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 3cb3_1_C DATA FIRST_RESID 10 DATA SEQUENCE SDRITWVRIS SCYLPLXXXX XXXXXXXXXX XXMTEIAILF AEIETAGGHQ DATA SEQUENCE GLGFSYSKRA GGPGQFAHAR EIAPALIGED PSDIAKLWDK LCWAGASAGR DATA SEQUENCE SGLSTQAIGA FDVALWDLKA KRAGLSLAKL LGSYRDSVRC YNTSGGFLHT DATA SEQUENCE PIDQLMVNAS ASIERGIGGI KLKVGQPDGA LDIARVTAVR KHLGDAVPLM DATA SEQUENCE VDANQQWDRP TAQRMCRIFE PFNLVWIEEP LDAYDHEGHA ALALQFDTPI DATA SEQUENCE ATGEMLTSAA EHGDLIRHRA ADYLMPDAPR VGGITPFLKI ASLAEHAGLM DATA SEQUENCE LAPHFAMELH VHLAAAYPRE PWVEHFEWLE PLFNERIEIR DGRMLVPTRP DATA SEQUENCE GLGLTLSGQV KAWTREEAQV GTR 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.609 174.600 0.014 0.000 1.055 10 S CA 0.000 58.204 58.200 0.006 0.000 1.107 10 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 11 D N 0.605 121.013 120.400 0.014 0.000 2.344 11 D HA 0.621 5.261 4.640 -0.000 0.000 0.244 11 D C 0.173 176.487 176.300 0.023 0.000 1.134 11 D CA -0.200 53.820 54.000 0.033 0.000 0.930 11 D CB 0.705 41.529 40.800 0.040 0.000 1.175 11 D HN 0.737 nan 8.370 nan 0.000 0.437 12 R N 1.423 121.946 120.500 0.039 0.000 2.668 12 R HA 0.506 4.846 4.340 -0.000 0.000 0.272 12 R C -0.775 175.554 176.300 0.048 0.000 1.019 12 R CA -0.866 55.252 56.100 0.031 0.000 0.894 12 R CB 0.548 30.864 30.300 0.026 0.000 1.228 12 R HN 0.297 nan 8.270 nan 0.000 0.460 13 I N 2.689 123.281 120.570 0.037 0.000 2.533 13 I HA 0.050 4.220 4.170 -0.000 0.000 0.284 13 I C 0.931 177.090 176.117 0.069 0.000 1.109 13 I CA 0.105 61.438 61.300 0.055 0.000 1.412 13 I CB 1.537 39.549 38.000 0.021 0.000 1.396 13 I HN 0.977 nan 8.210 nan 0.000 0.543 14 T N 0.988 115.614 114.554 0.119 0.000 2.958 14 T HA 0.099 4.449 4.350 -0.000 0.000 0.256 14 T C -0.406 174.439 174.700 0.242 0.000 0.983 14 T CA -0.399 61.785 62.100 0.139 0.000 0.924 14 T CB 0.203 69.145 68.868 0.123 0.000 1.136 14 T HN 0.563 nan 8.240 nan 0.000 0.506 15 W N 0.954 122.272 121.300 0.030 0.000 3.256 15 W HA 0.640 5.300 4.660 -0.000 0.000 0.324 15 W C -2.459 174.096 176.519 0.060 0.000 1.196 15 W CA -1.037 56.331 57.345 0.040 0.000 1.206 15 W CB 1.867 31.352 29.460 0.042 0.000 1.385 15 W HN -0.031 nan 8.180 nan 0.000 0.522 16 V N 5.961 125.478 119.914 -0.661 0.000 2.733 16 V HA 0.568 4.688 4.120 -0.000 0.000 0.306 16 V C -0.868 174.681 176.094 -0.907 0.000 1.084 16 V CA -1.050 60.874 62.300 -0.626 0.000 0.905 16 V CB 1.845 33.533 31.823 -0.224 0.000 1.010 16 V HN 0.526 nan 8.190 nan 0.000 0.424 17 R N 4.921 124.914 120.500 -0.845 0.000 2.575 17 R HA 0.824 5.164 4.340 -0.000 0.000 0.293 17 R C -1.280 174.944 176.300 -0.127 0.000 0.983 17 R CA -0.554 55.242 56.100 -0.507 0.000 0.887 17 R CB 1.806 31.760 30.300 -0.576 0.000 1.184 17 R HN 0.853 nan 8.270 nan 0.000 0.445 18 I N 0.547 121.131 120.570 0.024 0.000 2.646 18 I HA 0.713 4.883 4.170 -0.000 0.000 0.299 18 I C -0.950 175.370 176.117 0.339 0.000 1.036 18 I CA -0.815 60.566 61.300 0.135 0.000 1.074 18 I CB 2.491 40.521 38.000 0.050 0.000 1.258 18 I HN 0.705 nan 8.210 nan 0.000 0.430 19 S N 2.309 118.239 115.700 0.384 0.000 2.543 19 S HA 0.447 4.917 4.470 -0.000 0.000 0.271 19 S C -0.806 173.964 174.600 0.282 0.000 1.148 19 S CA -0.725 57.686 58.200 0.353 0.000 0.914 19 S CB 1.544 64.900 63.200 0.260 0.000 1.096 19 S HN 0.756 nan 8.310 nan 0.000 0.471 20 S N 1.612 117.346 115.700 0.057 0.000 2.404 20 S HA 0.454 4.924 4.470 -0.000 0.000 0.309 20 S C -0.252 174.417 174.600 0.115 0.000 1.076 20 S CA -0.522 57.691 58.200 0.022 0.000 1.095 20 S CB -0.544 62.563 63.200 -0.155 0.000 0.972 20 S HN 0.933 nan 8.310 nan 0.000 0.484 21 C N 7.315 126.676 119.300 0.102 0.000 2.295 21 C HA 0.608 5.068 4.460 -0.000 0.000 0.331 21 C C -1.049 173.967 174.990 0.044 0.000 1.280 21 C CA -0.717 58.423 59.018 0.204 0.000 1.746 21 C CB -1.001 26.941 27.740 0.337 0.000 2.328 21 C HN 0.849 nan 8.230 nan 0.000 0.521 22 Y N 5.753 126.075 120.300 0.037 0.000 2.404 22 Y HA 0.477 5.027 4.550 -0.000 0.000 0.344 22 Y C 0.208 175.947 175.900 -0.268 0.000 0.970 22 Y CA -0.428 57.620 58.100 -0.086 0.000 1.180 22 Y CB 0.864 39.270 38.460 -0.091 0.000 1.138 22 Y HN 0.641 nan 8.280 nan 0.000 0.510 23 L N 8.296 129.368 121.223 -0.253 0.000 2.278 23 L HA 0.510 4.850 4.340 -0.000 0.000 0.287 23 L C -2.418 174.138 176.870 -0.523 0.000 1.072 23 L CA -2.069 52.461 54.840 -0.518 0.000 0.819 23 L CB 0.456 42.333 42.059 -0.303 0.000 1.176 23 L HN 0.305 nan 8.230 nan 0.000 0.435 24 P HA 0.193 nan 4.420 nan 0.000 0.275 24 P C -0.899 176.158 177.300 -0.405 0.000 1.228 24 P CA -0.234 62.583 63.100 -0.472 0.000 0.786 24 P CB 1.416 32.835 31.700 -0.468 0.000 0.927 43 T N -0.281 114.206 114.554 -0.111 0.000 3.001 43 T HA 0.372 4.722 4.350 -0.000 0.000 0.251 43 T C 0.114 174.715 174.700 -0.164 0.000 1.040 43 T CA 0.631 62.650 62.100 -0.136 0.000 0.985 43 T CB 0.044 68.851 68.868 -0.102 0.000 1.011 43 T HN 0.753 nan 8.240 nan 0.000 0.509 44 E N 0.164 120.283 120.200 -0.134 0.000 2.430 44 E HA 0.664 5.014 4.350 -0.000 0.000 0.279 44 E C -1.739 174.794 176.600 -0.111 0.000 1.003 44 E CA -1.256 55.063 56.400 -0.135 0.000 0.801 44 E CB 1.412 31.086 29.700 -0.043 0.000 1.313 44 E HN 0.196 nan 8.360 nan 0.000 0.459 45 I N 0.943 121.427 120.570 -0.143 0.000 2.466 45 I HA 0.522 4.692 4.170 -0.000 0.000 0.289 45 I C -0.756 175.210 176.117 -0.250 0.000 1.026 45 I CA -1.057 60.169 61.300 -0.123 0.000 1.078 45 I CB 2.019 39.978 38.000 -0.069 0.000 1.249 45 I HN 0.733 nan 8.210 nan 0.000 0.429 46 A N 7.431 130.052 122.820 -0.332 0.000 2.269 46 A HA 0.718 5.038 4.320 -0.000 0.000 0.302 46 A C -0.666 176.734 177.584 -0.307 0.000 1.266 46 A CA -0.214 51.425 52.037 -0.663 0.000 0.894 46 A CB -0.039 18.493 19.000 -0.779 0.000 1.147 46 A HN 0.521 nan 8.150 nan 0.000 0.537 47 I N 2.561 122.936 120.570 -0.325 0.000 2.377 47 I HA 0.320 4.490 4.170 -0.000 0.000 0.293 47 I C -0.295 175.642 176.117 -0.299 0.000 0.987 47 I CA -0.414 60.710 61.300 -0.294 0.000 1.185 47 I CB 1.705 39.389 38.000 -0.527 0.000 1.341 47 I HN 0.556 nan 8.210 nan 0.000 0.455 48 L N 7.427 128.534 121.223 -0.194 0.000 2.262 48 L HA 0.567 4.907 4.340 -0.000 0.000 0.288 48 L C -1.310 175.506 176.870 -0.090 0.000 1.035 48 L CA 0.197 54.998 54.840 -0.065 0.000 0.820 48 L CB -0.072 41.985 42.059 -0.003 0.000 1.204 48 L HN 0.225 nan 8.230 nan 0.000 0.424 49 F N 4.169 124.196 119.950 0.128 0.000 2.404 49 F HA 0.742 5.269 4.527 -0.000 0.000 0.339 49 F C 0.565 176.388 175.800 0.038 0.000 1.105 49 F CA -0.341 57.739 58.000 0.134 0.000 1.087 49 F CB 1.728 40.807 39.000 0.131 0.000 1.143 49 F HN 0.615 nan 8.300 nan 0.000 0.491 50 A N 3.379 126.334 122.820 0.225 0.000 2.356 50 A HA 0.727 5.047 4.320 -0.000 0.000 0.310 50 A C -0.906 176.753 177.584 0.125 0.000 1.075 50 A CA -0.650 51.406 52.037 0.031 0.000 0.746 50 A CB 0.852 19.691 19.000 -0.269 0.000 1.221 50 A HN 0.768 nan 8.150 nan 0.000 0.443 51 E N 1.491 121.732 120.200 0.069 0.000 2.222 51 E HA 0.670 5.020 4.350 -0.000 0.000 0.267 51 E C -1.310 175.310 176.600 0.034 0.000 0.884 51 E CA -0.409 56.047 56.400 0.093 0.000 0.764 51 E CB 2.448 32.222 29.700 0.123 0.000 1.169 51 E HN 0.600 nan 8.360 nan 0.000 0.413 52 I N 1.991 122.650 120.570 0.148 0.000 2.619 52 I HA 0.315 4.485 4.170 -0.000 0.000 0.292 52 I C -0.556 175.715 176.117 0.257 0.000 1.100 52 I CA -0.590 60.805 61.300 0.158 0.000 1.043 52 I CB 2.077 40.160 38.000 0.139 0.000 1.239 52 I HN 0.424 nan 8.210 nan 0.000 0.420 53 E N 3.237 123.633 120.200 0.327 0.000 2.317 53 E HA 0.552 4.902 4.350 -0.000 0.000 0.270 53 E C -1.018 175.716 176.600 0.223 0.000 0.885 53 E CA -0.807 55.773 56.400 0.300 0.000 0.760 53 E CB 2.957 32.877 29.700 0.368 0.000 1.227 53 E HN 0.663 nan 8.360 nan 0.000 0.434 54 T N -2.425 112.233 114.554 0.173 0.000 2.940 54 T HA 0.551 4.901 4.350 -0.000 0.000 0.288 54 T C 0.912 175.675 174.700 0.105 0.000 1.045 54 T CA -0.249 61.935 62.100 0.140 0.000 1.018 54 T CB 1.642 70.603 68.868 0.155 0.000 1.151 54 T HN 0.435 nan 8.240 nan 0.000 0.529 55 A N 0.461 123.332 122.820 0.086 0.000 2.070 55 A HA 0.213 4.533 4.320 -0.000 0.000 0.220 55 A C 2.171 179.783 177.584 0.048 0.000 1.159 55 A CA 1.490 53.561 52.037 0.057 0.000 0.656 55 A CB -1.378 17.651 19.000 0.048 0.000 0.800 55 A HN 1.165 nan 8.150 nan 0.000 0.453 56 G N -1.898 106.954 108.800 0.087 0.000 2.920 56 G HA2 0.356 4.316 3.960 -0.000 0.000 0.208 56 G HA3 0.356 4.316 3.960 -0.000 0.000 0.208 56 G C 1.129 175.976 174.900 -0.088 0.000 1.159 56 G CA 0.466 45.611 45.100 0.075 0.000 0.784 56 G HN 1.598 nan 8.290 nan 0.000 0.535 57 G N -0.434 108.329 108.800 -0.061 0.000 2.136 57 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.242 57 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.242 57 G C 0.211 174.995 174.900 -0.194 0.000 0.989 57 G CA 0.064 45.086 45.100 -0.130 0.000 0.682 57 G HN 0.607 nan 8.290 nan 0.000 0.522 58 H N 0.471 119.564 119.070 0.039 0.000 2.511 58 H HA 0.534 5.090 4.556 -0.000 0.000 0.346 58 H C 0.488 175.858 175.328 0.071 0.000 1.128 58 H CA 0.333 56.408 56.048 0.045 0.000 1.342 58 H CB 1.010 30.793 29.762 0.034 0.000 1.470 58 H HN 0.496 nan 8.280 nan 0.000 0.546 59 Q N 0.566 120.480 119.800 0.191 0.000 2.423 59 Q HA 0.614 4.954 4.340 -0.000 0.000 0.278 59 Q C -0.455 175.639 176.000 0.156 0.000 1.097 59 Q CA -1.163 54.743 55.803 0.171 0.000 0.809 59 Q CB 3.258 32.082 28.738 0.143 0.000 1.391 59 Q HN 0.819 nan 8.270 nan 0.000 0.428 60 G N 0.719 109.616 108.800 0.161 0.000 2.706 60 G HA2 0.621 4.581 3.960 -0.000 0.000 0.297 60 G HA3 0.621 4.581 3.960 -0.000 0.000 0.297 60 G C -2.226 172.770 174.900 0.160 0.000 1.403 60 G CA -0.407 44.778 45.100 0.142 0.000 0.954 60 G HN 0.337 nan 8.290 nan 0.000 0.500 61 L N 1.219 122.539 121.223 0.161 0.000 2.385 61 L HA 0.947 5.287 4.340 -0.000 0.000 0.273 61 L C 0.178 177.190 176.870 0.237 0.000 0.990 61 L CA -0.121 54.842 54.840 0.205 0.000 0.821 61 L CB 1.941 44.123 42.059 0.205 0.000 1.279 61 L HN 0.993 nan 8.230 nan 0.000 0.412 62 G N 2.830 111.801 108.800 0.285 0.000 2.708 62 G HA2 0.767 4.727 3.960 -0.000 0.000 0.289 62 G HA3 0.767 4.727 3.960 -0.000 0.000 0.289 62 G C -1.761 173.360 174.900 0.369 0.000 1.416 62 G CA -0.320 44.915 45.100 0.224 0.000 0.829 62 G HN 0.872 nan 8.290 nan 0.000 0.480 63 F N -1.780 118.238 119.950 0.115 0.000 2.741 63 F HA 0.869 5.396 4.527 -0.000 0.000 0.311 63 F C -0.572 175.226 175.800 -0.003 0.000 1.149 63 F CA -1.048 56.959 58.000 0.012 0.000 0.930 63 F CB 1.422 40.385 39.000 -0.061 0.000 1.312 63 F HN 0.778 nan 8.300 nan 0.000 0.450 64 S N 0.261 116.065 115.700 0.173 0.000 2.806 64 S HA 0.917 5.387 4.470 -0.000 0.000 0.306 64 S C -1.847 172.925 174.600 0.286 0.000 1.167 64 S CA -0.236 58.049 58.200 0.143 0.000 0.847 64 S CB 1.716 64.909 63.200 -0.013 0.000 1.216 64 S HN 1.559 nan 8.310 nan 0.000 0.532 65 Y N -1.367 118.982 120.300 0.082 0.000 2.713 65 Y HA 0.779 5.329 4.550 -0.000 0.000 0.335 65 Y C -1.413 174.485 175.900 -0.004 0.000 1.222 65 Y CA -0.860 57.255 58.100 0.024 0.000 1.061 65 Y CB 0.783 39.302 38.460 0.097 0.000 1.314 65 Y HN 0.463 nan 8.280 nan 0.000 0.453 66 S N 1.082 116.814 115.700 0.053 0.000 2.548 66 S HA 0.420 4.889 4.470 -0.000 0.000 0.276 66 S C -0.260 174.408 174.600 0.114 0.000 1.129 66 S CA -1.116 57.064 58.200 -0.034 0.000 0.931 66 S CB 2.148 65.317 63.200 -0.052 0.000 1.068 66 S HN 0.748 nan 8.310 nan 0.000 0.480 67 K N 1.012 121.471 120.400 0.098 0.000 2.063 67 K HA 0.202 4.522 4.320 -0.000 0.000 0.204 67 K C 1.174 177.789 176.600 0.025 0.000 1.039 67 K CA 0.418 56.752 56.287 0.078 0.000 0.957 67 K CB 0.031 32.576 32.500 0.075 0.000 0.764 67 K HN 0.343 nan 8.250 nan 0.000 0.447 68 R N 0.834 121.345 120.500 0.017 0.000 2.103 68 R HA 0.357 4.697 4.340 -0.000 0.000 0.155 68 R C 0.255 176.566 176.300 0.017 0.000 1.173 68 R CA -0.192 55.915 56.100 0.012 0.000 1.504 68 R CB -0.786 29.518 30.300 0.008 0.000 1.742 68 R HN 0.143 nan 8.270 nan 0.000 0.595 69 A N -0.491 122.340 122.820 0.018 0.000 2.483 69 A HA 0.418 4.737 4.320 -0.000 0.000 0.238 69 A C 0.929 178.523 177.584 0.016 0.000 1.070 69 A CA 0.991 53.044 52.037 0.026 0.000 0.770 69 A CB -0.164 18.849 19.000 0.021 0.000 1.008 69 A HN 0.744 nan 8.150 nan 0.000 0.497 70 G N 0.454 109.271 108.800 0.028 0.000 3.110 70 G HA2 0.016 3.976 3.960 -0.000 0.000 0.205 70 G HA3 0.016 3.976 3.960 -0.000 0.000 0.205 70 G C 1.266 176.183 174.900 0.028 0.000 1.019 70 G CA 0.633 45.741 45.100 0.014 0.000 0.826 70 G HN 1.619 nan 8.290 nan 0.000 0.481 71 G N 1.984 110.801 108.800 0.029 0.000 2.491 71 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.218 71 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.218 71 G C 