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 2rjs_1_A 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 0.000 177.302 177.300 0.003 0.000 1.155 12 P CA 0.000 63.102 63.100 0.004 0.000 0.800 12 P CB 0.000 31.702 31.700 0.003 0.000 0.726 13 V N 1.032 120.949 119.914 0.004 0.000 2.432 13 V HA 0.416 4.538 4.120 0.003 0.000 0.271 13 V C 0.692 176.787 176.094 0.002 0.000 1.046 13 V CA -0.167 62.135 62.300 0.003 0.000 0.945 13 V CB 1.502 33.327 31.823 0.004 0.000 0.992 13 V HN 0.723 nan 8.190 nan 0.000 0.471 14 S N 4.660 120.361 115.700 0.001 0.000 2.448 14 S HA 0.359 4.831 4.470 0.003 0.000 0.279 14 S C -0.299 174.300 174.600 -0.001 0.000 1.195 14 S CA -0.521 57.679 58.200 -0.000 0.000 1.051 14 S CB 0.554 63.754 63.200 0.000 0.000 0.948 14 S HN 0.513 nan 8.310 nan 0.000 0.493 15 V N 6.342 126.254 119.914 -0.004 0.000 2.259 15 V HA 0.274 4.396 4.120 0.003 0.000 0.267 15 V C 0.031 176.120 176.094 -0.009 0.000 1.051 15 V CA -0.543 61.753 62.300 -0.006 0.000 0.830 15 V CB 0.786 32.604 31.823 -0.009 0.000 1.080 15 V HN 0.963 nan 8.190 nan 0.000 0.467 16 D N 2.026 122.423 120.400 -0.006 0.000 2.469 16 D HA 0.205 4.847 4.640 0.003 0.000 0.213 16 D C 1.501 177.797 176.300 -0.007 0.000 1.135 16 D CA 0.418 54.412 54.000 -0.009 0.000 0.834 16 D CB 0.561 41.358 40.800 -0.005 0.000 1.009 16 D HN 0.616 nan 8.370 nan 0.000 0.507 17 G N 0.290 109.088 108.800 -0.002 0.000 2.166 17 G HA2 -0.327 3.635 3.960 0.003 0.000 0.260 17 G HA3 -0.327 3.635 3.960 0.003 0.000 0.260 17 G C 0.806 175.717 174.900 0.018 0.000 0.986 17 G CA 0.821 45.925 45.100 0.007 0.000 0.683 17 G HN 0.397 nan 8.290 nan 0.000 0.527 18 E N -1.804 118.405 120.200 0.014 0.000 2.571 18 E HA 0.057 4.409 4.350 0.003 0.000 0.204 18 E C 2.054 178.664 176.600 0.018 0.000 0.851 18 E CA 1.350 57.762 56.400 0.020 0.000 1.358 18 E CB -0.097 29.614 29.700 0.019 0.000 1.327 18 E HN 0.742 nan 8.360 nan 0.000 0.665 19 T N -0.762 113.800 114.554 0.013 0.000 3.084 19 T HA 0.282 4.634 4.350 0.003 0.000 0.270 19 T C 0.580 175.287 174.700 0.012 0.000 1.008 19 T CA -0.378 61.730 62.100 0.013 0.000 0.900 19 T CB -0.021 68.853 68.868 0.010 0.000 1.084 19 T HN -0.138 nan 8.240 nan 0.000 0.538 20 L N 4.404 125.634 121.223 0.011 0.000 2.490 20 L HA 0.455 4.797 4.340 0.003 0.000 0.274 20 L C 0.483 177.361 176.870 0.014 0.000 1.201 20 L CA 0.711 55.557 54.840 0.010 0.000 0.869 20 L CB 0.672 42.735 42.059 0.007 0.000 1.123 20 L HN 0.530 nan 8.230 nan 0.000 0.484 21 T N 0.881 115.443 114.554 0.014 0.000 2.942 21 T HA 0.449 4.801 4.350 0.003 0.000 0.289 21 T C 1.157 175.868 174.700 0.019 0.000 1.044 21 T CA -0.510 61.602 62.100 0.019 0.000 1.023 21 T CB 1.206 70.085 68.868 0.018 0.000 1.123 21 T HN 0.269 nan 8.240 nan 0.000 0.512 22 V N 1.104 121.034 119.914 0.026 0.000 2.332 22 V HA -0.122 4.000 4.120 0.003 0.000 0.248 22 V C 2.840 178.948 176.094 0.024 0.000 1.055 22 V CA 1.764 64.081 62.300 0.028 0.000 1.038 22 V CB -0.825 31.023 31.823 0.042 0.000 0.651 22 V HN 0.859 nan 8.190 nan 0.000 0.450 23 E N 0.284 120.499 120.200 0.026 0.000 2.110 23 E HA -0.162 4.190 4.350 0.003 0.000 0.193 23 E C 2.388 178.998 176.600 0.016 0.000 0.988 23 E CA 1.440 57.853 56.400 0.023 0.000 0.804 23 E CB -0.522 29.192 29.700 0.022 0.000 0.745 23 E HN 0.575 nan 8.360 nan 0.000 0.458 24 A N 1.046 123.874 122.820 0.014 0.000 1.883 24 A HA -0.171 4.151 4.320 0.003 0.000 0.217 24 A C 2.632 180.220 177.584 0.008 0.000 1.186 24 A CA 1.664 53.707 52.037 0.010 0.000 0.624 24 A CB -0.791 18.214 19.000 0.009 0.000 0.822 24 A HN 0.144 nan 8.150 nan 0.000 0.444 25 V N 0.054 119.972 119.914 0.008 0.000 2.287 25 V HA -0.314 3.808 4.120 0.003 0.000 0.248 25 V C 2.670 178.766 176.094 0.004 0.000 1.053 25 V CA 2.385 64.687 62.300 0.003 0.000 1.027 25 V CB -0.854 30.969 31.823 0.001 0.000 0.646 25 V HN 0.540 nan 8.190 nan 0.000 0.447 26 R N -0.375 120.130 120.500 0.009 0.000 2.073 26 R HA -0.141 4.201 4.340 0.003 0.000 0.234 26 R C 2.554 178.860 176.300 0.009 0.000 1.134 26 R CA 1.565 57.671 56.100 0.010 0.000 0.952 26 R CB -0.397 29.913 30.300 0.017 0.000 0.850 26 R HN 0.471 nan 8.270 nan 0.000 0.433 27 R N 0.171 120.677 120.500 0.010 0.000 2.096 27 R HA -0.142 4.200 4.340 0.003 0.000 0.240 27 R C 2.325 178.630 176.300 0.007 0.000 1.139 27 R CA 1.689 57.794 56.100 0.008 0.000 0.952 27 R CB -0.545 29.760 30.300 0.008 0.000 0.854 27 R HN 0.073 nan 8.270 nan 0.000 0.436 28 V N 0.612 120.530 119.914 0.007 0.000 2.343 28 V HA -0.237 3.885 4.120 0.003 0.000 0.247 28 V C 2.327 178.425 176.094 0.007 0.000 1.051 28 V CA 2.022 64.327 62.300 0.007 0.000 1.036 28 V CB -0.592 31.234 31.823 0.005 0.000 0.654 28 V HN 0.451 nan 8.190 nan 0.000 0.451 29 A N -0.405 122.417 122.820 0.004 0.000 1.855 29 A HA -0.133 4.189 4.320 0.003 0.000 0.213 29 A C 2.173 179.762 177.584 0.007 0.000 1.195 29 A CA 1.502 53.541 52.037 0.003 0.000 0.610 29 A CB -0.308 18.689 19.000 -0.004 0.000 0.837 29 A HN 0.593 nan 8.150 nan 0.000 0.444 30 E N -0.555 119.650 120.200 0.008 0.000 2.086 30 E HA -0.049 4.303 4.350 0.003 0.000 0.190 30 E C 1.143 177.747 176.600 0.007 0.000 0.975 30 E CA 0.772 57.177 56.400 0.009 0.000 0.813 30 E CB 0.015 29.721 29.700 0.010 0.000 0.768 30 E HN 0.388 nan 8.360 nan 0.000 0.457 31 E N 0.519 120.723 120.200 0.007 0.000 2.465 31 E HA 0.069 4.421 4.350 0.003 0.000 0.191 31 E C -0.245 176.358 176.600 0.006 0.000 1.053 31 E CA -0.092 56.311 56.400 0.005 0.000 0.869 31 E CB 0.364 30.067 29.700 0.005 0.000 0.977 31 E HN 0.101 nan 8.360 nan 0.000 0.483 32 R N -0.295 120.209 120.500 0.008 0.000 3.416 32 R HA -0.185 4.157 4.340 0.003 0.000 0.263 32 R C 0.069 176.374 176.300 0.009 0.000 1.053 32 R CA 0.840 56.945 56.100 0.009 0.000 0.705 32 R CB -2.829 27.475 30.300 0.008 0.000 1.124 32 R HN 0.166 nan 8.270 nan 0.000 0.444 33 A N 0.545 123.370 122.820 0.008 0.000 2.407 33 A HA 0.354 4.676 4.320 0.003 0.000 0.248 33 A C 0.697 178.286 177.584 0.009 0.000 1.082 33 A CA 0.144 52.185 52.037 0.007 0.000 0.785 33 A CB 0.432 19.436 19.000 0.007 0.000 1.020 33 A HN 0.237 nan 8.150 nan 0.000 0.489 34 T N 1.366 115.925 114.554 0.008 0.000 2.919 34 T HA 0.411 4.763 4.350 0.003 0.000 0.302 34 T C 0.403 175.108 174.700 0.008 0.000 1.031 34 T CA 0.309 62.415 62.100 0.009 0.000 1.127 34 T CB 0.430 69.303 68.868 0.008 0.000 0.952 34 T HN 1.144 nan 8.240 nan 0.000 0.540 35 V N 0.490 120.409 119.914 0.009 0.000 2.769 35 V HA 0.843 4.965 4.120 0.003 0.000 0.312 35 V C -0.750 175.346 176.094 0.003 0.000 1.058 35 V CA -1.076 61.227 62.300 0.005 0.000 0.952 35 V CB 2.021 33.847 31.823 0.005 0.000 1.019 35 V HN 0.840 nan 8.190 nan 0.000 0.445 36 D N 1.800 122.200 120.400 -0.000 0.000 2.936 36 D HA 0.523 5.165 4.640 0.003 0.000 0.238 36 D C -1.166 175.130 176.300 -0.007 0.000 1.248 36 D CA -0.360 53.639 54.000 -0.003 0.000 0.903 36 D CB 2.311 43.110 40.800 -0.001 0.000 1.544 36 D HN 0.614 nan 8.370 nan 0.000 0.543 37 V N 5.213 125.121 119.914 -0.010 0.000 2.432 37 V HA 0.388 4.510 4.120 0.003 0.000 0.271 37 V C -1.820 174.265 176.094 -0.014 0.000 1.046 37 V CA -1.305 60.986 62.300 -0.015 0.000 0.945 37 V CB 0.918 32.728 31.823 -0.022 0.000 0.992 37 V HN 0.601 nan 8.190 nan 0.000 0.471 38 P HA 0.130 nan 4.420 nan 0.000 0.269 38 P C 0.700 177.991 177.300 -0.014 0.000 1.209 38 P CA 0.001 63.094 63.100 -0.011 0.000 0.776 38 P CB 0.818 32.512 31.700 -0.009 0.000 0.876 39 A N 3.064 125.877 122.820 -0.011 0.000 1.940 39 A HA -0.244 4.078 4.320 0.003 0.000 0.219 39 A C 1.780 179.356 177.584 -0.014 0.000 1.176 39 A CA 1.805 53.835 52.037 -0.012 0.000 0.631 39 A CB -1.016 17.979 19.000 -0.008 0.000 0.814 39 A HN 0.589 nan 8.150 nan 0.000 0.446 40 E N 0.105 120.297 120.200 -0.012 0.000 2.077 40 E HA -0.100 4.252 4.350 0.003 0.000 0.193 40 E C 2.262 178.849 176.600 -0.022 0.000 0.989 40 E CA 1.533 57.925 56.400 -0.013 0.000 0.800 40 E CB -0.342 29.353 29.700 -0.009 0.000 0.746 40 E HN 0.534 nan 8.360 nan 0.000 0.452 41 S N 0.378 116.063 115.700 -0.025 0.000 2.357 41 S HA -0.030 4.442 4.470 0.003 0.000 0.221 41 S C 1.980 176.554 174.600 -0.042 0.000 1.031 41 S CA 0.649 58.827 58.200 -0.037 0.000 0.982 41 S CB -0.210 62.971 63.200 -0.033 0.000 0.853 41 S HN 0.255 nan 8.310 nan 0.000 0.458 42 I N 1.120 121.669 120.570 -0.034 0.000 2.567 42 I HA -0.181 3.991 4.170 0.003 0.000 0.257 42 I C 2.104 178.200 176.117 -0.035 0.000 1.184 42 I CA 0.921 62.200 61.300 -0.036 0.000 1.451 42 I CB -0.227 37.756 38.000 -0.028 0.000 1.089 42 I HN 0.287 nan 8.210 nan 0.000 0.441 43 A N 0.568 123.370 122.820 -0.030 0.000 1.878 43 A HA -0.165 4.157 4.320 0.003 0.000 0.213 43 A C 2.309 179.875 177.584 -0.030 0.000 1.192 43 A CA 1.134 53.156 52.037 -0.025 0.000 0.619 43 A CB -0.450 18.540 19.000 -0.016 0.000 0.837 43 A HN 0.397 nan 8.150 nan 0.000 0.446 44 K N 0.031 120.410 120.400 -0.036 0.000 2.515 44 K HA 0.087 4.409 4.320 0.003 0.000 0.196 44 K C 1.644 178.202 176.600 -0.070 0.000 1.038 44 K CA 0.949 57.210 56.287 -0.043 0.000 0.967 44 K CB -0.190 32.280 32.500 -0.050 0.000 0.780 44 K HN 0.353 nan 8.250 nan 0.000 0.483 45 A N 1.386 124.161 122.820 -0.074 0.000 1.943 45 A HA -0.133 4.189 4.320 0.003 0.000 0.213 45 A C 2.060 179.589 177.584 -0.092 0.000 1.181 45 A CA 0.807 52.788 52.037 -0.095 0.000 0.653 45 A CB -0.376 18.574 19.000 -0.083 0.000 0.833 45 A HN 0.589 nan 8.150 nan 0.000 0.451 46 Q N 0.383 120.144 119.800 -0.064 0.000 2.119 46 Q HA -0.177 4.165 4.340 0.003 0.000 0.201 46 Q C 1.640 177.605 176.000 -0.059 0.000 0.972 46 Q CA 1.637 57.408 55.803 -0.053 0.000 0.847 46 Q CB -0.372 28.345 28.738 -0.034 0.000 0.903 46 Q HN 0.608 nan 8.270 nan 0.000 0.433 47 K N 1.117 121.487 120.400 -0.051 0.000 1.973 47 K HA -0.092 4.230 4.320 0.003 0.000 0.212 47 K C 2.432 178.976 176.600 -0.094 0.000 1.047 47 K CA 1.772 58.038 56.287 -0.036 0.000 0.937 47 K CB -0.217 32.284 32.500 0.002 0.000 0.721 47 K HN 0.139 nan 8.250 nan 0.000 0.440 48 S N 1.217 116.828 115.700 -0.148 0.000 2.372 48 S HA -0.239 4.233 4.470 0.003 0.000 0.227 48 S C 1.973 176.255 174.600 -0.529 0.000 1.044 48 S CA 1.781 59.718 58.200 -0.439 0.000 1.050 48 S CB -0.365 62.635 63.200 -0.333 0.000 0.901 48 S HN 0.227 nan 8.310 nan 0.000 0.447 49 R N 1.492 121.831 120.500 -0.268 0.000 2.103 49 R HA -0.089 4.253 4.340 0.003 0.000 0.242 49 R C 2.056 178.315 176.300 -0.068 0.000 1.142 49 R CA 1.885 57.905 56.100 -0.133 0.000 0.960 49 R CB -0.677 29.578 30.300 -0.074 0.000 0.858 49 R HN 0.561 nan 8.270 nan 0.000 0.439 50 E N -0.488 119.664 120.200 -0.080 0.000 2.051 50 E HA -0.157 4.195 4.350 0.003 0.000 0.192 50 E C 2.013 178.586 176.600 -0.044 0.000 0.991 50 E CA 1.704 58.080 56.400 -0.040 0.000 0.799 50 E CB -0.148 29.538 29.700 -0.023 0.000 0.748 50 E HN 0.365 nan 8.360 nan 0.000 0.449 51 I N 0.322 120.850 120.570 -0.071 0.000 2.163 51 I HA -0.246 3.926 4.170 0.003 0.000 0.240 51 I C 2.327 178.435 176.117 -0.014 0.000 1.081 51 I CA 0.831 62.137 61.300 0.011 0.000 1.353 51 I CB -0.320 37.800 38.000 0.201 0.000 1.054 51 I HN 0.111 nan 8.210 nan 0.000 0.407 52 F N 1.970 121.694 119.950 -0.378 0.000 2.091 52 F HA -0.297 4.232 4.527 0.003 0.000 0.299 52 F C 2.499 178.208 175.800 -0.151 0.000 1.103 52 F CA 2.152 59.998 58.000 -0.257 0.000 1.228 52 F CB -0.360 38.377 39.000 -0.439 0.000 0.984 52 F HN 0.053 nan 8.300 nan 0.000 0.477 53 E N -0.427 119.684 120.200 -0.150 0.000 2.160 53 E HA -0.158 4.194 4.350 0.003 0.000 0.195 53 E C 2.338 178.787 176.600 -0.250 0.000 0.991 53 E CA 1.042 57.325 56.400 -0.195 0.000 0.810 53 E CB -0.649 29.059 29.700 0.013 0.000 0.742 53 E HN 0.543 nan 8.360 nan 0.000 0.466 54 G N 0.121 108.823 108.800 -0.163 0.000 2.572 54 G HA2 -0.109 3.853 3.960 0.003 0.000 0.216 54 G HA3 -0.109 3.853 3.960 0.003 0.000 0.216 54 G C 1.408 176.207 174.900 -0.167 0.000 1.133 54 G CA 0.108 45.135 45.100 -0.122 0.000 0.791 54 G HN 0.197 nan 8.290 nan 0.000 0.538 55 I N 0.749 121.168 120.570 -0.252 0.000 2.480 55 I HA 0.028 4.200 4.170 0.003 0.000 0.251 55 I C 3.017 178.899 176.117 -0.392 0.000 1.124 55 I CA 0.735 61.885 61.300 -0.250 0.000 1.444 55 I CB 0.048 37.935 38.000 -0.190 0.000 1.098 55 I HN 0.195 nan 8.210 nan 0.000 0.428 56 A N 0.292 122.711 122.820 -0.669 0.000 2.066 56 A HA -0.095 4.227 4.320 0.003 0.000 0.218 56 A C 2.061 179.292 177.584 -0.589 0.000 1.157 56 A CA 0.955 52.495 52.037 -0.828 0.000 0.670 56 A CB -0.242 17.832 19.000 -1.544 0.000 0.804 56 A HN 0.260 nan 8.150 nan 0.000 0.453 57 E N 0.383 120.350 120.200 -0.388 0.000 2.204 57 E HA -0.157 4.195 4.350 0.003 0.000 0.194 57 E C 1.386 177.909 176.600 -0.128 0.000 0.989 57 E CA 0.888 57.176 56.400 -0.187 0.000 0.824 57 E CB -0.301 29.332 29.700 -0.111 0.000 0.756 57 E HN 0.783 nan 8.360 nan 0.000 0.477 58 Q N 0.363 120.077 119.800 -0.144 0.000 2.373 58 Q HA 0.072 4.414 4.340 0.003 0.000 0.206 58 Q C -0.301 175.646 176.000 -0.088 0.000 0.942 58 Q CA -0.230 55.518 55.803 -0.093 0.000 0.953 58 Q CB -0.353 28.337 28.738 -0.080 0.000 1.022 58 Q HN 0.262 nan 8.270 nan 0.000 0.502 59 N N 1.312 119.943 118.700 -0.114 0.000 2.708 59 N HA -0.191 4.551 4.740 0.003 0.000 0.251 59 N C -0.429 175.039 175.510 -0.069 0.000 1.017 59 N CA 0.127 53.126 53.050 -0.085 0.000 0.742 59 N CB -0.944 37.519 38.487 -0.039 0.000 0.943 59 N HN 0.488 nan 8.380 nan 0.000 0.539 60 I N -3.126 117.392 120.570 -0.087 0.000 2.662 60 I HA 0.501 4.673 4.170 0.003 0.000 0.291 60 I C -2.107 173.986 176.117 -0.040 0.000 1.046 60 I CA -2.153 59.114 61.300 -0.055 0.000 1.361 60 I CB 0.892 38.863 38.000 -0.049 0.000 1.429 60 I HN -0.211 nan 8.210 nan 0.000 0.558 61 P HA 0.261 nan 4.420 nan 0.000 0.261 61 P C -0.955 176.381 177.300 0.061 0.000 1.203 61 P CA 0.596 63.703 63.100 0.011 0.000 0.767 61 P CB 0.164 31.864 31.700 0.001 0.000 0.785 62 I N 3.713 124.343 120.570 0.101 0.000 2.548 62 I HA 0.187 4.359 4.170 0.003 0.000 0.287 62 I C -0.367 175.888 176.117 0.229 0.000 1.103 62 I CA -1.241 60.201 61.300 0.237 0.000 1.049 62 I CB 1.536 39.639 38.000 0.173 0.000 1.232 62 I HN 0.244 nan 8.210 nan 0.000 0.429 63 Y N 5.843 126.312 120.300 0.282 0.000 2.717 63 Y HA 0.265 4.817 4.550 0.004 0.000 0.330 63 Y C 1.392 177.321 175.900 0.048 0.000 1.217 63 Y CA 1.549 59.724 58.100 0.126 0.000 1.506 63 Y CB 0.601 39.165 38.460 0.172 0.000 1.268 63 Y HN 0.863 nan 8.280 nan 0.000 0.561 64 G N 3.061 111.238 108.800 -1.039 0.000 2.245 64 G HA2 -0.321 3.641 3.960 0.003 0.000 0.264 64 G HA3 -0.321 3.641 3.960 0.003 0.000 0.264 64 G C 0.617 175.352 174.900 -0.274 0.000 0.985 64 G CA 0.703 45.318 45.100 -0.809 0.000 0.625 64 G HN 0.751 nan 8.290 nan 0.000 0.536 65 V N 0.223 120.074 119.914 -0.105 0.000 3.048 65 V HA 0.275 4.397 4.120 0.003 0.000 0.241 65 V C 1.890 178.016 176.094 0.055 0.000 1.129 65 V CA 2.405 64.764 62.300 0.099 0.000 1.128 65 V CB 0.729 32.680 31.823 0.214 0.000 0.849 65 V HN 1.037 nan 8.190 nan 0.000 0.475 66 T N -1.466 113.068 114.554 -0.034 0.000 3.516 66 T HA 0.387 4.739 4.350 0.003 0.000 0.300 66 T C 0.030 174.681 174.700 -0.083 0.000 0.995 66 T CA 0.371 62.451 62.100 -0.034 0.000 0.982 66 T CB 0.131 68.986 68.868 -0.021 0.000 1.199 66 T HN 0.513 nan 8.240 nan 0.000 0.481 67 T N -2.487 111.953 114.554 -0.190 0.000 2.762 67 T HA 0.777 5.129 4.350 0.003 0.000 0.301 67 T C 0.453 174.909 174.700 -0.406 0.000 1.299 67 T CA -0.337 61.639 62.100 -0.206 0.000 1.005 67 T CB 1.244 70.058 68.868 -0.090 0.000 1.377 67 T HN 0.355 nan 8.240 nan 0.000 0.504 68 G N -0.648 107.957 108.800 -0.324 0.000 2.621 68 G HA2 0.518 4.480 3.960 0.003 0.000 0.271 68 G HA3 0.518 4.480 3.960 0.003 0.000 0.271 68 G C -1.366 173.272 174.900 -0.437 0.000 1.236 68 G CA -0.626 44.254 45.100 -0.367 0.000 0.958 68 G HN 0.634 nan 8.290 nan 0.000 0.512 69 Y N -0.426 119.847 120.300 -0.045 0.000 2.387 69 Y HA 0.505 5.057 4.550 0.003 0.000 0.336 69 Y C 1.167 177.165 175.900 0.163 0.000 1.067 69 Y CA 0.513 58.639 58.100 0.045 0.000 1.114 69 Y CB 1.655 40.087 38.460 -0.047 0.000 1.208 69 Y HN 1.154 nan 8.280 nan 0.000 0.458 70 G N 2.094 111.164 108.800 0.450 0.000 2.561 70 G HA2 -0.460 3.502 3.960 0.003 0.000 0.289 70 G HA3 -0.460 3.502 3.960 0.003 0.000 0.289 70 G C 1.100 176.102 174.900 0.171 0.000 1.169 70 G CA 0.819 46.059 45.100 0.233 0.000 0.980 70 G HN 0.698 nan 8.290 nan 0.000 0.550 71 E N 0.691 120.979 120.200 0.146 0.000 2.268 71 E HA 0.119 4.471 4.350 0.003 0.000 0.195 71 E C 2.490 179.193 176.600 0.172 0.000 0.995 71 E CA 1.747 58.252 56.400 0.174 0.000 0.836 71 E CB -0.244 29.564 29.700 0.179 0.000 0.763 71 E HN 0.531 nan 8.360 nan 0.000 0.491 72 M N 0.412 120.002 119.600 -0.016 0.000 2.639 72 M HA 0.144 4.626 4.480 0.003 0.000 0.220 72 M C 1.553 177.565 176.300 -0.479 0.000 1.155 72 M CA 0.104 55.117 55.300 -0.479 0.000 1.003 72 M CB 0.028 32.458 32.600 -0.283 0.000 1.725 72 M HN 0.204 nan 8.290 nan 0.000 0.489 73 I N 0.561 121.062 120.570 -0.116 0.000 2.850 73 I HA -0.281 3.891 4.170 0.003 0.000 0.266 73 I C 1.895 178.001 176.117 -0.019 0.000 1.257 73 I CA 1.324 62.638 61.300 0.023 0.000 1.465 73 I CB 0.030 38.148 38.000 0.198 0.000 1.091 73 I HN 0.415 nan 8.210 nan 0.000 0.467 74 Y N -0.934 119.400 120.300 0.056 0.000 2.516 74 Y HA 0.164 4.715 4.550 0.003 0.000 0.291 74 Y C 1.030 176.944 175.900 0.023 0.000 1.131 74 Y CA -0.317 57.804 58.100 0.035 0.000 1.281 74 Y CB -0.768 37.710 38.460 0.029 0.000 1.013 74 Y HN -0.034 nan 8.280 nan 0.000 0.554 75 M N 3.224 122.609 119.600 -0.359 0.000 2.220 75 M HA 0.130 4.612 4.480 0.003 0.000 0.343 75 M C -0.556 175.684 176.300 -0.099 0.000 1.470 75 M CA -0.203 54.983 55.300 -0.190 0.000 1.161 75 M CB 0.456 32.888 32.600 -0.281 0.000 1.737 75 M HN 0.283 nan 8.290 nan 0.000 0.464 76 Q N 2.946 122.729 119.800 -0.027 0.000 2.286 76 Q HA 0.473 4.815 4.340 0.003 0.000 0.257 76 Q C -0.573 175.408 176.000 -0.032 0.000 0.941 76 Q CA -0.241 55.547 55.803 -0.024 0.000 0.912 76 Q CB 1.393 30.134 28.738 0.005 0.000 1.192 76 Q HN 0.437 nan 8.270 nan 0.000 0.410 77 V N 2.645 122.533 119.914 -0.043 0.000 2.448 77 V HA 0.176 4.298 4.120 0.003 0.000 0.295 77 V C 0.172 176.264 176.094 -0.004 0.000 1.025 77 V CA -0.940 61.341 62.300 -0.032 0.000 0.859 77 V CB 2.009 33.798 31.823 -0.058 0.000 0.988 77 V HN 0.707 nan 8.190 nan 0.000 0.431 78 D N 3.652 124.057 120.400 0.009 0.000 2.372 78 D HA 0.067 4.709 4.640 0.003 0.000 0.243 78 D C 1.211 177.548 