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 2qve_1_B DATA FIRST_RESID 12 DATA SEQUENCE PVSVDGETLT VEAVRRVAEE RATVDVPAES IAKAQKSREI FEGIAEQNIP DATA SEQUENCE IYGVTTGYGE MIYMQVDKSK EVELQTNLVR SHSAGVGPLF AEDEARAIVA DATA SEQUENCE ARLNTLAKGH SAVRPIILER LAQYLNEGIT PAIPEIGSLG XXXDLAPLSH DATA SEQUENCE VASTLIGEGY VLRDGRPVET AQVLAERGIE PLELRFKEGL ALINGTSGMT DATA SEQUENCE GLGSLVVGRA LEQAQQAEIV TALLIEAVRG STSPFLAEGH DIARPHEGQI DATA SEQUENCE DTAANMRALM RGSGLTVEHA DLRRELQKDK EAGKDVQRSE IYLQKAYSLR DATA SEQUENCE AIPQVVGAVR DTLYHARHKL RIELNSANDN PLFFEGKEIF HGANFHGQPI DATA SEQUENCE AFAMDFVTIA LTQLGVLAER QINRVLNRHL SYGLPEFLVS GDPGLHSGFA DATA SEQUENCE GAQYPATALV AENRTIGPAS TQSVPSNGDN QDVVSMGLIS ARNARRVLSN DATA SEQUENCE NNKILAVEYL AAAQAVDISG RFDGLSPAAK ATYEAVRRLV PTLGVDRYMA DATA SEQUENCE DDIELVADAL SRGEFLRAIA RETDIQLR 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.303 177.300 0.005 0.000 1.155 12 P CA 0.000 63.103 63.100 0.005 0.000 0.800 12 P CB 0.000 31.703 31.700 0.005 0.000 0.726 13 V N 1.166 121.084 119.914 0.006 0.000 2.508 13 V HA 0.268 4.369 4.120 -0.031 0.000 0.281 13 V C 1.003 177.099 176.094 0.004 0.000 1.041 13 V CA 0.240 62.544 62.300 0.005 0.000 1.016 13 V CB 1.263 33.090 31.823 0.006 0.000 0.984 13 V HN 0.754 nan 8.190 nan 0.000 0.478 14 S N 5.018 120.721 115.700 0.004 0.000 2.439 14 S HA 0.335 4.786 4.470 -0.031 0.000 0.282 14 S C -0.353 174.248 174.600 0.002 0.000 1.170 14 S CA -0.597 57.605 58.200 0.003 0.000 1.054 14 S CB 0.592 63.794 63.200 0.003 0.000 0.956 14 S HN 0.499 nan 8.310 nan 0.000 0.490 15 V N 6.521 126.434 119.914 -0.001 0.000 2.247 15 V HA 0.258 4.359 4.120 -0.031 0.000 0.262 15 V C 0.147 176.238 176.094 -0.005 0.000 1.096 15 V CA -0.510 61.788 62.300 -0.003 0.000 0.895 15 V CB 0.668 32.488 31.823 -0.005 0.000 1.141 15 V HN 0.957 nan 8.190 nan 0.000 0.478 16 D N 2.091 122.489 120.400 -0.003 0.000 2.431 16 D HA 0.181 4.802 4.640 -0.031 0.000 0.213 16 D C 1.506 177.804 176.300 -0.003 0.000 1.130 16 D CA 0.375 54.372 54.000 -0.005 0.000 0.834 16 D CB 0.558 41.357 40.800 -0.001 0.000 0.985 16 D HN 0.590 nan 8.370 nan 0.000 0.504 17 G N 0.399 109.200 108.800 0.001 0.000 2.166 17 G HA2 -0.329 3.612 3.960 -0.031 0.000 0.260 17 G HA3 -0.329 3.612 3.960 -0.031 0.000 0.260 17 G C 0.808 175.720 174.900 0.021 0.000 0.986 17 G CA 0.813 45.919 45.100 0.010 0.000 0.683 17 G HN 0.406 nan 8.290 nan 0.000 0.527 18 E N -1.847 118.364 120.200 0.018 0.000 2.502 18 E HA 0.065 4.396 4.350 -0.031 0.000 0.206 18 E C 1.963 178.576 176.600 0.021 0.000 0.821 18 E CA 1.356 57.770 56.400 0.023 0.000 1.354 18 E CB 0.072 29.785 29.700 0.022 0.000 1.336 18 E HN 0.755 nan 8.360 nan 0.000 0.675 19 T N -0.845 113.719 114.554 0.016 0.000 3.145 19 T HA 0.301 4.632 4.350 -0.031 0.000 0.281 19 T C 0.462 175.171 174.700 0.015 0.000 1.003 19 T CA -0.387 61.722 62.100 0.017 0.000 0.901 19 T CB -0.029 68.847 68.868 0.014 0.000 1.112 19 T HN -0.147 nan 8.240 nan 0.000 0.535 20 L N 4.390 125.621 121.223 0.014 0.000 2.453 20 L HA 0.474 4.795 4.340 -0.031 0.000 0.272 20 L C 0.524 177.404 176.870 0.017 0.000 1.182 20 L CA 0.682 55.529 54.840 0.012 0.000 0.858 20 L CB 0.726 42.790 42.059 0.009 0.000 1.120 20 L HN 0.531 nan 8.230 nan 0.000 0.474 21 T N 0.895 115.459 114.554 0.017 0.000 2.950 21 T HA 0.420 4.751 4.350 -0.031 0.000 0.288 21 T C 1.148 175.861 174.700 0.021 0.000 1.035 21 T CA -0.617 61.496 62.100 0.022 0.000 1.028 21 T CB 1.260 70.141 68.868 0.022 0.000 1.109 21 T HN 0.263 nan 8.240 nan 0.000 0.514 22 V N 0.981 120.912 119.914 0.028 0.000 2.343 22 V HA -0.141 3.960 4.120 -0.031 0.000 0.247 22 V C 2.819 178.928 176.094 0.025 0.000 1.051 22 V CA 2.442 64.758 62.300 0.027 0.000 1.036 22 V CB -0.956 30.890 31.823 0.039 0.000 0.654 22 V HN 1.095 nan 8.190 nan 0.000 0.451 23 E N 0.424 120.641 120.200 0.028 0.000 2.058 23 E HA -0.262 4.070 4.350 -0.031 0.000 0.194 23 E C 2.188 178.799 176.600 0.018 0.000 0.997 23 E CA 1.621 58.036 56.400 0.025 0.000 0.801 23 E CB -0.282 29.433 29.700 0.025 0.000 0.746 23 E HN 0.562 nan 8.360 nan 0.000 0.450 24 A N 0.527 123.356 122.820 0.016 0.000 1.933 24 A HA -0.119 4.182 4.320 -0.031 0.000 0.218 24 A C 2.435 180.024 177.584 0.010 0.000 1.175 24 A CA 1.380 53.424 52.037 0.012 0.000 0.628 24 A CB -0.670 18.336 19.000 0.011 0.000 0.814 24 A HN 0.243 nan 8.150 nan 0.000 0.444 25 V N 0.126 120.045 119.914 0.009 0.000 2.332 25 V HA -0.310 3.791 4.120 -0.031 0.000 0.248 25 V C 2.679 178.775 176.094 0.005 0.000 1.055 25 V CA 2.392 64.695 62.300 0.004 0.000 1.038 25 V CB -0.792 31.032 31.823 0.001 0.000 0.651 25 V HN 0.549 nan 8.190 nan 0.000 0.450 26 R N -0.624 119.881 120.500 0.009 0.000 2.075 26 R HA -0.094 4.227 4.340 -0.031 0.000 0.232 26 R C 2.560 178.867 176.300 0.010 0.000 1.126 26 R CA 1.224 57.330 56.100 0.011 0.000 0.963 26 R CB -0.356 29.954 30.300 0.017 0.000 0.858 26 R HN 0.456 nan 8.270 nan 0.000 0.435 27 R N 0.285 120.791 120.500 0.011 0.000 2.083 27 R HA -0.131 4.190 4.340 -0.031 0.000 0.237 27 R C 2.300 178.605 176.300 0.008 0.000 1.137 27 R CA 1.647 57.752 56.100 0.009 0.000 0.951 27 R CB -0.516 29.790 30.300 0.009 0.000 0.851 27 R HN 0.098 nan 8.270 nan 0.000 0.434 28 V N 0.709 120.627 119.914 0.007 0.000 2.343 28 V HA -0.235 3.866 4.120 -0.031 0.000 0.247 28 V C 2.420 178.518 176.094 0.007 0.000 1.051 28 V CA 2.010 64.314 62.300 0.007 0.000 1.036 28 V CB -0.644 31.183 31.823 0.006 0.000 0.654 28 V HN 0.413 nan 8.190 nan 0.000 0.451 29 A N -0.365 122.458 122.820 0.005 0.000 1.855 29 A HA -0.144 4.157 4.320 -0.031 0.000 0.213 29 A C 2.173 179.761 177.584 0.008 0.000 1.195 29 A CA 1.587 53.626 52.037 0.004 0.000 0.610 29 A CB -0.319 18.679 19.000 -0.003 0.000 0.837 29 A HN 0.598 nan 8.150 nan 0.000 0.444 30 E N -0.465 119.740 120.200 0.009 0.000 2.102 30 E HA -0.048 4.283 4.350 -0.031 0.000 0.190 30 E C 1.413 178.018 176.600 0.008 0.000 0.971 30 E CA 0.960 57.366 56.400 0.010 0.000 0.821 30 E CB -0.011 29.696 29.700 0.012 0.000 0.777 30 E HN 0.673 nan 8.360 nan 0.000 0.460 31 E N 0.484 120.689 120.200 0.008 0.000 2.474 31 E HA 0.138 4.469 4.350 -0.031 0.000 0.195 31 E C -0.454 176.149 176.600 0.006 0.000 1.039 31 E CA -0.189 56.214 56.400 0.006 0.000 0.881 31 E CB 0.263 29.966 29.700 0.006 0.000 0.970 31 E HN 0.075 nan 8.360 nan 0.000 0.486 32 R N 0.042 120.547 120.500 0.007 0.000 3.416 32 R HA -0.190 4.132 4.340 -0.031 0.000 0.263 32 R C -0.242 176.063 176.300 0.008 0.000 1.053 32 R CA 0.265 56.369 56.100 0.008 0.000 0.705 32 R CB -2.228 28.076 30.300 0.007 0.000 1.124 32 R HN 0.160 nan 8.270 nan 0.000 0.444 33 A N 0.619 123.444 122.820 0.008 0.000 2.445 33 A HA 0.309 4.610 4.320 -0.031 0.000 0.242 33 A C 0.778 178.367 177.584 0.009 0.000 1.075 33 A CA 0.168 52.210 52.037 0.007 0.000 0.777 33 A CB 0.433 19.438 19.000 0.007 0.000 1.013 33 A HN 0.245 nan 8.150 nan 0.000 0.493 34 T N 1.299 115.858 114.554 0.008 0.000 2.926 34 T HA 0.372 4.703 4.350 -0.031 0.000 0.307 34 T C 0.126 174.831 174.700 0.009 0.000 1.059 34 T CA -0.020 62.085 62.100 0.010 0.000 1.122 34 T CB 0.661 69.534 68.868 0.008 0.000 0.972 34 T HN 0.428 nan 8.240 nan 0.000 0.545 35 V N 2.495 122.415 119.914 0.011 0.000 2.547 35 V HA 0.519 4.620 4.120 -0.031 0.000 0.299 35 V C -0.361 175.737 176.094 0.007 0.000 1.040 35 V CA -0.565 61.740 62.300 0.009 0.000 0.913 35 V CB 2.021 33.850 31.823 0.010 0.000 0.992 35 V HN 0.993 nan 8.190 nan 0.000 0.449 36 D N 2.695 123.097 120.400 0.004 0.000 2.855 36 D HA 0.442 5.063 4.640 -0.031 0.000 0.241 36 D C -1.138 175.161 176.300 -0.002 0.000 1.277 36 D CA -0.323 53.678 54.000 0.001 0.000 0.918 36 D CB 2.078 42.880 40.800 0.002 0.000 1.462 36 D HN 0.278 nan 8.370 nan 0.000 0.559 37 V N 6.000 125.911 119.914 -0.005 0.000 2.408 37 V HA 0.386 4.487 4.120 -0.031 0.000 0.267 37 V C -1.600 174.489 176.094 -0.008 0.000 1.047 37 V CA -1.160 61.135 62.300 -0.009 0.000 0.937 37 V CB 0.793 32.607 31.823 -0.015 0.000 0.999 37 V HN 0.561 nan 8.190 nan 0.000 0.472 38 P HA 0.097 nan 4.420 nan 0.000 0.269 38 P C 0.688 177.983 177.300 -0.008 0.000 1.209 38 P CA -0.031 63.066 63.100 -0.006 0.000 0.776 38 P CB 1.215 32.912 31.700 -0.005 0.000 0.876 39 A N 2.633 125.449 122.820 -0.006 0.000 1.948 39 A HA -0.242 4.060 4.320 -0.031 0.000 0.220 39 A C 2.236 179.815 177.584 -0.008 0.000 1.177 39 A CA 2.046 54.079 52.037 -0.007 0.000 0.636 39 A CB -1.311 17.686 19.000 -0.004 0.000 0.815 39 A HN 0.725 nan 8.150 nan 0.000 0.449 40 E N -0.306 119.890 120.200 -0.007 0.000 2.153 40 E HA -0.149 4.182 4.350 -0.031 0.000 0.194 40 E C 2.034 178.625 176.600 -0.015 0.000 0.988 40 E CA 1.319 57.714 56.400 -0.008 0.000 0.811 40 E CB -0.083 29.614 29.700 -0.004 0.000 0.746 40 E HN 0.572 nan 8.360 nan 0.000 0.466 41 S N 0.362 116.052 115.700 -0.018 0.000 2.371 41 S HA -0.061 4.390 4.470 -0.031 0.000 0.224 41 S C 1.854 176.435 174.600 -0.031 0.000 1.029 41 S CA 0.554 58.737 58.200 -0.028 0.000 0.978 41 S CB -0.039 63.146 63.200 -0.025 0.000 0.833 41 S HN 0.300 nan 8.310 nan 0.000 0.466 42 I N 2.089 122.644 120.570 -0.024 0.000 2.226 42 I HA -0.158 3.993 4.170 -0.031 0.000 0.245 42 I C 2.677 178.780 176.117 -0.024 0.000 1.100 42 I CA 1.249 62.535 61.300 -0.025 0.000 1.374 42 I CB -1.638 36.351 38.000 -0.018 0.000 1.057 42 I HN 0.224 nan 8.210 nan 0.000 0.413 43 A N 0.700 123.509 122.820 -0.018 0.000 1.902 43 A HA -0.250 4.051 4.320 -0.031 0.000 0.217 43 A C 2.470 180.044 177.584 -0.016 0.000 1.181 43 A CA 1.896 53.925 52.037 -0.013 0.000 0.623 43 A CB -0.555 18.442 19.000 -0.006 0.000 0.818 43 A HN 0.376 nan 8.150 nan 0.000 0.443 44 K N -0.333 120.052 120.400 -0.024 0.000 2.026 44 K HA -0.098 4.203 4.320 -0.031 0.000 0.208 44 K C 2.174 178.747 176.600 -0.044 0.000 1.048 44 K CA 1.293 57.561 56.287 -0.032 0.000 0.929 44 K CB -0.352 32.115 32.500 -0.055 0.000 0.713 44 K HN 0.353 nan 8.250 nan 0.000 0.439 45 A N 0.864 123.650 122.820 -0.056 0.000 1.902 45 A HA -0.242 4.059 4.320 -0.031 0.000 0.217 45 A C 2.093 179.642 177.584 -0.058 0.000 1.181 45 A CA 1.844 53.841 52.037 -0.067 0.000 0.623 45 A CB -0.714 18.248 19.000 -0.064 0.000 0.818 45 A HN 0.484 nan 8.150 nan 0.000 0.443 46 Q N 0.323 120.098 119.800 -0.040 0.000 2.030 46 Q HA -0.203 4.118 4.340 -0.031 0.000 0.204 46 Q C 2.062 178.044 176.000 -0.031 0.000 0.986 46 Q CA 2.538 58.322 55.803 -0.031 0.000 0.843 46 Q CB -0.356 28.370 28.738 -0.020 0.000 0.904 46 Q HN 0.666 nan 8.270 nan 0.000 0.420 47 K N -0.496 119.893 120.400 -0.019 0.000 2.026 47 K HA -0.153 4.148 4.320 -0.031 0.000 0.208 47 K C 2.101 178.682 176.600 -0.031 0.000 1.048 47 K CA 1.762 58.046 56.287 -0.004 0.000 0.929 47 K CB -0.335 32.180 32.500 0.026 0.000 0.713 47 K HN 0.405 nan 8.250 nan 0.000 0.439 48 S N 0.520 116.191 115.700 -0.048 0.000 2.399 48 S HA -0.178 4.273 4.470 -0.031 0.000 0.231 48 S C 2.010 176.400 174.600 -0.350 0.000 1.022 48 S CA 1.138 59.226 58.200 -0.186 0.000 0.983 48 S CB -0.335 62.833 63.200 -0.054 0.000 0.803 48 S HN 0.298 nan 8.310 nan 0.000 0.480 49 R N 1.789 122.187 120.500 -0.169 0.000 2.075 49 R HA 0.073 4.394 4.340 -0.031 0.000 0.232 49 R C 2.234 178.508 176.300 -0.045 0.000 1.126 49 R CA 1.994 58.039 56.100 -0.093 0.000 0.963 49 R CB -0.949 29.324 30.300 -0.046 0.000 0.858 49 R HN 0.673 nan 8.270 nan 0.000 0.435 50 E N -0.315 119.852 120.200 -0.056 0.000 2.072 50 E HA -0.117 4.214 4.350 -0.031 0.000 0.191 50 E C 1.878 178.444 176.600 -0.057 0.000 0.985 50 E CA 1.542 57.922 56.400 -0.032 0.000 0.801 50 E CB -0.088 29.601 29.700 -0.017 0.000 0.750 50 E HN 0.411 nan 8.360 nan 0.000 0.452 51 I N 0.188 120.694 120.570 -0.107 0.000 2.252 51 I HA -0.213 3.938 4.170 -0.031 0.000 0.245 51 I C 2.194 178.209 176.117 -0.171 0.000 1.102 51 I CA 0.736 61.977 61.300 -0.100 0.000 1.385 51 I CB -0.296 37.689 38.000 -0.026 0.000 1.064 51 I HN 0.187 nan 8.210 nan 0.000 0.414 52 F N 2.049 121.685 119.950 -0.525 0.000 2.134 52 F HA -0.218 4.291 4.527 -0.031 0.000 0.299 52 F C 2.400 178.070 175.800 -0.217 0.000 1.097 52 F CA 1.742 59.492 58.000 -0.417 0.000 1.264 52 F CB -0.279 38.433 39.000 -0.480 0.000 1.001 52 F HN 0.019 nan 8.300 nan 0.000 0.479 53 E N -0.231 119.900 120.200 -0.115 0.000 2.118 53 E HA -0.193 4.138 4.350 -0.031 0.000 0.195 53 E C 2.465 178.943 176.600 -0.203 0.000 0.992 53 E CA 1.063 57.391 56.400 -0.120 0.000 0.804 53 E CB -0.720 29.008 29.700 0.046 0.000 0.741 53 E HN 0.578 nan 8.360 nan 0.000 0.458 54 G N 0.747 109.456 108.800 -0.152 0.000 2.432 54 G HA2 -0.220 3.721 3.960 -0.031 0.000 0.219 54 G HA3 -0.220 3.721 3.960 -0.031 0.000 0.219 54 G C 1.531 176.322 174.900 -0.182 0.000 1.135 54 G CA 0.567 45.596 45.100 -0.120 0.000 0.767 54 G HN 0.140 nan 8.290 nan 0.000 0.550 55 I N 1.199 121.606 120.570 -0.272 0.000 2.193 55 I HA -0.080 4.071 4.170 -0.031 0.000 0.240 55 I C 3.279 179.135 176.117 -0.435 0.000 1.084 55 I CA 0.935 62.060 61.300 -0.291 0.000 1.365 55 I CB -0.303 37.536 38.000 -0.269 0.000 1.064 55 I HN 0.208 nan 8.210 nan 0.000 0.410 56 A N 0.449 122.813 122.820 -0.760 0.000 1.940 56 A HA -0.197 4.104 4.320 -0.031 0.000 0.219 56 A C 2.154 179.358 177.584 -0.633 0.000 1.176 56 A CA 1.469 52.944 52.037 -0.936 0.000 0.631 56 A CB -0.461 17.531 19.000 -1.680 0.000 0.814 56 A HN 0.347 nan 8.150 nan 0.000 0.446 57 E N 0.277 120.242 120.200 -0.392 0.000 2.267 57 E HA -0.176 4.155 4.350 -0.031 0.000 0.197 57 E C 1.507 178.045 176.600 -0.103 0.000 0.998 57 E CA 0.961 57.283 56.400 -0.131 0.000 0.830 57 E CB -0.298 29.372 29.700 -0.050 0.000 0.751 57 E HN 0.783 nan 8.360 nan 0.000 0.491 58 Q N 0.277 119.990 119.800 -0.145 0.000 2.322 58 Q HA 0.060 4.382 4.340 -0.031 0.000 0.203 58 Q C -0.084 175.862 176.000 -0.090 0.000 0.923 58 Q CA -0.272 55.475 55.803 -0.094 0.000 0.949 58 Q CB 0.177 28.864 28.738 -0.085 0.000 1.039 58 Q HN 0.105 nan 8.270 nan 0.000 0.496 59 N N 0.700 119.331 118.700 -0.116 0.000 2.714 59 N HA -0.164 4.557 4.740 -0.031 0.000 0.250 59 N C -0.646 174.810 175.510 -0.089 0.000 1.117 59 N CA 0.609 53.606 53.050 -0.089 0.000 0.719 59 N CB -0.666 37.797 38.487 -0.039 0.000 1.081 59 N HN 0.276 nan 8.380 nan 0.000 0.557 60 I N 1.165 121.663 120.570 -0.120 0.000 2.588 60 I HA 0.113 4.264 4.170 -0.031 0.000 0.283 60 I C -1.568 174.505 176.117 -0.073 0.000 1.119 60 I CA -1.836 59.412 61.300 -0.086 0.000 1.419 60 I CB 0.005 37.952 38.000 -0.088 0.000 1.394 60 I HN -0.138 nan 8.210 nan 0.000 0.562 61 P HA 0.208 nan 4.420 nan 0.000 0.261 61 P C -0.681 176.634 177.300 0.025 0.000 1.203 61 P CA 0.507 63.596 63.100 -0.017 0.000 0.767 61 P CB 0.226 31.915 31.700 -0.019 0.000 0.785 62 I N 3.631 124.243 120.570 0.070 0.000 2.548 62 I HA 0.182 4.333 4.170 -0.031 0.000 0.287 62 I C -0.323 175.937 176.117 0.239 0.000 1.103 62 I CA -1.285 60.154 61.300 0.232 0.000 1.049 62 I CB 1.548 39.657 38.000 0.182 0.000 1.232 62 I HN 0.237 nan 8.210 nan 0.000 0.429 63 Y N 5.985 126.480 120.300 0.325 0.000 2.916 63 Y HA 0.118 4.649 4.550 -0.032 0.000 0.344 63 Y C 1.410 177.321 175.900 0.019 0.000 1.282 63 Y CA 1.506 59.688 58.100 0.136 0.000 1.604 63 Y CB 0.227 38.793 38.460 0.176 0.000 1.207 63 Y HN 0.861 nan 8.280 nan 0.000 0.561 64 G N 3.176 111.371 108.800 -1.009 0.000 2.175 64 G HA2 -0.282 3.659 3.960 -0.031 0.000 0.265 64 G HA3 -0.282 3.659 3.960 -0.031 0.000 0.265 64 G C 0.448 175.170 174.900 -0.296 0.000 0.979 64 G CA 0.601 45.134 45.100 -0.946 0.000 0.663 64 G HN 0.783 nan 8.290 nan 0.000 0.533 65 V N -0.667 119.153 119.914 -0.156 0.000 3.058 65 V HA 0.251 4.352 4.120 -0.031 0.000 0.233 65 V C 1.846 177.947 176.094 0.011 0.000 1.255 65 V CA 2.127 64.456 62.300 0.047 0.000 1.267 65 V CB 0.804 32.710 31.823 0.137 0.000 1.049 65 V HN 0.885 nan 8.190 nan 0.000 0.486 66 T N -1.134 113.385 114.554 -0.059 0.000 3.393 66 T HA 0.376 4.708 4.350 -0.031 0.000 0.298 66 T C 0.134 174.783 174.700 -0.086 0.000 1.004 66 T CA 0.405 62.474 62.100 -0.052 0.000 0.956 66 T CB 0.096 68.931 68.868 -0.054 0.000 1.182 66 T HN 0.542 nan 8.240 nan 0.000 0.497 67 T N -2.227 112.221 114.554 -0.178 0.000 2.816 67 T HA 0.762 5.093 4.350 -0.031 0.000 0.299 67 T C 0.446 174.910 174.700 -0.394 0.000 1.230 67 T CA -0.371 61.612 62.100 -0.196 0.000 1.007 67 T CB 1.368 70.178 68.868 -0.096 0.000 1.289 67 T HN 0.294 nan 8.240 nan 0.000 0.508 68 G N -0.433 108.173 108.800 -0.323 0.000 2.653 68 G HA2 0.510 4.451 3.960 -0.031 0.000 0.265 68 G HA3 0.510 4.451 3.960 -0.031 0.000 0.265 68 G C -1.176 173.440 174.900 -0.473 0.000 1.237 68 G CA -0.676 44.199 45.100 -0.376 0.000 0.946 68 G HN 0.670 nan 8.290 nan 0.000 0.522 69 Y N -0.473 119.792 120.300 -0.059 0.000 2.376 69 Y HA 0.475 5.007 4.550 -0.030 0.000 0.325 69 Y C 1.370 177.347 175.900 0.128 0.000 1.199 69 Y CA 0.532 58.647 58.100 0.025 0.000 1.206 69 Y CB 1.455 39.877 38.460 -0.063 0.000 1.229 69 Y HN 1.103 nan 8.280 nan 0.000 0.480 70 G N 1.466 110.511 108.800 0.409 0.000 2.651 70 G HA2 -0.487 3.454 3.960 -0.031 0.000 0.315 70 G HA3 -0.487 3.454 3.960 -0.031 0.000 0.315 70 G C 1.162 176.142 174.900 0.133 0.000 1.258 70 G CA 1.022 46.245 45.100 0.204 0.000 1.002 70 G HN 0.723 nan 8.290 nan 0.000 0.551 71 E N 0.488 120.754 120.200 0.111 0.000 2.160 71 E HA 0.009 4.340 4.350 -0.031 0.000 0.195 71 E C 2.528 179.173 176.600 0.075 0.000 0.991 71 E CA 1.960 58.436 56.400 0.127 0.000 0.810 71 E CB -0.284 29.503 29.700 0.147 0.000 0.742 71 E HN 0.527 nan 8.360 nan 0.000 0.466 72 M N 0.346 119.893 119.600 -0.088 0.000 2.654 72 M HA 0.125 4.586 4.480 -0.031 0.000 0.217 72 M C 1.547 177.569 176.300 -0.463 0.000 1.183 72 M CA 0.079 55.065 55.300 -0.523 0.000 0.991 72 M CB -0.019 32.384 32.600 -0.330 0.000 1.749 72 M HN 0.181 nan 8.290 nan 0.000 0.475 73 I N 0.321 120.802 120.570 -0.148 0.000 2.700 73 I HA -0.277 3.874 4.170 -0.031 0.000 0.261 73 I C 1.908 178.006 176.117 -0.032 0.000 1.219 73 I CA 1.312 62.607 61.300 -0.007 0.000 1.463 73 I CB 0.044 38.126 38.000 0.137 0.000 1.092 73 I HN 0.446 nan 8.210 nan 0.000 0.452 74 Y N -0.830 119.492 120.300 0.038 0.000 2.571 74 Y HA 0.171 4.703 4.550 -0.031 0.000 0.294 74 Y C 0.973 176.880 175.900 0.011 0.000 1.141 74 Y CA -0.333 57.779 58.100 0.021 0.000 1.308 74 Y CB -0.700 37.772 38.460 0.019 0.000 1.002 74 Y HN -0.038 nan 8.280 nan 0.000 0.551 75 M N 2.891 122.340 119.600 -0.252 0.000 2.146 75 M HA 0.176 4.637 4.480 -0.031 0.000 0.352 75 M C -0.676 175.579 176.300 -0.075 0.000 1.343 75 M CA -0.200 55.027 55.300 -0.122 0.000 1.115 75 M CB 0.948 33.415 32.600 -0.221 0.000 1.657 75 M HN 0.255 nan 8.290 nan 0.000 0.471 76 