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 2jbv_1_A DATA FIRST_RESID 1 DATA SEQUENCE MHIDNIENLS DREFDYIVVG GGSAGAAVAA RLSEDPAVSV ALVEAGPDDR DATA SEQUENCE GVPEVLQLDR WMELLESGYD WDYPIEPQEN GNSFMRHARA KVMGGCSSHN DATA SEQUENCE SCIAFWAPRE DLDEWEAKYG ATGWNAEAAW PLYKRLETNE DAGPDAPHHG DATA SEQUENCE DSGPVHLMNV PPKDPTGVAL LDACEQAGIP RAKFNTGTTV VNGANFFQIN DATA SEQUENCE RRADGTRSSS SVSYIHPIVE QENFTLLTGL RARQLVFDAD RRCTGVDIVD DATA SEQUENCE SAFGHTHRLT ARNEVVLSTG AIDTPKLLML SGIGPAAHLA EHGIEVLVDS DATA SEQUENCE PGVGEHLQDH PEGVVQFEAK QPMVAESTQW WEIGIFTPTE DGLDRPDLMM DATA SEQUENCE HYGSVPFDMN TLRHGYPTTE NGFSLTPNVT HARSRGTVRL RSRDFRDKPM DATA SEQUENCE VDPRYFTDPE GHDMRVMVAG IRKAREIAAQ PAMAEWTGRE LSPGVEAQTD DATA SEQUENCE EELQDYIRKT HNTVYHPVGT VRMGAVEDEM SPLDPELRVK GVTGLRVADA DATA SEQUENCE SVMPEHVTVN PNITVMMIGE RCADLIR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.360 176.300 0.100 0.000 1.140 1 M CA 0.000 55.360 55.300 0.100 0.000 0.988 1 M CB 0.000 32.637 32.600 0.061 0.000 1.302 2 H N 3.444 122.518 119.070 0.006 0.000 2.556 2 H HA 0.655 5.211 4.556 0.000 0.000 0.310 2 H C -1.547 173.768 175.328 -0.020 0.000 1.057 2 H CA -0.747 55.295 56.048 -0.010 0.000 1.264 2 H CB 0.817 30.590 29.762 0.019 0.000 1.404 2 H HN 0.642 nan 8.280 nan 0.000 0.462 3 I N 5.714 126.195 120.570 -0.149 0.000 2.312 3 I HA 0.110 4.280 4.170 0.000 0.000 0.290 3 I C 0.256 176.148 176.117 -0.374 0.000 1.008 3 I CA -0.423 60.734 61.300 -0.239 0.000 1.226 3 I CB 1.292 39.230 38.000 -0.103 0.000 1.371 3 I HN 0.747 nan 8.210 nan 0.000 0.468 4 D N 3.202 123.341 120.400 -0.436 0.000 2.433 4 D HA 0.017 4.657 4.640 0.000 0.000 0.211 4 D C 0.310 176.523 176.300 -0.144 0.000 1.114 4 D CA 0.038 53.866 54.000 -0.286 0.000 0.837 4 D CB 0.219 40.829 40.800 -0.315 0.000 0.984 4 D HN 0.294 nan 8.370 nan 0.000 0.505 5 N N 0.850 119.466 118.700 -0.140 0.000 2.573 5 N HA 0.158 4.898 4.740 0.000 0.000 0.262 5 N C 0.261 175.698 175.510 -0.122 0.000 1.029 5 N CA -0.600 52.388 53.050 -0.103 0.000 0.882 5 N CB 1.126 39.566 38.487 -0.078 0.000 1.204 5 N HN -0.066 nan 8.380 nan 0.000 0.519 6 I N 3.123 123.597 120.570 -0.160 0.000 2.423 6 I HA -0.162 4.008 4.170 0.000 0.000 0.254 6 I C 1.468 177.427 176.117 -0.263 0.000 1.151 6 I CA 1.633 62.787 61.300 -0.243 0.000 1.421 6 I CB 0.069 37.830 38.000 -0.398 0.000 1.079 6 I HN 0.610 nan 8.210 nan 0.000 0.431 7 E N 0.109 120.185 120.200 -0.206 0.000 2.265 7 E HA -0.181 4.169 4.350 0.000 0.000 0.196 7 E C 1.135 177.693 176.600 -0.070 0.000 0.996 7 E CA 0.874 57.208 56.400 -0.110 0.000 0.832 7 E CB -0.228 29.448 29.700 -0.040 0.000 0.756 7 E HN 0.591 nan 8.360 nan 0.000 0.491 8 N N 0.440 119.096 118.700 -0.074 0.000 2.280 8 N HA 0.010 4.750 4.740 0.000 0.000 0.192 8 N C -0.040 175.443 175.510 -0.045 0.000 1.109 8 N CA 0.044 53.063 53.050 -0.052 0.000 0.855 8 N CB 0.337 38.794 38.487 -0.050 0.000 0.974 8 N HN 0.073 nan 8.380 nan 0.000 0.482 9 L N 1.196 122.388 121.223 -0.052 0.000 2.325 9 L HA 0.198 4.538 4.340 0.000 0.000 0.284 9 L C 1.057 177.914 176.870 -0.022 0.000 1.089 9 L CA 0.343 55.167 54.840 -0.025 0.000 0.836 9 L CB 0.738 42.794 42.059 -0.004 0.000 1.184 9 L HN -0.128 nan 8.230 nan 0.000 0.444 10 S N 2.007 117.692 115.700 -0.026 0.000 2.427 10 S HA 0.049 4.519 4.470 0.000 0.000 0.224 10 S C 0.168 174.739 174.600 -0.049 0.000 1.047 10 S CA 0.342 58.524 58.200 -0.030 0.000 0.953 10 S CB 0.001 63.183 63.200 -0.031 0.000 0.824 10 S HN 0.761 nan 8.310 nan 0.000 0.502 11 D N 1.176 121.527 120.400 -0.082 0.000 2.412 11 D HA 0.281 4.921 4.640 0.000 0.000 0.224 11 D C 0.175 176.329 176.300 -0.243 0.000 1.093 11 D CA -0.217 53.688 54.000 -0.158 0.000 0.850 11 D CB 0.546 41.235 40.800 -0.186 0.000 1.046 11 D HN 0.007 nan 8.370 nan 0.000 0.507 12 R N 2.539 122.918 120.500 -0.202 0.000 2.509 12 R HA 0.169 4.509 4.340 0.000 0.000 0.300 12 R C 0.107 176.295 176.300 -0.188 0.000 0.985 12 R CA -0.237 55.814 56.100 -0.080 0.000 1.092 12 R CB 0.838 31.169 30.300 0.053 0.000 1.237 12 R HN 0.404 nan 8.270 nan 0.000 0.546 13 E N 0.625 120.529 120.200 -0.492 0.000 2.166 13 E HA 0.356 4.706 4.350 0.000 0.000 0.275 13 E C -1.181 174.980 176.600 -0.732 0.000 0.941 13 E CA -0.471 55.701 56.400 -0.381 0.000 0.784 13 E CB 0.787 30.358 29.700 -0.215 0.000 1.115 13 E HN -0.141 nan 8.360 nan 0.000 0.399 14 F N 1.449 121.371 119.950 -0.046 0.000 2.640 14 F HA 0.261 4.788 4.527 0.000 0.000 0.324 14 F C 0.992 176.743 175.800 -0.082 0.000 1.077 14 F CA -0.827 57.150 58.000 -0.039 0.000 0.965 14 F CB 1.357 40.348 39.000 -0.016 0.000 1.351 14 F HN 0.411 nan 8.300 nan 0.000 0.487 15 D N -0.161 120.300 120.400 0.100 0.000 2.103 15 D HA -0.096 4.544 4.640 0.000 0.000 0.199 15 D C -0.422 175.632 176.300 -0.410 0.000 0.978 15 D CA 1.969 55.870 54.000 -0.165 0.000 0.829 15 D CB 0.022 40.743 40.800 -0.132 0.000 0.981 15 D HN 0.298 nan 8.370 nan 0.000 0.464 16 Y N -0.730 119.645 120.300 0.126 0.000 2.462 16 Y HA 0.497 5.047 4.550 0.000 0.000 0.346 16 Y C -0.118 175.796 175.900 0.023 0.000 0.976 16 Y CA -0.843 57.298 58.100 0.068 0.000 1.044 16 Y CB 2.114 40.604 38.460 0.050 0.000 1.230 16 Y HN -0.320 nan 8.280 nan 0.000 0.455 17 I N 3.366 124.015 120.570 0.132 0.000 2.436 17 I HA 0.443 4.614 4.170 0.000 0.000 0.289 17 I C -1.127 175.004 176.117 0.023 0.000 1.010 17 I CA -1.018 60.282 61.300 -0.000 0.000 1.098 17 I CB 1.717 39.694 38.000 -0.038 0.000 1.266 17 I HN 0.228 nan 8.210 nan 0.000 0.434 18 V N 6.958 126.867 119.914 -0.007 0.000 2.398 18 V HA 0.320 4.440 4.120 0.000 0.000 0.286 18 V C 0.007 176.091 176.094 -0.016 0.000 1.026 18 V CA -0.698 61.603 62.300 0.002 0.000 0.868 18 V CB 1.809 33.640 31.823 0.013 0.000 0.982 18 V HN 0.400 nan 8.190 nan 0.000 0.443 19 V N 4.006 123.913 119.914 -0.011 0.000 2.333 19 V HA 0.852 4.972 4.120 0.000 0.000 0.274 19 V C 0.608 176.707 176.094 0.008 0.000 1.028 19 V CA 0.196 62.492 62.300 -0.007 0.000 0.851 19 V CB 0.609 32.423 31.823 -0.016 0.000 1.000 19 V HN 1.257 nan 8.190 nan 0.000 0.456 20 G N 3.366 112.183 108.800 0.029 0.000 3.353 20 G HA2 0.134 4.094 3.960 0.000 0.000 0.682 20 G HA3 0.134 4.094 3.960 0.000 0.000 0.682 20 G C 0.126 175.054 174.900 0.047 0.000 1.192 20 G CA -0.534 44.596 45.100 0.050 0.000 1.111 20 G HN 1.206 nan 8.290 nan 0.000 0.493 21 G N 0.785 109.626 108.800 0.069 0.000 3.639 21 G HA2 0.624 4.584 3.960 0.000 0.000 0.279 21 G HA3 0.624 4.584 3.960 0.000 0.000 0.279 21 G C 0.926 175.858 174.900 0.053 0.000 1.312 21 G CA 0.930 46.068 45.100 0.064 0.000 1.355 21 G HN 1.192 nan 8.290 nan 0.000 0.595 22 G N 0.008 108.830 108.800 0.038 0.000 2.641 22 G HA2 0.365 4.325 3.960 0.000 0.000 0.239 22 G HA3 0.365 4.325 3.960 0.000 0.000 0.239 22 G C 1.277 176.185 174.900 0.013 0.000 1.402 22 G CA 0.399 45.519 45.100 0.034 0.000 1.046 22 G HN 0.183 nan 8.290 nan 0.000 0.565 23 S N 0.005 115.717 115.700 0.019 0.000 2.359 23 S HA -0.194 4.276 4.470 0.000 0.000 0.223 23 S C 2.664 177.253 174.600 -0.019 0.000 1.039 23 S CA 1.949 60.163 58.200 0.023 0.000 1.042 23 S CB -0.565 62.658 63.200 0.038 0.000 0.915 23 S HN 0.777 nan 8.310 nan 0.000 0.439 24 A N 1.175 123.978 122.820 -0.028 0.000 1.898 24 A HA 0.259 4.579 4.320 0.000 0.000 0.214 24 A C 2.353 179.874 177.584 -0.105 0.000 1.183 24 A CA 1.424 53.425 52.037 -0.060 0.000 0.622 24 A CB -1.364 17.620 19.000 -0.027 0.000 0.824 24 A HN 0.513 nan 8.150 nan 0.000 0.444 25 G N -0.191 108.570 108.800 -0.066 0.000 2.418 25 G HA2 -0.010 3.950 3.960 0.000 0.000 0.217 25 G HA3 -0.010 3.950 3.960 0.000 0.000 0.217 25 G C 1.745 176.590 174.900 -0.092 0.000 1.158 25 G CA 1.490 46.556 45.100 -0.057 0.000 0.771 25 G HN 0.764 nan 8.290 nan 0.000 0.545 26 A N 1.133 123.890 122.820 -0.104 0.000 1.902 26 A HA 0.248 4.568 4.320 0.000 0.000 0.217 26 A C 2.813 180.162 177.584 -0.391 0.000 1.181 