0.136 175.115 174.900 0.132 0.000 1.180 71 G CA 2.156 47.270 45.100 0.024 0.000 0.774 71 G HN 0.503 nan 8.290 nan 0.000 0.562 72 P HA -0.047 nan 4.420 nan 0.000 0.215 72 P C 2.176 179.593 177.300 0.196 0.000 1.157 72 P CA 1.829 65.045 63.100 0.194 0.000 0.868 72 P CB -0.473 31.314 31.700 0.144 0.000 0.788 73 G N -0.424 108.454 108.800 0.130 0.000 2.421 73 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.216 73 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.216 73 G C 1.640 176.614 174.900 0.124 0.000 1.171 73 G CA 0.646 45.811 45.100 0.108 0.000 0.775 73 G HN 0.277 nan 8.290 nan 0.000 0.543 74 Q N -0.950 118.913 119.800 0.104 0.000 2.077 74 Q HA -0.150 4.190 4.340 -0.000 0.000 0.206 74 Q C 2.236 178.320 176.000 0.139 0.000 0.989 74 Q CA 1.577 57.437 55.803 0.095 0.000 0.853 74 Q CB -0.274 28.496 28.738 0.052 0.000 0.907 74 Q HN 0.535 nan 8.270 nan 0.000 0.418 75 F N 0.464 120.445 119.950 0.052 0.000 2.113 75 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 75 F C 2.063 177.911 175.800 0.079 0.000 1.103 75 F CA 1.324 59.359 58.000 0.059 0.000 1.248 75 F CB -0.367 38.675 39.000 0.071 0.000 0.999 75 F HN 0.027 nan 8.300 nan 0.000 0.475 76 A N -0.740 122.175 122.820 0.158 0.000 1.908 76 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 76 A C 2.023 179.591 177.584 -0.026 0.000 1.181 76 A CA 2.107 54.178 52.037 0.058 0.000 0.627 76 A CB -1.381 17.707 19.000 0.147 0.000 0.818 76 A HN 0.650 nan 8.150 nan 0.000 0.445 77 H N -0.333 118.712 119.070 -0.043 0.000 2.357 77 H HA 0.132 4.688 4.556 -0.000 0.000 0.301 77 H C 2.188 177.483 175.328 -0.055 0.000 1.082 77 H CA 1.625 57.649 56.048 -0.041 0.000 1.342 77 H CB -0.208 29.543 29.762 -0.019 0.000 1.389 77 H HN 0.394 nan 8.280 nan 0.000 0.511 78 A N 0.687 123.486 122.820 -0.036 0.000 1.933 78 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 78 A C 2.398 179.926 177.584 -0.093 0.000 1.175 78 A CA 1.642 53.691 52.037 0.019 0.000 0.628 78 A CB -0.623 18.347 19.000 -0.049 0.000 0.814 78 A HN 0.487 nan 8.150 nan 0.000 0.444 79 R N -0.424 119.879 120.500 -0.327 0.000 2.092 79 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 79 R C 2.127 178.300 176.300 -0.211 0.000 1.119 79 R CA 1.662 57.563 56.100 -0.331 0.000 0.970 79 R CB -0.216 29.807 30.300 -0.462 0.000 0.864 79 R HN 0.708 nan 8.270 nan 0.000 0.440 80 E N 0.508 120.573 120.200 -0.226 0.000 2.152 80 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 80 E C 1.843 178.298 176.600 -0.241 0.000 0.983 80 E CA 1.223 57.497 56.400 -0.210 0.000 0.818 80 E CB 0.034 29.606 29.700 -0.214 0.000 0.758 80 E HN 0.614 nan 8.360 nan 0.000 0.467 81 I N -3.445 116.941 120.570 -0.307 0.000 3.645 81 I HA 0.302 4.472 4.170 -0.000 0.000 0.300 81 I C 2.180 178.095 176.117 -0.336 0.000 1.260 81 I CA 0.484 61.604 61.300 -0.299 0.000 1.365 81 I CB 0.074 37.875 38.000 -0.332 0.000 1.077 81 I HN -0.054 nan 8.210 nan 0.000 0.439 82 A N 2.735 125.353 122.820 -0.336 0.000 1.927 82 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 82 A C 0.244 177.632 177.584 -0.327 0.000 1.185 82 A CA 2.031 53.797 52.037 -0.451 0.000 0.639 82 A CB -2.028 16.859 19.000 -0.189 0.000 0.820 82 A HN 0.403 nan 8.150 nan 0.000 0.451 83 P HA -0.161 nan 4.420 nan 0.000 0.217 83 P C 1.562 178.774 177.300 -0.147 0.000 1.148 83 P CA 1.788 64.800 63.100 -0.147 0.000 0.828 83 P CB -0.130 31.506 31.700 -0.106 0.000 0.783 84 A N -1.012 121.702 122.820 -0.176 0.000 2.131 84 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 84 A C 2.050 179.545 177.584 -0.149 0.000 1.158 84 A CA 1.205 53.156 52.037 -0.143 0.000 0.665 84 A CB -1.490 17.424 19.000 -0.144 0.000 0.795 84 A HN 0.180 nan 8.150 nan 0.000 0.460 85 L N -0.104 120.992 121.223 -0.211 0.000 2.240 85 L HA 0.024 4.364 4.340 -0.000 0.000 0.211 85 L C 0.224 177.034 176.870 -0.100 0.000 1.106 85 L CA -0.195 54.536 54.840 -0.182 0.000 0.793 85 L CB -0.368 41.530 42.059 -0.268 0.000 0.927 85 L HN 0.220 nan 8.230 nan 0.000 0.446 86 I N 1.352 121.870 120.570 -0.085 0.000 2.741 86 I HA -0.019 4.151 4.170 -0.000 0.000 0.288 86 I C 1.492 177.597 176.117 -0.021 0.000 1.192 86 I CA 1.246 62.526 61.300 -0.035 0.000 1.426 86 I CB -0.375 37.611 38.000 -0.023 0.000 1.367 86 I HN 0.415 nan 8.210 nan 0.000 0.563 87 G N 5.122 113.920 108.800 -0.002 0.000 2.217 87 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.246 87 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.246 87 G C 0.339 175.237 174.900 -0.003 0.000 0.990 87 G CA -0.339 44.763 45.100 0.002 0.000 0.627 87 G HN 0.549 nan 8.290 nan 0.000 0.522 88 E N 1.013 121.206 120.200 -0.013 0.000 2.349 88 E HA 0.348 4.698 4.350 -0.000 0.000 0.262 88 E C -0.465 176.127 176.600 -0.014 0.000 1.088 88 E CA -0.570 55.820 56.400 -0.016 0.000 0.899 88 E CB 0.902 30.584 29.700 -0.030 0.000 1.044 88 E HN 0.251 nan 8.360 nan 0.000 0.420 89 D N 2.782 123.172 120.400 -0.017 0.000 2.339 89 D HA 0.048 4.688 4.640 -0.000 0.000 0.256 89 D C -1.493 174.781 176.300 -0.043 0.000 1.214 89 D CA -1.885 52.100 54.000 -0.025 0.000 0.877 89 D CB 1.008 41.792 40.800 -0.026 0.000 1.111 89 D HN 0.042 nan 8.370 nan 0.000 0.478 90 P HA -0.100 nan 4.420 nan 0.000 0.222 90 P C 1.063 178.290 177.300 -0.121 0.000 1.147 90 P CA 0.555 63.616 63.100 -0.066 0.000 0.790 90 P CB 0.441 32.117 31.700 -0.041 0.000 0.780 91 S N -0.248 115.377 115.700 -0.125 0.000 2.453 91 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 91 S C 0.793 175.288 174.600 -0.176 0.000 1.005 91 S CA 0.744 58.843 58.200 -0.168 0.000 0.949 91 S CB -0.606 62.514 63.200 -0.133 0.000 0.774 91 S HN 0.206 nan 8.310 nan 0.000 0.510 92 D N 1.829 122.157 120.400 -0.120 0.000 2.713 92 D HA 0.232 4.872 4.640 -0.000 0.000 0.229 92 D C 1.106 177.344 176.300 -0.103 0.000 1.136 92 D CA -0.027 53.915 54.000 -0.096 0.000 1.010 92 D CB -0.200 40.571 40.800 -0.049 0.000 1.084 92 D HN 0.337 nan 8.370 nan 0.000 0.495 93 I N 0.669 121.129 120.570 -0.184 0.000 2.127 93 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 93 I C 2.432 178.543 176.117 -0.009 0.000 1.075 93 I CA 1.160 62.359 61.300 -0.170 0.000 1.334 93 I CB -0.273 37.450 38.000 -0.462 0.000 1.040 93 I HN 0.171 nan 8.210 nan 0.000 0.405 94 A N 0.743 123.560 122.820 -0.007 0.000 1.933 94 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 94 A C 2.422 180.037 177.584 0.052 0.000 1.175 94 A CA 1.959 54.023 52.037 0.044 0.000 0.628 94 A CB -0.585 18.413 19.000 -0.004 0.000 0.814 94 A HN 0.403 nan 8.150 nan 0.000 0.444 95 K N -0.187 120.218 120.400 0.009 0.000 2.032 95 K HA -0.107 4.213 4.320 -0.000 0.000 0.209 95 K C 1.846 178.443 176.600 -0.005 0.000 1.048 95 K CA 1.594 57.879 56.287 -0.002 0.000 0.927 95 K CB -0.326 32.179 32.500 0.008 0.000 0.712 95 K HN 0.494 nan 8.250 nan 0.000 0.441 96 L N -0.751 120.479 121.223 0.012 0.000 2.093 96 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 96 L C 2.339 179.215 176.870 0.009 0.000 1.085 96 L CA 1.107 55.944 54.840 -0.005 0.000 0.755 96 L CB -0.535 41.511 42.059 -0.021 0.000 0.904 96 L HN 0.416 nan 8.230 nan 0.000 0.435 97 W N 1.742 122.984 121.300 -0.097 0.000 2.335 97 W HA -0.245 4.415 4.660 0.000 0.000 0.311 97 W C 2.260 178.667 176.519 -0.187 0.000 1.213 97 W CA 1.767 59.063 57.345 -0.082 0.000 1.274 97 W CB 0.041 29.477 29.460 -0.039 0.000 1.148 97 W HN 0.157 nan 8.180 nan 0.000 0.498 98 D N -0.206 120.240 120.400 0.076 0.000 2.144 98 D HA -0.207 4.433 4.640 -0.000 0.000 0.200 98 D C 1.937 177.851 176.300 -0.645 0.000 0.978 98 D CA 1.491 55.249 54.000 -0.403 0.000 0.833 98 D CB -0.500 39.872 40.800 -0.714 0.000 0.961 98 D HN 0.247 nan 8.370 nan 0.000 0.470 99 K N 0.661 120.895 120.400 -0.277 0.000 2.057 99 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 99 K C 2.221 178.810 176.600 -0.019 0.000 1.049 99 K CA 0.660 56.955 56.287 0.013 0.000 0.931 99 K CB -0.068 32.468 32.500 0.060 0.000 0.714 99 K HN 0.104 nan 8.250 nan 0.000 0.440 100 L N 0.506 121.636 121.223 -0.154 0.000 2.141 100 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 100 L C 2.827 179.591 176.870 -0.177 0.000 1.094 100 L CA 0.741 55.469 54.840 -0.187 0.000 0.763 100 L CB -0.499 41.396 42.059 -0.274 0.000 0.908 100 L HN 0.456 nan 8.230 nan 0.000 0.437 101 C N -0.286 118.833 119.300 -0.301 0.000 2.453 101 C HA -0.181 4.279 4.460 -0.000 0.000 0.277 101 C C 2.705 177.694 174.990 -0.001 0.000 1.262 101 C CA 0.217 59.079 59.018 -0.260 0.000 1.718 101 C CB -0.875 26.636 27.740 -0.383 0.000 2.031 101 C HN 0.643 nan 8.230 nan 0.000 0.480 102 W N 0.976 122.263 121.300 -0.021 0.000 2.342 102 W HA -0.058 4.602 4.660 0.000 0.000 0.297 102 W C 2.708 179.219 176.519 -0.014 0.000 1.213 102 W CA 1.432 58.776 57.345 -0.001 0.000 1.251 102 W CB -1.537 27.927 29.460 0.007 0.000 1.136 102 W HN 0.530 nan 8.180 nan 0.000 0.526 103 A N -0.008 122.926 122.820 0.191 0.000 1.978 103 A HA -0.027 4.293 4.320 -0.000 0.000 0.220 103 A C 1.967 179.597 177.584 0.076 0.000 1.170 103 A CA 1.896 53.984 52.037 0.084 0.000 0.636 103 A CB -0.974 18.026 19.000 -0.000 0.000 0.810 103 A HN 0.213 nan 8.150 nan 0.000 0.448 104 G N -1.988 106.878 108.800 0.111 0.000 4.757 104 G HA2 0.462 4.422 3.960 -0.000 0.000 0.303 104 G HA3 0.462 4.422 3.960 -0.000 0.000 0.303 104 G C 0.857 175.825 174.900 0.113 0.000 1.318 104 G CA 0.757 45.949 45.100 0.154 0.000 1.020 104 G HN 0.546 nan 8.290 nan 0.000 0.589 105 A N 1.112 124.005 122.820 0.121 0.000 1.917 105 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 105 A C 2.677 180.310 177.584 0.081 0.000 1.182 105 A CA 2.495 54.606 52.037 0.124 0.000 0.633 105 A CB -0.539 18.553 19.000 0.154 0.000 0.819 105 A HN 1.109 nan 8.150 nan 0.000 0.448 106 S N -0.432 115.306 115.700 0.065 0.000 2.537 106 S HA 0.214 4.684 4.470 -0.000 0.000 0.240 106 S C 1.571 176.188 174.600 0.029 0.000 0.981 106 S CA 1.030 59.257 58.200 0.044 0.000 0.948 106 S CB -0.385 62.837 63.200 0.037 0.000 0.759 106 S HN 0.933 nan 8.310 nan 0.000 0.531 107 A N 0.757 123.591 122.820 0.023 0.000 2.251 107 A HA 0.603 4.923 4.320 -0.000 0.000 0.209 107 A C 1.320 178.885 177.584 -0.032 0.000 1.187 107 A CA 0.345 52.366 52.037 -0.026 0.000 0.823 107 A CB -0.947 17.999 19.000 -0.090 0.000 0.846 107 A HN 1.595 nan 8.150 nan 0.000 0.486 108 G N -0.765 108.040 108.800 0.007 0.000 2.710 108 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.668 108 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.668 108 G C -0.128 174.792 174.900 0.033 0.000 1.320 108 G CA -0.317 44.797 45.100 0.023 0.000 0.860 108 G HN 0.423 nan 8.290 nan 0.000 0.538 109 R N 0.294 120.836 120.500 0.071 0.000 2.633 109 R HA 0.480 4.820 4.340 -0.000 0.000 0.348 109 R C 0.565 176.956 176.300 0.153 0.000 1.100 109 R CA 0.484 56.660 56.100 0.127 0.000 1.068 109 R CB 0.401 30.806 30.300 0.176 0.000 1.351 109 R HN 0.985 nan 8.270 nan 0.000 0.575 110 S N -1.977 113.776 115.700 0.088 0.000 2.672 110 S HA 0.801 5.271 4.470 -0.000 0.000 0.271 110 S C 0.269 174.889 174.600 0.034 0.000 1.171 110 S CA -0.374 57.880 58.200 0.091 0.000 0.817 110 S CB 1.918 65.175 63.200 0.095 0.000 1.150 110 S HN 0.317 nan 8.310 nan 0.000 0.478 111 G N 0.428 109.249 108.800 0.036 0.000 2.553 111 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.242 111 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.242 111 G C 0.468 175.346 174.900 -0.036 0.000 1.277 111 G CA -0.005 45.093 45.100 -0.003 0.000 0.910 111 G HN 1.264 nan 8.290 nan 0.000 0.576 112 L N 1.157 122.341 121.223 -0.065 0.000 2.043 112 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 112 L C 3.428 180.213 176.870 -0.143 0.000 1.075 112 L CA 2.942 57.731 54.840 -0.086 0.000 0.752 112 L CB -0.839 41.173 42.059 -0.079 0.000 0.891 112 L HN 0.892 nan 8.230 nan 0.000 0.432 113 S N -0.815 114.719 115.700 -0.277 0.000 2.356 113 S HA -0.205 4.265 4.470 -0.000 0.000 0.223 113 S C 1.994 176.500 174.600 -0.157 0.000 1.032 113 S CA 1.659 59.581 58.200 -0.464 0.000 1.005 113 S CB -1.120 61.687 63.200 -0.655 0.000 0.867 113 S HN 0.585 nan 8.310 nan 0.000 0.449 114 T N -0.292 114.196 114.554 -0.110 0.000 2.995 114 T HA 0.048 4.398 4.350 -0.000 0.000 0.269 114 T C 1.854 176.565 174.700 0.018 0.000 1.091 114 T CA 0.876 62.934 62.100 -0.070 0.000 1.128 114 T CB -0.508 68.405 68.868 0.075 0.000 0.891 114 T HN 0.529 nan 8.240 nan 0.000 0.492 115 Q N 0.826 120.630 119.800 0.007 0.000 2.172 115 Q HA 0.165 4.505 4.340 -0.000 0.000 0.200 115 Q C 2.723 178.719 176.000 -0.007 0.000 0.964 115 Q CA 1.187 56.993 55.803 0.005 0.000 0.855 115 Q CB -0.348 28.364 28.738 -0.042 0.000 0.918 115 Q HN 0.727 nan 8.270 nan 0.000 0.444 116 A N 0.997 123.821 122.820 0.005 0.000 1.898 116 