Q N 3.241 123.031 119.800 -0.017 0.000 2.303 76 Q HA 0.483 4.805 4.340 -0.031 0.000 0.257 76 Q C -0.664 175.321 176.000 -0.025 0.000 0.941 76 Q CA -0.356 55.434 55.803 -0.021 0.000 0.931 76 Q CB 1.412 30.152 28.738 0.003 0.000 1.215 76 Q HN 0.439 nan 8.270 nan 0.000 0.437 77 V N 2.452 122.342 119.914 -0.040 0.000 2.435 77 V HA 0.150 4.252 4.120 -0.031 0.000 0.290 77 V C 0.179 176.273 176.094 0.000 0.000 1.030 77 V CA -0.881 61.405 62.300 -0.023 0.000 0.881 77 V CB 1.826 33.625 31.823 -0.039 0.000 0.983 77 V HN 0.688 nan 8.190 nan 0.000 0.445 78 D N 2.920 123.328 120.400 0.013 0.000 2.382 78 D HA 0.084 4.705 4.640 -0.031 0.000 0.240 78 D C 1.391 177.732 176.300 0.068 0.000 1.146 78 D CA -0.083 53.934 54.000 0.028 0.000 0.897 78 D CB 0.898 41.712 40.800 0.022 0.000 1.197 78 D HN 0.695 nan 8.370 nan 0.000 0.432 79 K N 0.276 120.737 120.400 0.102 0.000 2.442 79 K HA -0.103 4.199 4.320 -0.031 0.000 0.198 79 K C 1.363 178.053 176.600 0.150 0.000 1.042 79 K CA 1.041 57.472 56.287 0.240 0.000 0.958 79 K CB -0.109 32.567 32.500 0.293 0.000 0.766 79 K HN 0.300 nan 8.250 nan 0.000 0.474 80 S N 0.594 116.335 115.700 0.068 0.000 2.515 80 S HA 0.029 4.480 4.470 -0.031 0.000 0.231 80 S C 1.252 175.848 174.600 -0.006 0.000 0.987 80 S CA 0.246 58.458 58.200 0.019 0.000 0.936 80 S CB 0.048 63.256 63.200 0.013 0.000 0.766 80 S HN 0.181 nan 8.310 nan 0.000 0.528 81 K N 1.462 121.869 120.400 0.011 0.000 2.397 81 K HA 0.270 4.571 4.320 -0.031 0.000 0.202 81 K C 1.464 178.052 176.600 -0.020 0.000 1.022 81 K CA 0.090 56.374 56.287 -0.005 0.000 1.141 81 K CB -0.074 32.432 32.500 0.010 0.000 0.857 81 K HN 0.724 nan 8.250 nan 0.000 0.514 82 E N 1.080 121.242 120.200 -0.063 0.000 2.110 82 E HA -0.263 4.068 4.350 -0.031 0.000 0.225 82 E C 1.423 177.938 176.600 -0.143 0.000 1.063 82 E CA 2.476 58.766 56.400 -0.185 0.000 0.906 82 E CB -0.046 29.226 29.700 -0.712 0.000 0.795 82 E HN -0.030 nan 8.360 nan 0.000 0.479 83 V N 1.107 120.921 119.914 -0.167 0.000 2.343 83 V HA -0.242 3.860 4.120 -0.031 0.000 0.247 83 V C 2.547 178.606 176.094 -0.058 0.000 1.051 83 V CA 2.313 64.546 62.300 -0.112 0.000 1.036 83 V CB -0.745 31.012 31.823 -0.110 0.000 0.654 83 V HN 0.402 nan 8.190 nan 0.000 0.451 84 E N -0.202 119.972 120.200 -0.043 0.000 2.077 84 E HA -0.255 4.076 4.350 -0.031 0.000 0.193 84 E C 2.196 178.800 176.600 0.007 0.000 0.989 84 E CA 1.442 57.831 56.400 -0.019 0.000 0.800 84 E CB -0.098 29.594 29.700 -0.014 0.000 0.746 84 E HN 0.449 nan 8.360 nan 0.000 0.452 85 L N 1.262 122.501 121.223 0.028 0.000 1.989 85 L HA -0.250 4.071 4.340 -0.031 0.000 0.211 85 L C 2.316 179.255 176.870 0.114 0.000 1.071 85 L CA 1.819 56.713 54.840 0.090 0.000 0.749 85 L CB -0.454 41.660 42.059 0.093 0.000 0.890 85 L HN 0.115 nan 8.230 nan 0.000 0.431 86 Q N -0.906 118.935 119.800 0.068 0.000 2.124 86 Q HA -0.154 4.167 4.340 -0.031 0.000 0.202 86 Q C 2.142 178.108 176.000 -0.055 0.000 0.977 86 Q CA 2.119 57.931 55.803 0.016 0.000 0.850 86 Q CB -0.792 27.949 28.738 0.004 0.000 0.901 86 Q HN 0.579 nan 8.270 nan 0.000 0.429 87 T N 1.632 116.162 114.554 -0.040 0.000 2.812 87 T HA -0.038 4.294 4.350 -0.031 0.000 0.264 87 T C 1.558 176.227 174.700 -0.052 0.000 1.042 87 T CA 0.947 63.015 62.100 -0.053 0.000 1.140 87 T CB -0.103 68.740 68.868 -0.043 0.000 0.870 87 T HN 0.239 nan 8.240 nan 0.000 0.445 88 N N 1.513 120.197 118.700 -0.027 0.000 2.166 88 N HA -0.040 4.681 4.740 -0.031 0.000 0.186 88 N C 1.782 177.268 175.510 -0.040 0.000 1.019 88 N CA 0.606 53.649 53.050 -0.012 0.000 0.856 88 N CB -0.611 37.890 38.487 0.024 0.000 0.993 88 N HN 0.230 nan 8.380 nan 0.000 0.426 89 L N 1.118 122.262 121.223 -0.131 0.000 1.970 89 L HA -0.124 4.198 4.340 -0.031 0.000 0.212 89 L C 2.042 178.753 176.870 -0.265 0.000 1.071 89 L CA 1.474 56.094 54.840 -0.367 0.000 0.751 89 L CB -0.771 40.840 42.059 -0.747 0.000 0.889 89 L HN -0.094 nan 8.230 nan 0.000 0.432 90 V N 0.005 119.796 119.914 -0.204 0.000 2.332 90 V HA -0.298 3.803 4.120 -0.031 0.000 0.248 90 V C 2.730 178.772 176.094 -0.086 0.000 1.055 90 V CA 2.251 64.466 62.300 -0.142 0.000 1.038 90 V CB -0.768 30.984 31.823 -0.119 0.000 0.651 90 V HN 0.460 nan 8.190 nan 0.000 0.450 91 R N 0.910 121.371 120.500 -0.065 0.000 2.064 91 R HA -0.129 4.193 4.340 -0.031 0.000 0.228 91 R C 2.655 178.943 176.300 -0.021 0.000 1.144 91 R CA 1.789 57.858 56.100 -0.052 0.000 0.932 91 R CB -0.789 29.487 30.300 -0.039 0.000 0.833 91 R HN 0.667 nan 8.270 nan 0.000 0.429 92 S N 0.297 116.013 115.700 0.027 0.000 2.440 92 S HA -0.178 4.273 4.470 -0.031 0.000 0.240 92 S C 1.287 175.886 174.600 -0.001 0.000 1.014 92 S CA 1.451 59.674 58.200 0.038 0.000 0.980 92 S CB -0.355 62.898 63.200 0.087 0.000 0.775 92 S HN 0.411 nan 8.310 nan 0.000 0.499 93 H N 0.562 119.571 119.070 -0.101 0.000 2.551 93 H HA 0.437 4.974 4.556 -0.032 0.000 0.271 93 H C 0.304 175.584 175.328 -0.080 0.000 0.984 93 H CA -0.054 55.942 56.048 -0.086 0.000 1.164 93 H CB 0.220 29.913 29.762 -0.115 0.000 1.437 93 H HN 0.291 nan 8.280 nan 0.000 0.550 94 S N 1.167 116.829 115.700 -0.064 0.000 4.139 94 S HA 0.355 4.806 4.470 -0.031 0.000 0.215 94 S C 0.778 175.337 174.600 -0.068 0.000 1.390 94 S CA 0.085 58.102 58.200 -0.304 0.000 0.885 94 S CB -0.303 62.587 63.200 -0.517 0.000 1.560 94 S HN 0.470 nan 8.310 nan 0.000 0.449 95 A N 1.690 124.588 122.820 0.129 0.000 2.749 95 A HA 0.588 4.889 4.320 -0.031 0.000 0.299 95 A C 0.924 178.621 177.584 0.188 0.000 1.105 95 A CA -0.511 51.607 52.037 0.134 0.000 0.987 95 A CB -0.048 18.963 19.000 0.018 0.000 1.180 95 A HN 0.611 nan 8.150 nan 0.000 0.528 96 G N -0.075 108.959 108.800 0.389 0.000 2.527 96 G HA2 0.511 4.453 3.960 -0.031 0.000 0.248 96 G HA3 0.511 4.453 3.960 -0.031 0.000 0.248 96 G C 0.066 174.942 174.900 -0.039 0.000 1.231 96 G CA 0.518 45.649 45.100 0.051 0.000 0.838 96 G HN 1.266 nan 8.290 nan 0.000 0.570 97 V N -1.014 118.854 119.914 -0.076 0.000 3.182 97 V HA 1.023 5.124 4.120 -0.031 0.000 0.308 97 V C 0.654 176.678 176.094 -0.116 0.000 1.240 97 V CA 0.127 62.380 62.300 -0.079 0.000 1.063 97 V CB 1.107 32.903 31.823 -0.044 0.000 1.076 97 V HN 2.556 nan 8.190 nan 0.000 0.446 98 G N 0.942 109.677 108.800 -0.109 0.000 2.698 98 G HA2 0.016 3.957 3.960 -0.031 0.000 0.225 98 G HA3 0.016 3.957 3.960 -0.031 0.000 0.225 98 G C -2.539 172.267 174.900 -0.157 0.000 1.345 98 G CA -0.226 44.799 45.100 -0.126 0.000 0.871 98 G HN 1.198 nan 8.290 nan 0.000 0.540 99 P HA 0.454 nan 4.420 nan 0.000 0.270 99 P C 0.114 177.267 177.300 -0.245 0.000 1.223 99 P CA -0.198 62.794 63.100 -0.178 0.000 0.785 99 P CB 0.499 32.102 31.700 -0.163 0.000 0.923 100 L N 1.112 122.224 121.223 -0.184 0.000 2.357 100 L HA 0.351 4.672 4.340 -0.031 0.000 0.273 100 L C 0.977 177.770 176.870 -0.129 0.000 1.080 100 L CA -0.883 53.866 54.840 -0.152 0.000 0.803 100 L CB 0.019 42.039 42.059 -0.066 0.000 1.174 100 L HN 0.264 nan 8.230 nan 0.000 0.443 101 F N 0.924 120.853 119.950 -0.035 0.000 2.496 101 F HA 0.258 4.784 4.527 -0.002 0.000 0.344 101 F C 1.075 176.869 175.800 -0.011 0.000 1.155 101 F CA -0.040 57.949 58.000 -0.018 0.000 1.302 101 F CB 0.683 39.677 39.000 -0.011 0.000 1.159 101 F HN 0.549 nan 8.300 nan 0.000 0.595 102 A N 1.948 124.900 122.820 0.221 0.000 2.310 102 A HA 0.109 4.410 4.320 -0.031 0.000 0.260 102 A C 1.509 179.154 177.584 0.102 0.000 1.112 102 A CA -0.187 51.920 52.037 0.117 0.000 0.804 102 A CB 0.117 19.171 19.000 0.089 0.000 1.081 102 A HN 0.935 nan 8.150 nan 0.000 0.499 103 E N -0.210 120.028 120.200 0.063 0.000 2.038 103 E HA -0.281 4.050 4.350 -0.031 0.000 0.195 103 E C 1.333 177.954 176.600 0.036 0.000 1.000 103 E CA 1.882 58.310 56.400 0.046 0.000 0.803 103 E CB -0.169 29.549 29.700 0.031 0.000 0.750 103 E HN 0.819 nan 8.360 nan 0.000 0.448 104 D N 0.215 120.634 120.400 0.033 0.000 2.178 104 D HA -0.216 4.405 4.640 -0.031 0.000 0.201 104 D C 1.501 177.802 176.300 0.003 0.000 0.980 104 D CA 1.336 55.347 54.000 0.019 0.000 0.842 104 D CB -0.577 40.236 40.800 0.021 0.000 0.948 104 D HN 0.398 nan 8.370 nan 0.000 0.472 105 E N 0.590 120.798 120.200 0.014 0.000 2.072 105 E HA -0.008 4.323 4.350 -0.031 0.000 0.190 105 E C 2.281 178.792 176.600 -0.148 0.000 0.982 105 E CA 1.067 57.433 56.400 -0.057 0.000 0.803 105 E CB -0.161 29.558 29.700 0.032 0.000 0.755 105 E HN 0.402 nan 8.360 nan 0.000 0.453 106 A N 1.499 124.286 122.820 -0.056 0.000 1.930 106 A HA -0.164 4.137 4.320 -0.031 0.000 0.217 106 A C 2.056 179.618 177.584 -0.037 0.000 1.175 106 A CA 1.148 53.154 52.037 -0.050 0.000 0.627 106 A CB -0.308 18.721 19.000 0.048 0.000 0.815 106 A HN 0.057 nan 8.150 nan 0.000 0.443 107 R N -0.573 119.917 120.500 -0.015 0.000 2.092 107 R HA -0.016 4.306 4.340 -0.031 0.000 0.231 107 R C 2.450 178.736 176.300 -0.024 0.000 1.119 107 R CA 1.085 57.184 56.100 -0.003 0.000 0.970 107 R CB -0.402 29.902 30.300 0.007 0.000 0.864 107 R HN 0.500 nan 8.270 nan 0.000 0.440 108 A N 1.181 123.972 122.820 -0.047 0.000 1.930 108 A HA -0.122 4.180 4.320 -0.031 0.000 0.217 108 A C 2.111 179.651 177.584 -0.073 0.000 1.175 108 A CA 1.127 53.132 52.037 -0.054 0.000 0.627 108 A CB -0.409 18.553 19.000 -0.064 0.000 0.815 108 A HN 0.166 nan 8.150 nan 0.000 0.443 109 I N -0.493 120.008 120.570 -0.114 0.000 2.202 109 I HA -0.200 3.951 4.170 -0.031 0.000 0.242 109 I C 2.325 178.405 176.117 -0.061 0.000 1.091 109 I CA 1.119 62.348 61.300 -0.119 0.000 1.368 109 I CB -0.357 37.530 38.000 -0.188 0.000 1.058 109 I HN 0.144 nan 8.210 nan 0.000 0.410 110 V N 1.144 121.035 119.914 -0.037 0.000 2.343 110 V HA -0.299 3.802 4.120 -0.031 0.000 0.247 110 V C 2.727 178.811 176.094 -0.015 0.000 1.051 110 V CA 1.968 64.261 62.300 -0.012 0.000 1.036 110 V CB -1.077 30.759 31.823 0.022 0.000 0.654 110 V HN 0.493 nan 8.190 nan 0.000 0.451 111 A N 0.154 122.964 122.820 -0.015 0.000 1.877 111 A HA -0.141 4.160 4.320 -0.031 0.000 0.216 111 A C 2.452 180.026 177.584 -0.017 0.000 1.186 111 A CA 2.196 54.226 52.037 -0.012 0.000 0.620 111 A CB -0.883 18.111 19.000 -0.010 0.000 0.822 111 A HN 0.577 nan 8.150 nan 0.000 0.443 112 A N -0.603 122.202 122.820 -0.024 0.000 1.933 112 A HA -0.162 4.140 4.320 -0.031 0.000 0.218 112 A C 2.197 179.770 177.584 -0.017 0.000 1.175 112 A CA 2.143 54.167 52.037 -0.021 0.000 0.628 112 A CB -0.422 18.561 19.000 -0.029 0.000 0.814 112 A HN 0.449 nan 8.150 nan 0.000 0.444 113 R N -0.646 119.840 120.500 -0.022 0.000 2.075 113 R HA -0.064 4.257 4.340 -0.031 0.000 0.232 113 R C 1.941 178.227 176.300 -0.024 0.000 1.126 113 R CA 1.491 57.579 56.100 -0.021 0.000 0.963 113 R CB -0.794 29.490 30.300 -0.026 0.000 0.858 113 R HN 0.448 nan 8.270 nan 0.000 0.435 114 L N 1.074 122.281 121.223 -0.026 0.000 2.042 114 L HA -0.145 4.176 4.340 -0.031 0.000 0.210 114 L C 1.788 178.645 176.870 -0.022 0.000 1.076 114 L CA 2.007 56.829 54.840 -0.029 0.000 0.749 114 L CB -0.937 41.107 42.059 -0.025 0.000 0.893 114 L HN 0.371 nan 8.230 nan 0.000 0.432 115 N N -1.583 117.109 118.700 -0.014 0.000 2.188 115 N HA -0.173 4.548 4.740 -0.031 0.000 0.184 115 N C 1.490 176.998 175.510 -0.005 0.000 1.018 115 N CA 1.669 54.714 53.050 -0.008 0.000 0.858 115 N CB 0.138 38.623 38.487 -0.004 0.000 0.989 115 N HN 0.459 nan 8.380 nan 0.000 0.426 116 T N 1.827 116.379 114.554 -0.004 0.000 2.708 116 T HA -0.056 4.275 4.350 -0.031 0.000 0.266 116 T C 2.028 176.727 174.700 -0.001 0.000 1.037 116 T CA 0.850 62.953 62.100 0.006 0.000 1.146 116 T CB -0.179 68.694 68.868 0.008 0.000 0.865 116 T HN 0.190 nan 8.240 nan 0.000 0.435 117 L N 0.823 122.036 121.223 -0.018 0.000 2.141 117 L HA 0.013 4.334 4.340 -0.031 0.000 0.209 117 L C 2.941 179.785 176.870 -0.043 0.000 1.094 117 L CA 0.927 55.746 54.840 -0.035 0.000 0.763 117 L CB -0.656 41.375 42.059 -0.046 0.000 0.908 117 L HN 0.224 nan 8.230 nan 0.000 0.437 118 A N -0.110 122.689 122.820 -0.035 0.000 2.121 118 A HA -0.193 4.108 4.320 -0.031 0.000 0.218 118 A C 2.330 179.887 177.584 -0.046 0.000 1.154 118 A CA 1.189 53.203 52.037 -0.039 0.000 0.679 118 A CB -0.391 18.593 19.000 -0.026 0.000 0.795 118 A HN 0.305 nan 8.150 nan 0.000 0.458 119 K N -0.944 119.436 120.400 -0.033 0.000 2.362 119 K HA 0.004 4.305 4.320 -0.031 0.000 0.200 119 K C 1.117 177.617 176.600 -0.165 0.000 1.046 119 K CA 0.836 57.102 56.287 -0.034 0.000 0.952 119 K CB -0.323 32.212 32.500 0.059 0.000 0.753 119 K HN 0.711 nan 8.250 nan 0.000 0.466 120 G N 0.309 109.009 108.800 -0.167 0.000 2.136 120 G HA2 -0.257 3.684 3.960 -0.031 0.000 0.242 120 G HA3 -0.257 3.684 3.960 -0.031 0.000 0.242 120 G C 0.070 174.764 174.900 -0.343 0.000 0.989 120 G CA 0.644 45.598 45.100 -0.243 0.000 0.682 120 G HN 0.607 nan 8.290 nan 0.000 0.522 121 H N -0.553 118.463 119.070 -0.091 0.000 2.755 121 H HA 0.374 4.911 4.556 -0.032 0.000 0.273 121 H C 2.148 177.367 175.328 -0.181 0.000 1.055 121 H CA 0.708 56.643 56.048 -0.188 0.000 1.191 121 H CB 0.874 30.426 29.762 -0.351 0.000 1.536 121 H HN 0.332 nan 8.280 nan 0.000 0.529 122 S N 0.368 116.029 115.700 -0.065 0.000 2.548 122 S HA 0.214 4.666 4.470 -0.031 0.000 0.215 122 S C 1.429 175.882 174.600 -0.245 0.000 0.976 122 S CA 0.521 58.648 58.200 -0.120 0.000 0.908 122 S CB 0.290 63.441 63.200 -0.082 0.000 0.781 122 S HN 0.600 nan 8.310 nan 0.000 0.519 123 A N 0.714 123.377 122.820 -0.262 0.000 2.822 123 A HA -0.145 4.156 4.320 -0.031 0.000 0.287 123 A C 0.331 177.744 177.584 -0.285 0.000 1.479 123 A CA 0.346 52.140 52.037 -0.404 0.000 0.779 123 A CB -2.289 16.136 19.000 -0.958 0.000 1.022 123 A HN 0.299 nan 8.150 nan 0.000 0.532 124 V N 0.524 120.335 119.914 -0.172 0.000 2.644 124 V HA 0.350 4.451 4.120 -0.031 0.000 0.295 124 V C 1.294 177.344 176.094 -0.072 0.000 1.053 124 V CA -0.625 61.612 62.300 -0.105 0.000 0.987 124 V CB 1.500 33.268 31.823 -0.092 0.000 1.006 124 V HN 0.632 nan 8.190 nan 0.000 0.472 125 R N 4.343 124.816 120.500 -0.044 0.000 2.590 125 R HA 0.120 4.442 4.340 -0.031 0.000 0.274 125 R C -1.660 174.613 176.300 -0.044 0.000 1.061 125 R CA -1.120 54.960 56.100 -0.034 0.000 1.081 125 R CB 0.260 30.546 30.300 -0.022 0.000 0.984 125 R HN 0.472 nan 8.270 nan 0.000 0.448 126 P HA -0.208 nan 4.420 nan 0.000 0.217 126 P C 1.135 178.410 177.300 -0.041 0.000 1.148 126 P CA 1.138 64.215 63.100 -0.039 0.000 0.828 126 P CB 0.061 31.743 31.700 -0.031 0.000 0.783 127 I N -1.060 119.487 120.570 -0.039 0.000 2.264 127 I HA -0.249 3.902 4.170 -0.031 0.000 0.248 127 I C 1.875 177.955 176.117 -0.061 0.000 1.111 127 I CA 1.486 62.761 61.300 -0.042 0.000 1.382 127 I CB -0.178 37.799 38.000 -0.038 0.000 1.060 127 I HN -0.127 nan 8.210 nan 0.000 0.418 128 I N 0.489 121.018 120.570 -0.068 0.000 2.226 128 I HA -0.329 3.822 4.170 -0.031 0.000 0.245 128 I C 2.375 178.436 176.117 -0.094 0.000 1.100 128 I CA 1.340 62.585 61.300 -0.091 0.000 1.374 128 I CB -0.313 37.637 38.000 -0.083 0.000 1.057 128 I HN 0.290 nan 8.210 nan 0.000 0.413 129 L N 0.247 121.427 121.223 -0.071 0.000 2.046 129 L HA -0.208 4.113 4.340 -0.031 0.000 0.208 129 L C 2.449 179.285 176.870 -0.056 0.000 1.077 129 L CA 1.531 56.335 54.840 -0.061 0.000 0.747 129 L CB -0.665 41.365 42.059 -0.048 0.000 0.896 129 L HN 0.246 nan 8.230 nan 0.000 0.432 130 E N -0.300 119.871 120.200 -0.049 0.000 2.110 130 E HA -0.244 4.087 4.350 -0.031 0.000 0.193 130 E C 2.253 178.829 176.600 -0.041 0.000 0.988 130 E CA 0.870 57.249 56.400 -0.034 0.000 0.804 130 E CB -0.014 29.671 29.700 -0.026 0.000 0.745 130 E HN 0.171 nan 8.360 nan 0.000 0.458 131 R N 1.014 121.463 120.500 -0.084 0.000 2.062 131 R HA -0.039 4.282 4.340 -0.031 0.000 0.229 131 R C 2.087 178.253 176.300 -0.223 0.000 1.128 131 R CA 1.133 57.148 56.100 -0.141 0.000 0.960 131 R CB -0.583 29.586 30.300 -0.218 0.000 0.855 131 R HN 0.152 nan 8.270 nan 0.000 0.432 132 L N -0.182 120.910 121.223 -0.218 0.000 2.042 132 L HA -0.129 4.192 4.340 -0.031 0.000 0.210 132 L C 2.439 179.291 176.870 -0.030 0.000 1.076 132 L CA 1.506 56.242 54.840 -0.173 0.000 0.749 132 L CB -0.654 41.333 42.059 -0.120 0.000 0.893 132 L HN 0.277 nan 8.230 nan 0.000 0.432 133 A N -0.711 122.097 122.820 -0.020 0.000 1.933 133 A HA -0.281 4.020 4.320 -0.031 0.000 0.218 133 A C 2.278 179.896 177.584 0.055 0.000 1.175 133 A CA 1.837 53.883 52.037 0.015 0.000 0.628 133 A CB -0.535 18.466 19.000 0.002 0.000 0.814 133 A HN 0.498 nan 8.150 nan 0.000 0.444 134 Q N -1.998 117.848 119.800 0.076 0.000 2.119 134 Q HA -0.183 4.138 4.340 -0.031 0.000 0.201 134 Q C 1.780 177.913 176.000 0.221 0.000 0.972 134 Q CA 1.421 57.300 55.803 0.127 0.000 0.847 134 Q CB -0.204 28.614 28.738 0.134 0.000 0.903 134 Q HN 0.715 nan 8.270 nan 0.000 0.433 135 Y N 0.569 120.867 120.300 -0.004 0.000 2.181 135 Y HA -0.206 4.324 4.550 -0.033 0.000 0.288 135 Y C 2.027 177.927 175.900 0.000 0.000 1.146 135 Y CA 0.907 59.006 58.100 -0.001 0.000 1.164 135 Y CB -0.407 38.053 38.460 -0.000 0.000 0.982 135 Y HN 0.133 nan 8.280 nan 0.000 0.515 136 L N -0.460 120.863 121.223 0.167 0.000 2.005 136 L HA -0.245 4.076 4.340 -0.031 0.000 0.207 136 L C 1.853 178.755 176.870 0.053 0.000 1.072 136 L CA 1.712 56.603 54.840 0.085 0.000 0.744 136 L CB -0.600 41.494 42.059 0.059 0.000 0.895 136 L HN 0.227 nan 8.230 nan 0.000 0.433 137 N N -0.684 118.048 118.700 0.053 0.000 2.381 137 N HA -0.151 4.570 4.740 -0.031 0.000 0.182 137 N C 1.136 176.661 175.510 0.024 0.000 1.025 137 N CA 0.622 53.692 53.050 0.033 0.000 0.888 137 N CB 0.167 38.673 38.487 0.031 0.000 0.965 137 N HN 0.372 nan 8.380 nan 0.000 0.438 138 E N -0.590 119.626 120.200 0.027 0.000 2.498 138 E HA 0.138 4.469 4.350 -0.031 0.000 0.203 138 E C 0.484 177.071 176.600 -0.021 0.000 1.013 138 E CA -0.197 56.204 56.400 0.001 0.000 0.927 138 E CB 0.803 30.502 29.700 -0.001 0.000 1.012 138 E HN 0.326 nan 8.360 nan 0.000 0.482 139 G N 2.024 110.817 108.800 -0.012 0.000 2.160 139 G HA2 -0.275 3.667 3.960 -0.031 0.000 0.244 139 G HA3 -0.275 3.667 3.960 -0.031 0.000 0.244 139 G C 0.112 174.976 174.900 -0.060 0.000 1.022 139 G CA -0.135 44.951 45.100 -0.023 0.000 0.741 139 G HN 0.241 nan 8.290 nan 0.000 0.508 140 I N 2.054 122.556 120.570 -0.113 0.000 2.291 140 I HA 0.257 4.409 4.170 -0.031 0.000 0.292 140 I C 0.284 176.337 176.117 -0.107 0.000 1.064 140 I CA -0.042 61.116 61.300 -0.237 0.000 1.269 140 I CB 0.960 38.552 38.000 -0.679 0.000 1.418 140 I HN 0.022 nan 8.210 nan 0.000 0.485 141 T N 7.553 122.081 114.554 -0.043 0.000 2.756 141 T HA 0.315 4.646 4.350 -0.031 0.000 0.290 141 T C -2.384 172.352 174.700 0.059 0.000 0.985 141 T CA -1.488 60.628 62.100 0.028 0.000 0.955 141 T CB 1.230 70.115 68.868 0.029 0.000 0.930 141 T HN 0.218 nan 8.240 nan 0.000 0.451 142 P HA 0.230 nan 4.420 nan 0.000 0.266 142 P C -0.885 176.495 177.300 0.134 0.000 1.195 142 P CA -0.323 62.861 63.100 0.141 0.000 0.768 142 P CB 0.399 32.196 31.700 0.162 0.000 0.838 143 A N 4.402 127.316 122.820 0.158 0.000 2.343 143 A HA 0.424 4.725 4.320 -0.031 0.000 0.305 143 A C -0.096 177.565 177.584 0.128 0.000 1.308 143 A CA -0.338 51.775 52.037 0.128 0.000 0.949 143 A CB -0.712 18.367 19.000 0.131 0.000 1.148 143 A HN 0.463 nan 8.150 nan 0.000 0.545 144 I N 4.693 125.339 120.570 0.126 0.000 2.355 144 I HA 0.282 4.434 4.170 -0.031 0.000 0.288 144 I C -2.441 173.697 176.117 0.036 0.000 0.999 144 I CA -2.268 59.110 61.300 0.130 0.000 1.163 144 I CB 2.221 40.399 38.000 0.297 0.000 1.316 144 I HN 0.374 nan 8.210 nan 0.000 0.454 145 P HA 0.096 nan 4.420 nan 0.000 0.271 145 P C 0.204 177.349 177.300 -0.257 0.000 1.216 145 P CA -0.093 62.842 63.100 -0.274 0.000 0.771 145 P CB 0.713 32.191 31.700 -0.371 0.000 0.864 146 E N 1.544 121.443 120.200 -0.500 0.000 2.274 146 E HA -0.031 4.300 4.350 -0.031 0.000 0.194 146 E C 0.409 176.870 176.600 -0.231 0.000 0.996 146 E CA 0.702 56.668 56.400 -0.724 0.000 0.840 146 E CB 0.024 29.203 29.700 -0.869 0.000 0.772 146 E HN 0.458 nan 8.360 nan 0.000 0.491 147 I N -0.657 119.819 120.570 -0.156 0.000 2.441 147 I HA 0.337 4.489 4.170 -0.031 0.000 0.295 147 I C 0.833 176.934 176.117 -0.027 0.000 0.994 147 I CA -0.210 61.048 61.300 -0.069 0.000 1.144 147 I CB 2.064 40.020 38.000 -0.074 0.000 1.314 147 I HN 0.059 nan 8.210 nan 0.000 0.445 148 G N 3.215 112.018 108.800 0.005 0.000 3.611 148 G HA2 -0.175 3.766 3.960 -0.031 0.000 0.217 148 G HA3 -0.175 3.766 3.960 -0.031 0.000 0.217 148 G C 0.288 175.207 174.900 0.031 0.000 1.023 148 G CA -0.051 45.062 45.100 0.022 0.000 0.887 148 G HN 0.564 nan 8.290 nan 0.000 0.420 149 S N 0.733 116.460 115.700 0.045 0.000 2.549 149 S HA 0.443 4.894 4.470 -0.031 0.000 0.286 149 S C 1.328 175.938 174.600 0.017 0.000 1.314 149 S CA -0.168 58.055 58.200 0.039 0.000 1.062 149 S CB 0.501 63.734 63.200 0.056 0.000 0.865 149 S HN 0.334 nan 8.310 nan 0.000 0.498 150 L N 4.603 125.826 121.223 0.001 0.000 2.640 150 L HA 0.324 4.645 4.340 -0.031 0.000 0.230 150 L C 1.432 178.274 176.870 -0.045 0.000 1.123 150 L CA 0.201 55.031 54.840 -0.016 0.000 0.900 150 L CB -0.989 41.060 42.059 -0.018 0.000 1.146 150 L HN 1.052 nan 8.230 nan 0.000 0.484 156 L N 0.542 121.783 121.223 0.032 0.000 1.970 156 L HA -0.198 4.123 4.340 -0.031 0.000 0.212 156 L C 2.697 179.622 176.870 0.091 0.000 1.071 156 L CA 2.207 57.074 54.840 0.044 0.000 0.751 156 L CB -0.430 41.673 42.059 0.073 0.000 0.889 156 L HN 0.229 nan 8.230 nan 0.000 0.432 157 A N 0.521 123.411 122.820 0.115 0.000 1.851 157 A HA -0.155 4.146 4.320 -0.031 0.000 0.216 157 A C 0.110 177.858 177.584 0.275 0.000 1.195 157 A CA 2.227 54.371 52.037 0.178 0.000 0.622 157 A CB -2.047 17.041 19.000 0.146 0.000 0.831 157 A HN 0.351 nan 8.150 nan 0.000 0.444 158 P HA -0.128 nan 4.420 nan 0.000 0.217 158 P C 1.500 178.911 177.300 0.185 0.000 1.150 158 P CA 1.062 64.287 63.100 0.209 0.000 0.832 158 P CB -0.214 31.603 31.700 0.196 0.000 0.787 159 L N -0.716 120.575 121.223 0.114 0.000 2.291 159 L HA -0.047 4.274 4.340 -0.031 0.000 0.214 159 L C 2.570 179.474 176.870 0.056 0.000 1.120 159 L CA 1.019 55.898 54.840 0.064 0.000 0.799 159 L CB -0.805 41.267 42.059 0.023 0.000 0.925 159 L HN -0.013 nan 8.230 nan 0.000 0.446 160 S N -1.277 114.465 115.700 0.070 0.000 2.406 160 S HA -0.147 4.304 4.470 -0.031 0.000 0.228 160 S C 1.763 176.348 174.600 -0.025 0.000 1.020 160 S CA 0.827 59.026 58.200 -0.002 0.000 0.965 160 S CB -0.208 62.987 63.200 -0.007 0.000 0.798 160 S HN 0.488 nan 8.310 nan 0.000 0.488 161 H N 0.235 119.337 119.070 0.054 0.000 2.457 161 H HA 0.072 4.614 4.556 -0.024 0.000 0.294 161 H C 1.964 177.337 175.328 0.074 0.000 1.064 161 H CA 1.170 57.264 56.048 0.077 0.000 1.330 161 H CB -0.085 29.738 29.762 0.102 0.000 1.395 161 H HN 0.144 nan 8.280 nan 0.000 0.541 162 V N 0.227 120.237 119.914 0.161 0.000 2.323 162 V HA -0.188 3.914 4.120 -0.031 0.000 0.244 162 V C 2.550 178.675 176.094 0.053 0.000 1.041 162 V CA 1.461 63.827 62.300 0.110 0.000 1.025 162 V CB -0.922 30.944 31.823 0.071 0.000 0.656 162 V HN 0.556 nan 8.190 nan 0.000 0.451 163 A N -0.312 122.513 122.820 0.009 0.000 1.917 163 A HA -0.256 4.045 4.320 -0.031 0.000 0.219 163 A C 2.489 180.054 177.584 -0.031 0.000 1.182 163 A CA 2.396 54.411 52.037 -0.036 0.000 0.633 163 A CB -0.816 18.147 19.000 -0.060 0.000 0.819 163 A HN 0.492 nan 8.150 nan 0.000 0.448 164 S N -0.438 115.248 115.700 -0.023 0.000 2.374 164 S HA -0.196 4.256 4.470 -0.031 0.000 0.227 164 S C 2.246 176.853 174.600 0.012 0.000 1.037 164 S CA 2.136 60.319 58.200 -0.029 0.000 1.024 164 S CB -0.742 62.426 63.200 -0.054 0.000 0.861 164 S HN 0.934 nan 8.310 nan 0.000 0.456 165 T N 0.749 115.347 114.554 0.074 0.000 2.929 165 T HA 0.043 4.375 4.350 -0.031 0.000 0.271 165 T C 1.604 176.430 174.700 0.210 0.000 1.085 165 T CA 0.819 63.015 62.100 0.160 0.000 1.125 165 T CB -0.516 68.518 68.868 0.277 0.000 0.874 165 T HN 0.309 nan 8.240 nan 0.000 0.494 166 L N 0.770 122.024 121.223 0.052 0.000 2.240 166 L HA 0.253 4.574 4.340 -0.031 0.000 0.211 166 L C 2.368 179.231 176.870 -0.013 0.000 1.106 166 L CA 1.011 55.808 54.840 -0.071 0.000 0.793 166 L CB -0.425 41.522 42.059 -0.188 0.000 0.927 166 L HN 0.470 nan 8.230 nan 0.000 0.446 167 I N -3.383 117.181 120.570 -0.010 0.000 3.861 167 I HA 0.374 4.525 4.170 -0.031 0.000 0.329 167 I C 1.050 177.163 176.117 -0.008 0.000 1.321 167 I CA 0.346 61.635 61.300 -0.019 0.000 1.126 167 I CB -0.236 37.741 38.000 -0.039 0.000 1.018 167 I HN 0.194 nan 8.210 nan 0.000 0.407 168 G N 1.348 110.159 108.800 0.019 0.000 2.160 168 G HA2 -0.239 3.702 3.960 -0.031 0.000 0.244 168 G HA3 -0.239 3.702 3.960 -0.031 0.000 0.244 168 G C -0.226 174.649 174.900 -0.043 0.000 1.022 168 G CA 0.334 45.435 45.100 0.001 0.000 0.741 168 G HN 0.659 nan 8.290 nan 0.000 0.508 169 E N -1.498 118.672 120.200 -0.051 0.000 2.428 169 E HA 0.686 5.017 4.350 -0.031 0.000 0.259 169 E C 1.028 177.553 176.600 -0.124 0.000 0.930 169 E CA -0.420 55.918 56.400 -0.103 0.000 0.823 169 E CB 1.371 31.020 29.700 -0.085 0.000 1.403 169 E HN 1.379 nan 8.360 nan 0.000 0.415 170 G N -0.485 108.203 108.800 -0.187 0.000 2.575 170 G HA2 -0.277 3.664 3.960 -0.031 0.000 0.267 170 G HA3 -0.277 3.664 3.960 -0.031 0.000 0.267 170 G C -1.162 173.545 174.900 -0.321 0.000 1.264 170 G CA 0.161 45.187 45.100 -0.124 0.000 0.935 170 G HN 0.355 nan 8.290 nan 0.000 0.568 171 Y N -2.171 118.180 120.300 0.084 0.000 2.609 171 Y HA 0.650 5.184 4.550 -0.026 0.000 0.342 171 Y C 0.421 176.358 175.900 0.061 0.000 1.058 171 Y CA -0.933 57.205 58.100 0.063 0.000 1.055 171 Y CB 2.172 40.669 38.460 0.061 0.000 1.292 171 Y HN 0.506 nan 8.280 nan 0.000 0.476 172 V N 2.516 122.552 119.914 0.204 0.000 2.715 172 V HA 0.385 4.486 4.120 -0.031 0.000 0.310 172 V C -0.833 175.320 176.094 0.098 0.000 1.054 172 V CA -0.922 61.442 62.300 0.107 0.000 0.928 172 V CB 2.113 33.948 31.823 0.021 0.000 1.007 172 V HN 0.557 nan 8.190 nan 0.000 0.437 173 L N 5.094 126.357 121.223 0.068 0.000 2.349 173 L HA 0.558 4.879 4.340 -0.031 0.000 0.275 173 L C 0.024 176.911 176.870 0.027 0.000 1.115 173 L CA 0.537 55.406 54.840 0.048 0.000 0.820 173 L CB 0.475 42.563 42.059 0.049 0.000 1.135 173 L HN 0.619 nan 8.230 nan 0.000 0.445 174 R N 4.203 124.716 120.500 0.022 0.000 2.518 174 R HA 0.232 4.554 4.340 -0.031 0.000 0.287 174 R C -1.152 175.152 176.300 0.008 0.000 1.135 174 R CA -0.631 55.476 56.100 0.012 0.000 0.967 174 R CB 1.147 31.454 30.300 0.012 0.000 1.212 174 R HN 0.778 nan 8.270 nan 0.000 0.422 175 D N 2.004 122.407 120.400 0.005 0.000 2.772 175 D HA -0.195 4.426 4.640 -0.031 0.000 0.233 175 D C 0.846 177.146 176.300 0.000 0.000 1.143 175 D CA 1.799 55.800 54.000 0.002 0.000 0.700 175 D CB -0.759 40.041 40.800 0.000 0.000 1.076 175 D HN 1.115 nan 8.370 nan 0.000 0.430 176 G N -0.332 108.470 108.800 0.003 0.000 2.184 176 G HA2 -0.384 3.557 3.960 -0.031 0.000 0.264 176 G HA3 -0.384 3.557 3.960 -0.031 0.000 0.264 176 G C 0.374 175.267 174.900 -0.012 0.000 0.975 176 G CA 0.758 45.856 45.100 -0.002 0.000 0.642 176 G HN 0.527 nan 8.290 nan 0.000 0.536 177 R N 0.941 121.436 120.500 -0.008 0.000 2.589 177 R HA 0.530 4.851 4.340 -0.031 0.000 0.293 177 R C -2.552 173.745 176.300 -0.006 0.000 0.963 177 R CA -1.878 54.212 56.100 -0.018 0.000 0.905 177 R CB 2.220 32.512 30.300 -0.012 0.000 1.144 177 R HN 0.121 nan 8.270 nan 0.000 0.459 178 P HA 0.182 nan 4.420 nan 0.000 0.285 178 P C -0.875 176.486 177.300 0.101 0.000 1.259 178 P CA -0.314 62.785 63.100 -0.001 0.000 0.794 178 P CB 1.504 33.086 31.700 -0.197 0.000 0.940 179 V N 3.323 123.371 119.914 0.224 0.000 2.638 179 V HA 0.162 4.263 4.120 -0.031 0.000 0.306 179 V C 0.363 176.611 176.094 0.256 0.000 1.052 179 V CA -0.819 61.617 62.300 0.226 0.000 0.885 179 V CB 1.773 33.654 31.823 0.096 0.000 0.999 179 V HN 0.528 nan 8.190 nan 0.000 0.424 180 E N 2.356 122.657 120.200 0.168 0.000 2.652 180 E HA -0.051 4.280 4.350 -0.031 0.000 0.255 180 E C 0.809 177.352 176.600 -0.094 0.000 0.952 180 E CA 0.297 56.607 56.400 -0.149 0.000 0.947 180 E CB 0.591 30.208 29.700 -0.138 0.000 0.912 180 E HN 0.730 nan 8.360 nan 0.000 0.489 181 T N 3.040 117.509 114.554 -0.141 0.000 2.684 181 T HA -0.253 4.078 4.350 -0.031 0.000 0.267 181 T C 1.876 176.541 174.700 -0.058 0.000 1.036 181 T CA 1.429 63.488 62.100 -0.068 0.000 1.148 181 T CB -0.117 68.724 68.868 -0.045 0.000 0.863 181 T HN 0.649 nan 8.240 nan 0.000 0.436 182 A N 1.336 124.112 122.820 -0.073 0.000 1.903 182 A HA -0.293 4.008 4.320 -0.031 0.000 0.219 182 A C 2.279 179.839 177.584 -0.039 0.000 1.191 182 A CA 2.373 54.380 52.037 -0.050 0.000 0.638 182 A CB -0.919 18.047 19.000 -0.058 0.000 0.823 182 A HN 0.634 nan 8.150 nan 0.000 0.451 183 Q N -0.416 119.360 119.800 -0.040 0.000 2.020 183 Q HA -0.139 4.183 4.340 -0.031 0.000 0.202 183 Q C 1.984 177.967 176.000 -0.028 0.000 0.982 183 Q CA 2.183 57.970 55.803 -0.027 0.000 0.838 183 Q CB -0.291 28.437 28.738 -0.017 0.000 0.899 183 Q HN 0.384 nan 8.270 nan 0.000 0.423 184 V N 1.367 121.261 119.914 -0.034 0.000 2.332 184 V HA -0.307 3.795 4.120 -0.031 0.000 0.248 184 V C 2.395 178.454 176.094 -0.058 0.000 1.055 184 V CA 1.790 64.061 62.300 -0.048 0.000 1.038 184 V CB -0.582 31.202 31.823 -0.065 0.000 0.651 184 V HN 0.417 nan 8.190 nan 0.000 0.450 185 L N -0.116 121.075 121.223 -0.054 0.000 2.056 185 L HA -0.111 4.211 4.340 -0.031 0.000 0.207 185 L C 2.759 179.615 176.870 -0.024 0.000 1.078 185 L CA 1.451 56.267 54.840 -0.040 0.000 0.749 185 L CB -0.910 41.143 42.059 -0.009 0.000 0.901 185 L HN 0.361 nan 8.230 nan 0.000 0.433 186 A N 0.124 122.931 122.820 -0.022 0.000 1.908 186 A HA -0.227 4.074 4.320 -0.031 0.000 0.218 186 A C 2.178 179.752 177.584 -0.017 0.000 1.181 186 A CA 1.725 53.753 52.037 -0.016 0.000 0.627 186 A CB -0.410 18.580 19.000 -0.017 0.000 0.818 186 A HN 0.449 nan 8.150 nan 0.000 0.445 187 E N -0.534 119.653 120.200 -0.021 0.000 2.047 187 E HA -0.144 4.187 4.350 -0.031 0.000 0.191 187 E C 2.085 178.672 176.600 -0.022 0.000 0.987 187 E CA 1.049 57.437 56.400 -0.020 0.000 0.799 187 E CB -0.147 29.539 29.700 -0.023 0.000 0.752 187 E HN 0.530 nan 8.360 nan 0.000 0.449 188 R N -0.091 120.391 120.500 -0.030 0.000 2.323 188 R HA 0.066 4.388 4.340 -0.031 0.000 0.198 188 R C 0.683 176.973 176.300 -0.017 0.000 0.988 188 R CA 0.545 56.627 56.100 -0.029 0.000 1.041 188 R CB 0.213 30.483 30.300 -0.050 0.000 0.926 188 R HN 0.173 nan 8.270 nan 0.000 0.476 189 G N 2.280 111.072 108.800 -0.013 0.000 2.385 189 G HA2 -0.247 3.694 3.960 -0.031 0.000 0.294 189 G HA3 -0.247 3.694 3.960 -0.031 0.000 0.294 189 G C -0.219 174.683 174.900 0.003 0.000 1.070 189 G CA -0.138 44.959 45.100 -0.005 0.000 1.172 189 G HN 0.270 nan 8.290 nan 0.000 0.516 190 I N -0.359 120.215 120.570 0.008 0.000 2.533 190 I HA 0.337 4.489 4.170 -0.031 0.000 0.290 190 I C 0.179 176.312 176.117 0.027 0.000 1.056 190 I CA -0.866 60.450 61.300 0.027 0.000 1.057 190 I CB 2.200 40.231 38.000 0.052 0.000 1.240 190 I HN 0.311 nan 8.210 nan 0.000 0.423 191 E N 7.756 127.971 120.200 0.025 0.000 2.152 191 E HA 0.353 4.685 4.350 -0.031 0.000 0.285 191 E C -2.292 174.322 176.600 0.023 0.000 1.043 191 E CA -1.637 54.772 56.400 0.015 0.000 0.839 191 E CB 0.938 30.641 29.700 0.005 0.000 1.069 191 E HN 0.249 nan 8.360 nan 0.000 0.399 192 P HA -0.068 nan 4.420 nan 0.000 0.269 192 P C -0.606 176.694 177.300 -0.001 0.000 1.211 192 P CA 0.264 63.378 63.100 0.024 0.000 0.781 192 P CB 0.494 32.200 31.700 0.011 0.000 0.877 193 L N 0.701 121.915 121.223 -0.015 0.000 2.454 193 L HA 0.406 4.727 4.340 -0.031 0.000 0.256 193 L C 0.831 177.677 176.870 -0.040 0.000 1.136 193 L CA -0.452 54.367 54.840 -0.034 0.000 0.804 193 L CB 0.452 42.478 42.059 -0.056 0.000 1.181 193 L HN 0.399 nan 8.230 nan 0.000 0.469 194 E N 1.117 121.288 120.200 -0.047 0.000 2.191 194 E HA 0.357 4.688 4.350 -0.031 0.000 0.263 194 E C -1.344 175.219 176.600 -0.062 0.000 0.881 194 E CA -0.685 55.683 56.400 -0.054 0.000 0.757 194 E CB 1.424 31.091 29.700 -0.055 0.000 1.147 194 E HN 0.427 nan 8.360 nan 0.000 0.414 195 L N 4.874 126.059 121.223 -0.064 0.000 2.418 195 L HA 0.248 4.569 4.340 -0.031 0.000 0.274 195 L C 0.868 177.693 176.870 -0.076 0.000 1.135 195 L CA -0.172 54.630 54.840 -0.063 0.000 0.870 195 L CB 0.057 42.081 42.059 -0.059 0.000 1.154 195 L HN 0.410 nan 8.230 nan 0.000 0.462 196 R N 2.030 122.491 120.500 -0.066 0.000 2.705 196 R HA 0.410 4.732 4.340 -0.031 0.000 0.246 196 R C -0.459 175.844 176.300 0.005 0.000 1.142 196 R CA -1.195 54.842 56.100 -0.105 0.000 1.114 196 R CB 0.435 30.689 30.300 -0.078 0.000 1.256 196 R HN 0.184 nan 8.270 nan 0.000 0.536 197 F N 2.194 122.178 119.950 0.057 0.000 2.439 197 F HA -0.240 4.268 4.527 -0.032 0.000 0.417 197 F C 1.808 177.693 175.800 0.142 0.000 0.957 197 F CA 1.282 59.355 58.000 0.121 0.000 1.146 197 F CB -0.115 38.998 39.000 0.189 0.000 0.911 197 F HN 0.618 nan 8.300 nan 0.000 0.531 198 K N 0.801 121.389 120.400 0.314 0.000 3.596 198 K HA -0.329 3.972 4.320 -0.031 0.000 0.295 198 K C 1.341 177.961 176.600 0.035 0.000 1.230 198 K CA 1.844 58.215 56.287 0.140 0.000 1.029 198 K CB -0.839 31.685 32.500 0.040 0.000 1.303 198 K HN 0.811 nan 8.250 nan 0.000 0.442 199 E N -0.764 119.456 120.200 0.034 0.000 2.150 199 E HA -0.115 4.216 4.350 -0.031 0.000 0.193 199 E C 1.948 178.522 176.600 -0.044 0.000 0.985 199 E CA 1.084 57.471 56.400 -0.021 0.000 0.814 199 E CB -0.136 29.550 29.700 -0.024 0.000 0.752 199 E HN 0.590 nan 8.360 nan 0.000 0.466 200 G N 1.671 110.446 108.800 -0.043 0.000 2.404 200 G HA2 -0.235 3.706 3.960 -0.031 0.000 0.215 200 G HA3 -0.235 3.706 3.960 -0.031 0.000 0.215 200 G C 1.584 176.411 174.900 -0.121 0.000 1.174 200 G CA 0.428 45.474 45.100 -0.090 0.000 0.780 200 G HN 0.138 nan 8.290 nan 0.000 0.537 201 L N 1.370 122.536 121.223 -0.095 0.000 2.046 201 L HA 0.181 4.502 4.340 -0.031 0.000 0.208 201 L C 3.078 179.913 176.870 -0.058 0.000 1.077 201 L CA 2.130 56.911 54.840 -0.097 0.000 0.747 201 L CB -0.686 41.382 42.059 0.014 0.000 0.896 201 L HN 0.231 nan 8.230 nan 0.000 0.432 202 A N -0.484 122.310 122.820 -0.043 0.000 1.908 202 A HA -0.207 4.094 4.320 -0.031 0.000 0.218 202 A C 2.276 179.836 177.584 -0.039 0.000 1.181 202 A CA 2.133 54.146 52.037 -0.039 0.000 0.627 202 A CB -0.981 17.982 19.000 -0.063 0.000 0.818 202 A HN 0.514 nan 8.150 nan 0.000 0.445 203 L N -0.593 120.596 121.223 -0.056 0.000 2.131 203 L HA -0.119 4.202 4.340 -0.031 0.000 0.210 203 L C 2.360 179.203 176.870 -0.046 0.000 1.092 203 L CA 1.629 56.436 54.840 -0.055 0.000 0.759 203 L CB -0.322 41.695 42.059 -0.069 0.000 0.903 203 L HN 0.723 nan 8.230 nan 0.000 0.435 204 I N -4.940 115.593 120.570 -0.062 0.000 4.057 204 I HA 0.137 4.289 4.170 -0.031 0.000 0.334 204 I C 0.893 176.984 176.117 -0.044 0.000 1.308 204 I CA 0.056 61.322 61.300 -0.056 0.000 1.125 204 I CB 0.041 37.982 38.000 -0.099 0.000 1.034 204 I HN 0.014 nan 8.210 nan 0.000 0.401 205 N N 2.310 120.992 118.700 -0.029 0.000 3.250 205 N HA 0.442 5.163 4.740 -0.031 0.000 0.307 205 N C -0.178 175.397 175.510 0.108 0.000 1.355 205 N CA 0.146 53.198 53.050 0.004 0.000 1.192 205 N CB 0.169 38.667 38.487 0.018 0.000 1.478 205 N HN 0.628 nan 8.380 nan 0.000 0.543 206 G N -1.715 107.137 108.800 0.087 0.000 2.749 206 G HA2 0.252 4.193 3.960 -0.031 0.000 0.300 206 G HA3 0.252 4.193 3.960 -0.031 0.000 0.300 206 G C 0.035 174.982 174.900 0.079 0.000 1.352 206 G CA -0.376 44.792 45.100 0.113 0.000 0.789 206 G HN 0.168 nan 8.290 nan 0.000 0.509 207 T N -2.182 112.407 114.554 0.058 0.000 3.186 207 T HA 0.227 4.559 4.350 -0.031 0.000 0.257 207 T C 1.684 176.386 174.700 0.002 0.000 1.029 207 T CA 0.895 63.012 62.100 0.029 0.000 0.916 207 T CB 0.297 69.178 68.868 0.022 0.000 1.041 207 T HN 0.236 nan 8.240 nan 0.000 0.562 208 S N 1.279 116.978 115.700 -0.002 0.000 2.419 208 S HA 0.002 4.453 4.470 -0.031 0.000 0.235 208 S C 2.265 176.831 174.600 -0.057 0.000 1.019 208 S CA 1.211 59.396 58.200 -0.025 0.000 0.982 208 S CB -0.719 62.467 63.200 -0.023 0.000 0.789 208 S HN 0.784 nan 8.310 nan 0.000 0.490 209 G N 2.658 111.427 108.800 -0.051 0.000 2.434 209 G HA2 -0.212 3.729 3.960 -0.031 0.000 0.214 209 G HA3 -0.212 3.729 3.960 -0.031 0.000 0.214 209 G C 1.463 176.305 174.900 -0.097 0.000 1.202 209 G CA 1.061 46.102 45.100 -0.097 0.000 0.788 209 G HN 0.637 nan 8.290 nan 0.000 0.539 210 M N -0.406 119.172 119.600 -0.037 0.000 2.254 210 M HA 0.115 4.576 4.480 -0.031 0.000 0.265 210 M C 2.214 178.495 176.300 -0.032 0.000 1.066 210 M CA 1.959 57.245 55.300 -0.022 0.000 1.123 210 M CB -0.744 31.851 32.600 -0.008 0.000 1.388 210 M HN -0.007 nan 8.290 nan 0.000 0.425 211 T N 1.079 115.612 114.554 -0.035 0.000 2.857 211 T HA 0.073 4.404 4.350 -0.031 0.000 0.266 211 T C 1.969 176.645 174.700 -0.040 0.000 1.048 211 T CA 1.422 63.504 62.100 -0.030 0.000 1.139 211 T CB -0.581 68.273 68.868 -0.023 0.000 0.874 211 T HN 0.688 nan 8.240 nan 0.000 0.455 212 G N 1.642 110.403 108.800 -0.065 0.000 2.434 212 G HA2 -0.125 3.816 3.960 -0.031 0.000 0.214 212 G HA3 -0.125 3.816 3.960 -0.031 0.000 0.214 212 G C 1.512 176.360 174.900 -0.086 0.000 1.202 212 G CA 0.671 