176.300 0.062 0.000 1.121 78 D CA -0.360 53.656 54.000 0.026 0.000 0.898 78 D CB 1.404 42.216 40.800 0.019 0.000 1.202 78 D HN 0.748 nan 8.370 nan 0.000 0.428 79 K N 0.463 120.922 120.400 0.098 0.000 2.442 79 K HA -0.141 4.181 4.320 0.003 0.000 0.199 79 K C 1.347 178.038 176.600 0.152 0.000 1.044 79 K CA 1.367 57.789 56.287 0.225 0.000 0.941 79 K CB -0.137 32.505 32.500 0.237 0.000 0.759 79 K HN 0.239 nan 8.250 nan 0.000 0.472 80 S N 0.275 116.015 115.700 0.067 0.000 2.555 80 S HA 0.074 4.546 4.470 0.003 0.000 0.230 80 S C 1.037 175.630 174.600 -0.013 0.000 0.978 80 S CA 0.073 58.285 58.200 0.020 0.000 0.934 80 S CB 0.111 63.319 63.200 0.014 0.000 0.766 80 S HN 0.195 nan 8.310 nan 0.000 0.533 81 K N 1.341 121.738 120.400 -0.005 0.000 2.440 81 K HA 0.298 4.620 4.320 0.003 0.000 0.206 81 K C 1.300 177.863 176.600 -0.062 0.000 1.025 81 K CA -0.098 56.174 56.287 -0.025 0.000 1.135 81 K CB 0.009 32.505 32.500 -0.006 0.000 0.856 81 K HN 0.585 nan 8.250 nan 0.000 0.502 82 E N 0.950 121.066 120.200 -0.139 0.000 2.072 82 E HA -0.230 4.122 4.350 0.003 0.000 0.218 82 E C 1.466 177.917 176.600 -0.249 0.000 1.051 82 E CA 2.104 58.294 56.400 -0.349 0.000 0.880 82 E CB 0.163 29.363 29.700 -0.833 0.000 0.783 82 E HN -0.027 nan 8.360 nan 0.000 0.473 83 V N 0.901 120.685 119.914 -0.217 0.000 2.427 83 V HA -0.198 3.924 4.120 0.003 0.000 0.248 83 V C 2.388 178.434 176.094 -0.080 0.000 1.051 83 V CA 2.030 64.245 62.300 -0.142 0.000 1.048 83 V CB -0.554 31.195 31.823 -0.123 0.000 0.666 83 V HN 0.347 nan 8.190 nan 0.000 0.456 84 E N -0.137 120.025 120.200 -0.063 0.000 2.072 84 E HA -0.235 4.117 4.350 0.003 0.000 0.191 84 E C 2.193 178.791 176.600 -0.004 0.000 0.985 84 E CA 1.275 57.656 56.400 -0.031 0.000 0.801 84 E CB -0.060 29.625 29.700 -0.024 0.000 0.750 84 E HN 0.435 nan 8.360 nan 0.000 0.452 85 L N 1.352 122.581 121.223 0.010 0.000 1.970 85 L HA -0.257 4.085 4.340 0.003 0.000 0.212 85 L C 2.339 179.280 176.870 0.119 0.000 1.071 85 L CA 1.830 56.718 54.840 0.079 0.000 0.751 85 L CB -0.514 41.582 42.059 0.062 0.000 0.889 85 L HN 0.118 nan 8.230 nan 0.000 0.432 86 Q N -0.883 118.957 119.800 0.066 0.000 2.135 86 Q HA -0.173 4.169 4.340 0.003 0.000 0.204 86 Q C 2.083 178.056 176.000 -0.044 0.000 0.981 86 Q CA 2.207 58.024 55.803 0.022 0.000 0.856 86 Q CB -0.934 27.801 28.738 -0.005 0.000 0.902 86 Q HN 0.605 nan 8.270 nan 0.000 0.425 87 T N 1.629 116.162 114.554 -0.035 0.000 2.732 87 T HA -0.058 4.294 4.350 0.003 0.000 0.261 87 T C 1.593 176.267 174.700 -0.042 0.000 1.040 87 T CA 1.107 63.179 62.100 -0.046 0.000 1.145 87 T CB -0.222 68.621 68.868 -0.041 0.000 0.866 87 T HN 0.226 nan 8.240 nan 0.000 0.427 88 N N 1.556 120.247 118.700 -0.016 0.000 2.094 88 N HA -0.078 4.664 4.740 0.003 0.000 0.191 88 N C 1.746 177.249 175.510 -0.012 0.000 1.023 88 N CA 0.711 53.761 53.050 -0.000 0.000 0.857 88 N CB -0.747 37.759 38.487 0.032 0.000 1.013 88 N HN 0.231 nan 8.380 nan 0.000 0.426 89 L N 0.812 121.989 121.223 -0.076 0.000 1.970 89 L HA -0.113 4.229 4.340 0.003 0.000 0.212 89 L C 2.013 178.780 176.870 -0.171 0.000 1.071 89 L CA 1.480 56.167 54.840 -0.256 0.000 0.751 89 L CB -0.781 40.861 42.059 -0.695 0.000 0.889 89 L HN -0.059 nan 8.230 nan 0.000 0.432 90 V N 0.191 120.006 119.914 -0.166 0.000 2.392 90 V HA -0.283 3.839 4.120 0.003 0.000 0.249 90 V C 2.780 178.830 176.094 -0.073 0.000 1.059 90 V CA 2.200 64.429 62.300 -0.119 0.000 1.051 90 V CB -0.773 30.987 31.823 -0.105 0.000 0.658 90 V HN 0.475 nan 8.190 nan 0.000 0.455 91 R N 0.546 121.011 120.500 -0.058 0.000 2.075 91 R HA -0.075 4.267 4.340 0.003 0.000 0.226 91 R C 2.489 178.769 176.300 -0.033 0.000 1.114 91 R CA 1.565 57.632 56.100 -0.055 0.000 0.972 91 R CB -0.506 29.767 30.300 -0.045 0.000 0.869 91 R HN 0.678 nan 8.270 nan 0.000 0.437 92 S N -0.308 115.398 115.700 0.011 0.000 2.522 92 S HA -0.055 4.417 4.470 0.003 0.000 0.227 92 S C 1.108 175.673 174.600 -0.058 0.000 0.986 92 S CA 0.761 58.960 58.200 -0.001 0.000 0.929 92 S CB -0.108 63.108 63.200 0.026 0.000 0.769 92 S HN 0.375 nan 8.310 nan 0.000 0.529 93 H N 0.628 119.640 119.070 -0.097 0.000 2.705 93 H HA 0.435 4.992 4.556 0.003 0.000 0.269 93 H C 0.355 175.647 175.328 -0.061 0.000 0.998 93 H CA -0.044 55.956 56.048 -0.079 0.000 1.193 93 H CB 0.347 30.042 29.762 -0.111 0.000 1.485 93 H HN 0.272 nan 8.280 nan 0.000 0.521 94 S N 1.248 116.925 115.700 -0.038 0.000 4.051 94 S HA 0.298 4.770 4.470 0.003 0.000 0.215 94 S C 0.748 175.326 174.600 -0.037 0.000 1.289 94 S CA 0.187 58.251 58.200 -0.227 0.000 0.907 94 S CB -0.465 62.435 63.200 -0.500 0.000 1.603 94 S HN 0.468 nan 8.310 nan 0.000 0.453 95 A N 1.738 124.630 122.820 0.121 0.000 2.749 95 A HA 0.575 4.897 4.320 0.003 0.000 0.299 95 A C 0.885 178.563 177.584 0.157 0.000 1.105 95 A CA -0.486 51.618 52.037 0.111 0.000 0.987 95 A CB 0.026 19.031 19.000 0.008 0.000 1.180 95 A HN 0.601 nan 8.150 nan 0.000 0.528 96 G N -0.004 108.989 108.800 0.321 0.000 2.467 96 G HA2 0.516 4.478 3.960 0.003 0.000 0.257 96 G HA3 0.516 4.478 3.960 0.003 0.000 0.257 96 G C 0.121 175.006 174.900 -0.025 0.000 1.227 96 G CA 0.464 45.605 45.100 0.068 0.000 0.835 96 G HN 1.166 nan 8.290 nan 0.000 0.556 97 V N -0.226 119.649 119.914 -0.064 0.000 3.156 97 V HA 1.036 5.158 4.120 0.003 0.000 0.311 97 V C 0.845 176.868 176.094 -0.118 0.000 1.208 97 V CA 0.153 62.408 62.300 -0.075 0.000 1.063 97 V CB 1.039 32.836 31.823 -0.043 0.000 1.098 97 V HN 2.477 nan 8.190 nan 0.000 0.452 98 G N 0.791 109.526 108.800 -0.108 0.000 2.660 98 G HA2 -0.029 3.933 3.960 0.003 0.000 0.215 98 G HA3 -0.029 3.933 3.960 0.003 0.000 0.215 98 G C -2.814 171.991 174.900 -0.158 0.000 1.345 98 G CA -0.221 44.803 45.100 -0.127 0.000 0.877 98 G HN 1.049 nan 8.290 nan 0.000 0.549 99 P HA 0.536 nan 4.420 nan 0.000 0.273 99 P C 0.075 177.223 177.300 -0.254 0.000 1.250 99 P CA -0.478 62.512 63.100 -0.184 0.000 0.793 99 P CB 0.341 31.940 31.700 -0.168 0.000 1.011 100 L N 0.744 121.851 121.223 -0.193 0.000 2.325 100 L HA 0.376 4.718 4.340 0.003 0.000 0.279 100 L C 0.383 177.171 176.870 -0.136 0.000 1.054 100 L CA -0.774 53.965 54.840 -0.168 0.000 0.804 100 L CB 0.167 42.178 42.059 -0.080 0.000 1.200 100 L HN 0.234 nan 8.230 nan 0.000 0.436 101 F N 1.326 121.253 119.950 -0.038 0.000 2.545 101 F HA 0.228 4.757 4.527 0.003 0.000 0.348 101 F C 1.048 176.841 175.800 -0.012 0.000 1.163 101 F CA 0.081 58.069 58.000 -0.020 0.000 1.331 101 F CB 0.521 39.514 39.000 -0.013 0.000 1.138 101 F HN 0.513 nan 8.300 nan 0.000 0.602 102 A N 2.359 125.317 122.820 0.230 0.000 2.386 102 A HA 0.125 4.447 4.320 0.003 0.000 0.246 102 A C 1.525 179.171 177.584 0.102 0.000 1.089 102 A CA -0.176 51.932 52.037 0.120 0.000 0.790 102 A CB -0.010 19.046 19.000 0.093 0.000 1.042 102 A HN 0.931 nan 8.150 nan 0.000 0.497 103 E N -0.035 120.204 120.200 0.064 0.000 2.070 103 E HA -0.290 4.062 4.350 0.003 0.000 0.197 103 E C 1.342 177.964 176.600 0.037 0.000 1.004 103 E CA 2.140 58.569 56.400 0.048 0.000 0.805 103 E CB -0.097 29.622 29.700 0.032 0.000 0.744 103 E HN 0.858 nan 8.360 nan 0.000 0.451 104 D N -0.035 120.384 120.400 0.031 0.000 2.178 104 D HA -0.199 4.443 4.640 0.003 0.000 0.201 104 D C 1.428 177.727 176.300 -0.001 0.000 0.980 104 D CA 1.292 55.302 54.000 0.017 0.000 0.842 104 D CB -0.491 40.320 40.800 0.018 0.000 0.948 104 D HN 0.375 nan 8.370 nan 0.000 0.472 105 E N 0.561 120.764 120.200 0.006 0.000 2.072 105 E HA -0.020 4.332 4.350 0.003 0.000 0.190 105 E C 2.292 178.806 176.600 -0.142 0.000 0.982 105 E CA 1.046 57.403 56.400 -0.071 0.000 0.803 105 E CB -0.190 29.504 29.700 -0.010 0.000 0.755 105 E HN 0.385 nan 8.360 nan 0.000 0.453 106 A N 1.663 124.457 122.820 -0.043 0.000 1.902 106 A HA -0.207 4.115 4.320 0.003 0.000 0.217 106 A C 2.094 179.662 177.584 -0.026 0.000 1.181 106 A CA 1.420 53.441 52.037 -0.027 0.000 0.623 106 A CB -0.417 18.621 19.000 0.064 0.000 0.818 106 A HN 0.065 nan 8.150 nan 0.000 0.443 107 R N -0.575 119.921 120.500 -0.006 0.000 2.096 107 R HA -0.053 4.289 4.340 0.003 0.000 0.235 107 R C 2.463 178.751 176.300 -0.020 0.000 1.127 107 R CA 1.137 57.238 56.100 0.002 0.000 0.968 107 R CB -0.464 29.843 30.300 0.012 0.000 0.861 107 R HN 0.516 nan 8.270 nan 0.000 0.440 108 A N 1.213 124.007 122.820 -0.044 0.000 1.933 108 A HA -0.157 4.165 4.320 0.003 0.000 0.218 108 A C 2.125 179.668 177.584 -0.069 0.000 1.175 108 A CA 1.262 53.267 52.037 -0.054 0.000 0.628 108 A CB -0.473 18.485 19.000 -0.069 0.000 0.814 108 A HN 0.186 nan 8.150 nan 0.000 0.444 109 I N -0.611 119.896 120.570 -0.105 0.000 2.163 109 I HA -0.206 3.966 4.170 0.003 0.000 0.240 109 I C 2.353 178.440 176.117 -0.051 0.000 1.081 109 I CA 1.184 62.421 61.300 -0.105 0.000 1.353 109 I CB -0.410 37.493 38.000 -0.162 0.000 1.054 109 I HN 0.148 nan 8.210 nan 0.000 0.407 110 V N 1.183 121.081 119.914 -0.027 0.000 2.392 110 V HA -0.322 3.800 4.120 0.003 0.000 0.249 110 V C 2.719 178.804 176.094 -0.015 0.000 1.059 110 V CA 2.024 64.319 62.300 -0.008 0.000 1.051 110 V CB -1.051 30.785 31.823 0.023 0.000 0.658 110 V HN 0.508 nan 8.190 nan 0.000 0.455 111 A N 0.008 122.820 122.820 -0.014 0.000 1.902 111 A HA -0.131 4.191 4.320 0.003 0.000 0.217 111 A C 2.430 180.004 177.584 -0.017 0.000 1.181 111 A CA 2.109 54.138 52.037 -0.013 0.000 0.623 111 A CB -0.799 18.195 19.000 -0.010 0.000 0.818 111 A HN 0.585 nan 8.150 nan 0.000 0.443 112 A N -0.714 122.093 122.820 -0.022 0.000 1.972 112 A HA -0.119 4.203 4.320 0.003 0.000 0.219 112 A C 2.182 179.756 177.584 -0.016 0.000 1.169 112 A CA 2.041 54.066 52.037 -0.019 0.000 0.635 112 A CB -0.385 18.599 19.000 -0.027 0.000 0.810 112 A HN 0.432 nan 8.150 nan 0.000 0.446 113 R N -0.549 119.939 120.500 -0.020 0.000 2.062 113 R HA -0.027 4.315 4.340 0.003 0.000 0.229 113 R C 1.942 178.228 176.300 -0.024 0.000 1.128 113 R CA 1.484 57.573 56.100 -0.020 0.000 0.960 113 R CB -0.953 29.333 30.300 -0.023 0.000 0.855 113 R HN 0.424 nan 8.270 nan 0.000 0.432 114 L N 1.328 122.534 121.223 -0.029 0.000 2.042 114 L HA -0.174 4.168 4.340 0.003 0.000 0.210 114 L C 1.865 178.719 176.870 -0.027 0.000 1.076 114 L CA 2.065 56.885 54.840 -0.034 0.000 0.749 114 L CB -0.973 41.066 42.059 -0.033 0.000 0.893 114 L HN 0.382 nan 8.230 nan 0.000 0.432 115 N N -1.522 117.167 118.700 -0.018 0.000 2.223 115 N HA -0.182 4.560 4.740 0.003 0.000 0.185 115 N C 1.505 177.010 175.510 -0.008 0.000 1.016 115 N CA 1.774 54.817 53.050 -0.012 0.000 0.863 115 N CB 0.110 38.593 38.487 -0.006 0.000 0.983 115 N HN 0.479 nan 8.380 nan 0.000 0.429 116 T N 1.693 116.243 114.554 -0.006 0.000 2.737 116 T HA -0.008 4.344 4.350 0.003 0.000 0.265 116 T C 2.024 176.721 174.700 -0.005 0.000 1.038 116 T CA 0.702 62.803 62.100 0.003 0.000 1.144 116 T CB -0.098 68.774 68.868 0.006 0.000 0.866 116 T HN 0.190 nan 8.240 nan 0.000 0.434 117 L N 0.848 122.058 121.223 -0.023 0.000 2.141 117 L HA 0.034 4.376 4.340 0.003 0.000 0.209 117 L C 2.895 179.734 176.870 -0.052 0.000 1.094 117 L CA 0.874 55.688 54.840 -0.043 0.000 0.763 117 L CB -0.659 41.368 42.059 -0.054 0.000 0.908 117 L HN 0.221 nan 8.230 nan 0.000 0.437 118 A N -0.134 122.661 122.820 -0.041 0.000 2.172 118 A HA -0.177 4.145 4.320 0.003 0.000 0.216 118 A C 2.333 179.888 177.584 -0.048 0.000 1.154 118 A CA 1.097 53.108 52.037 -0.044 0.000 0.701 118 A CB -0.360 18.621 19.000 -0.031 0.000 0.789 118 A HN 0.306 nan 8.150 nan 0.000 0.465 119 K N -1.031 119.347 120.400 -0.038 0.000 2.288 119 K HA 0.066 4.388 4.320 0.003 0.000 0.201 119 K C 1.149 177.654 176.600 -0.159 0.000 1.048 119 K CA 0.851 57.117 56.287 -0.035 0.000 0.956 119 K CB -0.238 32.296 32.500 0.056 0.000 0.746 119 K HN 0.675 nan 8.250 nan 0.000 0.461 120 G N 0.397 109.098 108.800 -0.165 0.000 2.141 120 G HA2 -0.216 3.746 3.960 0.003 0.000 0.242 120 G HA3 -0.216 3.746 3.960 0.003 0.000 0.242 120 G C 0.267 174.962 174.900 -0.341 0.000 0.982 120 G CA 0.392 45.344 45.100 -0.246 0.000 0.662 120 G HN 0.472 nan 8.290 nan 0.000 0.527 121 H N -0.218 118.793 119.070 -0.098 0.000 2.586 121 H HA 0.309 4.867 4.556 0.004 0.000 0.273 121 H C 2.030 177.254 175.328 -0.172 0.000 0.997 121 H CA 0.853 56.797 56.048 -0.172 0.000 1.177 121 H CB 0.629 30.231 29.762 -0.266 0.000 1.471 121 H HN 0.395 nan 8.280 nan 0.000 0.538 122 S N 0.355 116.010 115.700 -0.075 0.000 2.558 122 S HA 0.194 4.666 4.470 0.003 0.000 0.217 122 S C 1.459 175.889 174.600 -0.285 0.000 0.975 122 S CA 0.515 58.633 58.200 -0.136 0.000 0.912 122 S CB 0.261 63.404 63.200 -0.094 0.000 0.776 122 S HN 0.558 nan 8.310 nan 0.000 0.526 123 A N 1.062 123.693 122.820 -0.315 0.000 2.783 123 A HA -0.142 4.180 4.320 0.003 0.000 0.292 123 A C 0.532 177.907 177.584 -0.349 0.000 1.495 123 A CA 0.691 52.448 52.037 -0.467 0.000 0.787 123 A CB -2.441 15.998 19.000 -0.934 0.000 1.017 123 A HN 0.917 nan 8.150 nan 0.000 0.516 124 V N -3.369 116.422 119.914 -0.207 0.000 2.834 124 V HA 0.793 4.915 4.120 0.003 0.000 0.313 124 V C 0.676 176.722 176.094 -0.080 0.000 1.060 124 V CA -1.219 61.010 62.300 -0.118 0.000 0.989 124 V CB 1.216 32.980 31.823 -0.099 0.000 1.041 124 V HN 0.515 nan 8.190 nan 0.000 0.459 125 R N 2.724 123.198 120.500 -0.043 0.000 2.590 125 R HA 0.237 4.579 4.340 0.003 0.000 0.274 125 R C -1.760 174.510 176.300 -0.049 0.000 1.061 125 R CA -0.822 55.257 56.100 -0.035 0.000 1.081 125 R CB 0.180 30.469 30.300 -0.019 0.000 0.984 125 R HN 0.562 nan 8.270 nan 0.000 0.448 126 P HA -0.199 nan 4.420 nan 0.000 0.217 126 P C 0.973 178.245 177.300 -0.048 0.000 1.148 126 P CA 1.131 64.203 63.100 -0.047 0.000 0.828 126 P CB -0.078 31.599 31.700 -0.039 0.000 0.783 127 I N -3.977 116.567 120.570 -0.044 0.000 2.530 127 I HA -0.172 4.000 4.170 0.003 0.000 0.257 127 I C 1.967 178.044 176.117 -0.068 0.000 1.179 127 I CA 1.595 62.867 61.300 -0.047 0.000 1.440 127 I CB -1.241 36.736 38.000 -0.039 0.000 1.087 127 I HN -0.092 nan 8.210 nan 0.000 0.440 128 I N -0.074 120.452 120.570 -0.073 0.000 2.286 128 I HA -0.196 3.977 4.170 0.003 0.000 0.245 128 I C 2.293 178.348 176.117 -0.104 0.000 1.104 128 I CA 1.140 62.384 61.300 -0.095 0.000 1.397 128 I CB -0.262 37.688 38.000 -0.083 0.000 1.072 128 I HN 0.260 nan 8.210 nan 0.000 0.417 129 L N 0.559 121.733 121.223 -0.081 0.000 2.056 129 L HA -0.186 4.156 4.340 0.003 0.000 0.207 129 L C 2.428 179.255 176.870 -0.072 0.000 1.078 129 L CA 1.738 56.534 54.840 -0.073 0.000 0.749 129 L CB -0.886 41.138 42.059 -0.059 0.000 0.901 129 L HN 0.205 nan 8.230 nan 0.000 0.433 130 E N -0.600 119.561 120.200 -0.064 0.000 2.058 130 E HA -0.273 4.079 4.350 0.003 0.000 0.194 130 E C 2.324 178.884 176.600 -0.068 0.000 0.997 130 E CA 1.098 57.467 56.400 -0.051 0.000 0.801 130 E CB -0.224 29.453 29.700 -0.039 0.000 0.746 130 E HN 0.180 nan 8.360 nan 0.000 0.450 131 R N 1.319 121.754 120.500 -0.108 0.000 2.096 131 R HA -0.083 4.259 4.340 0.003 0.000 0.235 131 R C 2.139 178.250 176.300 -0.316 0.000 1.127 131 R CA 1.064 57.054 56.100 -0.183 0.000 0.968 131 R CB -0.564 29.600 30.300 -0.227 0.000 0.861 131 R HN 0.181 nan 8.270 nan 0.000 0.440 132 L N -0.589 120.479 121.223 -0.258 0.000 2.027 132 L HA -0.067 4.275 4.340 0.003 0.000 0.206 132 L C 2.364 179.180 176.870 -0.089 0.000 1.074 132 L CA 1.398 56.100 54.840 -0.231 0.000 0.745 132 L CB -0.585 41.387 42.059 -0.144 0.000 0.898 132 L HN 0.292 nan 8.230 nan 0.000 0.433 133 A N -0.962 121.825 122.820 -0.054 0.000 2.019 133 A HA -0.261 4.061 4.320 0.003 0.000 0.219 133 A C 2.230 179.834 177.584 0.033 0.000 1.164 133 A CA 1.600 53.633 52.037 -0.007 0.000 0.644 133 A CB -0.449 18.543 19.000 -0.013 0.000 0.805 133 A HN 0.495 nan 8.150 nan 0.000 0.449 134 Q N -1.654 118.173 119.800 0.045 0.000 2.016 134 Q HA -0.182 4.160 4.340 0.003 0.000 0.200 134 Q C 1.817 177.951 176.000 0.224 0.000 0.978 134 Q CA 1.517 57.390 55.803 0.116 0.000 0.833 134 Q CB -0.247 28.570 28.738 0.131 0.000 0.895 134 Q HN 0.704 nan 8.270 nan 0.000 0.427 135 Y N 0.838 121.137 120.300 -0.002 0.000 2.151 135 Y HA -0.268 4.284 4.550 0.003 0.000 0.284 135 Y C 2.157 178.058 175.900 0.002 0.000 1.166 135 Y CA 0.978 59.079 58.100 0.002 0.000 1.163 135 Y CB -0.722 37.740 38.460 0.003 0.000 0.974 135 Y HN 0.162 nan 8.280 nan 0.000 0.511 136 L N -0.280 121.046 121.223 0.173 0.000 1.994 136 L HA -0.261 4.081 4.340 0.003 0.000 0.208 136 L C 2.033 178.941 176.870 0.062 0.000 1.071 136 L CA 1.508 56.402 54.840 0.090 0.000 0.745 136 L CB -0.513 41.580 42.059 0.056 0.000 0.892 136 L HN 0.212 nan 8.230 nan 0.000 0.431 137 N N -0.226 118.510 118.700 0.060 0.000 2.459 137 N HA -0.127 4.615 4.740 0.003 0.000 0.181 137 N C 1.301 176.833 175.510 0.036 0.000 1.046 137 N CA 0.902 53.976 53.050 0.040 0.000 0.904 137 N CB 0.076 38.584 38.487 0.034 0.000 0.964 137 N HN 0.485 nan 8.380 nan 0.000 0.444 138 E N -0.726 119.502 120.200 0.046 0.000 2.476 138 E HA 0.172 4.524 4.350 0.003 0.000 0.199 138 E C 0.565 177.164 176.600 -0.002 0.000 1.021 138 E CA 0.067 56.480 56.400 0.020 0.000 0.907 138 E CB 0.539 30.252 29.700 0.021 0.000 0.974 138 E HN 0.282 nan 8.360 nan 0.000 0.489 139 G N 2.141 110.945 108.800 0.006 0.000 2.132 139 G HA2 -0.263 3.699 3.960 0.003 0.000 0.234 139 G HA3 -0.263 3.699 3.960 0.003 0.000 0.234 139 G C 0.202 175.081 174.900 -0.035 0.000 0.989 139 G CA -0.170 44.926 45.100 -0.007 0.000 0.676 139 G HN 0.219 nan 8.290 nan 0.000 0.522 140 I N 2.556 123.083 120.570 -0.073 0.000 2.294 140 I HA 0.275 4.447 4.170 0.003 0.000 0.295 140 I C 0.290 176.361 176.117 -0.076 0.000 1.098 140 I CA -0.066 61.128 61.300 -0.177 0.000 1.277 140 I CB 0.822 38.516 38.000 -0.510 0.000 1.434 140 I HN -0.003 nan 8.210 nan 0.000 0.498 141 T N 7.378 121.918 114.554 -0.024 0.000 2.749 141 T HA 0.324 4.676 4.350 0.003 0.000 0.287 141 T C -2.378 172.357 174.700 0.060 0.000 0.970 141 T CA -1.470 60.653 62.100 0.038 0.000 0.980 141 T CB 1.262 70.152 68.868 0.037 0.000 0.924 141 T HN 0.218 nan 8.240 nan 0.000 0.456 142 P HA 0.287 nan 4.420 nan 0.000 0.271 142 P C -0.926 176.451 177.300 0.128 0.000 1.216 142 P CA -0.430 62.750 63.100 0.134 0.000 0.776 142 P CB 0.422 32.222 31.700 0.167 0.000 0.881 143 A N 4.563 127.470 122.820 0.144 0.000 2.415 143 A HA 0.365 4.687 4.320 0.003 0.000 0.309 143 A C -0.005 177.641 177.584 0.103 0.000 1.356 143 A CA -0.296 51.808 52.037 0.111 0.000 0.998 143 A CB -0.938 18.126 19.000 0.106 0.000 1.145 143 A