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 116 A C 2.014 179.623 177.584 0.042 0.000 1.181 116 A CA 0.933 52.985 52.037 0.025 0.000 0.620 116 A CB -0.531 18.561 19.000 0.153 0.000 0.819 116 A HN 0.282 nan 8.150 nan 0.000 0.442 117 I N -0.049 120.556 120.570 0.059 0.000 2.264 117 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 117 I C 2.653 178.828 176.117 0.097 0.000 1.111 117 I CA 1.035 62.360 61.300 0.041 0.000 1.382 117 I CB -0.656 37.086 38.000 -0.431 0.000 1.060 117 I HN 0.407 nan 8.210 nan 0.000 0.418 118 G N 0.747 109.604 108.800 0.094 0.000 2.469 118 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 118 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 118 G C 1.875 176.796 174.900 0.036 0.000 1.136 118 G CA 0.921 46.107 45.100 0.143 0.000 0.759 118 G HN 0.505 nan 8.290 nan 0.000 0.562 119 A N 0.630 123.392 122.820 -0.096 0.000 1.883 119 A HA 0.070 4.390 4.320 -0.000 0.000 0.217 119 A C 2.163 179.653 177.584 -0.156 0.000 1.186 119 A CA 1.655 53.574 52.037 -0.198 0.000 0.624 119 A CB -0.591 18.191 19.000 -0.362 0.000 0.822 119 A HN 0.298 nan 8.150 nan 0.000 0.444 120 F N 0.048 120.023 119.950 0.041 0.000 2.134 120 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 120 F C 2.060 177.904 175.800 0.072 0.000 1.097 120 F CA 1.425 59.444 58.000 0.033 0.000 1.264 120 F CB -0.906 38.084 39.000 -0.017 0.000 1.001 120 F HN 0.343 nan 8.300 nan 0.000 0.479 121 D N 0.367 120.948 120.400 0.302 0.000 2.104 121 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 121 D C 2.189 178.684 176.300 0.325 0.000 0.994 121 D CA 1.417 55.617 54.000 0.334 0.000 0.830 121 D CB -0.106 40.971 40.800 0.462 0.000 0.959 121 D HN 0.032 nan 8.370 nan 0.000 0.452 122 V N 0.594 120.632 119.914 0.208 0.000 2.407 122 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 122 V C 2.511 178.703 176.094 0.163 0.000 1.055 122 V CA 1.708 64.093 62.300 0.141 0.000 1.049 122 V CB -0.907 30.864 31.823 -0.086 0.000 0.662 122 V HN 0.355 nan 8.190 nan 0.000 0.455 123 A N -0.147 122.761 122.820 0.147 0.000 1.902 123 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 123 A C 2.215 179.879 177.584 0.134 0.000 1.181 123 A CA 1.802 53.929 52.037 0.150 0.000 0.623 123 A CB -0.529 18.569 19.000 0.163 0.000 0.818 123 A HN 0.511 nan 8.150 nan 0.000 0.443 124 L N -2.842 118.451 121.223 0.116 0.000 2.083 124 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 124 L C 2.587 179.429 176.870 -0.048 0.000 1.083 124 L CA 1.252 56.095 54.840 0.005 0.000 0.752 124 L CB -0.475 41.545 42.059 -0.065 0.000 0.899 124 L HN 0.607 nan 8.230 nan 0.000 0.433 125 W N 0.580 121.891 121.300 0.018 0.000 2.381 125 W HA -0.198 4.462 4.660 -0.000 0.000 0.301 125 W C 2.406 178.907 176.519 -0.029 0.000 1.205 125 W CA 1.283 58.621 57.345 -0.012 0.000 1.285 125 W CB -0.260 29.183 29.460 -0.028 0.000 1.133 125 W HN 0.216 nan 8.180 nan 0.000 0.521 126 D N 0.342 120.865 120.400 0.206 0.000 2.104 126 D HA -0.242 4.398 4.640 -0.000 0.000 0.194 126 D C 2.073 178.424 176.300 0.084 0.000 0.994 126 D CA 1.595 55.657 54.000 0.104 0.000 0.830 126 D CB -0.398 40.457 40.800 0.091 0.000 0.959 126 D HN 0.126 nan 8.370 nan 0.000 0.452 127 L N -0.018 121.252 121.223 0.079 0.000 2.046 127 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 127 L C 2.389 179.262 176.870 0.004 0.000 1.077 127 L CA 1.506 56.380 54.840 0.058 0.000 0.747 127 L CB -0.334 41.757 42.059 0.053 0.000 0.896 127 L HN 0.021 nan 8.230 nan 0.000 0.432 128 K N -0.263 120.119 120.400 -0.031 0.000 2.057 128 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 128 K C 2.002 178.602 176.600 0.000 0.000 1.049 128 K CA 1.341 57.586 56.287 -0.070 0.000 0.931 128 K CB -0.194 32.216 32.500 -0.150 0.000 0.714 128 K HN 0.447 nan 8.250 nan 0.000 0.440 129 A N 1.536 124.394 122.820 0.064 0.000 1.883 129 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 129 A C 1.917 179.525 177.584 0.039 0.000 1.186 129 A CA 1.833 53.907 52.037 0.062 0.000 0.624 129 A CB -0.419 18.614 19.000 0.055 0.000 0.822 129 A HN 0.335 nan 8.150 nan 0.000 0.444 130 K N -0.846 119.581 120.400 0.045 0.000 2.057 130 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 130 K C 2.355 179.001 176.600 0.075 0.000 1.049 130 K CA 1.435 57.760 56.287 0.062 0.000 0.931 130 K CB -0.217 32.335 32.500 0.087 0.000 0.714 130 K HN 0.483 nan 8.250 nan 0.000 0.440 131 R N 0.894 121.421 120.500 0.045 0.000 2.105 131 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 131 R C 1.915 178.230 176.300 0.025 0.000 1.135 131 R CA 1.609 57.714 56.100 0.008 0.000 0.967 131 R CB -0.169 30.007 30.300 -0.206 0.000 0.861 131 R HN 0.199 nan 8.270 nan 0.000 0.442 132 A N -0.371 122.458 122.820 0.014 0.000 2.208 132 A HA 0.186 4.506 4.320 -0.000 0.000 0.209 132 A C 1.328 178.930 177.584 0.030 0.000 1.161 132 A CA 0.753 52.802 52.037 0.020 0.000 0.782 132 A CB -0.160 18.852 19.000 0.019 0.000 0.816 132 A HN 0.585 nan 8.150 nan 0.000 0.477 133 G N -1.068 107.756 108.800 0.039 0.000 2.198 133 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 133 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 133 G C -0.078 174.841 174.900 0.031 0.000 1.025 133 G CA 0.677 45.799 45.100 0.038 0.000 0.769 133 G HN 0.502 nan 8.290 nan 0.000 0.507 134 L N 0.263 121.505 121.223 0.031 0.000 2.323 134 L HA 0.695 5.035 4.340 -0.000 0.000 0.265 134 L C 1.147 178.031 176.870 0.023 0.000 1.012 134 L CA -0.656 54.202 54.840 0.029 0.000 0.820 134 L CB 1.983 44.060 42.059 0.030 0.000 1.334 134 L HN 0.339 nan 8.230 nan 0.000 0.427 135 S N 0.445 116.164 115.700 0.031 0.000 2.589 135 S HA 0.102 4.572 4.470 -0.000 0.000 0.265 135 S C 0.793 175.372 174.600 -0.035 0.000 1.342 135 S CA -0.537 57.673 58.200 0.018 0.000 1.005 135 S CB 0.924 64.201 63.200 0.127 0.000 0.909 135 S HN 0.582 nan 8.310 nan 0.000 0.555 136 L N 1.704 122.790 121.223 -0.228 0.000 2.083 136 L HA 0.042 4.382 4.340 -0.000 0.000 0.209 136 L C 2.576 179.427 176.870 -0.031 0.000 1.083 136 L CA 2.339 57.060 54.840 -0.198 0.000 0.752 136 L CB -1.674 40.115 42.059 -0.450 0.000 0.899 136 L HN 0.939 nan 8.230 nan 0.000 0.433 137 A N -0.674 122.238 122.820 0.153 0.000 1.883 137 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 137 A C 2.241 179.866 177.584 0.069 0.000 1.186 137 A CA 1.772 53.907 52.037 0.163 0.000 0.624 137 A CB -0.489 18.646 19.000 0.225 0.000 0.822 137 A HN 0.401 nan 8.150 nan 0.000 0.444 138 K N -0.726 119.711 120.400 0.062 0.000 2.155 138 K HA -0.023 4.297 4.320 -0.000 0.000 0.203 138 K C 1.867 178.482 176.600 0.024 0.000 1.052 138 K CA 0.958 57.262 56.287 0.028 0.000 0.948 138 K CB -0.673 31.845 32.500 0.030 0.000 0.728 138 K HN 0.470 nan 8.250 nan 0.000 0.448 139 L N 1.320 122.566 121.223 0.039 0.000 1.994 139 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 139 L C 2.008 178.917 176.870 0.065 0.000 1.071 139 L CA 1.573 56.452 54.840 0.066 0.000 0.745 139 L CB -0.611 41.515 42.059 0.111 0.000 0.892 139 L HN 0.034 nan 8.230 nan 0.000 0.431 140 L N -0.061 121.184 121.223 0.036 0.000 2.201 140 L HA 0.130 4.470 4.340 -0.000 0.000 0.212 140 L C 0.953 177.820 176.870 -0.005 0.000 1.105 140 L CA 0.515 55.360 54.840 0.008 0.000 0.775 140 L CB -1.154 40.875 42.059 -0.050 0.000 0.913 140 L HN 0.583 nan 8.230 nan 0.000 0.440 141 G N 0.335 109.122 108.800 -0.022 0.000 3.338 141 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.686 141 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.686 141 G C -0.310 174.515 174.900 -0.124 0.000 1.053 141 G CA -0.259 44.790 45.100 -0.086 0.000 0.852 141 G HN 0.329 nan 8.290 nan 0.000 0.545 142 S N 1.475 117.090 115.700 -0.142 0.000 2.704 142 S HA 0.827 5.297 4.470 -0.000 0.000 0.305 142 S C 0.347 174.809 174.600 -0.231 0.000 1.107 142 S CA -0.682 57.458 58.200 -0.101 0.000 0.993 142 S CB 1.950 65.152 63.200 0.003 0.000 1.110 142 S HN 0.853 nan 8.310 nan 0.000 0.534 143 Y N 0.370 120.679 120.300 0.014 0.000 2.445 143 Y HA 0.387 4.937 4.550 -0.000 0.000 0.247 143 Y C 0.977 176.877 175.900 0.001 0.000 1.129 143 Y CA -0.418 57.684 58.100 0.003 0.000 1.251 143 Y CB 0.551 39.010 38.460 -0.002 0.000 1.176 143 Y HN 0.737 nan 8.280 nan 0.000 0.522 144 R N -1.579 119.001 120.500 0.134 0.000 2.663 144 R HA 0.328 4.668 4.340 -0.000 0.000 0.267 144 R C -1.131 175.189 176.300 0.034 0.000 1.038 144 R CA -0.650 55.493 56.100 0.071 0.000 0.886 144 R CB 0.915 31.253 30.300 0.064 0.000 1.249 144 R HN -0.190 nan 8.270 nan 0.000 0.463 145 D N 0.606 121.014 120.400 0.013 0.000 2.339 145 D HA 0.065 4.705 4.640 -0.000 0.000 0.217 145 D C -0.172 176.119 176.300 -0.015 0.000 1.050 145 D CA 0.793 54.793 54.000 -0.001 0.000 0.856 145 D CB 0.652 41.451 40.800 -0.002 0.000 0.922 145 D HN 0.584 nan 8.370 nan 0.000 0.518 146 S N -0.996 114.694 115.700 -0.016 0.000 2.565 146 S HA 0.579 5.049 4.470 -0.000 0.000 0.269 146 S C -1.022 173.557 174.600 -0.034 0.000 1.153 146 S CA -0.830 57.352 58.200 -0.030 0.000 0.835 146 S CB 2.240 65.421 63.200 -0.032 0.000 1.122 146 S HN -0.191 nan 8.310 nan 0.000 0.462 147 V N 1.788 121.678 119.914 -0.041 0.000 2.735 147 V HA 0.565 4.685 4.120 -0.000 0.000 0.310 147 V C 0.111 176.150 176.094 -0.092 0.000 1.061 147 V CA -1.073 61.195 62.300 -0.053 0.000 0.913 147 V CB 1.857 33.678 31.823 -0.005 0.000 1.005 147 V HN 0.962 nan 8.190 nan 0.000 0.428 148 R N 1.970 122.332 120.500 -0.229 0.000 2.585 148 R HA 0.326 4.666 4.340 -0.000 0.000 0.275 148 R C -0.074 176.185 176.300 -0.068 0.000 1.018 148 R CA -0.004 55.861 56.100 -0.392 0.000 1.072 148 R CB 0.113 29.720 30.300 -1.154 0.000 0.953 148 R HN 0.950 nan 8.270 nan 0.000 0.419 149 C N 1.769 121.147 119.300 0.130 0.000 2.971 149 C HA 0.890 5.350 4.460 -0.000 0.000 0.310 149 C C -0.830 174.466 174.990 0.510 0.000 1.285 149 C CA -1.218 58.001 59.018 0.335 0.000 1.593 149 C CB 1.033 28.851 27.740 0.130 0.000 2.076 149 C HN 0.959 nan 8.230 nan 0.000 0.472 150 Y N 0.048 120.486 120.300 0.230 0.000 2.689 150 Y HA 0.878 5.428 4.550 -0.000 0.000 0.333 150 Y C -0.964 174.904 175.900 -0.054 0.000 1.190 150 Y CA -0.759 57.371 58.100 0.051 0.000 1.063 150 Y CB 1.057 39.449 38.460 -0.114 0.000 1.294 150 Y HN 0.978 nan 8.280 nan 0.000 0.466 151 N N -2.099 116.490 118.700 -0.185 0.000 2.825 151 N HA 0.282 5.022 4.740 -0.000 0.000 0.253 151 N C -0.321 175.050 175.510 -0.232 0.000 1.426 151 N CA -0.345 52.485 53.050 -0.366 0.000 0.851 151 N CB 1.230 39.532 38.487 -0.309 0.000 1.470 151 N HN 0.846 nan 8.380 nan 0.000 0.517 152 T N -3.913 110.432 114.554 -0.349 0.000 3.081 152 T HA 0.115 4.465 4.350 -0.000 0.000 0.255 152 T C 0.178 174.725 174.700 -0.255 0.000 1.113 152 T CA 0.569 62.508 62.100 -0.268 0.000 1.082 152 T CB -0.630 68.054 68.868 -0.307 0.000 0.939 152 T HN 0.629 nan 8.240 nan 0.000 0.506 153 S N 0.526 116.082 115.700 -0.239 0.000 3.587 153 S HA -0.109 4.361 4.470 -0.000 0.000 0.337 153 S C 1.310 175.801 174.600 -0.181 0.000 1.119 153 S CA 0.876 58.975 58.200 -0.168 0.000 0.976 153 S CB -1.987 61.138 63.200 -0.125 0.000 0.922 153 S HN 1.825 nan 8.310 nan 0.000 0.503 154 G N -0.286 108.374 108.800 -0.233 0.000 2.283 154 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.280 154 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.280 154 G C 0.330 174.888 174.900 -0.570 0.000 1.029 154 G CA 0.438 45.363 45.100 -0.291 0.000 0.840 154 G HN 1.425 nan 8.290 nan 0.000 0.505 155 G N -1.308 107.133 108.800 -0.599 0.000 2.420 155 G HA2 0.720 4.680 3.960 -0.000 0.000 0.284 155 G HA3 0.720 4.680 3.960 -0.000 0.000 0.284 155 G C -0.587 173.797 174.900 -0.860 0.000 1.177 155 G CA -0.655 44.122 45.100 -0.539 0.000 0.841 155 G HN 0.300 nan 8.290 nan 0.000 0.527 156 F N -0.823 119.003 119.950 -0.206 0.000 2.715 156 F HA 0.356 4.883 4.527 0.000 0.000 0.318 156 F C 0.760 176.385 175.800 -0.293 0.000 1.141 156 F CA -1.072 56.737 58.000 -0.318 0.000 0.950 156 F CB 1.267 39.846 39.000 -0.701 0.000 1.374 156 F HN 0.133 nan 8.300 nan 0.000 0.477 157 L N 0.906 122.140 121.223 0.019 0.000 2.551 157 L HA -0.109 4.231 4.340 -0.000 0.000 0.228 157 L C 1.535 178.440 176.870 0.059 0.000 1.153 157 L CA 1.495 56.355 54.840 0.034 0.000 0.851 157 L CB -1.729 40.371 42.059 0.067 0.000 0.959 157 L HN 0.777 nan 8.230 nan 0.000 0.451 158 H N -3.951 115.211 119.070 0.152 0.000 2.740 158 H HA 0.170 4.726 4.556 -0.000 0.000 0.265 158 H C 0.617 176.013 175.328 0.114 0.000 0.978 158 H CA -0.410 55.703 56.048 0.108 0.000 1.198 158 H CB -0.637 29.173 29.762 0.080 0.000 1.467 158 H HN -0.105 nan 8.280 nan 0.000 0.511 159 T N 4.394 118.971 114.554 0.037 0.000 2.799 159 T HA 0.154 4.504 4.350 -0.000 0.000 0.296 159 T C -2.416 172.327 174.700 0.071 0.000 0.947 159 T CA -0.965 61.201 