.279 0.000 1.125 244 S CB 1.435 64.315 63.200 -0.534 0.000 0.996 244 S HN 0.231 nan 8.310 nan 0.000 0.474 245 V N 4.680 124.509 119.914 -0.141 0.000 2.540 245 V HA 0.544 4.663 4.120 -0.000 0.000 0.302 245 V C 0.418 176.500 176.094 -0.020 0.000 1.035 245 V CA -1.054 61.226 62.300 -0.033 0.000 0.873 245 V CB 1.794 33.604 31.823 -0.021 0.000 0.992 245 V HN 0.878 nan 8.190 nan 0.000 0.428 263 R N 1.174 121.622 120.500 -0.088 0.000 2.081 263 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 263 R C 2.215 178.476 176.300 -0.065 0.000 1.131 263 R CA 2.420 58.486 56.100 -0.057 0.000 0.960 263 R CB -0.230 30.059 30.300 -0.018 0.000 0.856 263 R HN 0.826 nan 8.270 nan 0.000 0.436 264 E N 0.002 120.161 120.200 -0.068 0.000 2.110 264 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 264 E C 2.051 178.563 176.600 -0.148 0.000 0.988 264 E CA 0.918 57.276 56.400 -0.069 0.000 0.804 264 E CB 0.032 29.709 29.700 -0.037 0.000 0.745 264 E HN 0.224 nan 8.360 nan 0.000 0.458 265 R N 0.298 120.673 120.500 -0.208 0.000 2.081 265 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 265 R C 2.352 178.519 176.300 -0.220 0.000 1.131 265 R CA 1.540 57.463 56.100 -0.295 0.000 0.960 265 R CB -0.202 29.778 30.300 -0.535 0.000 0.856 265 R HN 0.275 nan 8.270 nan 0.000 0.436 266 I N 0.308 120.774 120.570 -0.172 0.000 2.252 266 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 266 I C 2.225 178.286 176.117 -0.093 0.000 1.102 266 I CA 1.211 62.443 61.300 -0.113 0.000 1.385 266 I CB -0.234 37.721 38.000 -0.075 0.000 1.064 266 I HN 0.188 nan 8.210 nan 0.000 0.414 267 I N 0.810 121.330 120.570 -0.084 0.000 2.179 267 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 267 I C 2.397 178.416 176.117 -0.164 0.000 1.088 267 I CA 1.595 62.862 61.300 -0.055 0.000 1.357 267 I CB -0.339 37.673 38.000 0.020 0.000 1.051 267 I HN 0.145 nan 8.210 nan 0.000 0.409 268 K N -0.036 120.192 120.400 -0.287 0.000 2.288 268 K HA -0.152 4.168 4.320 -0.000 0.000 0.201 268 K C 2.169 178.654 176.600 -0.192 0.000 1.048 268 K CA 0.653 56.710 56.287 -0.384 0.000 0.956 268 K CB -0.014 32.251 32.500 -0.392 0.000 0.746 268 K HN 0.054 nan 8.250 nan 0.000 0.461 269 R N 1.210 121.632 120.500 -0.129 0.000 2.100 269 R HA 0.083 4.423 4.340 -0.000 0.000 0.220 269 R C 1.882 178.130 176.300 -0.087 0.000 1.091 269 R CA 1.361 57.412 56.100 -0.081 0.000 0.986 269 R CB -0.567 29.697 30.300 -0.060 0.000 0.888 269 R HN 0.100 nan 8.270 nan 0.000 0.444 270 A N 0.598 123.362 122.820 -0.093 0.000 1.933 270 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 270 A C 2.309 179.793 177.584 -0.166 0.000 1.175 270 A CA 1.690 53.655 52.037 -0.121 0.000 0.628 270 A CB -1.002 17.951 19.000 -0.078 0.000 0.814 270 A HN 0.446 nan 8.150 nan 0.000 0.444 271 A N -0.363 122.438 122.820 -0.031 0.000 2.024 271 A HA -0.041 4.278 4.320 -0.000 0.000 0.220 271 A C 1.933 179.582 177.584 0.109 0.000 1.164 271 A CA 1.416 53.547 52.037 0.157 0.000 0.643 271 A CB -0.538 18.570 19.000 0.180 0.000 0.806 271 A HN 0.498 nan 8.150 nan 0.000 0.451 272 L N -0.497 120.717 121.223 -0.016 0.000 2.599 272 L HA -0.003 4.337 4.340 -0.000 0.000 0.230 272 L C 1.749 178.580 176.870 -0.066 0.000 1.141 272 L CA 0.161 54.996 54.840 -0.009 0.000 0.877 272 L CB -0.220 41.829 42.059 -0.017 0.000 1.009 272 L HN 0.282 nan 8.230 nan 0.000 0.447 273 E N 0.221 120.296 120.200 -0.209 0.000 2.358 273 E HA 0.010 4.360 4.350 -0.000 0.000 0.195 273 E C 0.319 176.775 176.600 -0.240 0.000 1.010 273 E CA 0.337 56.580 56.400 -0.262 0.000 0.856 273 E CB 0.043 29.521 29.700 -0.369 0.000 0.795 273 E HN 0.310 nan 8.360 nan 0.000 0.504 274 F N 1.536 121.485 119.950 -0.002 0.000 2.443 274 F HA 0.130 4.657 4.527 -0.000 0.000 0.353 274 F C 0.959 176.746 175.800 -0.022 0.000 1.101 274 F CA -0.088 57.903 58.000 -0.015 0.000 1.226 274 F CB 0.775 39.765 39.000 -0.017 0.000 1.140 274 F HN -0.273 nan 8.300 nan 0.000 0.557 275 E N 0.833 121.136 120.200 0.172 0.000 2.312 275 E HA 0.167 4.517 4.350 -0.000 0.000 0.267 275 E C -1.478 175.136 176.600 0.024 0.000 0.894 275 E CA -1.163 55.281 56.400 0.073 0.000 0.773 275 E CB 1.706 31.435 29.700 0.048 0.000 1.241 275 E HN 0.425 nan 8.360 nan 0.000 0.432 276 D N 0.239 120.635 120.400 -0.006 0.000 2.458 276 D HA 0.201 4.841 4.640 -0.000 0.000 0.243 276 D C 0.967 177.229 176.300 -0.064 0.000 1.146 276 D CA 1.978 55.947 54.000 -0.052 0.000 0.877 276 D CB 0.544 41.322 40.800 -0.037 0.000 1.176 276 D HN 0.608 nan 8.370 nan 0.000 0.461 277 G N 3.210 111.929 108.800 -0.135 0.000 2.199 277 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.254 277 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.254 277 G C 0.581 175.367 174.900 -0.191 0.000 0.982 277 G CA 0.325 45.344 45.100 -0.135 0.000 0.632 277 G HN 0.644 nan 8.290 nan 0.000 0.529 278 M N 0.800 120.306 119.600 -0.156 0.000 2.245 278 M HA 0.552 5.032 4.480 -0.000 0.000 0.344 278 M C -0.294 175.866 176.300 -0.234 0.000 1.170 278 M CA -0.188 55.067 55.300 -0.075 0.000 1.135 278 M CB 0.264 32.888 32.600 0.040 0.000 1.574 278 M HN 0.135 nan 8.290 nan 0.000 0.452 279 Y N 3.556 123.915 120.300 0.099 0.000 2.328 279 Y HA 0.635 5.185 4.550 -0.000 0.000 0.337 279 Y C 0.104 176.063 175.900 0.098 0.000 1.008 279 Y CA -0.509 57.655 58.100 0.108 0.000 1.129 279 Y CB 1.337 39.851 38.460 0.091 0.000 1.185 279 Y HN 0.756 nan 8.280 nan 0.000 0.476 280 A N 3.431 126.380 122.820 0.216 0.000 2.435 280 A HA 0.549 4.869 4.320 -0.000 0.000 0.304 280 A C -1.315 176.359 177.584 0.150 0.000 1.064 280 A CA -0.887 51.263 52.037 0.189 0.000 0.727 280 A CB 1.486 20.646 19.000 0.268 0.000 1.284 280 A HN 0.683 nan 8.150 nan 0.000 0.415 281 N N 2.083 120.855 118.700 0.120 0.000 2.407 281 N HA 0.526 5.266 4.740 -0.000 0.000 0.277 281 N C -1.721 173.845 175.510 0.094 0.000 0.995 281 N CA -0.211 52.890 53.050 0.086 0.000 0.903 281 N CB 0.992 39.511 38.487 0.052 0.000 1.218 281 N HN 0.606 nan 8.380 nan 0.000 0.487 282 L N 2.352 123.632 121.223 0.095 0.000 2.325 282 L HA 0.508 4.848 4.340 -0.000 0.000 0.281 282 L C 1.316 178.236 176.870 0.084 0.000 1.004 282 L CA -1.025 53.879 54.840 0.106 0.000 0.823 282 L CB 1.742 43.888 42.059 0.144 0.000 1.236 282 L HN 0.482 nan 8.230 nan 0.000 0.415 283 G N 2.776 111.622 108.800 0.077 0.000 2.684 283 G HA2 0.365 4.325 3.960 -0.000 0.000 0.255 283 G HA3 0.365 4.325 3.960 -0.000 0.000 0.255 283 G C 0.130 175.076 174.900 0.078 0.000 1.219 283 G CA -0.694 44.448 45.100 0.070 0.000 0.901 283 G HN 0.696 nan 8.290 nan 0.000 0.548 284 I N -1.078 119.537 120.570 0.075 0.000 2.754 284 I HA 0.530 4.700 4.170 -0.000 0.000 0.285 284 I C 1.046 177.213 176.117 0.084 0.000 1.166 284 I CA 0.293 61.645 61.300 0.087 0.000 1.417 284 I CB 0.345 38.394 38.000 0.083 0.000 1.382 284 I HN 1.204 nan 8.210 nan 0.000 0.588 285 G N 4.410 113.266 108.800 0.094 0.000 2.554 285 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.253 285 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.253 285 G C 0.441 175.395 174.900 0.091 0.000 1.172 285 G CA 0.169 45.321 45.100 0.086 0.000 0.950 285 G HN 0.737 nan 8.290 nan 0.000 0.557 286 I N 2.749 123.364 120.570 0.075 0.000 2.118 286 I HA -0.149 4.021 4.170 -0.000 0.000 0.241 286 I C 0.177 176.350 176.117 0.093 0.000 1.070 286 I CA 2.525 63.869 61.300 0.074 0.000 1.327 286 I CB -1.098 36.928 38.000 0.043 0.000 1.034 286 I HN 0.348 nan 8.210 nan 0.000 0.405 287 P HA -0.196 nan 4.420 nan 0.000 0.215 287 P C 1.849 179.246 177.300 0.162 0.000 1.157 287 P CA 1.258 64.421 63.100 0.106 0.000 0.868 287 P CB -0.017 31.733 31.700 0.083 0.000 0.788 288 L N -1.084 120.218 121.223 0.131 0.000 2.083 288 L HA -0.112 4.227 4.340 -0.000 0.000 0.209 288 L C 2.188 179.129 176.870 0.119 0.000 1.083 288 L CA 1.660 56.568 54.840 0.114 0.000 0.752 288 L CB -1.299 40.815 