HN 0.459 nan 8.150 nan 0.000 0.545 144 I N 5.203 125.836 120.570 0.105 0.000 2.330 144 I HA 0.307 4.479 4.170 0.003 0.000 0.289 144 I C -2.155 173.947 176.117 -0.024 0.000 1.001 144 I CA -2.294 59.060 61.300 0.091 0.000 1.193 144 I CB 2.037 40.207 38.000 0.284 0.000 1.345 144 I HN 0.420 nan 8.210 nan 0.000 0.461 145 P HA 0.142 nan 4.420 nan 0.000 0.275 145 P C -0.063 177.025 177.300 -0.353 0.000 1.227 145 P CA -0.164 62.743 63.100 -0.321 0.000 0.781 145 P CB 1.190 32.674 31.700 -0.359 0.000 0.906 146 E N 1.384 121.225 120.200 -0.598 0.000 2.274 146 E HA -0.015 4.337 4.350 0.003 0.000 0.194 146 E C 0.517 176.968 176.600 -0.248 0.000 0.996 146 E CA 0.734 56.681 56.400 -0.756 0.000 0.840 146 E CB 0.005 29.181 29.700 -0.874 0.000 0.772 146 E HN 0.493 nan 8.360 nan 0.000 0.491 147 I N -0.597 119.869 120.570 -0.172 0.000 2.441 147 I HA 0.332 4.504 4.170 0.003 0.000 0.295 147 I C 0.847 176.942 176.117 -0.035 0.000 0.994 147 I CA -0.162 61.093 61.300 -0.076 0.000 1.144 147 I CB 2.022 39.977 38.000 -0.074 0.000 1.314 147 I HN 0.093 nan 8.210 nan 0.000 0.445 148 G N 3.270 112.070 108.800 -0.001 0.000 3.382 148 G HA2 -0.180 3.782 3.960 0.003 0.000 0.214 148 G HA3 -0.180 3.782 3.960 0.003 0.000 0.214 148 G C 0.266 175.184 174.900 0.029 0.000 1.025 148 G CA -0.024 45.087 45.100 0.017 0.000 0.869 148 G HN 0.573 nan 8.290 nan 0.000 0.458 149 S N 0.594 116.318 115.700 0.040 0.000 2.549 149 S HA 0.539 5.011 4.470 0.003 0.000 0.279 149 S C 1.178 175.788 174.600 0.016 0.000 1.321 149 S CA -0.307 57.915 58.200 0.036 0.000 1.054 149 S CB 0.661 63.893 63.200 0.055 0.000 0.899 149 S HN 0.357 nan 8.310 nan 0.000 0.497 150 L N 4.558 125.779 121.223 -0.002 0.000 2.728 150 L HA 0.344 4.686 4.340 0.003 0.000 0.238 150 L C 1.393 178.236 176.870 -0.046 0.000 1.143 150 L CA 0.074 54.904 54.840 -0.017 0.000 0.937 150 L CB -0.927 41.119 42.059 -0.022 0.000 1.225 150 L HN 1.057 nan 8.230 nan 0.000 0.507 156 L N 0.696 121.928 121.223 0.014 0.000 1.956 156 L HA -0.234 4.108 4.340 0.003 0.000 0.216 156 L C 2.703 179.619 176.870 0.077 0.000 1.073 156 L CA 2.363 57.216 54.840 0.023 0.000 0.762 156 L CB -0.434 41.653 42.059 0.046 0.000 0.889 156 L HN 0.230 nan 8.230 nan 0.000 0.433 157 A N 0.030 122.918 122.820 0.113 0.000 1.865 157 A HA -0.143 4.179 4.320 0.003 0.000 0.217 157 A C 0.043 177.777 177.584 0.251 0.000 1.191 157 A CA 2.041 54.183 52.037 0.175 0.000 0.623 157 A CB -1.933 17.155 19.000 0.147 0.000 0.826 157 A HN 0.314 nan 8.150 nan 0.000 0.444 158 P HA -0.128 nan 4.420 nan 0.000 0.215 158 P C 1.327 178.733 177.300 0.177 0.000 1.153 158 P CA 0.940 64.149 63.100 0.183 0.000 0.853 158 P CB -0.137 31.673 31.700 0.184 0.000 0.788 159 L N -1.588 119.705 121.223 0.116 0.000 2.313 159 L HA -0.033 4.309 4.340 0.003 0.000 0.214 159 L C 2.195 179.106 176.870 0.068 0.000 1.119 159 L CA 0.963 55.847 54.840 0.072 0.000 0.809 159 L CB -0.703 41.372 42.059 0.027 0.000 0.933 159 L HN -0.028 nan 8.230 nan 0.000 0.449 160 S N -1.239 114.515 115.700 0.090 0.000 2.428 160 S HA -0.132 4.340 4.470 0.003 0.000 0.230 160 S C 1.728 176.333 174.600 0.008 0.000 1.014 160 S CA 0.803 59.019 58.200 0.027 0.000 0.957 160 S CB -0.165 63.050 63.200 0.025 0.000 0.784 160 S HN 0.490 nan 8.310 nan 0.000 0.499 161 H N -0.028 119.076 119.070 0.056 0.000 2.470 161 H HA 0.140 4.698 4.556 0.003 0.000 0.289 161 H C 1.964 177.338 175.328 0.077 0.000 1.033 161 H CA 0.934 57.028 56.048 0.077 0.000 1.331 161 H CB -0.043 29.779 29.762 0.100 0.000 1.414 161 H HN 0.126 nan 8.280 nan 0.000 0.545 162 V N 0.369 120.387 119.914 0.174 0.000 2.255 162 V HA -0.207 3.915 4.120 0.003 0.000 0.243 162 V C 2.537 178.673 176.094 0.070 0.000 1.038 162 V CA 1.616 63.989 62.300 0.122 0.000 1.008 162 V CB -0.959 30.914 31.823 0.083 0.000 0.645 162 V HN 0.555 nan 8.190 nan 0.000 0.449 163 A N -0.485 122.350 122.820 0.024 0.000 2.032 163 A HA -0.251 4.071 4.320 0.003 0.000 0.221 163 A C 2.442 180.017 177.584 -0.014 0.000 1.165 163 A CA 2.350 54.377 52.037 -0.018 0.000 0.645 163 A CB -0.657 18.316 19.000 -0.045 0.000 0.807 163 A HN 0.522 nan 8.150 nan 0.000 0.453 164 S N -0.421 115.278 115.700 -0.003 0.000 2.345 164 S HA -0.161 4.311 4.470 0.003 0.000 0.220 164 S C 2.315 176.931 174.600 0.026 0.000 1.031 164 S CA 1.998 60.189 58.200 -0.016 0.000 0.996 164 S CB -0.765 62.407 63.200 -0.046 0.000 0.882 164 S HN 0.928 nan 8.310 nan 0.000 0.445 165 T N 1.458 116.066 114.554 0.090 0.000 2.778 165 T HA -0.045 4.307 4.350 0.003 0.000 0.269 165 T C 1.671 176.510 174.700 0.232 0.000 1.050 165 T CA 1.037 63.237 62.100 0.166 0.000 1.137 165 T CB -0.698 68.328 68.868 0.263 0.000 0.860 165 T HN 0.274 nan 8.240 nan 0.000 0.468 166 L N 0.830 122.125 121.223 0.121 0.000 2.141 166 L HA 0.195 4.537 4.340 0.003 0.000 0.209 166 L C 2.339 179.223 176.870 0.024 0.000 1.094 166 L CA 1.182 56.028 54.840 0.011 0.000 0.763 166 L CB -0.473 41.513 42.059 -0.122 0.000 0.908 166 L HN 0.498 nan 8.230 nan 0.000 0.437 167 I N -3.316 117.261 120.570 0.010 0.000 3.858 167 I HA 0.378 4.550 4.170 0.003 0.000 0.325 167 I C 1.144 177.260 176.117 -0.003 0.000 1.403 167 I CA 0.308 61.603 61.300 -0.008 0.000 1.169 167 I CB -0.342 37.639 38.000 -0.031 0.000 1.077 167 I HN 0.190 nan 8.210 nan 0.000 0.403 168 G N 1.083 109.898 108.800 0.025 0.000 2.166 168 G HA2 -0.268 3.694 3.960 0.003 0.000 0.260 168 G HA3 -0.268 3.694 3.960 0.003 0.000 0.260 168 G C -0.061 174.815 174.900 -0.039 0.000 0.986 168 G CA 0.620 45.722 45.100 0.004 0.000 0.683 168 G HN 0.684 nan 8.290 nan 0.000 0.527 169 E N -1.042 119.129 120.200 -0.047 0.000 2.303 169 E HA 0.649 5.001 4.350 0.003 0.000 0.254 169 E C 1.049 177.577 176.600 -0.120 0.000 0.979 169 E CA -0.616 55.724 56.400 -0.101 0.000 0.843 169 E CB 1.315 30.960 29.700 -0.091 0.000 1.245 169 E HN 1.291 nan 8.360 nan 0.000 0.413 170 G N -0.375 108.302 108.800 -0.205 0.000 2.528 170 G HA2 -0.272 3.690 3.960 0.003 0.000 0.262 170 G HA3 -0.272 3.690 3.960 0.003 0.000 0.262 170 G C -1.121 173.560 174.900 -0.365 0.000 1.200 170 G CA 0.045 45.043 45.100 -0.170 0.000 0.951 170 G HN 0.437 nan 8.290 nan 0.000 0.566 171 Y N -1.427 118.917 120.300 0.073 0.000 2.588 171 Y HA 0.599 5.151 4.550 0.003 0.000 0.343 171 Y C 0.556 176.488 175.900 0.054 0.000 1.065 171 Y CA -0.387 57.746 58.100 0.056 0.000 1.038 171 Y CB 2.154 40.649 38.460 0.059 0.000 1.297 171 Y HN 1.086 nan 8.280 nan 0.000 0.467 172 V N 0.262 120.296 119.914 0.199 0.000 3.019 172 V HA 0.689 4.811 4.120 0.003 0.000 0.317 172 V C -1.354 174.794 176.094 0.090 0.000 1.094 172 V CA -1.112 61.249 62.300 0.103 0.000 1.000 172 V CB 1.966 33.797 31.823 0.013 0.000 1.060 172 V HN 0.634 nan 8.190 nan 0.000 0.443 173 L N 3.519 124.776 121.223 0.058 0.000 2.282 173 L HA 0.551 4.893 4.340 0.003 0.000 0.287 173 L C 0.205 177.088 176.870 0.021 0.000 1.075 173 L CA 0.141 55.005 54.840 0.040 0.000 0.839 173 L CB 0.118 42.203 42.059 0.044 0.000 1.219 173 L HN 0.888 nan 8.230 nan 0.000 0.434 174 R N 4.454 124.965 120.500 0.018 0.000 2.288 174 R HA 0.234 4.576 4.340 0.003 0.000 0.326 174 R C -0.577 175.726 176.300 0.005 0.000 0.959 174 R CA -0.374 55.731 56.100 0.008 0.000 0.834 174 R CB 0.520 30.825 30.300 0.008 0.000 1.157 174 R HN 0.698 nan 8.270 nan 0.000 0.470 175 D N 3.696 124.098 120.400 0.003 0.000 2.737 175 D HA -0.216 4.426 4.640 0.003 0.000 0.233 175 D C 0.699 176.999 176.300 -0.000 0.000 1.155 175 D CA 1.716 55.717 54.000 0.001 0.000 0.667 175 D CB -0.853 39.947 40.800 -0.001 0.000 1.060 175 D HN 1.079 nan 8.370 nan 0.000 0.427 176 G N -0.756 108.045 108.800 0.001 0.000 2.213 176 G HA2 -0.307 3.655 3.960 0.003 0.000 0.226 176 G HA3 -0.307 3.655 3.960 0.003 0.000 0.226 176 G C 0.363 175.256 174.900 -0.012 0.000 0.992 176 G CA 0.292 45.390 45.100 -0.003 0.000 0.632 176 G HN 0.529 nan 8.290 nan 0.000 0.511 177 R N 0.659 121.153 120.500 -0.011 0.000 2.892 177 R HA 0.627 4.969 4.340 0.003 0.000 0.265 177 R C -2.879 173.411 176.300 -0.017 0.000 1.025 177 R CA -1.893 54.192 56.100 -0.025 0.000 0.982 177 R CB 2.337 32.623 30.300 -0.024 0.000 1.185 177 R HN 0.117 nan 8.270 nan 0.000 0.484 178 P HA 0.153 nan 4.420 nan 0.000 0.297 178 P C -0.910 176.432 177.300 0.070 0.000 1.319 178 P CA -0.486 62.599 63.100 -0.025 0.000 0.810 178 P CB 1.555 33.129 31.700 -0.211 0.000 0.947 179 V N 0.074 120.100 119.914 0.186 0.000 2.604 179 V HA 0.460 4.582 4.120 0.003 0.000 0.305 179 V C 0.117 176.371 176.094 0.266 0.000 1.043 179 V CA -1.264 61.167 62.300 0.218 0.000 0.888 179 V CB 1.538 33.417 31.823 0.093 0.000 0.995 179 V HN 0.391 nan 8.190 nan 0.000 0.429 180 E N 2.462 122.785 120.200 0.206 0.000 2.765 180 E HA -0.055 4.297 4.350 0.003 0.000 0.256 180 E C 0.978 177.537 176.600 -0.068 0.000 0.935 180 E CA 0.827 57.171 56.400 -0.092 0.000 0.954 180 E CB 0.739 30.370 29.700 -0.115 0.000 0.908 180 E HN 0.877 nan 8.360 nan 0.000 0.500 181 T N 3.133 117.618 114.554 -0.116 0.000 2.720 181 T HA -0.269 4.083 4.350 0.003 0.000 0.268 181 T C 1.786 176.449 174.700 -0.061 0.000 1.037 181 T CA 1.332 63.393 62.100 -0.065 0.000 1.144 181 T CB -0.092 68.747 68.868 -0.048 0.000 0.864 181 T HN 0.646 nan 8.240 nan 0.000 0.444 182 A N 1.574 124.349 122.820 -0.076 0.000 1.870 182 A HA -0.312 4.010 4.320 0.003 0.000 0.219 182 A C 2.261 179.821 177.584 -0.040 0.000 1.224 182 A CA 2.267 54.271 52.037 -0.055 0.000 0.650 182 A CB -0.994 17.968 19.000 -0.063 0.000 0.836 182 A HN 0.586 nan 8.150 nan 0.000 0.454 183 Q N -0.822 118.956 119.800 -0.037 0.000 2.014 183 Q HA -0.168 4.174 4.340 0.003 0.000 0.207 183 Q C 2.215 178.197 176.000 -0.029 0.000 0.993 183 Q CA 2.055 57.843 55.803 -0.025 0.000 0.850 183 Q CB -0.543 28.187 28.738 -0.013 0.000 0.916 183 Q HN 0.502 nan 8.270 nan 0.000 0.417 184 V N 1.393 121.286 119.914 -0.035 0.000 2.317 184 V HA -0.307 3.815 4.120 0.003 0.000 0.251 184 V C 2.274 178.329 176.094 -0.065 0.000 1.065 184 V CA 1.757 64.027 62.300 -0.051 0.000 1.049 184 V CB -0.705 31.078 31.823 -0.065 0.000 0.651 184 V HN 0.350 nan 8.190 nan 0.000 0.450 185 L N -0.088 121.098 121.223 -0.062 0.000 1.994 185 L HA -0.149 4.193 4.340 0.003 0.000 0.208 185 L C 2.772 179.625 176.870 -0.029 0.000 1.071 185 L CA 1.780 56.590 54.840 -0.050 0.000 0.745 185 L CB -0.912 41.134 42.059 -0.022 0.000 0.892 185 L HN 0.374 nan 8.230 nan 0.000 0.431 186 A N -0.450 122.356 122.820 -0.023 0.000 1.972 186 A HA -0.248 4.074 4.320 0.003 0.000 0.219 186 A C 2.136 179.710 177.584 -0.018 0.000 1.169 186 A CA 1.631 53.658 52.037 -0.016 0.000 0.635 186 A CB -0.516 18.474 19.000 -0.016 0.000 0.810 186 A HN 0.492 nan 8.150 nan 0.000 0.446 187 E N -0.662 119.525 120.200 -0.023 0.000 2.511 187 E HA -0.037 4.315 4.350 0.003 0.000 0.196 187 E C 1.246 177.831 176.600 -0.024 0.000 1.066 187 E CA 0.202 56.590 56.400 -0.022 0.000 0.871 187 E CB 0.016 29.702 29.700 -0.023 0.000 0.863 187 E HN 0.560 nan 8.360 nan 0.000 0.520 188 R N -1.375 119.109 120.500 -0.027 0.000 2.531 188 R HA 0.161 4.503 4.340 0.003 0.000 0.316 188 R C 0.522 176.814 176.300 -0.013 0.000 0.955 188 R CA 0.455 56.540 56.100 -0.026 0.000 1.120 188 R CB 1.380 31.653 30.300 -0.045 0.000 1.361 188 R HN 0.129 nan 8.270 nan 0.000 0.534 189 G N 2.482 111.277 108.800 -0.009 0.000 2.289 189 G HA2 -0.241 3.721 3.960 0.003 0.000 0.280 189 G HA3 -0.241 3.721 3.960 0.003 0.000 0.280 189 G C -0.136 174.768 174.900 0.008 0.000 1.089 189 G CA -0.044 45.055 45.100 -0.001 0.000 0.939 189 G HN 0.226 nan 8.290 nan 0.000 0.499 190 I N -0.100 120.476 120.570 0.011 0.000 2.466 190 I HA 0.367 4.539 4.170 0.003 0.000 0.289 190 I C -0.521 175.614 176.117 0.031 0.000 1.026 190 I CA -1.096 60.224 61.300 0.032 0.000 1.078 190 I CB 1.859 39.893 38.000 0.057 0.000 1.249 190 I HN 0.054 nan 8.210 nan 0.000 0.429 191 E N 7.609 127.826 120.200 0.030 0.000 2.194 191 E HA 0.297 4.649 4.350 0.003 0.000 0.284 191 E C -2.286 174.332 176.600 0.030 0.000 1.035 191 E CA -1.756 54.656 56.400 0.020 0.000 0.836 191 E CB 0.012 29.718 29.700 0.009 0.000 1.070 191 E HN 0.280 nan 8.360 nan 0.000 0.401 192 P HA -0.032 nan 4.420 nan 0.000 0.268 192 P C -0.379 176.926 177.300 0.008 0.000 1.208 192 P CA -0.008 63.111 63.100 0.032 0.000 0.777 192 P CB 0.809 32.520 31.700 0.018 0.000 0.875 193 L N 0.981 122.203 121.223 -0.002 0.000 2.468 193 L HA 0.320 4.662 4.340 0.003 0.000 0.254 193 L C 1.055 177.906 176.870 -0.032 0.000 1.171 193 L CA -0.353 54.472 54.840 -0.024 0.000 0.809 193 L CB 0.298 42.330 42.059 -0.044 0.000 1.155 193 L HN 0.455 nan 8.230 nan 0.000 0.473 194 E N 1.231 121.407 120.200 -0.040 0.000 2.191 194 E HA 0.342 4.694 4.350 0.003 0.000 0.263 194 E C -1.295 175.270 176.600 -0.058 0.000 0.881 194 E CA -0.684 55.687 56.400 -0.048 0.000 0.757 194 E CB 1.359 31.029 29.700 -0.050 0.000 1.147 194 E HN 0.417 nan 8.360 nan 0.000 0.414 195 L N 5.112 126.298 121.223 -0.062 0.000 2.433 195 L HA 0.255 4.597 4.340 0.003 0.000 0.275 195 L C 1.044 177.863 176.870 -0.086 0.000 1.128 195 L CA 0.134 54.935 54.840 -0.063 0.000 0.875 195 L CB 0.205 42.229 42.059 -0.058 0.000 1.171 195 L HN 0.490 nan 8.230 nan 0.000 0.463 196 R N 2.017 122.471 120.500 -0.076 0.000 2.523 196 R HA 0.392 4.734 4.340 0.003 0.000 0.223 196 R C -0.480 175.783 176.300 -0.062 0.000 1.280 196 R CA -0.935 55.087 56.100 -0.130 0.000 1.047 196 R CB 0.327 30.578 30.300 -0.082 0.000 1.650 196 R HN 0.170 nan 8.270 nan 0.000 0.545 197 F N 2.273 122.265 119.950 0.070 0.000 2.593 197 F HA -0.089 4.440 4.527 0.003 0.000 0.393 197 F C 1.402 177.306 175.800 0.173 0.000 1.037 197 F CA 0.842 58.921 58.000 0.132 0.000 1.195 197 F CB -0.010 39.097 39.000 0.179 0.000 1.034 197 F HN 0.508 nan 8.300 nan 0.000 0.552 198 K N 1.250 121.844 120.400 0.322 0.000 3.130 198 K HA -0.291 4.031 4.320 0.003 0.000 0.282 198 K C 0.814 177.444 176.600 0.050 0.000 1.145 198 K CA 1.589 57.976 56.287 0.168 0.000 0.831 198 K CB -0.752 31.819 32.500 0.118 0.000 1.226 198 K HN 0.858 nan 8.250 nan 0.000 0.478 199 E N -1.465 118.761 120.200 0.044 0.000 2.190 199 E HA -0.018 4.334 4.350 0.003 0.000 0.191 199 E C 1.968 178.547 176.600 -0.034 0.000 0.978 199 E CA 0.734 57.127 56.400 -0.011 0.000 0.839 199 E CB 0.044 29.734 29.700 -0.017 0.000 0.787 199 E HN 0.543 nan 8.360 nan 0.000 0.473 200 G N 1.724 110.505 108.800 -0.031 0.000 2.394 200 G HA2 -0.214 3.748 3.960 0.003 0.000 0.214 200 G HA3 -0.214 3.748 3.960 0.003 0.000 0.214 200 G C 1.567 176.406 174.900 -0.101 0.000 1.176 200 G CA 0.281 45.336 45.100 -0.074 0.000 0.786 200 G HN 0.116 nan 8.290 nan 0.000 0.533 201 L N 1.581 122.764 121.223 -0.067 0.000 2.042 201 L HA 0.113 4.455 4.340 0.003 0.000 0.210 201 L C 3.013 179.860 176.870 -0.039 0.000 1.076 201 L CA 2.212 57.013 54.840 -0.065 0.000 0.749 201 L CB -0.795 41.297 42.059 0.054 0.000 0.893 201 L HN 0.234 nan 8.230 nan 0.000 0.432 202 A N -0.820 121.983 122.820 -0.029 0.000 1.933 202 A HA -0.152 4.170 4.320 0.003 0.000 0.218 202 A C 2.281 179.844 177.584 -0.034 0.000 1.175 202 A CA 1.851 53.870 52.037 -0.029 0.000 0.628 202 A CB -0.823 18.143 19.000 -0.056 0.000 0.814 202 A HN 0.509 nan 8.150 nan 0.000 0.444 203 L N -0.481 120.713 121.223 -0.050 0.000 2.141 203 L HA -0.074 4.268 4.340 0.003 0.000 0.209 203 L C 2.310 179.155 176.870 -0.041 0.000 1.094 203 L CA 1.455 56.265 54.840 -0.049 0.000 0.763 203 L CB -0.248 41.776 42.059 -0.059 0.000 0.908 203 L HN 0.704 nan 8.230 nan 0.000 0.437 204 I N -5.129 115.406 120.570 -0.058 0.000 4.070 204 I HA 0.155 4.327 4.170 0.003 0.000 0.328 204 I C 0.679 176.767 176.117 -0.048 0.000 1.298 204 I CA -0.000 61.265 61.300 -0.057 0.000 1.173 204 I CB 0.089 38.026 38.000 -0.106 0.000 1.051 204 I HN 0.003 nan 8.210 nan 0.000 0.409 205 N N 2.482 121.164 118.700 -0.029 0.000 3.188 205 N HA 0.520 5.263 4.740 0.003 0.000 0.279 205 N C -0.264 175.300 175.510 0.091 0.000 1.213 205 N CA 0.289 53.345 53.050 0.010 0.000 1.138 205 N CB 0.421 38.935 38.487 0.045 0.000 1.417 205 N HN 0.666 nan 8.380 nan 0.000 0.526 206 G N -1.094 107.752 108.800 0.076 0.000 2.489 206 G HA2 0.198 4.160 3.960 0.003 0.000 0.305 206 G HA3 0.198 4.160 3.960 0.003 0.000 0.305 206 G C -0.311 174.630 174.900 0.069 0.000 1.311 206 G CA -0.402 44.760 45.100 0.103 0.000 0.813 206 G HN 0.160 nan 8.290 nan 0.000 0.480 207 T N -1.932 112.655 114.554 0.055 0.000 3.258 207 T HA 0.344 4.696 4.350 0.003 0.000 0.263 207 T C 1.503 176.206 174.700 0.005 0.000 0.983 207 T CA 0.810 62.927 62.100 0.028 0.000 0.907 207 T CB 0.369 69.252 68.868 0.025 0.000 1.096 207 T HN 0.269 nan 8.240 nan 0.000 0.556 208 S N 1.076 116.776 115.700 0.001 0.000 2.423 208 S HA 0.049 4.521 4.470 0.003 0.000 0.231 208 S C 2.301 176.872 174.600 -0.049 0.000 1.014 208 S CA 1.130 59.318 58.200 -0.020 0.000 0.965 208 S CB -0.624 62.566 63.200 -0.017 0.000 0.785 208 S HN 0.781 nan 8.310 nan 0.000 0.495 209 G N 2.740 111.513 108.800 -0.044 0.000 2.414 209 G HA2 -0.222 3.740 3.960 0.003 0.000 0.215 209 G HA3 -0.222 3.740 3.960 0.003 0.000 0.215 209 G C 1.487 176.328 174.900 -0.099 0.000 1.188 209 G CA 1.103 46.149 45.100 -0.091 0.000 0.783 209 G HN 0.620 nan 8.290 nan 0.000 0.537 210 M N -0.433 119.145 119.600 -0.037 0.000 2.175 210 M HA 0.087 4.569 4.480 0.003 0.000 0.264 210 M C 2.231 178.513 176.300 -0.030 0.000 1.063 210 M CA 2.031 57.318 55.300 -0.023 0.000 1.119 210 M CB -0.853 31.745 32.600 -0.004 0.000 1.377 210 M HN -0.014 nan 8.290 nan 0.000 0.415 211 T N 1.000 115.537 114.554 -0.030 0.000 2.904 211 T HA 0.061 4.413 4.350 0.003 0.000 0.267 211 T C 1.909 176.587 174.700 -0.035 0.000 1.059 211 T CA 1.406 63.492 62.100 -0.024 0.000 1.137 211 T CB -0.510 68.348 68.868 -0.016 0.000 0.879 211 T HN 0.706 nan 8.240 nan 0.000 0.467 212 G N 1.420 110.183 108.800 -0.063 0.000 2.424 212 G HA2 -0.085 3.877 3.960 0.003 0.000 0.214 212 G HA3 -0.085 3.877 3.960 0.003 0.000 0.214 212 G C 1.487 176.333 174.900 -0.090 0.000 1.202 212 G CA 0.513 45.566 45.100 -0.080 0.000 0.793 212 G HN 0.395 nan 8.290 nan 0.000 0.534 213 L N 1.608 122.749 121.223 -0.136 0.000 2.046 213 L HA 0.116 4.458 4.340 0.003 0.000 0.208 213 L C 2.846 179.694 176.870 -0.036 0.000 1.077 213 L CA 2.377 57.148 54.840 -0.116 0.000 0.747 213 L CB -0.927 41.042 42.059 -0.150 0.000 0.896 213 L HN 0.197 nan 8.230 nan 0.000 0.432 214 G N -1.604 107.183 108.800 -0.022 0.000 2.469 214 G HA2 -0.297 3.665 3.960 0.003 0.000 0.219 214 G HA3 -0.297 3.665 3.960 0.003 0.000 0.219 214 G C 1.599 176.509 174.900 0.016 0.000 1.150 214 G CA 1.012 46.116 45.100 0.008 0.000 0.763 214 G HN 0.489 nan 8.290 nan 0.000 0.561 215 S N 0.455 116.157 115.700 0.004 0.000 2.353 215 S HA -0.051 4.421 4.470 0.003 0.000 0.222 215 S C 2.328 176.939 174.600 0.019 0.000 1.035 215 S CA 1.098 59.306 58.200 0.014 0.000 1.025 215 S CB -0.318 62.883 63.200 0.002 0.000 0.902 215 S HN 0.340 nan 8.310 nan 0.000 0.440 216 L N 1.034 122.261 121.223 0.006 0.000 2.042 216 L HA -0.109 4.233 4.340 0.003 0.000 0.210 216 L C 2.377 179.265 176.870 0.030 0.000 1.076 216 L CA 0.982 55.830 54.840 0.014 0.000 0.749 216 L CB -0.839 41.221 42.059 0.002 0.000 0.893 216 L HN 0.208 nan 8.230 nan 0.000 0.432 217 V N -0.739 119.194 119.914 0.033 0.000 2.307 217 V HA -0.230 3.892 4.120 0.003 0.000 0.245 217 V C 2.421 178.549 176.094 0.056 0.000 1.045 217 V CA 1.460 63.788 62.300 0.046 0.000 1.024 217 V CB -0.193 31.659 31.823 0.049 0.000 0.651 217 V HN 0.178 nan 8.190 nan 0.000 0.449 218 V N 0.845 120.794 119.914 0.059 0.000 2.295 218 V HA -0.169 3.953 4.120 0.003 0.000 0.246 218 V C 2.651 178.790 176.094 0.076 0.000 1.049 218 V CA 2.173 64.519 62.300 0.075 0.000 1.024 218 V CB -1.376 30.499 31.823 0.086 0.000 0.648 218 V HN 0.614 nan 8.190 nan 0.000 0.447 219 G N -0.117 108.722 108.800 0.065 0.000 2.476 219 G HA2 -0.278 3.684 3.960 0.003 0.000 0.218 219 G HA3 -0.278 3.684 3.960 0.003 0.000 0.218 219 G C 1.744 176.681 174.900 0.062 0.000 1.164 219 G CA 0.910 46.047 45.100 0.063 0.000 0.768 219 G HN 0.453 nan 8.290 nan 0.000 0.560 220 R N 0.406 120.940 120.500 0.055 0.000 2.115 220 R HA 0.168 4.510 4.340 0.003 0.000 0.226 220 R C 2.998 179.335 176.300 0.062 0.000 1.100 220 R CA 0.836 56.969 56.100 0.055 0.000 0.980 220 R CB -0.277 30.052 30.300 0.049 0.000 0.875 220 R HN 0.351 nan 8.270 nan 0.000 0.445 221 A N 1.311 124.170 122.820 0.064 0.000 1.902 221 A HA -0.140 4.182 4.320 0.003 0.000 0.217 221 A C 2.123 179.746 177.584 0.065 0.000 1.181 221 A CA 1.145 53.220 52.037 0.063 0.000 0.623 221 A CB -0.503 18.536 19.000 0.064 0.000 0.818 221 A HN 0.187 nan 8.150 nan 0.000 0.443 222 L N -0.598 120.671 121.223 0.077 0.000 2.046 222 L HA -0.208 4.134 4.340 0.003 0.000 0.208 222 L C 2.580 179.500 176.870 0.084 0.000 1.077 222 L CA 1.640 56.533 54.840 0.089 0.000 0.747 222 L CB -0.494 41.637 42.059 0.121 0.000 0.896 222 L HN 0.496 nan 8.230 nan 0.000 0.432 223 E N -0.615 119.632 120.200 0.079 0.000 2.208 223 E HA -0.269 4.083 4.350 0.003 0.000 0.193 223 E C 2.043 178.695 176.600 0.087 0.000 0.988 223 E CA 0.747 57.196 56.400 0.080 0.000 0.828 223 E CB -0.025 29.718 29.700 0.072 0.000 0.763 223 E HN 0.514 nan 8.360 nan 0.000 0.478 224 Q N 0.777 120.625 119.800 0.080 0.000 2.119 224 Q HA -0.117 4.225 4.340 0.003 0.000 0.201 224 Q C 2.102 178.149 176.000 0.079 0.000 0.972 224 Q CA 1.216 57.068 55.803 0.083 0.000 0.847 224 Q CB -0.037 28.744 28.738 0.072 0.000 0.903 224 Q HN 0.229 nan 8.270 nan 0.000 0.433 225 A N 0.550 123.408 122.820 0.063 0.000 1.898 225 A HA -0.220 4.102 4.320 0.003 0.000 0.216 225 A C 1.935 179.552 177.584 0.055 0.000 1.181 225 A CA 1.505 53.570 52.037 0.047 0.000 0.620 225 A CB -0.481 18.535 19.000 0.027 0.000 0.819 225 A HN 0.515 nan 8.150 nan 0.000 0.442 226 Q N -0.679 119.164 119.800 0.071 0.000 2.119 226 Q HA -0.191 4.151 4.340 0.003 0.000 0.201 226 Q C 2.195 178.252 176.000 0.093 0.000 0.972 226 Q CA 1.562 57.410 55.803 0.075 0.000 0.847 226 Q CB -0.171 28.616 28.738 0.083 0.000 0.903 226 Q HN 0.754 nan 8.270 nan 0.000 0.433 227 Q N -0.324 119.552 119.800 0.126 0.000 2.245 227 Q HA -0.013 4.329 4.340 0.003 0.000 0.201 227 Q C 1.984 178.084 176.000 0.167 0.000 0.955 227 Q CA 0.829 56.750 55.803 0.197 0.000 0.870 227 Q CB 0.042 28.912 28.738 0.221 0.000 0.945 227 Q HN 0.326 nan 8.270 nan 0.000 0.461 228 A N 1.427 124.305 122.820 0.098 0.000 1.898 228 A HA -0.199 4.123 4.320 0.003 0.000 0.216 228 A C 1.794 179.370 177.584 -0.013 0.000 1.181 228 A CA 1.239 53.302 52.037 0.043 0.000 0.620 228 A CB -0.250 18.773 19.000 0.039 0.000 0.819 228 A HN 0.286 nan 8.150 nan 0.000 0.442 229 E N -0.138 120.064 120.200 0.003 0.000 2.077 229 E HA -0.151 4.201 4.350 0.003 0.000 0.193 229 E C 1.858 178.421 176.600 -0.061 0.000 0.989 229 E CA 1.239 57.621 56.400 -0.029 0.000 0.800 229 E CB -0.315 29.378 29.700 -0.011 0.000 0.746 229 E HN 0.691 nan 8.360 nan 0.000 0.452 230 I N 0.471 121.029 120.570 -0.020 0.000 2.099 230 I HA -0.284 3.888 4.170 0.003 0.000 0.239 230 I C 2.572 178.589 176.117 -0.166 0.000 1.066 230 I CA 0.992 62.276 61.300 -0.028 0.000 1.324 230 I CB -0.416 37.647 38.000 0.106 0.000 1.037 230 I HN 0.055 nan 8.210 nan 0.000 0.401 231 V N 0.407 120.103 119.914 -0.362 0.000 2.343 231 V HA -0.285 3.837 4.120 0.003 0.000 0.247 231 V C 2.455 178.346 176.094 -0.340 0.000 1.051 231 V CA 2.719 64.635 62.300 -0.640 0.000 1.036 231 V CB -0.452 30.625 31.823 -1.244 0.000 0.654 231 V HN 0.498 nan 8.190 nan 0.000 0.451 232 T N 0.583 115.002 114.554 -0.224 0.000 2.759 232 T HA -0.183 4.169 4.350 0.003 0.000 0.269 232 T C 1.952 176.568 174.700 -0.140 0.000 1.042 232 T CA 1.733 63.751 62.100 -0.138 0.000 1.140 232 T CB -0.518 68.304 68.868 -0.076 0.000 0.864 232 T HN 0.701 nan 8.240 nan 0.000 0.455 233 A N 1.255 123.976 122.820 -0.164 0.000 1.873 233 A HA 0.022 4.344 4.320 0.003 0.000 0.215 233 A C 2.233 179.732 177.584 -0.142 0.000 1.186 233 A CA 1.311 53.243 52.037 -0.176 0.000 0.616 233 A CB -0.759 18.141 19.000 -0.166 0.000 0.823 233 A HN 0.434 nan 8.150 nan 0.000 0.442 234 L N -0.403 120.736 121.223 -0.140 0.000 2.046 234 L HA -0.099 4.243 4.340 0.003 0.000 0.208 234 L C 2.239 179.047 176.870 -0.103 0.000 1.077 234 L CA 2.022 56.796 54.840 -0.109 0.000 0.747 234 L CB -0.612 41.378 42.059 -0.115 0.000 0.896 234 L HN 0.412 nan 8.230 nan 0.000 0.432 235 L N -0.893 120.254 121.223 -0.126 0.000 2.046 235 L HA -0.218 4.124 4.340 0.003 0.000 0.208 235 L C 2.470 179.303 176.870 -0.062 0.000 1.077 235 L CA 1.631 56.413 54.840 -0.095 0.000 0.747 235 L CB -0.221 41.775 42.059 -0.105 0.000 0.896 235 L HN 0.312 nan 8.230 nan 0.000 0.432 236 I N -0.523 120.010 120.570 -0.063 0.000 2.361 236 I HA -0.285 3.887 4.170 0.003 0.000 0.251 236 I C 2.273 178.359 176.117 -0.053 0.000 1.133 236 I CA 1.259 62.536 61.300 -0.039 0.000 1.413 236 I CB -0.273 37.707 38.000 -0.033 0.000 1.073 236 I HN 0.374 nan 8.210 nan 0.000 0.424 237 E N 0.835 120.992 120.200 -0.071 0.000 2.076 237 E HA -0.110 4.242 4.350 0.003 0.000 0.190 237 E C 2.360 178.922 176.600 -0.063 0.000 0.979 237 E CA 1.031 57.388 56.400 -0.070 0.000 0.807 237 E CB -0.091 29.559 29.700 -0.083 0.000 0.761 237 E HN 0.466 nan 8.360 nan 0.000 0.454 238 A N 0.834 123.619 122.820 -0.059 0.000 2.015 238 A HA -0.085 4.237 4.320 0.003 0.000 0.219 238 A C 2.173 179.738 177.584 -0.032 0.000 1.163 238 A CA 0.849 52.857 52.037 -0.048 0.000 0.646 238 A CB -0.088 18.884 19.000 -0.047 0.000 0.806 238 A HN 0.186 nan 8.150 nan 0.000 0.448 239 V N -0.531 119.366 119.914 -0.027 0.000 3.621 239 V HA 0.110 4.232 4.120 0.003 0.000 0.285 239 V C 0.173 176.227 176.094 -0.067 0.000 1.346 239 V CA 0.055 62.352 62.300 -0.005 0.000 1.104 239 V CB -0.934 30.923 31.823 0.056 0.000 0.913 239 V HN 0.604 nan 8.190 nan 0.000 0.432 240 R N 0.090 120.550 120.500 -0.067 0.000 3.332 240 R HA -0.136 4.206 4.340 0.003 0.000 0.263 240 R C 0.598 176.832 176.300 -0.111 0.000 1.053 240 R CA 0.714 56.768 56.100 -0.077 0.000 0.705 240 R CB -2.386 27.875 30.300 -0.066 0.000 1.166 240 R HN 0.594 nan 8.270 nan 0.000 0.427 241 G N 0.145 108.890 108.800 -0.093 0.000 2.616 241 G HA2 0.289 4.251 3.960 0.003 0.000 0.268 241 G HA3 0.289 4.251 3.960 0.003 0.000 0.268 241 G C -0.055 174.843 174.900 -0.003 0.000 1.213 241 G CA 0.045 45.096 45.100 -0.082 0.000 0.926 241 G HN 0.198 nan 8.290 nan 0.000 0.523 242 S N -1.808 113.909 115.700 0.029 0.000 2.584 242 S HA 0.336 4.808 4.470 0.003 0.000 0.273 242 S C 1.684 176.388 174.600 0.173 0.000 1.311 242 S CA 0.177 58.422 58.200 0.075 0.000 1.034 242 S CB 0.981 64.219 63.200 0.064 0.000 0.939 242 S HN 0.857 nan 8.310 nan 0.000 0.513 243 T N 1.180 115.839 114.554 0.175 0.000 3.067 243 T HA 0.012 4.364 4.350 0.003 0.000 0.257 243 T C 1.974 176.804 174.700 0.217 0.000 1.105 243 T CA 0.893 63.166 62.100 0.289 0.000 1.104 243 T CB -0.371 68.602 68.868 0.176 0.000 0.925 243 T HN 0.485 nan 8.240 nan 0.000 0.498 244 S N 2.900 118.646 115.700 0.076 0.000 2.381 244 S HA -0.076 4.396 4.470 0.003 0.000 0.230 244 S C -0.585 173.932 174.600 -0.138 0.000 1.052 244 S CA 1.599 59.783 58.200 -0.026 0.000 1.068 244 S CB -1.300 61.848 63.200 -0.086 0.000 0.918 244 S HN 0.424 nan 8.310 nan 0.000 0.448 245 P HA -0.073 nan 4.420 nan 0.000 0.218 245 P C 0.417 177.370 177.300 -0.578 0.000 1.146 245 P CA 1.104 63.839 63.100 -0.608 0.000 0.813 245 P CB -0.126 30.985 31.700 -0.982 0.000 0.778 246 F N -2.470 117.546 119.950 0.111 0.000 2.695 246 F HA 0.202 4.731 4.527 0.003 0.000 0.303 246 F C 1.009 176.875 175.800 0.110 0.000 1.091 246 F CA -0.536 57.519 58.000 0.091 0.000 1.300 246 F CB -0.800 38.195 39.000 -0.008 0.000 1.071 246 F HN -0.254 nan 8.300 nan 0.000 0.578 247 L N 0.731 122.082 121.223 0.213 0.000 2.499 247 L HA 0.069 4.411 4.340 0.003 0.000 0.273 247 L C 1.779 178.778 176.870 0.215 0.000 1.195 247 L CA -0.185 54.750 54.840 0.157 0.000 0.882 247 L CB 0.589 42.693 42.059 0.075 0.000 1.133 247 L HN 0.252 nan 8.230 nan 0.000 0.483 248 A N 3.394 126.309 122.820 0.158 0.000 1.958 248 A HA -0.213 4.109 4.320 0.003 0.000 0.221 248 A C 2.098 179.767 177.584 0.141 0.000 1.178 248 A CA 1.867 53.999 52.037 0.158 0.000 0.642 248 A CB -0.469 18.582 19.000 0.085 0.000 0.816 248 A HN 0.919 nan 8.150 nan 0.000 0.453 249 E N -0.298 119.946 120.200 0.073 0.000 2.118 249 E HA -0.165 4.187 4.350 0.003 0.000 0.195 249 E C 1.891 178.473 176.600 -0.030 0.000 0.992 249 E CA 1.473 57.883 56.400 0.018 0.000 0.804 249 E CB -1.040 28.657 29.700 -0.005 0.000 0.741 249 E HN 0.490 nan 8.360 nan 0.000 0.458 250 G N -0.150 108.605 108.800 -0.076 0.000 2.598 250 G HA2 -0.141 3.821 3.960 0.003 0.000 0.215 250 G HA3 -0.141 3.821 3.960 0.003 0.000 0.215 250 G C 0.714 175.295 174.900 -0.532 0.000 1.131 250 G CA 0.966 45.877 45.100 -0.315 0.000 0.785 250 G HN 0.374 nan 8.290 nan 0.000 0.539 251 H N -0.730 118.335 119.070 -0.009 0.000 2.162 251 H HA 0.192 4.750 4.556 0.003 0.000 0.228 251 H C 1.823 177.152 175.328 0.002 0.000 0.941 251 H CA 0.235 56.286 56.048 0.006 0.000 1.213 251 H CB -0.204 29.576 29.762 0.030 0.000 1.318 251 H HN 0.064 nan 8.280 nan 0.000 0.496 252 D N 0.674 121.170 120.400 0.161 0.000 2.172 252 D HA -0.134 4.508 4.640 0.003 0.000 0.196 252 D C 1.622 177.940 176.300 0.031 0.000 0.999 252 D CA 1.595 55.643 54.000 0.079 0.000 0.856 252 D CB 0.134 40.974 40.800 0.068 0.000 0.934 252 D HN 0.379 nan 8.370 nan 0.000 0.453 253 I N -0.367 120.212 120.570 0.015 0.000 2.900 253 I HA 0.054 4.226 4.170 0.003 0.000 0.251 253 I C 2.245 178.339 176.117 -0.038 0.000 1.102 253 I CA 0.501 61.793 61.300 -0.013 0.000 1.457 253 I CB -0.124 37.867 38.000 -0.014 0.000 1.285 253 I HN -0.080 nan 8.210 nan 0.000 0.459 254 A N 0.304 123.088 122.820 -0.060 0.000 1.929 254 A HA -0.023 4.299 4.320 0.003 0.000 0.216 254 A C 1.706 179.238 177.584 -0.087 0.000 1.176 254 A CA 1.050 53.038 52.037 -0.081 0.000 0.628 254 A CB -0.071 18.863 19.000 -0.111 0.000 0.816 254 A HN 0.344 nan 8.150 nan 0.000 0.444 255 R N -0.068 120.381 120.500 -0.085 0.000 2.818 255 R HA 0.181 4.523 4.340 0.003 0.000 0.258 255 R C -2.844 173.421 176.300 -0.059 0.000 1.797 255 R CA -1.308 54.742 56.100 -0.084 0.000 1.532 255 R CB 1.088 31.363 30.300 -0.041 0.000 1.413 255 R HN 0.126 nan 8.270 nan 0.000 0.622 256 P HA -0.032 nan 4.420 nan 0.000 0.246 256 P C -0.712 176.540 177.300 -0.080 0.000 1.675 256 P CA 0.143 63.209 63.100 -0.058 0.000 0.908 256 P CB -0.256 31.409 31.700 -0.057 0.000 1.890 257 H N 0.633 119.735 119.070 0.053 0.000 2.646 257 H HA 0.085 4.642 4.556 0.003 0.000 0.325 257 H C 1.358 176.735 175.328 0.081 0.000 1.075 257 H CA 0.064 56.144 56.048 0.054 0.000 1.421 257 H CB 1.411 31.198 29.762 0.041 0.000 1.461 257 H HN 0.315 nan 8.280 nan 0.000 0.525 258 E N 3.036 123.365 120.200 0.216 0.000 2.048 258 E HA -0.189 4.163 4.350 0.003 0.000 0.202 258 E C 2.008 178.756 176.600 0.246 0.000 1.021 258 E CA 1.471 57.997 56.400 0.209 0.000 0.825 258 E CB -0.196 29.649 29.700 0.242 0.000 0.756 258 E HN 0.920 nan 8.360 nan 0.000 0.454 259 G N 0.470 109.409 108.800 0.232 0.000 2.440 259 G HA2 -0.364 3.598 3.960 0.003 0.000 0.218 259 G HA3 -0.364 3.598 3.960 0.003 0.000 0.218 259 G C 1.459 176.414 174.900 0.092 0.000 1.154 259 G CA 1.019 46.188 45.100 0.114 0.000 0.767 259 G HN 0.356 nan 8.290 nan 0.000 0.552 260 Q N -0.251 119.621 119.800 0.121 0.000 2.084 260 Q HA -0.048 4.294 4.340 0.003 0.000 0.202 260 Q C 2.586 178.635 176.000 0.081 0.000 0.978 260 Q CA 1.100 56.981 55.803 0.130 0.000 0.844 260 Q CB -0.196 28.681 28.738 0.232 0.000 0.898 260 Q HN 0.582 nan 8.270 nan 0.000 0.426 261 I N 0.958 121.598 120.570 0.116 0.000 2.226 261 I HA -0.287 3.885 4.170 0.003 0.000 0.245 261 I C 1.704 177.837 176.117 0.027 0.000 1.100 261 I CA 1.164 62.505 61.300 0.068 0.000 1.374 261 I CB -0.316 37.742 38.000 0.097 0.000 1.057 261 I HN 0.229 nan 8.210 nan 0.000 0.413 262 D N 0.407 120.856 120.400 0.080 0.000 2.117 262 D HA -0.146 4.496 4.640 0.003 0.000 0.197 262 D C 2.206 178.530 176.300 0.039 0.000 0.987 262 D CA 1.587 55.637 54.000 0.084 0.000 0.829 262 D CB -0.347 40.563 40.800 0.183 0.000 0.961 262 D HN 0.266 nan 8.370 nan 0.000 0.460 263 T N 0.628 115.196 114.554 0.024 0.000 2.777 263 T HA -0.062 4.290 4.350 0.003 0.000 0.266 263 T C 2.021 176.703 174.700 -0.030 0.000 1.040 263 T CA 1.370 63.472 62.100 0.004 0.000 1.141 263 T CB -0.257 68.621 68.868 0.017 0.000 0.868 263 T HN 0.180 nan 8.240 nan 0.000 0.444 264 A N 1.534 124.284 122.820 -0.116 0.000 1.908 264 A HA 0.073 4.395 4.320 0.003 0.000 0.218 264 A C 2.621 180.154 177.584 -0.086 0.000 1.181 264 A CA 1.961 53.877 52.037 -0.202 0.000 0.627 264 A CB -1.104 17.408 19.000 -0.814 0.000 0.818 264 A HN 0.510 nan 8.150 nan 0.000 0.445 265 A N 0.071 122.852 122.820 -0.066 0.000 1.898 265 A HA -0.177 4.145 4.320 0.003 0.000 0.216 265 A C 1.908 179.473 177.584 -0.031 0.000 1.181 265 A CA 1.806 53.827 52.037 -0.027 0.000 0.620 265 A CB -0.584 18.413 19.000 -0.005 0.000 0.819 265 A HN 0.542 nan 8.150 nan 0.000 0.442 266 N N -0.396 118.286 118.700 -0.030 0.000 2.188 266 N HA -0.085 4.657 4.740 0.003 0.000 0.184 266 N C 1.583 177.039 175.510 -0.091 0.000 1.018 266 N CA 1.371 54.398 53.050 -0.038 0.000 0.858 266 N CB -0.379 38.098 38.487 -0.016 0.000 0.989 266 N HN 0.316 nan 8.380 nan 0.000 0.426 267 M N 0.520 120.034 119.600 -0.142 0.000 2.229 267 M HA -0.017 4.465 4.480 0.003 0.000 0.264 267 M C 1.857 177.969 176.300 -0.313 0.000 1.063 267 M CA 1.063 56.171 55.300 -0.319 0.000 1.114 267 M CB -0.767 31.489 32.600 -0.573 0.000 1.387 267 M HN 0.127 nan 8.290 nan 0.000 0.420 268 R N -0.361 120.042 120.500 -0.163 0.000 2.090 268 R HA 0.013 4.355 4.340 0.003 0.000 0.228 268 R C 2.277 178.531 176.300 -0.076 0.000 1.110 268 R CA 1.305 57.352 56.100 -0.089 0.000 0.973 268 R CB -0.285 30.010 30.300 -0.009 0.000 0.869 268 R HN 0.366 nan 8.270 nan 0.000 0.440 269 A N 0.817 123.598 122.820 -0.065 0.000 1.929 269 A HA -0.060 4.262 4.320 0.003 0.000 0.216 269 A C 2.077 179.628 177.584 -0.055 0.000 1.176 269 A CA 0.891 52.901 52.037 -0.045 0.000 0.628 269 A CB -0.324 18.660 19.000 -0.028 0.000 0.816 269 A HN 0.152 nan 8.150 nan 0.000 0.444 270 L N -1.252 119.923 121.223 -0.080 0.000 2.056 270 L HA -0.095 4.247 4.340 0.003 0.000 0.207 270 L C 2.558 179.373 176.870 -0.091 0.000 1.078 270 L CA 1.280 56.074 54.840 -0.078 0.000 0.749 270 L CB -0.347 41.654 42.059 -0.097 0.000 0.901 270 L HN 0.373 nan 8.230 nan 0.000 0.433 271 M N -1.072 118.451 119.600 -0.128 0.000 2.556 271 M HA 0.008 4.490 4.480 0.003 0.000 0.245 271 M C 0.809 177.061 176.300 -0.080 0.000 1.128 271 M CA 0.106 55.334 55.300 -0.119 0.000 1.069 271 M CB -0.025 32.475 32.600 -0.167 0.000 1.469 271 M HN 0.062 nan 8.290 nan 0.000 0.494 272 R N 1.569 122.030 120.500 -0.066 0.000 2.494 272 R HA -0.005 4.337 4.340 0.003 0.000 0.291 272 R C 0.769 177.045 176.300 -0.041 0.000 0.953 272 R CA 1.290 57.364 56.100 -0.043 0.000 1.098 272 R CB -0.072 30.208 30.300 -0.033 0.000 0.911 272 R HN 0.553 nan 8.270 nan 0.000 0.407 273 G N 2.695 111.474 108.800 -0.035 0.000 2.147 273 G HA2 -0.302 3.660 3.960 0.003 0.000 0.244 273 G HA3 -0.302 3.660 3.960 0.003 0.000 0.244 273 G C -0.039 174.830 174.900 -0.051 0.000 1.005 273 G CA 0.445 45.523 45.100 -0.038 0.000 0.713 273 G HN 0.709 nan 8.290 nan 0.000 0.515 274 S N -0.601 115.066 115.700 -0.055 0.000 2.565 274 S HA 0.591 5.063 4.470 0.003 0.000 0.274 274 S C 1.515 176.079 174.600 -0.059 0.000 1.309 274 S CA 0.790 58.950 58.200 -0.068 0.000 1.043 274 S CB 1.265 64.423 63.200 -0.070 0.000 0.939 274 S HN 1.308 nan 8.310 nan 0.000 0.504 275 G N 3.262 112.020 108.800 -0.070 0.000 3.126 275 G HA2 0.223 4.185 3.960 0.003 0.000 0.224 275 G HA3 0.223 4.185 3.960 0.003 0.000 0.224 275 G C 0.782 175.650 174.900 -0.054 0.000 1.142 275 G CA -0.130 44.935 45.100 -0.057 0.000 0.759 275 G HN 0.665 nan 8.290 nan 0.000 0.550 276 L N 0.715 121.903 121.223 -0.060 0.000 2.425 276 L HA 0.180 4.522 4.340 0.003 0.000 0.215 276 L C 1.797 178.641 176.870 -0.044 0.000 1.065 276 L CA 0.462 55.270 54.840 -0.054 0.000 0.842 276 L CB -0.131 41.888 42.059 -0.066 0.000 1.033 276 L HN 0.184 nan 8.230 nan 0.000 0.474 277 T N -0.293 114.237 114.554 -0.040 0.000 2.860 277 T HA 0.373 4.725 4.350 0.003 0.000 0.299 277 T C -0.082 174.611 174.700 -0.012 0.000 1.045 277 T CA -0.572 61.514 62.100 -0.024 0.000 1.071 277 T CB 1.447 70.307 68.868 -0.013 0.000 0.985 277 T HN 0.011 nan 8.240 nan 0.000 0.537 278 V N -0.974 118.940 119.914 0.000 0.000 2.715 278 V HA 0.691 4.813 4.120 0.003 0.000 0.310 278 V C -0.332 175.782 176.094 0.033 0.000 1.054 278 V CA -1.126 61.177 62.300 0.005 0.000 0.928 278 V CB 1.733 33.552 31.823 -0.007 0.000 1.007 278 V HN 0.920 nan 8.190 nan 0.000 0.437 279 E N 1.309 121.527 120.200 0.031 0.000 2.283 279 E HA 