45.723 45.100 -0.080 0.000 0.788 212 G HN 0.388 nan 8.290 nan 0.000 0.539 213 L N 1.650 122.799 121.223 -0.124 0.000 2.042 213 L HA 0.112 4.434 4.340 -0.031 0.000 0.210 213 L C 2.824 179.680 176.870 -0.023 0.000 1.076 213 L CA 2.422 57.207 54.840 -0.092 0.000 0.749 213 L CB -0.993 41.009 42.059 -0.095 0.000 0.893 213 L HN 0.188 nan 8.230 nan 0.000 0.432 214 G N -1.793 106.997 108.800 -0.017 0.000 2.442 214 G HA2 -0.252 3.689 3.960 -0.031 0.000 0.219 214 G HA3 -0.252 3.689 3.960 -0.031 0.000 0.219 214 G C 1.591 176.497 174.900 0.009 0.000 1.141 214 G CA 0.917 46.020 45.100 0.003 0.000 0.763 214 G HN 0.484 nan 8.290 nan 0.000 0.554 215 S N 0.425 116.124 115.700 -0.001 0.000 2.356 215 S HA -0.034 4.417 4.470 -0.031 0.000 0.223 215 S C 2.323 176.933 174.600 0.017 0.000 1.032 215 S CA 0.951 59.157 58.200 0.009 0.000 1.005 215 S CB -0.288 62.912 63.200 -0.000 0.000 0.867 215 S HN 0.334 nan 8.310 nan 0.000 0.449 216 L N 1.058 122.285 121.223 0.008 0.000 1.989 216 L HA -0.121 4.201 4.340 -0.031 0.000 0.211 216 L C 2.409 179.297 176.870 0.030 0.000 1.071 216 L CA 1.085 55.936 54.840 0.017 0.000 0.749 216 L CB -0.988 41.077 42.059 0.010 0.000 0.890 216 L HN 0.202 nan 8.230 nan 0.000 0.431 217 V N -0.399 119.535 119.914 0.033 0.000 2.255 217 V HA -0.272 3.829 4.120 -0.031 0.000 0.247 217 V C 2.459 178.582 176.094 0.048 0.000 1.051 217 V CA 1.779 64.105 62.300 0.043 0.000 1.018 217 V CB -0.375 31.476 31.823 0.045 0.000 0.641 217 V HN 0.209 nan 8.190 nan 0.000 0.445 218 V N 0.772 120.715 119.914 0.048 0.000 2.343 218 V HA -0.165 3.936 4.120 -0.031 0.000 0.247 218 V C 2.622 178.755 176.094 0.065 0.000 1.051 218 V CA 2.096 64.432 62.300 0.060 0.000 1.036 218 V CB -1.398 30.464 31.823 0.065 0.000 0.654 218 V HN 0.623 nan 8.190 nan 0.000 0.451 219 G N -0.093 108.741 108.800 0.057 0.000 2.418 219 G HA2 -0.234 3.707 3.960 -0.031 0.000 0.217 219 G HA3 -0.234 3.707 3.960 -0.031 0.000 0.217 219 G C 1.765 176.699 174.900 0.057 0.000 1.158 219 G CA 0.665 45.800 45.100 0.058 0.000 0.771 219 G HN 0.455 nan 8.290 nan 0.000 0.545 220 R N 0.375 120.906 120.500 0.051 0.000 2.115 220 R HA 0.187 4.508 4.340 -0.031 0.000 0.226 220 R C 2.979 179.313 176.300 0.056 0.000 1.100 220 R CA 0.825 56.955 56.100 0.051 0.000 0.980 220 R CB -0.267 30.061 30.300 0.047 0.000 0.875 220 R HN 0.328 nan 8.270 nan 0.000 0.445 221 A N 1.311 124.165 122.820 0.056 0.000 1.933 221 A HA -0.126 4.175 4.320 -0.031 0.000 0.218 221 A C 2.113 179.728 177.584 0.053 0.000 1.175 221 A CA 1.152 53.221 52.037 0.053 0.000 0.628 221 A CB -0.443 18.587 19.000 0.052 0.000 0.814 221 A HN 0.174 nan 8.150 nan 0.000 0.444 222 L N -0.698 120.563 121.223 0.064 0.000 2.093 222 L HA -0.169 4.152 4.340 -0.031 0.000 0.208 222 L C 2.539 179.454 176.870 0.074 0.000 1.085 222 L CA 1.436 56.321 54.840 0.075 0.000 0.755 222 L CB -0.494 41.632 42.059 0.112 0.000 0.904 222 L HN 0.468 nan 8.230 nan 0.000 0.435 223 E N -0.413 119.830 120.200 0.072 0.000 2.150 223 E HA -0.276 4.055 4.350 -0.031 0.000 0.193 223 E C 2.062 178.710 176.600 0.079 0.000 0.985 223 E CA 0.827 57.271 56.400 0.074 0.000 0.814 223 E CB -0.046 29.695 29.700 0.067 0.000 0.752 223 E HN 0.507 nan 8.360 nan 0.000 0.466 224 Q N 0.646 120.489 119.800 0.071 0.000 2.119 224 Q HA -0.121 4.200 4.340 -0.031 0.000 0.201 224 Q C 2.136 178.177 176.000 0.069 0.000 0.972 224 Q CA 1.184 57.031 55.803 0.074 0.000 0.847 224 Q CB -0.047 28.729 28.738 0.063 0.000 0.903 224 Q HN 0.239 nan 8.270 nan 0.000 0.433 225 A N 0.579 123.430 122.820 0.052 0.000 1.902 225 A HA -0.249 4.052 4.320 -0.031 0.000 0.217 225 A C 1.926 179.538 177.584 0.047 0.000 1.181 225 A CA 1.608 53.666 52.037 0.036 0.000 0.623 225 A CB -0.518 18.491 19.000 0.014 0.000 0.818 225 A HN 0.513 nan 8.150 nan 0.000 0.443 226 Q N -0.654 119.184 119.800 0.063 0.000 2.084 226 Q HA -0.214 4.107 4.340 -0.031 0.000 0.202 226 Q C 2.221 178.274 176.000 0.089 0.000 0.978 226 Q CA 1.662 57.507 55.803 0.069 0.000 0.844 226 Q CB -0.223 28.563 28.738 0.079 0.000 0.898 226 Q HN 0.760 nan 8.270 nan 0.000 0.426 227 Q N -0.220 119.654 119.800 0.123 0.000 2.297 227 Q HA -0.047 4.274 4.340 -0.031 0.000 0.204 227 Q C 1.956 178.050 176.000 0.158 0.000 0.962 227 Q CA 0.896 56.816 55.803 0.195 0.000 0.879 227 Q CB -0.004 28.870 28.738 0.226 0.000 0.947 227 Q HN 0.345 nan 8.270 nan 0.000 0.462 228 A N 1.286 124.157 122.820 0.085 0.000 1.929 228 A HA -0.177 4.124 4.320 -0.031 0.000 0.216 228 A C 1.765 179.333 177.584 -0.026 0.000 1.176 228 A CA 1.096 53.148 52.037 0.026 0.000 0.628 228 A CB -0.184 18.832 19.000 0.027 0.000 0.816 228 A HN 0.279 nan 8.150 nan 0.000 0.444 229 E N -0.172 120.023 120.200 -0.008 0.000 2.106 229 E HA -0.119 4.213 4.350 -0.031 0.000 0.192 229 E C 1.797 178.356 176.600 -0.068 0.000 0.984 229 E CA 1.082 57.459 56.400 -0.040 0.000 0.806 229 E CB -0.262 29.423 29.700 -0.024 0.000 0.750 229 E HN 0.685 nan 8.360 nan 0.000 0.458 230 I N 0.772 121.325 120.570 -0.028 0.000 2.179 230 I HA -0.255 3.896 4.170 -0.031 0.000 0.242 230 I C 2.300 178.315 176.117 -0.171 0.000 1.088 230 I CA 0.960 62.243 61.300 -0.029 0.000 1.357 230 I CB -0.242 37.827 38.000 0.115 0.000 1.051 230 I HN 0.033 nan 8.210 nan 0.000 0.409 231 V N -0.897 118.797 119.914 -0.366 0.000 2.453 231 V HA -0.202 3.899 4.120 -0.031 0.000 0.247 231 V C 2.395 178.291 176.094 -0.330 0.000 1.048 231 V CA 2.116 64.038 62.300 -0.629 0.000 1.049 231 V CB -1.509 29.742 31.823 -0.952 0.000 0.672 231 V HN 0.389 nan 8.190 nan 0.000 0.457 232 T N 1.126 115.549 114.554 -0.218 0.000 2.720 232 T HA -0.167 4.165 4.350 -0.031 0.000 0.268 232 T C 2.162 176.785 174.700 -0.129 0.000 1.037 232 T CA 1.946 63.967 62.100 -0.132 0.000 1.144 232 T CB -0.518 68.305 68.868 -0.076 0.000 0.864 232 T HN 0.628 nan 8.240 nan 0.000 0.444 233 A N 1.271 123.997 122.820 -0.157 0.000 1.902 233 A HA -0.027 4.274 4.320 -0.031 0.000 0.217 233 A C 2.251 179.761 177.584 -0.123 0.000 1.181 233 A CA 1.393 53.330 52.037 -0.167 0.000 0.623 233 A CB -0.804 18.098 19.000 -0.165 0.000 0.818 233 A HN 0.415 nan 8.150 nan 0.000 0.443 234 L N -0.812 120.336 121.223 -0.125 0.000 2.046 234 L HA -0.090 4.231 4.340 -0.031 0.000 0.208 234 L C 2.228 179.048 176.870 -0.083 0.000 1.077 234 L CA 2.023 56.807 54.840 -0.094 0.000 0.747 234 L CB -0.636 41.361 42.059 -0.103 0.000 0.896 234 L HN 0.346 nan 8.230 nan 0.000 0.432 235 L N -0.435 120.724 121.223 -0.107 0.000 2.017 235 L HA -0.180 4.141 4.340 -0.031 0.000 0.208 235 L C 2.385 179.238 176.870 -0.030 0.000 1.073 235 L CA 1.863 56.658 54.840 -0.076 0.000 0.745 235 L CB -0.522 41.484 42.059 -0.089 0.000 0.894 235 L HN 0.299 nan 8.230 nan 0.000 0.432 236 I N -0.545 120.011 120.570 -0.023 0.000 2.264 236 I HA -0.311 3.840 4.170 -0.031 0.000 0.248 236 I C 2.368 178.485 176.117 -0.000 0.000 1.111 236 I CA 1.562 62.871 61.300 0.015 0.000 1.382 236 I CB -0.343 37.672 38.000 0.026 0.000 1.060 236 I HN 0.405 nan 8.210 nan 0.000 0.418 237 E N 0.708 120.889 120.200 -0.031 0.000 2.107 237 E HA -0.152 4.179 4.350 -0.031 0.000 0.191 237 E C 2.351 178.933 176.600 -0.029 0.000 0.982 237 E CA 1.101 57.479 56.400 -0.037 0.000 0.809 237 E CB -0.141 29.524 29.700 -0.059 0.000 0.756 237 E HN 0.499 nan 8.360 nan 0.000 0.459 238 A N 1.311 124.116 122.820 -0.025 0.000 1.972 238 A HA -0.123 4.178 4.320 -0.031 0.000 0.219 238 A C 2.276 179.864 177.584 0.006 0.000 1.169 238 A CA 1.527 53.555 52.037 -0.015 0.000 0.635 238 A CB -0.361 18.629 19.000 -0.017 0.000 0.810 238 A HN 0.230 nan 8.150 nan 0.000 0.446 239 V N -4.577 115.354 119.914 0.029 0.000 3.271 239 V HA 0.333 4.434 4.120 -0.031 0.000 0.327 239 V C 0.442 176.551 176.094 0.025 0.000 1.389 239 V CA -0.026 62.324 62.300 0.084 0.000 1.156 239 V CB -1.169 30.777 31.823 0.205 0.000 1.103 239 V HN 0.491 nan 8.190 nan 0.000 0.453 240 R N 0.580 121.075 120.500 -0.007 0.000 3.251 240 R HA -0.145 4.176 4.340 -0.031 0.000 0.249 240 R C 0.845 177.108 176.300 -0.061 0.000 0.949 240 R CA 0.611 56.690 56.100 -0.034 0.000 0.645 240 R CB -1.925 28.349 30.300 -0.043 0.000 1.065 240 R HN 0.848 nan 8.270 nan 0.000 0.452 241 G N 0.220 109.005 108.800 -0.024 0.000 2.616 241 G HA2 0.277 4.218 3.960 -0.031 0.000 0.268 241 G HA3 0.277 4.218 3.960 -0.031 0.000 0.268 241 G C 0.003 174.918 174.900 0.024 0.000 1.213 241 G CA -0.106 44.982 45.100 -0.019 0.000 0.926 241 G HN 0.209 nan 8.290 nan 0.000 0.523 242 S N -2.053 113.670 115.700 0.038 0.000 2.617 242 S HA 0.363 4.814 4.470 -0.031 0.000 0.269 242 S C 1.553 176.244 174.600 0.153 0.000 1.292 242 S CA 0.244 58.483 58.200 0.065 0.000 1.010 242 S CB 0.995 64.222 63.200 0.045 0.000 0.944 242 S HN 0.909 nan 8.310 nan 0.000 0.536 243 T N 0.060 114.711 114.554 0.161 0.000 3.069 243 T HA 0.109 4.441 4.350 -0.031 0.000 0.252 243 T C 1.797 176.599 174.700 0.171 0.000 1.053 243 T CA 0.569 62.839 62.100 0.283 0.000 0.964 243 T CB -0.167 68.829 68.868 0.214 0.000 1.005 243 T HN 0.457 nan 8.240 nan 0.000 0.532 244 S N 2.714 118.451 115.700 0.061 0.000 2.402 244 S HA -0.011 4.440 4.470 -0.031 0.000 0.233 244 S C -0.629 173.897 174.600 -0.124 0.000 1.030 244 S CA 1.067 59.263 58.200 -0.006 0.000 1.003 244 S CB -1.160 62.046 63.200 0.010 0.000 0.813 244 S HN 0.436 nan 8.310 nan 0.000 0.477 245 P HA 0.019 nan 4.420 nan 0.000 0.222 245 P C 0.341 177.356 177.300 -0.475 0.000 1.147 245 P CA 0.863 63.650 63.100 -0.521 0.000 0.790 245 P CB -0.109 31.098 31.700 -0.822 0.000 0.780 246 F N -1.796 118.234 119.950 0.134 0.000 2.727 246 F HA 0.188 4.696 4.527 -0.032 0.000 0.302 246 F C 0.981 176.882 175.800 0.168 0.000 1.097 246 F CA -0.539 57.547 58.000 0.143 0.000 1.330 246 F CB -0.883 38.140 39.000 0.038 0.000 1.084 246 F HN -0.249 nan 8.300 nan 0.000 0.578 247 L N 0.758 122.112 121.223 0.219 0.000 2.559 247 L HA 0.047 4.368 4.340 -0.031 0.000 0.274 247 L C 1.760 178.746 176.870 0.193 0.000 1.205 247 L CA -0.181 54.749 54.840 0.149 0.000 0.907 247 L CB 0.465 42.553 42.059 0.048 0.000 1.153 247 L HN 0.248 nan 8.230 nan 0.000 0.490 248 A N 3.834 126.753 122.820 0.164 0.000 1.927 248 A HA -0.213 4.088 4.320 -0.031 0.000 0.220 248 A C 2.066 179.716 177.584 0.110 0.000 1.185 248 A CA 1.873 54.010 52.037 0.166 0.000 0.639 248 A CB -0.412 18.646 19.000 0.096 0.000 0.820 248 A HN 0.904 nan 8.150 nan 0.000 0.451 249 E N -0.092 120.129 120.200 0.034 0.000 2.265 249 E HA -0.112 4.219 4.350 -0.031 0.000 0.196 249 E C 1.762 178.307 176.600 -0.090 0.000 0.996 249 E CA 1.252 57.640 56.400 -0.020 0.000 0.832 249 E CB -1.051 28.631 29.700 -0.031 0.000 0.756 249 E HN 0.508 nan 8.360 nan 0.000 0.491 250 G N -0.235 108.455 108.800 -0.184 0.000 2.650 250 G HA2 -0.118 3.823 3.960 -0.031 0.000 0.214 250 G HA3 -0.118 3.823 3.960 -0.031 0.000 0.214 250 G C 0.775 175.311 174.900 -0.606 0.000 1.136 250 G CA 0.717 45.564 45.100 -0.421 0.000 0.789 250 G HN 0.391 nan 8.290 nan 0.000 0.536 251 H N -0.702 118.366 119.070 -0.003 0.000 2.143 251 H HA 0.182 4.720 4.556 -0.031 0.000 0.238 251 H C 1.806 177.137 175.328 0.005 0.000 0.914 251 H CA 0.200 56.255 56.048 0.012 0.000 1.154 251 H CB -0.046 29.738 29.762 0.037 0.000 1.359 251 H HN 0.065 nan 8.280 nan 0.000 0.493 252 D N 0.780 121.268 120.400 0.148 0.000 2.172 252 D HA -0.136 4.485 4.640 -0.031 0.000 0.196 252 D C 1.616 177.931 176.300 0.025 0.000 0.999 252 D CA 1.592 55.637 54.000 0.074 0.000 0.856 252 D CB 0.145 40.984 40.800 0.065 0.000 0.934 252 D HN 0.383 nan 8.370 nan 0.000 0.453 253 I N -0.211 120.362 120.570 0.004 0.000 2.962 253 I HA 0.042 4.193 4.170 -0.031 0.000 0.246 253 I C 2.314 178.406 176.117 -0.042 0.000 1.091 253 I CA 0.504 61.791 61.300 -0.021 0.000 1.469 253 I CB -0.232 37.752 38.000 -0.027 0.000 1.324 253 I HN -0.079 nan 8.210 nan 0.000 0.461 254 A N 0.432 123.213 122.820 -0.065 0.000 1.877 254 A HA -0.084 4.217 4.320 -0.031 0.000 0.216 254 A C 1.791 179.332 177.584 -0.072 0.000 1.186 254 A CA 1.325 53.314 52.037 -0.080 0.000 0.620 254 A CB -0.161 18.769 19.000 -0.117 0.000 0.822 254 A HN 0.356 nan 8.150 nan 0.000 0.443 255 R N -0.222 120.242 120.500 -0.060 0.000 2.718 255 R HA 0.189 4.510 4.340 -0.031 0.000 0.266 255 R C -2.818 173.471 176.300 -0.017 0.000 1.776 255 R CA -1.387 54.687 56.100 -0.043 0.000 1.567 255 R CB 1.101 31.413 30.300 0.019 0.000 1.336 255 R HN 0.185 nan 8.270 nan 0.000 0.619 256 P HA -0.018 nan 4.420 nan 0.000 0.246 256 P C -0.828 176.434 177.300 -0.063 0.000 1.675 256 P CA 0.068 63.144 63.100 -0.039 0.000 0.908 256 P CB -0.458 31.216 31.700 -0.044 0.000 1.890 257 H N -0.045 119.060 119.070 0.058 0.000 2.722 257 H HA 0.069 4.607 4.556 -0.031 0.000 0.328 257 H C 1.619 176.995 175.328 0.079 0.000 1.067 257 H CA 0.034 56.115 56.048 0.056 0.000 1.447 257 H CB 1.131 30.919 29.762 0.044 0.000 1.469 257 H HN 0.233 nan 8.280 nan 0.000 0.544 258 E N 2.936 123.262 120.200 0.209 0.000 2.048 258 E HA -0.226 4.105 4.350 -0.031 0.000 0.202 258 E C 2.214 178.964 176.600 0.249 0.000 1.021 258 E CA 1.550 58.068 56.400 0.197 0.000 0.825 258 E CB -0.250 29.572 29.700 0.203 0.000 0.756 258 E HN 0.936 nan 8.360 nan 0.000 0.454 259 G N 0.342 109.307 108.800 0.275 0.000 2.442 259 G HA2 -0.350 3.591 3.960 -0.031 0.000 0.219 259 G HA3 -0.350 3.591 3.960 -0.031 0.000 0.219 259 G C 1.469 176.428 174.900 0.097 0.000 1.141 259 G CA 0.924 46.130 45.100 0.176 0.000 0.763 259 G HN 0.376 nan 8.290 nan 0.000 0.554 260 Q N -0.229 119.635 119.800 0.106 0.000 2.046 260 Q HA -0.030 4.291 4.340 -0.031 0.000 0.200 260 Q C 2.559 178.558 176.000 -0.003 0.000 0.975 260 Q CA 1.055 56.898 55.803 0.067 0.000 0.836 260 Q CB -0.206 28.633 28.738 0.169 0.000 0.896 260 Q HN 0.551 nan 8.270 nan 0.000 0.428 261 I N 1.195 121.807 120.570 0.071 0.000 2.163 261 I HA -0.312 3.839 4.170 -0.031 0.000 0.243 261 I C 1.700 177.826 176.117 0.014 0.000 1.085 261 I CA 1.315 62.642 61.300 0.045 0.000 1.347 261 I CB -0.306 37.746 38.000 0.087 0.000 1.044 261 I HN 0.260 nan 8.210 nan 0.000 0.408 262 D N 0.296 120.733 120.400 0.062 0.000 2.097 262 D HA -0.149 4.472 4.640 -0.031 0.000 0.195 262 D C 2.210 178.527 176.300 0.029 0.000 0.989 262 D CA 1.621 55.663 54.000 0.069 0.000 0.827 262 D CB -0.524 40.369 40.800 0.156 0.000 0.966 262 D HN 0.257 nan 8.370 nan 0.000 0.456 263 T N 0.850 115.410 114.554 0.011 0.000 2.708 263 T HA -0.134 4.197 4.350 -0.031 0.000 0.266 263 T C 2.017 176.695 174.700 -0.037 0.000 1.037 263 T CA 1.675 63.768 62.100 -0.010 0.000 1.146 263 T CB -0.349 68.514 68.868 -0.007 0.000 0.865 263 T HN 0.207 nan 8.240 nan 0.000 0.435 264 A N 1.520 124.276 122.820 -0.106 0.000 1.883 264 A HA 0.062 4.363 4.320 -0.031 0.000 0.217 264 A C 2.661 180.231 177.584 -0.023 0.000 1.186 264 A CA 2.070 54.048 52.037 -0.099 0.000 0.624 264 A CB -1.233 17.481 19.000 -0.478 0.000 0.822 264 A HN 0.519 nan 8.150 nan 0.000 0.444 265 A N 0.092 122.898 122.820 -0.025 0.000 1.908 265 A HA -0.234 4.067 4.320 -0.031 0.000 0.218 265 A C 1.944 179.517 177.584 -0.017 0.000 1.181 265 A CA 2.051 54.088 52.037 -0.000 0.000 0.627 265 A CB -0.699 18.308 19.000 0.012 0.000 0.818 265 A HN 0.551 nan 8.150 nan 0.000 0.445 266 N N -0.475 118.210 118.700 -0.025 0.000 2.120 266 N HA -0.105 4.616 4.740 -0.031 0.000 0.188 266 N C 1.663 177.118 175.510 -0.091 0.000 1.024 266 N CA 1.584 54.611 53.050 -0.037 0.000 0.852 266 N CB -0.385 38.091 38.487 -0.019 0.000 1.003 266 N HN 0.350 nan 8.380 nan 0.000 0.424 267 M N 0.353 119.860 119.600 -0.155 0.000 2.159 267 M HA -0.047 4.414 4.480 -0.031 0.000 0.263 267 M C 2.054 178.174 176.300 -0.299 0.000 1.063 267 M CA 1.004 56.102 55.300 -0.337 0.000 1.110 267 M CB -0.894 31.300 32.600 -0.676 0.000 1.374 267 M HN 0.155 nan 8.290 nan 0.000 0.411 268 R N -0.014 120.392 120.500 -0.156 0.000 2.073 268 R HA -0.095 4.226 4.340 -0.031 0.000 0.234 268 R C 2.211 178.474 176.300 -0.061 0.000 1.134 268 R CA 1.716 57.777 56.100 -0.065 0.000 0.952 268 R CB -0.191 30.116 30.300 0.012 0.000 0.850 268 R HN 0.364 nan 8.270 nan 0.000 0.433 269 A N 0.583 123.372 122.820 -0.053 0.000 1.930 269 A HA -0.095 4.206 4.320 -0.031 0.000 0.217 269 A C 2.124 179.678 177.584 -0.049 0.000 1.175 269 A CA 0.974 52.988 52.037 -0.037 0.000 0.627 269 A CB -0.393 18.594 19.000 -0.022 0.000 0.815 269 A HN 0.281 nan 8.150 nan 0.000 0.443 270 L N -1.370 119.808 121.223 -0.076 0.000 2.093 270 L HA -0.087 4.235 4.340 -0.031 0.000 0.208 270 L C 2.413 179.232 176.870 -0.086 0.000 1.085 270 L CA 1.219 56.013 54.840 -0.076 0.000 0.755 270 L CB -0.314 41.686 42.059 -0.100 0.000 0.904 270 L HN 0.395 nan 8.230 nan 0.000 0.435 271 M N -1.060 118.472 119.600 -0.114 0.000 2.495 271 M HA 0.051 4.512 4.480 -0.031 0.000 0.237 271 M C 0.636 176.899 176.300 -0.063 0.000 1.131 271 M CA -0.049 55.192 55.300 -0.099 0.000 1.032 271 M CB 0.150 32.669 32.600 -0.134 0.000 1.513 271 M HN 0.031 nan 8.290 nan 0.000 0.488 272 R N 1.716 122.185 120.500 -0.050 0.000 2.484 272 R HA 0.075 4.396 4.340 -0.031 0.000 0.293 272 R C 0.608 176.889 176.300 -0.033 0.000 1.023 272 R CA 1.416 57.498 56.100 -0.031 0.000 1.037 272 R CB -0.013 30.274 30.300 -0.022 0.000 0.951 272 R HN 0.553 nan 8.270 nan 0.000 0.418 273 G N 2.614 111.397 108.800 -0.028 0.000 2.132 273 G HA2 -0.269 3.672 3.960 -0.031 0.000 0.234 273 G HA3 -0.269 3.672 3.960 -0.031 0.000 0.234 273 G C -0.042 174.830 174.900 -0.046 0.000 0.989 273 G CA 0.403 45.483 45.100 -0.033 0.000 0.676 273 G HN 0.746 nan 8.290 nan 0.000 0.522 274 S N -0.535 115.137 115.700 -0.046 0.000 2.562 274 S HA 0.610 5.061 4.470 -0.031 0.000 0.275 274 S C 1.471 176.043 174.600 -0.046 0.000 1.281 274 S CA 0.814 58.980 58.200 -0.056 0.000 1.045 274 S CB 1.278 64.445 63.200 -0.055 0.000 0.962 274 S HN 1.278 nan 8.310 nan 0.000 0.503 275 G N 3.092 111.858 108.800 -0.056 0.000 3.159 275 G HA2 0.202 4.143 3.960 -0.031 0.000 0.232 275 G HA3 0.202 4.143 3.960 -0.031 0.000 0.232 275 G C 0.846 175.721 174.900 -0.041 0.000 1.116 275 G CA -0.120 44.953 45.100 -0.045 0.000 0.767 275 G HN 0.641 nan 8.290 nan 0.000 0.547 276 L N 1.027 122.223 121.223 -0.046 0.000 2.316 276 L HA 0.163 4.484 4.340 -0.031 0.000 0.207 276 L C 1.889 178.742 176.870 -0.028 0.000 1.070 276 L CA 0.577 55.393 54.840 -0.040 0.000 0.820 276 L CB -0.407 41.623 42.059 -0.048 0.000 0.992 276 L HN 0.193 nan 8.230 nan 0.000 0.466 277 T N -0.003 114.537 114.554 -0.022 0.000 2.903 277 T HA 0.306 4.638 4.350 -0.031 0.000 0.314 277 T C -0.118 174.581 174.700 -0.001 0.000 1.078 277 T CA -0.564 61.534 62.100 -0.004 0.000 1.114 277 T CB 1.095 69.970 68.868 0.011 0.000 0.987 277 T HN 0.042 