26 A CA 2.310 54.267 52.037 -0.134 0.000 0.623 26 A CB -0.765 18.205 19.000 -0.051 0.000 0.818 26 A HN 0.783 nan 8.150 nan 0.000 0.443 27 A N -0.552 121.867 122.820 -0.669 0.000 1.873 27 A HA 0.013 4.333 4.320 0.000 0.000 0.215 27 A C 2.235 179.505 177.584 -0.523 0.000 1.186 27 A CA 1.757 53.108 52.037 -1.145 0.000 0.616 27 A CB -0.983 17.425 19.000 -0.986 0.000 0.823 27 A HN 0.392 nan 8.150 nan 0.000 0.442 28 V N -0.030 119.706 119.914 -0.297 0.000 2.287 28 V HA -0.278 3.842 4.120 0.000 0.000 0.248 28 V C 3.066 179.071 176.094 -0.150 0.000 1.053 28 V CA 2.103 64.294 62.300 -0.182 0.000 1.027 28 V CB -1.317 30.438 31.823 -0.113 0.000 0.646 28 V HN 0.620 nan 8.190 nan 0.000 0.447 29 A N -0.129 122.626 122.820 -0.107 0.000 1.902 29 A HA -0.088 4.232 4.320 0.000 0.000 0.217 29 A C 2.413 179.954 177.584 -0.073 0.000 1.181 29 A CA 2.094 54.130 52.037 -0.003 0.000 0.623 29 A CB -0.797 18.287 19.000 0.139 0.000 0.818 29 A HN 0.577 nan 8.150 nan 0.000 0.443 30 A N -0.564 122.144 122.820 -0.186 0.000 1.898 30 A HA -0.126 4.194 4.320 0.000 0.000 0.216 30 A C 2.208 179.726 177.584 -0.109 0.000 1.181 30 A CA 1.433 53.349 52.037 -0.202 0.000 0.620 30 A CB -0.388 18.552 19.000 -0.101 0.000 0.819 30 A HN 0.377 nan 8.150 nan 0.000 0.442 31 R N -0.239 120.196 120.500 -0.108 0.000 2.073 31 R HA 0.042 4.382 4.340 0.000 0.000 0.229 31 R C 2.020 178.273 176.300 -0.078 0.000 1.120 31 R CA 1.048 57.105 56.100 -0.071 0.000 0.967 31 R CB -1.102 29.150 30.300 -0.080 0.000 0.862 31 R HN 0.587 nan 8.270 nan 0.000 0.436 32 L N 0.675 121.834 121.223 -0.106 0.000 2.131 32 L HA -0.101 4.239 4.340 0.000 0.000 0.210 32 L C 1.939 178.798 176.870 -0.019 0.000 1.092 32 L CA 1.107 55.875 54.840 -0.120 0.000 0.759 32 L CB -0.336 41.582 42.059 -0.234 0.000 0.903 32 L HN 0.062 nan 8.230 nan 0.000 0.435 33 S N -0.756 114.949 115.700 0.008 0.000 2.561 33 S HA -0.090 4.380 4.470 0.000 0.000 0.225 33 S C 1.592 176.212 174.600 0.033 0.000 0.977 33 S CA 0.448 58.684 58.200 0.061 0.000 0.926 33 S CB -0.122 63.110 63.200 0.054 0.000 0.769 33 S HN 0.432 nan 8.310 nan 0.000 0.533 34 E N 1.171 121.373 120.200 0.004 0.000 2.338 34 E HA -0.074 4.276 4.350 0.000 0.000 0.197 34 E C 0.269 176.882 176.600 0.022 0.000 1.007 34 E CA 0.394 56.798 56.400 0.006 0.000 0.849 34 E CB 0.128 29.826 29.700 -0.003 0.000 0.774 34 E HN 0.263 nan 8.360 nan 0.000 0.506 35 D N 0.386 120.805 120.400 0.032 0.000 2.347 35 D HA 0.026 4.666 4.640 0.000 0.000 0.235 35 D C -1.675 174.664 176.300 0.064 0.000 1.149 35 D CA -2.393 51.635 54.000 0.045 0.000 0.850 35 D CB 1.270 42.100 40.800 0.050 0.000 1.061 35 D HN -0.100 nan 8.370 nan 0.000 0.487 36 P HA -0.078 nan 4.420 nan 0.000 0.225 36 P C 0.746 178.089 177.300 0.072 0.000 1.148 36 P CA 0.494 63.634 63.100 0.066 0.000 0.779 36 P CB 0.262 31.993 31.700 0.051 0.000 0.780 37 A N -0.558 122.303 122.820 0.068 0.000 2.208 37 A HA 0.175 4.495 4.320 0.000 0.000 0.209 37 A C 0.970 178.608 177.584 0.090 0.000 1.161 37 A CA 0.296 52.373 52.037 0.067 0.000 0.782 37 A CB -0.306 18.726 19.000 0.054 0.000 0.816 37 A HN 0.066 nan 8.150 nan 0.000 0.477 38 V N 1.678 121.663 119.914 0.118 0.000 2.398 38 V HA 0.406 4.526 4.120 0.000 0.000 0.286 38 V C 0.299 176.511 176.094 0.196 0.000 1.026 38 V CA -0.245 62.159 62.300 0.172 0.000 0.868 38 V CB 1.445 33.397 31.823 0.216 0.000 0.982 38 V HN 0.457 nan 8.190 nan 0.000 0.443 39 S N 4.764 120.590 115.700 0.209 0.000 2.508 39 S HA 0.802 5.273 4.470 0.000 0.000 0.284 39 S C -0.808 173.993 174.600 0.335 0.000 1.192 39 S CA -0.600 57.753 58.200 0.255 0.000 1.070 39 S CB 1.638 64.968 63.200 0.216 0.000 1.004 39 S HN 0.436 nan 8.310 nan 0.000 0.493 40 V N 2.004 122.102 119.914 0.308 0.000 2.638 40 V HA 0.809 4.929 4.120 0.000 0.000 0.306 40 V C 0.014 176.049 176.094 -0.098 0.000 1.052 40 V CA -0.708 61.720 62.300 0.213 0.000 0.885 40 V CB 1.529 33.530 31.823 0.296 0.000 0.999 40 V HN 1.223 nan 8.190 nan 0.000 0.424 41 A N 4.512 127.081 122.820 -0.419 0.000 2.330 41 A HA 0.906 5.226 4.320 0.000 0.000 0.327 41 A C -1.205 176.155 177.584 -0.373 0.000 1.155 41 A CA -0.526 51.039 52.037 -0.787 0.000 0.803 41 A CB 1.328 19.420 19.000 -1.514 0.000 1.208 41 A HN 0.869 nan 8.150 nan 0.000 0.477 42 L N 3.635 124.659 121.223 -0.332 0.000 2.319 42 L HA 0.644 4.984 4.340 0.000 0.000 0.281 42 L C -1.080 175.722 176.870 -0.113 0.000 1.005 42 L CA -0.290 54.491 54.840 -0.097 0.000 0.828 42 L CB 1.583 43.716 42.059 0.124 0.000 1.227 42 L HN 0.383 nan 8.230 nan 0.000 0.415 43 V N 4.374 124.245 119.914 -0.071 0.000 2.398 43 V HA 0.657 4.777 4.120 0.000 0.000 0.286 43 V C -0.426 175.682 176.094 0.025 0.000 1.026 43 V CA -0.507 61.771 62.300 -0.038 0.000 0.868 43 V CB 1.446 33.242 31.823 -0.045 0.000 0.982 43 V HN 0.812 nan 8.190 nan 0.000 0.443 44 E N 3.889 124.122 120.200 0.054 0.000 2.272 44 E HA 0.706 5.056 4.350 0.000 0.000 0.269 44 E C 0.382 177.052 176.600 0.116 0.000 0.877 44 E CA -0.053 56.405 56.400 0.097 0.000 0.755 44 E CB 2.043 31.800 29.700 0.095 0.000 1.192 44 E HN 0.551 nan 8.360 nan 0.000 0.422 45 A N 3.551 126.478 122.820 0.179 0.000 1.929 45 A HA 0.232 4.552 4.320 0.000 0.000 0.216 45 A C 1.243 178.855 177.584 0.048 0.000 1.176 45 A CA 1.216 53.356 52.037 0.172 0.000 0.628 45 A CB -0.781 18.450 19.000 0.386 0.000 0.816 45 A HN 0.579 nan 8.150 nan 0.000 0.444 46 G N -0.482 108.338 108.800 0.033 0.000 2.588 46 G HA2 0.468 4.428 3.960 0.000 0.000 0.281 46 G HA3 0.468 4.428 3.960 0.000 0.000 0.281 46 G C -2.527 172.397 174.900 0.040 0.000 1.236 46 G CA -1.155 43.929 45.100 -0.027 0.000 0.969 46 G HN 0.226 nan 8.290 nan 0.000 0.504 47 P HA 0.122 nan 4.420 nan 0.000 0.274 47 P C -0.465 176.897 177.300 0.103 0.000 1.246 47 P CA -0.491 62.665 63.100 0.093 0.000 0.795 47 P CB 0.816 32.581 31.700 0.110 0.000 1.006 48 D N 0.508 120.962 120.400 0.090 0.000 2.506 48 D HA -0.079 4.561 4.640 0.000 0.000 0.234 48 D C 0.841 177.176 176.300 0.057 0.000 1.143 48 D CA 0.375 54.389 54.000 0.022 0.000 0.871 48 D CB 0.306 41.076 40.800 -0.049 0.000 1.190 48 D HN 0.323 nan 8.370 nan 0.000 0.459 49 D N 2.421 122.860 120.400 0.066 0.000 2.360 49 D HA -0.046 4.594 4.640 0.000 0.000 0.210 49 D C 0.266 176.586 176.300 0.033 0.000 1.047 49 D CA -0.189 53.853 54.000 0.071 0.000 0.854 49 D CB -0.099 40.766 40.800 0.107 0.000 0.936 49 D HN 0.234 nan 8.370 nan 0.000 0.514 50 R N 0.523 120.976 120.500 -0.079 0.000 2.522 50 R HA 0.323 4.664 4.340 0.000 0.000 0.284 50 R C 1.255 177.511 176.300 -0.073 0.000 1.032 50 R CA 0.901 56.881 56.100 -0.200 0.000 1.049 50 R CB 0.119 30.201 30.300 -0.364 0.000 0.956 50 R HN 0.256 nan 8.270 nan 0.000 0.422 51 G N 1.669 110.439 108.800 -0.049 0.000 2.187 51 G HA2 -0.273 3.687 3.960 0.000 0.000 0.261 51 G HA3 -0.273 3.687 3.960 0.000 0.000 0.261 51 G C 0.055 174.960 174.900 0.008 0.000 1.000 51 G CA 0.253 45.345 45.100 -0.013 0.000 0.718 51 G HN 0.437 nan 8.290 nan 0.000 0.519 52 V N 1.898 121.817 119.914 0.009 0.000 2.288 52 V HA 0.247 4.367 4.120 0.000 0.000 0.266 52 V C -0.104 175.984 176.094 -0.010 0.000 1.048 52 V CA -0.713 61.593 62.300 0.010 0.000 0.842 52 V CB 1.317 33.142 31.823 0.002 0.000 1.064 52 V HN 0.154 nan 8.190 nan 0.000 0.472 53 P HA -0.152 nan 4.420 nan 0.000 0.216 53 P C 1.122 178.424 177.300 0.004 0.000 1.150 53 P CA 1.189 64.297 63.100 0.013 0.000 0.837 53 P CB 0.536 32.252 31.700 0.026 0.000 0.786 54 E N -0.322 119.871 120.200 -0.012 0.000 2.209 54 E HA -0.103 4.247 4.350 0.000 0.000 0.196 54 E C 2.023 178.577 176.600 -0.077 0.000 0.993 54 E CA 0.890 57.274 56.400 -0.026 0.000 0.819 54 E CB -0.998 28.689 29.700 -0.022 0.000 0.745 54 E HN 0.154 nan 8.360 nan 0.000 0.477 55 V N 0.114 119.941 119.914 -0.145 0.000 2.492 55 V HA -0.046 4.075 4.120 0.000 0.000 0.241 55 V C 2.008 178.084 176.094 -0.030 0.000 1.041 