0.234 4.586 4.350 0.003 0.000 0.271 279 E C 0.496 177.140 176.600 0.072 0.000 1.031 279 E CA -0.356 56.079 56.400 0.059 0.000 0.868 279 E CB 1.526 31.252 29.700 0.043 0.000 1.094 279 E HN 0.990 nan 8.360 nan 0.000 0.401 280 H N 2.513 121.588 119.070 0.007 0.000 2.353 280 H HA -0.169 4.389 4.556 0.004 0.000 0.298 280 H C 1.696 177.023 175.328 -0.001 0.000 1.103 280 H CA 2.477 58.525 56.048 0.001 0.000 1.293 280 H CB 0.125 29.885 29.762 -0.002 0.000 1.372 280 H HN 0.609 nan 8.280 nan 0.000 0.501 281 A N 0.621 123.430 122.820 -0.018 0.000 1.873 281 A HA -0.247 4.075 4.320 0.003 0.000 0.218 281 A C 2.190 179.715 177.584 -0.099 0.000 1.193 281 A CA 2.115 54.111 52.037 -0.069 0.000 0.629 281 A CB -0.661 18.335 19.000 -0.007 0.000 0.826 281 A HN 0.577 nan 8.150 nan 0.000 0.447 282 D N -0.083 120.281 120.400 -0.060 0.000 2.097 282 D HA -0.123 4.519 4.640 0.003 0.000 0.195 282 D C 2.035 178.288 176.300 -0.078 0.000 0.989 282 D CA 1.062 55.029 54.000 -0.054 0.000 0.827 282 D CB -0.450 40.333 40.800 -0.029 0.000 0.966 282 D HN 0.442 nan 8.370 nan 0.000 0.456 283 L N 0.550 121.714 121.223 -0.098 0.000 1.970 283 L HA -0.199 4.144 4.340 0.003 0.000 0.212 283 L C 2.746 179.529 176.870 -0.145 0.000 1.071 283 L CA 1.314 56.092 54.840 -0.102 0.000 0.751 283 L CB -0.353 41.654 42.059 -0.087 0.000 0.889 283 L HN 0.011 nan 8.230 nan 0.000 0.432 284 R N 0.127 120.465 120.500 -0.270 0.000 2.117 284 R HA -0.198 4.144 4.340 0.003 0.000 0.243 284 R C 2.369 178.590 176.300 -0.132 0.000 1.143 284 R CA 1.558 57.510 56.100 -0.247 0.000 0.968 284 R CB -0.109 29.968 30.300 -0.372 0.000 0.863 284 R HN 0.311 nan 8.270 nan 0.000 0.444 285 R N 0.012 120.446 120.500 -0.111 0.000 2.073 285 R HA -0.106 4.236 4.340 0.003 0.000 0.229 285 R C 2.355 178.623 176.300 -0.052 0.000 1.120 285 R CA 1.475 57.535 56.100 -0.068 0.000 0.967 285 R CB -0.262 30.005 30.300 -0.055 0.000 0.862 285 R HN 0.447 nan 8.270 nan 0.000 0.436 286 E N 0.993 121.161 120.200 -0.053 0.000 2.077 286 E HA -0.221 4.131 4.350 0.003 0.000 0.193 286 E C 1.926 178.505 176.600 -0.034 0.000 0.989 286 E CA 1.035 57.413 56.400 -0.036 0.000 0.800 286 E CB 0.016 29.697 29.700 -0.032 0.000 0.746 286 E HN 0.112 nan 8.360 nan 0.000 0.452 287 L N 1.212 122.409 121.223 -0.044 0.000 2.056 287 L HA -0.161 4.181 4.340 0.003 0.000 0.207 287 L C 2.482 179.329 176.870 -0.038 0.000 1.078 287 L CA 1.833 56.649 54.840 -0.041 0.000 0.749 287 L CB -0.612 41.417 42.059 -0.049 0.000 0.901 287 L HN 0.160 nan 8.230 nan 0.000 0.433 288 Q N 0.077 119.851 119.800 -0.043 0.000 2.124 288 Q HA -0.257 4.085 4.340 0.003 0.000 0.202 288 Q C 2.210 178.194 176.000 -0.027 0.000 0.977 288 Q CA 1.913 57.695 55.803 -0.035 0.000 0.850 288 Q CB -0.288 28.428 28.738 -0.037 0.000 0.901 288 Q HN 0.410 nan 8.270 nan 0.000 0.429 289 K N 0.169 120.553 120.400 -0.027 0.000 2.283 289 K HA -0.130 4.192 4.320 0.003 0.000 0.202 289 K C 1.028 177.618 176.600 -0.018 0.000 1.048 289 K CA 1.601 57.876 56.287 -0.021 0.000 0.948 289 K CB -0.377 32.111 32.500 -0.020 0.000 0.742 289 K HN 0.294 nan 8.250 nan 0.000 0.458 290 D N -0.267 120.121 120.400 -0.020 0.000 2.340 290 D HA 0.015 4.657 4.640 0.003 0.000 0.220 290 D C -0.532 175.756 176.300 -0.019 0.000 1.039 290 D CA 0.283 54.272 54.000 -0.018 0.000 0.866 290 D CB 0.328 41.117 40.800 -0.018 0.000 0.913 290 D HN 0.073 nan 8.370 nan 0.000 0.523 291 K N 0.940 121.328 120.400 -0.021 0.000 2.156 291 K HA 0.292 4.614 4.320 0.003 0.000 0.271 291 K C -0.246 176.344 176.600 -0.016 0.000 0.995 291 K CA -0.504 55.771 56.287 -0.020 0.000 0.890 291 K CB 1.952 34.438 32.500 -0.023 0.000 1.073 291 K HN 0.123 nan 8.250 nan 0.000 0.454 292 E N 0.714 120.905 120.200 -0.015 0.000 2.313 292 E HA 0.133 4.485 4.350 0.003 0.000 0.272 292 E C 0.362 176.955 176.600 -0.012 0.000 1.038 292 E CA -0.294 56.099 56.400 -0.012 0.000 0.863 292 E CB 1.314 31.008 29.700 -0.011 0.000 1.060 292 E HN 0.720 nan 8.360 nan 0.000 0.402 293 A N 2.514 125.328 122.820 -0.011 0.000 2.208 293 A HA 0.075 4.397 4.320 0.003 0.000 0.209 293 A C 1.611 179.189 177.584 -0.009 0.000 1.161 293 A CA 0.749 52.780 52.037 -0.010 0.000 0.782 293 A CB 0.010 19.005 19.000 -0.009 0.000 0.816 293 A HN 0.665 nan 8.150 nan 0.000 0.477 294 G N -0.387 108.408 108.800 -0.009 0.000 3.141 294 G HA2 0.259 4.221 3.960 0.003 0.000 0.218 294 G HA3 0.259 4.221 3.960 0.003 0.000 0.218 294 G C 0.387 175.282 174.900 -0.008 0.000 1.170 294 G CA -0.199 44.897 45.100 -0.008 0.000 0.769 294 G HN 0.440 nan 8.290 nan 0.000 0.546 295 K N 0.094 120.488 120.400 -0.010 0.000 2.371 295 K HA 0.320 4.642 4.320 0.003 0.000 0.251 295 K C -0.515 176.078 176.600 -0.011 0.000 0.934 295 K CA -0.828 55.453 56.287 -0.010 0.000 0.798 295 K CB 2.226 34.719 32.500 -0.012 0.000 1.204 295 K HN -0.236 nan 8.250 nan 0.000 0.427 296 D N 0.436 120.830 120.400 -0.011 0.000 2.249 296 D HA -0.041 4.601 4.640 0.003 0.000 0.205 296 D C -0.088 176.204 176.300 -0.013 0.000 0.962 296 D CA 0.937 54.930 54.000 -0.011 0.000 0.860 296 D CB 0.561 41.355 40.800 -0.009 0.000 0.955 296 D HN 0.117 nan 8.370 nan 0.000 0.505 297 V N 1.021 120.926 119.914 -0.015 0.000 2.559 297 V HA 0.242 4.364 4.120 0.003 0.000 0.289 297 V C -1.573 174.508 176.094 -0.020 0.000 1.036 297 V CA -0.498 61.791 62.300 -0.018 0.000 0.887 297 V CB 1.422 33.235 31.823 -0.017 0.000 1.022 297 V HN -0.146 nan 8.190 nan 0.000 0.442 298 Q N 4.772 124.557 119.800 -0.025 0.000 2.241 298 Q HA 0.668 5.010 4.340 0.003 0.000 0.262 298 Q C -0.722 175.256 176.000 -0.036 0.000 1.014 298 Q CA -0.875 54.912 55.803 -0.027 0.000 0.885 298 Q CB 2.467 31.189 28.738 -0.025 0.000 1.311 298 Q HN 0.687 nan 8.270 nan 0.000 0.461 299 R N 0.493 120.972 120.500 -0.035 0.000 2.346 299 R HA 0.504 4.846 4.340 0.003 0.000 0.311 299 R C -0.739 175.532 176.300 -0.050 0.000 0.983 299 R CA -0.335 55.738 56.100 -0.046 0.000 0.880 299 R CB 1.745 32.025 30.300 -0.034 0.000 1.100 299 R HN 0.397 nan 8.270 nan 0.000 0.453 300 S N 0.614 116.268 115.700 -0.076 0.000 2.600 300 S HA 0.150 4.622 4.470 0.003 0.000 0.300 300 S C 0.316 174.865 174.600 -0.084 0.000 1.087 300 S CA -0.684 57.473 58.200 -0.072 0.000 0.965 300 S CB 1.837 64.987 63.200 -0.083 0.000 1.089 300 S HN 0.754 nan 8.310 nan 0.000 0.496 301 E N 1.740 121.921 120.200 -0.032 0.000 2.474 301 E HA 0.314 4.666 4.350 0.003 0.000 0.195 301 E C -0.376 176.267 176.600 0.072 0.000 1.039 301 E CA 0.075 56.491 56.400 0.027 0.000 0.881 301 E CB 0.223 29.958 29.700 0.058 0.000 0.970 301 E HN 0.623 nan 8.360 nan 0.000 0.486 302 I N 1.085 121.650 120.570 -0.007 0.000 2.428 302 I HA 0.189 4.361 4.170 0.003 0.000 0.296 302 I C -0.763 175.325 176.117 -0.048 0.000 0.985 302 I CA -0.784 60.544 61.300 0.047 0.000 1.260 302 I CB 0.947 38.956 38.000 0.014 0.000 1.389 302 I HN -0.058 nan 8.210 nan 0.000 0.484 303 Y N 5.287 125.612 120.300 0.042 0.000 2.356 303 Y HA 0.194 4.745 4.550 0.003 0.000 0.334 303 Y C 0.675 176.590 175.900 0.025 0.000 0.958 303 Y CA -0.596 57.536 58.100 0.052 0.000 1.196 303 Y CB 1.632 40.156 38.460 0.107 0.000 1.137 303 Y HN 0.484 nan 8.280 nan 0.000 0.485 304 L N 2.277 123.570 121.223 0.117 0.000 2.265 304 L HA -0.076 4.266 4.340 0.003 0.000 0.215 304 L C 0.133 177.092 176.870 0.147 0.000 1.117 304 L CA 1.814 56.720 54.840 0.110 0.000 0.782 304 L CB -0.215 41.904 42.059 0.099 0.000 0.914 304 L HN 0.617 nan 8.230 nan 0.000 0.441 305 Q N -0.814 119.084 119.800 0.162 0.000 2.421 305 Q HA 0.379 4.721 4.340 0.003 0.000 0.280 305 Q C -0.785 175.307 176.000 0.153 0.000 1.085 305 Q CA -1.087 54.793 55.803 0.129 0.000 0.807 305 Q CB 2.046 30.855 28.738 0.117 0.000 1.405 305 Q HN -0.128 nan 8.270 nan 0.000 0.419 306 K N 0.354 120.805 120.400 0.085 0.000 2.240 306 K HA 0.659 4.981 4.320 0.003 0.000 0.237 306 K C -0.139 176.556 176.600 0.158 0.000 1.027 306 K CA -0.595 55.741 56.287 0.082 0.000 0.937 306 K CB 0.609 33.091 32.500 -0.029 0.000 1.171 306 K HN 0.742 nan 8.250 nan 0.000 0.479 307 A N 0.332 123.256 122.820 0.174 0.000 2.429 307 A HA 0.057 4.379 4.320 0.003 0.000 0.242 307 A C 0.643 178.374 177.584 0.244 0.000 1.088 307 A CA 0.115 52.234 52.037 0.136 0.000 0.784 307 A CB -0.274 18.748 19.000 0.038 0.000 1.038 307 A HN 0.603 nan 8.150 nan 0.000 0.501 308 Y N 0.972 121.288 120.300 0.027 0.000 2.151 308 Y HA -0.241 4.310 4.550 0.002 0.000 0.284 308 Y C 3.032 178.946 175.900 0.023 0.000 1.166 308 Y CA 1.816 59.925 58.100 0.016 0.000 1.163 308 Y CB -1.420 37.046 38.460 0.010 0.000 0.974 308 Y HN 0.772 nan 8.280 nan 0.000 0.511 309 S N -0.519 115.297 115.700 0.193 0.000 2.442 309 S HA -0.106 4.366 4.470 0.003 0.000 0.236 309 S C 1.477 176.146 174.600 0.115 0.000 1.007 309 S CA 1.090 59.362 58.200 0.121 0.000 0.965 309 S CB -0.714 62.531 63.200 0.075 0.000 0.773 309 S HN 0.478 nan 8.310 nan 0.000 0.504 310 L N -0.128 121.174 121.223 0.132 0.000 2.857 310 L HA 0.482 4.824 4.340 0.003 0.000 0.249 310 L C 2.111 179.070 176.870 0.147 0.000 1.172 310 L CA -0.127 54.797 54.840 0.141 0.000 0.980 310 L CB 0.164 42.297 42.059 0.123 0.000 1.299 310 L HN 0.276 nan 8.230 nan 0.000 0.535 311 R N -0.041 120.515 120.500 0.093 0.000 2.716 311 R HA 0.241 4.583 4.340 0.003 0.000 0.186 311 R C 1.453 177.695 176.300 -0.096 0.000 0.830 311 R CA 0.750 56.824 56.100 -0.043 0.000 1.059 311 R CB 0.160 30.454 30.300 -0.010 0.000 1.531 311 R HN 0.089 nan 8.270 nan 0.000 0.633 312 A N 1.117 123.922 122.820 -0.025 0.000 2.359 312 A HA 0.181 4.503 4.320 0.003 0.000 0.240 312 A C 1.169 178.766 177.584 0.021 0.000 1.306 312 A CA -0.017 51.988 52.037 -0.053 0.000 0.898 312 A CB -0.408 18.527 19.000 -0.109 0.000 0.956 312 A HN 0.255 nan 8.150 nan 0.000 0.497 313 I N 0.620 121.244 120.570 0.090 0.000 2.163 313 I HA -0.156 4.016 4.170 0.003 0.000 0.243 313 I C -0.550 175.637 176.117 0.116 0.000 1.085 313 I CA 1.708 63.090 61.300 0.136 0.000 1.347 313 I CB -1.024 37.128 38.000 0.253 0.000 1.044 313 I HN 0.201 nan 8.210 nan 0.000 0.408 314 P HA -0.173 nan 4.420 nan 0.000 0.215 314 P C 1.587 178.940 177.300 0.088 0.000 1.153 314 P CA 1.347 64.516 63.100 0.114 0.000 0.853 314 P CB 0.018 31.807 31.700 0.149 0.000 0.788 315 Q N -0.728 119.114 119.800 0.069 0.000 1.993 315 Q HA -0.107 4.235 4.340 0.003 0.000 0.202 315 Q C 2.183 178.170 176.000 -0.022 0.000 0.984 315 Q CA 1.478 57.291 55.803 0.017 0.000 0.837 315 Q CB -1.566 27.156 28.738 -0.026 0.000 0.902 315 Q HN 0.062 nan 8.270 nan 0.000 0.423 316 V N -0.274 119.632 119.914 -0.014 0.000 2.244 316 V HA -0.215 3.907 4.120 0.003 0.000 0.244 316 V C 2.161 178.241 176.094 -0.023 0.000 1.042 316 V CA 1.637 63.925 62.300 -0.021 0.000 1.006 316 V CB -0.752 31.072 31.823 0.002 0.000 0.641 316 V HN 0.184 nan 8.190 nan 0.000 0.446 317 V N 1.121 121.034 119.914 -0.002 0.000 2.490 317 V HA -0.169 3.953 4.120 0.003 0.000 0.250 317 V C 2.617 178.686 176.094 -0.041 0.000 1.061 317 V CA 2.021 64.314 62.300 -0.012 0.000 1.064 317 V CB -1.506 30.323 31.823 0.009 0.000 0.670 317 V HN 0.629 nan 8.190 nan 0.000 0.461 318 G N -0.192 108.591 108.800 -0.029 0.000 2.418 318 G HA2 -0.199 3.763 3.960 0.003 0.000 0.217 318 G HA3 -0.199 3.763 3.960 0.003 0.000 0.217 318 G C 1.771 176.610 174.900 -0.101 0.000 1.158 318 G CA 0.997 46.071 45.100 -0.042 0.000 0.771 318 G HN 0.603 nan 8.290 nan 0.000 0.545 319 A N 0.148 122.903 122.820 -0.108 0.000 1.902 319 A HA 0.068 4.390 4.320 0.003 0.000 0.217 319 A C 2.614 180.120 177.584 -0.131 0.000 1.181 319 A CA 1.829 53.781 52.037 -0.141 0.000 0.623 319 A CB -0.624 18.294 19.000 -0.137 0.000 0.818 319 A HN 0.254 nan 8.150 nan 0.000 0.443 320 V N -0.047 119.803 119.914 -0.106 0.000 2.255 320 V HA -0.311 3.811 4.120 0.003 0.000 0.247 320 V C 2.625 178.618 176.094 -0.167 0.000 1.051 320 V CA 2.370 64.613 62.300 -0.094 0.000 1.018 320 V CB -0.857 30.932 31.823 -0.058 0.000 0.641 320 V HN 0.543 nan 8.190 nan 0.000 0.445 321 R N -0.167 120.180 120.500 -0.256 0.000 2.094 321 R HA -0.222 4.120 4.340 0.003 0.000 0.239 321 R C 2.156 177.952 176.300 -0.840 0.000 1.137 321 R CA 2.102 57.855 56.100 -0.579 0.000 0.943 321 R CB -0.628 29.324 30.300 -0.581 0.000 0.850 321 R HN 0.521 nan 8.270 nan 0.000 0.433 322 D N -0.473 119.643 120.400 -0.473 0.000 2.133 322 D HA -0.143 4.499 4.640 0.003 0.000 0.195 322 D C 1.830 178.099 176.300 -0.052 0.000 0.997 322 D CA 1.770 55.656 54.000 -0.191 0.000 0.840 322 D CB -0.347 40.416 40.800 -0.061 0.000 0.947 322 D HN 0.264 nan 8.370 nan 0.000 0.452 323 T N 0.763 115.274 114.554 -0.073 0.000 2.777 323 T HA -0.048 4.304 4.350 0.003 0.000 0.266 323 T C 2.212 176.984 174.700 0.119 0.000 1.040 323 T CA 0.540 62.660 62.100 0.032 0.000 1.141 323 T CB -0.201 68.671 68.868 0.008 0.000 0.868 323 T HN 0.148 nan 8.240 nan 0.000 0.444 324 L N -0.414 120.819 121.223 0.017 0.000 2.201 324 L HA -0.038 4.304 4.340 0.003 0.000 0.212 324 L C 2.431 179.435 176.870 0.224 0.000 1.105 324 L CA 1.019 55.911 54.840 0.087 0.000 0.775 324 L CB -0.617 41.454 42.059 0.020 0.000 0.913 324 L HN 0.229 nan 8.230 nan 0.000 0.440 325 Y N -1.048 119.333 120.300 0.135 0.000 2.220 325 Y HA -0.217 4.335 4.550 0.004 0.000 0.291 325 Y C 2.833 178.842 175.900 0.181 0.000 1.129 325 Y CA 0.967 59.142 58.100 0.125 0.000 1.161 325 Y CB -1.124 37.394 38.460 0.096 0.000 0.997 325 Y HN 0.255 nan 8.280 nan 0.000 0.522 326 H N 0.162 119.405 119.070 0.289 0.000 2.389 326 H HA -0.062 4.497 4.556 0.005 0.000 0.299 326 H C 2.030 177.511 175.328 0.254 0.000 1.081 326 H CA 1.339 57.551 56.048 0.273 0.000 1.345 326 H CB 0.035 29.935 29.762 0.230 0.000 1.393 326 H HN 0.275 nan 8.280 nan 0.000 0.520 327 A N 1.442 124.473 122.820 0.350 0.000 1.898 327 A HA -0.123 4.199 4.320 0.003 0.000 0.216 327 A C 2.629 180.298 177.584 0.142 0.000 1.181 327 A CA 1.289 53.469 52.037 0.238 0.000 0.620 327 A CB -0.601 18.534 19.000 0.224 0.000 0.819 327 A HN 0.453 nan 8.150 nan 0.000 0.442 328 R N -1.140 119.463 120.500 0.172 0.000 2.092 328 R HA -0.184 4.158 4.340 0.003 0.000 0.231 328 R C 2.150 178.532 176.300 0.136 0.000 1.119 328 R CA 1.690 57.873 56.100 0.139 0.000 0.970 328 R CB -0.584 29.809 30.300 0.156 0.000 0.864 328 R HN 0.832 nan 8.270 nan 0.000 0.440 329 H N 0.495 119.576 119.070 0.018 0.000 2.267 329 H HA -0.123 4.434 4.556 0.003 0.000 0.297 329 H C 1.435 176.730 175.328 -0.055 0.000 1.080 329 H CA 1.606 57.637 56.048 -0.029 0.000 1.278 329 H CB 0.230 29.956 29.762 -0.061 0.000 1.365 329 H HN 0.067 nan 8.280 nan 0.000 0.489 330 K N 0.607 120.900 120.400 -0.179 0.000 2.103 330 K HA -0.131 4.191 4.320 0.003 0.000 0.207 330 K C 2.484 179.027 176.600 -0.095 0.000 1.048 330 K CA 0.754 56.906 56.287 -0.225 0.000 0.930 330 K CB -0.347 32.053 32.500 -0.167 0.000 0.716 330 K HN 0.404 nan 8.250 nan 0.000 0.444 331 L N 0.299 121.507 121.223 -0.024 0.000 2.056 331 L HA -0.121 4.221 4.340 0.003 0.000 0.207 331 L C 2.828 179.698 176.870 -0.000 0.000 1.078 331 L CA 1.057 55.896 54.840 -0.001 0.000 0.749 331 L CB -0.331 41.743 42.059 0.026 0.000 0.901 331 L HN 0.164 nan 8.230 nan 0.000 0.433 332 R N 0.669 121.179 120.500 0.017 0.000 2.073 332 R HA -0.165 4.177 4.340 0.003 0.000 0.234 332 R C 2.294 178.598 176.300 0.006 0.000 1.134 332 R CA 1.531 57.648 56.100 0.029 0.000 0.952 332 R CB -0.223 30.119 30.300 0.071 0.000 0.850 332 R HN 0.267 nan 8.270 nan 0.000 0.433 333 I N 0.537 121.088 120.570 -0.032 0.000 2.179 333 I HA -0.241 3.931 4.170 0.003 0.000 0.242 333 I C 2.405 178.500 176.117 -0.036 0.000 1.088 333 I CA 1.481 62.750 61.300 -0.052 0.000 1.357 333 I CB -0.328 37.588 38.000 -0.141 0.000 1.051 333 I HN 0.294 nan 8.210 nan 0.000 0.409 334 E N 1.459 121.634 120.200 -0.041 0.000 2.051 334 E HA -0.199 4.153 4.350 0.003 0.000 0.192 334 E C 2.173 178.768 176.600 -0.008 0.000 0.991 334 E CA 1.380 57.765 56.400 -0.024 0.000 0.799 334 E CB -0.333 29.352 29.700 -0.025 0.000 0.748 334 E HN 0.370 nan 8.360 nan 0.000 0.449 335 L N 0.619 121.839 121.223 -0.005 0.000 2.043 335 L HA -0.195 4.147 4.340 0.003 0.000 0.212 335 L C 1.473 178.346 176.870 0.006 0.000 1.075 335 L CA 1.324 56.164 54.840 0.001 0.000 0.752 335 L CB -0.375 41.686 42.059 0.004 0.000 0.891 335 L HN 0.203 nan 8.230 nan 0.000 0.432 336 N N -0.293 118.412 118.700 0.008 0.000 2.314 336 N HA 0.017 4.759 4.740 0.003 0.000 0.200 336 N C 0.338 175.863 175.510 0.025 0.000 1.135 336 N CA 0.214 53.274 53.050 0.016 0.000 0.835 336 N CB 0.270 38.768 38.487 0.019 0.000 0.989 336 N HN 0.296 nan 8.380 nan 0.000 0.478 337 S N -0.553 115.157 115.700 0.018 0.000 2.651 337 S HA 0.622 5.094 4.470 0.003 0.000 0.291 337 S C 0.272 174.893 174.600 0.035 0.000 1.141 337 S CA -0.865 57.349 58.200 0.022 0.000 1.027 337 S CB 2.256 65.457 63.200 0.002 0.000 1.043 337 S HN 0.097 nan 8.310 nan 0.000 0.530 338 A N 2.752 125.596 122.820 0.039 0.000 3.091 338 A HA 0.245 4.567 4.320 0.003 0.000 0.264 338 A C 0.666 178.272 177.584 0.036 0.000 1.673 338 A CA -0.895 51.171 52.037 0.048 0.000 1.362 338 A CB -1.260 17.761 19.000 0.036 0.000 1.137 338 A HN 0.770 nan 8.150 nan 0.000 0.617 339 N N 1.406 120.130 118.700 0.041 0.000 2.807 339 N HA 0.220 4.962 4.740 0.003 0.000 0.259 339 N C -0.962 174.603 175.510 0.091 0.000 1.149 339 N CA -0.038 53.047 53.050 0.058 0.000 1.042 339 N CB 0.735 39.251 38.487 0.049 0.000 1.367 339 N HN 0.522 nan 8.380 nan 0.000 0.516 340 D N 0.598 121.065 120.400 0.112 0.000 2.665 340 D HA 0.477 5.119 4.640 0.003 0.000 0.287 340 D C -1.825 174.586 176.300 0.185 0.000 1.266 340 D CA -0.562 53.519 54.000 0.134 0.000 0.830 340 D CB 1.598 42.437 40.800 0.064 0.000 1.356 340 D HN 0.381 nan 8.370 nan 0.000 0.437 341 N N -0.040 118.784 118.700 0.207 0.000 2.647 341 N HA 0.383 5.125 4.740 0.003 0.000 0.259 341 N C -2.989 172.642 175.510 0.202 0.000 1.098 341 N CA -0.964 52.219 53.050 0.222 0.000 0.984 341 N CB 2.555 41.277 38.487 0.391 0.000 1.683 341 N HN 0.117 nan 8.380 nan 0.000 0.501 342 P HA 0.331 nan 4.420 nan 0.000 0.277 342 P C -0.869 176.449 177.300 0.029 0.000 1.271 342 P CA -0.403 62.664 63.100 -0.056 0.000 0.795 342 P CB 1.289 32.753 31.700 -0.393 0.000 1.101 343 L N -0.307 120.982 121.223 0.111 0.000 2.341 343 L HA 0.531 4.873 4.340 0.003 0.000 0.267 343 L C -0.029 176.828 176.870 -0.022 0.000 1.009 343 L CA -0.987 53.870 54.840 0.028 0.000 0.819 343 L CB 1.586 43.639 42.059 -0.010 0.000 1.323 343 L HN 0.310 nan 8.230 nan 0.000 0.425 344 F N 1.281 