nan 8.240 nan 0.000 0.548 278 V N -0.549 119.368 119.914 0.005 0.000 2.680 278 V HA 0.684 4.786 4.120 -0.031 0.000 0.309 278 V C -0.279 175.829 176.094 0.023 0.000 1.052 278 V CA -1.242 61.058 62.300 -0.000 0.000 0.908 278 V CB 1.475 33.283 31.823 -0.025 0.000 1.001 278 V HN 1.095 nan 8.190 nan 0.000 0.431 279 E N 1.533 121.747 120.200 0.022 0.000 2.283 279 E HA 0.243 4.574 4.350 -0.031 0.000 0.271 279 E C 0.839 177.468 176.600 0.049 0.000 1.031 279 E CA -0.541 55.889 56.400 0.051 0.000 0.868 279 E CB 0.813 30.540 29.700 0.045 0.000 1.094 279 E HN 0.917 nan 8.360 nan 0.000 0.401 280 H N 3.542 122.612 119.070 0.000 0.000 2.390 280 H HA -0.192 4.345 4.556 -0.032 0.000 0.298 280 H C 1.404 176.727 175.328 -0.008 0.000 1.106 280 H CA 1.967 58.011 56.048 -0.008 0.000 1.297 280 H CB 0.170 29.925 29.762 -0.012 0.000 1.375 280 H HN 0.605 nan 8.280 nan 0.000 0.509 281 A N 1.009 123.870 122.820 0.068 0.000 1.940 281 A HA -0.184 4.117 4.320 -0.031 0.000 0.219 281 A C 2.191 179.740 177.584 -0.058 0.000 1.176 281 A CA 1.805 53.854 52.037 0.021 0.000 0.631 281 A CB -0.305 18.723 19.000 0.046 0.000 0.814 281 A HN 0.519 nan 8.150 nan 0.000 0.446 282 D N -0.021 120.347 120.400 -0.054 0.000 2.103 282 D HA -0.085 4.536 4.640 -0.031 0.000 0.199 282 D C 2.043 178.284 176.300 -0.099 0.000 0.978 282 D CA 0.974 54.938 54.000 -0.060 0.000 0.829 282 D CB -0.375 40.402 40.800 -0.039 0.000 0.981 282 D HN 0.425 nan 8.370 nan 0.000 0.464 283 L N 1.091 122.228 121.223 -0.144 0.000 2.012 283 L HA -0.209 4.113 4.340 -0.031 0.000 0.210 283 L C 2.782 179.531 176.870 -0.201 0.000 1.073 283 L CA 1.439 56.177 54.840 -0.171 0.000 0.748 283 L CB -0.312 41.627 42.059 -0.201 0.000 0.891 283 L HN 0.083 nan 8.230 nan 0.000 0.431 284 R N -0.077 120.243 120.500 -0.300 0.000 2.115 284 R HA -0.137 4.184 4.340 -0.031 0.000 0.230 284 R C 2.218 178.449 176.300 -0.114 0.000 1.111 284 R CA 1.012 56.980 56.100 -0.220 0.000 0.976 284 R CB -0.430 29.727 30.300 -0.239 0.000 0.870 284 R HN 0.248 nan 8.270 nan 0.000 0.445 285 R N 0.748 121.190 120.500 -0.095 0.000 2.092 285 R HA -0.088 4.233 4.340 -0.031 0.000 0.231 285 R C 2.226 178.494 176.300 -0.053 0.000 1.119 285 R CA 1.678 57.744 56.100 -0.057 0.000 0.970 285 R CB -0.181 30.093 30.300 -0.043 0.000 0.864 285 R HN 0.463 nan 8.270 nan 0.000 0.440 286 E N 0.834 120.997 120.200 -0.062 0.000 2.150 286 E HA -0.140 4.191 4.350 -0.031 0.000 0.193 286 E C 1.821 178.390 176.600 -0.051 0.000 0.985 286 E CA 0.719 57.089 56.400 -0.051 0.000 0.814 286 E CB 0.125 29.793 29.700 -0.052 0.000 0.752 286 E HN 0.274 nan 8.360 nan 0.000 0.466 287 L N 0.376 121.560 121.223 -0.065 0.000 2.072 287 L HA -0.145 4.176 4.340 -0.031 0.000 0.205 287 L C 2.657 179.497 176.870 -0.049 0.000 1.079 287 L CA 1.006 55.809 54.840 -0.062 0.000 0.752 287 L CB -0.256 41.758 42.059 -0.075 0.000 0.906 287 L HN 0.181 nan 8.230 nan 0.000 0.436 288 Q N 0.001 119.773 119.800 -0.047 0.000 2.112 288 Q HA -0.254 4.067 4.340 -0.031 0.000 0.206 288 Q C 2.147 178.130 176.000 -0.029 0.000 0.987 288 Q CA 1.688 57.470 55.803 -0.034 0.000 0.858 288 Q CB 0.025 28.744 28.738 -0.031 0.000 0.905 288 Q HN 0.441 nan 8.270 nan 0.000 0.420 289 K N 0.033 120.415 120.400 -0.030 0.000 2.116 289 K HA -0.116 4.185 4.320 -0.031 0.000 0.203 289 K C 1.576 178.162 176.600 -0.024 0.000 1.052 289 K CA 1.218 57.491 56.287 -0.024 0.000 0.952 289 K CB 0.020 32.507 32.500 -0.023 0.000 0.729 289 K HN 0.110 nan 8.250 nan 0.000 0.446 290 D N 1.208 121.591 120.400 -0.028 0.000 2.219 290 D HA -0.067 4.554 4.640 -0.031 0.000 0.205 290 D C -0.138 176.146 176.300 -0.027 0.000 0.970 290 D CA 0.968 54.952 54.000 -0.028 0.000 0.851 290 D CB 0.257 41.037 40.800 -0.033 0.000 0.943 290 D HN -0.015 nan 8.370 nan 0.000 0.488 291 K N 0.208 120.591 120.400 -0.029 0.000 2.144 291 K HA 0.319 4.620 4.320 -0.031 0.000 0.270 291 K C -0.394 176.193 176.600 -0.021 0.000 1.005 291 K CA -0.121 56.150 56.287 -0.027 0.000 0.932 291 K CB 1.265 33.748 32.500 -0.028 0.000 1.021 291 K HN -0.076 nan 8.250 nan 0.000 0.462 292 E N 1.423 121.612 120.200 -0.018 0.000 3.898 292 E HA 0.164 4.495 4.350 -0.031 0.000 0.219 292 E C -1.052 175.540 176.600 -0.013 0.000 1.207 292 E CA -0.285 56.106 56.400 -0.015 0.000 1.240 292 E CB 1.176 30.868 29.700 -0.013 0.000 1.239 292 E HN 0.700 nan 8.360 nan 0.000 0.422 293 A N 1.422 124.233 122.820 -0.014 0.000 2.621 293 A HA -0.141 4.160 4.320 -0.031 0.000 0.316 293 A C 1.359 178.937 177.584 -0.011 0.000 1.789 293 A CA 1.308 53.338 52.037 -0.012 0.000 1.345 293 A CB -0.948 18.045 19.000 -0.011 0.000 0.723 293 A HN 0.655 nan 8.150 nan 0.000 0.378 294 G N -0.232 108.561 108.800 -0.011 0.000 2.641 294 G HA2 0.336 4.277 3.960 -0.031 0.000 0.207 294 G HA3 0.336 4.277 3.960 -0.031 0.000 0.207 294 G C 0.637 175.532 174.900 -0.009 0.000 1.137 294 G CA 0.619 45.714 45.100 -0.009 0.000 0.824 294 G HN 0.550 nan 8.290 nan 0.000 0.547 295 K N -0.487 119.907 120.400 -0.011 0.000 2.399 295 K HA 0.417 4.719 4.320 -0.031 0.000 0.260 295 K C 0.349 176.942 176.600 -0.012 0.000 1.049 295 K CA -0.630 55.650 56.287 -0.010 0.000 0.890 295 K CB 1.493 33.987 32.500 -0.010 0.000 1.430 295 K HN -0.172 nan 8.250 nan 0.000 0.459 296 D N -0.445 119.948 120.400 -0.011 0.000 2.097 296 D HA -0.043 4.579 4.640 -0.031 0.000 0.197 296 D C 0.109 176.400 176.300 -0.015 0.000 0.984 296 D CA 1.269 55.262 54.000 -0.012 0.000 0.826 296 D CB 0.196 40.990 40.800 -0.010 0.000 0.973 296 D HN 0.050 nan 8.370 nan 0.000 0.460 297 V N 1.661 121.566 119.914 -0.015 0.000 2.417 297 V HA 0.312 4.414 4.120 -0.031 0.000 0.291 297 V C -0.191 175.890 176.094 -0.022 0.000 1.024 297 V CA -0.626 61.662 62.300 -0.019 0.000 0.861 297 V CB 1.585 33.397 31.823 -0.018 0.000 0.985 297 V HN 0.137 nan 8.190 nan 0.000 0.436 298 Q N 4.076 123.859 119.800 -0.027 0.000 2.379 298 Q HA 0.715 5.037 4.340 -0.031 0.000 0.278 298 Q C -1.176 174.799 176.000 -0.041 0.000 1.068 298 Q CA -1.162 54.623 55.803 -0.030 0.000 0.816 298 Q CB 2.586 31.307 28.738 -0.028 0.000 1.387 298 Q HN 0.614 nan 8.270 nan 0.000 0.413 299 R N 0.776 121.251 120.500 -0.041 0.000 2.500 299 R HA 0.660 4.982 4.340 -0.031 0.000 0.275 299 R C -0.576 175.687 176.300 -0.062 0.000 1.051 299 R CA -0.454 55.614 56.100 -0.055 0.000 1.088 299 R CB 1.696 31.970 30.300 -0.042 0.000 1.063 299 R HN 0.685 nan 8.270 nan 0.000 0.511 300 S N -0.341 115.304 115.700 -0.092 0.000 2.588 300 S HA 0.179 4.630 4.470 -0.031 0.000 0.275 300 S C -0.145 174.384 174.600 -0.118 0.000 1.130 300 S CA -0.756 57.388 58.200 -0.095 0.000 0.855 300 S CB 1.713 64.847 63.200 -0.110 0.000 1.116 300 S HN 0.713 nan 8.310 nan 0.000 0.472 301 E N 1.382 121.544 120.200 -0.065 0.000 2.452 301 E HA 0.241 4.572 4.350 -0.031 0.000 0.197 301 E C -0.238 176.368 176.600 0.010 0.000 1.022 301 E CA 0.236 56.633 56.400 -0.005 0.000 0.890 301 E CB 0.217 29.945 29.700 0.048 0.000 0.918 301 E HN 0.563 nan 8.360 nan 0.000 0.496 302 I N 1.592 122.124 120.570 -0.062 0.000 2.416 302 I HA 0.058 4.209 4.170 -0.031 0.000 0.288 302 I C -0.528 175.511 176.117 -0.131 0.000 1.051 302 I CA -0.256 61.025 61.300 -0.032 0.000 1.375 302 I CB 0.281 38.251 38.000 -0.050 0.000 1.407 302 I HN -0.085 nan 8.210 nan 0.000 0.516 303 Y N 5.861 126.135 120.300 -0.045 0.000 2.353 303 Y HA 0.152 4.683 4.550 -0.031 0.000 0.340 303 Y C 0.699 176.568 175.900 -0.053 0.000 0.972 303 Y CA -0.588 57.494 58.100 -0.029 0.000 1.157 303 Y CB 1.544 40.000 38.460 -0.007 0.000 1.157 303 Y HN 0.505 nan 8.280 nan 0.000 0.495 304 L N 2.100 123.353 121.223 0.051 0.000 2.201 304 L HA -0.033 4.288 4.340 -0.031 0.000 0.212 304 L C 0.254 177.171 176.870 0.079 0.000 1.105 304 L CA 1.804 56.654 54.840 0.016 0.000 0.775 304 L CB -0.164 41.899 42.059 0.007 0.000 0.913 304 L HN 0.625 nan 8.230 nan 0.000 0.440 305 Q N -0.697 119.180 119.800 0.129 0.000 2.423 305 Q HA 0.378 4.699 4.340 -0.031 0.000 0.278 305 Q C -0.841 175.248 176.000 0.149 0.000 1.097 305 Q CA -1.049 54.829 55.803 0.125 0.000 0.809 305 Q CB 2.069 30.883 28.738 0.126 0.000 1.391 305 Q HN -0.092 nan 8.270 nan 0.000 0.428 306 K N 0.241 120.702 120.400 0.102 0.000 2.210 306 K HA 0.641 4.942 4.320 -0.031 0.000 0.236 306 K C -0.356 176.332 176.600 0.147 0.000 1.016 306 K CA -0.617 55.733 56.287 0.105 0.000 0.913 306 K CB 0.790 33.336 32.500 0.077 0.000 1.141 306 K HN 0.736 nan 8.250 nan 0.000 0.462 307 A N 0.458 123.357 122.820 0.132 0.000 2.475 307 A HA 0.033 4.334 4.320 -0.031 0.000 0.239 307 A C 0.587 178.317 177.584 0.244 0.000 1.087 307 A CA 0.193 52.301 52.037 0.118 0.000 0.779 307 A CB -0.263 18.747 19.000 0.016 0.000 1.036 307 A HN 0.609 nan 8.150 nan 0.000 0.506 308 Y N 0.982 121.293 120.300 0.018 0.000 2.151 308 Y HA -0.222 4.308 4.550 -0.032 0.000 0.284 308 Y C 3.000 178.911 175.900 0.019 0.000 1.166 308 Y CA 1.778 59.886 58.100 0.013 0.000 1.163 308 Y CB -1.406 37.060 38.460 0.009 0.000 0.974 308 Y HN 0.765 nan 8.280 nan 0.000 0.511 309 S N -0.591 115.220 115.700 0.184 0.000 2.493 309 S HA -0.102 4.349 4.470 -0.031 0.000 0.243 309 S C 1.356 176.019 174.600 0.105 0.000 0.991 309 S CA 1.128 59.393 58.200 0.110 0.000 0.957 309 S CB -0.682 62.552 63.200 0.058 0.000 0.756 309 S HN 0.495 nan 8.310 nan 0.000 0.521 310 L N -0.647 120.652 121.223 0.126 0.000 3.184 310 L HA 0.480 4.801 4.340 -0.031 0.000 0.283 310 L C 1.973 178.918 176.870 0.125 0.000 1.218 310 L CA -0.102 54.824 54.840 0.143 0.000 1.028 310 L CB 0.295 42.441 42.059 0.146 0.000 1.400 310 L HN 0.227 nan 8.230 nan 0.000 0.591 311 R N 0.207 120.750 120.500 0.072 0.000 2.561 311 R HA 0.278 4.599 4.340 -0.031 0.000 0.213 311 R C 1.385 177.628 176.300 -0.094 0.000 0.885 311 R CA 0.776 56.844 56.100 -0.053 0.000 1.002 311 R CB 0.391 30.686 30.300 -0.009 0.000 1.432 311 R HN 0.092 nan 8.270 nan 0.000 0.651 312 A N 0.913 123.714 122.820 -0.032 0.000 2.462 312 A HA 0.258 4.560 4.320 -0.031 0.000 0.261 312 A C 1.299 178.892 177.584 0.014 0.000 1.323 312 A CA -0.244 51.757 52.037 -0.059 0.000 0.913 312 A CB -0.433 18.495 19.000 -0.119 0.000 1.028 312 A HN 0.291 nan 8.150 nan 0.000 0.511 313 I N 0.385 121.001 120.570 0.076 0.000 2.163 313 I HA -0.173 3.979 4.170 -0.031 0.000 0.243 313 I C -0.581 175.595 176.117 0.098 0.000 1.085 313 I CA 1.430 62.806 61.300 0.127 0.000 1.347 313 I CB -0.977 37.182 38.000 0.265 0.000 1.044 313 I HN 0.202 nan 8.210 nan 0.000 0.408 314 P HA -0.160 nan 4.420 nan 0.000 0.216 314 P C 1.438 178.756 177.300 0.029 0.000 1.153 314 P CA 1.304 64.423 63.100 0.031 0.000 0.848 314 P CB 0.031 31.683 31.700 -0.079 0.000 0.787 315 Q N -0.945 118.881 119.800 0.042 0.000 2.079 315 Q HA -0.083 4.239 4.340 -0.031 0.000 0.200 315 Q C 2.098 178.082 176.000 -0.026 0.000 0.974 315 Q CA 1.309 57.119 55.803 0.012 0.000 0.840 315 Q CB -1.249 27.480 28.738 -0.015 0.000 0.898 315 Q HN 0.110 nan 8.270 nan 0.000 0.430 316 V N -0.792 119.113 119.914 -0.015 0.000 2.331 316 V HA -0.129 3.972 4.120 -0.031 0.000 0.242 316 V C 2.001 178.081 176.094 -0.023 0.000 1.034 316 V CA 1.133 63.421 62.300 -0.020 0.000 1.027 316 V CB -0.365 31.459 31.823 0.001 0.000 0.667 316 V HN 0.139 nan 8.190 nan 0.000 0.457 317 V N 1.154 121.064 119.914 -0.008 0.000 2.515 317 V HA -0.104 3.997 4.120 -0.031 0.000 0.250 317 V C 2.599 178.667 176.094 -0.044 0.000 1.058 317 V CA 1.905 64.194 62.300 -0.018 0.000 1.064 317 V CB -1.320 30.503 31.823 0.000 0.000 0.675 317 V HN 0.603 nan 8.190 nan 0.000 0.461 318 G N 0.015 108.794 108.800 -0.034 0.000 2.418 318 G HA2 -0.212 3.729 3.960 -0.031 0.000 0.217 318 G HA3 -0.212 3.729 3.960 -0.031 0.000 0.217 318 G C 1.769 176.617 174.900 -0.087 0.000 1.158 318 G CA 1.009 46.084 45.100 -0.041 0.000 0.771 318 G HN 0.592 nan 8.290 nan 0.000 0.545 319 A N 0.039 122.801 122.820 -0.097 0.000 1.933 319 A HA 0.091 4.392 4.320 -0.031 0.000 0.218 319 A C 2.598 180.111 177.584 -0.117 0.000 1.175 319 A CA 1.764 53.724 52.037 -0.128 0.000 0.628 319 A CB -0.564 18.359 19.000 -0.128 0.000 0.814 319 A HN 0.255 nan 8.150 nan 0.000 0.444 320 V N -0.173 119.682 119.914 -0.098 0.000 2.295 320 V HA -0.265 3.836 4.120 -0.031 0.000 0.246 320 V C 2.641 178.634 176.094 -0.167 0.000 1.049 320 V CA 2.256 64.502 62.300 -0.089 0.000 1.024 320 V CB -0.765 31.025 31.823 -0.055 0.000 0.648 320 V HN 0.534 nan 8.190 nan 0.000 0.447 321 R N -0.225 120.122 120.500 -0.255 0.000 2.083 321 R HA -0.188 4.133 4.340 -0.031 0.000 0.237 321 R C 2.148 177.941 176.300 -0.845 0.000 1.137 321 R CA 1.922 57.672 56.100 -0.583 0.000 0.951 321 R CB -0.496 29.482 30.300 -0.536 0.000 0.851 321 R HN 0.495 nan 8.270 nan 0.000 0.434 322 D N -0.430 119.718 120.400 -0.419 0.000 2.116 322 D HA -0.141 4.480 4.640 -0.031 0.000 0.193 322 D C 1.815 178.087 176.300 -0.046 0.000 0.998 322 D CA 1.743 55.654 54.000 -0.149 0.000 0.836 322 D CB -0.346 40.429 40.800 -0.042 0.000 0.951 322 D HN 0.218 nan 8.370 nan 0.000 0.449 323 T N 0.864 115.382 114.554 -0.060 0.000 2.746 323 T HA -0.067 4.264 4.350 -0.031 0.000 0.267 323 T C 2.218 176.990 174.700 0.120 0.000 1.039 323 T CA 0.587 62.723 62.100 0.060 0.000 1.142 323 T CB -0.257 68.638 68.868 0.045 0.000 0.866 323 T HN 0.145 nan 8.240 nan 0.000 0.444 324 L N -0.371 120.847 121.223 -0.008 0.000 2.093 324 L HA -0.080 4.241 4.340 -0.031 0.000 0.208 324 L C 2.517 179.491 176.870 0.172 0.000 1.085 324 L CA 1.270 56.136 54.840 0.043 0.000 0.755 324 L CB -0.723 41.314 42.059 -0.038 0.000 0.904 324 L HN 0.243 nan 8.230 nan 0.000 0.435 325 Y N -0.924 119.454 120.300 0.131 0.000 2.181 325 Y HA -0.256 4.275 4.550 -0.031 0.000 0.288 325 Y C 2.770 178.784 175.900 0.189 0.000 1.146 325 Y CA 1.086 59.264 58.100 0.129 0.000 1.164 325 Y CB -1.205 37.318 38.460 0.106 0.000 0.982 325 Y HN 0.280 nan 8.280 nan 0.000 0.515 326 H N -0.123 119.120 119.070 0.289 0.000 2.326 326 H HA -0.115 4.421 4.556 -0.032 0.000 0.301 326 H C 2.176 177.647 175.328 0.239 0.000 1.081 326 H CA 1.325 57.532 56.048 0.265 0.000 1.334 326 H CB 0.069 29.963 29.762 0.221 0.000 1.385 326 H HN 0.291 nan 8.280 nan 0.000 0.504 327 A N 1.509 124.429 122.820 0.167 0.000 1.902 327 A HA -0.193 4.109 4.320 -0.031 0.000 0.217 327 A C 2.574 180.186 177.584 0.047 0.000 1.181 327 A CA 1.596 53.672 52.037 0.065 0.000 0.623 327 A CB -0.720 18.355 19.000 0.126 0.000 0.818 327 A HN 0.476 nan 8.150 nan 0.000 0.443 328 R N -1.287 119.287 120.500 0.122 0.000 2.081 328 R HA -0.192 4.129 4.340 -0.031 0.000 0.235 328 R C 2.220 178.593 176.300 0.122 0.000 1.131 328 R CA 1.725 57.896 56.100 0.118 0.000 0.960 328 R CB -0.540 29.856 30.300 0.160 0.000 0.856 328 R HN 0.845 nan 8.270 nan 0.000 0.436 329 H N 0.211 119.295 119.070 0.023 0.000 2.353 329 H HA -0.089 4.448 4.556 -0.032 0.000 0.300 329 H C 1.376 176.680 175.328 -0.041 0.000 1.090 329 H CA 1.280 57.328 56.048 -0.001 0.000 1.327 329 H CB 0.320 30.093 29.762 0.018 0.000 1.383 329 H HN 0.050 nan 8.280 nan 0.000 0.508 330 K N 0.726 120.990 120.400 -0.225 0.000 2.097 330 K HA -0.099 4.203 4.320 -0.031 0.000 0.206 330 K C 2.465 178.980 176.600 -0.142 0.000 1.049 330 K CA 0.619 56.739 56.287 -0.278 0.000 0.933 330 K CB -0.309 32.034 32.500 -0.261 0.000 0.717 330 K HN 0.377 nan 8.250 nan 0.000 0.442 331 L N 0.281 121.462 121.223 -0.070 0.000 2.141 331 L HA -0.083 4.238 4.340 -0.031 0.000 0.209 331 L C 2.771 179.630 176.870 -0.018 0.000 1.094 331 L CA 0.912 55.734 54.840 -0.031 0.000 0.763 331 L CB -0.280 41.777 42.059 -0.003 0.000 0.908 331 L HN 0.144 nan 8.230 nan 0.000 0.437 332 R N 0.612 121.112 120.500 0.000 0.000 2.075 332 R HA -0.139 4.182 4.340 -0.031 0.000 0.232 332 R C 2.307 178.608 176.300 0.001 0.000 1.126 332 R CA 1.427 57.541 56.100 0.023 0.000 0.963 332 R CB -0.186 30.160 30.300 0.076 0.000 0.858 332 R HN 0.277 nan 8.270 nan 0.000 0.435 333 I N 0.501 121.044 120.570 -0.045 0.000 2.226 333 I HA -0.235 3.916 4.170 -0.031 0.000 0.245 333 I C 2.361 178.454 176.117 -0.039 0.000 1.100 333 I CA 1.294 62.560 61.300 -0.056 0.000 1.374 333 I CB -0.266 37.651 38.000 -0.139 0.000 1.057 333 I HN 0.234 nan 8.210 nan 0.000 0.413 334 E N 1.450 121.622 120.200 -0.046 0.000 2.051 334 E HA -0.182 4.149 4.350 -0.031 0.000 0.192 334 E C 2.160 178.753 176.600 -0.011 0.000 0.991 334 E CA 1.378 57.761 56.400 -0.029 0.000 0.799 334 E CB -0.323 29.357 29.700 -0.033 0.000 0.748 334 E HN 0.373 nan 8.360 nan 0.000 0.449 335 L N 0.599 121.816 121.223 -0.009 0.000 2.043 335 L HA -0.172 4.150 4.340 -0.031 0.000 0.212 335 L C 1.108 177.981 176.870 0.006 0.000 1.075 335 L CA 1.177 56.016 54.840 -0.002 0.000 0.752 335 L CB -0.356 41.704 42.059 0.001 0.000 0.891 335 L HN 0.144 nan 8.230 nan 0.000 0.432 336 N N 0.243 118.949 118.700 0.009 0.000 2.575 336 N HA 0.069 4.790 4.740 -0.031 0.000 0.275 336 N C -0.207 175.318 175.510 0.025 0.000 1.202 336 N CA 0.114 53.175 53.050 0.018 0.000 0.945 336 N CB 0.435 38.935 38.487 0.021 0.000 1.247 336 N HN 0.268 nan 8.380 nan 0.000 0.510 337 S N -1.277 114.436 115.700 0.022 0.000 2.638 337 S HA 0.706 5.157 4.470 -0.031 0.000 0.302 337 S C -0.144 174.480 174.600 0.040 0.000 1.096 337 S CA -0.934 57.282 58.200 0.026 0.000 0.953 337 S CB 2.414 65.617 63.200 0.006 0.000 1.107 337 S HN 0.098 nan 8.310 nan 0.000 0.503 338 A N 2.640 125.490 122.820 0.050 0.000 3.078 338 A HA 0.309 4.610 4.320 -0.031 0.000 0.279 338 A C 0.531 178.146 177.584 0.051 0.000 1.594 338 A CA -0.924 51.148 52.037 0.059 0.000 1.301 338 A CB -1.096 17.944 19.000 0.067 0.000 1.162 338 A HN 0.749 nan 8.150 nan 0.000 0.585 339 N N 1.589 120.319 118.700 0.050 0.000 2.739 339 N HA 0.205 4.926 4.740 -0.031 0.000 0.266 339 N C -0.995 174.579 175.510 0.108 0.000 1.168 339 N CA 0.007 53.097 53.050 0.068 0.000 1.055 339 N CB 0.735 39.254 38.487 0.053 0.000 1.393 339 N HN 0.527 nan 8.380 nan 0.000 0.514 340 D N 0.630 121.112 120.400 0.136 0.000 2.639 340 D HA 0.450 5.071 4.640 -0.031 0.000 0.271 340 D C -1.840 174.595 176.300 0.225 0.000 1.254 340 D CA -0.563 53.535 54.000 0.164 0.000 0.810 340 D CB 1.629 42.476 40.800 0.079 0.000 1.351 340 D HN 0.365 nan 8.370 nan 0.000 0.427 341 N N 0.131 118.975 118.700 0.240 0.000 2.516 341 N HA 0.436 5.157 4.740 -0.031 0.000 0.268 341 N C -2.950 172.668 175.510 0.180 0.000 1.096 341 N CA -1.036 52.159 53.050 0.242 0.000 0.954 341 N CB 2.747 41.490 38.487 0.426 0.000 1.676 341 N HN 0.116 nan 8.380 nan 0.000 0.490 342 P HA 0.323 nan 4.420 nan 0.000 0.277 342 P C -0.941 176.372 177.300 0.021 0.000 1.271 342 P CA -0.383 62.656 63.100 -0.101 0.000 0.795 342 P CB 1.311 32.713 31.700 -0.496 0.000 1.101 343 L N -0.130 121.165 121.223 0.120 0.000 2.362 343 L HA 0.480 4.801 4.340 -0.031 0.000 0.271 343 L C -0.053 176.770 176.870 -0.078 0.000 1.002 343 L CA -1.009 53.828 54.840 -0.006 0.000 0.818 343 L CB 1.644 43.664 42.059 -0.065 0.000 1.298 343 L HN 0.282 nan 8.230 nan 0.000 0.420 344 F N 2.573 122.318 119.950 -0.341 0.000 2.408 344 F HA 0.571 5.079 4.527 -0.032 0.000 0.344 344 F C -1.095 174.460 175.800 -0.407 0.000 1.112 344 F CA -0.428 57.445 58.000 -0.212 0.000 1.096 344 F CB 0.704 39.639 39.000 -0.110 0.000 1.129 344 F HN 0.099 nan 8.300 nan 0.000 0.486 345 F N 4.681 124.223 119.950 -0.680 0.000 2.553 345 F HA 0.229 4.737 4.527 -0.032 0.000 0.335 345 F C -0.014 175.299 175.800 -0.811 0.000 1.148 345 F CA -1.045 56.670 58.000 -0.475 0.000 0.963 345 F CB 1.243 40.095 39.000 -0.247 0.000 1.217 345 F HN 0.480 nan 8.300 nan 0.000 0.441 346 E N 1.941 121.825 120.200 -0.526 0.000 2.568 346 E HA 0.260 4.591 4.350 -0.031 0.000 0.262 346 E C 1.314 177.857 176.600 -0.095 0.000 0.961 346 E CA 1.366 57.610 56.400 -0.261 0.000 0.945 346 E CB 0.397 30.151 29.700 0.089 0.000 0.924 346 E HN 0.972 nan 8.360 nan 0.000 0.467 347 G N 3.543 112.329 108.800 -0.024 0.000 2.168 347 G HA2 -0.315 3.626 3.960 -0.031 0.000 0.263 347 G HA3 -0.315 3.626 3.960 -0.031 0.000 0.263 347 G C -0.074 174.825 174.900 -0.000 0.000 0.977 347 G CA 0.808 45.916 45.100 0.014 0.000 0.659 347 G HN 0.523 nan 8.290 nan 0.000 0.533 348 K N -0.435 119.945 120.400 -0.033 0.000 2.400 348 K HA 0.562 4.863 4.320 -0.031 0.000 0.246 348 K C -0.231 176.404 176.600 0.057 0.000 0.995 348 K CA -1.068 55.227 56.287 0.013 0.000 0.840 348 K CB 1.623 34.138 32.500 0.025 0.000 1.293 348 K HN 0.072 nan 8.250 nan 0.000 0.445 349 E N 1.403 121.664 120.200 0.101 0.000 2.404 349 E HA 0.046 4.377 4.350 -0.031 0.000 0.261 349 E C -0.274 176.468 176.600 0.237 0.000 1.074 349 E CA -0.277 56.211 56.400 0.147 0.000 0.917 349 E CB 0.448 30.221 29.700 0.121 0.000 0.965 349 E HN 0.268 nan 8.360 nan 0.000 0.433 350 I N 4.122 124.872 120.570 0.300 0.000 2.683 350 I HA -0.077 4.075 4.170 -0.031 0.000 0.286 350 I C 0.461 176.868 176.117 0.483 0.000 1.175 350 I CA 0.273 61.815 61.300 0.403 0.000 1.429 350 I CB -0.804 37.491 38.000 0.491 0.000 1.371 350 I HN 0.501 nan 8.210 nan 0.000 0.569 351 F N 7.489 127.611 119.950 0.286 0.000 2.471 351 F HA 0.186 4.694 4.527 -0.032 0.000 0.365 351 F C 0.109 176.007 175.800 0.164 0.000 1.095 351 F CA -0.183 57.982 58.000 0.275 0.000 1.174 351 F CB -0.006 39.214 39.000 0.366 0.000 1.105 351 F HN 0.358 nan 8.300 nan 0.000 0.535 352 H N 4.953 123.717 119.070 -0.509 0.000 2.691 352 H HA 0.522 5.059 4.556 -0.031 0.000 0.281 352 H C 0.460 175.350 175.328 -0.731 0.000 1.121 352 H CA -0.156 55.642 56.048 -0.417 0.000 1.254 352 H CB 0.783 30.445 29.762 -0.166 0.000 1.390 352 H HN 0.777 nan 8.280 nan 0.000 0.491 353 G N 0.655 109.005 108.800 -0.749 0.000 3.291 353 G HA2 0.590 4.531 3.960 -0.031 0.000 0.173 353 G HA3 0.590 4.531 3.960 -0.031 0.000 0.173 353 G C -0.728 174.045 174.900 -0.211 0.000 1.099 353 G CA -0.231 44.548 45.100 -0.535 0.000 0.794 353 G HN 0.507 nan 8.290 nan 0.000 0.651 354 A N -0.245 122.408 122.820 -0.277 0.000 3.106 354 A HA 0.419 4.720 4.320 -0.031 0.000 0.227 354 A C 0.488 177.579 177.584 -0.820 0.000 0.920 354 A CA -0.303 51.208 52.037 -0.878 0.000 1.088 354 A CB -0.140 18.528 19.000 -0.553 0.000 1.233 354 A HN 0.254 nan 8.150 nan 0.000 0.503 355 N N 0.116 118.585 118.700 -0.386 0.000 2.571 355 N HA -0.019 4.702 4.740 -0.031 0.000 0.189 355 N C 0.994 176.423 175.510 -0.135 0.000 1.154 355 N CA 0.926 53.884 53.050 -0.154 0.000 0.907 355 N CB -0.355 38.160 38.487 0.046 0.000 0.977 355 N HN 0.780 nan 8.380 nan 0.000 0.449 356 F N -1.147 118.862 119.950 0.099 0.000 2.743 356 F HA 0.213 4.721 4.527 -0.032 0.000 0.297 356 F C 0.927 176.753 175.800 0.043 0.000 1.131 356 F CA -0.358 57.676 58.000 0.057 0.000 1.426 356 F CB -0.998 38.029 39.000 0.045 0.000 1.116 356 F HN -0.027 nan 8.300 nan 0.000 0.583 357 H N 2.036 120.979 119.070 -0.212 0.000 2.955 357 H HA 0.231 4.769 4.556 -0.030 0.000 0.290 357 H C 1.207 176.508 175.328 -0.045 0.000 1.047 357 H CA 0.195 56.218 56.048 -0.041 0.000 1.484 357 H CB 1.338 30.992 29.762 -0.179 0.000 1.501 357 H HN 0.380 nan 8.280 nan 0.000 0.521 358 G N 3.808 112.621 108.800 0.022 0.000 3.124 358 G HA2 -0.142 3.799 3.960 -0.031 0.000 0.212 358 G HA3 -0.142 3.799 3.960 -0.031 0.000 0.212 358 G C 1.344 176.244 174.900 -0.001 0.000 1.181 358 G CA -0.151 44.958 45.100 0.015 0.000 0.803 358 G HN 0.520 nan 8.290 nan 0.000 0.529 359 Q N 1.416 121.285 119.800 0.115 0.000 2.133 359 Q HA -0.125 4.196 4.340 -0.031 0.000 0.208 359 Q C 0.289 176.116 176.000 -0.287 0.000 0.991 359 Q CA 2.260 57.942 55.803 -0.201 0.000 0.867 359 Q CB -0.577 27.991 28.738 -0.283 0.000 0.911 359 Q HN 0.422 nan 8.270 nan 0.000 0.417 360 P HA -0.152 nan 4.420 nan 0.000 0.217 360 P C 0.853 178.135 177.300 -0.030 0.000 1.150 360 P CA 1.149 64.235 63.100 -0.023 0.000 0.832 360 P CB -0.018 31.674 31.700 -0.014 0.000 0.787 361 I N -0.167 120.369 120.570 -0.058 0.000 2.480 361 I HA -0.019 4.132 4.170 -0.031 0.000 0.251 361 I C 2.583 178.653 176.117 -0.077 0.000 1.124 361 I CA 0.679 61.945 61.300 -0.056 0.000 1.444 361 I CB -1.962 36.013 38.000 -0.041 0.000 1.098 361 I HN -0.104 nan 8.210 nan 0.000 0.428 362 A N 1.244 123.999 122.820 -0.107 0.000 1.883 362 A HA -0.223 4.078 4.320 -0.031 0.000 0.217 362 A C 2.157 179.675 177.584 -0.110 0.000 1.186 362 A CA 1.583 53.551 52.037 -0.115 0.000 0.624 362 A CB -0.884 18.018 19.000 -0.164 0.000 0.822 362 A HN 0.250 nan 8.150 nan 0.000 0.444 363 F N 0.071 119.861 119.950 -0.267 0.000 2.075 363 F HA -0.086 4.421 4.527 -0.033 0.000 0.297 363 F C 2.914 178.041 175.800 -1.122 0.000 1.113 363 F CA 0.382 58.002 58.000 -0.632 0.000 1.218 363 F CB -1.295 37.483 39.000 -0.371 0.000 0.984 363 F HN 0.285 nan 8.300 nan 0.000 0.472 364 A N -0.023 122.596 122.820 -0.335 0.000 1.873 364 A HA -0.253 4.048 4.320 -0.031 0.000 0.218 364 A C 2.230 179.732 177.584 -0.137 0.000 1.193 364 A CA 2.207 54.133 52.037 -0.184 0.000 0.629 364 A CB -0.690 18.285 19.000 -0.042 0.000 0.826 364 A HN 0.233 nan 8.150 nan 0.000 0.447 365 M N -0.456 119.080 119.600 -0.106 0.000 2.229 365 M HA -0.082 4.379 4.480 -0.031 0.000 0.264 365 M C 1.422 177.711 176.300 -0.017 0.000 1.063 365 M CA 1.234 56.517 55.300 -0.029 0.000 1.114 365 M CB -1.629 30.964 32.600 -0.012 0.000 1.387 365 M HN 0.322 nan 8.290 nan 0.000 0.420 366 D N 0.149 120.495 120.400 -0.090 0.000 2.144 366 D HA -0.116 4.505 4.640 -0.031 0.000 0.199 366 D C 1.831 178.230 176.300 0.164 0.000 0.984 366 D CA 1.102 55.108 54.000 0.011 0.000 0.834 366 D CB -0.144 40.662 40.800 0.010 0.000 0.955 366 D HN 0.225 nan 8.370 nan 0.000 0.465 367 F N 0.226 120.235 119.950 0.098 0.000 2.186 367 F HA -0.051 4.457 4.527 -0.031 0.000 0.299 367 F C 2.475 178.310 175.800 0.058 0.000 1.090 367 F CA 0.087 58.128 58.000 0.068 0.000 1.307 367 F CB -1.219 37.832 39.000 0.085 0.000 1.019 367 F HN -0.132 nan 8.300 nan 0.000 0.489 368 V N -0.324 119.726 119.914 0.227 0.000 2.343 368 V HA -0.271 3.830 4.120 -0.031 0.000 0.247 368 V C 2.301 178.460 176.094 0.108 0.000 1.051 368 V CA 2.300 64.684 62.300 0.141 0.000 1.036 368 V CB -1.155 30.729 31.823 0.101 0.000 0.654 368 V HN 0.350 nan 8.190 nan 0.000 0.451 369 T N 0.318 114.935 114.554 0.105 0.000 2.684 369 T HA -0.158 4.173 4.350 -0.031 0.000 0.267 369 T C 1.815 176.567 174.700 0.086 0.000 1.036 369 T CA 1.876 64.028 62.100 0.085 0.000 1.148 369 T CB -0.274 68.642 68.868 0.080 0.000 0.863 369 T HN 0.345 nan 8.240 nan 0.000 0.436 370 I N 1.152 121.789 120.570 0.111 0.000 2.179 370 I HA -0.177 3.974 4.170 -0.031 0.000 0.242 370 I C 2.922 179.076 176.117 0.062 0.000 1.088 370 I CA 1.135 62.489 61.300 0.088 0.000 1.357 370 I CB -0.493 37.571 38.000 0.106 0.000 1.051 370 I HN 0.194 nan 8.210 nan 0.000 0.409 371 A N 0.947 123.807 122.820 0.068 0.000 1.883 371 A HA -0.175 4.126 4.320 -0.031 0.000 0.217 371 A C 2.291 179.894 177.584 0.031 0.000 1.186 371 A CA 1.501 53.560 52.037 0.037 0.000 0.624 371 A CB -0.922 18.100 19.000 0.037 0.000 0.822 371 A HN 0.394 nan 8.150 nan 0.000 0.444 372 L N -0.763 120.486 121.223 0.043 0.000 2.141 372 L HA -0.142 4.179 4.340 -0.031 0.000 0.209 372 L C 2.735 179.628 176.870 0.038 0.000 1.094 372 L CA 1.572 56.435 54.840 0.039 0.000 0.763 372 L CB -0.927 41.159 42.059 0.046 0.000 0.908 372 L HN 0.359 nan 8.230 nan 0.000 0.437 373 T N -1.046 113.532 114.554 0.041 0.000 2.684 373 T HA -0.287 4.044 4.350 -0.031 0.000 0.267 373 T C 1.847 176.566 174.700 0.032 0.000 1.036 373 T CA 1.602 63.724 62.100 0.038 0.000 1.148 373 T CB -0.156 68.736 68.868 0.040 0.000 0.863 373 T HN 0.197 nan 8.240 nan 0.000 0.436 374 Q N 0.478 120.294 119.800 0.027 0.000 2.167 374 Q HA 0.018 4.339 4.340 -0.031 0.000 0.202 374 Q C 2.042 178.055 176.000 0.021 0.000 0.970 374 Q CA 0.902 56.717 55.803 0.021 0.000 0.855 374 Q CB -0.621 28.124 28.738 0.012 0.000 0.911 374 Q HN 0.416 nan 8.270 nan 0.000 0.438 375 L N -0.462 120.773 121.223 0.021 0.000 2.046 375 L HA 0.003 4.325 4.340 -0.031 0.000 0.208 375 L C 1.975 178.861 176.870 0.026 0.000 1.077 375 L CA 2.378 57.231 54.840 0.021 0.000 0.747 375 L CB -1.049 41.023 42.059 0.022 0.000 0.896 375 L HN 0.305 nan 8.230 nan 0.000 0.432 376 G N -1.466 107.352 108.800 0.031 0.000 2.408 376 G HA2 -0.161 3.780 3.960 -0.031 0.000 0.217 376 G HA3 -0.161 3.780 3.960 -0.031 0.000 0.217 376 G C 1.548 176.467 174.900 0.031 0.000 1.150 376 G CA 0.873 45.993 45.100 0.034 0.000 0.776 376 G HN 0.310 nan 8.290 nan 0.000 0.542 377 V N 0.792 120.724 119.914 0.030 0.000 2.332 377 V HA -0.174 3.928 4.120 -0.031 0.000 0.248 377 V C 2.698 178.810 176.094 0.029 0.000 1.055 377 V CA 1.774 64.092 62.300 0.030 0.000 1.038 377 V CB -0.471 31.370 31.823 0.030 0.000 0.651 377 V HN 0.370 nan 8.190 nan 0.000 0.450 378 L N 0.800 122.040 121.223 0.029 0.000 2.017 378 L HA -0.073 4.248 4.340 -0.031 0.000 0.208 378 L C 2.454 179.336 176.870 0.020 0.000 1.073 378 L CA 2.430 57.287 54.840 0.030 0.000 0.745 378 L CB -1.017 41.060 42.059 0.030 0.000 0.894 378 L HN 0.215 nan 8.230 nan 0.000 0.432 379 A N -0.918 121.912 122.820 0.017 0.000 1.902 379 A HA -0.235 4.066 4.320 -0.031 0.000 0.217 379 A C 2.326 179.913 177.584 0.007 0.000 1.181 379 A CA 1.751 53.791 52.037 0.006 0.000 0.623 379 A CB -0.783 18.225 19.000 0.014 0.000 0.818 379 A HN 0.575 nan 8.150 nan 0.000 0.443 380 E N -0.124 120.088 120.200 0.019 0.000 2.110 380 E HA -0.193 4.138 4.350 -0.031 0.000 0.193 380 E C 2.021 178.630 176.600 0.014 0.000 0.988 380 E CA 0.819 57.233 56.400 0.023 0.000 0.804 380 E CB -0.186 29.535 29.700 0.035 0.000 0.745 380 E HN 0.368 nan 8.360 nan 0.000 0.458 381 R N 0.248 120.756 120.500 0.012 0.000 2.148 381 R HA -0.023 4.298 4.340 -0.031 0.000 0.223 381 R C 2.297 178.587 176.300 -0.016 0.000 1.088 381 R CA 0.715 56.816 56.100 0.002 0.000 0.985 381 R CB -0.303 30.004 30.300 0.011 0.000 0.880 381 R HN 0.392 nan 8.270 nan 0.000 0.451 382 Q N -0.103 119.688 119.800 -0.015 0.000 2.172 382 Q HA 0.011 4.332 4.340 -0.031 0.000 0.200 382 Q C 2.091 178.056 176.000 -0.059 0.000 0.964 382 Q CA 0.879 56.663 55.803 -0.032 0.000 0.855 382 Q CB 0.016 28.736 28.738 -0.029 0.000 0.918 382 Q HN 0.291 nan 8.270 nan 0.000 0.444 383 I N 0.851 121.393 120.570 -0.047 0.000 2.202 383 I HA -0.257 3.894 4.170 -0.031 0.000 0.242 383 I C 2.142 178.220 176.117 -0.065 0.000 1.091 383 I CA 1.021 62.288 61.300 -0.057 0.000 1.368 383 I CB -0.219 37.770 38.000 -0.017 0.000 1.058 383 I HN 0.222 nan 8.210 nan 0.000 0.410 384 N N 0.966 119.641 118.700 -0.042 0.000 2.149 384 N HA -0.254 4.468 4.740 -0.031 0.000 0.188 384 N C 1.916 177.359 175.510 -0.113 0.000 1.019 384 N CA 1.338 54.358 53.050 -0.049 0.000 0.857 384 N CB -0.047 38.428 38.487 -0.019 0.000 0.997 384 N HN 0.042 nan 8.380 nan 0.000 0.426 385 R N -0.005 120.423 120.500 -0.119 0.000 2.073 385 R HA -0.073 4.248 4.340 -0.031 0.000 0.234 385 R C 1.987 178.148 176.300 -0.232 0.000 1.134 385 R CA 1.837 57.833 56.100 -0.174 0.000 0.952 385 R CB -0.591 29.628 30.300 -0.135 0.000 0.850 385 R HN 0.310 nan 8.270 nan 0.000 0.433 386 V N -1.688 118.110 119.914 -0.193 0.000 3.041 386 V HA 0.041 4.142 4.120 -0.031 0.000 0.260 386 V C 1.850 177.796 176.094 -0.245 0.000 1.105 386 V CA 1.162 63.336 62.300 -0.209 0.000 1.125 386 V CB -0.437 31.281 31.823 -0.175 0.000 0.730 386 V HN 0.205 nan 8.190 nan 0.000 0.479 387 L N 0.201 121.271 121.223 -0.253 0.000 2.307 387 L HA 0.209 4.530 4.340 -0.031 0.000 0.211 387 L C 1.188 177.674 176.870 -0.641 0.000 1.099 387 L CA 0.443 55.075 54.840 -0.346 0.000 0.816 387 L CB -0.367 41.592 42.059 -0.168 0.000 0.952 387 L HN 0.354 nan 8.230 nan 0.000 0.455 388 N N 1.395 119.813 118.700 -0.470 0.000 2.401 388 N HA 0.011 4.732 4.740 -0.031 0.000 0.255 388 N C 1.212 176.468 175.510 -0.423 0.000 1.110 388 N CA -0.075 52.687 53.050 -0.480 0.000 0.949 388 N CB 1.089 39.412 38.487 -0.273 0.000 1.110 388 N HN 0.227 nan 8.380 nan 0.000 0.490 389 R N 3.254 123.464 120.500 -0.484 0.000 2.127 389 R HA -0.134 4.187 4.340 -0.031 0.000 0.238 389 R C 0.766 176.922 176.300 -0.240 0.000 1.134 389 R CA 1.484 57.374 56.100 -0.349 0.000 0.975 389 R CB -0.559 29.542 30.300 -0.332 0.000 0.865 389 R HN 0.654 nan 8.270 nan 0.000 0.447 390 H N 0.056 119.022 119.070 -0.174 0.000 2.524 390 H HA 0.095 4.633 4.556 -0.031 0.000 0.282 390 H C 1.410 176.609 175.328 -0.215 0.000 1.016 390 H CA 1.036 57.001 56.048 -0.138 0.000 1.270 390 H CB 0.228 29.931 29.762 -0.098 0.000 1.394 390 H HN 0.192 nan 8.280 nan 0.000 0.568 391 L N -0.731 120.362 121.223 -0.217 0.000 2.749 391 L HA 0.083 4.405 4.340 -0.031 0.000 0.242 391 L C 2.076 178.457 176.870 -0.816 0.000 1.103 391 L CA 0.229 54.801 54.840 -0.447 0.000 0.906 391 L CB 0.295 42.155 42.059 -0.332 0.000 1.228 391 L HN 0.146 nan 8.230 nan 0.000 0.517 392 S N -0.870 114.498 115.700 -0.554 0.000 2.481 392 S HA -0.142 4.310 4.470 -0.031 0.000 0.231 392 S C 0.235 174.604 174.600 -0.386 0.000 0.996 392 S CA 0.076 57.983 58.200 -0.489 0.000 0.942 392 S CB -0.448 62.586 63.200 -0.277 0.000 0.768 392 S HN 0.405 nan 8.310 nan 0.000 0.520 393 Y N 0.630 120.883 120.300 -0.080 0.000 3.027 393 Y HA 0.031 4.562 4.550 -0.031 0.000 0.146 393 Y C 1.372 177.252 175.900 -0.034 0.000 1.924 393 Y CA 0.159 58.227 58.100 -0.052 0.000 1.039 393 Y CB -2.153 36.275 38.460 -0.054 0.000 1.555 393 Y HN 0.563 nan 8.280 nan 0.000 0.371 394 G N -1.211 107.635 108.800 0.077 0.000 2.253 394 G HA2 -0.335 3.606 3.960 -0.031 0.000 0.251 394 G HA3 -0.335 3.606 3.960 -0.031 0.000 0.251 394 G C 0.322 175.226 174.900 0.006 0.000 0.998 394 G CA -0.042 45.085 45.100 0.045 0.000 0.621 394 G HN 0.586 nan 8.290 nan 0.000 0.524 395 L N 3.208 124.419 121.223 -0.019 0.000 2.461 395 L HA 0.344 4.666 4.340 -0.031 0.000 0.272 395 L C -1.020 175.811 176.870 -0.065 0.000 1.197 395 L CA -1.601 53.212 54.840 -0.044 0.000 0.836 395 L CB 0.338 42.354 42.059 -0.072 0.000 1.105 395 L HN 0.084 nan 8.230 nan 0.000 0.477 396 P HA 0.017 nan 4.420 nan 0.000 0.271 396 P C -0.904 176.352 177.300 -0.075 0.000 1.218 396 P CA -0.519 62.559 63.100 -0.036 0.000 0.780 396 P CB 0.382 32.083 31.700 0.002 0.000 0.901 397 E N 2.849 123.002 120.200 -0.078 0.000 2.558 397 E HA -0.130 4.202 4.350 -0.031 0.000 0.255 397 E C -0.260 176.335 176.600 -0.008 0.000 0.968 397 E CA -0.111 56.191 56.400 -0.164 0.000 0.939 397 E CB -0.427 29.258 29.700 -0.026 0.000 0.921 397 E HN 0.451 nan 8.360 nan 0.000 0.477 398 F N 1.383 121.312 119.950 -0.034 0.000 3.100 398 F HA -0.277 4.230 4.527 -0.032 0.000 0.284 398 F C 0.960 176.790 175.800 0.050 0.000 0.875 398 F CA 0.836 58.839 58.000 0.005 0.000 1.039 398 F CB -1.948 37.065 39.000 0.022 0.000 1.111 398 F HN 0.588 nan 8.300 nan 0.000 0.575 399 L N -2.530 118.730 121.223 0.062 0.000 3.843 399 L HA -0.279 4.042 4.340 -0.031 0.000 0.411 399 L C 0.161 177.119 176.870 0.146 0.000 1.205 399 L CA 0.080 54.953 54.840 0.054 0.000 0.945 399 L CB -1.997 40.030 42.059 -0.053 0.000 1.929 399 L HN 0.085 nan 8.230 nan 0.000 0.934 400 V N 0.561 120.564 119.914 0.149 0.000 2.508 400 V HA 0.057 4.158 4.120 -0.031 0.000 0.281 400 V C 1.593 177.726 176.094 0.065 0.000 1.041 400 V CA 0.891 63.267 62.300 0.127 0.000 1.016 400 V CB 1.557 33.465 31.823 0.143 0.000 0.984 400 V HN 0.550 nan 8.190 nan 0.000 0.478 401 S N 3.226 118.944 115.700 0.030 0.000 2.458 401 S HA 0.112 4.563 4.470 -0.031 0.000 0.223 401 S C 1.190 175.776 174.600 -0.023 0.000 1.019 401 S CA 0.348 58.552 58.200 0.006 0.000 0.937 401 S CB 0.157 63.359 63.200 0.004 0.000 0.788 401 S HN 0.817 nan 8.310 nan 0.000 0.511 402 G N 1.291 110.048 108.800 -0.071 0.000 3.329 402 G HA2 0.352 4.293 3.960 -0.031 0.000 0.180 402 G HA3 0.352 4.293 3.960 -0.031 0.000 0.180 402 G C -1.011 173.904 174.900 0.024 0.000 1.640 402 G CA -0.460 44.601 45.100 -0.066 0.000 1.018 402 G HN 0.292 nan 8.290 nan 0.000 0.581 403 D N 2.410 122.869 120.400 0.098 0.000 2.396 403 D HA 0.297 4.918 4.640 -0.031 0.000 0.225 403 D C -2.030 174.366 176.300 0.161 0.000 1.121 403 D CA -0.866 53.210 54.000 0.126 0.000 0.853 403 D CB 1.556 42.430 40.800 0.124 0.000 1.043 403 D HN 0.054 nan 8.370 nan 0.000 0.500 404 P HA 0.005 nan 4.420 nan 0.000 0.269 404 P C 0.986 178.337 177.300 0.085 0.000 1.217 404 P CA 0.369 63.540 63.100 0.118 0.000 0.783 404 P CB 1.101 32.867 31.700 0.110 0.000 0.898 405 G N 1.147 109.981 108.800 0.058 0.000 4.526 405 G HA2 -0.367 3.575 3.960 -0.031 0.000 0.217 405 G HA3 -0.367 3.575 3.960 -0.031 0.000 0.217 405 G C 0.823 175.715 174.900 -0.013 0.000 1.428 405 G CA 0.379 45.489 45.100 0.017 0.000 0.928 405 G HN 0.578 nan 8.290 nan 0.000 0.639 406 L N 2.002 123.219 121.223 -0.010 0.000 2.083 406 L HA 0.279 4.600 4.340 -0.031 0.000 0.209 406 L C 1.129 177.853 176.870 -0.244 0.000 1.083 406 L CA 2.330 57.105 54.840 -0.108 0.000 0.752 406 L CB -0.514 41.502 42.059 -0.071 0.000 0.899 406 L HN 0.618 nan 8.230 nan 0.000 0.433 407 H N -2.265 116.807 119.070 0.003 0.000 2.524 407 H HA 0.421 4.958 4.556 -0.032 0.000 0.353 407 H C 0.786 176.109 175.328 -0.008 0.000 1.136 407 H CA 0.019 56.066 56.048 -0.001 0.000 1.193 407 H CB 1.684 31.455 29.762 0.015 0.000 1.558 407 H HN -0.143 nan 8.280 nan 0.000 0.515 408 S N 1.312 117.059 115.700 0.078 0.000 2.502 408 S HA 0.197 4.649 4.470 -0.031 0.000 0.215 408 S C 1.538 176.162 174.600 0.041 0.000 1.009 408 S CA 0.304 