62.100 0.111 0.000 1.141 159 T CB 0.822 69.687 68.868 -0.006 0.000 0.891 159 T HN 0.237 nan 8.240 nan 0.000 0.533 160 P HA 0.078 nan 4.420 nan 0.000 0.263 160 P C 1.036 178.342 177.300 0.010 0.000 1.195 160 P CA -0.337 62.790 63.100 0.045 0.000 0.762 160 P CB 0.337 32.063 31.700 0.044 0.000 0.799 161 I N 3.599 124.170 120.570 0.001 0.000 2.300 161 I HA -0.335 3.835 4.170 -0.000 0.000 0.252 161 I C 0.959 177.042 176.117 -0.056 0.000 1.119 161 I CA 1.997 63.283 61.300 -0.023 0.000 1.384 161 I CB -0.504 37.488 38.000 -0.014 0.000 1.062 161 I HN 0.307 nan 8.210 nan 0.000 0.426 162 D N -0.007 120.366 120.400 -0.045 0.000 2.087 162 D HA -0.229 4.411 4.640 -0.000 0.000 0.192 162 D C 2.178 178.437 176.300 -0.069 0.000 0.993 162 D CA 1.764 55.724 54.000 -0.067 0.000 0.828 162 D CB -0.354 40.425 40.800 -0.034 0.000 0.968 162 D HN 0.510 nan 8.370 nan 0.000 0.448 163 Q N -0.209 119.572 119.800 -0.031 0.000 2.020 163 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 163 Q C 2.295 178.275 176.000 -0.034 0.000 0.982 163 Q CA 0.586 56.378 55.803 -0.018 0.000 0.838 163 Q CB -0.325 28.420 28.738 0.012 0.000 0.899 163 Q HN 0.196 nan 8.270 nan 0.000 0.423 164 L N 0.664 121.863 121.223 -0.040 0.000 2.054 164 L HA -0.291 4.049 4.340 -0.000 0.000 0.220 164 L C 2.268 179.107 176.870 -0.052 0.000 1.081 164 L CA 1.961 56.769 54.840 -0.055 0.000 0.780 164 L CB -0.282 41.744 42.059 -0.056 0.000 0.893 164 L HN 0.263 nan 8.230 nan 0.000 0.438 165 M N -2.378 117.167 119.600 -0.092 0.000 2.175 165 M HA -0.186 4.294 4.480 -0.000 0.000 0.264 165 M C 2.008 178.301 176.300 -0.012 0.000 1.063 165 M CA 1.439 56.658 55.300 -0.136 0.000 1.119 165 M CB -0.266 31.998 32.600 -0.561 0.000 1.377 165 M HN 0.161 nan 8.290 nan 0.000 0.415 166 V N 0.854 120.744 119.914 -0.039 0.000 2.358 166 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 166 V C 2.013 178.127 176.094 0.034 0.000 1.047 166 V CA 1.618 63.934 62.300 0.026 0.000 1.035 166 V CB -0.936 30.887 31.823 0.001 0.000 0.658 166 V HN 0.481 nan 8.190 nan 0.000 0.452 167 N N 0.964 119.667 118.700 0.006 0.000 2.084 167 N HA -0.154 4.586 4.740 -0.000 0.000 0.190 167 N C 1.995 177.499 175.510 -0.010 0.000 1.030 167 N CA 1.800 54.846 53.050 -0.008 0.000 0.849 167 N CB -0.513 37.956 38.487 -0.030 0.000 1.012 167 N HN 0.487 nan 8.380 nan 0.000 0.423 168 A N 1.052 123.872 122.820 -0.001 0.000 1.908 168 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 168 A C 2.552 180.143 177.584 0.011 0.000 1.181 168 A CA 1.881 53.917 52.037 -0.002 0.000 0.627 168 A CB -0.770 18.244 19.000 0.023 0.000 0.818 168 A HN 0.285 nan 8.150 nan 0.000 0.445 169 S N -0.226 115.512 115.700 0.062 0.000 2.382 169 S HA -0.040 4.430 4.470 -0.000 0.000 0.228 169 S C 2.266 176.867 174.600 0.003 0.000 1.027 169 S CA 1.174 59.395 58.200 0.034 0.000 0.991 169 S CB -0.451 62.812 63.200 0.104 0.000 0.823 169 S HN 0.808 nan 8.310 nan 0.000 0.469 170 A N 1.503 124.327 122.820 0.006 0.000 1.855 170 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 170 A C 2.355 179.919 177.584 -0.034 0.000 1.191 170 A CA 1.838 53.869 52.037 -0.010 0.000 0.613 170 A CB -1.062 17.935 19.000 -0.005 0.000 0.829 170 A HN 0.438 nan 8.150 nan 0.000 0.442 171 S N 0.146 115.818 115.700 -0.047 0.000 2.359 171 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 171 S C 1.817 176.372 174.600 -0.075 0.000 1.039 171 S CA 1.627 59.779 58.200 -0.081 0.000 1.042 171 S CB -0.456 62.689 63.200 -0.092 0.000 0.915 171 S HN 0.461 nan 8.310 nan 0.000 0.439 172 I N 1.738 122.276 120.570 -0.053 0.000 2.264 172 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 172 I C 2.533 178.623 176.117 -0.045 0.000 1.111 172 I CA 1.304 62.576 61.300 -0.046 0.000 1.382 172 I CB -1.340 36.635 38.000 -0.042 0.000 1.060 172 I HN 0.449 nan 8.210 nan 0.000 0.418 173 E N 1.187 121.363 120.200 -0.041 0.000 2.077 173 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 173 E C 2.284 178.859 176.600 -0.041 0.000 0.989 173 E CA 1.036 57.415 56.400 -0.035 0.000 0.800 173 E CB 0.064 29.749 29.700 -0.025 0.000 0.746 173 E HN 0.416 nan 8.360 nan 0.000 0.452 174 R N -1.132 119.334 120.500 -0.056 0.000 2.237 174 R HA -0.036 4.304 4.340 -0.000 0.000 0.219 174 R C 1.267 177.520 176.300 -0.078 0.000 1.080 174 R CA 0.822 56.881 56.100 -0.069 0.000 0.995 174 R CB 0.192 30.434 30.300 -0.098 0.000 0.875 174 R HN 0.372 nan 8.270 nan 0.000 0.462 175 G N 0.271 109.026 108.800 -0.075 0.000 2.151 175 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.140 175 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.140 175 G C -0.001 174.856 174.900 -0.071 0.000 1.020 175 G CA -0.725 44.336 45.100 -0.065 0.000 0.688 175 G HN 0.021 nan 8.290 nan 0.000 0.500 176 I N 1.516 122.034 120.570 -0.087 0.000 2.634 176 I HA 0.376 4.546 4.170 -0.000 0.000 0.284 176 I C 1.741 177.866 176.117 0.014 0.000 1.124 176 I CA 0.906 62.167 61.300 -0.066 0.000 1.417 176 I CB 1.022 38.961 38.000 -0.102 0.000 1.396 176 I HN 0.123 nan 8.210 nan 0.000 0.571 177 G N 3.973 112.832 108.800 0.098 0.000 3.042 177 G HA2 0.423 4.383 3.960 -0.000 0.000 0.212 177 G HA3 0.423 4.383 3.960 -0.000 0.000 0.212 177 G C 0.535 175.607 174.900 0.286 0.000 1.166 177 G CA 0.385 45.591 45.100 0.175 0.000 0.767 177 G HN 0.891 nan 8.290 nan 0.000 0.546 178 G N -0.519 108.404 108.800 0.204 0.000 2.547 178 G HA2 0.444 4.404 3.960 -0.000 0.000 0.291 178 G HA3 0.444 4.404 3.960 -0.000 0.000 0.291 178 G C -1.910 172.981 174.900 -0.014 0.000 1.471 178 G CA -0.705 44.422 45.100 0.045 0.000 0.798 178 G HN 0.003 nan 8.290 nan 0.000 0.504 179 I N 0.621 121.108 120.570 -0.138 0.000 2.466 179 I HA 0.447 4.617 4.170 -0.000 0.000 0.289 179 I C -0.204 175.781 176.117 -0.220 0.000 1.026 179 I CA -0.936 60.287 61.300 -0.128 0.000 1.078 179 I CB 1.722 39.655 38.000 -0.112 0.000 1.249 179 I HN 0.551 nan 8.210 nan 0.000 0.429 180 K N 7.021 127.338 120.400 -0.139 0.000 2.213 180 K HA 0.684 5.004 4.320 -0.000 0.000 0.270 180 K C -1.322 175.177 176.600 -0.168 0.000 1.002 180 K CA -0.463 55.702 56.287 -0.205 0.000 0.868 180 K CB 1.201 33.677 32.500 -0.040 0.000 1.093 180 K HN 0.526 nan 8.250 nan 0.000 0.454 181 L N 4.033 125.135 121.223 -0.201 0.000 2.325 181 L HA 0.439 4.779 4.340 -0.000 0.000 0.278 181 L C 0.058 176.846 176.870 -0.135 0.000 1.023 181 L CA -1.184 53.558 54.840 -0.163 0.000 0.811 181 L CB 1.484 43.447 42.059 -0.161 0.000 1.249 181 L HN 0.449 nan 8.230 nan 0.000 0.431 182 K N 2.848 123.191 120.400 -0.095 0.000 2.276 182 K HA 0.513 4.833 4.320 -0.000 0.000 0.283 182 K C -0.295 176.279 176.600 -0.042 0.000 1.044 182 K CA -0.133 56.126 56.287 -0.047 0.000 0.944 182 K CB 1.806 34.322 32.500 0.028 0.000 1.012 182 K HN 0.507 nan 8.250 nan 0.000 0.472 183 V N -2.405 117.470 119.914 -0.065 0.000 3.103 183 V HA 0.876 4.996 4.120 -0.000 0.000 0.311 183 V C 0.459 176.496 176.094 -0.095 0.000 1.322 183 V CA -0.246 62.050 62.300 -0.007 0.000 1.063 183 V CB 1.475 33.343 31.823 0.076 0.000 1.090 183 V HN 0.815 nan 8.190 nan 0.000 0.462 184 G N 0.557 109.369 108.800 0.020 0.000 2.141 184 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.164 184 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.164 184 G C -0.136 174.816 174.900 0.087 0.000 1.009 184 G CA 0.165 45.188 45.100 -0.129 0.000 0.677 184 G HN 1.441 nan 8.290 nan 0.000 0.508 185 Q N -0.423 119.479 119.800 0.170 0.000 2.227 185 Q HA 0.680 5.020 4.340 -0.000 0.000 0.245 185 Q C -1.698 174.403 176.000 0.168 0.000 0.926 185 Q CA -1.608 54.276 55.803 0.135 0.000 0.895 185 Q CB 1.840 30.641 28.738 0.106 0.000 1.230 185 Q HN 0.013 nan 8.270 nan 0.000 0.450 186 P HA -0.195 nan 4.420 nan 0.000 0.218 186 P C -0.280 177.070 177.300 0.084 0.000 1.147 186 P CA 1.595 64.757 63.100 0.104 0.000 0.827 186 P CB 0.128 31.871 31.700 0.071 0.000 0.778 187 D N -1.224 119.225 120.400 0.082 0.000 2.518 187 D HA 0.167 4.807 4.640 -0.000 0.000 0.230 187 D C 1.508 177.847 176.300 0.064 0.000 1.138 187 D CA -0.346 53.688 54.000 0.057 0.000 0.964 187 D CB -0.235 40.593 40.800 0.047 0.000 1.011 187 D HN -0.053 nan 8.370 nan 0.000 0.517 188 G N 2.155 110.982 108.800 0.045 0.000 2.450 188 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 188 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 188 G C 1.467 176.354 174.900 -0.021 0.000 1.130 188 G CA 0.861 45.974 45.100 0.022 0.000 0.760 188 G HN 0.540 nan 8.290 nan 0.000 0.557 189 A N 0.463 123.268 122.820 -0.026 0.000 1.940 189 A HA 0.042 4.362 4.320 -0.000 0.000 0.219 189 A C 2.347 179.937 177.584 0.010 0.000 1.176 189 A CA 1.176 53.197 52.037 -0.025 0.000 0.631 189 A CB -0.295 18.695 19.000 -0.016 0.000 0.814 189 A HN 0.318 nan 8.150 nan 0.000 0.446 190 L N -0.018 121.224 121.223 0.032 0.000 2.005 190 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 190 L C 2.056 178.970 176.870 0.072 0.000 1.072 190 L CA 2.108 56.979 54.840 0.051 0.000 0.744 190 L CB -1.547 40.545 42.059 0.055 0.000 0.895 190 L HN 0.397 nan 8.230 nan 0.000 0.433 191 D N 0.028 120.487 120.400 0.100 0.000 2.133 191 D HA -0.230 4.410 4.640 -0.000 0.000 0.195 191 D C 2.256 178.654 176.300 0.162 0.000 0.997 191 D CA 1.283 55.374 54.000 0.152 0.000 0.840 191 D CB -0.058 40.897 40.800 0.257 0.000 0.947 191 D HN 0.348 nan 8.370 nan 0.000 0.452 192 I N 1.229 121.851 120.570 0.087 0.000 2.208 192 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 192 I C 2.572 178.782 176.117 0.155 0.000 1.097 192 I CA 1.155 62.484 61.300 0.048 0.000 1.363 192 I CB -0.253 37.693 38.000 -0.090 0.000 1.051 192 I HN -0.067 nan 8.210 nan 0.000 0.413 193 A N 0.928 123.813 122.820 0.109 0.000 1.898 193 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 193 A C 2.412 180.065 177.584 0.114 0.000 1.181 193 A CA 1.189 53.292 52.037 0.110 0.000 0.620 193 A CB -0.467 18.574 19.000 0.068 0.000 0.819 193 A HN 0.288 nan 8.150 nan 0.000 0.442 194 R N -0.352 120.206 120.500 0.095 0.000 2.080 194 R HA -0.131 4.209 4.340 -0.000 0.000 0.236 194 R C 2.056 178.407 176.300 0.085 0.000 1.137 194 R CA 1.705 57.849 56.100 0.073 0.000 0.943 194 R CB -1.197 29.137 30.300 0.057 0.000 0.846 194 R HN 0.415 nan 8.270 nan 0.000 0.431 195 V N 1.110 121.086 119.914 0.103 0.000 2.407 195 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 195 V C 2.353 178.593 176.094 0.244 0.000 1.055 195 V CA 2.163 64.519 62.300 0.093 0.000 1.049 195 V CB -0.769 31.023 31.823 -0.050 0.000 0.662 195 V HN 0.397 nan 8.190 nan 0.000 0.455 196 T N 0.493 115.257 114.554 0.350 0.000 2.708 196 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 196 T C 2.124 176.926 174.700 0.170 0.000 1.037 196 T CA 1.669 63.965 62.100 0.326 0.000 1.146 196 T CB -0.457 68.564 68.868 0.254 0.000 0.865 196 T HN 0.580 nan 8.240 nan 0.000 0.435 197 A N 1.149 124.046 122.820 0.128 0.000 1.865 197 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 197 A C 2.608 180.255 177.584 0.106 0.000 1.191 197 A CA 1.784 53.873 52.037 0.087 0.000 0.623 197 A CB -1.202 17.829 19.000 0.050 0.000 0.826 197 A HN 0.344 nan 8.150 nan 0.000 0.444 198 V N 0.427 120.399 119.914 0.096 0.000 2.332 198 V HA -0.274 3.845 4.120 -0.000 0.000 0.248 198 V C 2.701 178.869 176.094 0.124 0.000 1.055 198 V CA 2.472 64.838 62.300 0.109 0.000 1.038 198 V CB -0.956 30.898 31.823 0.052 0.000 0.651 198 V HN 0.714 nan 8.190 nan 0.000 0.450 199 R N 2.149 122.721 120.500 0.120 0.000 2.080 199 R HA -0.218 4.122 4.340 -0.000 0.000 0.236 199 R C 2.257 178.600 176.300 0.071 0.000 1.137 199 R CA 2.478 58.640 56.100 0.104 0.000 0.943 199 R CB -0.737 29.663 30.300 0.168 0.000 0.846 199 R HN 0.678 nan 8.270 nan 0.000 0.431 200 K N -1.598 118.851 120.400 0.082 0.000 2.217 200 K HA -0.166 4.154 4.320 -0.000 0.000 0.202 200 K C 2.049 178.694 176.600 0.076 0.000 1.051 200 K CA 1.578 57.900 56.287 0.058 0.000 0.952 200 K CB -0.517 32.014 32.500 0.053 0.000 0.736 200 K HN 0.361 nan 8.250 nan 0.000 0.453 201 H N 1.172 120.248 119.070 0.011 0.000 2.357 201 H HA 0.029 4.585 4.556 0.000 0.000 0.301 201 H C 1.605 176.932 175.328 -0.002 0.000 1.082 201 H CA 1.808 57.858 56.048 0.004 0.000 1.342 201 H CB 0.030 29.794 29.762 0.003 0.000 1.389 201 H HN 0.203 nan 8.280 nan 0.000 0.511 202 L N -0.899 120.247 121.223 -0.129 0.000 2.416 202 L HA 0.279 4.619 4.340 -0.000 0.000 0.216 202 L C 0.953 177.761 176.870 -0.103 0.000 1.098 202 L CA 0.180 54.910 54.840 -0.183 0.000 0.840 202 L CB -0.079 41.929 42.059 -0.084 0.000 0.981 202 L HN 0.569 nan 8.230 nan 0.000 0.462 203 G N 1.390 110.159 108.800 -0.051 0.000 2.690 203 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.686 203 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.686 203 G C -0.263 