55 V CA 0.754 62.963 62.300 -0.151 0.000 1.057 55 V CB -0.228 31.430 31.823 -0.274 0.000 0.711 55 V HN 0.207 nan 8.190 nan 0.000 0.468 56 L N -0.326 120.889 121.223 -0.013 0.000 2.093 56 L HA -0.089 4.251 4.340 0.000 0.000 0.208 56 L C 1.084 177.975 176.870 0.034 0.000 1.085 56 L CA 1.130 55.981 54.840 0.019 0.000 0.755 56 L CB -0.317 41.760 42.059 0.029 0.000 0.904 56 L HN 0.377 nan 8.230 nan 0.000 0.435 57 Q N 0.977 120.804 119.800 0.045 0.000 2.344 57 Q HA 0.026 4.366 4.340 0.000 0.000 0.253 57 Q C 0.922 176.989 176.000 0.111 0.000 1.050 57 Q CA -0.324 55.519 55.803 0.068 0.000 0.912 57 Q CB 1.397 30.176 28.738 0.068 0.000 1.258 57 Q HN 0.149 nan 8.270 nan 0.000 0.443 58 L N 4.104 125.394 121.223 0.112 0.000 2.081 58 L HA -0.240 4.100 4.340 0.000 0.000 0.212 58 L C 1.572 178.628 176.870 0.311 0.000 1.080 58 L CA 2.432 57.374 54.840 0.170 0.000 0.754 58 L CB -0.312 41.809 42.059 0.103 0.000 0.893 58 L HN 0.711 nan 8.230 nan 0.000 0.433 59 D N -1.591 118.956 120.400 0.246 0.000 2.371 59 D HA -0.168 4.472 4.640 0.000 0.000 0.221 59 D C 1.658 178.236 176.300 0.464 0.000 0.986 59 D CA 0.749 54.953 54.000 0.340 0.000 0.899 59 D CB -0.460 40.433 40.800 0.154 0.000 0.902 59 D HN 0.404 nan 8.370 nan 0.000 0.530 60 R N 0.211 120.890 120.500 0.299 0.000 2.317 60 R HA 0.065 4.405 4.340 0.000 0.000 0.208 60 R C 1.570 177.956 176.300 0.144 0.000 0.914 60 R CA 0.120 56.332 56.100 0.187 0.000 1.060 60 R CB -0.355 30.018 30.300 0.122 0.000 1.015 60 R HN 0.503 nan 8.270 nan 0.000 0.498 61 W N 0.741 122.124 121.300 0.138 0.000 2.342 61 W HA -0.165 4.495 4.660 0.000 0.000 0.297 61 W C 1.108 177.641 176.519 0.024 0.000 1.213 61 W CA 0.656 58.040 57.345 0.065 0.000 1.251 61 W CB -0.692 28.803 29.460 0.059 0.000 1.136 61 W HN -0.024 nan 8.180 nan 0.000 0.526 62 M N 1.180 120.294 119.600 -0.810 0.000 2.374 62 M HA -0.127 4.353 4.480 0.000 0.000 0.264 62 M C 1.822 177.923 176.300 -0.332 0.000 1.067 62 M CA 1.689 56.468 55.300 -0.868 0.000 1.103 62 M CB -0.520 31.516 32.600 -0.940 0.000 1.402 62 M HN 0.046 nan 8.290 nan 0.000 0.444 63 E N 0.620 120.706 120.200 -0.190 0.000 2.338 63 E HA -0.106 4.244 4.350 0.000 0.000 0.197 63 E C 1.792 178.390 176.600 -0.002 0.000 1.007 63 E CA 0.758 57.111 56.400 -0.077 0.000 0.849 63 E CB -0.153 29.526 29.700 -0.036 0.000 0.774 63 E HN 0.557 nan 8.360 nan 0.000 0.506 64 L N 0.702 121.943 121.223 0.029 0.000 2.395 64 L HA 0.012 4.353 4.340 0.000 0.000 0.218 64 L C 0.815 177.743 176.870 0.095 0.000 1.130 64 L CA 0.000 54.907 54.840 0.112 0.000 0.826 64 L CB -0.195 41.959 42.059 0.157 0.000 0.941 64 L HN 0.079 nan 8.230 nan 0.000 0.451 65 L N 1.222 122.452 121.223 0.012 0.000 2.534 65 L HA -0.039 4.301 4.340 0.000 0.000 0.271 65 L C 0.665 177.556 176.870 0.036 0.000 1.178 65 L CA 0.379 55.224 54.840 0.008 0.000 0.907 65 L CB -0.026 42.014 42.059 -0.032 0.000 1.164 65 L HN 0.276 nan 8.230 nan 0.000 0.482 66 E N -0.041 120.194 120.200 0.059 0.000 3.286 66 E HA -0.214 4.136 4.350 0.000 0.000 0.292 66 E C 0.193 176.810 176.600 0.028 0.000 0.928 66 E CA 0.631 57.057 56.400 0.043 0.000 0.982 66 E CB -1.103 28.618 29.700 0.035 0.000 1.500 66 E HN 0.807 nan 8.360 nan 0.000 0.441 67 S N -1.402 114.328 115.700 0.050 0.000 2.671 67 S HA 0.515 4.985 4.470 0.000 0.000 0.272 67 S C 1.554 176.134 174.600 -0.033 0.000 1.174 67 S CA -0.311 57.913 58.200 0.040 0.000 1.004 67 S CB 1.454 64.738 63.200 0.141 0.000 1.077 67 S HN 0.237 nan 8.310 nan 0.000 0.553 68 G N -0.924 107.796 108.800 -0.133 0.000 2.535 68 G HA2 -0.082 3.878 3.960 0.000 0.000 0.218 68 G HA3 -0.082 3.878 3.960 0.000 0.000 0.218 68 G C 0.569 175.214 174.900 -0.426 0.000 1.122 68 G CA 0.331 45.252 45.100 -0.299 0.000 0.769 68 G HN 0.768 nan 8.290 nan 0.000 0.549 69 Y N -0.113 120.143 120.300 -0.074 0.000 2.471 69 Y HA 0.216 4.766 4.550 0.000 0.000 0.286 69 Y C 0.428 176.270 175.900 -0.096 0.000 1.188 69 Y CA -0.279 57.772 58.100 -0.083 0.000 1.286 69 Y CB 0.478 38.937 38.460 -0.001 0.000 1.072 69 Y HN 0.035 nan 8.280 nan 0.000 0.517 70 D N -1.462 118.930 120.400 -0.014 0.000 2.492 70 D HA 0.080 4.720 4.640 0.000 0.000 0.248 70 D C 0.009 176.244 176.300 -0.107 0.000 1.101 70 D CA -0.896 53.116 54.000 0.020 0.000 0.840 70 D CB 0.657 41.516 40.800 0.099 0.000 1.209 70 D HN 0.081 nan 8.370 nan 0.000 0.524 71 W N 2.087 123.270 121.300 -0.195 0.000 2.350 71 W HA -0.068 4.592 4.660 0.000 0.000 0.289 71 W C 0.604 176.802 176.519 -0.535 0.000 1.215 71 W CA 0.748 57.839 57.345 -0.423 0.000 1.236 71 W CB -0.151 28.863 29.460 -0.744 0.000 1.130 71 W HN 0.510 nan 8.180 nan 0.000 0.541 72 D N -1.290 119.004 120.400 -0.175 0.000 4.044 72 D HA -0.227 4.413 4.640 0.000 0.000 0.242 72 D C -1.565 174.720 176.300 -0.025 0.000 1.076 72 D CA 0.464 54.434 54.000 -0.049 0.000 1.171 72 D CB -1.415 39.391 40.800 0.010 0.000 0.866 72 D HN 0.080 nan 8.370 nan 0.000 0.413 73 Y N 3.032 123.468 120.300 0.226 0.000 2.491 73 Y HA 0.391 4.941 4.550 0.000 0.000 0.334 73 Y C -1.616 174.390 175.900 0.177 0.000 0.969 73 Y CA -2.420 55.789 58.100 0.181 0.000 1.241 73 Y CB 0.981 39.543 38.460 0.170 0.000 1.105 73 Y HN 0.115 nan 8.280 nan 0.000 0.503 74 P HA 0.174 nan 4.420 nan 0.000 0.274 74 P C 0.078 177.487 177.300 0.181 0.000 1.231 74 P CA -0.207 63.008 63.100 0.191 0.000 0.790 74 P CB 1.550 33.320 31.700 0.117 0.000 0.951 75 I N -1.625 119.042 120.570 0.161 0.000 2.797 75 I HA 0.404 4.574 4.170 0.000 0.000 0.310 75 I C 0.359 176.521 176.117 0.075 0.000 0.990 75 I CA -0.973 60.414 61.300 0.145 0.000 1.228 75 I CB 0.633 38.763 38.000 0.216 0.000 1.406 75 I HN 0.115 nan 8.210 nan 0.000 0.534 76 E N 2.811 123.042 120.200 0.051 0.000 2.408 76 E HA 0.234 4.585 4.350 0.000 0.000 0.259 76 E C -2.281 174.338 176.600 0.031 0.000 1.110 76 E CA -1.651 54.762 56.400 0.023 0.000 0.929 76 E CB -0.259 29.443 29.700 0.004 0.000 0.971 76 E HN 0.450 nan 8.360 nan 0.000 0.438 77 P HA -0.074 nan 4.420 nan 0.000 0.261 77 P C -0.394 176.939 177.300 0.055 0.000 1.173 77 P CA 0.559 63.670 63.100 0.018 0.000 0.760 77 P CB 0.379 32.081 31.700 0.003 0.000 0.783 78 Q N 2.340 122.199 119.800 0.098 0.000 2.256 78 Q HA 0.062 4.402 4.340 0.000 0.000 0.254 78 Q C 1.224 177.300 176.000 0.127 0.000 0.916 78 Q CA -0.067 55.823 55.803 0.145 0.000 0.932 78 Q CB 1.242 30.137 28.738 0.261 0.000 1.207 78 Q HN 0.556 nan 8.270 nan 0.000 0.426 79 E N 2.448 122.712 120.200 0.107 0.000 2.077 79 E HA -0.208 4.142 4.350 0.000 0.000 0.193 79 E C 0.209 176.881 176.600 0.120 0.000 0.989 79 E CA 1.121 57.576 56.400 0.093 0.000 0.800 79 E CB 0.402 30.144 29.700 0.069 0.000 0.746 79 E HN 0.429 nan 8.360 nan 0.000 0.452 80 N N -0.493 118.311 118.700 0.173 0.000 2.536 80 N HA 0.227 4.967 4.740 0.000 0.000 0.286 80 N C -0.977 174.715 175.510 0.303 0.000 1.577 80 N CA 0.260 53.427 53.050 0.196 0.000 0.883 80 N CB 1.311 39.911 38.487 0.189 0.000 1.390 80 N HN 0.190 nan 8.380 nan 0.000 0.491 81 G N -0.417 108.583 108.800 0.335 0.000 2.749 81 G HA2 0.194 4.154 3.960 0.000 0.000 0.300 81 G HA3 0.194 4.154 3.960 0.000 0.000 0.300 81 G C -1.530 173.620 174.900 0.416 0.000 1.352 81 G CA -0.689 44.735 45.100 0.539 0.000 0.789 81 G HN 0.177 nan 8.290 nan 0.000 0.509 82 N N 0.252 119.195 118.700 0.405 0.000 2.469 82 N HA 0.267 5.007 4.740 0.000 0.000 0.239 82 N C 1.082 176.669 175.510 0.129 0.000 1.053 82 N CA -0.129 52.958 53.050 0.062 0.000 0.937 82 N CB 1.123 39.350 38.487 -0.434 0.000 1.163 82 N HN 0.175 nan 8.380 nan 0.000 0.509 83 S N 2.432 118.229 115.700 0.160 0.000 2.507 83 S HA 0.002 4.472 4.470 0.000 0.000 0.235 83 S C 0.917 175.478 174.600 -0.064 0.000 0.988 83 S CA 0.486 58.712 58.200 0.043 0.000 0.944 83 S CB -0.278 62.898 63.200 -0.039 0.000 0.762 83 S HN 0.589 nan 8.310 nan 0.000 0.526 84 F N 0.934 120.894 119.950 0.017 0.000 2.789 84 F HA 0.329 