42.059 0.091 0.000 0.899 288 L HN -0.122 nan 8.230 nan 0.000 0.433 289 L N -0.938 120.371 121.223 0.143 0.000 2.141 289 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 289 L C 2.596 179.617 176.870 0.251 0.000 1.094 289 L CA 0.953 55.892 54.840 0.165 0.000 0.763 289 L CB -0.807 41.353 42.059 0.169 0.000 0.908 289 L HN 0.354 nan 8.230 nan 0.000 0.437 290 A N 0.101 123.090 122.820 0.282 0.000 1.972 290 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 290 A C 2.502 180.361 177.584 0.457 0.000 1.169 290 A CA 1.826 54.108 52.037 0.407 0.000 0.635 290 A CB -0.611 18.582 19.000 0.321 0.000 0.810 290 A HN 0.532 nan 8.150 nan 0.000 0.446 291 S N 0.447 116.301 115.700 0.257 0.000 2.442 291 S HA -0.155 4.315 4.470 -0.000 0.000 0.236 291 S C 1.484 176.020 174.600 -0.106 0.000 1.007 291 S CA 1.155 59.319 58.200 -0.060 0.000 0.965 291 S CB -0.653 62.461 63.200 -0.143 0.000 0.773 291 S HN 0.591 nan 8.310 nan 0.000 0.504 292 N N 0.939 119.601 118.700 -0.063 0.000 2.453 292 N HA 0.039 4.779 4.740 -0.000 0.000 0.183 292 N C 0.406 175.699 175.510 -0.362 0.000 1.041 292 N CA 0.917 53.819 53.050 -0.246 0.000 0.900 292 N CB -0.415 37.869 38.487 -0.337 0.000 0.961 292 N HN 0.569 nan 8.380 nan 0.000 0.443 293 F N 0.619 120.568 119.950 -0.000 0.000 2.693 293 F HA 0.336 4.863 4.527 -0.000 0.000 0.303 293 F C 0.832 176.631 175.800 -0.000 0.000 1.097 293 F CA -0.445 57.565 58.000 0.017 0.000 1.330 293 F CB 0.098 39.132 39.000 0.058 0.000 1.067 293 F HN -0.188 nan 8.300 nan 0.000 0.565 294 I N 0.595 121.189 120.570 0.039 0.000 2.683 294 I HA -0.080 4.089 4.170 -0.000 0.000 0.286 294 I C 1.025 177.114 176.117 -0.046 0.000 1.175 294 I CA -0.008 61.254 61.300 -0.064 0.000 1.429 294 I CB 0.505 38.330 38.000 -0.292 0.000 1.371 294 I HN -0.011 nan 8.210 nan 0.000 0.569 295 S N 7.969 123.659 115.700 -0.016 0.000 2.549 295 S HA 0.186 4.655 4.470 -0.000 0.000 0.283 295 S C -1.393 173.175 174.600 -0.053 0.000 1.320 295 S CA -1.154 57.036 58.200 -0.017 0.000 1.058 295 S CB 0.930 64.131 63.200 0.003 0.000 0.882 295 S HN 0.380 nan 8.310 nan 0.000 0.498 296 P HA -0.061 nan 4.420 nan 0.000 0.222 296 P C 0.431 177.701 177.300 -0.051 0.000 1.142 296 P CA 0.903 63.969 63.100 -0.056 0.000 0.788 296 P CB -0.013 31.661 31.700 -0.042 0.000 0.767 297 N N -1.522 117.155 118.700 -0.039 0.000 2.398 297 N HA 0.073 4.813 4.740 -0.000 0.000 0.188 297 N C 0.592 176.075 175.510 -0.046 0.000 1.122 297 N CA 0.584 53.614 53.050 -0.035 0.000 0.866 297 N CB -0.060 38.416 38.487 -0.019 0.000 0.970 297 N HN 0.300 nan 8.380 nan 0.000 0.462 298 M N -0.230 119.330 119.600 -0.066 0.000 2.528 298 M HA 0.269 4.749 4.480 -0.000 0.000 0.321 298 M C -0.551 175.660 176.300 -0.148 0.000 1.153 298 M CA -0.358 54.889 55.300 -0.088 0.000 0.951 298 M CB 2.303 34.857 32.600 -0.076 0.000 1.705 298 M HN -0.298 nan 8.290 nan 0.000 0.451 299 T N 2.374 116.815 114.554 -0.188 0.000 2.788 299 T HA 0.570 4.920 4.350 -0.000 0.000 0.296 299 T C -0.734 173.695 174.700 -0.450 0.000 1.009 299 T CA -0.498 61.411 62.100 -0.319 0.000 0.949 299 T CB 0.725 69.421 68.868 -0.286 0.000 0.946 299 T HN 0.373 nan 8.240 nan 0.000 0.453 300 V N 4.962 124.564 119.914 -0.520 0.000 2.531 300 V HA 0.390 4.510 4.120 -0.000 0.000 0.301 300 V C -0.679 175.072 176.094 -0.571 0.000 1.034 300 V CA -1.011 60.981 62.300 -0.514 0.000 0.865 300 V CB 1.673 33.248 31.823 -0.412 0.000 0.995 300 V HN 0.813 nan 8.190 nan 0.000 0.424 301 H N 5.159 124.059 119.070 -0.283 0.000 2.504 301 H HA 0.522 5.078 4.556 -0.000 0.000 0.322 301 H C -0.584 174.706 175.328 -0.064 0.000 1.055 301 H CA -0.432 55.500 56.048 -0.193 0.000 1.231 301 H CB 1.756 31.358 29.762 -0.266 0.000 1.417 301 H HN 0.433 nan 8.280 nan 0.000 0.472 302 L N 2.861 124.122 121.223 0.064 0.000 2.275 302 L HA 0.242 4.582 4.340 -0.000 0.000 0.288 302 L C 0.656 177.572 176.870 0.077 0.000 1.046 302 L CA -0.451 54.420 54.840 0.052 0.000 0.805 302 L CB 1.331 43.381 42.059 -0.015 0.000 1.193 302 L HN 0.392 nan 8.230 nan 0.000 0.426 303 Q N 2.131 121.987 119.800 0.094 0.000 2.245 303 Q HA 0.365 4.705 4.340 -0.000 0.000 0.256 303 Q C -1.211 174.794 176.000 0.008 0.000 0.942 303 Q CA -0.145 55.704 55.803 0.076 0.000 0.896 303 Q CB 2.207 31.004 28.738 0.097 0.000 1.272 303 Q HN 0.597 nan 8.270 nan 0.000 0.442 304 S N 1.738 117.411 115.700 -0.044 0.000 2.502 304 S HA 0.155 4.625 4.470 -0.000 0.000 0.304 304 S C 0.736 175.229 174.600 -0.179 0.000 1.097 304 S CA -0.585 57.555 58.200 -0.100 0.000 1.045 304 S CB 0.851 63.975 63.200 -0.125 0.000 1.019 304 S HN 0.667 nan 8.310 nan 0.000 0.481 305 E N 3.550 123.632 120.200 -0.196 0.000 2.338 305 E HA -0.145 4.205 4.350 -0.000 0.000 0.197 305 E C 0.677 177.072 176.600 -0.342 0.000 1.007 305 E CA 0.724 56.920 56.400 -0.340 0.000 0.849 305 E CB -0.417 29.105 29.700 -0.297 0.000 0.774 305 E HN 0.719 nan 8.360 nan 0.000 0.506 306 N N 1.189 119.598 118.700 -0.485 0.000 2.461 306 N HA 0.016 4.756 4.740 -0.000 0.000 0.188 306 N C 0.845 176.051 175.510 -0.507 0.000 1.134 306 N CA 0.842 53.455 53.050 -0.728 0.000 0.878 306 N CB 0.432 38.003 38.487 -1.526 0.000 0.972 306 N HN 0.288 nan 8.380 nan 0.000 0.456 307 G N 0.260 108.770 108.800 -0.483 0.000 2.338 307 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.115 307 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.115 307 G C -0.713 173.504 174.900 -1.139 0.000 1.053 307 G CA -0.451 44.188 45.100 -0.769 0.000 0.733 307 G HN 0.291 nan 8.290 nan 0.000 0.482 308 I N -0.268 119.817 120.570 -0.808 0.000 2.647 308 I HA 0.717 4.887 4.170 -0.000 0.000 0.295 308 I C -0.648 175.317 176.117 -0.254 0.000 1.078 308 I CA -1.400 59.553 61.300 -0.579 0.000 1.048 308 I CB 2.199 40.040 38.000 -0.265 0.000 1.239 308 I HN 0.080 nan 8.210 nan 0.000 0.421 309 L N 4.756 125.898 121.223 -0.134 0.000 2.376 309 L HA 0.829 5.169 4.340 -0.000 0.000 0.275 309 L C 0.184 177.018 176.870 -0.061 0.000 0.987 309 L CA 0.220 55.093 54.840 0.056 0.000 0.828 309 L CB 1.596 43.778 42.059 0.205 0.000 1.249 309 L HN 0.820 nan 8.230 nan 0.000 0.409 310 G N 4.543 113.332 108.800 -0.017 0.000 2.327 310 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.159 310 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.159 310 G C -0.254 174.609 174.900 -0.062 0.000 1.056 310 G CA -0.219 44.865 45.100 -0.026 0.000 0.751 310 G HN 0.629 nan 8.290 nan 0.000 0.488 311 L N 0.346 121.533 121.223 -0.060 0.000 2.514 311 L HA 0.467 4.807 4.340 -0.000 0.000 0.280 311 L C 1.460 178.275 176.870 -0.091 0.000 1.223 311 L CA 0.882 55.675 54.840 -0.078 0.000 0.864 311 L CB 0.537 42.550 42.059 -0.076 0.000 1.118 311 L HN 0.374 nan 8.230 nan 0.000 0.494 312 G N 2.708 111.447 108.800 -0.101 0.000 3.107 312 G HA2 0.661 4.621 3.960 -0.000 0.000 0.232 312 G HA3 0.661 4.621 3.960 -0.000 0.000 0.232 312 G C -2.775 172.024 174.900 -0.169 0.000 1.339 312 G CA -1.000 44.031 45.100 -0.115 0.000 1.033 312 G HN 0.367 nan 8.290 nan 0.000 0.567 313 P HA 0.181 nan 4.420 nan 0.000 0.273 313 P C -0.798 176.402 177.300 -0.165 0.000 1.250 313 P CA -0.265 62.718 63.100 -0.195 0.000 0.793 313 P CB 0.245 31.887 31.700 -0.097 0.000 1.011 314 Y N 0.609 120.900 120.300 -0.015 0.000 2.578 314 Y HA 0.105 4.654 4.550 -0.000 0.000 0.339 314 Y C -1.254 174.641 175.900 -0.007 0.000 1.231 314 Y CA -1.498 56.599 58.100 -0.006 0.000 1.461 314 Y CB -0.502 37.956 38.460 -0.003 0.000 1.323 314 Y HN 0.304 nan 8.280 nan 0.000 0.590 315 P HA 0.113 nan 4.420 nan 0.000 0.277 315 P C -0.653 176.688 177.300 0.069 0.000 1.240 315 P CA -0.226 62.926 63.100 0.088 0.000 0.798 315 P CB 1.021 32.764 31.700 0.071 0.000 0.979 316 L N 1.991 123.240 121.223 0.042 0.000 2.472 316 L HA 0.043 4.383 4.340 -0.000 0.000 0.260 316 L C 2.355 179.238 176.870 0.022 0.000 1.209 316 L CA -0.473 54.383 54.840 0.028 