174.626 174.900 -0.019 0.000 1.277 203 G CA -0.148 44.932 45.100 -0.034 0.000 0.799 203 G HN 0.427 nan 8.290 nan 0.000 0.613 204 D N -0.570 119.822 120.400 -0.013 0.000 2.358 204 D HA 0.380 5.020 4.640 -0.000 0.000 0.241 204 D C 1.837 178.134 176.300 -0.005 0.000 1.094 204 D CA 1.342 55.338 54.000 -0.006 0.000 0.907 204 D CB 0.180 40.975 40.800 -0.009 0.000 0.893 204 D HN 1.043 nan 8.370 nan 0.000 0.528 205 A N -0.030 122.784 122.820 -0.010 0.000 2.195 205 A HA 0.255 4.575 4.320 -0.000 0.000 0.210 205 A C 0.694 178.278 177.584 -0.001 0.000 1.165 205 A CA -0.202 51.832 52.037 -0.004 0.000 0.806 205 A CB 0.360 19.354 19.000 -0.010 0.000 0.847 205 A HN 0.185 nan 8.150 nan 0.000 0.482 206 V N 2.331 122.237 119.914 -0.013 0.000 2.333 206 V HA 0.252 4.372 4.120 -0.000 0.000 0.274 206 V C -2.505 173.568 176.094 -0.035 0.000 1.028 206 V CA -1.780 60.509 62.300 -0.017 0.000 0.851 206 V CB 0.950 32.753 31.823 -0.035 0.000 1.000 206 V HN 0.187 nan 8.190 nan 0.000 0.456 207 P HA 0.182 nan 4.420 nan 0.000 0.265 207 P C -0.724 176.429 177.300 -0.246 0.000 1.193 207 P CA 0.316 63.347 63.100 -0.114 0.000 0.765 207 P CB 0.443 32.120 31.700 -0.038 0.000 0.823 208 L N 3.679 124.717 121.223 -0.309 0.000 2.381 208 L HA 0.605 4.945 4.340 -0.000 0.000 0.268 208 L C -0.192 176.331 176.870 -0.579 0.000 0.997 208 L CA -0.773 53.847 54.840 -0.368 0.000 0.818 208 L CB 1.798 43.728 42.059 -0.214 0.000 1.310 208 L HN 0.308 nan 8.230 nan 0.000 0.416 209 M N 2.919 122.110 119.600 -0.682 0.000 2.593 209 M HA 0.649 5.129 4.480 -0.000 0.000 0.290 209 M C -0.843 175.111 176.300 -0.577 0.000 1.244 209 M CA -0.714 54.056 55.300 -0.882 0.000 0.857 209 M CB 2.490 34.161 32.600 -1.548 0.000 1.738 209 M HN 0.273 nan 8.290 nan 0.000 0.461 210 V N -2.102 117.521 119.914 -0.485 0.000 2.823 210 V HA 0.846 4.966 4.120 -0.000 0.000 0.312 210 V C -1.731 174.250 176.094 -0.189 0.000 1.072 210 V CA -0.435 61.653 62.300 -0.354 0.000 0.937 210 V CB 2.134 33.650 31.823 -0.512 0.000 1.013 210 V HN 0.836 nan 8.190 nan 0.000 0.430 211 D N 2.679 122.991 120.400 -0.147 0.000 2.481 211 D HA 0.708 5.348 4.640 -0.000 0.000 0.246 211 D C 0.474 176.650 176.300 -0.207 0.000 1.109 211 D CA 0.090 54.034 54.000 -0.094 0.000 0.845 211 D CB 2.204 43.005 40.800 0.001 0.000 1.160 211 D HN 0.879 nan 8.370 nan 0.000 0.534 212 A N 3.686 126.294 122.820 -0.353 0.000 2.238 212 A HA 0.065 4.385 4.320 -0.000 0.000 0.210 212 A C 0.816 178.145 177.584 -0.426 0.000 1.179 212 A CA -0.068 51.577 52.037 -0.654 0.000 0.827 212 A CB -0.230 17.927 19.000 -1.406 0.000 0.856 212 A HN 0.731 nan 8.150 nan 0.000 0.488 213 N N 0.282 118.846 118.700 -0.227 0.000 2.705 213 N HA -0.240 4.500 4.740 -0.000 0.000 0.255 213 N C -0.212 175.217 175.510 -0.134 0.000 1.008 213 N CA 1.244 54.216 53.050 -0.130 0.000 0.742 213 N CB -1.414 37.030 38.487 -0.072 0.000 0.906 213 N HN 0.767 nan 8.380 nan 0.000 0.541 214 Q N -2.631 117.088 119.800 -0.135 0.000 2.393 214 Q HA -0.335 4.005 4.340 -0.000 0.000 0.235 214 Q C 0.885 176.830 176.000 -0.092 0.000 0.823 214 Q CA 1.648 57.403 55.803 -0.080 0.000 1.284 214 Q CB -1.092 27.626 28.738 -0.034 0.000 1.669 214 Q HN 0.672 nan 8.270 nan 0.000 0.597 215 Q N -0.885 118.794 119.800 -0.202 0.000 2.311 215 Q HA -0.081 4.259 4.340 -0.000 0.000 0.203 215 Q C 0.162 176.179 176.000 0.027 0.000 0.954 215 Q CA 0.596 56.316 55.803 -0.138 0.000 0.885 215 Q CB 0.252 28.864 28.738 -0.209 0.000 0.963 215 Q HN 0.298 nan 8.270 nan 0.000 0.471 216 W N 2.768 124.079 121.300 0.018 0.000 2.316 216 W HA 0.150 4.810 4.660 -0.000 0.000 0.321 216 W C 0.240 176.755 176.519 -0.006 0.000 1.203 216 W CA -1.703 55.648 57.345 0.010 0.000 1.214 216 W CB 0.111 29.581 29.460 0.018 0.000 1.169 216 W HN 0.107 nan 8.180 nan 0.000 0.561 217 D N 0.528 121.063 120.400 0.225 0.000 2.451 217 D HA 0.205 4.845 4.640 -0.000 0.000 0.259 217 D C 1.159 177.514 176.300 0.092 0.000 1.201 217 D CA -0.404 53.661 54.000 0.109 0.000 1.028 217 D CB 0.824 41.664 40.800 0.068 0.000 1.095 217 D HN 0.248 nan 8.370 nan 0.000 0.539 218 R N -0.261 120.266 120.500 0.046 0.000 2.080 218 R HA -0.057 4.283 4.340 -0.000 0.000 0.236 218 R C -0.638 175.680 176.300 0.031 0.000 1.137 218 R CA 1.659 57.781 56.100 0.038 0.000 0.943 218 R CB -1.441 28.871 30.300 0.020 0.000 0.846 218 R HN 0.542 nan 8.270 nan 0.000 0.431 219 P HA -0.114 nan 4.420 nan 0.000 0.216 219 P C 0.887 178.157 177.300 -0.050 0.000 1.150 219 P CA 1.571 64.668 63.100 -0.005 0.000 0.837 219 P CB -0.058 31.638 31.700 -0.006 0.000 0.786 220 T N 0.111 114.621 114.554 -0.073 0.000 2.857 220 T HA 0.020 4.370 4.350 -0.000 0.000 0.266 220 T C 2.132 176.601 174.700 -0.384 0.000 1.048 220 T CA 1.413 63.387 62.100 -0.209 0.000 1.139 220 T CB -0.773 67.989 68.868 -0.176 0.000 0.874 220 T HN 0.074 nan 8.240 nan 0.000 0.455 221 A N 1.603 124.311 122.820 -0.187 0.000 1.933 221 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 221 A C 2.394 179.881 177.584 -0.162 0.000 1.175 221 A CA 1.168 53.120 52.037 -0.143 0.000 0.628 221 A CB -0.505 18.611 19.000 0.193 0.000 0.814 221 A HN 0.316 nan 8.150 nan 0.000 0.444 222 Q N -0.242 119.538 119.800 -0.032 0.000 2.002 222 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 222 Q C 2.280 178.270 176.000 -0.016 0.000 0.988 222 Q CA 1.901 57.769 55.803 0.108 0.000 0.843 222 Q CB -0.389 28.423 28.738 0.124 0.000 0.908 222 Q HN 0.716 nan 8.270 nan 0.000 0.420 223 R N -0.461 119.965 120.500 -0.123 0.000 2.096 223 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 223 R C 2.345 178.450 176.300 -0.325 0.000 1.127 223 R CA 1.155 57.151 56.100 -0.174 0.000 0.968 223 R CB -0.118 30.079 30.300 -0.171 0.000 0.861 223 R HN 0.216 nan 8.270 nan 0.000 0.440 224 M N -0.288 119.000 119.600 -0.520 0.000 2.200 224 M HA -0.129 4.351 4.480 -0.000 0.000 0.265 224 M C 2.326 178.339 176.300 -0.479 0.000 1.066 224 M CA 1.214 56.108 55.300 -0.678 0.000 1.127 224 M CB -0.804 31.052 32.600 -1.240 0.000 1.379 224 M HN 0.244 nan 8.290 nan 0.000 0.420 225 C N -0.541 118.474 119.300 -0.476 0.000 2.435 225 C HA -0.103 4.357 4.460 -0.000 0.000 0.279 225 C C 2.902 177.472 174.990 -0.699 0.000 1.321 225 C CA 0.652 59.315 59.018 -0.591 0.000 1.752 225 C CB -0.971 26.118 27.740 -1.086 0.000 1.959 225 C HN 0.543 nan 8.230 nan 0.000 0.500 226 R N 0.843 121.025 120.500 -0.530 0.000 2.075 226 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 226 R C 1.986 178.259 176.300 -0.046 0.000 1.126 226 R CA 1.540 57.599 56.100 -0.068 0.000 0.963 226 R CB -0.264 30.125 30.300 0.148 0.000 0.858 226 R HN 0.488 nan 8.270 nan 0.000 0.435 227 I N 0.040 120.511 120.570 -0.166 0.000 2.226 227 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 227 I C 1.601 177.724 176.117 0.010 0.000 1.100 227 I CA 1.176 62.386 61.300 -0.149 0.000 1.374 227 I CB -0.272 37.513 38.000 -0.360 0.000 1.057 227 I HN 0.126 nan 8.210 nan 0.000 0.413 228 F N 1.150 121.101 119.950 0.001 0.000 2.451 228 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 228 F C 2.417 178.350 175.800 0.221 0.000 1.101 228 F CA 0.650 58.670 58.000 0.033 0.000 1.436 228 F CB -0.672 38.198 39.000 -0.216 0.000 1.074 228 F HN 0.055 nan 8.300 nan 0.000 0.553 229 E N 0.728 121.094 120.200 0.277 0.000 2.065 229 E HA -0.224 4.126 4.350 -0.000 0.000 0.201 229 E C -0.237 176.504 176.600 0.235 0.000 1.016 229 E CA 1.935 58.474 56.400 0.231 0.000 0.818 229 E CB -1.936 27.888 29.700 0.208 0.000 0.749 229 E HN 0.295 nan 8.360 nan 0.000 0.453 230 P HA -0.112 nan 4.420 nan 0.000 0.228 230 P C 1.209 178.540 177.300 0.051 0.000 1.151 230 P CA 0.907 64.057 63.100 0.084 0.000 0.770 230 P CB -0.308 31.385 31.700 -0.012 0.000 0.786 231 F N 0.608 120.607 119.950 0.080 0.000 2.407 231 F HA 0.026 4.553 4.527 0.000 0.000 0.299 231 F C 1.055 176.869 175.800 0.023 0.000 1.097 231 F CA 0.669 58.708 58.000 0.064 0.000 1.422 231 F CB -1.040 38.026 39.000 0.111 0.000 1.067 231 F HN -0.038 nan 8.300 nan 0.000 0.539 232 N N 1.001 119.825 118.700 0.206 0.000 2.738 232 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 232 N C -0.631 174.915 175.510 0.061 0.000 1.047 232 N CA -0.399 52.719 53.050 0.113 0.000 0.707 232 N CB -1.415 37.117 38.487 0.075 0.000 0.937 232 N HN 0.174 nan 8.380 nan 0.000 0.545 233 L N -0.080 121.164 121.223 0.035 0.000 2.467 233 L HA 0.065 4.405 4.340 -0.000 0.000 0.270 233 L C 2.135 178.914 176.870 -0.152 0.000 1.205 233 L CA -0.448 54.318 54.840 -0.124 0.000 0.828 233 L CB 0.551 42.475 42.059 -0.225 0.000 1.101 233 L HN -0.062 nan 8.230 nan 0.000 0.479 234 V N 0.557 120.256 119.914 -0.358 0.000 2.343 234 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 234 V C 0.086 176.084 176.094 -0.160 0.000 1.051 234 V CA 1.617 63.688 62.300 -0.380 0.000 1.036 234 V CB -0.712 30.518 31.823 -0.989 0.000 0.654 234 V HN 0.950 nan 8.190 nan 0.000 0.451 235 W N -3.052 118.054 121.300 -0.323 0.000 2.982 235 W HA 0.648 5.308 4.660 -0.000 0.000 0.344 235 W C -1.877 174.494 176.519 -0.246 0.000 1.215 235 W CA -1.739 55.465 57.345 -0.236 0.000 1.182 235 W CB 0.318 29.589 29.460 -0.315 0.000 1.437 235 W HN -0.251 nan 8.180 nan 0.000 0.570 236 I N 2.409 123.138 120.570 0.265 0.000 2.382 236 I HA 0.233 4.403 4.170 -0.000 0.000 0.286 236 I C -0.249 175.986 176.117 0.197 0.000 1.002 236 I CA -0.798 60.589 61.300 0.144 0.000 1.135 236 I CB 1.649 39.719 38.000 0.117 0.000 1.288 236 I HN 0.554 nan 8.210 nan 0.000 0.448 237 E N 6.663 126.968 120.200 0.175 0.000 2.216 237 E HA 0.185 4.535 4.350 -0.000 0.000 0.279 237 E C -0.428 176.149 176.600 -0.038 0.000 0.997 237 E CA -0.369 56.046 56.400 0.026 0.000 0.817 237 E CB 0.829 30.589 29.700 0.100 0.000 1.096 237 E HN 0.483 nan 8.360 nan 0.000 0.393 238 E N 2.970 123.134 120.200 -0.060 0.000 2.183 238 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 238 E C -1.873 174.747 176.600 0.034 0.000 1.364 238 E CA 0.084 56.484 56.400 -0.000 0.000 0.700 238 E CB -0.388 29.276 29.700 -0.060 0.000 1.106 238 E HN 0.529 nan 8.360 nan 0.000 0.347 239 P HA -0.076 nan 4.420 nan 0.000 0.222 239 P C 0.647 178.053 177.300 0.177 0.000 1.153 239 P CA 1.065 64.278 63.100 0.189 0.000 0.798 239 P CB 0.419 32.414 31.700 0.493 0.000 0.796 240 L N -1.151 120.144 121.223 0.120 0.000 2.235 240 L HA 0.441 4.781 4.340 -0.000 0.000 0.260 240 L C 0.279 177.125 176.870 -0.039 0.000 1.025 240 L CA -1.337 53.451 54.840 -0.087 0.000 0.836 240 L CB 0.489 42.289 42.059 -0.432 0.000 1.395 240 L HN -0.276 nan 8.230 nan 0.000 0.443 241 D N 0.114 120.476 120.400 -0.063 0.000 2.525 241 D HA 0.074 4.714 4.640 -0.000 0.000 0.235 241 D C 0.942 177.256 176.300 0.023 0.000 1.137 241 D CA 0.719 54.714 54.000 -0.008 0.000 0.868 241 D CB 1.429 42.224 40.800 -0.009 0.000 1.180 241 D HN 0.604 nan 8.370 nan 0.000 0.465 242 A N 3.396 126.225 122.820 0.015 0.000 2.032 242 A HA -0.207 4.113 4.320 -0.000 0.000 0.221 242 A C 1.316 178.707 177.584 -0.322 0.000 1.165 242 A CA 1.299 53.263 52.037 -0.122 0.000 0.645 242 A CB -0.639 18.216 19.000 -0.241 0.000 0.807 242 A HN 0.763 nan 8.150 nan 0.000 0.453 243 Y N -1.164 119.050 120.300 -0.144 0.000 2.485 243 Y HA 0.184 4.734 4.550 0.000 0.000 0.260 243 Y C 0.435 175.977 175.900 -0.597 0.000 1.173 243 Y CA -0.536 57.313 58.100 -0.419 0.000 1.252 243 Y CB 0.416 38.701 38.460 -0.291 0.000 1.123 243 Y HN 0.203 nan 8.280 nan 0.000 0.524 244 D N 0.048 120.317 120.400 -0.220 0.000 2.558 244 D HA 0.029 4.669 4.640 -0.000 0.000 0.221 244 D C 0.781 176.999 176.300 -0.137 0.000 1.143 244 D CA 0.277 54.151 54.000 -0.209 0.000 1.010 244 D CB -0.232 40.451 40.800 -0.194 0.000 1.068 244 D HN 0.474 nan 8.370 nan 0.000 0.511 245 H N 0.805 119.800 119.070 -0.125 0.000 2.389 245 H HA -0.028 4.528 4.556 -0.000 0.000 0.299 245 H C 1.436 176.671 175.328 -0.155 0.000 1.081 245 H CA 0.917 56.833 56.048 -0.220 0.000 1.345 245 H CB 0.626 29.988 29.762 -0.666 0.000 1.393 245 H HN 0.416 nan 8.280 nan 0.000 0.520 246 E N 0.344 120.524 120.200 -0.033 0.000 2.106 246 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 246 E C 2.573 179.214 176.600 0.069 0.000 0.984 246 E CA 0.667 57.121 56.400 0.090 0.000 0.806 246 E CB -0.097 29.658 29.700 0.091 0.000 0.750 246 E HN 0.546 nan 8.360 nan 0.000 0.458 247 G N 1.213 110.014 108.800 0.002 0.000 2.404 247 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.215 247 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.215 247 G C 1.358 176.269 174.900 0.019 0.000 1.174 247 G CA 0.651 45.735 45.100 -0.027 0.000 0.780 247 G HN 0.237 nan 8.290 nan 0.000 0.537 248 H N 0.828 119.939 119.070 0.067 0.000 2.387 248 H HA 0.041 4.597 4.556 -0.000 0.000 0.299 248 H C 2.938 178.323 175.328 0.095 0.000 1.090 248 