58.494 58.200 -0.016 0.000 0.908 408 S CB 0.390 63.524 63.200 -0.110 0.000 0.801 408 S HN 1.081 nan 8.310 nan 0.000 0.505 409 G N 2.080 110.933 108.800 0.087 0.000 2.620 409 G HA2 -0.350 3.591 3.960 -0.031 0.000 0.315 409 G HA3 -0.350 3.591 3.960 -0.031 0.000 0.315 409 G C 0.430 175.346 174.900 0.026 0.000 1.179 409 G CA 0.739 45.912 45.100 0.122 0.000 0.971 409 G HN 0.462 nan 8.290 nan 0.000 0.544 410 F N 3.122 123.097 119.950 0.041 0.000 2.727 410 F HA 0.494 5.002 4.527 -0.033 0.000 0.302 410 F C 2.660 178.424 175.800 -0.060 0.000 1.097 410 F CA 1.060 59.059 58.000 -0.002 0.000 1.330 410 F CB 0.223 39.238 39.000 0.024 0.000 1.084 410 F HN 0.574 nan 8.300 nan 0.000 0.578 411 A N 0.527 123.365 122.820 0.030 0.000 1.903 411 A HA -0.232 4.069 4.320 -0.031 0.000 0.219 411 A C 2.551 179.792 177.584 -0.571 0.000 1.191 411 A CA 2.225 54.093 52.037 -0.281 0.000 0.638 411 A CB -1.441 17.186 19.000 -0.621 0.000 0.823 411 A HN 0.418 nan 8.150 nan 0.000 0.451 412 G N -1.338 107.202 108.800 -0.432 0.000 2.448 412 G HA2 0.145 4.086 3.960 -0.031 0.000 0.218 412 G HA3 0.145 4.086 3.960 -0.031 0.000 0.218 412 G C 1.581 176.229 174.900 -0.419 0.000 1.135 412 G CA 1.138 45.954 45.100 -0.473 0.000 0.784 412 G HN 0.851 nan 8.290 nan 0.000 0.543 413 A N 0.289 122.943 122.820 -0.277 0.000 2.066 413 A HA 0.007 4.309 4.320 -0.031 0.000 0.218 413 A C 2.178 179.711 177.584 -0.084 0.000 1.157 413 A CA 1.742 53.696 52.037 -0.139 0.000 0.670 413 A CB -0.321 18.633 19.000 -0.077 0.000 0.804 413 A HN 0.477 nan 8.150 nan 0.000 0.453 414 Q N -1.325 118.367 119.800 -0.181 0.000 2.167 414 Q HA -0.216 4.106 4.340 -0.031 0.000 0.202 414 Q C 1.558 177.562 176.000 0.006 0.000 0.970 414 Q CA 1.691 57.445 55.803 -0.081 0.000 0.855 414 Q CB -0.315 28.381 28.738 -0.070 0.000 0.911 414 Q HN 0.687 nan 8.270 nan 0.000 0.438 415 Y N 1.043 121.366 120.300 0.040 0.000 2.114 415 Y HA -0.164 4.366 4.550 -0.034 0.000 0.282 415 Y C -0.481 175.427 175.900 0.014 0.000 1.165 415 Y CA 1.092 59.203 58.100 0.018 0.000 1.148 415 Y CB -2.077 36.381 38.460 -0.003 0.000 0.972 415 Y HN 0.354 nan 8.280 nan 0.000 0.504 416 P HA -0.122 nan 4.420 nan 0.000 0.218 416 P C 1.333 178.679 177.300 0.076 0.000 1.149 416 P CA 2.081 65.233 63.100 0.087 0.000 0.817 416 P CB -0.059 31.669 31.700 0.047 0.000 0.785 417 A N 0.130 122.996 122.820 0.077 0.000 1.873 417 A HA -0.108 4.193 4.320 -0.031 0.000 0.215 417 A C 2.365 179.993 177.584 0.073 0.000 1.186 417 A CA 2.281 54.358 52.037 0.068 0.000 0.616 417 A CB -1.840 17.197 19.000 0.062 0.000 0.823 417 A HN 0.172 nan 8.150 nan 0.000 0.442 418 T N 0.434 115.047 114.554 0.097 0.000 2.746 418 T HA -0.022 4.309 4.350 -0.031 0.000 0.267 418 T C 2.206 176.950 174.700 0.073 0.000 1.039 418 T CA 1.568 63.724 62.100 0.094 0.000 1.142 418 T CB -0.448 68.502 68.868 0.138 0.000 0.866 418 T HN 0.580 nan 8.240 nan 0.000 0.444 419 A N 1.123 123.989 122.820 0.077 0.000 1.933 419 A HA 0.042 4.343 4.320 -0.031 0.000 0.218 419 A C 2.286 179.895 177.584 0.042 0.000 1.175 419 A CA 1.106 53.174 52.037 0.051 0.000 0.628 419 A CB -0.818 18.211 19.000 0.049 0.000 0.814 419 A HN 0.474 nan 8.150 nan 0.000 0.444 420 L N -0.632 120.619 121.223 0.046 0.000 2.141 420 L HA -0.135 4.186 4.340 -0.031 0.000 0.209 420 L C 2.466 179.359 176.870 0.038 0.000 1.094 420 L CA 0.702 55.566 54.840 0.040 0.000 0.763 420 L CB -0.363 41.721 42.059 0.042 0.000 0.908 420 L HN 0.254 nan 8.230 nan 0.000 0.437 421 V N -0.061 119.877 119.914 0.041 0.000 2.307 421 V HA -0.282 3.819 4.120 -0.031 0.000 0.245 421 V C 2.728 178.842 176.094 0.033 0.000 1.045 421 V CA 1.807 64.130 62.300 0.037 0.000 1.024 421 V CB -0.763 31.084 31.823 0.039 0.000 0.651 421 V HN 0.484 nan 8.190 nan 0.000 0.449 422 A N -0.380 122.459 122.820 0.032 0.000 1.877 422 A HA -0.293 4.008 4.320 -0.031 0.000 0.216 422 A C 2.256 179.854 177.584 0.024 0.000 1.186 422 A CA 2.136 54.188 52.037 0.026 0.000 0.620 422 A CB -0.555 18.458 19.000 0.022 0.000 0.822 422 A HN 0.624 nan 8.150 nan 0.000 0.443 423 E N -0.095 120.120 120.200 0.025 0.000 2.077 423 E HA -0.219 4.112 4.350 -0.031 0.000 0.193 423 E C 1.692 178.307 176.600 0.026 0.000 0.989 423 E CA 1.376 57.790 56.400 0.023 0.000 0.800 423 E CB -0.117 29.596 29.700 0.023 0.000 0.746 423 E HN 0.567 nan 8.360 nan 0.000 0.452 424 N N 0.487 119.204 118.700 0.030 0.000 2.223 424 N HA -0.121 4.600 4.740 -0.031 0.000 0.185 424 N C 1.475 177.005 175.510 0.033 0.000 1.016 424 N CA 0.872 53.941 53.050 0.033 0.000 0.863 424 N CB -0.179 38.330 38.487 0.035 0.000 0.983 424 N HN 0.173 nan 8.380 nan 0.000 0.429 425 R N 0.026 120.544 120.500 0.030 0.000 2.316 425 R HA 0.013 4.334 4.340 -0.031 0.000 0.202 425 R C 1.484 177.800 176.300 0.028 0.000 1.029 425 R CA 1.100 57.217 56.100 0.029 0.000 1.018 425 R CB -0.118 30.198 30.300 0.027 0.000 0.888 425 R HN 0.343 nan 8.270 nan 0.000 0.471 426 T N -2.230 112.340 114.554 0.026 0.000 3.107 426 T HA 0.212 4.543 4.350 -0.031 0.000 0.249 426 T C 0.719 175.435 174.700 0.027 0.000 1.096 426 T CA -0.033 62.081 62.100 0.024 0.000 1.012 426 T CB 0.040 68.919 68.868 0.019 0.000 0.977 426 T HN -0.021 nan 8.240 nan 0.000 0.527 427 I N 2.587 123.176 120.570 0.031 0.000 2.291 427 I HA 0.487 4.638 4.170 -0.031 0.000 0.292 427 I C 1.001 177.143 176.117 0.042 0.000 1.064 427 I CA -0.794 60.527 61.300 0.035 0.000 1.269 427 I CB 0.786 38.808 38.000 0.037 0.000 1.418 427 I HN 0.237 nan 8.210 nan 0.000 0.485 428 G N 6.609 115.434 108.800 0.043 0.000 2.462 428 G HA2 0.577 4.518 3.960 -0.031 0.000 0.319 428 G HA3 0.577 4.518 3.960 -0.031 0.000 0.319 428 G C -2.684 172.253 174.900 0.061 0.000 1.171 428 G CA -1.393 43.737 45.100 0.051 0.000 0.920 428 G HN 0.309 nan 8.290 nan 0.000 0.499 429 P HA 0.237 nan 4.420 nan 0.000 0.266 429 P C 0.318 177.667 177.300 0.080 0.000 1.195 429 P CA 0.238 63.394 63.100 0.094 0.000 0.768 429 P CB 1.386 33.160 31.700 0.123 0.000 0.838 430 A N 2.017 124.881 122.820 0.073 0.000 2.167 430 A HA 0.002 4.303 4.320 -0.031 0.000 0.208 430 A C 1.914 179.534 177.584 0.061 0.000 1.198 430 A CA 0.828 52.899 52.037 0.057 0.000 0.863 430 A CB -0.953 18.070 19.000 0.039 0.000 0.904 430 A HN 0.516 nan 8.150 nan 0.000 0.484 431 S N 0.490 116.238 115.700 0.080 0.000 2.469 431 S HA -0.145 4.306 4.470 -0.031 0.000 0.238 431 S C 1.586 176.253 174.600 0.112 0.000 0.998 431 S CA 1.881 60.122 58.200 0.068 0.000 0.957 431 S CB -0.984 62.288 63.200 0.120 0.000 0.764 431 S HN 0.726 nan 8.310 nan 0.000 0.514 432 T N -2.441 112.201 114.554 0.148 0.000 3.040 432 T HA 0.230 4.561 4.350 -0.031 0.000 0.250 432 T C 1.075 175.832 174.700 0.097 0.000 1.058 432 T CA -0.274 61.916 62.100 0.150 0.000 0.988 432 T CB -0.043 68.920 68.868 0.159 0.000 0.993 432 T HN 0.201 nan 8.240 nan 0.000 0.519 433 Q N 2.185 122.030 119.800 0.074 0.000 2.247 433 Q HA 0.306 4.628 4.340 -0.031 0.000 0.234 433 Q C 0.453 176.481 176.000 0.045 0.000 0.899 433 Q CA -0.070 55.766 55.803 0.055 0.000 0.951 433 Q CB 0.059 28.825 28.738 0.046 0.000 1.057 433 Q HN 0.528 nan 8.270 nan 0.000 0.444 434 S N 0.224 115.955 115.700 0.051 0.000 2.558 434 S HA 0.159 4.610 4.470 -0.031 0.000 0.288 434 S C -0.022 174.603 174.600 0.042 0.000 1.318 434 S CA -0.216 58.011 58.200 0.045 0.000 1.056 434 S CB 0.434 63.671 63.200 0.062 0.000 0.853 434 S HN 0.126 nan 8.310 nan 0.000 0.505 435 V N 7.778 127.713 119.914 0.035 0.000 2.577 435 V HA 0.466 4.567 4.120 -0.031 0.000 0.303 435 V C -2.022 174.092 176.094 0.033 0.000 1.042 435 V CA -1.617 60.702 62.300 0.032 0.000 0.872 435 V CB 1.833 33.671 31.823 0.024 0.000 0.998 435 V HN 0.872 nan 8.190 nan 0.000 0.423 436 P HA 0.296 nan 4.420 nan 0.000 0.271 436 P C -0.468 176.851 177.300 0.032 0.000 1.216 436 P CA 0.260 63.383 63.100 0.038 0.000 0.776 436 P CB 1.348 33.072 31.700 0.039 0.000 0.881 437 S N 0.840 116.561 115.700 0.034 0.000 2.776 437 S HA 0.428 4.879 4.470 -0.031 0.000 0.292 437 S C -0.291 174.331 174.600 0.037 0.000 1.187 437 S CA -0.768 57.449 58.200 0.029 0.000 0.834 437 S CB 0.526 63.738 63.200 0.019 0.000 1.199 437 S HN 0.430 nan 8.310 nan 0.000 0.514 438 N N 0.270 118.991 118.700 0.035 0.000 2.681 438 N HA -0.089 4.632 4.740 -0.031 0.000 0.259 438 N C 0.749 176.296 175.510 0.062 0.000 1.066 438 N CA 1.817 54.897 53.050 0.049 0.000 0.717 438 N CB -1.450 37.069 38.487 0.055 0.000 0.885 438 N HN 2.161 nan 8.380 nan 0.000 0.547 439 G N 1.261 110.096 108.800 0.058 0.000 2.296 439 G HA2 -0.314 3.627 3.960 -0.031 0.000 0.282 439 G HA3 -0.314 3.627 3.960 -0.031 0.000 0.282 439 G C 0.459 175.395 174.900 0.060 0.000 1.014 439 G CA 0.700 45.839 45.100 0.064 0.000 0.812 439 G HN 0.842 nan 8.290 nan 0.000 0.508 440 D N -2.166 118.265 120.400 0.052 0.000 3.028 440 D HA -0.214 4.407 4.640 -0.031 0.000 0.207 440 D C 1.305 177.639 176.300 0.057 0.000 1.100 440 D CA 1.504 55.534 54.000 0.050 0.000 0.995 440 D CB -1.301 39.525 40.800 0.043 0.000 1.108 440 D HN 0.660 nan 8.370 nan 0.000 0.421 441 N N 0.770 119.509 118.700 0.064 0.000 2.142 441 N HA -0.142 4.580 4.740 -0.031 0.000 0.186 441 N C 0.574 176.125 175.510 0.069 0.000 1.023 441 N CA 1.360 54.450 53.050 0.067 0.000 0.852 441 N CB 0.125 38.655 38.487 0.071 0.000 0.998 441 N HN 0.311 nan 8.380 nan 0.000 0.424 442 Q N 0.539 120.378 119.800 0.064 0.000 2.963 442 Q HA 0.063 4.385 4.340 -0.031 0.000 0.262 442 Q C -0.542 175.501 176.000 0.072 0.000 1.318 442 Q CA -0.228 55.618 55.803 0.072 0.000 1.089 442 Q CB 0.551 29.317 28.738 0.047 0.000 1.424 442 Q HN 0.529 nan 8.270 nan 0.000 0.560 443 D N -0.870 119.577 120.400 0.079 0.000 2.355 443 D HA -0.023 4.598 4.640 -0.031 0.000 0.218 443 D C 0.255 176.603 176.300 0.081 0.000 1.004 443 D CA 0.234 54.276 54.000 0.069 0.000 0.880 443 D CB 0.465 41.301 40.800 0.059 0.000 0.911 443 D HN 0.061 nan 8.370 nan 0.000 0.528 444 V N 1.424 121.408 119.914 0.116 0.000 2.555 444 V HA 0.325 4.426 4.120 -0.031 0.000 0.283 444 V C -0.089 176.156 176.094 0.251 0.000 1.020 444 V CA -0.991 61.399 62.300 0.151 0.000 0.883 444 V CB 1.753 33.657 31.823 0.136 0.000 1.030 444 V HN 0.161 nan 8.190 nan 0.000 0.448 445 V N 2.060 122.054 119.914 0.134 0.000 3.234 445 V HA 0.801 4.903 4.120 -0.031 0.000 0.317 445 V C 1.018 177.104 176.094 -0.014 0.000 1.147 445 V CA 0.328 62.617 62.300 -0.018 0.000 1.037 445 V CB 1.972 33.766 31.823 -0.049 0.000 1.148 445 V HN 0.767 nan 8.190 nan 0.000 0.455 446 S N -0.700 114.904 115.700 -0.160 0.000 2.497 446 S HA 0.116 4.567 4.470 -0.031 0.000 0.221 446 S C 1.133 175.697 174.600 -0.060 0.000 1.037 446 S CA 0.650 58.805 58.200 -0.077 0.000 0.920 446 S CB -0.219 62.914 63.200 -0.111 0.000 0.800 446 S HN 1.060 nan 8.310 nan 0.000 0.505 447 M N 0.709 120.278 119.600 -0.052 0.000 2.751 447 M HA -0.154 4.307 4.480 -0.031 0.000 0.199 447 M C 1.096 177.387 176.300 -0.015 0.000 0.550 447 M CA 0.820 56.109 55.300 -0.019 0.000 0.640 447 M CB -2.636 29.965 32.600 0.002 0.000 2.351 447 M HN 0.565 nan 8.290 nan 0.000 0.613 448 G N 0.109 108.888 108.800 -0.035 0.000 2.450 448 G HA2 -0.110 3.831 3.960 -0.031 0.000 0.220 448 G HA3 -0.110 3.831 3.960 -0.031 0.000 0.220 448 G C 1.310 176.212 174.900 0.003 0.000 1.130 448 G CA 1.112 46.195 45.100 -0.028 0.000 0.760 448 G HN 0.469 nan 8.290 nan 0.000 0.557 449 L N 0.697 121.932 121.223 0.021 0.000 2.156 449 L HA 0.180 4.502 4.340 -0.031 0.000 0.208 449 L C 2.626 179.538 176.870 0.069 0.000 1.095 449 L CA 1.036 55.913 54.840 0.061 0.000 0.770 449 L CB -0.314 41.801 42.059 0.093 0.000 0.914 449 L HN 0.274 nan 8.230 nan 0.000 0.439 450 I N -1.492 119.104 120.570 0.043 0.000 2.252 450 I HA -0.269 3.882 4.170 -0.031 0.000 0.245 450 I C 2.337 178.477 176.117 0.038 0.000 1.102 450 I CA 1.175 62.498 61.300 0.038 0.000 1.385 450 I CB -0.507 37.508 38.000 0.025 0.000 1.064 450 I HN 0.160 nan 8.210 nan 0.000 0.414 451 S N 0.997 116.715 115.700 0.029 0.000 2.370 451 S HA -0.196 4.255 4.470 -0.031 0.000 0.226 451 S C 2.261 176.881 174.600 0.033 0.000 1.033 451 S CA 1.492 59.708 58.200 0.026 0.000 1.011 451 S CB -0.385 62.817 63.200 0.004 0.000 0.852 451 S HN 0.559 nan 8.310 nan 0.000 0.457 452 A N 1.640 124.483 122.820 0.038 0.000 1.930 452 A HA -0.049 4.253 4.320 -0.031 0.000 0.217 452 A C 2.149 179.775 177.584 0.071 0.000 1.175 452 A CA 1.072 53.138 52.037 0.049 0.000 0.627 452 A CB -0.380 18.648 19.000 0.046 0.000 0.815 452 A HN 0.392 nan 8.150 nan 0.000 0.443 453 R N -0.516 120.035 120.500 0.084 0.000 2.115 453 R HA -0.063 4.258 4.340 -0.031 0.000 0.226 453 R C 1.720 178.054 176.300 0.056 0.000 1.100 453 R CA 1.107 57.258 56.100 0.085 0.000 0.980 453 R CB -0.276 30.068 30.300 0.073 0.000 0.875 453 R HN 0.469 nan 8.270 nan 0.000 0.445 454 N N 1.076 119.805 118.700 0.049 0.000 2.084 454 N HA -0.142 4.579 4.740 -0.031 0.000 0.190 454 N C 1.651 177.190 175.510 0.048 0.000 1.030 454 N CA 1.669 54.746 53.050 0.044 0.000 0.849 454 N CB -0.352 38.162 38.487 0.045 0.000 1.012 454 N HN 0.196 nan 8.380 nan 0.000 0.423 455 A N 1.063 123.915 122.820 0.052 0.000 1.902 455 A HA -0.135 4.166 4.320 -0.031 0.000 0.217 455 A C 2.243 179.860 177.584 0.054 0.000 1.181 455 A CA 1.388 53.458 52.037 0.055 0.000 0.623 455 A CB -0.524 18.509 19.000 0.055 0.000 0.818 455 A HN 0.274 nan 8.150 nan 0.000 0.443 456 R N -0.406 120.129 120.500 0.058 0.000 2.091 456 R HA -0.175 4.146 4.340 -0.031 0.000 0.238 456 R C 2.441 178.772 176.300 0.051 0.000 1.136 456 R CA 1.761 57.897 56.100 0.060 0.000 0.959 456 R CB -0.320 30.025 30.300 0.076 0.000 0.856 456 R HN 0.563 nan 8.270 nan 0.000 0.437 457 R N 0.103 120.630 120.500 0.046 0.000 2.083 457 R HA -0.113 4.208 4.340 -0.031 0.000 0.237 457 R C 2.093 178.416 176.300 0.039 0.000 1.137 457 R CA 1.867 57.989 56.100 0.037 0.000 0.951 457 R CB -0.213 30.106 30.300 0.031 0.000 0.851 457 R HN 0.157 nan 8.270 nan 0.000 0.434 458 V N 1.501 121.441 119.914 0.042 0.000 2.343 458 V HA -0.242 3.859 4.120 -0.031 0.000 0.247 458 V C 2.329 178.449 176.094 0.044 0.000 1.051 458 V CA 1.607 63.933 62.300 0.043 0.000 1.036 458 V CB -0.583 31.268 31.823 0.046 0.000 0.654 458 V HN 0.361 nan 8.190 nan 0.000 0.451 459 L N 0.241 121.492 121.223 0.047 0.000 1.989 459 L HA -0.189 4.133 4.340 -0.031 0.000 0.211 459 L C 2.640 179.537 176.870 0.046 0.000 1.071 459 L CA 2.580 57.449 54.840 0.048 0.000 0.749 459 L CB -0.795 41.294 42.059 0.050 0.000 0.890 459 L HN 0.316 nan 8.230 nan 0.000 0.431 460 S N -0.558 115.168 115.700 0.043 0.000 2.368 460 S HA -0.191 4.261 4.470 -0.031 0.000 0.225 460 S C 1.879 176.502 174.600 0.039 0.000 1.030 460 S CA 1.544 59.768 58.200 0.040 0.000 0.999 460 S CB -0.475 62.747 63.200 0.036 0.000 0.844 460 S HN 0.644 nan 8.310 nan 0.000 0.459 461 N N 2.128 120.851 118.700 0.038 0.000 2.166 461 N HA -0.027 4.694 4.740 -0.031 0.000 0.186 461 N C 1.435 176.970 175.510 0.042 0.000 1.019 461 N CA 1.005 54.078 53.050 0.038 0.000 0.856 461 N CB -0.892 37.617 38.487 0.036 0.000 0.993 461 N HN 0.413 nan 8.380 nan 0.000 0.426 462 N N 1.374 120.100 118.700 0.045 0.000 2.223 462 N HA -0.061 4.660 4.740 -0.031 0.000 0.185 462 N C 1.193 176.736 175.510 0.055 0.000 1.016 462 N CA 0.562 53.641 53.050 0.049 0.000 0.863 462 N CB -0.425 38.092 38.487 0.049 0.000 0.983 462 N HN 0.270 nan 8.380 nan 0.000 0.429 463 N N 0.973 119.704 118.700 0.053 0.000 2.223 463 N HA -0.099 4.622 4.740 -0.031 0.000 0.185 463 N C 1.387 176.929 175.510 0.053 0.000 1.016 463 N CA 0.793 53.875 53.050 0.054 0.000 0.863 463 N CB 0.010 38.526 38.487 0.047 0.000 0.983 463 N HN 0.275 nan 8.380 nan 0.000 0.429 464 K N 0.999 121.428 120.400 0.048 0.000 2.057 464 K HA 0.039 4.340 4.320 -0.031 0.000 0.206 464 K C 2.192 178.826 176.600 0.056 0.000 1.050 464 K CA 0.478 56.794 56.287 0.047 0.000 0.935 464 K CB -0.411 32.113 32.500 0.040 0.000 0.715 464 K HN 0.275 nan 8.250 nan 0.000 0.439 465 I N 1.160 121.764 120.570 0.057 0.000 2.179 465 I HA -0.259 3.892 4.170 -0.031 0.000 0.242 465 I C 2.319 178.478 176.117 0.070 0.000 1.088 465 I CA 1.076 62.411 61.300 0.058 0.000 1.357 465 I CB -0.332 37.699 38.000 0.051 0.000 1.051 465 I HN 0.004 nan 8.210 nan 0.000 0.409 466 L N 0.491 121.766 121.223 0.085 0.000 2.141 466 L HA -0.164 4.157 4.340 -0.031 0.000 0.209 466 L C 2.854 179.840 176.870 0.193 0.000 1.094 466 L CA 1.091 56.013 54.840 0.137 0.000 0.763 466 L CB -0.710 41.449 42.059 0.166 0.000 0.908 466 L HN 0.231 nan 8.230 nan 0.000 0.437 467 A N -0.139 122.749 122.820 0.114 0.000 1.883 467 A HA -0.171 4.130 4.320 -0.031 0.000 0.217 467 A C 2.340 180.003 177.584 0.132 0.000 1.186 467 A CA 1.972 54.065 52.037 0.093 0.000 0.624 467 A CB -0.877 18.161 19.000 0.063 0.000 0.822 467 A HN 0.186 nan 8.150 nan 0.000 0.444 468 V N -0.008 119.975 119.914 0.116 0.000 2.407 468 V HA -0.257 3.844 4.120 -0.031 0.000 0.248 468 V C 2.510 178.668 176.094 0.108 0.000 1.055 468 V CA 2.295 64.680 62.300 0.141 0.000 1.049 468 V CB -0.678 31.213 31.823 0.114 0.000 0.662 468 V HN 0.786 nan 8.190 nan 0.000 0.455 469 E N -0.802 119.435 120.200 0.062 0.000 2.072 469 E HA -0.228 4.103 4.350 -0.031 0.000 0.191 469 E C 2.170 178.727 176.600 -0.072 0.000 0.985 469 E CA 1.370 57.752 56.400 -0.030 0.000 0.801 469 E CB -0.206 29.457 29.700 -0.062 0.000 0.750 469 E HN 0.687 nan 8.360 nan 0.000 0.452 470 Y N 0.639 120.865 120.300 -0.124 0.000 2.224 470 Y HA -0.176 4.356 4.550 -0.031 0.000 0.289 470 Y C 2.165 178.008 175.900 -0.095 0.000 1.146 470 Y CA 1.251 59.241 58.100 -0.182 0.000 1.182 470 Y CB -0.016 38.234 38.460 -0.349 0.000 0.983 470 Y HN 0.086 nan 8.280 nan 0.000 0.524 471 L N -1.371 119.939 121.223 0.147 0.000 2.056 471 L HA -0.200 4.121 4.340 -0.031 0.000 0.207 471 L C 2.638 179.483 176.870 -0.042 0.000 1.078 471 L CA 1.004 55.951 54.840 0.178 0.000 0.749 471 L CB -0.757 41.525 42.059 0.371 0.000 0.901 471 L HN 0.199 nan 8.230 nan 0.000 0.433 472 A N 0.009 122.675 122.820 -0.257 0.000 1.898 472 A HA -0.140 4.161 4.320 -0.031 0.000 0.216 472 A C 2.530 179.908 177.584 -0.342 0.000 1.181 472 A CA 1.614 53.270 52.037 -0.635 0.000 0.620 472 A CB -0.659 18.061 19.000 -0.466 0.000 0.819 472 A HN 0.387 nan 8.150 nan 0.000 0.442 473 A N 0.052 122.756 122.820 -0.193 0.000 1.865 473 A HA 0.115 4.416 4.320 -0.031 0.000 0.217 473 A C 2.547 180.120 177.584 -0.018 0.000 1.191 473 A CA 2.338 54.303 52.037 -0.121 0.000 0.623 473 A CB -1.182 17.727 19.000 -0.153 0.000 0.826 473 A HN 1.104 nan 8.150 nan 0.000 0.444 474 A N -1.031 121.812 122.820 0.038 0.000 1.908 474 A HA -0.226 4.075 4.320 -0.031 0.000 0.218 474 A C 2.165 179.856 