121.029 119.950 -0.338 0.000 2.458 344 F HA 0.718 5.247 4.527 0.003 0.000 0.330 344 F C -1.012 174.467 175.800 -0.534 0.000 1.082 344 F CA -0.419 57.431 58.000 -0.249 0.000 0.995 344 F CB 1.239 40.168 39.000 -0.119 0.000 1.170 344 F HN 0.118 nan 8.300 nan 0.000 0.478 345 F N 1.416 120.946 119.950 -0.701 0.000 2.726 345 F HA 0.345 4.874 4.527 0.003 0.000 0.324 345 F C -0.695 174.730 175.800 -0.624 0.000 1.140 345 F CA -1.080 56.697 58.000 -0.370 0.000 0.964 345 F CB 0.829 39.711 39.000 -0.196 0.000 1.399 345 F HN 0.283 nan 8.300 nan 0.000 0.491 346 E N 0.499 120.722 120.200 0.037 0.000 2.180 346 E HA 0.452 4.804 4.350 0.003 0.000 0.283 346 E C 0.357 176.948 176.600 -0.015 0.000 1.061 346 E CA 0.321 56.736 56.400 0.024 0.000 0.861 346 E CB 0.394 30.154 29.700 0.100 0.000 1.056 346 E HN 0.802 nan 8.360 nan 0.000 0.407 347 G N 4.174 112.958 108.800 -0.027 0.000 2.369 347 G HA2 -0.291 3.671 3.960 0.003 0.000 0.286 347 G HA3 -0.291 3.671 3.960 0.003 0.000 0.286 347 G C -0.206 174.681 174.900 -0.022 0.000 0.938 347 G CA 1.060 46.156 45.100 -0.006 0.000 1.271 347 G HN 0.479 nan 8.290 nan 0.000 0.488 348 K N -0.333 120.040 120.400 -0.045 0.000 2.546 348 K HA 0.476 4.798 4.320 0.003 0.000 0.264 348 K C 0.069 176.683 176.600 0.022 0.000 0.937 348 K CA -0.895 55.388 56.287 -0.006 0.000 0.833 348 K CB 1.174 33.681 32.500 0.011 0.000 1.378 348 K HN 0.095 nan 8.250 nan 0.000 0.432 349 E N 1.849 122.091 120.200 0.070 0.000 2.422 349 E HA 0.038 4.390 4.350 0.003 0.000 0.260 349 E C 0.250 176.967 176.600 0.196 0.000 1.108 349 E CA -0.048 56.419 56.400 0.112 0.000 0.943 349 E CB 0.384 30.146 29.700 0.104 0.000 0.961 349 E HN 0.402 nan 8.360 nan 0.000 0.443 350 I N 2.665 123.385 120.570 0.250 0.000 2.587 350 I HA -0.083 4.089 4.170 0.003 0.000 0.284 350 I C 0.551 176.949 176.117 0.468 0.000 1.134 350 I CA 0.003 61.517 61.300 0.356 0.000 1.410 350 I CB -0.814 37.457 38.000 0.452 0.000 1.392 350 I HN 0.342 nan 8.210 nan 0.000 0.545 351 F N 7.822 127.926 119.950 0.257 0.000 2.506 351 F HA 0.120 4.649 4.527 0.003 0.000 0.371 351 F C 0.157 176.043 175.800 0.143 0.000 1.078 351 F CA -0.015 58.131 58.000 0.244 0.000 1.195 351 F CB 0.060 39.225 39.000 0.274 0.000 1.099 351 F HN 0.366 nan 8.300 nan 0.000 0.548 352 H N 5.002 123.747 119.070 -0.542 0.000 2.632 352 H HA 0.461 5.019 4.556 0.003 0.000 0.258 352 H C 0.491 175.378 175.328 -0.734 0.000 1.278 352 H CA -0.181 55.608 56.048 -0.431 0.000 1.352 352 H CB 0.687 30.338 29.762 -0.185 0.000 1.418 352 H HN 0.757 nan 8.280 nan 0.000 0.513 353 G N 0.521 108.850 108.800 -0.786 0.000 3.286 353 G HA2 0.598 4.560 3.960 0.003 0.000 0.166 353 G HA3 0.598 4.560 3.960 0.003 0.000 0.166 353 G C -0.517 174.188 174.900 -0.325 0.000 1.155 353 G CA -0.251 44.501 45.100 -0.580 0.000 0.871 353 G HN 0.498 nan 8.290 nan 0.000 0.637 354 A N -0.455 122.120 122.820 -0.409 0.000 3.165 354 A HA 0.386 4.708 4.320 0.003 0.000 0.212 354 A C 0.429 177.473 177.584 -0.899 0.000 0.935 354 A CA -0.298 51.070 52.037 -1.115 0.000 1.100 354 A CB -0.202 18.371 19.000 -0.711 0.000 1.260 354 A HN 0.243 nan 8.150 nan 0.000 0.532 355 N N 0.217 118.661 118.700 -0.428 0.000 2.575 355 N HA -0.000 4.742 4.740 0.003 0.000 0.192 355 N C 0.900 176.343 175.510 -0.112 0.000 1.200 355 N CA 0.784 53.734 53.050 -0.168 0.000 0.897 355 N CB -0.428 38.061 38.487 0.003 0.000 0.990 355 N HN 0.770 nan 8.380 nan 0.000 0.449 356 F N -1.445 118.555 119.950 0.084 0.000 2.789 356 F HA 0.231 4.759 4.527 0.003 0.000 0.300 356 F C 0.845 176.660 175.800 0.024 0.000 1.132 356 F CA -0.452 57.574 58.000 0.042 0.000 1.404 356 F CB -0.947 38.070 39.000 0.029 0.000 1.114 356 F HN -0.016 nan 8.300 nan 0.000 0.584 357 H N 1.977 121.053 119.070 0.011 0.000 2.944 357 H HA 0.276 4.833 4.556 0.003 0.000 0.278 357 H C 1.217 176.546 175.328 0.001 0.000 1.083 357 H CA 0.070 56.164 56.048 0.077 0.000 1.479 357 H CB 1.338 31.057 29.762 -0.072 0.000 1.486 357 H HN 0.374 nan 8.280 nan 0.000 0.493 358 G N 3.739 112.579 108.800 0.067 0.000 3.155 358 G HA2 -0.150 3.812 3.960 0.003 0.000 0.213 358 G HA3 -0.150 3.812 3.960 0.003 0.000 0.213 358 G C 1.355 176.254 174.900 -0.002 0.000 1.196 358 G CA -0.141 44.978 45.100 0.032 0.000 0.846 358 G HN 0.509 nan 8.290 nan 0.000 0.516 359 Q N 1.427 121.272 119.800 0.074 0.000 2.112 359 Q HA -0.112 4.230 4.340 0.003 0.000 0.206 359 Q C 0.306 176.103 176.000 -0.337 0.000 0.987 359 Q CA 2.191 57.851 55.803 -0.238 0.000 0.858 359 Q CB -0.593 27.959 28.738 -0.310 0.000 0.905 359 Q HN 0.418 nan 8.270 nan 0.000 0.420 360 P HA -0.155 nan 4.420 nan 0.000 0.216 360 P C 0.793 178.074 177.300 -0.031 0.000 1.150 360 P CA 1.173 64.246 63.100 -0.045 0.000 0.837 360 P CB -0.006 31.680 31.700 -0.024 0.000 0.786 361 I N -0.361 120.176 120.570 -0.055 0.000 2.703 361 I HA 0.021 4.193 4.170 0.003 0.000 0.259 361 I C 2.581 178.659 176.117 -0.064 0.000 1.151 361 I CA 0.505 61.782 61.300 -0.039 0.000 1.470 361 I CB -1.995 35.990 38.000 -0.025 0.000 1.112 361 I HN -0.111 nan 8.210 nan 0.000 0.437 362 A N 1.446 124.201 122.820 -0.108 0.000 1.892 362 A HA -0.227 4.095 4.320 0.003 0.000 0.218 362 A C 2.151 179.674 177.584 -0.102 0.000 1.188 362 A CA 1.667 53.638 52.037 -0.111 0.000 0.631 362 A CB -0.910 17.989 19.000 -0.167 0.000 0.822 362 A HN 0.250 nan 8.150 nan 0.000 0.447 363 F N 0.031 119.811 119.950 -0.284 0.000 2.075 363 F HA -0.088 4.442 4.527 0.005 0.000 0.297 363 F C 2.938 178.061 175.800 -1.129 0.000 1.113 363 F CA 0.382 57.949 58.000 -0.722 0.000 1.218 363 F CB -1.356 37.301 39.000 -0.572 0.000 0.984 363 F HN 0.286 nan 8.300 nan 0.000 0.472 364 A N -0.038 122.588 122.820 -0.322 0.000 1.903 364 A HA -0.263 4.059 4.320 0.003 0.000 0.219 364 A C 2.235 179.790 177.584 -0.048 0.000 1.191 364 A CA 2.256 54.236 52.037 -0.095 0.000 0.638 364 A CB -0.670 18.374 19.000 0.074 0.000 0.823 364 A HN 0.256 nan 8.150 nan 0.000 0.451 365 M N -0.819 118.748 119.600 -0.055 0.000 2.288 365 M HA -0.047 4.435 4.480 0.003 0.000 0.266 365 M C 1.371 177.688 176.300 0.028 0.000 1.072 365 M CA 1.127 56.435 55.300 0.013 0.000 1.132 365 M CB -1.478 31.131 32.600 0.016 0.000 1.386 365 M HN 0.302 nan 8.290 nan 0.000 0.432 366 D N 0.202 120.582 120.400 -0.032 0.000 2.144 366 D HA -0.100 4.542 4.640 0.003 0.000 0.199 366 D C 1.844 178.273 176.300 0.216 0.000 0.984 366 D CA 1.039 55.078 54.000 0.064 0.000 0.834 366 D CB -0.064 40.774 40.800 0.065 0.000 0.955 366 D HN 0.174 nan 8.370 nan 0.000 0.465 367 F N 0.373 120.372 119.950 0.082 0.000 2.146 367 F HA -0.074 4.455 4.527 0.003 0.000 0.298 367 F C 2.520 178.342 175.800 0.037 0.000 1.096 367 F CA 0.156 58.179 58.000 0.037 0.000 1.275 367 F CB -1.233 37.782 39.000 0.025 0.000 1.008 367 F HN -0.140 nan 8.300 nan 0.000 0.480 368 V N -0.263 119.795 119.914 0.240 0.000 2.392 368 V HA -0.291 3.831 4.120 0.003 0.000 0.249 368 V C 2.281 178.443 176.094 0.112 0.000 1.059 368 V CA 2.296 64.685 62.300 0.148 0.000 1.051 368 V CB -1.201 30.694 31.823 0.119 0.000 0.658 368 V HN 0.363 nan 8.190 nan 0.000 0.455 369 T N 0.196 114.818 114.554 0.114 0.000 2.746 369 T HA -0.118 4.234 4.350 0.003 0.000 0.267 369 T C 1.805 176.555 174.700 0.083 0.000 1.039 369 T CA 1.736 63.890 62.100 0.090 0.000 1.142 369 T CB -0.231 68.690 68.868 0.089 0.000 0.866 369 T HN 0.359 nan 8.240 nan 0.000 0.444 370 I N 1.120 121.750 120.570 0.100 0.000 2.202 370 I HA -0.142 4.030 4.170 0.003 0.000 0.242 370 I C 2.939 179.083 176.117 0.045 0.000 1.091 370 I CA 1.009 62.351 61.300 0.070 0.000 1.368 370 I CB -0.539 37.503 38.000 0.070 0.000 1.058 370 I HN 0.191 nan 8.210 nan 0.000 0.410 371 A N 1.301 124.151 122.820 0.049 0.000 1.851 371 A HA -0.197 4.125 4.320 0.003 0.000 0.216 371 A C 2.307 179.906 177.584 0.026 0.000 1.195 371 A CA 1.534 53.584 52.037 0.023 0.000 0.622 371 A CB -1.062 17.953 19.000 0.024 0.000 0.831 371 A HN 0.368 nan 8.150 nan 0.000 0.444 372 L N -0.603 120.645 121.223 0.041 0.000 2.079 372 L HA -0.200 4.142 4.340 0.003 0.000 0.210 372 L C 2.762 179.656 176.870 0.039 0.000 1.081 372 L CA 1.870 56.734 54.840 0.041 0.000 0.752 372 L CB -1.035 41.054 42.059 0.051 0.000 0.896 372 L HN 0.404 nan 8.230 nan 0.000 0.433 373 T N -1.324 113.254 114.554 0.040 0.000 2.788 373 T HA -0.259 4.093 4.350 0.003 0.000 0.268 373 T C 1.824 176.542 174.700 0.031 0.000 1.044 373 T CA 1.453 63.575 62.100 0.038 0.000 1.139 373 T CB -0.109 68.783 68.868 0.039 0.000 0.867 373 T HN 0.224 nan 8.240 nan 0.000 0.454 374 Q N 0.540 120.355 119.800 0.024 0.000 2.172 374 Q HA 0.052 4.394 4.340 0.003 0.000 0.200 374 Q C 2.044 178.057 176.000 0.021 0.000 0.964 374 Q CA 0.875 56.689 55.803 0.018 0.000 0.855 374 Q CB -0.612 28.130 28.738 0.005 0.000 0.918 374 Q HN 0.398 nan 8.270 nan 0.000 0.444 375 L N -0.247 120.989 121.223 0.021 0.000 2.042 375 L HA -0.017 4.325 4.340 0.003 0.000 0.210 375 L C 1.999 178.888 176.870 0.031 0.000 1.076 375 L CA 2.438 57.292 54.840 0.024 0.000 0.749 375 L CB -1.104 40.971 42.059 0.026 0.000 0.893 375 L HN 0.327 nan 8.230 nan 0.000 0.432 376 G N -1.453 107.368 108.800 0.035 0.000 2.402 376 G HA2 -0.181 3.781 3.960 0.003 0.000 0.216 376 G HA3 -0.181 3.781 3.960 0.003 0.000 0.216 376 G C 1.576 176.498 174.900 0.037 0.000 1.162 376 G CA 0.922 46.045 45.100 0.039 0.000 0.777 376 G HN 0.310 nan 8.290 nan 0.000 0.539 377 V N 0.889 120.824 119.914 0.034 0.000 2.282 377 V HA -0.201 3.921 4.120 0.003 0.000 0.249 377 V C 2.721 178.836 176.094 0.034 0.000 1.057 377 V CA 1.888 64.209 62.300 0.034 0.000 1.032 377 V CB -0.528 31.314 31.823 0.031 0.000 0.645 377 V HN 0.377 nan 8.190 nan 0.000 0.447 378 L N 0.747 121.990 121.223 0.033 0.000 2.046 378 L HA -0.062 4.280 4.340 0.003 0.000 0.208 378 L C 2.432 179.319 176.870 0.028 0.000 1.077 378 L CA 2.388 57.249 54.840 0.035 0.000 0.747 378 L CB -1.116 40.963 42.059 0.035 0.000 0.896 378 L HN 0.219 nan 8.230 nan 0.000 0.432 379 A N -0.741 122.094 122.820 0.026 0.000 1.883 379 A HA -0.251 4.071 4.320 0.003 0.000 0.217 379 A C 2.335 179.930 177.584 0.018 0.000 1.186 379 A CA 1.819 53.867 52.037 0.018 0.000 0.624 379 A CB -0.843 18.174 19.000 0.028 0.000 0.822 379 A HN 0.589 nan 8.150 nan 0.000 0.444 380 E N -0.260 119.957 120.200 0.029 0.000 2.153 380 E HA -0.205 4.147 4.350 0.003 0.000 0.194 380 E C 2.056 178.671 176.600 0.024 0.000 0.988 380 E CA 0.835 57.255 56.400 0.033 0.000 0.811 380 E CB -0.177 29.549 29.700 0.043 0.000 0.746 380 E HN 0.391 nan 8.360 nan 0.000 0.466 381 R N 0.279 120.792 120.500 0.022 0.000 2.115 381 R HA -0.049 4.293 4.340 0.003 0.000 0.226 381 R C 2.362 178.663 176.300 0.001 0.000 1.100 381 R CA 0.861 56.969 56.100 0.014 0.000 0.980 381 R CB -0.386 29.926 30.300 0.020 0.000 0.875 381 R HN 0.393 nan 8.270 nan 0.000 0.445 382 Q N 0.134 119.935 119.800 0.002 0.000 2.119 382 Q HA -0.038 4.304 4.340 0.003 0.000 0.201 382 Q C 2.205 178.187 176.000 -0.031 0.000 0.972 382 Q CA 1.062 56.860 55.803 -0.010 0.000 0.847 382 Q CB -0.107 28.623 28.738 -0.013 0.000 0.903 382 Q HN 0.296 nan 8.270 nan 0.000 0.433 383 I N 1.022 121.578 120.570 -0.024 0.000 2.163 383 I HA -0.313 3.859 4.170 0.003 0.000 0.243 383 I C 2.190 178.286 176.117 -0.035 0.000 1.085 383 I CA 1.289 62.571 61.300 -0.030 0.000 1.347 383 I CB -0.308 37.694 38.000 0.004 0.000 1.044 383 I HN 0.270 nan 8.210 nan 0.000 0.408 384 N N 0.954 119.643 118.700 -0.018 0.000 2.104 384 N HA -0.252 4.490 4.740 0.003 0.000 0.190 384 N C 1.968 177.430 175.510 -0.079 0.000 1.024 384 N CA 1.414 54.448 53.050 -0.027 0.000 0.853 384 N CB -0.110 38.373 38.487 -0.005 0.000 1.008 384 N HN 0.117 nan 8.380 nan 0.000 0.424 385 R N -0.310 120.144 120.500 -0.076 0.000 2.073 385 R HA -0.056 4.286 4.340 0.003 0.000 0.234 385 R C 2.056 178.270 176.300 -0.143 0.000 1.134 385 R CA 1.320 57.354 56.100 -0.111 0.000 0.952 385 R CB -0.632 29.631 30.300 -0.062 0.000 0.850 385 R HN 0.209 nan 8.270 nan 0.000 0.433 386 V N 0.524 120.370 119.914 -0.113 0.000 2.667 386 V HA -0.079 4.043 4.120 0.003 0.000 0.252 386 V C 1.775 177.762 176.094 -0.178 0.000 1.065 386 V CA 1.437 63.660 62.300 -0.129 0.000 1.083 386 V CB -0.074 31.678 31.823 -0.118 0.000 0.692 386 V HN 0.367 nan 8.190 nan 0.000 0.468 387 L N 0.147 121.259 121.223 -0.185 0.000 2.418 387 L HA 0.122 4.464 4.340 0.003 0.000 0.218 387 L C 1.062 177.610 176.870 -0.537 0.000 1.125 387 L CA 0.313 54.997 54.840 -0.260 0.000 0.835 387 L CB -0.341 41.661 42.059 -0.094 0.000 0.953 387 L HN 0.325 nan 8.230 nan 0.000 0.454 388 N N 1.085 119.539 118.700 -0.410 0.000 2.414 388 N HA 0.037 4.779 4.740 0.003 0.000 0.256 388 N C 1.152 176.423 175.510 -0.397 0.000 1.029 388 N CA -0.184 52.597 53.050 -0.448 0.000 0.948 388 N CB 1.256 39.590 38.487 -0.255 0.000 1.102 388 N HN 0.208 nan 8.380 nan 0.000 0.496 389 R N 3.061 123.280 120.500 -0.468 0.000 2.200 389 R HA -0.119 4.223 4.340 0.003 0.000 0.234 389 R C 0.496 176.594 176.300 -0.336 0.000 1.127 389 R CA 1.524 57.391 56.100 -0.388 0.000 0.989 389 R CB -0.464 29.596 30.300 -0.400 0.000 0.869 389 R HN 0.637 nan 8.270 nan 0.000 0.459 390 H N -0.215 118.735 119.070 -0.200 0.000 2.551 390 H HA 0.194 4.752 4.556 0.003 0.000 0.266 390 H C 1.194 176.347 175.328 -0.292 0.000 0.977 390 H CA 0.646 56.583 56.048 -0.184 0.000 1.163 390 H CB 0.372 30.055 29.762 -0.131 0.000 1.381 390 H HN 0.171 nan 8.280 nan 0.000 0.581 391 L N -0.868 120.187 121.223 -0.279 0.000 2.840 391 L HA 0.106 4.448 4.340 0.003 0.000 0.249 391 L C 1.990 178.432 176.870 -0.715 0.000 1.119 391 L CA 0.268 54.802 54.840 -0.510 0.000 0.930 391 L CB 0.260 42.112 42.059 -0.345 0.000 1.295 391 L HN 0.140 nan 8.230 nan 0.000 0.534 392 S N -0.718 114.724 115.700 -0.430 0.000 2.474 392 S HA -0.172 4.300 4.470 0.003 0.000 0.235 392 S C 0.657 175.184 174.600 -0.121 0.000 0.997 392 S CA 0.366 58.407 58.200 -0.265 0.000 0.949 392 S CB -0.473 62.618 63.200 -0.181 0.000 0.766 392 S HN 0.471 nan 8.310 nan 0.000 0.517 393 Y N 0.303 120.544 120.300 -0.097 0.000 4.134 393 Y HA -0.084 4.467 4.550 0.003 0.000 0.234 393 Y C 1.366 177.239 175.900 -0.045 0.000 1.200 393 Y CA 0.465 58.522 58.100 -0.072 0.000 1.958 393 Y CB -1.844 36.571 38.460 -0.075 0.000 1.605 393 Y HN 0.615 nan 8.280 nan 0.000 0.690 394 G N -1.872 106.951 108.800 0.040 0.000 2.336 394 G HA2 -0.171 3.791 3.960 0.003 0.000 0.194 394 G HA3 -0.171 3.791 3.960 0.003 0.000 0.194 394 G C 0.111 175.005 174.900 -0.010 0.000 0.999 394 G CA -0.307 44.807 45.100 0.025 0.000 0.669 394 G HN 0.349 nan 8.290 nan 0.000 0.482 395 L N 2.783 123.986 121.223 -0.033 0.000 2.453 395 L HA 0.468 4.810 4.340 0.003 0.000 0.261 395 L C -1.239 175.588 176.870 -0.073 0.000 1.179 395 L CA -1.918 52.892 54.840 -0.049 0.000 0.813 395 L CB 0.309 42.329 42.059 -0.064 0.000 1.110 395 L HN 0.032 nan 8.230 nan 0.000 0.466 396 P HA 0.053 nan 4.420 nan 0.000 0.274 396 P C -1.031 176.223 177.300 -0.076 0.000 1.231 396 P CA -0.567 62.505 63.100 -0.046 0.000 0.790 396 P CB 0.475 32.172 31.700 -0.004 0.000 0.951 397 E N 2.563 122.716 120.200 -0.077 0.000 2.585 397 E HA -0.116 4.236 4.350 0.003 0.000 0.252 397 E C -0.290 176.339 176.600 0.048 0.000 0.981 397 E CA -0.097 56.218 56.400 -0.142 0.000 0.943 397 E CB -0.535 29.165 29.700 -0.001 0.000 0.923 397 E HN 0.440 nan 8.360 nan 0.000 0.486 398 F N 1.525 121.462 119.950 -0.023 0.000 3.100 398 F HA -0.271 4.257 4.527 0.003 0.000 0.283 398 F C 0.878 176.715 175.800 0.063 0.000 0.900 398 F CA 0.774 58.783 58.000 0.016 0.000 1.010 398 F CB -2.025 36.992 39.000 0.028 0.000 1.029 398 F HN 0.592 nan 8.300 nan 0.000 0.637 399 L N -2.618 118.662 121.223 0.095 0.000 3.839 399 L HA -0.281 4.061 4.340 0.003 0.000 0.416 399 L C 0.204 177.167 176.870 0.156 0.000 1.195 399 L CA 0.055 54.941 54.840 0.077 0.000 0.946 399 L CB -2.022 40.026 42.059 -0.019 0.000 1.891 399 L HN 0.115 nan 8.230 nan 0.000 0.963 400 V N -0.024 119.981 119.914 0.152 0.000 2.508 400 V HA 0.051 4.173 4.120 0.003 0.000 0.281 400 V C 1.584 177.716 176.094 0.063 0.000 1.041 400 V CA 0.983 63.359 62.300 0.125 0.000 1.016 400 V CB 1.563 33.468 31.823 0.137 0.000 0.984 400 V HN 0.402 nan 8.190 nan 0.000 0.478 401 S N 3.450 119.166 115.700 0.027 0.000 2.348 401 S HA 0.056 4.528 4.470 0.003 0.000 0.219 401 S C 1.400 175.985 174.600 -0.025 0.000 1.033 401 S CA 0.997 59.197 58.200 -0.001 0.000 0.974 401 S CB -0.037 63.154 63.200 -0.016 0.000 0.868 401 S HN 0.958 nan 8.310 nan 0.000 0.459 402 G N 1.408 110.158 108.800 -0.083 0.000 2.928 402 G HA2 0.175 4.137 3.960 0.003 0.000 0.163 402 G HA3 0.175 4.137 3.960 0.003 0.000 0.163 402 G C -0.830 174.085 174.900 0.026 0.000 1.573 402 G CA -0.395 44.666 45.100 -0.066 0.000 1.084 402 G HN 0.203 nan 8.290 nan 0.000 0.569 403 D N 2.432 122.893 120.400 0.100 0.000 2.352 403 D HA 0.252 4.894 4.640 0.003 0.000 0.245 403 D C -1.801 174.598 176.300 0.164 0.000 1.224 403 D CA -0.759 53.318 54.000 0.130 0.000 0.879 403 D CB 1.200 42.079 40.800 0.130 0.000 1.057 403 D HN 0.037 nan 8.370 nan 0.000 0.491 404 P HA 0.010 nan 4.420 nan 0.000 0.270 404 P C 1.035 178.389 177.300 0.089 0.000 1.227 404 P CA 0.221 63.392 63.100 0.118 0.000 0.788 404 P CB 1.002 32.766 31.700 0.106 0.000 0.926 405 G N 0.803 109.643 108.800 0.066 0.000 4.526 405 G HA2 -0.372 3.590 3.960 0.003 0.000 0.217 405 G HA3 -0.372 3.590 3.960 0.003 0.000 0.217 405 G C 0.847 175.744 174.900 -0.006 0.000 1.428 405 G CA 0.430 45.545 45.100 0.025 0.000 0.928 405 G HN 0.576 nan 8.290 nan 0.000 0.639 406 L N 1.995 123.216 121.223 -0.003 0.000 2.083 406 L HA 0.273 4.615 4.340 0.003 0.000 0.209 406 L C 1.125 177.855 176.870 -0.234 0.000 1.083 406 L CA 2.241 57.020 54.840 -0.101 0.000 0.752 406 L CB -0.604 41.414 42.059 -0.067 0.000 0.899 406 L HN 0.614 nan 8.230 nan 0.000 0.433 407 H N -2.195 116.876 119.070 0.002 0.000 2.524 407 H HA 0.407 4.965 4.556 0.003 0.000 0.353 407 H C 0.867 176.188 175.328 -0.012 0.000 1.136 407 H CA 0.031 56.078 56.048 -0.002 0.000 1.193 407 H CB 1.609 31.380 29.762 0.014 0.000 1.558 407 H HN -0.138 nan 8.280 nan 0.000 0.515 408 S N 1.576 117.315 115.700 0.065 0.000 2.517 408 S HA 0.183 4.655 4.470 0.003 0.000 0.214 408 S C 1.513 176.120 174.600 0.012 0.000 0.991 408 S CA 0.305 58.484 58.200 -0.035 0.000 0.906 408 S CB 0.251 63.377 63.200 -0.124 0.000 0.789 408 S HN 1.087 nan 8.310 nan 0.000 0.513 409 G N 2.100 110.946 108.800 0.077 0.000 2.596 409 G HA2 -0.341 3.621 3.960 