4.857 4.527 0.000 0.000 0.300 84 F C 1.077 176.864 175.800 -0.021 0.000 1.132 84 F CA -0.085 57.913 58.000 -0.004 0.000 1.404 84 F CB -0.130 38.853 39.000 -0.027 0.000 1.114 84 F HN 0.166 nan 8.300 nan 0.000 0.584 85 M N 1.315 120.977 119.600 0.104 0.000 2.248 85 M HA 0.180 4.660 4.480 0.000 0.000 0.337 85 M C -0.244 176.099 176.300 0.072 0.000 1.121 85 M CA 0.645 55.954 55.300 0.016 0.000 1.155 85 M CB 0.509 33.046 32.600 -0.104 0.000 1.514 85 M HN -0.018 nan 8.290 nan 0.000 0.452 86 R N 2.587 123.133 120.500 0.077 0.000 2.621 86 R HA 0.334 4.674 4.340 0.000 0.000 0.292 86 R C -1.052 175.355 176.300 0.179 0.000 0.969 86 R CA -0.887 55.307 56.100 0.156 0.000 0.887 86 R CB 1.328 31.733 30.300 0.175 0.000 1.180 86 R HN 0.667 nan 8.270 nan 0.000 0.450 87 H N 1.835 121.096 119.070 0.319 0.000 3.008 87 H HA 0.159 4.715 4.556 0.000 0.000 0.268 87 H C 0.010 175.582 175.328 0.407 0.000 1.323 87 H CA -0.151 56.135 56.048 0.398 0.000 1.401 87 H CB 0.704 30.675 29.762 0.349 0.000 1.556 87 H HN 0.639 nan 8.280 nan 0.000 0.502 88 A N 5.233 128.352 122.820 0.499 0.000 2.520 88 A HA 0.253 4.573 4.320 0.000 0.000 0.245 88 A C 0.429 178.293 177.584 0.466 0.000 1.072 88 A CA 0.005 52.259 52.037 0.362 0.000 0.761 88 A CB 0.296 19.382 19.000 0.143 0.000 1.004 88 A HN 0.582 nan 8.150 nan 0.000 0.499 89 R N 1.119 121.832 120.500 0.356 0.000 2.574 89 R HA 0.532 4.872 4.340 0.000 0.000 0.288 89 R C -0.414 175.988 176.300 0.170 0.000 1.004 89 R CA -0.317 55.936 56.100 0.254 0.000 0.895 89 R CB 1.832 32.332 30.300 0.334 0.000 1.191 89 R HN 0.892 nan 8.270 nan 0.000 0.444 90 A N 2.508 125.186 122.820 -0.236 0.000 2.425 90 A HA 0.224 4.544 4.320 0.000 0.000 0.249 90 A C 0.051 177.701 177.584 0.109 0.000 1.084 90 A CA -0.025 51.934 52.037 -0.130 0.000 0.781 90 A CB 0.321 19.124 19.000 -0.328 0.000 1.019 90 A HN 0.589 nan 8.150 nan 0.000 0.490 91 K N 2.206 122.555 120.400 -0.086 0.000 2.499 91 K HA 0.537 4.857 4.320 0.000 0.000 0.215 91 K C -1.387 175.182 176.600 -0.052 0.000 1.041 91 K CA -0.179 55.932 56.287 -0.293 0.000 1.031 91 K CB 0.692 32.545 32.500 -1.078 0.000 1.479 91 K HN 0.667 nan 8.250 nan 0.000 0.518 92 V N 3.225 123.179 119.914 0.067 0.000 3.155 92 V HA 0.206 4.326 4.120 0.000 0.000 0.272 92 V C -1.285 174.866 176.094 0.095 0.000 1.639 92 V CA -1.060 61.307 62.300 0.112 0.000 1.006 92 V CB 2.026 33.950 31.823 0.168 0.000 1.244 92 V HN 0.583 nan 8.190 nan 0.000 0.458 93 M N 3.360 123.017 119.600 0.094 0.000 2.248 93 M HA 0.260 4.740 4.480 0.000 0.000 0.343 93 M C 1.514 177.857 176.300 0.072 0.000 1.243 93 M CA 1.960 57.314 55.300 0.089 0.000 1.025 93 M CB -0.423 32.238 32.600 0.101 0.000 1.759 93 M HN 1.610 nan 8.290 nan 0.000 0.452 94 G N 2.067 110.903 108.800 0.060 0.000 2.217 94 G HA2 -0.150 3.810 3.960 0.000 0.000 0.246 94 G HA3 -0.150 3.810 3.960 0.000 0.000 0.246 94 G C 0.807 175.730 174.900 0.038 0.000 0.990 94 G CA 0.427 45.551 45.100 0.039 0.000 0.627 94 G HN 1.496 nan 8.290 nan 0.000 0.522 95 G N -0.844 107.986 108.800 0.051 0.000 2.582 95 G HA2 -0.292 3.668 3.960 0.000 0.000 0.288 95 G HA3 -0.292 3.668 3.960 0.000 0.000 0.288 95 G C 1.373 176.255 174.900 -0.031 0.000 1.247 95 G CA 1.482 46.606 45.100 0.041 0.000 0.972 95 G HN 1.406 nan 8.290 nan 0.000 0.557 96 C N 1.387 120.648 119.300 -0.065 0.000 2.456 96 C HA 0.162 4.622 4.460 0.000 0.000 0.279 96 C C 3.312 178.330 174.990 0.046 0.000 1.427 96 C CA 1.955 60.890 59.018 -0.138 0.000 1.778 96 C CB -1.532 26.171 27.740 -0.061 0.000 1.842 96 C HN 1.165 nan 8.230 nan 0.000 0.531 97 S N 0.429 116.151 115.700 0.037 0.000 2.465 97 S HA -0.113 4.357 4.470 0.000 0.000 0.241 97 S C 1.505 176.128 174.600 0.038 0.000 1.000 97 S CA 1.780 60.003 58.200 0.039 0.000 0.964 97 S CB -0.380 62.841 63.200 0.036 0.000 0.763 97 S HN 0.577 nan 8.310 nan 0.000 0.512 98 S N 0.524 116.252 115.700 0.046 0.000 2.535 98 S HA 0.141 4.611 4.470 0.000 0.000 0.214 98 S C 1.147 175.820 174.600 0.122 0.000 0.980 98 S CA 0.272 58.503 58.200 0.051 0.000 0.907 98 S CB -0.208 63.007 63.200 0.025 0.000 0.790 98 S HN 1.027 nan 8.310 nan 0.000 0.510 99 H N 0.320 119.404 119.070 0.023 0.000 3.058 99 H HA 0.342 4.899 4.556 0.000 0.000 0.266 99 H C 0.423 175.782 175.328 0.051 0.000 1.135 99 H CA -0.511 55.577 56.048 0.067 0.000 1.174 99 H CB 0.179 29.992 29.762 0.085 0.000 1.581 99 H HN 0.297 nan 8.280 nan 0.000 0.553 100 N N 0.947 119.706 118.700 0.099 0.000 2.476 100 N HA -0.011 4.729 4.740 0.000 0.000 0.287 100 N C 0.933 176.000 175.510 -0.738 0.000 1.262 100 N CA 0.057 52.930 53.050 -0.295 0.000 0.980 100 N CB 0.911 39.335 38.487 -0.104 0.000 1.163 100 N HN 0.186 nan 8.380 nan 0.000 0.592 101 S N -2.762 112.298 115.700 -1.066 0.000 2.605 101 S HA 0.093 4.563 4.470 0.000 0.000 0.217 101 S C 0.278 174.619 174.600 -0.431 0.000 0.958 101 S CA -0.221 57.308 58.200 -1.117 0.000 0.919 101 S CB -1.344 61.230 63.200 -1.044 0.000 0.780 101 S HN 0.657 nan 8.310 nan 0.000 0.507 102 C N 0.837 119.956 119.300 -0.301 0.000 4.297 102 C HA -0.170 4.290 4.460 0.000 0.000 0.290 102 C C 0.553 175.451 174.990 -0.154 0.000 1.444 102 C CA -0.198 58.727 59.018 -0.156 0.000 1.982 102 C CB -2.868 24.816 27.740 -0.093 0.000 1.276 102 C HN 0.757 nan 8.230 nan 0.000 0.797 103 I N 1.184 121.620 120.570 -0.223 0.000 2.598 103 I HA 0.303 4.473 4.170 0.000 0.000 0.284 103 I C 0.765 176.749 176.117 -0.222 0.000 1.140 103 I CA 0.878 61.974 61.300 -0.340 0.000 1.420 103 I CB 0.513 38.196 38.000 -0.528 0.000 1.387 103 I HN 0.478 nan 8.210 nan 0.000 0.553 104 A N 8.062 130.717 122.820 -0.276 0.000 2.310 104 A HA 0.748 5.068 4.320 0.000 0.000 0.304 104 A C -0.993 176.418 177.584 -0.289 0.000 1.231 104 A CA -0.283 51.660 52.037 -0.157 0.000 0.799 104 A CB 0.301 19.253 19.000 -0.079 0.000 1.162 104 A HN 0.571 nan 8.150 nan 0.000 0.486 105 F N 1.010 120.976 119.950 0.027 0.000 2.556 105 F HA 0.551 5.078 4.527 0.000 0.000 0.314 105 F C -0.581 175.238 175.800 0.032 0.000 1.106 105 F CA -0.469 57.563 58.000 0.053 0.000 0.911 105 F CB 1.692 40.693 39.000 0.002 0.000 1.190 105 F HN 0.617 nan 8.300 nan 0.000 0.448 106 W N 2.602 123.801 121.300 -0.168 0.000 2.216 106 W HA 0.561 5.221 4.660 0.000 0.000 0.326 106 W C 0.187 176.571 176.519 -0.225 0.000 1.319 106 W CA -0.880 56.061 57.345 -0.674 0.000 1.213 106 W CB 0.208 29.158 29.460 -0.850 0.000 1.171 106 W HN 0.554 nan 8.180 nan 0.000 0.557 107 A N 5.622 128.498 122.820 0.093 0.000 2.445 107 A HA 0.362 4.682 4.320 0.000 0.000 0.242 107 A C -2.118 175.633 177.584 0.277 0.000 1.075 107 A CA -1.102 51.056 52.037 0.202 0.000 0.777 107 A CB -0.608 18.523 19.000 0.217 0.000 1.013 107 A HN 0.415 nan 8.150 nan 0.000 0.493 108 P HA -0.019 nan 4.420 nan 0.000 0.264 108 P C 0.789 178.242 177.300 0.256 0.000 1.183 108 P CA 0.100 63.318 63.100 0.196 0.000 0.763 108 P CB 0.466 32.214 31.700 0.081 0.000 0.807 109 R N 2.738 123.402 120.500 0.273 0.000 2.127 109 R HA -0.214 4.126 4.340 0.000 0.000 0.238 109 R C 0.938 177.219 176.300 -0.031 0.000 1.134 109 R CA 1.672 57.775 56.100 0.005 0.000 0.975 109 R CB -0.706 29.428 30.300 -0.276 0.000 0.865 109 R HN 0.337 nan 8.270 nan 0.000 0.447 110 E N 1.187 121.390 120.200 0.005 0.000 2.106 110 E HA -0.125 4.225 4.350 0.000 0.000 0.192 110 E C 1.557 178.169 176.600 0.019 0.000 0.984 110 E CA 1.381 57.779 56.400 -0.003 0.000 0.806 110 E CB -0.134 29.566 29.700 0.000 0.000 0.750 110 E HN 0.367 nan 8.360 nan 0.000 0.458 111 D N 0.394 120.820 120.400 0.043 0.000 2.084 111 D HA -0.136 4.504 4.640 0.000 0.000 0.194 111 D C 2.018 178.206 176.300 -0.185 0.000 0.990 111 D CA 0.985 55.015 54.000 0.049 0.000 0.826 111 D CB -0.194 40.662 40.800 0.094 0.000 0.971 111 D HN 0.172 nan 8.370 nan 0.000 0.453 112 L N 0.816 121.867 121.223 -0.288 0.000 2.093 112 L HA -0.147 4.193 4.340 0.000 0.000 0.208 