0.000 0.817 316 L CB -0.181 41.889 42.059 0.019 0.000 1.106 316 L HN 0.367 nan 8.230 nan 0.000 0.479 317 Q N 1.576 121.384 119.800 0.014 0.000 2.096 317 Q HA -0.228 4.112 4.340 -0.000 0.000 0.208 317 Q C 1.610 177.616 176.000 0.011 0.000 0.993 317 Q CA 2.096 57.905 55.803 0.010 0.000 0.862 317 Q CB -0.594 28.148 28.738 0.005 0.000 0.915 317 Q HN 0.795 nan 8.270 nan 0.000 0.416 318 N N -0.011 118.696 118.700 0.011 0.000 2.515 318 N HA -0.131 4.609 4.740 -0.000 0.000 0.185 318 N C 0.731 176.248 175.510 0.011 0.000 1.109 318 N CA 0.633 53.689 53.050 0.010 0.000 0.903 318 N CB 0.069 38.562 38.487 0.010 0.000 0.969 318 N HN 0.367 nan 8.380 nan 0.000 0.450 319 E N 0.072 120.281 120.200 0.015 0.000 2.460 319 E HA 0.149 4.499 4.350 -0.000 0.000 0.200 319 E C -0.170 176.440 176.600 0.017 0.000 1.011 319 E CA -0.256 56.153 56.400 0.016 0.000 0.912 319 E CB 0.973 30.686 29.700 0.021 0.000 0.953 319 E HN 0.048 nan 8.360 nan 0.000 0.494 320 V N 2.646 122.571 119.914 0.018 0.000 2.617 320 V HA -0.041 4.079 4.120 -0.000 0.000 0.304 320 V C 0.019 176.117 176.094 0.006 0.000 1.040 320 V CA 0.704 63.015 62.300 0.019 0.000 1.149 320 V CB 0.571 32.403 31.823 0.016 0.000 0.914 320 V HN 0.130 nan 8.190 nan 0.000 0.487 321 D N 3.367 123.769 120.400 0.004 0.000 2.855 321 D HA 0.474 5.113 4.640 -0.000 0.000 0.241 321 D C 0.500 176.791 176.300 -0.015 0.000 1.277 321 D CA -0.096 53.892 54.000 -0.020 0.000 0.918 321 D CB 2.208 42.983 40.800 -0.043 0.000 1.462 321 D HN 0.483 nan 8.370 nan 0.000 0.559 322 A N 3.167 125.977 122.820 -0.016 0.000 2.125 322 A HA -0.121 4.198 4.320 -0.000 0.000 0.219 322 A C 1.193 178.771 177.584 -0.010 0.000 1.156 322 A CA 1.083 53.122 52.037 0.003 0.000 0.671 322 A CB 0.048 19.058 19.000 0.016 0.000 0.794 322 A HN 0.480 nan 8.150 nan 0.000 0.459 323 D N -1.424 118.934 120.400 -0.069 0.000 2.340 323 D HA 0.185 4.825 4.640 -0.000 0.000 0.220 323 D C -0.354 175.872 176.300 -0.123 0.000 1.039 323 D CA 0.330 54.260 54.000 -0.118 0.000 0.866 323 D CB 0.474 41.134 40.800 -0.233 0.000 0.913 323 D HN 0.302 nan 8.370 nan 0.000 0.523 324 L N 1.767 122.955 121.223 -0.058 0.000 2.442 324 L HA 0.395 4.734 4.340 -0.000 0.000 0.261 324 L C -0.856 176.037 176.870 0.037 0.000 1.000 324 L CA -0.735 54.092 54.840 -0.021 0.000 0.882 324 L CB 0.623 42.676 42.059 -0.009 0.000 1.207 324 L HN -0.083 nan 8.230 nan 0.000 0.443 325 I N 1.201 121.805 120.570 0.057 0.000 3.074 325 I HA 0.732 4.902 4.170 -0.000 0.000 0.310 325 I C -0.678 175.495 176.117 0.095 0.000 1.153 325 I CA -0.891 60.473 61.300 0.106 0.000 0.993 325 I CB 2.187 40.285 38.000 0.162 0.000 1.237 325 I HN 0.556 nan 8.210 nan 0.000 0.443 326 N N 2.757 121.534 118.700 0.129 0.000 2.476 326 N HA 0.453 5.193 4.740 -0.000 0.000 0.287 326 N C 0.657 176.287 175.510 0.200 0.000 1.262 326 N CA -0.139 52.973 53.050 0.103 0.000 0.980 326 N CB 0.750 39.293 38.487 0.093 0.000 1.163 326 N HN 0.812 nan 8.380 nan 0.000 0.592 327 A N -1.193 121.731 122.820 0.173 0.000 2.066 327 A HA 0.137 4.456 4.320 -0.000 0.000 0.218 327 A C 1.771 179.556 177.584 0.335 0.000 1.157 327 A CA 1.269 53.504 52.037 0.329 0.000 0.670 327 A CB -1.386 17.733 19.000 0.198 0.000 0.804 327 A HN 0.798 nan 8.150 nan 0.000 0.453 328 G N -1.262 107.669 108.800 0.218 0.000 2.848 328 G HA2 0.189 4.149 3.960 -0.000 0.000 0.208 328 G HA3 0.189 4.149 3.960 -0.000 0.000 0.208 328 G C 0.629 175.635 174.900 0.177 0.000 1.152 328 G CA 0.524 45.727 45.100 0.172 0.000 0.789 328 G HN 0.323 nan 8.290 nan 0.000 0.531 329 K N -0.294 120.245 120.400 0.232 0.000 3.391 329 K HA -0.159 4.160 4.320 -0.000 0.000 0.307 329 K C -0.092 176.604 176.600 0.159 0.000 1.304 329 K CA 0.879 57.288 56.287 0.203 0.000 0.904 329 K CB -1.935 30.642 32.500 0.128 0.000 1.293 329 K HN 0.646 nan 8.250 nan 0.000 0.470 330 E N 1.386 121.689 120.200 0.171 0.000 2.301 330 E HA 0.186 4.536 4.350 -0.000 0.000 0.275 330 E C 0.377 177.080 176.600 0.172 0.000 1.030 330 E CA -0.217 56.278 56.400 0.158 0.000 0.852 330 E CB 0.707 30.544 29.700 0.228 0.000 1.060 330 E HN 0.236 nan 8.360 nan 0.000 0.401 331 T N -0.506 114.127 114.554 0.132 0.000 2.928 331 T HA 0.245 4.594 4.350 -0.000 0.000 0.305 331 T C 0.211 175.034 174.700 0.205 0.000 1.035 331 T CA -0.634 61.543 62.100 0.128 0.000 1.145 331 T CB 0.356 69.274 68.868 0.083 0.000 0.963 331 T HN 0.154 nan 8.240 nan 0.000 0.545 332 V N 2.072 122.071 119.914 0.142 0.000 3.165 332 V HA 0.802 4.921 4.120 -0.000 0.000 0.309 332 V C 0.449 176.578 176.094 0.058 0.000 1.267 332 V CA -0.818 61.548 62.300 0.111 0.000 1.067 332 V CB 2.381 34.233 31.823 0.049 0.000 1.082 332 V HN 1.308 nan 8.190 nan 0.000 0.451 333 T N -0.950 113.613 114.554 0.015 0.000 2.927 333 T HA 0.863 5.213 4.350 -0.000 0.000 0.286 333 T C -0.580 174.111 174.700 -0.015 0.000 1.040 333 T CA -0.508 61.597 62.100 0.008 0.000 1.010 333 T CB 1.794 70.661 68.868 -0.001 0.000 1.177 333 T HN 1.246 nan 8.240 nan 0.000 0.546 334 V N -0.754 119.153 119.914 -0.011 0.000 2.919 334 V HA 0.760 4.879 4.120 -0.000 0.000 0.316 334 V C -0.364 175.703 176.094 -0.045 0.000 1.077 334 V CA -1.335 60.936 62.300 -0.048 0.000 0.977 334 V CB 1.059 32.829 31.823 -0.087 0.000 1.039 334 V HN 0.984 nan 8.190 nan 0.000 0.441 335 L N 1.712 122.903 121.223 -0.054 0.000 2.454 335 L HA 0.538 4.878 4.340 -0.000 0.000 0.256 335 L C -2.084 174.764 176.870 -0.036 0.000 1.136 335 L CA -1.785 53.031 54.840 -0.039 0.000 0.804 335 L CB 0.917 42.957 42.059 -0.032 0.000 1.181 335 L HN 0.479 nan 8.230 nan 0.000 0.469 336 P HA 0.072 nan 4.420 nan 0.000 0.267 336 P C 0.452 177.735 177.300 -0.028 0.000 1.200 336 P CA 0.471 63.559 63.100 -0.020 0.000 0.772 336 P CB 0.517 32.212 31.700 -0.010 0.000 0.855 337 G N 0.803 109.581 108.800 -0.037 0.000 2.153 337 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.252 337 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.252 337 G C 0.484 175.330 174.900 -0.090 0.000 0.994 337 G CA 0.008 45.076 45.100 -0.053 0.000 0.698 337 G HN 0.840 nan 8.290 nan 0.000 0.521 338 A N -0.447 122.304 122.820 -0.115 0.000 2.327 338 A HA 0.852 5.172 4.320 -0.000 0.000 0.255 338 A C 0.854 178.291 177.584 -0.246 0.000 1.099 338 A CA 0.960 52.880 52.037 -0.195 0.000 0.801 338 A CB 0.606 19.451 19.000 -0.258 0.000 1.062 338 A HN 2.058 nan 8.150 nan 0.000 0.496 339 S N -1.320 114.183 115.700 -0.328 0.000 2.588 339 S HA 0.728 5.197 4.470 -0.000 0.000 0.275 339 S C -1.255 173.027 174.600 -0.530 0.000 1.130 339 S CA -0.648 57.391 58.200 -0.268 0.000 0.855 339 S CB 0.862 64.068 63.200 0.009 0.000 1.116 339 S HN 0.557 nan 8.310 nan 0.000 0.472 340 Y N 0.826 121.059 120.300 -0.113 0.000 2.468 340 Y HA 0.806 5.356 4.550 -0.000 0.000 0.342 340 Y C -0.326 175.411 175.900 -0.272 0.000 1.021 340 Y CA -0.958 56.913 58.100 -0.382 0.000 1.079 340 Y CB 1.710 40.008 38.460 -0.271 0.000 1.226 340 Y HN 0.862 nan 8.280 nan 0.000 0.460 341 F N -1.785 118.140 119.950 -0.042 0.000 2.741 341 F HA 0.676 5.202 4.527 -0.000 0.000 0.313 341 F C -0.511 175.170 175.800 -0.199 0.000 1.153 341 F CA -1.618 56.293 58.000 -0.148 0.000 0.931 341 F CB 0.500 39.402 39.000 -0.163 0.000 1.335 341 F HN 0.346 nan 8.300 nan 0.000 0.460 342 S N -0.191 115.493 115.700 -0.028 0.000 2.624 342 S HA 0.333 4.803 4.470 -0.000 0.000 0.263 342 S C 0.608 175.117 174.600 -0.151 0.000 1.287 342 S CA 0.053 58.142 58.200 -0.185 0.000 0.990 342 S CB 1.240 64.306 63.200 -0.223 0.000 0.950 342 S HN 0.683 nan 8.310 nan 0.000 0.561 343 S N 1.377 116.883 115.700 -0.324 0.000 2.383 343 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 343 S C 1.728 176.233 174.600 -0.158 0.000 1.026 343 S CA 1.262 59.245 58.200 -0.362 0.000 0.981 343 S CB -0.669 61.886 63.200 -1.075 0.000 0.818 343 S HN 0.919 nan 8.310 nan 0.000 0.472 344 D N 1.508 121.783 120.400 -0.207 0.000 2.117 344 D HA -0.169 4.470 4.640 -0.000 0.000 0.197 344 D C 1.780 178.049 176.300 -0.053 0.000 0.987 344 D CA 1.160 55.100 54.000 -0.100 0.000 0.829 344 D CB -0.477 40.243 40.800 -0.133 0.000 0.961 344 D HN 0.357 nan 8.370 nan 0.000 0.460 345 E N 1.045 121.202 120.200 -0.071 0.000 2.106 345 E HA -0.142 4.207 4.350 -0.000 0.000 0.192 345 E C 2.083 178.610 176.600 -0.122 0.000 0.984 345 E CA 1.340 57.678 56.400 -0.103 0.000 0.806 345 E CB -0.410 29.230 29.700 -0.099 0.000 0.750 345 E HN 0.154 nan 8.360 nan 0.000 0.458 346 S N -1.161 114.552 115.700 0.022 0.000 2.370 346 S HA -0.142 4.328 4.470 -0.000 0.000 0.226 346 S C 1.634 176.085 174.600 -0.250 0.000 1.033 346 S CA 1.349 59.525 58.200 -0.041 0.000 1.011 346 S CB -0.468 62.684 63.200 -0.080 0.000 0.852 346 S HN 0.400 nan 8.310 nan 0.000 0.457 347 F N 1.311 121.237 119.950 -0.041 0.000 2.615 347 F HA 0.321 4.848 4.527 -0.000 0.000 0.297 347 F C 2.358 178.143 175.800 -0.025 0.000 1.124 347 F CA 0.414 58.403 58.000 -0.019 0.000 1.451 347 F CB -0.374 38.624 39.000 -0.004 0.000 1.103 347 F HN 0.274 nan 8.300 nan 0.000 0.569 348 A N 0.034 122.887 122.820 0.054 0.000 1.898 348 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 348 A C 2.248 179.834 177.584 0.003 0.000 1.181 348 A CA 1.494 53.532 52.037 0.002 0.000 0.620 348 A CB -0.694 18.259 19.000 -0.078 0.000 0.819 348 A HN 0.371 nan 8.150 nan 0.000 0.442 349 M N -0.641 118.892 119.600 -0.111 0.000 2.080 349 M HA -0.158 4.322 4.480 -0.000 0.000 0.260 349 M C 1.996 178.323 176.300 0.044 0.000 1.068 349 M CA 1.904 57.127 55.300 -0.129 0.000 1.109 349 M CB -0.301 32.106 32.600 -0.321 0.000 1.342 349 M HN 0.463 nan 8.290 nan 0.000 0.405 350 I N -0.776 119.786 120.570 -0.014 0.000 2.193 350 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 350 I C 2.438 178.612 176.117 0.096 0.000 1.084 350 I CA 1.201 62.516 61.300 0.024 0.000 1.365 350 I CB -0.384 37.594 38.000 -0.037 0.000 1.064 350 I HN 0.240 nan 8.210 nan 0.000 0.410 351 R N 0.518 121.103 120.500 0.141 0.000 2.148 351 R HA -0.064 4.276 4.340 -0.000 0.000 0.227 351 R C 2.127 178.489 176.300 0.103 0.000 1.103 351 R CA 1.189 57.377 56.100 0.146 0.000 0.983 351 R CB -0.468 29.938 30.300 0.177 0.000 0.874 351 R HN 0.414 nan 8.270 nan 0.000 0.451 352 G N -0.510 108.350 108.800 0.100 0.000 2.848 352 G HA2 0.057 4.016 3.960 -0.000 0.000 0.208 352 G HA3 0.057 4.016 3.960 -0.000 0.000 0.208 352 G C 0.831 175.618 174.900 -0.190 0.000 1.152 352 G CA 0.456 45.569 45.100 0.021 0.000 0.789 352 G HN 0.454 nan 8.290 nan 0.000 0.531 353 G N -0.237 108.506 108.800 -0.094 0.000 2.147 353 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 353 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 353 G C 0.823 175.600 174.900 -0.206 0.000 1.005 353 G CA 0.505 45.527 45.100 -0.130 0.000 0.713 353 G HN 0.588 nan 8.290 nan 0.000 0.515 354 H N -1.108 117.926 119.070 -0.059 0.000 2.512 354 H HA 0.158 4.714 4.556 -0.000 0.000 0.279 354 H C 1.500 176.772 175.328 -0.093 0.000 0.999 354 H CA 1.018 57.001 56.048 -0.109 0.000 1.283 354 H CB 0.421 30.071 29.762 -0.187 0.000 1.421 354 H HN 0.338 nan 8.280 nan 0.000 0.554 355 V N 2.375 122.326 119.914 0.062 0.000 2.583 355 V HA -0.020 4.100 4.120 -0.000 0.000 0.287 355 V C 0.752 176.907 176.094 0.101 0.000 1.051 355 V CA 0.061 62.419 62.300 0.095 0.000 1.010 355 V CB 1.365 33.235 31.823 0.077 0.000 0.988 355 V HN 0.373 nan 8.190 nan 0.000 0.478 356 N N 2.867 121.659 118.700 0.153 0.000 2.290 356 N HA 0.109 4.849 4.740 -0.000 0.000 0.179 356 N C -0.061 175.499 175.510 0.084 0.000 1.016 356 N CA 0.304 53.424 53.050 0.116 0.000 0.871 356 N CB 0.227 38.800 38.487 0.144 0.000 0.987 356 N HN 0.493 nan 8.380 nan 0.000 0.431 357 L N 0.253 121.533 121.223 0.095 0.000 2.438 357 L HA 0.443 4.783 4.340 -0.000 0.000 0.270 357 L C -1.333 175.579 176.870 0.069 0.000 0.972 357 L CA -0.305 54.573 54.840 0.064 0.000 0.831 357 L CB 2.179 44.268 42.059 0.050 0.000 1.273 357 L HN -0.242 nan 8.230 nan 0.000 0.405 358 T N 6.467 121.050 114.554 0.049 0.000 2.770 358 T HA 0.560 4.910 4.350 -0.000 0.000 0.283 358 T C -0.568 174.151 174.700 0.032 0.000 0.988 358 T CA -0.164 61.967 62.100 0.051 0.000 0.957 358 T CB 0.704 69.603 68.868 0.053 0.000 0.930 358 T HN 0.683 nan 8.240 nan 0.000 0.443 359 M N 5.961 125.582 119.600 0.035 0.000 2.321 359 M HA 0.702 5.182 4.480 -0.000 0.000 0.315 359 M C -1.955 174.367 176.300 0.037 0.000 1.052 359 M CA -0.870 54.437 55.300 0.011 0.000 0.936 359 M CB 0.885 33.471 32.600 -0.024 0.000 1.639 359 M HN 0.542 nan 8.290 nan 0.000 0.433 360 L N 2.788 124.030 121.223 0.032 0.000 2.838 360 L HA 0.983 5.323 4.340 -0.000 0.000 0.266 360 L C -0.508 176.385 176.870 0.038 0.000 1.040 360 L CA -0.720 54.146 54.840 0.043 0.000 0.906 360 L CB 0.374 42.464 42.059 0.052 0.000 1.501 360 L HN 0.636 nan 8.230 nan 0.000 0.407 361 G N -1.051 107.776 108.800 0.045 0.000 2.522 361 G HA2 0.913 4.873 3.960 -0.000 0.000 0.304 361 G HA3 0.913 4.873 3.960 -0.000 0.000 0.304 361 G C -1.084 173.843 174.900 0.046 0.000 1.210 361 G CA -0.162 44.963 45.100 0.041 0.000 0.960 361 G HN 1.349 nan 8.290 nan 0.000 0.497 362 A N -0.553 122.289 122.820 0.038 0.000 2.612 362 A HA 0.605 4.925 4.320 -0.000 0.000 0.293 362 A C 0.433 178.035 177.584 0.030 0.000 1.075 362 A CA -0.552 51.509 52.037 0.041 0.000 0.680 362 A CB 1.176 20.195 19.000 0.031 0.000 1.279 362 A HN 0.551 nan 8.150 nan 0.000 0.411 363 M N -0.287 119.332 119.600 0.031 0.000 2.429 363 M HA 0.125 4.605 4.480 -0.000 0.000 0.265 363 M C 0.419 176.722 176.300 0.005 0.000 1.120 363 M CA 1.301 56.610 55.300 0.015 0.000 1.173 363 M CB 0.196 32.801 32.600 0.009 0.000 1.343 363 M HN 0.744 nan 8.290 nan 0.000 0.464 364 Q N -0.252 119.552 119.800 0.006 0.000 2.416 364 Q HA 0.625 4.965 4.340 -0.000 0.000 0.281 364 Q C -1.507 174.489 176.000 -0.007 0.000 1.067 364 Q CA -0.694 55.105 55.803 -0.006 0.000 0.809 364 Q CB 3.660 32.396 28.738 -0.004 0.000 1.418 364 Q HN -0.038 nan 8.270 nan 0.000 0.411 365 V N 0.955 120.849 119.914 -0.034 0.000 2.760 365 V HA 0.503 4.623 4.120 -0.000 0.000 0.309 365 V C -0.291 175.763 176.094 -0.067 0.000 1.077 365 V CA -0.764 61.513 62.300 -0.039 0.000 0.910 365 V CB 1.897 33.687 31.823 -0.055 0.000 1.008 365 V HN 0.922 nan 8.190 nan 0.000 0.424 366 S N 2.876 118.550 115.700 -0.043 0.000 2.669 366 S HA 0.339 4.809 4.470 -0.000 0.000 0.270 366 S C 1.051 175.573 174.600 -0.130 0.000 1.225 366 S CA 0.001 58.166 58.200 -0.058 0.000 0.991 366 S CB 1.150 64.360 63.200 0.017 0.000 0.987 366 S HN 0.905 nan 8.310 nan 0.000 0.552 367 K N -0.118 120.146 120.400 -0.227 0.000 2.280 367 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 367 K C 0.710 177.046 176.600 -0.439 0.000 1.047 367 K CA 1.583 57.627 56.287 -0.405 0.000 0.942 367 K CB -0.597 31.564 32.500 -0.565 0.000 0.739 367 K HN 0.749 nan 8.250 nan 0.000 0.457 368 Y N -0.066 120.214 120.300 -0.034 0.000 2.458 368 Y HA 0.294 4.843 4.550 -0.000 0.000 0.256 368 Y C 1.152 177.048 175.900 -0.007 0.000 1.159 368 Y CA -0.099 57.993 58.100 -0.014 0.000 1.261 368 Y CB 1.385 39.842 38.460 -0.006 0.000 1.119 368 Y HN 0.335 nan 8.280 nan 0.000 0.524 369 G N -0.124 108.724 108.800 0.079 0.000 2.148 369 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.203 369 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.203 369 G C -0.515 174.420 174.900 0.058 0.000 0.993 369 G CA -0.364 44.767 45.100 0.053 0.000 0.661 369 G HN 0.204 nan 8.290 nan 0.000 0.518 370 D N -0.054 120.387 120.400 0.068 0.000 2.443 370 D HA 0.433 5.073 4.640 -0.000 0.000 0.239 370 D C 0.378 176.706 176.300 0.046 0.000 1.136 370 D CA 0.265 54.300 54.000 0.058 0.000 0.879 370 D CB 1.683 42.517 40.800 0.057 0.000 1.195 370 D HN 0.355 nan 8.370 nan 0.000 0.443 371 L N 1.105 