0.003 0.000 0.304 409 G HA3 -0.341 3.621 3.960 0.003 0.000 0.304 409 G C 0.342 175.263 174.900 0.035 0.000 1.189 409 G CA 0.654 45.828 45.100 0.124 0.000 0.986 409 G HN 0.420 nan 8.290 nan 0.000 0.548 410 F N 3.121 123.097 119.950 0.043 0.000 2.765 410 F HA 0.501 5.030 4.527 0.003 0.000 0.302 410 F C 2.656 178.421 175.800 -0.057 0.000 1.111 410 F CA 1.130 59.133 58.000 0.005 0.000 1.359 410 F CB -0.027 38.994 39.000 0.035 0.000 1.097 410 F HN 0.594 nan 8.300 nan 0.000 0.577 411 A N 0.334 123.156 122.820 0.004 0.000 1.917 411 A HA -0.182 4.140 4.320 0.003 0.000 0.219 411 A C 2.589 179.833 177.584 -0.567 0.000 1.182 411 A CA 2.094 53.933 52.037 -0.330 0.000 0.633 411 A CB -1.366 17.168 19.000 -0.776 0.000 0.819 411 A HN 0.408 nan 8.150 nan 0.000 0.448 412 G N -1.273 107.288 108.800 -0.398 0.000 2.464 412 G HA2 0.163 4.125 3.960 0.003 0.000 0.217 412 G HA3 0.163 4.125 3.960 0.003 0.000 0.217 412 G C 1.580 176.278 174.900 -0.336 0.000 1.138 412 G CA 1.068 45.938 45.100 -0.382 0.000 0.793 412 G HN 0.799 nan 8.290 nan 0.000 0.539 413 A N 0.341 123.017 122.820 -0.241 0.000 2.015 413 A HA -0.011 4.311 4.320 0.003 0.000 0.219 413 A C 2.176 179.721 177.584 -0.064 0.000 1.163 413 A CA 1.765 53.733 52.037 -0.116 0.000 0.646 413 A CB -0.326 18.634 19.000 -0.065 0.000 0.806 413 A HN 0.472 nan 8.150 nan 0.000 0.448 414 Q N -1.469 118.234 119.800 -0.162 0.000 2.224 414 Q HA -0.204 4.138 4.340 0.003 0.000 0.203 414 Q C 1.522 177.516 176.000 -0.009 0.000 0.970 414 Q CA 1.495 57.247 55.803 -0.085 0.000 0.865 414 Q CB -0.280 28.406 28.738 -0.087 0.000 0.922 414 Q HN 0.690 nan 8.270 nan 0.000 0.445 415 Y N 1.175 121.500 120.300 0.041 0.000 2.081 415 Y HA -0.173 4.378 4.550 0.003 0.000 0.280 415 Y C -0.464 175.447 175.900 0.019 0.000 1.163 415 Y CA 1.179 59.291 58.100 0.021 0.000 1.135 415 Y CB -2.070 36.389 38.460 -0.003 0.000 0.970 415 Y HN 0.329 nan 8.280 nan 0.000 0.498 416 P HA -0.142 nan 4.420 nan 0.000 0.219 416 P C 1.187 178.538 177.300 0.084 0.000 1.146 416 P CA 2.116 65.274 63.100 0.097 0.000 0.808 416 P CB -0.085 31.651 31.700 0.060 0.000 0.779 417 A N -0.177 122.696 122.820 0.087 0.000 1.929 417 A HA -0.061 4.261 4.320 0.003 0.000 0.216 417 A C 2.309 179.940 177.584 0.079 0.000 1.176 417 A CA 1.867 53.950 52.037 0.076 0.000 0.628 417 A CB -1.643 17.400 19.000 0.071 0.000 0.816 417 A HN 0.161 nan 8.150 nan 0.000 0.444 418 T N 0.163 114.778 114.554 0.102 0.000 2.857 418 T HA 0.083 4.435 4.350 0.003 0.000 0.266 418 T C 2.187 176.934 174.700 0.078 0.000 1.048 418 T CA 1.230 63.389 62.100 0.098 0.000 1.139 418 T CB -0.287 68.665 68.868 0.141 0.000 0.874 418 T HN 0.542 nan 8.240 nan 0.000 0.455 419 A N 1.218 124.087 122.820 0.081 0.000 1.930 419 A HA 0.080 4.402 4.320 0.003 0.000 0.217 419 A C 2.256 179.868 177.584 0.046 0.000 1.175 419 A CA 1.014 53.084 52.037 0.055 0.000 0.627 419 A CB -0.771 18.260 19.000 0.052 0.000 0.815 419 A HN 0.452 nan 8.150 nan 0.000 0.443 420 L N -0.506 120.748 121.223 0.051 0.000 2.141 420 L HA -0.144 4.198 4.340 0.003 0.000 0.209 420 L C 2.492 179.388 176.870 0.043 0.000 1.094 420 L CA 0.829 55.696 54.840 0.045 0.000 0.763 420 L CB -0.379 41.709 42.059 0.048 0.000 0.908 420 L HN 0.254 nan 8.230 nan 0.000 0.437 421 V N -0.053 119.889 119.914 0.046 0.000 2.343 421 V HA -0.296 3.826 4.120 0.003 0.000 0.247 421 V C 2.701 178.817 176.094 0.037 0.000 1.051 421 V CA 1.837 64.162 62.300 0.042 0.000 1.036 421 V CB -0.793 31.055 31.823 0.043 0.000 0.654 421 V HN 0.493 nan 8.190 nan 0.000 0.451 422 A N -0.425 122.416 122.820 0.036 0.000 1.898 422 A HA -0.251 4.071 4.320 0.003 0.000 0.216 422 A C 2.271 179.871 177.584 0.027 0.000 1.181 422 A CA 1.896 53.951 52.037 0.030 0.000 0.620 422 A CB -0.462 18.554 19.000 0.027 0.000 0.819 422 A HN 0.624 nan 8.150 nan 0.000 0.442 423 E N -0.019 120.198 120.200 0.029 0.000 2.072 423 E HA -0.211 4.141 4.350 0.003 0.000 0.191 423 E C 1.681 178.299 176.600 0.029 0.000 0.985 423 E CA 1.271 57.687 56.400 0.027 0.000 0.801 423 E CB -0.134 29.582 29.700 0.027 0.000 0.750 423 E HN 0.528 nan 8.360 nan 0.000 0.452 424 N N 0.619 119.339 118.700 0.033 0.000 2.223 424 N HA -0.137 4.605 4.740 0.003 0.000 0.185 424 N C 1.590 177.121 175.510 0.035 0.000 1.016 424 N CA 0.925 53.997 53.050 0.036 0.000 0.863 424 N CB -0.194 38.316 38.487 0.039 0.000 0.983 424 N HN 0.188 nan 8.380 nan 0.000 0.429 425 R N -0.085 120.434 120.500 0.032 0.000 2.235 425 R HA -0.006 4.336 4.340 0.003 0.000 0.213 425 R C 1.587 177.904 176.300 0.029 0.000 1.059 425 R CA 1.256 57.374 56.100 0.030 0.000 0.997 425 R CB -0.202 30.114 30.300 0.027 0.000 0.884 425 R HN 0.360 nan 8.270 nan 0.000 0.462 426 T N -1.787 112.784 114.554 0.028 0.000 3.148 426 T HA 0.164 4.516 4.350 0.003 0.000 0.253 426 T C 0.763 175.480 174.700 0.029 0.000 1.134 426 T CA 0.122 62.237 62.100 0.026 0.000 1.051 426 T CB -0.098 68.783 68.868 0.021 0.000 0.959 426 T HN -0.001 nan 8.240 nan 0.000 0.525 427 I N 2.468 123.058 120.570 0.034 0.000 2.301 427 I HA 0.475 4.647 4.170 0.003 0.000 0.292 427 I C 1.043 177.187 176.117 0.045 0.000 1.046 427 I CA -0.855 60.468 61.300 0.038 0.000 1.282 427 I CB 0.794 38.819 38.000 0.041 0.000 1.409 427 I HN 0.211 nan 8.210 nan 0.000 0.484 428 G N 6.686 115.513 108.800 0.045 0.000 2.477 428 G HA2 0.564 4.526 3.960 0.003 0.000 0.304 428 G HA3 0.564 4.526 3.960 0.003 0.000 0.304 428 G C -2.666 172.272 174.900 0.064 0.000 1.175 428 G CA -1.300 43.831 45.100 0.052 0.000 0.907 428 G HN 0.314 nan 8.290 nan 0.000 0.509 429 P HA 0.265 nan 4.420 nan 0.000 0.269 429 P C 0.308 177.661 177.300 0.087 0.000 1.209 429 P CA 0.158 63.317 63.100 0.098 0.000 0.776 429 P CB 1.421 33.194 31.700 0.123 0.000 0.876 430 A N 1.544 124.415 122.820 0.085 0.000 2.127 430 A HA 0.012 4.334 4.320 0.003 0.000 0.204 430 A C 1.802 179.433 177.584 0.078 0.000 1.243 430 A CA 0.761 52.840 52.037 0.070 0.000 0.887 430 A CB -0.989 18.043 19.000 0.053 0.000 0.933 430 A HN 0.511 nan 8.150 nan 0.000 0.479 431 S N 0.398 116.160 115.700 0.103 0.000 2.584 431 S HA -0.108 4.364 4.470 0.003 0.000 0.240 431 S C 1.324 176.016 174.600 0.153 0.000 0.975 431 S CA 1.678 59.942 58.200 0.105 0.000 0.949 431 S CB -0.917 62.391 63.200 0.180 0.000 0.761 431 S HN 0.747 nan 8.310 nan 0.000 0.536 432 T N -3.069 111.578 114.554 0.156 0.000 3.040 432 T HA 0.269 4.621 4.350 0.003 0.000 0.266 432 T C 0.903 175.662 174.700 0.099 0.000 1.005 432 T CA -0.451 61.739 62.100 0.150 0.000 0.906 432 T CB 0.078 69.040 68.868 0.157 0.000 1.082 432 T HN 0.175 nan 8.240 nan 0.000 0.531 433 Q N 2.049 121.897 119.800 0.080 0.000 2.225 433 Q HA 0.301 4.643 4.340 0.003 0.000 0.222 433 Q C 0.490 176.521 176.000 0.052 0.000 0.887 433 Q CA -0.057 55.782 55.803 0.060 0.000 0.958 433 Q CB 0.254 29.023 28.738 0.052 0.000 1.058 433 Q HN 0.537 nan 8.270 nan 0.000 0.459 434 S N 0.420 116.155 115.700 0.058 0.000 2.563 434 S HA 0.126 4.598 4.470 0.003 0.000 0.294 434 S C -0.012 174.616 174.600 0.047 0.000 1.279 434 S CA -0.194 58.038 58.200 0.054 0.000 1.069 434 S CB 0.315 63.558 63.200 0.071 0.000 0.828 434 S HN 0.106 nan 8.310 nan 0.000 0.497 435 V N 8.355 128.292 119.914 0.039 0.000 2.531 435 V HA 0.463 4.585 4.120 0.003 0.000 0.301 435 V C -1.989 174.126 176.094 0.035 0.000 1.034 435 V CA -1.714 60.606 62.300 0.034 0.000 0.865 435 V CB 1.725 33.564 31.823 0.027 0.000 0.995 435 V HN 0.857 nan 8.190 nan 0.000 0.424 436 P HA 0.234 nan 4.420 nan 0.000 0.267 436 P C -0.370 176.950 177.300 0.033 0.000 1.205 436 P CA 0.369 63.492 63.100 0.039 0.000 0.765 436 P CB 1.232 32.956 31.700 0.039 0.000 0.828 437 S N 1.577 117.297 115.700 0.034 0.000 2.851 437 S HA 0.406 4.878 4.470 0.003 0.000 0.313 437 S C -0.087 174.536 174.600 0.037 0.000 1.163 437 S CA -0.743 57.475 58.200 0.030 0.000 0.850 437 S CB 0.383 63.595 63.200 0.020 0.000 1.245 437 S HN 0.429 nan 8.310 nan 0.000 0.558 438 N N 0.472 119.194 118.700 0.037 0.000 2.667 438 N HA -0.058 4.684 4.740 0.003 0.000 0.263 438 N C 0.836 176.384 175.510 0.064 0.000 1.038 438 N CA 2.168 55.250 53.050 0.052 0.000 0.749 438 N CB -1.334 37.190 38.487 0.061 0.000 0.892 438 N HN 1.968 nan 8.380 nan 0.000 0.546 439 G N 0.961 109.796 108.800 0.057 0.000 2.889 439 G HA2 -0.344 3.618 3.960 0.003 0.000 0.308 439 G HA3 -0.344 3.618 3.960 0.003 0.000 0.308 439 G C 0.204 175.135 174.900 0.051 0.000 1.248 439 G CA 0.638 45.775 45.100 0.060 0.000 0.982 439 G HN 0.557 nan 8.290 nan 0.000 0.571 440 D N 0.248 120.682 120.400 0.056 0.000 2.583 440 D HA 0.096 4.738 4.640 0.003 0.000 0.282 440 D C 1.461 177.795 176.300 0.057 0.000 1.485 440 D CA 0.322 54.352 54.000 0.050 0.000 0.834 440 D CB 0.061 40.886 40.800 0.042 0.000 1.258 440 D HN 0.247 nan 8.370 nan 0.000 0.470 441 N N 1.089 119.828 118.700 0.065 0.000 2.084 441 N HA -0.141 4.601 4.740 0.003 0.000 0.190 441 N C 0.665 176.215 175.510 0.066 0.000 1.030 441 N CA 1.375 54.465 53.050 0.067 0.000 0.849 441 N CB 0.175 38.706 38.487 0.074 0.000 1.012 441 N HN 0.098 nan 8.380 nan 0.000 0.423 442 Q N 0.531 120.366 119.800 0.059 0.000 3.207 442 Q HA 0.045 4.387 4.340 0.003 0.000 0.335 442 Q C -0.425 175.616 176.000 0.069 0.000 1.374 442 Q CA -0.165 55.675 55.803 0.062 0.000 1.023 442 Q CB 0.402 29.158 28.738 0.029 0.000 1.576 442 Q HN 0.561 nan 8.270 nan 0.000 0.515 443 D N -0.979 119.468 120.400 0.078 0.000 2.347 443 D HA -0.044 4.598 4.640 0.003 0.000 0.215 443 D C 0.321 176.671 176.300 0.084 0.000 0.976 443 D CA 0.319 54.361 54.000 0.070 0.000 0.884 443 D CB 0.394 41.230 40.800 0.059 0.000 0.915 443 D HN 0.042 nan 8.370 nan 0.000 0.526 444 V N 1.301 121.288 119.914 0.122 0.000 2.532 444 V HA 0.343 4.465 4.120 0.003 0.000 0.294 444 V C -0.151 176.108 176.094 0.276 0.000 1.036 444 V CA -0.961 61.434 62.300 0.158 0.000 0.876 444 V CB 1.948 33.851 31.823 0.133 0.000 1.012 444 V HN 0.165 nan 8.190 nan 0.000 0.432 445 V N 2.216 122.229 119.914 0.164 0.000 3.204 445 V HA 0.803 4.925 4.120 0.003 0.000 0.316 445 V C 0.903 177.039 176.094 0.070 0.000 1.160 445 V CA 0.264 62.581 62.300 0.028 0.000 1.044 445 V CB 1.970 33.770 31.823 -0.038 0.000 1.136 445 V HN 0.784 nan 8.190 nan 0.000 0.455 446 S N -0.752 114.915 115.700 -0.054 0.000 2.506 446 S HA 0.133 4.605 4.470 0.003 0.000 0.219 446 S C 1.110 175.695 174.600 -0.025 0.000 1.031 446 S CA 0.596 58.792 58.200 -0.008 0.000 0.911 446 S CB -0.190 62.992 63.200 -0.031 0.000 0.812 446 S HN 1.048 nan 8.310 nan 0.000 0.497 447 M N 0.768 120.353 119.600 -0.025 0.000 2.682 447 M HA -0.160 4.322 4.480 0.003 0.000 0.196 447 M C 1.122 177.422 176.300 0.000 0.000 0.542 447 M CA 0.820 56.119 55.300 -0.003 0.000 0.593 447 M CB -2.590 30.020 32.600 0.017 0.000 2.183 447 M HN 0.571 nan 8.290 nan 0.000 0.663 448 G N 0.131 108.920 108.800 -0.018 0.000 2.475 448 G HA2 -0.130 3.832 3.960 0.003 0.000 0.220 448 G HA3 -0.130 3.832 3.960 0.003 0.000 0.220 448 G C 1.292 176.200 174.900 0.013 0.000 1.125 448 G CA 1.120 46.211 45.100 -0.014 0.000 0.755 448 G HN 0.475 nan 8.290 nan 0.000 0.565 449 L N 0.628 121.868 121.223 0.029 0.000 2.217 449 L HA 0.219 4.561 4.340 0.003 0.000 0.211 449 L C 2.555 179.472 176.870 0.079 0.000 1.107 449 L CA 0.946 55.825 54.840 0.066 0.000 0.783 449 L CB -0.264 41.852 42.059 0.096 0.000 0.919 449 L HN 0.271 nan 8.230 nan 0.000 0.442 450 I N -1.570 119.033 120.570 0.055 0.000 2.353 450 I HA -0.236 3.936 4.170 0.003 0.000 0.248 450 I C 2.277 178.425 176.117 0.052 0.000 1.119 450 I CA 1.008 62.339 61.300 0.050 0.000 1.417 450 I CB -0.376 37.646 38.000 0.037 0.000 1.078 450 I HN 0.161 nan 8.210 nan 0.000 0.421 451 S N 1.085 116.811 115.700 0.044 0.000 2.356 451 S HA -0.174 4.298 4.470 0.003 0.000 0.223 451 S C 2.310 176.939 174.600 0.049 0.000 1.032 451 S CA 1.400 59.626 58.200 0.043 0.000 1.005 451 S CB -0.408 62.807 63.200 0.024 0.000 0.867 451 S HN 0.538 nan 8.310 nan 0.000 0.449 452 A N 2.176 125.026 122.820 0.050 0.000 1.883 452 A HA -0.131 4.191 4.320 0.003 0.000 0.217 452 A C 2.156 179.787 177.584 0.078 0.000 1.186 452 A CA 1.307 53.378 52.037 0.057 0.000 0.624 452 A CB -0.507 18.522 19.000 0.048 0.000 0.822 452 A HN 0.411 nan 8.150 nan 0.000 0.444 453 R N -0.517 120.042 120.500 0.098 0.000 2.120 453 R HA -0.099 4.243 4.340 0.003 0.000 0.234 453 R C 1.723 178.067 176.300 0.073 0.000 1.123 453 R CA 1.246 57.409 56.100 0.105 0.000 0.975 453 R CB -0.398 29.965 30.300 0.104 0.000 0.866 453 R HN 0.500 nan 8.270 nan 0.000 0.446 454 N N 1.084 119.822 118.700 0.063 0.000 2.106 454 N HA -0.112 4.630 4.740 0.003 0.000 0.188 454 N C 1.718 177.264 175.510 0.059 0.000 1.029 454 N CA 1.578 54.661 53.050 0.056 0.000 0.848 454 N CB -0.372 38.149 38.487 0.056 0.000 1.007 454 N HN 0.188 nan 8.380 nan 0.000 0.423 455 A N 1.268 124.126 122.820 0.063 0.000 1.902 455 A HA -0.155 4.167 4.320 0.003 0.000 0.217 455 A C 2.245 179.866 177.584 0.063 0.000 1.181 455 A CA 1.425 53.501 52.037 0.065 0.000 0.623 455 A CB -0.546 18.494 19.000 0.067 0.000 0.818 455 A HN 0.277 nan 8.150 nan 0.000 0.443 456 R N -0.379 120.161 120.500 0.066 0.000 2.083 456 R HA -0.192 4.150 4.340 0.003 0.000 0.237 456 R C 2.464 178.800 176.300 0.060 0.000 1.137 456 R CA 1.843 57.983 56.100 0.067 0.000 0.951 456 R CB -0.330 30.020 30.300 0.084 0.000 0.851 456 R HN 0.585 nan 8.270 nan 0.000 0.434 457 R N 0.108 120.642 120.500 0.056 0.000 2.070 457 R HA -0.107 4.235 4.340 0.003 0.000 0.233 457 R C 2.102 178.431 176.300 0.047 0.000 1.137 457 R CA 1.886 58.015 56.100 0.047 0.000 0.945 457 R CB -0.322 30.003 30.300 0.042 0.000 0.845 457 R HN 0.163 nan 8.270 nan 0.000 0.430 458 V N 1.674 121.617 119.914 0.049 0.000 2.490 458 V HA -0.235 3.887 4.120 0.003 0.000 0.250 458 V C 2.286 178.410 176.094 0.051 0.000 1.061 458 V CA 1.547 63.876 62.300 0.049 0.000 1.064 458 V CB -0.515 31.338 31.823 0.051 0.000 0.670 458 V HN 0.385 nan 8.190 nan 0.000 0.461 459 L N -0.018 121.237 121.223 0.053 0.000 2.056 459 L HA -0.095 4.247 4.340 0.003 0.000 0.207 459 L C 2.576 179.478 176.870 0.052 0.000 1.078 459 L CA 2.430 57.302 54.840 0.054 0.000 0.749 459 L CB -0.774 41.319 42.059 0.056 0.000 0.901 459 L HN 0.284 nan 8.230 nan 0.000 0.433 460 S N -0.346 115.384 115.700 0.050 0.000 2.368 460 S HA -0.165 4.307 4.470 0.003 0.000 0.224 460 S C 1.838 176.466 174.600 0.046 0.000 1.029 460 S CA 1.456 59.684 58.200 0.047 0.000 0.988 460 S CB -0.447 62.780 63.200 0.044 0.000 0.838 460 S HN 0.643 nan 8.310 nan 0.000 0.462 461 N N 2.284 121.011 118.700 0.045 0.000 2.223 461 N HA -0.008 4.734 4.740 0.003 0.000 0.185 461 N C 1.351 176.891 175.510 0.050 0.000 1.016 461 N CA 0.885 53.962 53.050 0.045 0.000 0.863 461 N CB -0.851 37.661 38.487 0.043 0.000 0.983 461 N HN 0.419 nan 8.380 nan 0.000 0.429 462 N N 1.248 119.980 118.700 0.053 0.000 2.309 462 N HA -0.050 4.692 4.740 0.003 0.000 0.182 462 N C 1.140 176.689 175.510 0.065 0.000 1.018 462 N CA 0.517 53.602 53.050 0.058 0.000 0.876 462 N CB -0.323 38.198 38.487 0.057 0.000 0.972 462 N HN 0.272 nan 8.380 nan 0.000 0.434 463 N N 0.872 119.609 118.700 0.061 0.000 2.188 463 N HA -0.075 4.667 4.740 0.003 0.000 0.184 463 N C 1.515 177.062 175.510 0.063 0.000 1.018 463 N CA 0.860 53.946 53.050 0.061 0.000 0.858 463 N CB -0.022 38.496 38.487 0.052 0.000 0.989 463 N HN 0.260 nan 8.380 nan 0.000 0.426 464 K N 0.737 121.172 120.400 0.058 0.000 2.025 464 K HA 0.101 4.423 4.320 0.003 0.000 0.207 464 K C 2.067 178.709 176.600 0.070 0.000 1.049 464 K CA 0.572 56.895 56.287 0.059 0.000 0.933 464 K CB -0.112 32.418 32.500 0.050 0.000 0.714 464 K HN 0.107 nan 8.250 nan 0.000 0.438 465 I N 0.723 121.334 120.570 0.068 0.000 2.127 465 I HA -0.315 3.857 4.170 0.003 0.000 0.241 465 I C 2.033 178.201 176.117 0.086 0.000 1.075 465 I CA 1.314 62.656 61.300 0.071 0.000 1.334 465 I CB -0.303 37.734 38.000 0.062 0.000 1.040 465 I HN 0.103 nan 8.210 nan 0.000 0.405 466 L N 0.470 121.753 121.223 0.100 0.000 2.079 466 L HA -0.242 4.100 4.340 0.003 0.000 0.210 466 L C 2.850 179.849 176.870 0.216 0.000 1.081 466 L CA 1.326 56.260 54.840 0.158 0.000 0.752 466 L CB -0.760 41.406 42.059 0.179 0.000 0.896 466 L HN 0.282 nan 8.230 nan 0.000 0.433 467 A N -0.228 122.672 122.820 0.134 0.000 1.883 467 A HA -0.172 4.150 4.320 0.003 0.000 0.217 467 A C 2.316 179.995 177.584 0.158 0.000 1.186 467 A CA 1.977 54.086 52.037 0.120 0.000 0.624 467 A CB -0.876 18.174 19.000 0.084 0.000 0.822 467 A HN 0.206 nan 8.150 nan 0.000 0.444 468 V N -0.051 119.945 119.914 0.137 0.000 2.407 468 V HA -0.271 3.851 4.120 0.003 0.000 0.248 468 V C 2.490 178.663 176.094 0.131 0.000 1.055 468 V CA 2.303 64.698 62.300 0.159 0.000 1.049 468 V CB -0.746 31.154 31.823 0.128 0.000 0.662 468 V HN 0.736 nan 8.190 nan 0.000 0.455 469 E N -0.787 119.464 120.200 0.084 0.000 2.072 469 E HA -0.226 4.126 4.350 0.003 0.000 0.191 469 E C 2.195 178.762 176.600 -0.055 0.000 0.985 469 E CA 1.418 57.812 56.400 -0.010 0.000 0.801 469 E CB -0.186 29.487 29.700 -0.046 0.000 0.750 469 E HN 0.693 nan 8.360 nan 0.000 0.452 470 Y N 0.607 120.847 120.300 -0.100 0.000 2.207 470 Y HA -0.198 4.353 4.550 0.003 0.000 0.287 470 Y C 2.154 178.013 175.900 -0.069 0.000 1.156 470 Y CA 1.177 59.184 58.100 -0.156 0.000 1.182 470 Y CB -0.024 38.254 38.460 -0.302 0.000 0.979 470 Y HN 0.097 nan 8.280 nan 0.000 0.521 471 L N -1.536 119.784 121.223 0.162 0.000 2.072 471 L HA -0.167 4.175 4.340 0.003 0.000 0.205 471 L C 2.652 179.482 176.870 -0.068 0.000 1.079 471 L CA 0.911 55.860 54.840 0.183 0.000 0.752 471 L CB -0.769 41.520 42.059 0.384 0.000 0.906 471 L HN 0.192 nan 8.230 nan 0.000 0.436 472 A N 0.172 122.826 122.820 -0.277 0.000 1.902 472 A HA -0.202 4.120 4.320 0.003 0.000 0.217 472 A C 2.524 179.891 177.584 -0.362 0.000 1.181 472 A CA 1.811 53.448 52.037 -0.668 0.000 0.623 472 A CB -0.738 17.999 19.000 -0.439 0.000 0.818 472 A HN 0.402 nan 8.150 nan 0.000 0.443 473 A N -0.025 122.677 122.820 -0.197 0.000 1.865 473 A HA 0.087 4.409 4.320 0.003 0.000 0.217 473 A C 2.567 180.135 177.584 -0.027 0.000 1.191 473 A CA 2.528 54.492 52.037 -0.123 0.000 0.623 473 A CB -1.255 17.657 19.000 -0.146 0.000 0.826 473 A HN 1.177 nan 8.150 nan 0.000 0.444 474 A N -1.039 121.814 122.820 0.055 0.000 1.908 474 A HA -0.244 4.078 4.320 0.003 0.000 0.218 474 A C 2.168 179.863 177.584 0.186 0.000 1.181 474 A CA 2.357 54.540 52.037 0.244 0.000 0.627 474 A CB -0.589 18.527 19.000 0.194 