112 L C 2.021 178.796 176.870 -0.159 0.000 1.085 112 L CA 0.879 55.422 54.840 -0.495 0.000 0.755 112 L CB -0.396 41.519 42.059 -0.240 0.000 0.904 112 L HN -0.107 nan 8.230 nan 0.000 0.435 113 D N 0.346 120.708 120.400 -0.064 0.000 2.182 113 D HA -0.187 4.453 4.640 0.000 0.000 0.201 113 D C 2.080 178.425 176.300 0.076 0.000 0.986 113 D CA 1.136 55.136 54.000 -0.001 0.000 0.847 113 D CB -0.011 40.764 40.800 -0.041 0.000 0.942 113 D HN 0.391 nan 8.370 nan 0.000 0.467 114 E N -0.707 119.561 120.200 0.112 0.000 2.274 114 E HA -0.125 4.225 4.350 0.000 0.000 0.194 114 E C 1.798 178.651 176.600 0.421 0.000 0.996 114 E CA 0.153 56.670 56.400 0.194 0.000 0.840 114 E CB 0.007 29.844 29.700 0.229 0.000 0.772 114 E HN 0.349 nan 8.360 nan 0.000 0.491 115 W N 1.508 122.950 121.300 0.237 0.000 2.338 115 W HA -0.182 4.478 4.660 0.000 0.000 0.304 115 W C 2.189 178.824 176.519 0.194 0.000 1.212 115 W CA 1.057 58.554 57.345 0.253 0.000 1.264 115 W CB -0.834 28.732 29.460 0.176 0.000 1.142 115 W HN 0.202 nan 8.180 nan 0.000 0.512 116 E N -0.390 120.048 120.200 0.396 0.000 2.033 116 E HA -0.078 4.272 4.350 0.000 0.000 0.189 116 E C 2.277 178.957 176.600 0.133 0.000 0.979 116 E CA 1.351 57.900 56.400 0.248 0.000 0.802 116 E CB -0.274 29.551 29.700 0.208 0.000 0.763 116 E HN 0.012 nan 8.360 nan 0.000 0.449 117 A N 0.897 123.772 122.820 0.092 0.000 1.968 117 A HA -0.129 4.191 4.320 0.000 0.000 0.217 117 A C 2.073 179.622 177.584 -0.058 0.000 1.169 117 A CA 1.621 53.666 52.037 0.014 0.000 0.638 117 A CB -0.204 18.796 19.000 0.001 0.000 0.812 117 A HN 0.189 nan 8.150 nan 0.000 0.446 118 K N -2.672 117.648 120.400 -0.134 0.000 2.350 118 K HA 0.155 4.475 4.320 0.000 0.000 0.196 118 K C 0.555 176.847 176.600 -0.513 0.000 1.084 118 K CA 0.209 56.254 56.287 -0.404 0.000 0.967 118 K CB 0.240 32.341 32.500 -0.666 0.000 0.950 118 K HN 0.486 nan 8.250 nan 0.000 0.512 119 Y N -0.400 119.926 120.300 0.043 0.000 2.555 119 Y HA 0.273 4.823 4.550 0.000 0.000 0.259 119 Y C 1.024 176.906 175.900 -0.030 0.000 1.179 119 Y CA 0.060 58.149 58.100 -0.019 0.000 1.230 119 Y CB 1.508 39.928 38.460 -0.067 0.000 1.146 119 Y HN 0.295 nan 8.280 nan 0.000 0.526 120 G N 0.768 109.621 108.800 0.090 0.000 2.162 120 G HA2 -0.320 3.640 3.960 0.000 0.000 0.260 120 G HA3 -0.320 3.640 3.960 0.000 0.000 0.260 120 G C 0.442 175.398 174.900 0.094 0.000 0.976 120 G CA 0.130 45.270 45.100 0.068 0.000 0.655 120 G HN 0.559 nan 8.290 nan 0.000 0.533 121 A N 1.336 124.241 122.820 0.142 0.000 2.990 121 A HA 0.607 4.927 4.320 0.000 0.000 0.282 121 A C 1.014 178.800 177.584 0.336 0.000 1.688 121 A CA 0.884 53.034 52.037 0.188 0.000 1.391 121 A CB -0.357 18.689 19.000 0.077 0.000 1.112 121 A HN 0.810 nan 8.150 nan 0.000 0.588 122 T N 0.848 115.544 114.554 0.236 0.000 2.891 122 T HA 0.338 4.688 4.350 0.000 0.000 0.296 122 T C 1.617 176.448 174.700 0.218 0.000 1.025 122 T CA 1.514 63.727 62.100 0.188 0.000 1.149 122 T CB 0.426 69.364 68.868 0.117 0.000 1.007 122 T HN 1.745 nan 8.240 nan 0.000 0.528 123 G N 2.488 111.368 108.800 0.132 0.000 2.241 123 G HA2 -0.225 3.735 3.960 0.000 0.000 0.244 123 G HA3 -0.225 3.735 3.960 0.000 0.000 0.244 123 G C -0.075 174.791 174.900 -0.057 0.000 0.998 123 G CA -0.454 44.646 45.100 0.000 0.000 0.621 123 G HN 0.714 nan 8.290 nan 0.000 0.519 124 W N 2.763 124.131 121.300 0.113 0.000 2.367 124 W HA 0.622 5.282 4.660 0.000 0.000 0.329 124 W C 0.464 177.059 176.519 0.125 0.000 1.066 124 W CA 0.062 57.508 57.345 0.168 0.000 1.435 124 W CB 0.456 30.120 29.460 0.341 0.000 1.296 124 W HN 0.606 nan 8.180 nan 0.000 0.401 125 N N 0.379 119.187 118.700 0.180 0.000 3.106 125 N HA 0.553 5.293 4.740 0.000 0.000 0.253 125 N C 0.265 175.778 175.510 0.005 0.000 1.506 125 N CA -0.449 52.642 53.050 0.068 0.000 0.876 125 N CB 0.373 38.877 38.487 0.029 0.000 1.452 125 N HN 0.095 nan 8.380 nan 0.000 0.542 126 A N -0.400 122.371 122.820 -0.082 0.000 2.015 126 A HA -0.099 4.221 4.320 0.000 0.000 0.219 126 A C 1.582 179.096 177.584 -0.116 0.000 1.163 126 A CA 1.358 53.299 52.037 -0.159 0.000 0.646 126 A CB -0.904 17.718 19.000 -0.629 0.000 0.806 126 A HN 0.758 nan 8.150 nan 0.000 0.448 127 E N -0.362 119.766 120.200 -0.120 0.000 2.110 127 E HA -0.151 4.199 4.350 0.000 0.000 0.193 127 E C 2.224 178.819 176.600 -0.008 0.000 0.988 127 E CA 1.019 57.380 56.400 -0.065 0.000 0.804 127 E CB -0.199 29.460 29.700 -0.068 0.000 0.745 127 E HN 0.652 nan 8.360 nan 0.000 0.458 128 A N 0.855 123.652 122.820 -0.037 0.000 1.970 128 A HA 0.102 4.423 4.320 0.000 0.000 0.216 128 A C 2.237 179.775 177.584 -0.077 0.000 1.170 128 A CA 1.199 53.180 52.037 -0.093 0.000 0.645 128 A CB -0.168 18.707 19.000 -0.209 0.000 0.816 128 A HN 0.268 nan 8.150 nan 0.000 0.447 129 A N -1.526 121.292 122.820 -0.002 0.000 1.935 129 A HA -0.031 4.289 4.320 0.000 0.000 0.214 129 A C 2.079 179.664 177.584 0.002 0.000 1.178 129 A CA 0.703 52.683 52.037 -0.094 0.000 0.640 129 A CB -0.798 18.178 19.000 -0.040 0.000 0.825 129 A HN 0.743 nan 8.150 nan 0.000 0.447 130 W N 0.531 121.810 121.300 -0.035 0.000 2.317 130 W HA -0.149 4.511 4.660 0.000 0.000 0.318 130 W C -0.838 175.708 176.519 0.045 0.000 1.227 130 W CA 1.894 59.320 57.345 0.134 0.000 1.269 130 W CB -1.184 28.428 29.460 0.254 0.000 1.155 130 W HN 0.298 nan 8.180 nan 0.000 0.484 131 P HA -0.150 nan 4.420 nan 0.000 0.220 131 P C 1.579 178.872 177.300 -0.012 0.000 1.148 131 P CA 1.530 64.689 63.100 0.099 0.000 0.803 131 P CB -0.323 31.417 31.700 0.067 0.000 0.782 132 L N -2.850 118.305 121.223 -0.114 0.000 2.095 132 L HA -0.107 4.233 4.340 0.000 0.000 0.204 132 L C 2.449 179.178 176.870 -0.234 0.000 1.080 132 L CA 1.207 55.936 54.840 -0.185 0.000 0.759 132 L CB -1.007 40.898 42.059 -0.256 0.000 0.914 132 L HN -0.031 nan 8.230 nan 0.000 0.439 133 Y N 0.592 120.644 120.300 -0.414 0.000 2.114 133 Y HA -0.357 4.193 4.550 0.000 0.000 0.282 133 Y C 2.845 178.502 175.900 -0.405 0.000 1.165 133 Y CA 1.445 59.100 58.100 -0.741 0.000 1.148 133 Y CB -0.168 37.133 38.460 -1.932 0.000 0.972 133 Y HN 0.102 nan 8.280 nan 0.000 0.504 134 K N 0.651 121.014 120.400 -0.062 0.000 2.032 134 K HA -0.268 4.052 4.320 0.000 0.000 0.209 134 K C 2.318 178.951 176.600 0.054 0.000 1.048 134 K CA 1.696 58.049 56.287 0.110 0.000 0.927 134 K CB -0.186 32.403 32.500 0.149 0.000 0.712 134 K HN 0.165 nan 8.250 nan 0.000 0.441 135 R N 0.763 121.271 120.500 0.013 0.000 2.092 135 R HA -0.126 4.214 4.340 0.000 0.000 0.231 135 R C 2.375 178.681 176.300 0.009 0.000 1.119 135 R CA 1.533 57.639 56.100 0.010 0.000 0.970 135 R CB -0.261 30.039 30.300 -0.000 0.000 0.864 135 R HN 0.290 nan 8.270 nan 0.000 0.440 136 L N -0.037 121.192 121.223 0.010 0.000 2.240 136 L HA 0.091 4.431 4.340 0.000 0.000 0.211 136 L C 0.384 177.242 176.870 -0.020 0.000 1.106 136 L CA 0.822 55.675 54.840 0.022 0.000 0.793 136 L CB -0.455 41.657 42.059 0.089 0.000 0.927 136 L HN 0.124 nan 8.230 nan 0.000 0.446 137 E N -0.508 119.697 120.200 0.009 0.000 2.212 137 E HA 0.473 4.823 4.350 0.000 0.000 0.270 137 E C -0.938 175.641 176.600 -0.035 0.000 0.956 137 E CA -0.825 55.580 56.400 0.009 0.000 0.825 137 E CB 1.173 30.919 29.700 0.077 0.000 1.167 137 E HN 0.012 nan 8.360 nan 0.000 0.400 138 T N 2.598 117.091 114.554 -0.102 0.000 2.821 138 T HA 0.239 4.589 4.350 0.000 0.000 0.307 138 T C -0.711 173.864 174.700 -0.208 0.000 1.034 138 T CA -0.739 61.230 62.100 -0.217 0.000 0.953 138 T CB 0.198 68.771 68.868 -0.491 0.000 0.968 138 T HN 0.386 nan 8.240 nan 0.000 0.462 139 N N 2.337 120.924 118.700 -0.189 0.000 2.421 139 N HA 0.117 4.857 4.740 0.000 0.000 0.285 139 N C 1.094 176.445 175.510 -0.266 0.000 1.027 139 N CA -0.344 52.546 53.050 -0.266 0.000 0.918 139 N CB 1.700 39.886 38.487 -0.501 0.000 1.152 139 N HN 0.694 nan 8.380 nan 0.000 0.485 140 E N 2.092 