177.584 0.179 0.000 1.181 474 A CA 2.260 54.409 52.037 0.186 0.000 0.627 474 A CB -0.572 18.464 19.000 0.059 0.000 0.818 474 A HN 0.574 nan 8.150 nan 0.000 0.445 475 Q N -0.070 119.747 119.800 0.029 0.000 2.124 475 Q HA -0.044 4.277 4.340 -0.031 0.000 0.202 475 Q C 1.990 177.989 176.000 -0.002 0.000 0.977 475 Q CA 2.183 57.997 55.803 0.017 0.000 0.850 475 Q CB -0.616 28.037 28.738 -0.140 0.000 0.901 475 Q HN 0.558 nan 8.270 nan 0.000 0.429 476 A N -0.628 122.155 122.820 -0.062 0.000 1.933 476 A HA -0.110 4.191 4.320 -0.031 0.000 0.218 476 A C 2.269 179.860 177.584 0.013 0.000 1.175 476 A CA 1.511 53.521 52.037 -0.046 0.000 0.628 476 A CB -0.774 18.179 19.000 -0.078 0.000 0.814 476 A HN 0.275 nan 8.150 nan 0.000 0.444 477 V N 0.608 120.559 119.914 0.062 0.000 2.295 477 V HA -0.258 3.843 4.120 -0.031 0.000 0.246 477 V C 2.245 178.376 176.094 0.062 0.000 1.049 477 V CA 2.359 64.697 62.300 0.063 0.000 1.024 477 V CB -0.760 31.130 31.823 0.112 0.000 0.648 477 V HN 0.512 nan 8.190 nan 0.000 0.447 478 D N 0.034 120.510 120.400 0.127 0.000 2.084 478 D HA -0.131 4.490 4.640 -0.031 0.000 0.194 478 D C 2.084 178.418 176.300 0.057 0.000 0.990 478 D CA 1.513 55.576 54.000 0.105 0.000 0.826 478 D CB -0.259 40.632 40.800 0.152 0.000 0.971 478 D HN 0.384 nan 8.370 nan 0.000 0.453 479 I N 1.172 121.771 120.570 0.048 0.000 2.264 479 I HA -0.239 3.913 4.170 -0.031 0.000 0.248 479 I C 2.235 178.364 176.117 0.020 0.000 1.111 479 I CA 1.253 62.571 61.300 0.029 0.000 1.382 479 I CB -0.212 37.800 38.000 0.019 0.000 1.060 479 I HN 0.001 nan 8.210 nan 0.000 0.418 480 S N 0.258 115.968 115.700 0.017 0.000 2.558 480 S HA 0.147 4.598 4.470 -0.031 0.000 0.217 480 S C 1.655 176.263 174.600 0.013 0.000 0.975 480 S CA 0.324 58.531 58.200 0.012 0.000 0.912 480 S CB 0.129 63.334 63.200 0.008 0.000 0.776 480 S HN 0.571 nan 8.310 nan 0.000 0.526 481 G N 1.923 110.734 108.800 0.019 0.000 2.305 481 G HA2 -0.300 3.641 3.960 -0.031 0.000 0.287 481 G HA3 -0.300 3.641 3.960 -0.031 0.000 0.287 481 G C 0.494 175.407 174.900 0.021 0.000 1.036 481 G CA 0.404 45.517 45.100 0.022 0.000 0.887 481 G HN 0.587 nan 8.290 nan 0.000 0.505 482 R N -1.250 119.257 120.500 0.011 0.000 2.427 482 R HA 0.307 4.628 4.340 -0.031 0.000 0.262 482 R C 1.849 178.125 176.300 -0.041 0.000 0.943 482 R CA -0.148 55.944 56.100 -0.013 0.000 1.081 482 R CB -0.086 30.198 30.300 -0.026 0.000 1.166 482 R HN 0.419 nan 8.270 nan 0.000 0.534 483 F N 2.142 121.987 119.950 -0.176 0.000 2.065 483 F HA -0.278 4.230 4.527 -0.032 0.000 0.298 483 F C 1.570 177.276 175.800 -0.158 0.000 1.112 483 F CA 1.841 59.685 58.000 -0.259 0.000 1.212 483 F CB 0.107 38.898 39.000 -0.349 0.000 0.975 483 F HN 0.012 nan 8.300 nan 0.000 0.476 484 D N -0.088 120.278 120.400 -0.056 0.000 2.265 484 D HA -0.121 4.500 4.640 -0.031 0.000 0.208 484 D C 2.247 178.436 176.300 -0.184 0.000 0.977 484 D CA 1.378 55.307 54.000 -0.118 0.000 0.871 484 D CB -0.745 40.067 40.800 0.019 0.000 0.925 484 D HN 0.477 nan 8.370 nan 0.000 0.485 485 G N -0.211 108.493 108.800 -0.160 0.000 2.985 485 G HA2 0.122 4.063 3.960 -0.031 0.000 0.209 485 G HA3 0.122 4.063 3.960 -0.031 0.000 0.209 485 G C 0.758 175.558 174.900 -0.166 0.000 1.165 485 G CA -0.259 44.762 45.100 -0.131 0.000 0.776 485 G HN 0.162 nan 8.290 nan 0.000 0.541 486 L N 1.955 123.018 121.223 -0.267 0.000 2.452 486 L HA 0.262 4.583 4.340 -0.031 0.000 0.267 486 L C 1.284 178.028 176.870 -0.210 0.000 1.188 486 L CA -0.589 54.100 54.840 -0.252 0.000 0.821 486 L CB 1.013 42.855 42.059 -0.361 0.000 1.102 486 L HN 0.197 nan 8.230 nan 0.000 0.470 487 S N 1.621 117.237 115.700 -0.141 0.000 2.608 487 S HA 0.219 4.670 4.470 -0.031 0.000 0.261 487 S C -1.912 172.627 174.600 -0.102 0.000 1.314 487 S CA -1.052 57.086 58.200 -0.103 0.000 0.992 487 S CB 0.814 63.970 63.200 -0.074 0.000 0.935 487 S HN 0.407 nan 8.310 nan 0.000 0.564 488 P HA -0.046 nan 4.420 nan 0.000 0.215 488 P C 1.648 178.940 177.300 -0.013 0.000 1.157 488 P CA 2.009 65.085 63.100 -0.041 0.000 0.868 488 P CB -0.298 31.389 31.700 -0.022 0.000 0.788 489 A N -0.075 122.739 122.820 -0.010 0.000 1.902 489 A HA -0.140 4.161 4.320 -0.031 0.000 0.217 489 A C 2.322 179.927 177.584 0.034 0.000 1.181 489 A CA 2.202 54.249 52.037 0.017 0.000 0.623 489 A CB -1.646 17.355 19.000 0.001 0.000 0.818 489 A HN 0.191 nan 8.150 nan 0.000 0.443 490 A N -0.205 122.612 122.820 -0.005 0.000 1.902 490 A HA -0.153 4.149 4.320 -0.031 0.000 0.217 490 A C 2.104 179.723 177.584 0.058 0.000 1.181 490 A CA 1.757 53.798 52.037 0.007 0.000 0.623 490 A CB -0.418 18.549 19.000 -0.055 0.000 0.818 490 A HN 0.549 nan 8.150 nan 0.000 0.443 491 K N -0.286 120.102 120.400 -0.020 0.000 2.097 491 K HA -0.047 4.255 4.320 -0.031 0.000 0.206 491 K C 2.289 179.035 176.600 0.244 0.000 1.049 491 K CA 1.048 57.351 56.287 0.027 0.000 0.933 491 K CB -0.301 32.114 32.500 -0.141 0.000 0.717 491 K HN 0.447 nan 8.250 nan 0.000 0.442 492 A N 1.073 123.991 122.820 0.164 0.000 1.898 492 A HA -0.137 4.165 4.320 -0.031 0.000 0.216 492 A C 2.237 179.965 177.584 0.240 0.000 1.181 492 A CA 1.923 54.068 52.037 0.180 0.000 0.620 492 A CB -0.898 18.175 19.000 0.122 0.000 0.819 492 A HN 0.229 nan 8.150 nan 0.000 0.442 493 T N -1.410 113.298 114.554 0.257 0.000 2.708 493 T HA -0.176 4.155 4.350 -0.031 0.000 0.266 493 T C 1.795 176.715 174.700 0.367 0.000 1.037 493 T CA 1.650 63.959 62.100 0.349 0.000 1.146 493 T CB -0.503 68.516 68.868 0.252 0.000 0.865 493 T HN 0.568 nan 8.240 nan 0.000 0.435 494 Y N 2.214 122.645 120.300 0.218 0.000 2.081 494 Y HA -0.211 4.321 4.550 -0.030 0.000 0.280 494 Y C 2.358 178.401 175.900 0.238 0.000 1.163 494 Y CA 1.722 59.959 58.100 0.229 0.000 1.135 494 Y CB -0.324 38.303 38.460 0.278 0.000 0.970 494 Y HN 0.281 nan 8.280 nan 0.000 0.498 495 E N 0.109 120.493 120.200 0.308 0.000 2.110 495 E HA -0.217 4.114 4.350 -0.031 0.000 0.193 495 E C 2.383 179.016 176.600 0.055 0.000 0.988 495 E CA 0.864 57.353 56.400 0.148 0.000 0.804 495 E CB -0.372 29.479 29.700 0.251 0.000 0.745 495 E HN 0.618 nan 8.360 nan 0.000 0.458 496 A N 1.177 124.075 122.820 0.130 0.000 1.908 496 A HA -0.164 4.137 4.320 -0.031 0.000 0.218 496 A C 2.544 180.199 177.584 0.117 0.000 1.181 496 A CA 1.343 53.426 52.037 0.077 0.000 0.627 496 A CB -0.720 18.336 19.000 0.094 0.000 0.818 496 A HN 0.113 nan 8.150 nan 0.000 0.445 497 V N 0.226 120.290 119.914 0.250 0.000 2.261 497 V HA -0.223 3.878 4.120 -0.031 0.000 0.246 497 V C 2.613 178.705 176.094 -0.002 0.000 1.047 497 V CA 1.984 64.399 62.300 0.193 0.000 1.015 497 V CB -0.792 31.113 31.823 0.137 0.000 0.642 497 V HN 0.461 nan 8.190 nan 0.000 0.446 498 R N -0.053 120.342 120.500 -0.174 0.000 2.241 498 R HA -0.123 4.199 4.340 -0.031 0.000 0.224 498 R C 2.268 178.519 176.300 -0.081 0.000 1.101 498 R CA 1.026 57.010 56.100 -0.194 0.000 0.995 498 R CB -0.697 29.376 30.300 -0.378 0.000 0.870 498 R HN 0.490 nan 8.270 nan 0.000 0.463 499 R N 0.509 120.979 120.500 -0.050 0.000 2.193 499 R HA 0.034 4.355 4.340 -0.031 0.000 0.213 499 R C 1.711 177.996 176.300 -0.025 0.000 1.055 499 R CA 0.636 56.717 56.100 -0.032 0.000 0.995 499 R CB 0.167 30.447 30.300 -0.032 0.000 0.893 499 R HN 0.154 nan 8.270 nan 0.000 0.459 500 L N -0.677 120.538 121.223 -0.013 0.000 2.362 500 L HA 0.241 4.562 4.340 -0.031 0.000 0.204 500 L C -0.009 176.868 176.870 0.012 0.000 1.060 500 L CA 0.058 54.898 54.840 0.000 0.000 0.827 500 L CB 0.819 42.889 42.059 0.018 0.000 1.027 500 L HN -0.143 nan 8.230 nan 0.000 0.474 501 V N -0.057 119.867 119.914 0.018 0.000 2.638 501 V HA 0.400 4.501 4.120 -0.031 0.000 0.306 501 V C -2.446 173.655 176.094 0.012 0.000 1.052 501 V CA -1.552 60.763 62.300 0.026 0.000 0.885 501 V CB 1.945 33.801 31.823 0.054 0.000 0.999 501 V HN -0.083 nan 8.190 nan 0.000 0.424 502 P HA 0.284 nan 4.420 nan 0.000 0.274 502 P C -0.031 177.293 177.300 0.040 0.000 1.246 502 P CA -0.212 62.897 63.100 0.015 0.000 0.795 502 P CB 0.362 32.071 31.700 0.015 0.000 1.006 503 T N 1.306 115.889 114.554 0.048 0.000 2.903 503 T HA 0.067 4.399 4.350 -0.031 0.000 0.314 503 T C 0.189 174.939 174.700 0.083 0.000 1.078 503 T CA 0.175 62.327 62.100 0.085 0.000 1.114 503 T CB -0.082 68.836 68.868 0.083 0.000 0.987 503 T HN 0.189 nan 8.240 nan 0.000 0.548 504 L N 3.642 124.942 121.223 0.128 0.000 2.295 504 L HA 0.499 4.820 4.340 -0.031 0.000 0.288 504 L C 0.843 177.742 176.870 0.048 0.000 1.079 504 L CA 0.270 55.163 54.840 0.089 0.000 0.830 504 L CB -0.108 42.036 42.059 0.142 0.000 1.200 504 L HN 0.755 nan 8.230 nan 0.000 0.438 505 G N 4.193 112.996 108.800 0.004 0.000 2.542 505 G HA2 0.220 4.161 3.960 -0.031 0.000 0.211 505 G HA3 0.220 4.161 3.960 -0.031 0.000 0.211 505 G C 0.300 175.128 174.900 -0.119 0.000 1.702 505 G CA 0.430 45.506 45.100 -0.040 0.000 0.935 505 G HN 0.639 nan 8.290 nan 0.000 0.509 506 V N -0.652 119.202 119.914 -0.100 0.000 3.133 506 V HA 0.372 4.473 4.120 -0.031 0.000 0.305 506 V C -0.319 175.796 176.094 0.035 0.000 1.084 506 V CA -1.185 61.046 62.300 -0.116 0.000 1.089 506 V CB 0.986 32.857 31.823 0.078 0.000 1.073 506 V HN 0.272 nan 8.190 nan 0.000 0.477 507 D N 2.275 122.827 120.400 0.254 0.000 2.400 507 D HA 0.430 5.051 4.640 -0.031 0.000 0.238 507 D C 0.349 176.693 176.300 0.074 0.000 1.157 507 D CA 0.478 54.567 54.000 0.148 0.000 0.889 507 D CB 0.530 41.436 40.800 0.176 0.000 1.199 507 D HN 0.881 nan 8.370 nan 0.000 0.436 508 R N 0.210 120.720 120.500 0.018 0.000 2.712 508 R HA 0.235 4.556 4.340 -0.031 0.000 0.272 508 R C -1.056 175.272 176.300 0.047 0.000 1.032 508 R CA -1.025 55.100 56.100 0.042 0.000 0.874 508 R CB 0.250 30.574 30.300 0.039 0.000 1.256 508 R HN 0.274 nan 8.270 nan 0.000 0.468 509 Y N 2.528 122.801 120.300 -0.045 0.000 2.865 509 Y HA -0.086 4.444 4.550 -0.033 0.000 0.338 509 Y C 0.819 176.679 175.900 -0.066 0.000 1.269 509 Y CA 0.722 58.794 58.100 -0.047 0.000 1.585 509 Y CB 0.622 39.064 38.460 -0.031 0.000 1.224 509 Y HN 0.587 nan 8.280 nan 0.000 0.554 510 M N 4.739 124.166 119.600 -0.287 0.000 2.534 510 M HA 0.068 4.529 4.480 -0.031 0.000 0.263 510 M C 2.174 178.340 176.300 -0.223 0.000 1.152 510 M CA 1.022 56.180 55.300 -0.238 0.000 1.145 510 M CB -1.252 31.179 32.600 -0.281 0.000 1.333 510 M HN 0.823 nan 8.290 nan 0.000 0.477 511 A N 1.188 123.753 122.820 -0.425 0.000 1.948 511 A HA -0.209 4.092 4.320 -0.031 0.000 0.220 511 A C 1.845 179.420 177.584 -0.015 0.000 1.177 511 A CA 2.163 54.055 52.037 -0.243 0.000 0.636 511 A CB -0.677 18.108 19.000 -0.358 0.000 0.815 511 A HN 0.382 nan 8.150 nan 0.000 0.449 512 D N -0.104 120.373 120.400 0.129 0.000 2.149 512 D HA -0.087 4.535 4.640 -0.031 0.000 0.201 512 D C 1.362 177.705 176.300 0.072 0.000 0.972 512 D CA 1.277 55.360 54.000 0.139 0.000 0.835 512 D CB -0.420 40.490 40.800 0.183 0.000 0.966 512 D HN 0.385 nan 8.370 nan 0.000 0.476 513 D N 0.360 120.792 120.400 0.054 0.000 2.117 513 D HA -0.083 4.538 4.640 -0.031 0.000 0.197 513 D C 2.266 178.590 176.300 0.040 0.000 0.987 513 D CA 0.495 54.518 54.000 0.039 0.000 0.829 513 D CB -0.219 40.591 40.800 0.017 0.000 0.961 513 D HN 0.280 nan 8.370 nan 0.000 0.460 514 I N 0.428 121.009 120.570 0.020 0.000 2.252 514 I HA -0.203 3.948 4.170 -0.031 0.000 0.245 514 I C 2.254 178.393 176.117 0.036 0.000 1.102 514 I CA 0.907 62.226 61.300 0.031 0.000 1.385 514 I CB -0.124 37.881 38.000 0.008 0.000 1.064 514 I HN -0.122 nan 8.210 nan 0.000 0.414 515 E N 0.994 121.213 120.200 0.030 0.000 2.150 515 E HA -0.201 4.130 4.350 -0.031 0.000 0.193 515 E C 1.928 178.549 176.600 0.035 0.000 0.985 515 E CA 0.913 57.333 56.400 0.033 0.000 0.814 515 E CB -0.139 29.582 29.700 0.035 0.000 0.752 515 E HN 0.265 nan 8.360 nan 0.000 0.466 516 L N -0.706 120.540 121.223 0.039 0.000 2.027 516 L HA -0.101 4.220 4.340 -0.031 0.000 0.206 516 L C 2.107 179.003 176.870 0.042 0.000 1.074 516 L CA 1.280 56.141 54.840 0.034 0.000 0.745 516 L CB -0.429 41.651 42.059 0.034 0.000 0.898 516 L HN 0.037 nan 8.230 nan 0.000 0.433 517 V N -0.251 119.701 119.914 0.063 0.000 2.515 517 V HA -0.201 3.900 4.120 -0.031 0.000 0.250 517 V C 2.687 178.825 176.094 0.074 0.000 1.058 517 V CA 1.324 63.682 62.300 0.097 0.000 1.064 517 V CB -1.118 30.764 31.823 0.098 0.000 0.675 517 V HN 0.559 nan 8.190 nan 0.000 0.461 518 A N -0.271 122.579 122.820 0.050 0.000 1.930 518 A HA -0.223 4.078 4.320 -0.031 0.000 0.217 518 A C 2.035 179.641 177.584 0.038 0.000 1.175 518 A CA 1.861 53.923 52.037 0.041 0.000 0.627 518 A CB -0.472 18.551 19.000 0.038 0.000 0.815 518 A HN 0.514 nan 8.150 nan 0.000 0.443 519 D N 0.036 120.455 120.400 0.031 0.000 2.117 519 D HA -0.020 4.601 4.640 -0.031 0.000 0.198 519 D C 2.298 178.601 176.300 0.006 0.000 0.982 519 D CA 1.389 55.400 54.000 0.018 0.000 0.828 519 D CB -0.377 40.429 40.800 0.010 0.000 0.967 519 D HN 0.394 nan 8.370 nan 0.000 0.464 520 A N 0.932 123.754 122.820 0.002 0.000 1.908 520 A HA -0.160 4.141 4.320 -0.031 0.000 0.218 520 A C 2.417 179.990 177.584 -0.018 0.000 1.181 520 A CA 1.040 53.042 52.037 -0.058 0.000 0.627 520 A CB -0.860 18.071 19.000 -0.116 0.000 0.818 520 A HN 0.203 nan 8.150 nan 0.000 0.445 521 L N 0.442 121.717 121.223 0.088 0.000 2.046 521 L HA -0.201 4.120 4.340 -0.031 0.000 0.208 521 L C 3.011 179.917 176.870 0.060 0.000 1.077 521 L CA 1.645 56.550 54.840 0.109 0.000 0.747 521 L CB -0.452 41.639 42.059 0.054 0.000 0.896 521 L HN 0.620 nan 8.230 nan 0.000 0.432 522 S N 0.565 116.289 115.700 0.039 0.000 2.442 522 S HA -0.206 4.245 4.470 -0.031 0.000 0.236 522 S C 1.744 176.358 174.600 0.022 0.000 1.007 522 S CA 1.001 59.220 58.200 0.033 0.000 0.965 522 S CB -0.456 62.761 63.200 0.028 0.000 0.773 522 S HN 0.604 nan 8.310 nan 0.000 0.504 523 R N 0.549 121.052 120.500 0.005 0.000 2.427 523 R HA 0.479 4.800 4.340 -0.031 0.000 0.262 523 R C 1.184 177.477 176.300 -0.012 0.000 0.943 523 R CA 0.206 56.302 56.100 -0.007 0.000 1.081 523 R CB -0.682 29.604 30.300 -0.023 0.000 1.166 523 R HN 0.383 nan 8.270 nan 0.000 0.534 524 G N 2.010 110.814 108.800 0.006 0.000 2.221 524 G HA2 -0.354 3.587 3.960 -0.031 0.000 0.265 524 G HA3 -0.354 3.587 3.960 -0.031 0.000 0.265 524 G C 0.496 175.372 174.900 -0.040 0.000 1.041 524 G CA 0.647 45.757 45.100 0.017 0.000 0.807 524 G HN 0.602 nan 8.290 nan 0.000 0.502 525 E N -1.127 118.985 120.200 -0.147 0.000 2.153 525 E HA -0.079 4.253 4.350 -0.031 0.000 0.194 525 E C 1.876 178.238 176.600 -0.396 0.000 0.988 525 E CA 1.084 57.296 56.400 -0.313 0.000 0.811 525 E CB -0.124 29.283 29.700 -0.489 0.000 0.746 525 E HN 0.640 nan 8.360 nan 0.000 0.466 526 F N 0.086 120.004 119.950 -0.053 0.000 2.259 526 F HA -0.062 4.444 4.527 -0.034 0.000 0.298 526 F C 2.059 177.885 175.800 0.043 0.000 1.088 526 F CA 0.413 58.411 58.000 -0.003 0.000 1.358 526 F CB -0.278 38.706 39.000 -0.027 0.000 1.040 526 F HN 0.128 nan 8.300 nan 0.000 0.505 527 L N 0.345 121.664 121.223 0.160 0.000 2.141 527 L HA -0.070 4.251 4.340 -0.031 0.000 0.209 527 L C 2.248 179.154 176.870 0.060 0.000 1.094 527 L CA 1.622 56.529 54.840 0.113 0.000 0.763 527 L CB -0.479 41.634 42.059 0.090 0.000 0.908 527 L HN -0.036 nan 8.230 nan 0.000 0.437 528 R N -0.786 119.724 120.500 0.016 0.000 2.090 528 R HA 0.036 4.358 4.340 -0.031 0.000 0.228 528 R C 2.265 178.562 176.300 -0.004 0.000 1.110 528 R CA 0.979 57.075 56.100 -0.007 0.000 0.973 528 R CB -0.508 29.766 30.300 -0.043 0.000 0.869 528 R HN 0.469 nan 8.270 nan 0.000 0.440 529 A N 1.549 124.364 122.820 -0.009 0.000 1.902 529 A HA -0.137 4.165 4.320 -0.031 0.000 0.217 529 A C 2.041 179.658 177.584 0.054 0.000 1.181 529 A CA 1.112 53.159 52.037 0.016 0.000 0.623 529 A CB -0.314 18.705 19.000 0.032 0.000 0.818 529 A HN 0.068 nan 8.150 nan 0.000 0.443 530 I N -0.001 120.615 120.570 0.076 0.000 2.142 530 I HA -0.234 3.917 4.170 -0.031 0.000 0.240 530 I C 2.975 179.119 176.117 0.045 0.000 1.078 530 I CA 1.510 62.852 61.300 0.070 0.000 1.343 530 I CB -1.673 36.375 38.000 0.079 0.000 1.046 530 I HN 0.362 nan 8.210 nan 0.000 0.405 531 A N 0.570 123.413 122.820 0.037 0.000 1.908 531 A HA -0.238 4.063 4.320 -0.031 0.000 0.218 531 A C 2.557 180.153 177.584 0.020 0.000 1.181 531 A CA 1.850 53.903 52.037 0.026 0.000 0.627 531 A CB -0.659 18.354 19.000 0.022 0.000 0.818 531 A HN 0.380 nan 8.150 nan 0.000 0.445 532 R N -0.967 119.544 120.500 0.018 0.000 2.119 532 R HA -0.046 4.275 4.340 -0.031 0.000 0.222 532 R C 1.049 177.362 176.300 0.021 0.000 1.088 532 R CA 1.241 57.349 56.100 0.014 0.000 0.984 532 R CB 0.047 30.351 30.300 0.006 0.000 0.884 532 R HN 0.390 nan 8.270 nan 0.000 0.447 533 E N -0.038 120.180 120.200 0.030 0.000 2.460 533 E HA 0.042 4.373 4.350 -0.031 0.000 0.200 533 E C 0.447 177.067 176.600 0.032 0.000 1.011 533 E CA 0.534 56.956 56.400 0.036 0.000 0.912 533 E CB 1.167 30.899 29.700 0.052 0.000 0.953 533 E HN 0.393 nan 8.360 nan 0.000 0.494 534 T N -2.442 112.129 114.554 0.028 0.000 2.831 534 T HA 0.374 4.705 4.350 -0.031 0.000 0.287 534 T C 0.055 174.765 174.700 0.017 0.000 1.070 534 T CA -0.754 61.359 62.100 0.021 0.000 1.010 534 T CB 1.741 70.622 68.868 0.022 0.000 1.264 534 T HN -0.339 nan 8.240 nan 0.000 0.532 535 D N 0.131 120.538 120.400 0.012 0.000 2.363 535 D HA 0.273 4.894 4.640 -0.031 0.000 0.214 535 D C 0.261 176.567 176.300 0.010 0.000 1.093 535 D CA -0.007 53.999 54.000 0.010 0.000 0.837 535 D CB 0.214 41.018 40.800 0.007 0.000 0.948 535 D HN 0.512 nan 8.370 nan 0.000 0.507 536 I N 1.613 122.190 120.570 0.011 0.000 2.471 536 I HA 0.004 4.155 4.170 -0.031 0.000 0.286 536 I C 0.522 176.648 176.117 0.015 0.000 1.079 536 I CA 0.187 61.493 61.300 0.010 0.000 1.398 536 I CB 0.602 38.608 38.000 0.009 0.000 1.403 536 I HN -0.377 nan 8.210 nan 0.000 0.530 537 Q N 7.066 126.873 119.800 0.013 0.000 2.372 537 Q HA 0.482 4.803 4.340 -0.031 0.000 0.259 537 Q C -1.004 175.007 176.000 0.018 0.000 0.993 537 Q CA -0.601 55.212 55.803 0.016 0.000 0.854 537 Q CB 2.057 30.802 28.738 0.013 0.000 1.231 537 Q HN 0.564 nan 8.270 nan 0.000 0.462 538 L N 2.742 123.980 121.223 0.025 0.000 2.350 538 L HA 0.407 4.728 4.340 -0.031 0.000 0.275 538 L C 0.718 177.610 176.870 0.038 0.000 1.099 538 L CA -0.429 54.429 54.840 0.030 0.000 0.808 538 L CB 0.636 42.717 42.059 0.038 0.000 1.149 538 L HN 0.447 nan 8.230 nan 0.000 0.442 539 R N 0.000 120.526 120.500 0.043 0.000 2.786 539 R HA 0.000 4.321 4.340 -0.031 0.000 0.208 539 R CA 0.000 56.135 56.100 0.058 0.000 0.921 539 R CB 0.000 30.338 30.300 0.063 0.000 0.687 539 R HN 0.000 nan 8.270 nan 0.000 0.535