0.000 0.818 474 A HN 0.596 nan 8.150 nan 0.000 0.445 475 Q N -0.013 119.802 119.800 0.026 0.000 2.084 475 Q HA -0.049 4.293 4.340 0.003 0.000 0.202 475 Q C 1.982 177.965 176.000 -0.029 0.000 0.978 475 Q CA 2.354 58.154 55.803 -0.006 0.000 0.844 475 Q CB -0.656 27.947 28.738 -0.224 0.000 0.898 475 Q HN 0.549 nan 8.270 nan 0.000 0.426 476 A N -0.615 122.150 122.820 -0.092 0.000 2.015 476 A HA -0.064 4.258 4.320 0.003 0.000 0.219 476 A C 2.237 179.806 177.584 -0.025 0.000 1.163 476 A CA 1.325 53.321 52.037 -0.070 0.000 0.646 476 A CB -0.645 18.297 19.000 -0.097 0.000 0.806 476 A HN 0.269 nan 8.150 nan 0.000 0.448 477 V N 1.819 121.735 119.914 0.003 0.000 2.223 477 V HA -0.247 3.875 4.120 0.003 0.000 0.244 477 V C 2.057 178.142 176.094 -0.015 0.000 1.045 477 V CA 2.374 64.665 62.300 -0.015 0.000 1.000 477 V CB -0.904 30.897 31.823 -0.035 0.000 0.635 477 V HN 0.871 nan 8.190 nan 0.000 0.445 478 D N -1.050 119.365 120.400 0.025 0.000 2.352 478 D HA -0.051 4.591 4.640 0.003 0.000 0.232 478 D C 1.413 177.731 176.300 0.030 0.000 1.055 478 D CA 0.617 54.633 54.000 0.026 0.000 0.891 478 D CB -0.277 40.568 40.800 0.075 0.000 0.897 478 D HN 0.479 nan 8.370 nan 0.000 0.529 479 I N -0.025 120.557 120.570 0.021 0.000 3.708 479 I HA -0.051 4.121 4.170 0.003 0.000 0.302 479 I C 1.364 177.484 176.117 0.005 0.000 1.255 479 I CA 0.443 61.753 61.300 0.016 0.000 1.362 479 I CB 0.317 38.325 38.000 0.013 0.000 1.100 479 I HN 0.091 nan 8.210 nan 0.000 0.434 480 S N -0.498 115.201 115.700 -0.001 0.000 2.511 480 S HA 0.201 4.673 4.470 0.003 0.000 0.214 480 S C 1.520 176.120 174.600 -0.001 0.000 0.997 480 S CA 0.412 58.610 58.200 -0.004 0.000 0.908 480 S CB 0.651 63.845 63.200 -0.011 0.000 0.803 480 S HN 0.462 nan 8.310 nan 0.000 0.504 481 G N 2.050 110.852 108.800 0.003 0.000 2.221 481 G HA2 -0.283 3.679 3.960 0.003 0.000 0.265 481 G HA3 -0.283 3.679 3.960 0.003 0.000 0.265 481 G C 0.374 175.280 174.900 0.010 0.000 1.041 481 G CA 0.228 45.335 45.100 0.011 0.000 0.807 481 G HN 0.567 nan 8.290 nan 0.000 0.502 482 R N -1.014 119.481 120.500 -0.007 0.000 2.586 482 R HA 0.341 4.683 4.340 0.003 0.000 0.306 482 R C 1.711 177.974 176.300 -0.062 0.000 1.079 482 R CA -0.260 55.820 56.100 -0.033 0.000 1.083 482 R CB -0.133 30.139 30.300 -0.047 0.000 1.306 482 R HN 0.392 nan 8.270 nan 0.000 0.567 483 F N 1.777 121.621 119.950 -0.177 0.000 2.102 483 F HA -0.189 4.340 4.527 0.003 0.000 0.298 483 F C 1.388 177.098 175.800 -0.150 0.000 1.105 483 F CA 1.670 59.520 58.000 -0.249 0.000 1.239 483 F CB 0.197 39.009 39.000 -0.314 0.000 0.991 483 F HN 0.018 nan 8.300 nan 0.000 0.474 484 D N -0.136 120.149 120.400 -0.192 0.000 2.378 484 D HA -0.039 4.603 4.640 0.003 0.000 0.222 484 D C 2.218 178.378 176.300 -0.232 0.000 0.980 484 D CA 1.119 54.978 54.000 -0.235 0.000 0.907 484 D CB -0.537 40.242 40.800 -0.036 0.000 0.899 484 D HN 0.492 nan 8.370 nan 0.000 0.527 485 G N -0.237 108.436 108.800 -0.213 0.000 2.796 485 G HA2 0.105 4.067 3.960 0.003 0.000 0.210 485 G HA3 0.105 4.067 3.960 0.003 0.000 0.210 485 G C 0.788 175.574 174.900 -0.189 0.000 1.146 485 G CA -0.304 44.700 45.100 -0.159 0.000 0.779 485 G HN 0.167 nan 8.290 nan 0.000 0.535 486 L N 2.447 123.505 121.223 -0.275 0.000 2.506 486 L HA 0.174 4.516 4.340 0.003 0.000 0.281 486 L C 1.377 178.123 176.870 -0.207 0.000 1.228 486 L CA -0.428 54.266 54.840 -0.243 0.000 0.850 486 L CB 0.673 42.545 42.059 -0.311 0.000 1.110 486 L HN 0.254 nan 8.230 nan 0.000 0.496 487 S N 2.152 117.771 115.700 -0.136 0.000 2.617 487 S HA 0.219 4.691 4.470 0.003 0.000 0.259 487 S C -1.832 172.714 174.600 -0.090 0.000 1.301 487 S CA -1.096 57.043 58.200 -0.101 0.000 0.984 487 S CB 0.789 63.943 63.200 -0.076 0.000 0.954 487 S HN 0.421 nan 8.310 nan 0.000 0.572 488 P HA -0.054 nan 4.420 nan 0.000 0.215 488 P C 1.552 178.851 177.300 -0.002 0.000 1.153 488 P CA 2.038 65.119 63.100 -0.031 0.000 0.853 488 P CB -0.271 31.418 31.700 -0.018 0.000 0.788 489 A N -0.318 122.499 122.820 -0.004 0.000 1.930 489 A HA -0.041 4.281 4.320 0.003 0.000 0.217 489 A C 2.288 179.895 177.584 0.038 0.000 1.175 489 A CA 1.830 53.880 52.037 0.022 0.000 0.627 489 A CB -1.540 17.463 19.000 0.005 0.000 0.815 489 A HN 0.178 nan 8.150 nan 0.000 0.443 490 A N 0.169 122.990 122.820 0.001 0.000 1.877 490 A HA -0.171 4.151 4.320 0.003 0.000 0.216 490 A C 2.104 179.736 177.584 0.080 0.000 1.186 490 A CA 1.798 53.841 52.037 0.009 0.000 0.620 490 A CB -0.440 18.526 19.000 -0.056 0.000 0.822 490 A HN 0.529 nan 8.150 nan 0.000 0.443 491 K N -0.290 120.130 120.400 0.034 0.000 2.148 491 K HA -0.019 4.303 4.320 0.003 0.000 0.204 491 K C 2.295 179.056 176.600 0.268 0.000 1.050 491 K CA 0.944 57.317 56.287 0.143 0.000 0.942 491 K CB -0.313 32.181 32.500 -0.011 0.000 0.724 491 K HN 0.449 nan 8.250 nan 0.000 0.446 492 A N 1.273 124.196 122.820 0.172 0.000 1.858 492 A HA -0.171 4.151 4.320 0.003 0.000 0.216 492 A C 2.262 179.984 177.584 0.231 0.000 1.190 492 A CA 2.162 54.303 52.037 0.174 0.000 0.617 492 A CB -1.085 17.989 19.000 0.123 0.000 0.827 492 A HN 0.260 nan 8.150 nan 0.000 0.443 493 T N -1.421 113.283 114.554 0.251 0.000 2.684 493 T HA -0.204 4.148 4.350 0.003 0.000 0.267 493 T C 1.816 176.728 174.700 0.354 0.000 1.036 493 T CA 1.711 64.013 62.100 0.336 0.000 1.148 493 T CB -0.516 68.495 68.868 0.238 0.000 0.863 493 T HN 0.563 nan 8.240 nan 0.000 0.436 494 Y N 2.476 122.903 120.300 0.213 0.000 2.128 494 Y HA -0.179 4.373 4.550 0.003 0.000 0.284 494 Y C 2.421 178.447 175.900 0.210 0.000 1.154 494 Y CA 1.460 59.691 58.100 0.217 0.000 1.149 494 Y CB -0.278 38.345 38.460 0.272 0.000 0.976 494 Y HN 0.144 nan 8.280 nan 0.000 0.505 495 E N 0.433 120.737 120.200 0.174 0.000 2.058 495 E HA -0.245 4.107 4.350 0.003 0.000 0.194 495 E C 2.445 179.037 176.600 -0.013 0.000 0.997 495 E CA 1.227 57.646 56.400 0.032 0.000 0.801 495 E CB -0.782 29.006 29.700 0.146 0.000 0.746 495 E HN 0.592 nan 8.360 nan 0.000 0.450 496 A N 1.234 124.112 122.820 0.097 0.000 1.978 496 A HA -0.131 4.191 4.320 0.003 0.000 0.220 496 A C 2.582 180.244 177.584 0.130 0.000 1.170 496 A CA 1.385 53.470 52.037 0.079 0.000 0.636 496 A CB -0.498 18.570 19.000 0.114 0.000 0.810 496 A HN 0.132 nan 8.150 nan 0.000 0.448 497 V N -0.372 119.664 119.914 0.203 0.000 2.407 497 V HA -0.123 3.999 4.120 0.003 0.000 0.245 497 V C 2.578 178.670 176.094 -0.003 0.000 1.041 497 V CA 1.559 63.966 62.300 0.179 0.000 1.040 497 V CB -0.678 31.241 31.823 0.159 0.000 0.671 497 V HN 0.430 nan 8.190 nan 0.000 0.455 498 R N 0.120 120.514 120.500 -0.177 0.000 2.148 498 R HA -0.032 4.310 4.340 0.003 0.000 0.227 498 R C 2.283 178.523 176.300 -0.100 0.000 1.103 498 R CA 0.786 56.769 56.100 -0.194 0.000 0.983 498 R CB -0.607 29.455 30.300 -0.397 0.000 0.874 498 R HN 0.417 nan 8.270 nan 0.000 0.451 499 R N 0.661 121.113 120.500 -0.080 0.000 2.241 499 R HA -0.036 4.306 4.340 0.003 0.000 0.224 499 R C 1.654 177.931 176.300 -0.039 0.000 1.101 499 R CA 0.915 56.983 56.100 -0.054 0.000 0.995 499 R CB 0.108 30.376 30.300 -0.053 0.000 0.870 499 R HN 0.166 nan 8.270 nan 0.000 0.463 500 L N -1.265 119.944 121.223 -0.024 0.000 2.433 500 L HA 0.222 4.564 4.340 0.003 0.000 0.200 500 L C 0.001 176.877 176.870 0.011 0.000 1.059 500 L CA 0.044 54.881 54.840 -0.005 0.000 0.835 500 L CB 0.736 42.803 42.059 0.014 0.000 1.076 500 L HN -0.183 nan 8.230 nan 0.000 0.481 501 V N 1.374 121.300 119.914 0.019 0.000 2.577 501 V HA 0.381 4.503 4.120 0.003 0.000 0.303 501 V C -2.301 173.804 176.094 0.018 0.000 1.042 501 V CA -1.460 60.859 62.300 0.032 0.000 0.872 501 V CB 2.043 33.907 31.823 0.068 0.000 0.998 501 V HN -0.043 nan 8.190 nan 0.000 0.423 502 P HA 0.193 nan 4.420 nan 0.000 0.275 502 P C 0.080 177.410 177.300 0.050 0.000 1.266 502 P CA -0.090 63.019 63.100 0.015 0.000 0.793 502 P CB 0.522 32.230 31.700 0.013 0.000 1.074 503 T N 0.674 115.262 114.554 0.058 0.000 2.855 503 T HA 0.060 4.412 4.350 0.003 0.000 0.322 503 T C 0.276 175.034 174.700 0.096 0.000 1.088 503 T CA 0.272 62.432 62.100 0.099 0.000 1.104 503 T CB -0.189 68.733 68.868 0.090 0.000 0.996 503 T HN 0.253 nan 8.240 nan 0.000 0.549 504 L N 2.929 124.235 121.223 0.139 0.000 2.272 504 L HA 0.526 4.868 4.340 0.003 0.000 0.284 504 L C 0.791 177.695 176.870 0.057 0.000 1.045 504 L CA 0.109 55.010 54.840 0.102 0.000 0.842 504 L CB -0.001 42.155 42.059 0.163 0.000 1.224 504 L HN 0.744 nan 8.230 nan 0.000 0.430 505 G N 3.923 112.730 108.800 0.012 0.000 2.620 505 G HA2 0.186 4.148 3.960 0.003 0.000 0.200 505 G HA3 0.186 4.148 3.960 0.003 0.000 0.200 505 G C 0.331 175.168 174.900 -0.105 0.000 1.710 505 G CA 0.410 45.490 45.100 -0.034 0.000 0.919 505 G HN 0.645 nan 8.290 nan 0.000 0.455 506 V N 0.324 120.169 119.914 -0.115 0.000 3.185 506 V HA 0.417 4.539 4.120 0.003 0.000 0.305 506 V C -0.157 175.942 176.094 0.008 0.000 1.090 506 V CA -0.595 61.608 62.300 -0.162 0.000 1.107 506 V CB 0.955 32.804 31.823 0.045 0.000 1.061 506 V HN 0.641 nan 8.190 nan 0.000 0.480 507 D N 1.814 122.323 120.400 0.182 0.000 2.329 507 D HA 0.591 5.233 4.640 0.003 0.000 0.246 507 D C 0.038 176.375 176.300 0.062 0.000 1.111 507 D CA -0.596 53.459 54.000 0.091 0.000 0.941 507 D CB 0.832 41.691 40.800 0.098 0.000 1.169 507 D HN 1.022 nan 8.370 nan 0.000 0.441 508 R N -0.067 120.438 120.500 0.007 0.000 2.747 508 R HA 0.237 4.579 4.340 0.003 0.000 0.272 508 R C -1.236 175.087 176.300 0.039 0.000 1.032 508 R CA -1.069 55.054 56.100 0.039 0.000 0.896 508 R CB -0.046 30.283 30.300 0.047 0.000 1.253 508 R HN 0.455 nan 8.270 nan 0.000 0.461 509 Y N 2.603 122.878 120.300 -0.041 0.000 2.846 509 Y HA -0.101 4.451 4.550 0.004 0.000 0.352 509 Y C 1.176 177.040 175.900 -0.059 0.000 1.298 509 Y CA 0.665 58.739 58.100 -0.042 0.000 1.634 509 Y CB 0.528 38.972 38.460 -0.026 0.000 1.214 509 Y HN 0.512 nan 8.280 nan 0.000 0.529 510 M N 4.726 124.155 119.600 -0.284 0.000 2.287 510 M HA -0.034 4.448 4.480 0.003 0.000 0.266 510 M C 2.343 178.524 176.300 -0.198 0.000 1.079 510 M CA 1.219 56.383 55.300 -0.228 0.000 1.146 510 M CB -1.591 30.849 32.600 -0.267 0.000 1.374 510 M HN 0.820 nan 8.290 nan 0.000 0.435 511 A N 1.594 124.175 122.820 -0.398 0.000 1.882 511 A HA -0.270 4.052 4.320 0.003 0.000 0.220 511 A C 1.886 179.486 177.584 0.028 0.000 1.253 511 A CA 2.555 54.471 52.037 -0.201 0.000 0.664 511 A CB -1.164 17.657 19.000 -0.297 0.000 0.838 511 A HN 0.461 nan 8.150 nan 0.000 0.460 512 D N -0.115 120.407 120.400 0.204 0.000 2.158 512 D HA -0.146 4.496 4.640 0.003 0.000 0.197 512 D C 1.429 177.784 176.300 0.092 0.000 0.995 512 D CA 1.600 55.701 54.000 0.169 0.000 0.846 512 D CB -0.499 40.413 40.800 0.187 0.000 0.941 512 D HN 0.485 nan 8.370 nan 0.000 0.456 513 D N 0.267 120.711 120.400 0.075 0.000 2.144 513 D HA -0.053 4.589 4.640 0.003 0.000 0.200 513 D C 2.347 178.682 176.300 0.058 0.000 0.978 513 D CA 0.324 54.358 54.000 0.056 0.000 0.833 513 D CB -0.164 40.660 40.800 0.039 0.000 0.961 513 D HN 0.313 nan 8.370 nan 0.000 0.470 514 I N 0.583 121.176 120.570 0.039 0.000 2.202 514 I HA -0.201 3.971 4.170 0.003 0.000 0.242 514 I C 2.303 178.451 176.117 0.052 0.000 1.091 514 I CA 0.882 62.212 61.300 0.049 0.000 1.368 514 I CB -0.089 37.926 38.000 0.025 0.000 1.058 514 I HN -0.138 nan 8.210 nan 0.000 0.410 515 E N 1.064 121.291 120.200 0.045 0.000 2.204 515 E HA -0.202 4.150 4.350 0.003 0.000 0.194 515 E C 1.913 178.539 176.600 0.044 0.000 0.989 515 E CA 0.899 57.326 56.400 0.044 0.000 0.824 515 E CB -0.145 29.582 29.700 0.045 0.000 0.756 515 E HN 0.262 nan 8.360 nan 0.000 0.477 516 L N -0.614 120.638 121.223 0.048 0.000 2.027 516 L HA -0.092 4.250 4.340 0.003 0.000 0.206 516 L C 2.081 178.979 176.870 0.047 0.000 1.074 516 L CA 1.370 56.234 54.840 0.040 0.000 0.745 516 L CB -0.487 41.597 42.059 0.042 0.000 0.898 516 L HN 0.055 nan 8.230 nan 0.000 0.433 517 V N -0.227 119.730 119.914 0.072 0.000 2.667 517 V HA -0.160 3.962 4.120 0.003 0.000 0.252 517 V C 2.671 178.814 176.094 0.082 0.000 1.065 517 V CA 1.207 63.570 62.300 0.106 0.000 1.083 517 V CB -1.186 30.709 31.823 0.120 0.000 0.692 517 V HN 0.552 nan 8.190 nan 0.000 0.468 518 A N 0.218 123.074 122.820 0.059 0.000 1.873 518 A HA -0.203 4.119 4.320 0.003 0.000 0.215 518 A C 2.013 179.621 177.584 0.040 0.000 1.186 518 A CA 1.852 53.918 52.037 0.049 0.000 0.616 518 A CB -0.543 18.485 19.000 0.047 0.000 0.823 518 A HN 0.504 nan 8.150 nan 0.000 0.442 519 D N 0.292 120.710 120.400 0.031 0.000 2.117 519 D HA -0.060 4.582 4.640 0.003 0.000 0.197 519 D C 2.225 178.526 176.300 0.001 0.000 0.987 519 D CA 1.518 55.528 54.000 0.016 0.000 0.829 519 D CB -0.525 40.281 40.800 0.010 0.000 0.961 519 D HN 0.414 nan 8.370 nan 0.000 0.460 520 A N 0.838 123.653 122.820 -0.009 0.000 1.908 520 A HA -0.149 4.173 4.320 0.003 0.000 0.218 520 A C 2.404 179.966 177.584 -0.037 0.000 1.181 520 A CA 0.997 52.991 52.037 -0.072 0.000 0.627 520 A CB -0.870 18.049 19.000 -0.134 0.000 0.818 520 A HN 0.203 nan 8.150 nan 0.000 0.445 521 L N 0.335 121.598 121.223 0.065 0.000 2.046 521 L HA -0.189 4.153 4.340 0.003 0.000 0.208 521 L C 2.923 179.826 176.870 0.056 0.000 1.077 521 L CA 1.666 56.565 54.840 0.097 0.000 0.747 521 L CB -0.350 41.738 42.059 0.047 0.000 0.896 521 L HN 0.618 nan 8.230 nan 0.000 0.432 522 S N -0.724 114.998 115.700 0.036 0.000 2.555 522 S HA -0.088 4.384 4.470 0.003 0.000 0.230 522 S C 1.849 176.460 174.600 0.019 0.000 0.978 522 S CA 0.417 58.636 58.200 0.032 0.000 0.934 522 S CB -0.204 63.014 63.200 0.030 0.000 0.766 522 S HN 0.403 nan 8.310 nan 0.000 0.533 523 R N 0.144 120.644 120.500 -0.000 0.000 2.334 523 R HA 0.262 4.604 4.340 0.003 0.000 0.212 523 R C 1.350 177.638 176.300 -0.021 0.000 0.897 523 R CA 0.413 56.502 56.100 -0.017 0.000 1.056 523 R CB 0.037 30.311 30.300 -0.044 0.000 1.046 523 R HN 0.546 nan 8.270 nan 0.000 0.513 524 G N 1.792 110.591 108.800 -0.003 0.000 2.176 524 G HA2 -0.266 3.696 3.960 0.003 0.000 0.252 524 G HA3 -0.266 3.696 3.960 0.003 0.000 0.252 524 G C 0.657 175.528 174.900 -0.049 0.000 1.024 524 G CA 0.325 45.433 45.100 0.014 0.000 0.755 524 G HN 0.245 nan 8.290 nan 0.000 0.507 525 E N -0.847 119.251 120.200 -0.168 0.000 2.130 525 E HA -0.075 4.277 4.350 0.003 0.000 0.196 525 E C 1.134 177.467 176.600 -0.445 0.000 0.998 525 E CA 0.883 57.062 56.400 -0.369 0.000 0.806 525 E CB -0.096 29.248 29.700 -0.593 0.000 0.738 525 E HN 0.632 nan 8.360 nan 0.000 0.459 526 F N -0.553 119.366 119.950 -0.053 0.000 2.380 526 F HA 0.189 4.718 4.527 0.004 0.000 0.321 526 F C 1.588 177.406 175.800 0.030 0.000 1.103 526 F CA -0.289 57.712 58.000 0.002 0.000 1.067 526 F CB 0.592 39.586 39.000 -0.010 0.000 1.265 526 F HN -0.140 nan 8.300 nan 0.000 0.517 527 L N -0.369 120.995 121.223 0.234 0.000 5.134 527 L HA -0.348 3.994 4.340 0.003 0.000 0.407 527 L C 1.330 178.247 176.870 0.079 0.000 0.869 527 L CA 2.423 57.348 54.840 0.141 0.000 1.827 527 L CB -1.079 41.058 42.059 0.130 0.000 1.501 527 L HN 0.803 nan 8.230 nan 0.000 0.610 528 R N -0.415 120.114 120.500 0.048 0.000 2.146 528 R HA 0.457 4.799 4.340 0.003 0.000 0.206 528 R C 2.151 178.456 176.300 0.008 0.000 1.049 528 R CA 1.043 57.148 56.100 0.008 0.000 1.029 528 R CB -0.176 30.103 30.300 -0.034 0.000 0.949 528 R HN 0.555 nan 8.270 nan 0.000 0.471 529 A N 1.262 124.090 122.820 0.012 0.000 1.969 529 A HA -0.050 4.272 4.320 0.003 0.000 0.218 529 A C 1.891 179.513 177.584 0.064 0.000 1.169 529 A CA 0.872 52.926 52.037 0.028 0.000 0.635 529 A CB -0.270 18.755 19.000 0.042 0.000 0.810 529 A HN 0.244 nan 8.150 nan 0.000 0.445 530 I N -0.075 120.547 120.570 0.087 0.000 2.353 530 I HA -0.172 4.000 4.170 0.003 0.000 0.248 530 I C 2.862 179.009 176.117 0.050 0.000 1.119 530 I CA 1.357 62.703 61.300 0.077 0.000 1.417 530 I CB -1.590 36.462 38.000 0.086 0.000 1.078 530 I HN 0.350 nan 8.210 nan 0.000 0.421 531 A N 0.815 123.661 122.820 0.043 0.000 1.898 531 A HA -0.200 4.122 4.320 0.003 0.000 0.216 531 A C 2.538 180.135 177.584 0.023 0.000 1.181 531 A CA 1.456 53.511 52.037 0.030 0.000 0.620 531 A CB -0.584 18.432 19.000 0.026 0.000 0.819 531 A HN 0.358 nan 8.150 nan 0.000 0.442 532 R N -0.691 119.822 120.500 0.021 0.000 2.193 532 R HA -0.031 4.311 4.340 0.003 0.000 0.213 532 R C 0.467 176.780 176.300 0.022 0.000 1.055 532 R CA 1.202 57.312 56.100 0.016 0.000 0.995 532 R CB 0.070 30.375 30.300 0.008 0.000 0.893 532 R HN 0.354 nan 8.270 nan 0.000 0.459 533 E N 0.013 120.231 120.200 0.031 0.000 2.548 533 E HA 0.155 4.507 4.350 0.003 0.000 0.206 533 E C -0.236 176.384 176.600 0.033 0.000 1.005 533 E CA 0.083 56.504 56.400 0.036 0.000 0.951 533 E CB 1.542 31.272 29.700 0.051 0.000 1.035 533 E HN 0.188 nan 8.360 nan 0.000 0.470 534 T N 0.370 114.941 114.554 0.027 0.000 2.550 534 T HA 0.202 4.554 4.350 0.003 0.000 0.256 534 T C -0.731 173.979 174.700 0.016 0.000 0.866 534 T CA -0.531 61.581 62.100 0.021 0.000 1.163 534 T CB 0.965 69.846 68.868 0.021 0.000 1.460 534 T HN 0.059 nan 8.240 nan 0.000 0.498 535 D N -0.356 120.052 120.400 0.013 0.000 2.908 535 D HA 0.244 4.886 4.640 0.003 0.000 0.361 535 D C -0.577 175.730 176.300 0.011 0.000 1.416 535 D CA -0.384 53.623 54.000 0.012 0.000 0.796 535 D CB -0.917 39.891 40.800 0.014 0.000 1.185 535 D HN 0.359 nan 8.370 nan 0.000 0.451 536 I N 1.285 121.862 120.570 0.012 0.000 2.845 536 I HA -0.062 4.110 4.170 0.003 0.000 0.290 536 I C 0.342 176.467 176.117 0.015 0.000 1.202 536 I CA 0.636 61.942 61.300 0.010 0.000 1.406 536 I CB 0.620 38.627 38.000 0.012 0.000 1.383 536 I HN 0.207 nan 8.210 nan 0.000 0.549 537 Q N 7.314 127.121 119.800 0.012 0.000 2.377 537 Q HA 0.398 4.740 4.340 0.003 0.000 0.249 537 Q C -1.085 174.925 176.000 0.017 0.000 1.005 537 Q CA -0.121 55.690 55.803 0.015 0.000 0.912 537 Q CB 0.697 29.442 28.738 0.011 0.000 1.223 537 Q HN 0.533 nan 8.270 nan 0.000 0.459 538 L N 4.441 125.679 121.223 0.025 0.000 2.331 538 L HA 0.424 4.766 4.340 0.003 0.000 0.278 538 L C 0.765 177.657 176.870 0.038 0.000 1.106 538 L CA -0.428 54.430 54.840 0.030 0.000 0.824 538 L CB 0.818 42.901 42.059 0.039 0.000 1.142 538 L HN 0.598 nan 8.230 nan 0.000 0.443 539 R N 0.000 120.526 120.500 0.043 0.000 2.786 539 R HA 0.000 4.342 4.340 0.003 0.000 0.208 539 R CA 0.000 56.134 56.100 0.057 0.000 0.921 539 R CB 0.000 30.337 30.300 0.062 0.000 0.687 539 R HN 0.000 nan 8.270 nan 0.000 0.535