122.159 120.200 -0.221 0.000 2.171 140 E HA -0.213 4.137 4.350 0.000 0.000 0.197 140 E C -0.208 176.286 176.600 -0.176 0.000 0.997 140 E CA 1.423 57.721 56.400 -0.169 0.000 0.810 140 E CB 0.287 29.913 29.700 -0.124 0.000 0.738 140 E HN 0.526 nan 8.360 nan 0.000 0.467 141 D N 0.152 120.393 120.400 -0.265 0.000 2.349 141 D HA 0.094 4.734 4.640 0.000 0.000 0.224 141 D C -0.005 176.222 176.300 -0.123 0.000 1.029 141 D CA 0.427 54.313 54.000 -0.191 0.000 0.879 141 D CB 0.040 40.734 40.800 -0.177 0.000 0.906 141 D HN 0.213 nan 8.370 nan 0.000 0.528 142 A N 0.284 123.003 122.820 -0.168 0.000 2.466 142 A HA 0.531 4.851 4.320 0.000 0.000 0.238 142 A C 0.988 178.553 177.584 -0.032 0.000 1.074 142 A CA 0.782 52.782 52.037 -0.061 0.000 0.774 142 A CB 0.290 19.248 19.000 -0.071 0.000 1.015 142 A HN 0.275 nan 8.150 nan 0.000 0.498 143 G N 0.496 109.293 108.800 -0.006 0.000 2.361 143 G HA2 0.354 4.314 3.960 0.000 0.000 0.305 143 G HA3 0.354 4.314 3.960 0.000 0.000 0.305 143 G C -2.581 172.327 174.900 0.013 0.000 1.367 143 G CA -0.002 45.097 45.100 -0.002 0.000 0.951 143 G HN 0.398 nan 8.290 nan 0.000 0.615 144 P HA 0.047 nan 4.420 nan 0.000 0.222 144 P C 1.002 178.319 177.300 0.028 0.000 1.147 144 P CA 1.695 64.807 63.100 0.020 0.000 0.790 144 P CB 0.033 31.741 31.700 0.013 0.000 0.780 145 D N -0.648 119.768 120.400 0.025 0.000 2.340 145 D HA 0.144 4.784 4.640 0.000 0.000 0.220 145 D C 0.446 176.779 176.300 0.054 0.000 1.039 145 D CA -0.187 53.832 54.000 0.031 0.000 0.866 145 D CB -0.226 40.585 40.800 0.019 0.000 0.913 145 D HN 0.080 nan 8.370 nan 0.000 0.523 146 A N 1.311 124.170 122.820 0.066 0.000 3.474 146 A HA 0.347 4.667 4.320 0.000 0.000 0.251 146 A C -2.141 175.467 177.584 0.040 0.000 1.062 146 A CA -0.764 51.336 52.037 0.106 0.000 0.945 146 A CB 0.907 19.981 19.000 0.123 0.000 1.296 146 A HN -0.051 nan 8.150 nan 0.000 0.592 147 P HA -0.152 nan 4.420 nan 0.000 0.237 147 P C 1.049 178.405 177.300 0.094 0.000 1.178 147 P CA 1.062 64.208 63.100 0.076 0.000 0.766 147 P CB -0.280 31.473 31.700 0.088 0.000 0.876 148 H N -1.463 117.602 119.070 -0.008 0.000 2.457 148 H HA -0.013 4.543 4.556 0.000 0.000 0.294 148 H C 0.228 175.607 175.328 0.086 0.000 1.064 148 H CA 0.394 56.460 56.048 0.029 0.000 1.330 148 H CB -1.781 27.912 29.762 -0.114 0.000 1.395 148 H HN 0.234 nan 8.280 nan 0.000 0.541 149 H N 0.485 119.234 119.070 -0.534 0.000 2.732 149 H HA 0.319 4.875 4.556 0.000 0.000 0.351 149 H C 0.636 175.931 175.328 -0.054 0.000 1.090 149 H CA 0.010 55.866 56.048 -0.318 0.000 1.431 149 H CB 0.921 30.422 29.762 -0.436 0.000 1.447 149 H HN 0.483 nan 8.280 nan 0.000 0.582 150 G N 0.927 109.845 108.800 0.196 0.000 2.415 150 G HA2 0.077 4.037 3.960 0.000 0.000 0.269 150 G HA3 0.077 4.037 3.960 0.000 0.000 0.269 150 G C 0.039 174.942 174.900 0.006 0.000 1.209 150 G CA -0.516 44.635 45.100 0.085 0.000 0.835 150 G HN 0.866 nan 8.290 nan 0.000 0.534 151 D N -0.999 119.389 120.400 -0.021 0.000 2.469 151 D HA 0.120 4.760 4.640 0.000 0.000 0.215 151 D C 1.139 177.388 176.300 -0.085 0.000 1.154 151 D CA -0.039 53.921 54.000 -0.067 0.000 0.832 151 D CB 0.827 41.598 40.800 -0.050 0.000 1.008 151 D HN 0.209 nan 8.370 nan 0.000 0.506 152 S N -0.911 114.750 115.700 -0.063 0.000 2.744 152 S HA 0.383 4.853 4.470 0.000 0.000 0.265 152 S C 0.935 175.505 174.600 -0.050 0.000 1.065 152 S CA -0.187 57.980 58.200 -0.055 0.000 1.191 152 S CB 1.229 64.412 63.200 -0.028 0.000 1.150 152 S HN 0.442 nan 8.310 nan 0.000 0.646 153 G N 2.691 111.459 108.800 -0.053 0.000 2.606 153 G HA2 0.347 4.307 3.960 0.000 0.000 0.252 153 G HA3 0.347 4.307 3.960 0.000 0.000 0.252 153 G C -1.559 173.308 174.900 -0.056 0.000 1.206 153 G CA -0.987 44.081 45.100 -0.053 0.000 0.861 153 G HN 0.048 nan 8.290 nan 0.000 0.561 154 P HA -0.044 nan 4.420 nan 0.000 0.221 154 P C 0.486 177.698 177.300 -0.146 0.000 1.150 154 P CA 0.532 63.497 63.100 -0.225 0.000 0.800 154 P CB 0.162 31.504 31.700 -0.597 0.000 0.787 155 V N 2.203 122.040 119.914 -0.129 0.000 2.334 155 V HA 0.140 4.260 4.120 0.000 0.000 0.267 155 V C 0.058 176.226 176.094 0.124 0.000 1.040 155 V CA -0.592 61.679 62.300 -0.048 0.000 0.866 155 V CB -0.431 31.348 31.823 -0.074 0.000 1.019 155 V HN 0.067 nan 8.190 nan 0.000 0.468 156 H N 5.142 124.151 119.070 -0.101 0.000 2.742 156 H HA 0.490 5.046 4.556 0.000 0.000 0.302 156 H C -0.161 175.129 175.328 -0.064 0.000 1.069 156 H CA -0.402 55.599 56.048 -0.078 0.000 1.446 156 H CB 0.556 30.274 29.762 -0.072 0.000 1.462 156 H HN 0.469 nan 8.280 nan 0.000 0.499 157 L N 5.029 126.258 121.223 0.010 0.000 2.329 157 L HA 0.525 4.865 4.340 0.000 0.000 0.279 157 L C 0.186 177.025 176.870 -0.051 0.000 1.014 157 L CA -0.732 54.097 54.840 -0.018 0.000 0.814 157 L CB 1.189 43.230 42.059 -0.030 0.000 1.257 157 L HN 0.580 nan 8.230 nan 0.000 0.424 158 M N 0.922 120.504 119.600 -0.029 0.000 2.619 158 M HA 0.563 5.043 4.480 0.000 0.000 0.297 158 M C -1.079 175.210 176.300 -0.018 0.000 1.229 158 M CA -0.856 54.422 55.300 -0.037 0.000 0.860 158 M CB 2.009 34.596 32.600 -0.020 0.000 1.741 158 M HN 0.288 nan 8.290 nan 0.000 0.462 159 N N 1.170 119.854 118.700 -0.027 0.000 2.514 159 N HA 0.300 5.040 4.740 0.000 0.000 0.277 159 N C -0.850 174.661 175.510 0.000 0.000 1.126 159 N CA -0.343 52.707 53.050 -0.000 0.000 0.978 159 N CB 1.824 40.294 38.487 -0.028 0.000 1.106 159 N HN 0.510 nan 8.380 nan 0.000 0.461 160 V N 4.375 124.325 119.914 0.059 0.000 2.485 160 V HA 0.083 4.203 4.120 0.000 0.000 0.287 160 V C -1.774 174.226 176.094 -0.156 0.000 1.022 160 V CA -1.014 61.303 62.300 0.029 0.000 1.067 160 V CB 0.263 32.204 31.823 0.198 0.000 0.967 160 V HN 0.541 nan 8.190 nan 0.000 0.479 161 P HA 0.183 nan 4.420 nan 0.000 0.271 161 P C -2.366 174.559 177.300 -0.625 0.000 1.216 161 P CA -1.526 61.383 63.100 -0.319 0.000 0.776 161 P CB -0.017 31.560 31.700 -0.205 0.000 0.881 162 P HA 0.077 nan 4.420 nan 0.000 0.225 162 P C 0.587 177.586 177.300 -0.501 0.000 1.768 162 P CA 0.149 62.569 63.100 -1.133 0.000 0.943 162 P CB -0.013 31.259 31.700 -0.714 0.000 1.936 163 K N 0.756 120.933 120.400 -0.371 0.000 2.186 163 K HA -0.055 4.265 4.320 0.000 0.000 0.202 163 K C 0.374 176.929 176.600 -0.075 0.000 1.052 163 K CA 0.282 56.469 56.287 -0.166 0.000 0.965 163 K CB -0.025 32.395 32.500 -0.134 0.000 0.746 163 K HN 0.050 nan 8.250 nan 0.000 0.457 164 D N 2.132 122.518 120.400 -0.023 0.000 2.346 164 D HA 0.018 4.658 4.640 0.000 0.000 0.260 164 D C -1.601 174.697 176.300 -0.004 0.000 1.252 164 D CA -2.193 51.829 54.000 0.038 0.000 0.895 164 D CB 1.534 42.419 40.800 0.141 0.000 1.097 164 D HN 0.082 nan 8.370 nan 0.000 0.489 165 P HA -0.121 nan 4.420 nan 0.000 0.218 165 P C 1.105 178.207 177.300 -0.329 0.000 1.149 165 P CA 0.933 64.011 63.100 -0.036 0.000 0.817 165 P CB 0.189 32.000 31.700 0.184 0.000 0.785 166 T N -0.522 113.539 114.554 -0.822 0.000 2.821 166 T HA -0.046 4.304 4.350 0.000 0.000 0.267 166 T C 2.143 176.271 174.700 -0.953 0.000 1.046 166 T CA 1.658 62.901 62.100 -1.429 0.000 1.139 166 T CB -1.101 66.893 68.868 -1.456 0.000 0.871 166 T HN 0.190 nan 8.240 nan 0.000 0.454 167 G N 1.359 109.797 108.800 -0.603 0.000 2.433 167 G HA2 -0.186 3.774 3.960 0.000 0.000 0.216 167 G HA3 -0.186 3.774 3.960 0.000 0.000 0.216 167 G C 1.698 176.360 174.900 -0.396 0.000 1.186 167 G CA 0.906 45.649 45.100 -0.595 0.000 0.779 167 G HN 0.424 nan 8.290 nan 0.000 0.543 168 V N 1.630 121.503 119.914 -0.069 0.000 2.332 168 V HA -0.171 3.949 4.120 0.000 0.000 0.248 168 V C 3.329 179.348 176.094 -0.126 0.000 1.055 168 V CA 2.158 64.457 62.300 -0.002 0.000 1.038 168 V CB -0.903 30.950 31.823 0.050 0.000 0.651 168 V HN 0.491 nan 8.190 nan 0.000 0.450 169 A N -0.483 122.224 122.820 -0.187 0.000 1.930 169 A HA -0.157 4.163 4.320 0.000 0.000 0.217 169 