122.364 121.223 0.060 0.000 2.362 371 L HA 0.627 4.967 4.340 -0.000 0.000 0.275 371 L C -1.211 175.717 176.870 0.097 0.000 0.998 371 L CA -0.696 54.184 54.840 0.067 0.000 0.820 371 L CB 1.755 43.858 42.059 0.073 0.000 1.270 371 L HN 0.373 nan 8.230 nan 0.000 0.415 372 A N 3.777 126.648 122.820 0.085 0.000 2.311 372 A HA 0.666 4.985 4.320 -0.000 0.000 0.306 372 A C -0.378 177.271 177.584 0.108 0.000 1.189 372 A CA -0.320 51.781 52.037 0.106 0.000 0.791 372 A CB 0.339 19.362 19.000 0.038 0.000 1.172 372 A HN 0.813 nan 8.150 nan 0.000 0.481 373 N N 1.398 120.217 118.700 0.198 0.000 2.286 373 N HA -0.008 4.732 4.740 -0.000 0.000 0.245 373 N C 0.155 175.822 175.510 0.262 0.000 1.363 373 N CA 0.094 53.249 53.050 0.175 0.000 0.822 373 N CB -0.045 38.527 38.487 0.143 0.000 1.345 373 N HN 0.837 nan 8.380 nan 0.000 0.494 374 W N -0.181 121.154 121.300 0.059 0.000 2.520 374 W HA 0.543 5.203 4.660 -0.000 0.000 0.272 374 W C -0.769 175.799 176.519 0.083 0.000 0.984 374 W CA -0.327 57.069 57.345 0.085 0.000 1.314 374 W CB 0.331 29.844 29.460 0.088 0.000 0.945 374 W HN -0.044 nan 8.180 nan 0.000 0.596 375 M N 1.851 121.135 119.600 -0.527 0.000 2.378 375 M HA 0.534 5.014 4.480 -0.000 0.000 0.289 375 M C -2.295 173.796 176.300 -0.348 0.000 1.136 375 M CA -0.507 54.445 55.300 -0.579 0.000 0.917 375 M CB 2.619 34.498 32.600 -1.202 0.000 1.669 375 M HN -0.077 nan 8.290 nan 0.000 0.461 376 I N 6.010 126.449 120.570 -0.217 0.000 2.448 376 I HA 0.398 4.567 4.170 -0.000 0.000 0.281 376 I C -2.262 173.769 176.117 -0.144 0.000 1.027 376 I CA -1.921 59.286 61.300 -0.155 0.000 1.111 376 I CB 1.813 39.753 38.000 -0.101 0.000 1.236 376 I HN 0.447 nan 8.210 nan 0.000 0.452 377 P HA -0.030 nan 4.420 nan 0.000 0.261 377 P C 0.998 178.235 177.300 -0.105 0.000 1.173 377 P CA 0.965 64.004 63.100 -0.101 0.000 0.760 377 P CB 0.482 32.136 31.700 -0.076 0.000 0.783 378 G N 2.196 110.915 108.800 -0.135 0.000 2.168 378 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.263 378 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.263 378 G C 0.785 175.581 174.900 -0.174 0.000 0.977 378 G CA 0.998 45.985 45.100 -0.187 0.000 0.659 378 G HN 0.629 nan 8.290 nan 0.000 0.533 379 K N -1.773 118.539 120.400 -0.147 0.000 2.757 379 K HA 0.493 4.813 4.320 -0.000 0.000 0.201 379 K C 0.081 176.617 176.600 -0.106 0.000 1.495 379 K CA -0.027 56.190 56.287 -0.117 0.000 1.090 379 K CB 0.286 32.733 32.500 -0.089 0.000 1.796 379 K HN 0.389 nan 8.250 nan 0.000 0.523 380 L N 2.642 123.807 121.223 -0.097 0.000 2.318 380 L HA 0.370 4.710 4.340 -0.000 0.000 0.277 380 L C -0.731 176.099 176.870 -0.066 0.000 1.008 380 L CA -0.365 54.434 54.840 -0.068 0.000 0.846 380 L CB 1.699 43.731 42.059 -0.045 0.000 1.220 380 L HN 0.127 nan 8.230 nan 0.000 0.423 381 V N 1.100 120.994 119.914 -0.034 0.000 2.925 381 V HA 0.381 4.500 4.120 -0.000 0.000 0.361 381 V C 0.922 177.088 176.094 0.120 0.000 1.361 381 V CA -0.224 62.110 62.300 0.057 0.000 1.184 381 V CB -0.245 31.587 31.823 0.015 0.000 1.245 381 V HN 0.722 nan 8.190 nan 0.000 0.575 382 K N 1.863 122.272 120.400 0.015 0.000 2.459 382 K HA 0.512 4.831 4.320 -0.000 0.000 0.193 382 K C 1.086 177.638 176.600 -0.081 0.000 1.030 382 K CA 0.730 56.899 56.287 -0.195 0.000 1.026 382 K CB 0.257 32.500 32.500 -0.428 0.000 0.809 382 K HN 1.014 nan 8.250 nan 0.000 0.504 383 G N 1.343 110.313 108.800 0.283 0.000 2.603 383 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 383 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 383 G C 0.149 175.370 174.900 0.534 0.000 1.286 383 G CA -0.215 45.129 45.100 0.407 0.000 0.871 383 G HN 0.050 nan 8.290 nan 0.000 0.568 384 M N 0.417 120.138 119.600 0.203 0.000 2.441 384 M HA 0.394 4.874 4.480 -0.000 0.000 0.244 384 M C 1.562 177.871 176.300 0.015 0.000 1.122 384 M CA 1.816 57.124 55.300 0.014 0.000 1.041 384 M CB -1.170 31.102 32.600 -0.548 0.000 1.438 384 M HN 2.749 nan 8.290 nan 0.000 0.484 385 G N 1.861 110.706 108.800 0.076 0.000 2.651 385 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.315 385 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.315 385 G C 0.693 175.618 174.900 0.041 0.000 1.258 385 G CA 0.597 45.713 45.100 0.027 0.000 1.002 385 G HN 0.841 nan 8.290 nan 0.000 0.551 386 G N 0.047 108.925 108.800 0.129 0.000 3.189 386 G HA2 0.557 4.516 3.960 -0.000 0.000 0.225 386 G HA3 0.557 4.516 3.960 -0.000 0.000 0.225 386 G C 1.568 176.579 174.900 0.186 0.000 1.159 386 G CA 1.667 46.922 45.100 0.258 0.000 0.763 386 G HN 1.568 nan 8.290 nan 0.000 0.549 387 A N 0.840 123.704 122.820 0.073 0.000 1.930 387 A HA 0.051 4.370 4.320 -0.000 0.000 0.217 387 A C 2.316 179.925 177.584 0.042 0.000 1.175 387 A CA 1.208 53.282 52.037 0.061 0.000 0.627 387 A CB -0.281 18.747 19.000 0.046 0.000 0.815 387 A HN 0.384 nan 8.150 nan 0.000 0.443 388 M N -0.464 119.122 119.600 -0.024 0.000 2.159 388 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 388 M C 1.381 177.708 176.300 0.044 0.000 1.063 388 M CA 1.526 56.807 55.300 -0.031 0.000 1.110 388 M CB -0.563 31.962 32.600 -0.125 0.000 1.374 388 M HN 0.408 nan 8.290 nan 0.000 0.411 389 D N 0.509 120.963 120.400 0.089 0.000 2.144 389 D HA -0.082 4.557 4.640 -0.000 0.000 0.200 389 D C 2.033 178.445 176.300 0.187 0.000 0.978 389 D CA 1.216 55.323 54.000 0.178 0.000 0.833 389 D CB -0.080 40.915 40.800 0.325 0.000 0.961 389 D HN 0.363 nan 8.370 nan 0.000 0.470 390 L N 0.945 122.275 121.223 0.177 0.000 2.275 390 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 390 L C 2.129 179.055 176.870 0.093 0.000 1.119 390 L CA 0.560 55.478 54.840 0.130 0.000 0.790 390 L CB 0.024 42.153 42.059 0.117 0.000 0.919 390 L HN 0.000 nan 8.230 nan 0.000 0.443 391 V N -4.995 114.970 119.914 0.085 0.000 3.376 391 V HA 0.153 4.273 4.120 -0.000 0.000 0.313 391 V C 1.798 177.932 176.094 0.067 0.000 1.393 391 V CA 0.510 62.852 62.300 0.068 0.000 1.125 391 V CB 0.081 31.942 31.823 0.063 0.000 1.037 391 V HN 0.351 nan 8.190 nan 0.000 0.440 392 S N -0.466 115.281 115.700 0.078 0.000 2.528 392 S HA 0.144 4.614 4.470 -0.000 0.000 0.219 392 S C 1.088 175.722 174.600 0.057 0.000 0.985 392 S CA 0.641 58.885 58.200 0.073 0.000 0.914 392 S CB -0.084 63.176 63.200 0.100 0.000 0.776 392 S HN 0.676 nan 8.310 nan 0.000 0.526 393 S N 0.287 116.021 115.700 0.057 0.000 2.451 393 S HA 0.710 5.180 4.470 -0.000 0.000 0.301 393 S C 0.869 175.486 174.600 0.028 0.000 1.116 393 S CA -0.263 57.963 58.200 0.043 0.000 1.093 393 S CB 1.288 64.511 63.200 0.039 0.000 1.017 393 S HN 0.461 nan 8.310 nan 0.000 0.482 394 A N 4.767 127.599 122.820 0.020 0.000 2.172 394 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 394 A C 1.792 179.384 177.584 0.013 0.000 1.154 394 A CA 0.908 52.955 52.037 0.017 0.000 0.701 394 A CB -0.260 18.748 19.000 0.013 0.000 0.789 394 A HN 0.885 nan 8.150 nan 0.000 0.465 395 K N -0.524 119.879 120.400 0.005 0.000 2.365 395 K HA 0.032 4.352 4.320 -0.000 0.000 0.197 395 K C -0.243 176.359 176.600 0.004 0.000 1.042 395 K CA 0.567 56.850 56.287 -0.006 0.000 0.987 395 K CB 0.160 32.637 32.500 -0.039 0.000 0.779 395 K HN 0.289 nan 8.250 nan 0.000 0.484 396 T N 1.801 116.364 114.554 0.015 0.000 2.767 396 T HA 0.127 4.476 4.350 -0.000 0.000 0.284 396 T C -0.445 174.273 174.700 0.030 0.000 0.973 396 T CA -0.564 61.553 62.100 0.028 0.000 0.996 396 T CB 1.641 70.530 68.868 0.036 0.000 0.927 396 T HN 0.005 nan 8.240 nan 0.000 0.456 397 K N 3.065 123.483 120.400 0.030 0.000 2.368 397 K HA 0.306 4.626 4.320 -0.000 0.000 0.282 397 K C -0.898 175.716 176.600 0.023 0.000 1.035 397 K CA -0.277 56.024 56.287 0.023 0.000 0.973 397 K CB 0.364 32.874 32.500 0.016 0.000 0.957 397 K HN 0.313 nan 8.250 nan 0.000 0.474 398 V N 5.427 125.355 119.914 0.023 0.000 2.357 398 V HA 0.258 4.378 4.120 -0.000 0.000 