H CA 1.193 57.291 56.048 0.083 0.000 1.332 248 H CB -0.439 29.359 29.762 0.059 0.000 1.386 248 H HN 0.371 nan 8.280 nan 0.000 0.516 249 A N 1.064 124.016 122.820 0.220 0.000 1.902 249 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 249 A C 2.695 180.358 177.584 0.132 0.000 1.181 249 A CA 1.769 53.905 52.037 0.166 0.000 0.623 249 A CB -0.785 18.323 19.000 0.180 0.000 0.818 249 A HN 0.431 nan 8.150 nan 0.000 0.443 250 A N -0.422 122.470 122.820 0.119 0.000 1.930 250 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 250 A C 2.168 179.811 177.584 0.099 0.000 1.175 250 A CA 1.390 53.477 52.037 0.083 0.000 0.627 250 A CB -0.521 18.518 19.000 0.066 0.000 0.815 250 A HN 0.473 nan 8.150 nan 0.000 0.443 251 L N -0.857 120.475 121.223 0.181 0.000 2.005 251 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 251 L C 3.140 180.202 176.870 0.320 0.000 1.072 251 L CA 1.134 56.164 54.840 0.317 0.000 0.744 251 L CB -0.600 41.675 42.059 0.360 0.000 0.895 251 L HN 0.423 nan 8.230 nan 0.000 0.433 252 A N -0.125 122.836 122.820 0.236 0.000 1.908 252 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 252 A C 2.309 179.967 177.584 0.122 0.000 1.181 252 A CA 1.622 53.772 52.037 0.189 0.000 0.627 252 A CB -0.794 18.288 19.000 0.136 0.000 0.818 252 A HN 0.422 nan 8.150 nan 0.000 0.445 253 L N -0.993 120.275 121.223 0.075 0.000 2.046 253 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 253 L C 2.721 179.567 176.870 -0.041 0.000 1.077 253 L CA 2.184 57.036 54.840 0.020 0.000 0.747 253 L CB -0.243 41.823 42.059 0.012 0.000 0.896 253 L HN 0.632 nan 8.230 nan 0.000 0.432 254 Q N -1.117 118.610 119.800 -0.123 0.000 2.331 254 Q HA -0.020 4.320 4.340 -0.000 0.000 0.203 254 Q C -0.404 175.279 176.000 -0.528 0.000 0.944 254 Q CA 0.368 55.945 55.803 -0.377 0.000 0.892 254 Q CB 0.287 28.664 28.738 -0.601 0.000 0.983 254 Q HN 0.320 nan 8.270 nan 0.000 0.482 255 F N -0.042 119.947 119.950 0.065 0.000 2.522 255 F HA 0.250 4.777 4.527 -0.000 0.000 0.324 255 F C 0.628 176.475 175.800 0.078 0.000 1.077 255 F CA -1.148 56.897 58.000 0.075 0.000 0.944 255 F CB 1.497 40.554 39.000 0.095 0.000 1.175 255 F HN -0.141 nan 8.300 nan 0.000 0.468 256 D N 0.039 120.605 120.400 0.277 0.000 2.149 256 D HA -0.066 4.574 4.640 -0.000 0.000 0.201 256 D C 0.557 176.976 176.300 0.198 0.000 0.972 256 D CA 1.184 55.296 54.000 0.186 0.000 0.835 256 D CB -0.344 40.547 40.800 0.151 0.000 0.966 256 D HN 0.400 nan 8.370 nan 0.000 0.476 257 T N 3.572 118.262 114.554 0.225 0.000 2.831 257 T HA 0.120 4.470 4.350 -0.000 0.000 0.291 257 T C -2.345 172.482 174.700 0.212 0.000 0.981 257 T CA -0.894 61.321 62.100 0.191 0.000 1.174 257 T CB 0.962 69.919 68.868 0.149 0.000 0.929 257 T HN -0.051 nan 8.240 nan 0.000 0.532 258 P HA 0.150 nan 4.420 nan 0.000 0.266 258 P C -0.470 176.980 177.300 0.251 0.000 1.195 258 P CA -0.314 62.949 63.100 0.271 0.000 0.768 258 P CB 0.383 32.354 31.700 0.452 0.000 0.838 259 I N 2.181 122.858 120.570 0.178 0.000 2.354 259 I HA 0.486 4.656 4.170 -0.000 0.000 0.292 259 I C 0.358 176.462 176.117 -0.022 0.000 0.989 259 I CA -0.907 60.456 61.300 0.105 0.000 1.188 259 I CB 0.779 38.852 38.000 0.120 0.000 1.342 259 I HN 0.311 nan 8.210 nan 0.000 0.457 260 A N 4.695 127.416 122.820 -0.166 0.000 2.330 260 A HA 0.869 5.189 4.320 -0.000 0.000 0.327 260 A C -0.130 177.235 177.584 -0.366 0.000 1.155 260 A CA -0.437 51.361 52.037 -0.397 0.000 0.803 260 A CB 1.800 20.155 19.000 -1.075 0.000 1.208 260 A HN 0.722 nan 8.150 nan 0.000 0.477 261 T N -0.415 113.934 114.554 -0.343 0.000 2.733 261 T HA 0.569 4.919 4.350 -0.000 0.000 0.312 261 T C 0.355 174.911 174.700 -0.241 0.000 1.590 261 T CA 0.689 62.596 62.100 -0.321 0.000 1.005 261 T CB 0.755 69.326 68.868 -0.495 0.000 1.528 261 T HN 2.428 nan 8.240 nan 0.000 0.496 262 G N 1.309 109.972 108.800 -0.227 0.000 2.296 262 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.188 262 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.188 262 G C 0.732 175.570 174.900 -0.104 0.000 1.000 262 G CA 1.100 46.091 45.100 -0.183 0.000 0.672 262 G HN 1.031 nan 8.290 nan 0.000 0.483 263 E N 0.184 120.283 120.200 -0.167 0.000 2.267 263 E HA -0.055 4.295 4.350 -0.000 0.000 0.197 263 E C 2.034 178.504 176.600 -0.218 0.000 0.998 263 E CA 1.352 57.591 56.400 -0.267 0.000 0.830 263 E CB -0.204 29.049 29.700 -0.745 0.000 0.751 263 E HN 0.442 nan 8.360 nan 0.000 0.491 264 M N 0.871 120.351 119.600 -0.201 0.000 2.556 264 M HA 0.220 4.700 4.480 -0.000 0.000 0.245 264 M C 0.712 176.943 176.300 -0.115 0.000 1.128 264 M CA 0.290 55.505 55.300 -0.141 0.000 1.069 264 M CB -0.277 32.244 32.600 -0.132 0.000 1.469 264 M HN 0.099 nan 8.290 nan 0.000 0.494 265 L N 1.068 122.180 121.223 -0.184 0.000 2.417 265 L HA 0.126 4.466 4.340 -0.000 0.000 0.268 265 L C 1.216 178.104 176.870 0.029 0.000 1.158 265 L CA -0.035 54.699 54.840 -0.176 0.000 0.819 265 L CB 0.458 42.201 42.059 -0.527 0.000 1.112 265 L HN 0.241 nan 8.230 nan 0.000 0.458 266 T N -2.639 111.967 114.554 0.086 0.000 3.266 266 T HA 0.314 4.664 4.350 -0.000 0.000 0.278 266 T C 0.031 174.820 174.700 0.149 0.000 1.010 266 T CA -0.143 62.027 62.100 0.117 0.000 0.909 266 T CB -0.070 68.852 68.868 0.090 0.000 1.122 266 T HN 0.666 nan 8.240 nan 0.000 0.536 267 S N -0.926 114.877 115.700 0.171 0.000 2.578 267 S HA 0.703 5.173 4.470 -0.000 0.000 0.272 267 S C 1.051 175.756 174.600 0.176 0.000 1.145 267 S CA -0.401 57.901 58.200 0.169 0.000 0.835 267 S CB 0.904 64.192 63.200 0.147 0.000 1.104 267 S HN 0.344 nan 8.310 nan 0.000 0.458 268 A N 1.702 124.581 122.820 0.098 0.000 1.908 268 A HA 0.260 4.580 4.320 -0.000 0.000 0.218 268 A C 2.353 179.976 177.584 0.065 0.000 1.181 268 A CA 2.239 54.304 52.037 0.046 0.000 0.627 268 A CB -1.619 17.349 19.000 -0.053 0.000 0.818 268 A HN 1.785 nan 8.150 nan 0.000 0.445 269 A N -0.243 122.614 122.820 0.061 0.000 1.908 269 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 269 A C 1.925 179.546 177.584 0.061 0.000 1.181 269 A CA 1.811 53.882 52.037 0.057 0.000 0.627 269 A CB -0.558 18.483 19.000 0.068 0.000 0.818 269 A HN 0.658 nan 8.150 nan 0.000 0.445 270 E N -1.304 118.940 120.200 0.073 0.000 2.077 270 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 270 E C 1.908 178.440 176.600 -0.113 0.000 0.989 270 E CA 1.453 57.873 56.400 0.033 0.000 0.800 270 E CB -0.261 29.461 29.700 0.038 0.000 0.746 270 E HN 0.833 nan 8.360 nan 0.000 0.452 271 H N -0.620 118.412 119.070 -0.063 0.000 2.423 271 H HA -0.037 4.519 4.556 -0.000 0.000 0.297 271 H C 2.134 177.390 175.328 -0.119 0.000 1.075 271 H CA 1.253 57.229 56.048 -0.120 0.000 1.342 271 H CB -0.300 29.382 29.762 -0.133 0.000 1.395 271 H HN 0.229 nan 8.280 nan 0.000 0.530 272 G N 0.421 109.237 108.800 0.027 0.000 2.440 272 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 272 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 272 G C 1.271 176.154 174.900 -0.029 0.000 1.154 272 G CA 1.199 46.298 45.100 -0.001 0.000 0.767 272 G HN 0.363 nan 8.290 nan 0.000 0.552 273 D N 0.275 120.642 120.400 -0.055 0.000 2.117 273 D HA -0.083 4.557 4.640 -0.000 0.000 0.197 273 D C 2.458 178.638 176.300 -0.200 0.000 0.987 273 D CA 0.244 54.209 54.000 -0.060 0.000 0.829 273 D CB -0.262 40.511 40.800 -0.046 0.000 0.961 273 D HN 0.098 nan 8.370 nan 0.000 0.460 274 L N 1.320 122.273 121.223 -0.449 0.000 1.990 274 L HA -0.166 4.174 4.340 -0.000 0.000 0.213 274 L C 2.385 179.178 176.870 -0.129 0.000 1.072 274 L CA 1.391 55.976 54.840 -0.424 0.000 0.755 274 L CB -0.927 40.931 42.059 -0.333 0.000 0.889 274 L HN 0.037 nan 8.230 nan 0.000 0.432 275 I N -0.521 120.001 120.570 -0.079 0.000 2.226 275 I HA -0.340 3.830 4.170 -0.000 0.000 0.245 275 I C 2.737 178.848 176.117 -0.010 0.000 1.100 275 I CA 1.336 62.618 61.300 -0.031 0.000 1.374 275 I CB -0.388 37.601 38.000 -0.019 0.000 1.057 275 I HN 0.321 nan 8.210 nan 0.000 0.413 276 R N 0.401 120.895 120.500 -0.011 0.000 2.105 276 R HA -0.211 4.129 4.340 -0.000 0.000 0.239 276 R C 1.999 178.258 176.300 -0.069 0.000 1.135 276 R CA 1.768 57.845 56.100 -0.039 0.000 0.967 276 R CB -0.251 30.015 30.300 -0.057 0.000 0.861 276 R HN 0.413 nan 8.270 nan 0.000 0.442 277 H N -0.113 118.930 119.070 -0.046 0.000 2.551 277 H HA 0.219 4.775 4.556 -0.000 0.000 0.266 277 H C 0.024 175.353 175.328 0.001 0.000 0.977 277 H CA 0.376 56.420 56.048 -0.006 0.000 1.163 277 H CB 0.433 30.207 29.762 0.021 0.000 1.381 277 H HN 0.041 nan 8.280 nan 0.000 0.581 278 R N -0.378 120.170 120.500 0.080 0.000 3.422 278 R HA -0.159 4.181 4.340 -0.000 0.000 0.267 278 R C 0.594 176.936 176.300 0.069 0.000 1.074 278 R CA 0.642 56.769 56.100 0.045 0.000 0.718 278 R CB -2.364 27.955 30.300 0.031 0.000 1.157 278 R HN 0.496 nan 8.270 nan 0.000 0.440 279 A N -0.776 122.086 122.820 0.070 0.000 2.251 279 A HA 0.532 4.852 4.320 -0.000 0.000 0.209 279 A C 0.780 178.366 177.584 0.002 0.000 1.187 279 A CA 0.966 53.053 52.037 0.083 0.000 0.823 279 A CB 0.410 19.469 19.000 0.097 0.000 0.846 279 A HN 0.649 nan 8.150 nan 0.000 0.486 280 A N -0.900 121.901 122.820 -0.031 0.000 2.540 280 A HA 0.527 4.847 4.320 -0.000 0.000 0.297 280 A C -0.260 177.288 177.584 -0.060 0.000 1.056 280 A CA -0.357 51.637 52.037 -0.071 0.000 0.700 280 A CB 0.668 19.584 19.000 -0.140 0.000 1.280 280 A HN 0.048 nan 8.150 nan 0.000 0.398 281 D N 0.144 120.518 120.400 -0.044 0.000 2.162 281 D HA 0.022 4.662 4.640 -0.000 0.000 0.205 281 D C -0.546 175.614 176.300 -0.234 0.000 0.964 281 D CA 1.874 55.818 54.000 -0.093 0.000 0.847 281 D CB 0.201 40.998 40.800 -0.006 0.000 0.988 281 D HN 0.554 nan 8.370 nan 0.000 0.480 282 Y N 0.658 120.864 120.300 -0.158 0.000 2.334 282 Y HA 0.313 4.863 4.550 -0.000 0.000 0.336 282 Y C -0.200 175.522 175.900 -0.297 0.000 0.960 282 Y CA -0.932 57.016 58.100 -0.254 0.000 1.164 282 Y CB 1.443 39.622 38.460 -0.469 0.000 1.155 282 Y HN -0.181 nan 8.280 nan 0.000 0.478 283 L N 5.043 126.190 121.223 -0.126 0.000 2.312 283 L HA 0.475 4.815 4.340 -0.000 0.000 0.281 283 L C -0.481 176.295 176.870 -0.157 0.000 1.070 283 L CA -0.181 54.576 54.840 -0.139 0.000 0.805 283 L CB 0.675 42.641 42.059 -0.156 0.000 1.174 283 L HN 0.619 nan 8.230 nan 0.000 0.434 284 M N 7.687 127.218 119.600 -0.114 0.000 2.634 284 M HA 0.330 4.810 4.480 -0.000 0.000 0.211 284 M C -2.435 173.881 176.300 0.027 0.000 1.019 284 M CA -1.553 53.700 55.300 -0.080 0.000 0.834 284 M CB 0.845 33.376 32.600 -0.114 0.000 1.376 284 M HN 0.356 nan 8.290 nan 0.000 0.465 285 P HA 0.130 nan 4.420 nan 0.000 0.277 285 P C -1.094 176.301 177.300 0.157 0.000 1.240 285 P CA -0.007 63.037 63.100 -0.095 0.000 0.798 285 P CB 1.324 32.632 31.700 -0.653 0.000 0.979 286 D N 1.380 121.950 120.400 0.284 0.000 2.453 286 D HA 0.321 4.961 4.640 -0.000 0.000 0.238 286 D C 1.219 177.796 176.300 0.462 0.000 1.088 286 D CA -0.677 53.591 54.000 0.447 0.000 0.854 286 D CB 1.446 42.545 40.800 0.497 0.000 1.076 286 D HN 0.266 nan 8.370 nan 0.000 0.533 287 A N 5.752 128.933 122.820 0.600 0.000 1.869 287 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 287 A C -0.672 177.023 177.584 0.184 0.000 1.203 287 A CA 1.516 53.750 52.037 0.329 0.000 0.638 287 A CB -1.355 17.636 19.000 -0.016 0.000 0.831 287 A HN 0.494 nan 8.150 nan 0.000 0.450 288 P HA -0.139 nan 4.420 nan 0.000 0.216 288 P C 1.705 179.031 177.300 0.042 0.000 1.150 288 P CA 1.540 64.677 63.100 0.062 0.000 0.837 288 P CB -0.099 31.690 31.700 0.149 0.000 0.786 289 R N 0.174 120.718 120.500 0.074 0.000 2.189 289 R HA -0.061 4.279 4.340 -0.000 0.000 0.223 289 R C 1.503 177.863 176.300 0.100 0.000 1.092 289 R CA 1.207 57.319 56.100 0.020 0.000 0.989 289 R CB -0.362 29.968 30.300 0.050 0.000 0.876 289 R HN 0.157 nan 8.270 nan 0.000 0.457 290 V N -4.283 115.732 119.914 0.168 0.000 3.621 290 V HA 0.464 4.584 4.120 -0.000 0.000 0.285 290 V C 0.768 177.005 176.094 0.238 0.000 1.346 290 V CA 0.542 62.958 62.300 0.192 0.000 1.104 290 V CB 0.669 32.605 31.823 0.190 0.000 0.913 290 V HN 0.325 nan 8.190 nan 0.000 0.432 291 G N -1.592 107.359 108.800 0.251 0.000 2.164 291 G HA2 0.384 4.344 3.960 -0.000 0.000 0.154 291 G HA3 0.384 4.344 3.960 -0.000 0.000 0.154 291 G C 0.888 176.061 174.900 0.455 0.000 1.014 291 G CA -0.013 45.335 45.100 0.413 0.000 0.683 291 G HN 2.194 nan 8.290 nan 0.000 0.500 292 G N -1.013 107.938 108.800 0.252 0.000 2.549 292 G HA2 0.045 4.005 3.960 -0.000 0.000 0.404 292 G HA3 0.045 4.005 3.960 -0.000 0.000 0.404 292 G C 0.830 175.805 174.900 0.124 0.000 1.292 292 G CA -0.083 45.128 45.100 0.185 0.000 0.935 292 G HN 0.877 nan 8.290 nan 0.000 0.512 293 I N 0.634 121.230 120.570 0.042 0.000 2.252 293 