A C 2.149 179.591 177.584 -0.237 0.000 1.175 169 A CA 1.859 53.813 52.037 -0.138 0.000 0.627 169 A CB -0.513 18.477 19.000 -0.017 0.000 0.815 169 A HN 0.455 nan 8.150 nan 0.000 0.443 170 L N -0.771 120.190 121.223 -0.436 0.000 2.046 170 L HA -0.115 4.225 4.340 0.000 0.000 0.208 170 L C 2.102 178.777 176.870 -0.325 0.000 1.077 170 L CA 1.442 56.007 54.840 -0.459 0.000 0.747 170 L CB -0.391 41.212 42.059 -0.761 0.000 0.896 170 L HN 0.244 nan 8.230 nan 0.000 0.432 171 L N -0.449 120.582 121.223 -0.319 0.000 2.046 171 L HA -0.204 4.136 4.340 0.000 0.000 0.208 171 L C 2.252 179.039 176.870 -0.138 0.000 1.077 171 L CA 1.555 56.261 54.840 -0.224 0.000 0.747 171 L CB -1.559 40.377 42.059 -0.204 0.000 0.896 171 L HN 0.320 nan 8.230 nan 0.000 0.432 172 D N -0.434 119.896 120.400 -0.115 0.000 2.182 172 D HA -0.145 4.495 4.640 0.000 0.000 0.201 172 D C 2.187 178.445 176.300 -0.070 0.000 0.986 172 D CA 1.401 55.357 54.000 -0.072 0.000 0.847 172 D CB 0.053 40.824 40.800 -0.048 0.000 0.942 172 D HN 0.321 nan 8.370 nan 0.000 0.467 173 A N 0.177 122.940 122.820 -0.095 0.000 1.897 173 A HA -0.131 4.189 4.320 0.000 0.000 0.215 173 A C 2.514 180.056 177.584 -0.070 0.000 1.181 173 A CA 0.936 52.925 52.037 -0.080 0.000 0.620 173 A CB -0.864 18.072 19.000 -0.105 0.000 0.821 173 A HN 0.323 nan 8.150 nan 0.000 0.443 174 C N -0.415 118.831 119.300 -0.091 0.000 2.398 174 C HA -0.150 4.310 4.460 0.000 0.000 0.276 174 C C 2.661 177.626 174.990 -0.043 0.000 1.222 174 C CA 1.385 60.363 59.018 -0.067 0.000 1.746 174 C CB -1.339 26.349 27.740 -0.087 0.000 2.039 174 C HN 0.686 nan 8.230 nan 0.000 0.470 175 E N 0.095 120.266 120.200 -0.048 0.000 2.085 175 E HA -0.267 4.083 4.350 0.000 0.000 0.194 175 E C 2.226 178.813 176.600 -0.023 0.000 0.994 175 E CA 1.333 57.714 56.400 -0.032 0.000 0.801 175 E CB -0.258 29.421 29.700 -0.035 0.000 0.743 175 E HN 0.701 nan 8.360 nan 0.000 0.453 176 Q N -0.127 119.657 119.800 -0.025 0.000 2.170 176 Q HA -0.078 4.262 4.340 0.000 0.000 0.203 176 Q C 1.829 177.822 176.000 -0.011 0.000 0.976 176 Q CA 1.178 56.971 55.803 -0.017 0.000 0.858 176 Q CB -0.003 28.723 28.738 -0.019 0.000 0.907 176 Q HN 0.193 nan 8.270 nan 0.000 0.433 177 A N -0.017 122.796 122.820 -0.012 0.000 2.238 177 A HA 0.334 4.654 4.320 0.000 0.000 0.208 177 A C 1.344 178.930 177.584 0.003 0.000 1.177 177 A CA 0.649 52.684 52.037 -0.003 0.000 0.804 177 A CB -0.280 18.719 19.000 -0.002 0.000 0.823 177 A HN 0.432 nan 8.150 nan 0.000 0.482 178 G N -0.828 107.972 108.800 0.000 0.000 2.132 178 G HA2 -0.197 3.764 3.960 0.000 0.000 0.234 178 G HA3 -0.197 3.764 3.960 0.000 0.000 0.234 178 G C -0.037 174.869 174.900 0.011 0.000 0.989 178 G CA 0.196 45.299 45.100 0.005 0.000 0.676 178 G HN 0.524 nan 8.290 nan 0.000 0.522 179 I N 2.506 123.079 120.570 0.005 0.000 2.371 179 I HA 0.295 4.465 4.170 0.000 0.000 0.282 179 I C -1.866 174.251 176.117 -0.001 0.000 1.031 179 I CA -2.363 58.945 61.300 0.014 0.000 1.180 179 I CB 1.681 39.690 38.000 0.016 0.000 1.336 179 I HN -0.088 nan 8.210 nan 0.000 0.467 180 P HA 0.172 nan 4.420 nan 0.000 0.274 180 P C -0.485 176.799 177.300 -0.027 0.000 1.237 180 P CA -0.490 62.602 63.100 -0.013 0.000 0.793 180 P CB 0.701 32.397 31.700 -0.006 0.000 0.977 181 R N 0.545 121.014 120.500 -0.050 0.000 2.570 181 R HA 0.430 4.770 4.340 0.000 0.000 0.277 181 R C 0.130 176.379 176.300 -0.086 0.000 1.039 181 R CA 0.325 56.374 56.100 -0.084 0.000 1.065 181 R CB 0.045 30.296 30.300 -0.082 0.000 0.964 181 R HN 0.567 nan 8.270 nan 0.000 0.428 182 A N 3.186 125.918 122.820 -0.147 0.000 2.449 182 A HA 0.354 4.674 4.320 0.000 0.000 0.302 182 A C -0.887 176.520 177.584 -0.296 0.000 1.048 182 A CA -0.914 51.043 52.037 -0.134 0.000 0.708 182 A CB 1.326 20.314 19.000 -0.020 0.000 1.274 182 A HN 0.577 nan 8.150 nan 0.000 0.410 183 K N 1.375 121.668 120.400 -0.179 0.000 2.270 183 K HA 0.388 4.708 4.320 0.000 0.000 0.276 183 K C -1.033 175.533 176.600 -0.056 0.000 1.023 183 K CA 0.451 56.631 56.287 -0.178 0.000 0.955 183 K CB 0.559 33.023 32.500 -0.060 0.000 0.975 183 K HN 0.599 nan 8.250 nan 0.000 0.471 184 F N 1.417 121.426 119.950 0.098 0.000 2.378 184 F HA 0.117 4.644 4.527 0.000 0.000 0.325 184 F C 1.062 176.882 175.800 0.034 0.000 1.097 184 F CA -0.859 57.226 58.000 0.143 0.000 1.079 184 F CB 0.797 39.905 39.000 0.180 0.000 1.240 184 F HN 0.618 nan 8.300 nan 0.000 0.519 185 N N -0.110 118.718 118.700 0.213 0.000 2.747 185 N HA -0.179 4.561 4.740 0.000 0.000 0.249 185 N C 0.852 176.179 175.510 -0.304 0.000 1.107 185 N CA 1.144 54.094 53.050 -0.165 0.000 0.707 185 N CB -1.715 36.698 38.487 -0.124 0.000 1.054 185 N HN 0.840 nan 8.380 nan 0.000 0.555 186 T N -4.428 110.012 114.554 -0.191 0.000 3.100 186 T HA 0.353 4.703 4.350 0.000 0.000 0.253 186 T C 1.584 175.849 174.700 -0.725 0.000 1.118 186 T CA 1.400 63.327 62.100 -0.289 0.000 1.058 186 T CB 0.499 69.295 68.868 -0.121 0.000 0.953 186 T HN 0.791 nan 8.240 nan 0.000 0.515 187 G N 0.553 109.004 108.800 -0.582 0.000 2.234 187 G HA2 -0.213 3.747 3.960 0.000 0.000 0.235 187 G HA3 -0.213 3.747 3.960 0.000 0.000 0.235 187 G C 0.229 175.183 174.900 0.091 0.000 0.997 187 G CA 0.100 45.082 45.100 -0.197 0.000 0.623 187 G HN 0.731 nan 8.290 nan 0.000 0.514 188 T N 2.513 117.048 114.554 -0.031 0.000 2.771 188 T HA 0.559 4.909 4.350 0.000 0.000 0.281 188 T C 0.334 175.050 174.700 0.027 0.000 0.982 188 T CA 0.226 62.333 62.100 0.011 0.000 0.978 188 T CB 1.603 70.457 68.868 -0.022 0.000 0.930 188 T HN 0.250 nan 8.240 nan 0.000 0.447 189 T N 3.097 117.670 114.554 0.031 0.000 2.908 189 T HA 0.132 4.482 4.350 0.000 0.000 0.301 189 T C 0.527 175.205 174.700 -0.036 0.000 1.019 189 T CA -0.248 61.845 62.100 -0.011 0.000 1.152 189 T CB 0.226 69.084 68.868 -0.018 0.000 0.966 189 T HN 0.330 nan 8.240 nan 0.000 0.540 190 V N 5.837 125.697 119.914 -0.089 0.000 2.372 190 V HA 0.072 4.192 4.120 0.000 0.000 0.261 190 V C 1.187 177.196 176.094 -0.141 0.000 1.055 190 V CA -0.040 62.231 62.300 -0.048 0.000 0.930 190 V CB 0.782 32.682 31.823 0.129 0.000 1.031 190 V HN 0.844 nan 8.190 nan 0.000 0.479 191 V N 3.746 123.645 119.914 -0.024 0.000 2.575 191 V HA 0.115 4.235 4.120 0.000 0.000 0.242 191 V C 0.857 177.007 176.094 0.093 0.000 1.045 191 V CA 0.897 63.202 62.300 0.008 0.000 1.065 191 V CB -0.113 31.719 31.823 0.015 0.000 0.717 191 V HN 0.886 nan 8.190 nan 0.000 0.467 192 N N 0.297 119.057 118.700 0.100 0.000 2.576 192 N HA 0.557 5.297 4.740 0.000 0.000 0.269 192 N C -0.539 175.050 175.510 0.131 0.000 1.058 192 N CA 0.583 53.705 53.050 0.120 0.000 0.860 192 N CB 1.316 39.848 38.487 0.074 0.000 1.249 192 N HN 0.408 nan 8.380 nan 0.000 0.525 193 G N 0.608 109.529 108.800 0.202 0.000 2.338 193 G HA2 0.686 4.647 3.960 0.000 0.000 0.295 193 G HA3 0.686 4.647 3.960 0.000 0.000 0.295 193 G C -1.992 173.055 174.900 0.245 0.000 1.461 193 G CA -0.129 45.076 45.100 0.174 0.000 0.817 193 G HN 0.674 nan 8.290 nan 0.000 0.556 194 A N -0.091 122.786 122.820 0.095 0.000 2.587 194 A HA 0.948 5.268 4.320 0.000 0.000 0.293 194 A C -0.622 176.851 177.584 -0.184 0.000 1.087 194 A CA -0.385 51.677 52.037 0.041 0.000 0.692 194 A CB 1.880 20.851 19.000 -0.049 0.000 1.291 194 A HN 1.339 nan 8.150 nan 0.000 0.407 195 N N -1.094 117.455 118.700 -0.253 0.000 3.348 195 N HA 0.428 5.168 4.740 0.000 0.000 0.233 195 N C -1.474 173.830 175.510 -0.343 0.000 1.440 195 N CA -0.818 51.997 53.050 -0.391 0.000 0.887 195 N CB 0.548 38.622 38.487 -0.688 0.000 1.410 195 N HN 0.475 nan 8.380 nan 0.000 0.502 196 F N 1.772 121.597 119.950 -0.209 0.000 2.607 196 F HA 0.188 4.715 4.527 0.000 0.000 0.374 196 F C 0.494 176.301 175.800 0.011 0.000 1.104 196 F CA 0.488 58.409 58.000 -0.131 0.000 1.296 196 F CB 0.177 39.130 39.000 -0.078 0.000 1.085 196 F HN 0.232 nan 8.300 nan 0.000 