0.284 398 V C -0.551 175.551 176.094 0.013 0.000 1.018 398 V CA -0.887 61.428 62.300 0.024 0.000 0.841 398 V CB 1.572 33.416 31.823 0.034 0.000 0.991 398 V HN 0.499 nan 8.190 nan 0.000 0.437 399 V N 5.829 125.744 119.914 0.001 0.000 2.409 399 V HA 0.436 4.556 4.120 -0.000 0.000 0.291 399 V C -0.058 176.035 176.094 -0.003 0.000 1.020 399 V CA -0.674 61.619 62.300 -0.011 0.000 0.848 399 V CB 2.003 33.798 31.823 -0.046 0.000 0.990 399 V HN 0.584 nan 8.190 nan 0.000 0.430 400 V N 4.518 124.434 119.914 0.005 0.000 2.465 400 V HA 0.468 4.588 4.120 -0.000 0.000 0.279 400 V C 0.526 176.620 176.094 0.001 0.000 1.045 400 V CA -0.213 62.092 62.300 0.009 0.000 0.938 400 V CB 1.923 33.753 31.823 0.011 0.000 0.986 400 V HN 1.036 nan 8.190 nan 0.000 0.467 401 T N 4.279 118.834 114.554 0.001 0.000 2.791 401 T HA 0.817 5.167 4.350 -0.000 0.000 0.288 401 T C -0.688 174.014 174.700 0.004 0.000 0.999 401 T CA -0.686 61.412 62.100 -0.004 0.000 0.952 401 T CB 1.061 69.925 68.868 -0.007 0.000 0.938 401 T HN 0.769 nan 8.240 nan 0.000 0.444 402 M N 0.425 120.025 119.600 -0.000 0.000 2.534 402 M HA 0.605 5.085 4.480 -0.000 0.000 0.280 402 M C -1.267 175.036 176.300 0.004 0.000 1.217 402 M CA -0.932 54.369 55.300 0.003 0.000 0.893 402 M CB 1.720 34.319 32.600 -0.001 0.000 1.730 402 M HN 0.356 nan 8.290 nan 0.000 0.483 403 E N 1.060 121.267 120.200 0.011 0.000 2.442 403 E HA -0.033 4.317 4.350 -0.000 0.000 0.262 403 E C 0.134 176.768 176.600 0.056 0.000 1.004 403 E CA 0.442 56.860 56.400 0.030 0.000 0.928 403 E CB 0.733 30.448 29.700 0.024 0.000 0.937 403 E HN 0.755 nan 8.360 nan 0.000 0.446 404 H N 1.307 120.382 119.070 0.009 0.000 2.321 404 H HA -0.025 4.530 4.556 -0.000 0.000 0.300 404 H C -0.021 175.340 175.328 0.054 0.000 1.087 404 H CA 1.439 57.510 56.048 0.038 0.000 1.319 404 H CB 0.500 30.285 29.762 0.038 0.000 1.379 404 H HN 0.199 nan 8.280 nan 0.000 0.501 405 S N -1.138 114.680 115.700 0.196 0.000 2.599 405 S HA 0.710 5.180 4.470 -0.000 0.000 0.294 405 S C -0.701 173.941 174.600 0.071 0.000 1.094 405 S CA -0.517 57.771 58.200 0.145 0.000 0.931 405 S CB 2.084 65.391 63.200 0.178 0.000 1.093 405 S HN 0.552 nan 8.310 nan 0.000 0.488 406 A N 1.475 124.321 122.820 0.043 0.000 2.239 406 A HA 0.660 4.980 4.320 -0.000 0.000 0.303 406 A C -0.341 177.246 177.584 0.005 0.000 1.114 406 A CA -0.632 51.415 52.037 0.016 0.000 0.871 406 A CB 0.106 19.108 19.000 0.003 0.000 1.201 406 A HN 0.606 nan 8.150 nan 0.000 0.506 407 K N 0.004 120.402 120.400 -0.003 0.000 2.484 407 K HA 0.263 4.583 4.320 -0.000 0.000 0.280 407 K C 0.965 177.553 176.600 -0.019 0.000 1.013 407 K CA 1.278 57.560 56.287 -0.009 0.000 1.029 407 K CB -0.245 32.249 32.500 -0.010 0.000 0.902 407 K HN 1.712 nan 8.250 nan 0.000 0.481 408 G N 2.581 111.370 108.800 -0.018 0.000 2.137 408 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.237 408 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.237 408 G C 0.379 175.256 174.900 -0.039 0.000 1.002 408 G CA 0.598 45.681 45.100 -0.027 0.000 0.702 408 G HN 0.865 nan 8.290 nan 0.000 0.515 409 N N -1.994 116.692 118.700 -0.023 0.000 2.693 409 N HA -0.082 4.658 4.740 -0.000 0.000 0.249 409 N C 0.717 176.168 175.510 -0.098 0.000 1.119 409 N CA 1.960 54.997 53.050 -0.021 0.000 0.717 409 N CB -1.156 37.330 38.487 -0.003 0.000 1.071 409 N HN 2.077 nan 8.380 nan 0.000 0.555 410 A N 0.284 123.043 122.820 -0.101 0.000 2.511 410 A HA 0.276 4.596 4.320 -0.000 0.000 0.242 410 A C -0.064 177.466 177.584 -0.091 0.000 1.069 410 A CA 0.076 52.016 52.037 -0.162 0.000 0.763 410 A CB 0.020 18.970 19.000 -0.084 0.000 1.001 410 A HN 0.578 nan 8.150 nan 0.000 0.498 411 H N 1.059 120.142 119.070 0.022 0.000 2.732 411 H HA 0.182 4.738 4.556 -0.000 0.000 0.351 411 H C 0.739 176.060 175.328 -0.011 0.000 1.090 411 H CA 0.027 56.086 56.048 0.018 0.000 1.431 411 H CB 1.080 30.851 29.762 0.015 0.000 1.447 411 H HN 0.746 nan 8.280 nan 0.000 0.582 412 K N 2.061 122.524 120.400 0.104 0.000 2.350 412 K HA 0.212 4.532 4.320 -0.000 0.000 0.196 412 K C -0.043 176.530 176.600 -0.045 0.000 1.084 412 K CA 0.283 56.576 56.287 0.011 0.000 0.967 412 K CB 0.799 33.289 32.500 -0.016 0.000 0.950 412 K HN 0.450 nan 8.250 nan 0.000 0.512 413 I N 3.539 124.048 120.570 -0.102 0.000 2.315 413 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 413 I C -0.109 175.921 176.117 -0.144 0.000 1.006 413 I CA -0.348 60.844 61.300 -0.180 0.000 1.265 413 I CB 0.806 38.605 38.000 -0.334 0.000 1.387 413 I HN 0.076 nan 8.210 nan 0.000 0.475 414 M N 2.876 122.404 119.600 -0.121 0.000 2.755 414 M HA 0.437 4.917 4.480 -0.000 0.000 0.273 414 M C 0.434 176.679 176.300 -0.093 0.000 1.278 414 M CA -0.771 54.475 55.300 -0.089 0.000 0.819 414 M CB 1.967 34.559 32.600 -0.014 0.000 1.694 414 M HN 0.396 nan 8.290 nan 0.000 0.460 415 E N 1.250 121.411 120.200 -0.065 0.000 2.077 415 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 415 E C -0.003 176.602 176.600 0.009 0.000 0.989 415 E CA 1.339 57.710 56.400 -0.048 0.000 0.800 415 E CB 0.517 30.211 29.700 -0.010 0.000 0.746 415 E HN 0.484 nan 8.360 nan 0.000 0.452 416 K N 0.042 120.451 120.400 0.014 0.000 2.482 416 K HA 0.271 4.591 4.320 -0.000 0.000 0.251 416 K C -1.464 175.145 176.600 0.014 0.000 0.936 416 K CA -0.866 55.439 56.287 0.030 0.000 0.791 416 K CB 1.514 34.034 32.500 0.033 0.000 1.213 416 K HN 0.115 nan 8.250 nan 0.000 0.428 417 C N 2.354 121.662 119.300 0.014 0.000 2.676 417 C HA 0.068 4.528 4.460 -0.000 0.000 0.416 417 C C 2.049 177.041 174.990 0.002 0.000 1.299 417 C CA -0.234 58.788 59.018 0.007 0.000 2.048 417 C CB 0.313 28.059 27.740 0.011 0.000 2.713 417 C HN 0.922 nan 8.230 nan 0.000 0.624 418 T N -0.297 114.254 114.554 -0.005 0.000 3.037 418 T HA 0.218 4.567 4.350 -0.000 0.000 0.251 418 T C 0.294 174.975 174.700 -0.030 0.000 1.079 418 T CA 0.336 62.428 62.100 -0.013 0.000 1.067 418 T CB -0.083 68.779 68.868 -0.011 0.000 0.948 418 T HN 0.534 nan 8.240 nan 0.000 0.496 419 L N 1.453 122.653 121.223 -0.037 0.000 2.352 419 L HA 0.529 4.869 4.340 -0.000 0.000 0.269 419 L C -2.461 174.365 176.870 -0.073 0.000 1.034 419 L CA -2.998 51.797 54.840 -0.074 0.000 0.806 419 L CB 1.031 43.041 42.059 -0.082 0.000 1.244 419 L HN -0.144 nan 8.230 nan 0.000 0.447 420 P HA 0.044 nan 4.420 nan 0.000 0.264 420 P C -0.752 176.583 177.300 0.058 0.000 1.183 420 P CA 0.109 63.155 63.100 -0.091 0.000 0.763 420 P CB 0.313 31.832 31.700 -0.302 0.000 0.807 421 L N 2.551 123.881 121.223 0.178 0.000 2.397 421 L HA 0.111 4.451 4.340 -0.000 0.000 0.271 421 L C 1.569 178.689 176.870 0.417 0.000 1.148 421 L CA 0.100 55.071 54.840 0.218 0.000 0.825 421 L CB 0.298 42.423 42.059 0.111 0.000 1.117 421 L HN 0.431 nan 8.230 nan 0.000 0.456 422 T N 0.639 115.388 114.554 0.325 0.000 3.009 422 T HA 0.143 4.493 4.350 -0.000 0.000 0.258 422 T C 0.594 175.340 174.700 0.076 0.000 1.063 422 T CA 0.715 62.931 62.100 0.192 0.000 1.139 422 T CB 0.310 69.294 68.868 0.193 0.000 0.890 422 T HN 0.816 nan 8.240 nan 0.000 0.471 423 G N 0.349 109.201 108.800 0.088 0.000 2.703 423 G HA2 0.555 4.515 3.960 -0.000 0.000 0.294 423 G HA3 0.555 4.515 3.960 -0.000 0.000 0.294 423 G C -1.881 173.052 174.900 0.055 0.000 1.451 423 G CA -0.851 44.285 45.100 0.060 0.000 0.869 423 G HN 0.001 nan 8.290 nan 0.000 0.516 424 K N 0.932 121.360 120.400 0.047 0.000 2.185 424 K HA 0.368 4.687 4.320 -0.000 0.000 0.269 424 K C 0.047 176.689 176.600 0.069 0.000 0.987 424 K CA -0.448 55.865 56.287 0.044 0.000 0.865 424 K CB 1.370 33.875 32.500 0.008 0.000 1.090 424 K HN 0.669 nan 8.250 nan 0.000 0.450 425 Q N 0.289 120.132 119.800 0.072 0.000 2.435 425 Q HA -0.253 4.086 4.340 -0.000 0.000 0.312 425 Q C 0.591 176.632 176.000 0.069 0.000 1.333 425 Q CA 0.610 56.461 55.803 0.081 0.000 0.883 425 Q CB -1.983 26.800 28.738 