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 293 I C 3.082 179.175 176.117 -0.040 0.000 1.102 293 I CA 2.162 63.373 61.300 -0.148 0.000 1.385 293 I CB -0.644 37.013 38.000 -0.572 0.000 1.064 293 I HN 0.681 nan 8.210 nan 0.000 0.414 294 T N 1.871 116.511 114.554 0.144 0.000 2.635 294 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 294 T C -0.463 174.163 174.700 -0.122 0.000 1.040 294 T CA 1.790 63.941 62.100 0.086 0.000 1.156 294 T CB -1.381 67.500 68.868 0.022 0.000 0.863 294 T HN 0.322 nan 8.240 nan 0.000 0.430 295 P HA 0.016 nan 4.420 nan 0.000 0.225 295 P C 1.359 178.611 177.300 -0.079 0.000 1.156 295 P CA 0.744 63.711 63.100 -0.221 0.000 0.787 295 P CB -0.212 31.349 31.700 -0.231 0.000 0.802 296 F N 1.089 120.961 119.950 -0.131 0.000 2.186 296 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 296 F C 2.153 177.874 175.800 -0.130 0.000 1.090 296 F CA 1.194 59.117 58.000 -0.129 0.000 1.307 296 F CB -0.618 38.327 39.000 -0.092 0.000 1.019 296 F HN -0.306 nan 8.300 nan 0.000 0.489 297 L N 0.061 121.347 121.223 0.106 0.000 2.093 297 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 297 L C 2.363 179.200 176.870 -0.056 0.000 1.085 297 L CA 1.292 56.156 54.840 0.039 0.000 0.755 297 L CB -0.662 41.398 42.059 0.001 0.000 0.904 297 L HN 0.073 nan 8.230 nan 0.000 0.435 298 K N 0.379 120.723 120.400 -0.093 0.000 2.057 298 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 298 K C 2.074 178.592 176.600 -0.138 0.000 1.049 298 K CA 1.316 57.538 56.287 -0.108 0.000 0.931 298 K CB -0.173 32.248 32.500 -0.131 0.000 0.714 298 K HN 0.226 nan 8.250 nan 0.000 0.440 299 I N 1.017 121.452 120.570 -0.225 0.000 2.179 299 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 299 I C 2.516 178.461 176.117 -0.287 0.000 1.088 299 I CA 1.133 62.254 61.300 -0.298 0.000 1.357 299 I CB -0.381 37.300 38.000 -0.531 0.000 1.051 299 I HN 0.144 nan 8.210 nan 0.000 0.409 300 A N 0.778 123.394 122.820 -0.339 0.000 1.902 300 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 300 A C 2.515 180.138 177.584 0.065 0.000 1.181 300 A CA 2.294 54.248 52.037 -0.139 0.000 0.623 300 A CB -0.899 18.079 19.000 -0.036 0.000 0.818 300 A HN 0.537 nan 8.150 nan 0.000 0.443 301 S N -0.107 115.597 115.700 0.007 0.000 2.383 301 S HA -0.075 4.395 4.470 -0.000 0.000 0.227 301 S C 1.908 176.525 174.600 0.028 0.000 1.026 301 S CA 1.381 59.594 58.200 0.021 0.000 0.981 301 S CB -0.677 62.517 63.200 -0.009 0.000 0.818 301 S HN 0.446 nan 8.310 nan 0.000 0.472 302 L N 1.273 122.492 121.223 -0.006 0.000 2.027 302 L HA -0.001 4.339 4.340 -0.000 0.000 0.206 302 L C 3.249 180.151 176.870 0.054 0.000 1.074 302 L CA 1.217 56.065 54.840 0.014 0.000 0.745 302 L CB -0.873 41.169 42.059 -0.027 0.000 0.898 302 L HN 0.480 nan 8.230 nan 0.000 0.433 303 A N -0.316 122.519 122.820 0.025 0.000 1.902 303 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 303 A C 2.262 179.920 177.584 0.123 0.000 1.181 303 A CA 1.881 53.946 52.037 0.045 0.000 0.623 303 A CB -0.533 18.455 19.000 -0.020 0.000 0.818 303 A HN 0.498 nan 8.150 nan 0.000 0.443 304 E N -0.980 119.317 120.200 0.162 0.000 2.051 304 E HA -0.312 4.038 4.350 -0.000 0.000 0.192 304 E C 1.898 178.508 176.600 0.015 0.000 0.991 304 E CA 1.574 57.991 56.400 0.028 0.000 0.799 304 E CB -0.336 29.308 29.700 -0.093 0.000 0.748 304 E HN 0.778 nan 8.360 nan 0.000 0.449 305 H N -0.168 118.882 119.070 -0.034 0.000 2.387 305 H HA -0.032 4.524 4.556 -0.000 0.000 0.299 305 H C 1.536 176.845 175.328 -0.032 0.000 1.099 305 H CA 1.943 57.970 56.048 -0.036 0.000 1.315 305 H CB -0.128 29.617 29.762 -0.029 0.000 1.380 305 H HN 0.238 nan 8.280 nan 0.000 0.513 306 A N -0.685 122.130 122.820 -0.008 0.000 2.238 306 A HA 0.273 4.593 4.320 -0.000 0.000 0.208 306 A C 1.931 179.469 177.584 -0.077 0.000 1.177 306 A CA 0.813 52.814 52.037 -0.059 0.000 0.804 306 A CB -0.823 18.173 19.000 -0.006 0.000 0.823 306 A HN 0.746 nan 8.150 nan 0.000 0.482 307 G N -0.976 107.781 108.800 -0.073 0.000 2.160 307 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.251 307 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.251 307 G C 0.151 175.022 174.900 -0.048 0.000 1.008 307 G CA 0.570 45.627 45.100 -0.072 0.000 0.724 307 G HN 0.459 nan 8.290 nan 0.000 0.514 308 L N -1.022 120.190 121.223 -0.018 0.000 2.469 308 L HA 0.704 5.044 4.340 -0.000 0.000 0.253 308 L C 1.281 178.142 176.870 -0.015 0.000 1.143 308 L CA -0.793 54.017 54.840 -0.051 0.000 0.804 308 L CB 0.648 42.670 42.059 -0.062 0.000 1.214 308 L HN 0.140 nan 8.230 nan 0.000 0.476 309 M N 0.996 120.489 119.600 -0.178 0.000 2.598 309 M HA 0.444 4.924 4.480 -0.000 0.000 0.317 309 M C -1.155 175.024 176.300 -0.202 0.000 1.201 309 M CA -0.738 54.445 55.300 -0.195 0.000 0.971 309 M CB 2.281 34.495 32.600 -0.644 0.000 1.657 309 M HN 0.244 nan 8.290 nan 0.000 0.470 310 L N 1.583 122.702 121.223 -0.174 0.000 2.346 310 L HA 0.797 5.137 4.340 -0.000 0.000 0.276 310 L C -0.981 175.933 176.870 0.073 0.000 1.006 310 L CA 0.016 54.697 54.840 -0.265 0.000 0.817 310 L CB 1.893 43.452 42.059 -0.834 0.000 1.272 310 L HN 0.809 nan 8.230 nan 0.000 0.421 311 A N 5.261 128.092 122.820 0.019 0.000 3.156 311 A HA 0.632 4.952 4.320 -0.000 0.000 0.311 311 A C -2.666 174.929 177.584 0.018 0.000 1.129 311 A CA -1.122 50.953 52.037 0.063 0.000 0.809 311 A CB -0.130 18.703 19.000 -0.278 0.000 1.257 311 A HN 0.487 nan 8.150 nan 0.000 0.491 312 P HA -0.053 nan 4.420 nan 0.000 0.265 312 P C -0.286 176.980 177.300 -0.057 0.000 1.187 312 P CA 0.615 63.624 63.100 -0.150 0.000 0.766 312 P CB 0.202 31.691 31.700 -0.353 0.000 0.820 313 H N 4.956 123.954 119.070 -0.120 0.000 2.489 313 H HA 0.269 4.825 4.556 -0.000 0.000 0.322 313 H C 0.403 175.940 175.328 0.349 0.000 1.091 313 H CA -0.362 55.766 56.048 0.134 0.000 1.291 313 H CB 0.096 29.945 29.762 0.144 0.000 1.436 313 H HN 0.324 nan 8.280 nan 0.000 0.480 314 F N 2.344 121.994 119.950 -0.501 0.000 2.183 314 F HA -0.350 4.177 4.527 -0.000 0.000 0.318 314 F C 0.576 176.373 175.800 -0.005 0.000 0.129 314 F CA 1.484 59.195 58.000 -0.482 0.000 0.912 314 F CB -1.216 37.340 39.000 -0.741 0.000 4.135 314 F HN 0.903 nan 8.300 nan 0.000 0.137 315 A N 1.299 123.687 122.820 -0.720 0.000 1.991 315 A HA -0.189 4.131 4.320 -0.000 0.000 0.257 315 A C 1.359 178.810 177.584 -0.221 0.000 1.283 315 A CA 1.701 53.478 52.037 -0.434 0.000 0.762 315 A CB -1.673 17.298 19.000 -0.048 0.000 1.135 315 A HN 1.484 nan 8.150 nan 0.000 0.321 316 M N -1.238 118.226 119.600 -0.227 0.000 2.202 316 M HA -0.181 4.299 4.480 -0.000 0.000 0.262 316 M C 1.307 177.543 176.300 -0.107 0.000 1.063 316 M CA 2.333 57.569 55.300 -0.107 0.000 1.097 316 M CB -0.536 31.974 32.600 -0.149 0.000 1.382 316 M HN 0.437 nan 8.290 nan 0.000 0.413 317 E N 1.330 121.453 120.200 -0.127 0.000 2.171 317 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 317 E C 1.885 178.470 176.600 -0.026 0.000 0.997 317 E CA 1.545 57.882 56.400 -0.104 0.000 0.810 317 E CB -0.313 29.277 29.700 -0.183 0.000 0.738 317 E HN 0.579 nan 8.360 nan 0.000 0.467 318 L N -0.782 120.393 121.223 -0.080 0.000 2.269 318 L HA 0.082 4.422 4.340 -0.000 0.000 0.200 318 L C 1.681 178.442 176.870 -0.181 0.000 1.069 318 L CA 1.434 56.179 54.840 -0.158 0.000 0.804 318 L CB -0.427 41.405 42.059 -0.378 0.000 0.987 318 L HN 0.098 nan 8.230 nan 0.000 0.468 319 H N -0.736 118.274 119.070 -0.099 0.000 2.489 319 H HA -0.062 4.494 4.556 -0.000 0.000 0.293 319 H C 2.396 177.677 175.328 -0.079 0.000 1.066 319 H CA 1.490 57.461 56.048 -0.130 0.000 1.305 319 H CB -0.429 29.294 29.762 -0.065 0.000 1.386 319 H HN 0.301 nan 8.280 nan 0.000 0.551 320 V N 1.014 120.932 119.914 0.007 0.000 2.427 320 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 320 V C 2.274 178.293 176.094 -0.125 0.000 1.051 320 V CA 1.677 63.933 62.300 -0.074 0.000 1.048 320 V CB -0.291 31.431 31.823 -0.169 0.000 0.666 320 V HN 0.476 nan 8.190 nan 0.000 0.456 321 H N -0.351 118.694 119.070 -0.041 0.000 2.363 321 H HA -0.014 4.542 4.556 -0.000 0.000 0.301 321 H C 2.280 177.582 175.328 -0.043 0.000 1.074 321 H CA 2.006 58.025 56.048 -0.048 0.000 1.354 321 H CB -0.072 29.638 29.762 -0.086 0.000 1.397 321 H HN 0.389 nan 8.280 nan 0.000 0.516 322 L N 0.142 121.383 121.223 0.030 0.000 2.093 322 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 322 L C 2.909 179.857 176.870 0.130 0.000 1.085 322 L CA 0.815 55.644 54.840 -0.017 0.000 0.755 322 L CB -0.472 41.386 42.059 -0.335 0.000 0.904 322 L HN 0.180 nan 8.230 nan 0.000 0.435 323 A N 0.274 123.165 122.820 0.118 0.000 1.933 323 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 323 A C 2.508 180.201 177.584 0.182 0.000 1.175 323 A CA 1.582 53.715 52.037 0.159 0.000 0.628 323 A CB -0.620 18.454 19.000 0.123 0.000 0.814 323 A HN 0.383 nan 8.150 nan 0.000 0.444 324 A N -0.548 122.349 122.820 0.128 0.000 2.070 324 A HA 0.252 4.572 4.320 -0.000 0.000 0.220 324 A C 2.150 179.863 177.584 0.215 0.000 1.159 324 A CA 1.676 53.793 52.037 0.132 0.000 0.656 324 A CB -0.572 18.466 19.000 0.063 0.000 0.800 324 A HN 1.045 nan 8.150 nan 0.000 0.453 325 A N -2.380 120.580 122.820 0.233 0.000 2.275 325 A HA 0.350 4.670 4.320 -0.000 0.000 0.212 325 A C 0.508 178.356 177.584 0.440 0.000 1.201 325 A CA -0.199 52.007 52.037 0.281 0.000 0.843 325 A CB -0.292 18.805 19.000 0.161 0.000 0.873 325 A HN 0.444 nan 8.150 nan 0.000 0.492 326 Y N 0.479 120.912 120.300 0.222 0.000 2.304 326 Y HA 0.379 4.929 4.550 -0.000 0.000 0.328 326 Y C -1.831 173.964 175.900 -0.174 0.000 1.123 326 Y CA -2.105 56.044 58.100 0.082 0.000 1.218 326 Y CB 1.223 39.719 38.460 0.060 0.000 1.207 326 Y HN 0.060 nan 8.280 nan 0.000 0.495 327 P HA -0.128 nan 4.420 nan 0.000 0.215 327 P C -0.418 176.465 177.300 -0.695 0.000 1.157 327 P CA 1.718 64.043 63.100 -1.291 0.000 0.868 327 P CB 0.245 31.368 31.700 -0.962 0.000 0.788 328 R N 0.367 120.605 120.500 -0.437 0.000 2.368 328 R HA 0.195 4.535 4.340 -0.000 0.000 0.302 328 R C 0.127 176.484 176.300 0.093 0.000 1.002 328 R CA -0.792 55.244 56.100 -0.108 0.000 0.929 328 R CB 0.388 30.671 30.300 -0.028 0.000 1.073 328 R HN -0.055 nan 8.270 nan 0.000 0.464 329 E N 4.844 125.068 120.200 0.040 0.000 3.102 329 E HA -0.074 4.276 4.350 -0.000 0.000 0.235 329 E C -2.048 174.625 176.600 0.122 0.000 0.995 329 E CA -0.308 56.119 56.400 0.045 0.000 0.950 329 E CB 0.239 29.933 29.700 -0.011 0.000 0.905 329 E HN 0.226 nan 8.360 nan 0.000 0.553 330 P HA 0.387 nan 4.420 nan 0.000 0.289 330 P C -1.087 176.293 177.300 0.133 0.000 1.300 330 P CA -0.777 62.449 63.100 0.211 0.000 0.828 330 P CB 0.650 32.457 31.700 0.179 0.000 1.235 331 W N -0.960 120.488 121.300 0.247 0.000 2.819 331 W HA 0.515 5.175 4.660 -0.000 0.000 0.337 331 W C -1.101 175.610 176.519 0.321 0.000 1.077 331 W CA -0.316 57.208 57.345 0.298 0.000 1.226 331 W CB 2.176 31.859 29.460 0.372 0.000 1.419 331 W HN -0.021 nan 8.180 nan 0.000 0.502 332 V N 1.930 122.181 119.914 0.561 0.000 2.656 332 V HA 0.281 4.401 4.120 -0.000 0.000 0.307 332 V C -0.415 175.789 176.094 0.182 0.000 1.051 332 V CA -1.282 61.224 62.300 0.343 0.000 0.893 332 V CB 1.724 33.654 31.823 0.178 0.000 0.999 332 V HN 0.528 nan 8.190 nan 0.000 0.426 333 E N 3.236 123.401 120.200 -0.059 0.000 2.313 333 E HA 0.182 4.532 4.350 -0.000 0.000 0.276 333 E C -0.611 175.819 176.600 -0.284 0.000 1.031 333 E CA -0.490 55.528 56.400 -0.637 0.000 0.857 333 E CB 0.645 30.030 29.700 -0.524 0.000 1.040 333 E HN 0.791 nan 8.360 nan 0.000 0.408 334 H N 5.812 124.607 119.070 -0.460 0.000 2.640 334 H HA 0.219 4.775 4.556 -0.000 0.000 0.297 334 H C -1.533 173.546 175.328 -0.415 0.000 1.073 334 H CA -0.249 55.621 56.048 -0.296 0.000 1.305 334 H CB -0.082 29.546 29.762 -0.224 0.000 1.404 334 H HN 0.450 nan 8.280 nan 0.000 0.459 335 F N 3.388 122.985 119.950 -0.587 0.000 2.522 335 F HA 0.137 4.664 4.527 0.000 0.000 0.324 335 F C 1.317 176.817 175.800 -0.499 0.000 1.077 335 F CA -0.592 57.070 58.000 -0.562 0.000 0.944 335 F CB 1.913 40.457 39.000 -0.761 0.000 1.175 335 F HN 0.568 nan 8.300 nan 0.000 0.468 336 E N 1.269 121.467 120.200 -0.003 0.000 2.476 336 E HA -0.039 4.311 4.350 -0.000 0.000 0.199 336 E C 1.287 178.049 176.600 0.270 0.000 1.021 336 E CA 0.245 56.708 56.400 0.105 0.000 0.907 336 E CB -0.249 29.569 29.700 0.196 0.000 0.974 336 E HN 0.638 nan 8.360 nan 0.000 0.489 337 W N 2.026 123.375 121.300 0.082 0.000 2.304 337 W HA -0.101 4.559 4.660 0.000 0.000 0.315 337 W C 2.082 178.579 176.519 -0.037 0.000 1.233 337 W CA 0.887 58.254 57.345 0.037 0.000 1.261 337 W CB -1.058 28.439 29.460 0.062 0.000 1.150 337 W HN 0.071 nan 8.180 nan 0.000 0.494 338 L N -0.193 121.111 121.223 0.135 0.000 2.554 338 L HA 0.010 4.350 4.340 -0.000 0.000 0.226 338 L C 1.987 178.904 176.870 0.079 0.000 1.137 338 L CA 0.458 55.320 54.840 0.036 0.000 0.863 338 L CB -0.793 41.243 42.059 -0.039 0.000 0.985 338 L HN 0.034 nan 8.230 nan 0.000 0.451 339 E N 1.344 121.619 120.200 0.126 0.000 2.114 339 E HA -0.217 4.133 4.350 -0.000 0.000 0.199 339 E C -0.680 175.992 176.600 0.120 0.000 1.008 339 E CA 1.487 57.979 56.400 0.154 0.000 0.810 339 E CB -0.902 28.872 29.700 0.123 0.000 0.739 339 E HN 0.480 nan 8.360 nan 0.000 0.456 340 P HA -0.112 nan 4.420 nan 0.000 0.234 340 P C 1.045 178.361 177.300 0.027 0.000 1.167 340 P CA 1.003 64.174 63.100 0.118 0.000 0.763 340 P CB 0.002 31.861 31.700 0.266 0.000 0.835 341 L N -2.438 118.701 121.223 -0.139 0.000 2.446 341 L HA 0.136 4.476 4.340 -0.000 0.000 0.219 341 L C 0.755 177.207 176.870 -0.696 0.000 1.116 341 L CA 0.462 55.043 54.840 -0.431 0.000 0.844 341 L CB -0.303 41.370 42.059 -0.644 0.000 0.970 341 L HN -0.151 nan 8.230 nan 0.000 0.457 342 F N -1.604 118.357 119.950 0.020 0.000 2.598 342 F HA 0.306 4.833 4.527 0.000 0.000 0.327 342 F C 1.026 176.823 175.800 -0.004 0.000 1.057 342 F CA -1.015 56.979 58.000 -0.010 0.000 0.957 342 F CB 0.913 39.913 39.000 -0.000 0.000 1.278 342 F HN -0.267 nan 8.300 nan 0.000 0.484 343 N N -0.687 118.132 118.700 0.200 0.000 2.392 343 N HA 0.026 4.766 4.740 -0.000 0.000 0.177 343 N C -0.561 175.009 175.510 0.100 0.000 1.066 343 N CA 0.172 53.285 53.050 0.105 0.000 0.895 343 N CB 0.250 38.778 38.487 0.067 0.000 0.988 343 N HN 0.505 nan 8.380 nan 0.000 0.457 344 E N 0.468 120.740 120.200 0.120 0.000 2.250 344 E HA 0.380 4.730 4.350 -0.000 0.000 0.265 344 E C -0.187 176.461 176.600 0.080 0.000 1.033 344 E CA -0.342 56.102 56.400 0.073 0.000 0.888 344 E CB 1.021 30.743 29.700 0.037 0.000 1.151 344 E HN -0.053 nan 8.360 nan 0.000 0.412 345 R N 0.627 121.159 120.500 0.053 0.000 2.795 345 R HA 0.486 4.826 4.340 -0.000 0.000 0.275 345 R C -0.748 175.571 176.300 0.031 0.000 0.981 345 R CA -1.056 55.076 56.100 0.053 0.000 0.917 345 R CB 1.195 31.532 30.300 0.062 0.000 1.202 345 R HN 0.422 nan 8.270 nan 0.000 0.469 346 I N 1.227 121.815 120.570 0.029 0.000 2.428 346 I HA 0.154 4.324 4.170 -0.000 0.000 0.289 346 I C 0.744 176.895 176.117 0.056 0.000 1.019 346 I CA -0.004 61.309 61.300 0.022 0.000 1.351 346 I CB 0.839 38.839 38.000 0.000 0.000 1.412 346 I HN 0.393 nan 8.210 nan 0.000 0.513 347 E N 6.633 126.851 120.200 0.030 0.000 2.197 347 E HA 0.567 4.917 4.350 -0.000 0.000 0.281 347 E C -1.040 175.572 176.600 0.019 0.000 0.995 347 E CA -0.572 55.843 56.400 0.025 0.000 0.808 347 E CB 0.932 30.637 29.700 0.009 0.000 1.093 347 E HN 0.529 nan 8.360 nan 0.000 0.394 348 I N 1.414 121.988 120.570 0.006 0.000 2.569 348 I HA 0.657 4.827 4.170 -0.000 0.000 0.296 348 I C -0.747 175.351 176.117 -0.032 0.000 1.028 348 I CA -1.024 60.264 61.300 -0.021 0.000 1.082 348 I CB 1.939 39.896 38.000 -0.073 0.000 1.264 348 I HN 0.383 nan 8.210 nan 0.000 0.429 349 R N 4.631 125.112 120.500 -0.031 0.000 2.522 349 R HA 0.179 4.519 4.340 -0.000 0.000 0.273 349 R C -1.442 174.840 176.300 -0.030 0.000 1.133 349 R CA -0.316 55.767 56.100 -0.029 0.000 0.969 349 R CB 1.288 31.576 30.300 -0.021 0.000 1.235 349 R HN 0.925 nan 8.270 nan 0.000 0.433 350 D N 3.525 123.908 120.400 -0.029 0.000 2.737 350 D HA -0.180 4.460 4.640 -0.000 0.000 0.238 350 D C 0.721 177.004 176.300 -0.028 0.000 1.157 350 D CA 1.919 55.903 54.000 -0.026 0.000 0.694 350 D CB -0.947 39.839 40.800 -0.024 0.000 1.021 350 D HN 1.102 nan 8.370 nan 0.000 0.420 351 G N -0.135 108.650 108.800 -0.024 0.000 2.189 351 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.267 351 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.267 351 G C 0.348 175.230 174.900 -0.031 0.000 0.975 351 G CA 0.748 45.841 45.100 -0.011 0.000 0.644 351 G HN 0.565 nan 8.290 nan 0.000 0.537 352 R N -0.870 119.606 120.500 -0.039 0.000 2.750 352 R HA 0.654 4.994 4.340 -0.000 0.000 0.281 352 R C -0.158 176.127 176.300 -0.024 0.000 0.972 352 R CA -0.965 55.107 56.100 -0.046 0.000 0.912 352 R CB 1.369 31.633 30.300 -0.060 0.000 1.187 352 R HN 0.213 nan 8.270 nan 0.000 0.464 353 M N 2.567 122.160 119.600 -0.013 0.000 2.188 353 M HA 0.207 4.687 4.480 -0.000 0.000 0.357 353 M C -0.608 175.677 176.300 -0.024 0.000 1.204 353 M CA -0.940 54.361 55.300 0.001 0.000 1.095 353 M CB 1.133 33.745 32.600 0.019 0.000 1.604 353 M HN 0.257 nan 8.290 nan 0.000 0.464 354 L N 5.120 126.329 121.223 -0.025 0.000 2.331 354 L HA 0.293 4.633 4.340 -0.000 0.000 0.278 354 L C -0.665 176.163 176.870 -0.069 0.000 1.106 354 L CA -0.068 54.750 54.840 -0.036 0.000 0.824 354 L CB 1.061 43.106 42.059 -0.023 0.000 1.142 354 L HN 0.403 nan 8.230 nan 0.000 0.443 355 V N 7.786 127.650 119.914 -0.084 0.000 2.439 355 V HA 0.197 4.317 4.120 -0.000 0.000 0.271 355 V C -1.809 174.214 176.094 -0.117 0.000 1.040 355 V CA -1.272 60.932 62.300 -0.159 0.000 1.002 355 V CB 0.243 31.992 31.823 -0.122 0.000 1.000 355 V HN 0.785 nan 8.190 nan 0.000 0.477 356 P HA 0.031 nan 4.420 nan 0.000 0.264 356 P C 0.841 178.183 177.300 0.070 0.000 1.179 356 P CA 0.355 63.450 63.100 -0.008 0.000 0.763 356 P CB 0.392 32.124 31.700 0.054 0.000 0.806 357 T N -0.688 113.900 114.554 0.057 0.000 3.054 357 T HA 0.110 4.460 4.350 -0.000 0.000 0.255 357 T C 0.668 175.404 174.700 0.061 0.000 1.035 357 T CA -0.442 61.694 62.100 0.060 0.000 0.941 357 T CB -0.097 68.791 68.868 0.033 0.000 1.026 357 T HN 0.405 nan 8.240 nan 0.000 0.533 358 R N 0.967 121.505 120.500 0.064 0.000 2.577 358 R HA 0.506 4.846 4.340 -0.000 0.000 0.269 358 R C -2.950 173.377 176.300 0.044 0.000 1.084 358 R CA -1.805 54.323 56.100 0.048 0.000 1.163 358 R CB -0.735 29.589 30.300 0.040 0.000 1.100 358 R HN -0.066 nan 8.270 nan 0.000 0.547 359 P HA -0.045 nan 4.420 nan 0.000 0.263 359 P C 0.424 177.723 177.300 -0.001 0.000 1.175 359 P CA 1.764 64.878 63.100 0.022 0.000 0.761 359 P CB 0.439 32.158 31.700 0.032 0.000 0.794 360 G N 2.364 111.150 108.800 -0.025 0.000 2.596 360 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.295 360 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.295 360 G C 0.857 175.632 174.900 -0.207 0.000 1.240 360 G CA 0.199 45.257 45.100 -0.070 0.000 0.985 360 G HN 0.499 nan 8.290 nan 0.000 0.555 361 L N 2.064 123.181 121.223 -0.175 0.000 2.376 361 L HA 0.280 4.620 4.340 -0.000 0.000 0.219 361 L C 2.391 179.224 176.870 -0.062 0.000 1.133 361 L CA 1.150 55.855 54.840 -0.225 0.000 0.816 361 L CB -0.634 41.364 42.059 -0.102 0.000 0.933 361 L HN 2.002 nan 8.230 nan 0.000 0.449 362 G N 0.870 109.652 108.800 -0.030 0.000 2.198 362 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 362 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 362 G C -0.143 174.743 174.900 -0.024 0.000 1.042 362 G CA 0.067 45.173 45.100 0.010 0.000 0.791 362 G HN 0.265 nan 8.290 nan 0.000 0.502 363 L N 0.063 121.259 121.223 -0.046 0.000 2.370 363 L HA 0.881 5.221 4.340 -0.000 0.000 0.266 363 L C 0.306 177.206 176.870 0.050 0.000 1.002 363 L CA -0.470 54.321 54.840 -0.081 0.000 0.818 363 L CB 2.637 44.493 42.059 -0.338 0.000 1.325 363 L HN 0.386 nan 8.230 nan 0.000 0.418 364 T N -0.484 114.148 114.554 0.131 0.000 2.952 364 T HA 0.556 4.906 4.350 -0.000 0.000 0.305 364 T C -0.553 174.246 174.700 0.164 0.000 1.064 364 T CA -0.820 61.354 62.100 0.123 0.000 1.008 364 T CB 1.122 70.033 68.868 0.071 0.000 1.078 364 T HN 0.336 nan 8.240 nan 0.000 0.459 365 L N 3.365 124.615 121.223 0.046 0.000 2.490 365 L HA 0.360 4.700 4.340 -0.000 0.000 0.274 365 L C 1.414 178.238 176.870 -0.077 0.000 1.201 365 L CA -0.487 54.289 54.840 -0.106 0.000 0.869 365 L CB 0.459 42.359 42.059 -0.264 0.000 1.123 365 L HN 1.002 nan 8.230 nan 0.000 0.484 366 S N 1.318 116.948 115.700 -0.117 0.000 2.681 366 S HA 0.285 4.755 4.470 -0.000 0.000 0.270 366 S C 1.132 175.655 174.600 -0.128 0.000 1.209 366 S CA -0.261 57.884 58.200 -0.091 0.000 0.988 366 S CB 1.457 64.602 63.200 -0.092 0.000 1.006 366 S HN 0.749 nan 8.310 nan 0.000 0.558 367 G N -0.284 108.444 108.800 -0.119 0.000 2.598 367 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.215 367 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.215 367 G C 1.024 175.799 174.900 -0.208 0.000 1.131 367 G CA 0.171 45.190 45.100 -0.134 0.000 0.785 367 G HN 0.701 nan 8.290 nan 0.000 0.539 368 Q N 0.004 119.634 119.800 -0.283 0.000 2.311 368 Q HA 0.096 4.436 4.340 -0.000 0.000 0.203 368 Q C 2.563 178.251 176.000 -0.520 0.000 0.954 368 Q CA 0.337 55.829 55.803 -0.518 0.000 0.885 368 Q CB -0.085 28.252 28.738 -0.669 0.000 0.963 368 Q HN 0.342 nan 8.270 nan 0.000 0.471 369 V N 0.763 120.523 119.914 -0.257 0.000 2.332 369 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 369 V C 2.149 178.219 176.094 -0.040 0.000 1.055 369 V CA 1.881 64.132 62.300 -0.083 0.000 1.038 369 V CB -0.448 31.292 31.823 -0.139 0.000 0.651 369 V HN 0.245 nan 8.190 nan 0.000 0.450 370 K N 0.931 121.274 120.400 -0.095 0.000 2.032 370 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 370 K C 2.120 178.689 176.600 -0.051 0.000 1.048 370 K CA 1.794 58.052 56.287 -0.049 0.000 0.927 370 K CB -0.793 31.669 32.500 -0.063 0.000 0.712 370 K HN 0.421 nan 8.250 nan 0.000 0.441 371 A N -0.347 122.373 122.820 -0.167 0.000 1.933 371 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 371 A C 1.427 179.014 177.584 0.004 0.000 1.175 371 A CA 1.456 53.389 52.037 -0.174 0.000 0.628 371 A CB -0.736 18.031 19.000 -0.387 0.000 0.814 371 A HN 0.503 nan 8.150 nan 0.000 0.444 372 W N 0.434 121.748 121.300 0.022 0.000 3.290 372 W HA 0.227 4.887 4.660 -0.000 0.000 0.287 372 W C -0.214 176.357 176.519 0.086 0.000 1.288 372 W CA -0.080 57.294 57.345 0.048 0.000 1.725 372 W CB -1.148 28.345 29.460 0.055 0.000 1.103 372 W HN 0.046 nan 8.180 nan 0.000 0.670 373 T N 1.767 116.469 114.554 0.247 0.000 2.737 373 T HA 0.185 4.535 4.350 -0.000 0.000 0.296 373 T C 1.305 176.067 174.700 0.103 0.000 0.922 373 T CA -0.031 62.179 62.100 0.183 0.000 1.079 373 T CB 1.269 70.215 68.868 0.130 0.000 0.892 373 T HN 0.034 nan 8.240 nan 0.000 0.514 374 R N 1.662 122.212 120.500 0.084 0.000 2.223 374 R HA 0.187 4.527 4.340 -0.000 0.000 0.198 374 R C 0.423 176.653 176.300 -0.117 0.000 0.984 374 R CA 0.518 56.593 56.100 -0.041 0.000 1.018 374 R CB 0.633 30.836 30.300 -0.162 0.000 0.945 374 R HN 0.620 nan 8.270 nan 0.000 0.479 375 E N 0.373 120.452 120.200 -0.201 0.000 2.366 375 E HA 0.171 4.521 4.350 -0.000 0.000 0.278 375 E C -1.272 175.126 176.600 -0.338 0.000 0.923 375 E CA -0.551 55.592 56.400 -0.429 0.000 0.761 375 E CB 2.612 31.674 29.700 -1.064 0.000 1.231 375 E HN 0.122 nan 8.360 nan 0.000 0.443 376 E N 0.384 120.557 120.200 -0.045 0.000 2.430 376 E HA 0.859 5.209 4.350 -0.000 0.000 0.279 376 E C -1.594 175.236 176.600 0.385 0.000 1.003 376 E CA -1.250 55.296 56.400 0.244 0.000 0.801 376 E CB 2.046 31.841 29.700 0.159 0.000 1.313 376 E HN 0.480 nan 8.360 nan 0.000 0.459 377 A N 1.105 124.117 122.820 0.321 0.000 2.590 377 A HA 0.523 4.843 4.320 -0.000 0.000 0.296 377 A C -1.689 175.948 177.584 0.088 0.000 1.050 377 A CA -0.579 51.578 52.037 0.200 0.000 0.697 377 A CB 1.729 20.840 19.000 0.184 0.000 1.277 377 A HN 0.773 nan 8.150 nan 0.000 0.411 378 Q N 0.136 119.969 119.800 0.054 0.000 2.511 378 Q HA 0.882 5.222 4.340 -0.000 0.000 0.289 378 Q C -1.699 174.293 176.000 -0.014 0.000 1.021 378 Q CA -0.995 54.781 55.803 -0.045 0.000 0.785 378 Q CB 2.192 30.965 28.738 0.057 0.000 1.472 378 Q HN 1.764 nan 8.270 nan 0.000 0.411 379 V N -0.407 119.454 119.914 -0.089 0.000 3.216 379 V HA 0.820 4.940 4.120 -0.000 0.000 0.302 379 V C -0.288 175.852 176.094 0.077 0.000 1.286 379 V CA 0.689 62.991 62.300 0.003 0.000 1.048 379 V CB 1.575 33.372 31.823 -0.042 0.000 1.081 379 V HN 1.494 nan 8.190 nan 0.000 0.442 380 G N 3.097 111.976 108.800 0.133 0.000 2.725 380 G HA2 0.029 3.989 3.960 -0.000 0.000 0.220 380 G HA3 0.029 3.989 3.960 -0.000 0.000 0.220 380 G C -0.331 174.751 174.900 0.304 0.000 1.357 380 G CA -0.105 45.110 45.100 0.192 0.000 0.866 380 G HN 1.459 nan 8.290 nan 0.000 0.548 381 T N 0.947 115.648 114.554 0.245 0.000 2.887 381 T HA 0.719 5.069 4.350 -0.000 0.000 0.288 381 T C 0.599 175.324 174.700 0.042 0.000 1.021 381 T CA -0.664 61.517 62.100 0.135 0.000 1.000 381 T CB 1.684 70.588 68.868 0.061 0.000 1.034 381 T HN 0.747 nan 8.240 nan 0.000 0.467 382 R N 0.000 120.389 120.500 -0.186 0.000 2.786 382 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 382 R CA 0.000 55.910 56.100 -0.318 0.000 0.921 382 R CB 0.000 29.890 30.300 -0.684 0.000 0.687 382 R HN 0.000 nan 8.270 nan 0.000 0.535