0.075 0.000 1.170 425 Q HN 0.895 nan 8.270 nan 0.000 0.443 426 C N -4.803 114.535 119.300 0.063 0.000 3.188 426 C HA 0.431 4.890 4.460 -0.000 0.000 0.315 426 C C 1.016 176.035 174.990 0.048 0.000 1.285 426 C CA -0.353 58.699 59.018 0.056 0.000 1.729 426 C CB -0.116 27.659 27.740 0.058 0.000 2.257 426 C HN 0.259 nan 8.230 nan 0.000 0.645 427 V N 3.557 123.499 119.914 0.045 0.000 2.546 427 V HA 0.239 4.358 4.120 -0.000 0.000 0.284 427 V C 0.375 176.490 176.094 0.035 0.000 1.050 427 V CA 0.468 62.789 62.300 0.036 0.000 0.981 427 V CB 1.040 32.879 31.823 0.026 0.000 0.990 427 V HN 0.459 nan 8.190 nan 0.000 0.474 428 N N 2.540 121.258 118.700 0.031 0.000 2.415 428 N HA 0.184 4.923 4.740 -0.000 0.000 0.174 428 N C 0.529 176.059 175.510 0.033 0.000 1.048 428 N CA 0.039 53.108 53.050 0.032 0.000 0.895 428 N CB 0.467 38.970 38.487 0.026 0.000 1.036 428 N HN 0.634 nan 8.380 nan 0.000 0.449 429 R N 0.455 120.973 120.500 0.029 0.000 2.643 429 R HA 0.480 4.819 4.340 -0.000 0.000 0.269 429 R C -2.028 174.295 176.300 0.038 0.000 1.037 429 R CA -0.485 55.637 56.100 0.037 0.000 0.894 429 R CB 1.261 31.570 30.300 0.015 0.000 1.238 429 R HN -0.086 nan 8.270 nan 0.000 0.459 430 I N 5.179 125.794 120.570 0.075 0.000 2.436 430 I HA 0.413 4.583 4.170 -0.000 0.000 0.289 430 I C -0.464 175.694 176.117 0.069 0.000 1.010 430 I CA -0.803 60.544 61.300 0.078 0.000 1.098 430 I CB 2.063 40.138 38.000 0.125 0.000 1.266 430 I HN 0.445 nan 8.210 nan 0.000 0.434 431 I N 5.552 126.136 120.570 0.023 0.000 2.389 431 I HA 0.389 4.559 4.170 -0.000 0.000 0.288 431 I C 0.295 176.414 176.117 0.003 0.000 0.999 431 I CA -0.249 61.048 61.300 -0.004 0.000 1.129 431 I CB 1.982 39.963 38.000 -0.032 0.000 1.288 431 I HN 0.636 nan 8.210 nan 0.000 0.444 432 T N 1.052 115.617 114.554 0.018 0.000 2.807 432 T HA 0.269 4.619 4.350 -0.000 0.000 0.277 432 T C 0.901 175.595 174.700 -0.010 0.000 1.006 432 T CA -0.608 61.517 62.100 0.041 0.000 1.006 432 T CB 1.740 70.707 68.868 0.165 0.000 1.274 432 T HN 0.643 nan 8.240 nan 0.000 0.569 433 E N 0.491 120.670 120.200 -0.036 0.000 2.347 433 E HA -0.069 4.281 4.350 -0.000 0.000 0.196 433 E C 1.210 177.701 176.600 -0.181 0.000 1.008 433 E CA 0.933 57.225 56.400 -0.179 0.000 0.852 433 E CB -0.093 29.479 29.700 -0.214 0.000 0.783 433 E HN 0.754 nan 8.360 nan 0.000 0.505 434 K N 0.051 120.429 120.400 -0.036 0.000 2.335 434 K HA 0.349 4.668 4.320 -0.000 0.000 0.195 434 K C 0.608 177.204 176.600 -0.005 0.000 1.058 434 K CA 0.665 56.940 56.287 -0.020 0.000 0.988 434 K CB 0.998 33.377 32.500 -0.201 0.000 0.880 434 K HN 0.143 nan 8.250 nan 0.000 0.513 435 A N 0.669 123.468 122.820 -0.036 0.000 2.612 435 A HA 0.571 4.891 4.320 -0.000 0.000 0.293 435 A C -1.487 175.951 177.584 -0.244 0.000 1.075 435 A CA -0.643 51.253 52.037 -0.234 0.000 0.680 435 A CB 1.712 20.405 19.000 -0.512 0.000 1.279 435 A HN -0.104 nan 8.150 nan 0.000 0.411 436 V N 1.084 120.795 119.914 -0.338 0.000 2.487 436 V HA 0.594 4.714 4.120 -0.000 0.000 0.298 436 V C -1.194 174.670 176.094 -0.383 0.000 1.028 436 V CA -0.206 61.948 62.300 -0.244 0.000 0.860 436 V CB 1.026 32.779 31.823 -0.118 0.000 0.991 436 V HN 0.679 nan 8.190 nan 0.000 0.427 437 F N 1.904 121.819 119.950 -0.058 0.000 2.482 437 F HA 0.518 5.045 4.527 -0.000 0.000 0.331 437 F C 0.407 176.184 175.800 -0.039 0.000 1.115 437 F CA -0.704 57.257 58.000 -0.064 0.000 0.955 437 F CB 1.599 40.542 39.000 -0.095 0.000 1.136 437 F HN 0.399 nan 8.300 nan 0.000 0.452 438 D N 1.916 122.416 120.400 0.167 0.000 2.264 438 D HA 0.451 5.091 4.640 -0.000 0.000 0.249 438 D C -0.696 175.667 176.300 0.105 0.000 1.070 438 D CA 0.048 54.112 54.000 0.106 0.000 0.912 438 D CB 2.075 42.920 40.800 0.075 0.000 1.193 438 D HN 0.091 nan 8.370 nan 0.000 0.427 439 V N 1.793 121.747 119.914 0.066 0.000 2.483 439 V HA 0.260 4.380 4.120 -0.000 0.000 0.297 439 V C -0.473 175.653 176.094 0.054 0.000 1.027 439 V CA -0.823 61.501 62.300 0.040 0.000 0.855 439 V CB 1.939 33.774 31.823 0.020 0.000 0.995 439 V HN 0.439 nan 8.190 nan 0.000 0.424 440 D N 2.477 122.916 120.400 0.065 0.000 2.375 440 D HA 0.405 5.044 4.640 -0.000 0.000 0.247 440 D C 1.284 177.681 176.300 0.162 0.000 1.061 440 D CA -0.730 53.326 54.000 0.094 0.000 0.834 440 D CB 1.527 42.381 40.800 0.090 0.000 1.247 440 D HN 0.575 nan 8.370 nan 0.000 0.489 441 R N 2.570 123.160 120.500 0.151 0.000 2.237 441 R HA -0.035 4.305 4.340 -0.000 0.000 0.219 441 R C 0.617 177.029 176.300 0.187 0.000 1.080 441 R CA 0.783 56.994 56.100 0.185 0.000 0.995 441 R CB 0.046 30.401 30.300 0.091 0.000 0.875 441 R HN 0.186 nan 8.270 nan 0.000 0.462 442 K N 0.913 121.415 120.400 0.171 0.000 2.306 442 K HA 0.148 4.468 4.320 -0.000 0.000 0.200 442 K C 1.486 178.241 176.600 0.259 0.000 1.083 442 K CA 0.791 57.148 56.287 0.116 0.000 0.959 442 K CB 0.282 32.815 32.500 0.055 0.000 0.994 442 K HN 0.149 nan 8.250 nan 0.000 0.492 443 K N 0.576 121.105 120.400 0.215 0.000 2.367 443 K HA 0.148 4.468 4.320 -0.000 0.000 0.194 443 K C 0.728 177.395 176.600 0.112 0.000 1.027 443 K CA 0.527 56.913 56.287 0.164 0.000 1.075 443 K CB 0.727 33.286 32.500 0.097 0.000 0.845 443 K HN 0.282 nan 8.250 nan 0.000 0.529 444 G N 1.813 110.663 108.800 0.082 0.000 2.488 444 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.237 444 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.237 444 G C -0.614 174.239 174.900 -0.079 0.000 1.209 444 G CA -0.701 44.288 45.100 -0.184 0.000 0.929 444 G HN 0.095 nan 8.290 nan 0.000 0.578 445 L N 0.877 122.043 121.223 -0.095 0.000 2.325 445 L HA 0.631 4.971 4.340 -0.000 0.000 0.279 445 L C 0.179 177.147 176.870 0.163 0.000 1.054 445 L CA -0.529 54.303 54.840 -0.012 0.000 0.804 445 L CB 1.842 43.774 42.059 -0.211 0.000 1.200 445 L HN 0.604 nan 8.230 nan 0.000 0.436 446 T N 3.496 118.187 114.554 0.229 0.000 2.815 446 T HA 0.306 4.656 4.350 -0.000 0.000 0.289 446 T C -0.410 174.459 174.700 0.282 0.000 1.000 446 T CA -0.463 61.787 62.100 0.251 0.000 0.958 446 T CB 1.431 70.385 68.868 0.144 0.000 0.944 446 T HN 0.241 nan 8.240 nan 0.000 0.442 447 L N 5.774 127.160 121.223 0.271 0.000 2.530 447 L HA 0.331 4.671 4.340 -0.000 0.000 0.273 447 L C 0.910 177.752 176.870 -0.046 0.000 1.141 447 L CA 0.281 55.080 54.840 -0.068 0.000 0.905 447 L CB -0.277 41.716 42.059 -0.111 0.000 1.202 447 L HN 0.771 nan 8.230 nan 0.000 0.473 448 I N 0.178 120.684 120.570 -0.107 0.000 3.939 448 I HA 0.414 4.584 4.170 -0.000 0.000 0.313 448 I C 0.050 176.121 176.117 -0.078 0.000 1.274 448 I CA -0.049 61.217 61.300 -0.057 0.000 1.301 448 I CB 0.152 38.137 38.000 -0.026 0.000 1.105 448 I HN 0.499 nan 8.210 nan 0.000 0.427 449 E N 1.495 121.616 120.200 -0.131 0.000 2.356 449 E HA 0.626 4.976 4.350 -0.000 0.000 0.275 449 E C -1.847 174.678 176.600 -0.125 0.000 0.904 449 E CA -0.885 55.457 56.400 -0.098 0.000 0.757 449 E CB 3.303 32.965 29.700 -0.064 0.000 1.232 449 E HN 0.060 nan 8.360 nan 0.000 0.442 450 L N 2.006 123.185 121.223 -0.073 0.000 2.438 450 L HA 0.381 4.721 4.340 -0.000 0.000 0.270 450 L C -1.233 175.645 176.870 0.014 0.000 0.972 450 L CA -0.425 54.382 54.840 -0.055 0.000 0.831 450 L CB 1.400 43.418 42.059 -0.068 0.000 1.273 450 L HN 0.718 nan 8.230 nan 0.000 0.405 451 W N 6.353 127.589 121.300 -0.107 0.000 2.295 451 W HA 0.126 4.786 4.660 -0.000 0.000 0.335 451 W C 0.177 176.657 176.519 -0.064 0.000 1.351 451 W CA -0.160 57.136 57.345 -0.081 0.000 1.273 451 W CB 0.721 30.135 29.460 -0.077 0.000 1.214 451 W HN 0.829 nan 8.180 nan 0.000 0.563 452 E N 4.124 123.656 120.200 -1.113 0.000 2.502 452 E HA 0.226 4.575 4.350 -0.000 0.000 0.261 452 E C 0.936 177.103 176.600 -0.722 0.000 0.974 452 E CA 0.718 56.607 56.400 -0.850 0.000 0.936 452 E CB 0.571 29.748 29.700 -0.871 0.000 0.926 452 E HN 0.767 nan 8.360 nan 0.000 0.459 453 G N 2.920 111.514 108.800 -0.345 0.000 2.299 453 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.237 453 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.237 453 G C 0.241 175.092 174.900 -0.081 0.000 1.027 453 G CA 0.152 45.144 45.100 -0.180 0.000 0.619 453 G HN 0.471 nan 8.290 nan 0.000 0.513 454 L N 1.945 123.129 121.223 -0.065 0.000 2.418 454 L HA 0.614 4.954 4.340 -0.000 0.000 0.265 454 L C 1.264 178.122 176.870 -0.020 0.000 1.143 454 L CA 0.060 54.901 54.840 0.002 0.000 0.809 454 L CB 1.316 43.408 42.059 0.055 0.000 1.124 454 L HN 0.451 nan 8.230 nan 0.000 0.456 455 T N -2.141 112.414 114.554 0.001 0.000 2.950 455 T HA 0.320 4.670 4.350 -0.000 0.000 0.288 455 T C 1.074 175.796 174.700 0.038 0.000 1.035 455 T CA -0.886 61.220 62.100 0.010 0.000 1.028 455 T CB 1.759 70.636 68.868 0.014 0.000 1.109 455 T HN 0.198 nan 8.240 nan 0.000 0.514 456 V N 1.115 121.067 119.914 0.062 0.000 2.380 456 V HA -0.180 3.940 4.120 -0.000 0.000 0.251 456 V C 2.382 178.574 176.094 0.164 0.000 1.063 456 V CA 2.184 64.567 62.300 0.139 0.000 1.055 456 V CB -0.842 31.070 31.823 0.147 0.000 0.657 456 V HN 0.884 nan 8.190 nan 0.000 0.455 457 D N -0.247 120.211 120.400 0.096 0.000 2.144 457 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 457 D C 1.954 178.307 176.300 0.088 0.000 0.984 457 D CA 1.111 55.162 54.000 0.085 0.000 0.834 457 D CB -0.338 40.491 40.800 0.048 0.000 0.955 457 D HN 0.432 nan 8.370 nan 0.000 0.465 458 D N 0.118 120.556 120.400 0.064 0.000 2.149 458 D HA -0.126 4.513 4.640 -0.000 0.000 0.198 458 D C 2.073 178.394 176.300 0.035 0.000 0.990 458 D CA 0.508 54.531 54.000 0.039 0.000 0.839 458 D CB 0.031 40.841 40.800 0.016 0.000 0.948 458 D HN 0.210 nan 8.370 nan 0.000 0.460 459 I N 1.042 121.652 120.570 0.066 0.000 2.286 459 I HA -0.151 4.018 4.170 -0.000 0.000 0.245 459 I C 2.186 178.465 176.117 0.270 0.000 1.104 459 I CA 0.869 62.215 61.300 0.075 0.000 1.397 459 I CB -0.794 37.222 38.000 0.027 0.000 1.072 459 I HN -0.020 nan 8.210 nan 0.000 0.417 460 K N 1.025 121.649 120.400 0.375 0.000 2.103 460 K HA -0.186 4.133 4.320 -0.000 0.000 0.207 460 K C 2.030 178.741 176.600 0.184 0.000 1.048 460 K CA 1.384 57.864 56.287 0.321 0.000 0.930 460 K CB -0.105 32.489 32.500 0.155 0.000 0.716 460 K HN 0.300 nan 8.250 nan 0.000 0.444 461 K N 0.255 120.740 120.400 0.143 0.000 2.217 461 K HA -0.050 4.270 4.320 -0.000 0.000 0.202 461 K C 1.680 178.389 176.600 0.181 0.000 1.051 461 K CA 1.424 57.789 56.287 0.130 0.000 0.952 461 K CB 0.179 32.735 32.500 0.093 0.000 0.736 461 K HN 0.136 nan 8.250 nan 0.000 0.453 462 S N -0.526 115.276 115.700 0.170 0.000 2.593 462 S HA 0.125 4.594 4.470 -0.000 0.000 0.236 462 S C 0.124 174.923 174.600 0.332 0.000 0.991 462 S CA -0.682 57.665 58.200 0.244 0.000 0.963 462 S CB 0.605 63.853 63.200 0.081 0.000 0.865 462 S HN -0.127 nan 8.310 nan 0.000 0.488 463 T N 1.064 115.687 114.554 0.114 0.000 2.848 463 T HA 0.593 4.943 4.350 -0.000 0.000 0.285 463 T C 0.823 175.233 174.700 -0.484 0.000 0.995 463 T CA -0.603 61.474 62.100 -0.039 0.000 0.970 463 T CB 1.621 70.597 68.868 0.181 0.000 0.976 463 T HN 0.236 nan 8.240 nan 0.000 0.441 464 G N 0.768 109.178 108.800 -0.650 0.000 3.181 464 G HA2 0.349 4.308 3.960 -0.000 0.000 0.219 464 G HA3 0.349 4.308 3.960 -0.000 0.000 0.219 464 G C 0.593 175.364 174.900 -0.215 0.000 1.182 464 G CA 0.039 44.782 45.100 -0.596 0.000 0.791 464 G HN 1.005 nan 8.290 nan 0.000 0.537 465 C N -1.050 118.159 119.300 -0.152 0.000 3.336 465 C HA 0.732 5.192 4.460 -0.000 0.000 0.339 465 C C -0.646 174.333 174.990 -0.017 0.000 1.468 465 C CA -1.037 57.927 59.018 -0.090 0.000 1.287 465 C CB 1.573 29.235 27.740 -0.130 0.000 1.682 465 C HN 0.293 nan 8.230 nan 0.000 0.451 466 D N 0.416 120.783 120.400 -0.054 0.000 2.387 466 D HA 0.712 5.352 4.640 -0.000 0.000 0.251 466 D C -0.495 175.812 176.300 0.013 0.000 1.141 466 D CA -0.019 53.917 54.000 -0.107 0.000 0.987 466 D CB 1.011 41.721 40.800 -0.149 0.000 1.116 466 D HN 0.954 nan 8.370 nan 0.000 0.491 467 F N -3.525 116.403 119.950 -0.036 0.000 2.678 467 F HA 0.673 5.200 4.527 -0.000 0.000 0.308 467 F C -1.094 174.732 175.800 0.043 0.000 1.118 467 F CA -1.540 56.459 58.000 -0.002 0.000 0.959 467 F CB 0.917 39.968 39.000 0.084 0.000 1.305 467 F HN 0.505 nan 8.300 nan 0.000 0.443 468 A N 1.286 124.248 122.820 0.237 0.000 2.322 468 A HA 0.728 5.048 4.320 -0.000 0.000 0.269 468 A C -0.916 176.851 177.584 0.305 0.000 1.094 468 A CA -0.674 51.463 52.037 0.167 0.000 0.807 468 A CB 0.913 19.982 19.000 0.115 0.000 1.047 468 A HN 0.836 nan 8.150 nan 0.000 0.487 469 V N 1.901 121.933 119.914 0.196 0.000 2.384 469 V HA 0.337 4.456 4.120 -0.000 0.000 0.287 469 V C 0.781 176.938 176.094 0.106 0.000 1.020 469 V CA -0.464 61.950 62.300 0.191 0.000 0.850 469 V CB 1.311 33.232 31.823 0.163 0.000 0.987 469 V HN 1.008 nan 8.190 nan 0.000 0.436 470 S N 6.969 122.721 115.700 0.086 0.000 2.558 470 S HA 0.130 4.600 4.470 -0.000 0.000 0.288 470 S C -0.616 174.006 174.600 0.037 0.000 1.318 470 S CA -0.582 57.650 58.200 0.053 0.000 1.056 470 S CB 0.838 64.059 63.200 0.034 0.000 0.853 470 S HN 0.732 nan 8.310 nan 0.000 0.505 471 P HA 0.007 nan 4.420 nan 0.000 0.223 471 P C -0.010 177.296 177.300 0.011 0.000 1.151 471 P CA 0.857 63.968 63.100 0.019 0.000 0.787 471 P CB 0.147 31.857 31.700 0.017 0.000 0.788 472 K N 0.272 120.678 120.400 0.010 0.000 2.814 472 K HA 0.220 4.540 4.320 -0.000 0.000 0.213 472 K C 0.349 176.947 176.600 -0.003 0.000 1.113 472 K CA -1.117 55.172 56.287 0.003 0.000 1.145 472 K CB -0.609 31.893 32.500 0.003 0.000 0.948 472 K HN 0.130 nan 8.250 nan 0.000 0.464 473 L N 2.311 123.533 121.223 -0.002 0.000 2.540 473 L HA 0.086 4.426 4.340 -0.000 0.000 0.276 473 L C 0.105 176.960 176.870 -0.025 0.000 1.212 473 L CA 0.395 55.227 54.840 -0.014 0.000 0.893 473 L CB 0.060 42.114 42.059 -0.007 0.000 1.138 473 L HN 0.303 nan 8.230 nan 0.000 0.491 474 I N 2.464 123.013 120.570 -0.034 0.000 2.892 474 I HA 0.672 4.842 4.170 -0.000 0.000 0.306 474 I C -2.529 173.556 176.117 -0.054 0.000 1.078 474 I CA -2.736 58.540 61.300 -0.040 0.000 1.032 474 I CB 1.757 39.738 38.000 -0.032 0.000 1.229 474 I HN 0.399 nan 8.210 nan 0.000 0.435 475 P HA 0.080 nan 4.420 nan 0.000 0.267 475 P C -0.397 176.875 177.300 -0.046 0.000 1.200 475 P CA -0.188 62.855 63.100 -0.095 0.000 0.772 475 P CB 0.447 32.060 31.700 -0.145 0.000 0.855 476 M N 2.795 122.399 119.600 0.006 0.000 2.284 476 M HA -0.051 4.429 4.480 -0.000 0.000 0.351 476 M C 0.202 176.556 176.300 0.091 0.000 1.443 476 M CA 0.674 56.027 55.300 0.088 0.000 1.031 476 M CB -0.011 32.733 32.600 0.239 0.000 1.893 476 M HN 0.351 nan 8.290 nan 0.000 0.456 477 Q N 3.337 123.165 119.800 0.046 0.000 2.382 477 Q HA 0.261 4.601 4.340 -0.000 0.000 0.229 477 Q C -0.913 175.114 176.000 0.046 0.000 1.006 477 Q CA -0.307 55.516 55.803 0.032 0.000 0.916 477 Q CB 0.907 29.648 28.738 0.005 0.000 1.235 477 Q HN 0.562 nan 8.270 nan 0.000 0.512 478 Q N 0.617 120.434 119.800 0.028 0.000 2.315 478 Q HA 0.298 4.638 4.340 -0.000 0.000 0.273 478 Q C -1.199 174.784 176.000 -0.028 0.000 1.053 478 Q CA -0.534 55.268 55.803 -0.003 0.000 0.817 478 Q CB 2.496 31.257 28.738 0.037 0.000 1.326 478 Q HN 0.513 nan 8.270 nan 0.000 0.423 479 V N 2.557 122.426 119.914 -0.076 0.000 2.999 479 V HA 0.192 4.311 4.120 -0.000 0.000 0.307 479 V C 0.371 176.456 176.094 -0.015 0.000 1.084 479 V CA 0.652 62.927 62.300 -0.041 0.000 1.155 479 V CB 1.073 32.866 31.823 -0.051 0.000 0.975 479 V HN 0.991 nan 8.190 nan 0.000 0.490 480 T N 0.000 114.576 114.554 0.036 0.000 3.816 480 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 480 T CA 0.000 62.132 62.100 0.054 0.000 1.349 480 T CB 0.000 68.893 68.868 0.042 0.000 0.612 480 T HN 0.000 nan 8.240 nan 0.000 0.658