0.584 197 F N 1.579 121.757 119.950 0.382 0.000 2.485 197 F HA 0.109 4.636 4.527 0.000 0.000 0.327 197 F C 0.814 176.711 175.800 0.161 0.000 1.203 197 F CA -0.517 57.660 58.000 0.295 0.000 1.295 197 F CB 0.361 39.435 39.000 0.123 0.000 1.191 197 F HN 0.347 nan 8.300 nan 0.000 0.588 198 Q N 2.342 122.310 119.800 0.279 0.000 2.259 198 Q HA 0.509 4.849 4.340 0.000 0.000 0.249 198 Q C -0.626 175.392 176.000 0.030 0.000 0.914 198 Q CA -0.508 55.349 55.803 0.091 0.000 0.904 198 Q CB 1.939 30.677 28.738 0.001 0.000 1.213 198 Q HN 0.511 nan 8.270 nan 0.000 0.428 199 I N -0.468 120.118 120.570 0.027 0.000 2.689 199 I HA 0.381 4.551 4.170 0.000 0.000 0.299 199 I C -0.343 175.767 176.117 -0.012 0.000 1.059 199 I CA -1.278 60.018 61.300 -0.006 0.000 1.055 199 I CB 1.889 39.906 38.000 0.028 0.000 1.243 199 I HN 0.457 nan 8.210 nan 0.000 0.425 200 N N 5.488 124.174 118.700 -0.023 0.000 2.739 200 N HA 0.229 4.969 4.740 0.000 0.000 0.266 200 N C -0.779 174.727 175.510 -0.008 0.000 1.168 200 N CA -0.311 52.734 53.050 -0.007 0.000 1.055 200 N CB 0.682 39.165 38.487 -0.006 0.000 1.393 200 N HN 0.745 nan 8.380 nan 0.000 0.514 201 R N 1.342 121.846 120.500 0.006 0.000 2.673 201 R HA 0.357 4.697 4.340 0.000 0.000 0.281 201 R C -0.349 175.961 176.300 0.017 0.000 0.991 201 R CA -0.696 55.405 56.100 0.002 0.000 0.896 201 R CB 2.224 32.527 30.300 0.005 0.000 1.201 201 R HN 0.389 nan 8.270 nan 0.000 0.457 202 R N 1.101 121.597 120.500 -0.007 0.000 2.583 202 R HA 0.245 4.585 4.340 0.000 0.000 0.268 202 R C 1.096 177.405 176.300 0.015 0.000 1.101 202 R CA 0.305 56.408 56.100 0.005 0.000 1.180 202 R CB 0.636 30.895 30.300 -0.068 0.000 1.128 202 R HN 0.778 nan 8.270 nan 0.000 0.568 203 A N 1.482 124.320 122.820 0.029 0.000 1.917 203 A HA -0.230 4.090 4.320 0.000 0.000 0.219 203 A C 1.452 179.037 177.584 0.003 0.000 1.182 203 A CA 2.182 54.227 52.037 0.014 0.000 0.633 203 A CB -0.590 18.420 19.000 0.017 0.000 0.819 203 A HN 0.863 nan 8.150 nan 0.000 0.448 204 D N -2.152 118.249 120.400 0.002 0.000 2.363 204 D HA 0.255 4.896 4.640 0.000 0.000 0.226 204 D C 1.142 177.445 176.300 0.004 0.000 1.020 204 D CA 1.123 55.124 54.000 0.002 0.000 0.892 204 D CB -0.508 40.293 40.800 0.001 0.000 0.900 204 D HN 0.902 nan 8.370 nan 0.000 0.531 205 G N -0.692 108.110 108.800 0.004 0.000 2.195 205 G HA2 -0.233 3.727 3.960 0.000 0.000 0.224 205 G HA3 -0.233 3.727 3.960 0.000 0.000 0.224 205 G C 0.340 175.249 174.900 0.016 0.000 0.990 205 G CA 0.152 45.258 45.100 0.011 0.000 0.639 205 G HN 0.435 nan 8.290 nan 0.000 0.514 206 T N 2.497 117.054 114.554 0.004 0.000 2.814 206 T HA 0.465 4.815 4.350 0.000 0.000 0.297 206 T C 0.950 175.643 174.700 -0.012 0.000 0.956 206 T CA 0.040 62.140 62.100 -0.000 0.000 1.123 206 T CB 0.590 69.450 68.868 -0.012 0.000 0.902 206 T HN 0.747 nan 8.240 nan 0.000 0.528 207 R N 2.100 122.599 120.500 -0.002 0.000 2.585 207 R HA 0.138 4.478 4.340 0.000 0.000 0.275 207 R C 0.294 176.564 176.300 -0.050 0.000 1.018 207 R CA -0.136 55.955 56.100 -0.014 0.000 1.072 207 R CB 0.144 30.445 30.300 0.001 0.000 0.953 207 R HN 0.370 nan 8.270 nan 0.000 0.419 208 S N 2.688 118.354 115.700 -0.057 0.000 3.983 208 S HA 0.038 4.508 4.470 0.000 0.000 0.194 208 S C 0.042 174.597 174.600 -0.074 0.000 1.464 208 S CA -0.323 57.820 58.200 -0.095 0.000 1.021 208 S CB -0.622 62.530 63.200 -0.081 0.000 1.424 208 S HN 0.730 nan 8.310 nan 0.000 0.473 209 S N 1.611 117.268 115.700 -0.072 0.000 2.596 209 S HA 0.101 4.571 4.470 0.000 0.000 0.260 209 S C 1.672 176.252 174.600 -0.033 0.000 1.336 209 S CA -0.064 58.112 58.200 -0.040 0.000 0.993 209 S CB 0.861 64.037 63.200 -0.039 0.000 0.923 209 S HN 0.652 nan 8.310 nan 0.000 0.567 210 S N 1.062 116.790 115.700 0.046 0.000 2.400 210 S HA -0.184 4.286 4.470 0.000 0.000 0.232 210 S C 1.964 176.623 174.600 0.099 0.000 1.025 210 S CA 1.245 59.551 58.200 0.178 0.000 0.993 210 S CB -1.419 61.873 63.200 0.154 0.000 0.808 210 S HN 1.005 nan 8.310 nan 0.000 0.478 211 S N 1.940 117.617 115.700 -0.037 0.000 2.345 211 S HA -0.030 4.440 4.470 0.000 0.000 0.220 211 S C 1.892 176.154 174.600 -0.564 0.000 1.031 211 S CA 1.004 59.113 58.200 -0.152 0.000 0.996 211 S CB -1.193 61.972 63.200 -0.059 0.000 0.882 211 S HN 0.368 nan 8.310 nan 0.000 0.445 212 V N 2.423 121.950 119.914 -0.644 0.000 2.287 212 V HA -0.188 3.932 4.120 0.000 0.000 0.248 212 V C 2.885 178.726 176.094 -0.421 0.000 1.053 212 V CA 2.279 64.136 62.300 -0.739 0.000 1.027 212 V CB -1.162 30.467 31.823 -0.324 0.000 0.646 212 V HN 0.577 nan 8.190 nan 0.000 0.447 213 S N -1.564 113.957 115.700 -0.298 0.000 2.345 213 S HA -0.107 4.364 4.470 0.000 0.000 0.219 213 S C 1.851 176.262 174.600 -0.315 0.000 1.031 213 S CA 1.545 59.549 58.200 -0.327 0.000 0.984 213 S CB -0.349 62.615 63.200 -0.393 0.000 0.874 213 S HN 0.635 nan 8.310 nan 0.000 0.451 214 Y N 0.187 120.394 120.300 -0.154 0.000 2.436 214 Y HA 0.264 4.814 4.550 0.000 0.000 0.288 214 Y C 2.019 177.813 175.900 -0.177 0.000 1.112 214 Y CA 0.158 58.172 58.100 -0.142 0.000 1.220 214 Y CB 0.156 38.541 38.460 -0.125 0.000 1.073 214 Y HN 0.178 nan 8.280 nan 0.000 0.552 215 I N -1.085 119.484 120.570 -0.002 0.000 2.947 215 I HA -0.101 4.069 4.170 0.000 0.000 0.263 215 I C 1.878 178.041 176.117 0.077 0.000 1.130 215 I CA 1.090 62.376 61.300 -0.023 0.000 1.448 215 I CB -1.406 36.638 38.000 0.074 0.000 1.222 215 I HN 0.301 nan 8.210 nan 0.000 0.453 216 H N 1.529 120.583 119.070 -0.026 0.000 2.353 216 H HA -0.124 4.432 4.556 0.000 0.000 0.298 216 H C -0.561 174.751 175.328 -0.028 0.000 1.103 216 H CA 1.228 57.261 56.048 -0.024 0.000 1.293 216 H CB -1.219 28.523 29.762 -0.032 0.000 1.372 216 H HN 0.307 nan 8.280 nan 0.000 0.501 217 P HA -0.087 nan 4.420 nan 0.000 0.226 217 P C 1.002 178.304 177.300 0.005 0.000 1.153 217 P CA 1.151 64.262 63.100 0.019 0.000 0.777 217 P CB -0.078 31.610 31.700 -0.020 0.000 0.794 218 I N -6.564 113.992 120.570 -0.023 0.000 4.081 218 I HA 0.137 4.307 4.170 0.000 0.000 0.333 218 I C 1.069 177.222 176.117 0.061 0.000 1.413 218 I CA -0.096 61.170 61.300 -0.056 0.000 1.110 218 I CB 0.020 37.884 38.000 -0.228 0.000 1.082 218 I HN -0.353 nan 8.210 nan 0.000 0.402 219 V N 1.209 121.206 119.914 0.139 0.000 2.594 219 V HA -0.110 4.010 4.120 0.000 0.000 0.253 219 V C 2.097 178.345 176.094 0.257 0.000 1.069 219 V CA 1.615 64.087 62.300 0.288 0.000 1.082 219 V CB -0.772 31.158 31.823 0.178 0.000 0.680 219 V HN 0.465 nan 8.190 nan 0.000 0.469 220 E N -0.346 119.952 120.200 0.164 0.000 2.465 220 E HA 0.096 4.446 4.350 0.000 0.000 0.191 220 E C 0.883 177.564 176.600 0.134 0.000 1.053 220 E CA -0.093 56.386 56.400 0.133 0.000 0.869 220 E CB 0.053 29.806 29.700 0.087 0.000 0.977 220 E HN 0.668 nan 8.360 nan 0.000 0.483 221 Q N 0.445 120.346 119.800 0.167 0.000 2.330 221 Q HA 0.046 4.386 4.340 0.000 0.000 0.279 221 Q C 1.374 177.478 176.000 0.173 0.000 1.024 221 Q CA 0.591 56.485 55.803 0.153 0.000 0.900 221 Q CB 0.783 29.612 28.738 0.152 0.000 1.221 221 Q HN 0.313 nan 8.270 nan 0.000 0.396 222 E N 2.776 123.052 120.200 0.126 0.000 2.153 222 E HA -0.227 4.123 4.350 0.000 0.000 0.194 222 E C 0.899 177.579 176.600 0.133 0.000 0.988 222 E CA 1.690 58.156 56.400 0.111 0.000 0.811 222 E CB -0.537 29.210 29.700 0.079 0.000 0.746 222 E HN 0.855 nan 8.360 nan 0.000 0.466 223 N N -1.185 117.612 118.700 0.163 0.000 2.280 223 N HA 0.124 4.864 4.740 0.000 0.000 0.192 223 N C -0.322 175.348 175.510 0.267 0.000 1.109 223 N CA -0.289 52.873 53.050 0.187 0.000 0.855 223 N CB -0.084 38.501 38.487 0.164 0.000 0.974 223 N HN 0.342 nan 8.380 nan 0.000 0.482 224 F N 1.454 121.464 119.950 0.100 0.000 2.444 224 F HA 0.525 5.052 4.527 0.000 0.000 0.342 224 F C -0.814 175.039 175.800 0.088 0.000 1.121 224 F CA -0.646 57.404 58.000 0.082 0.000 0.997 224 F CB 1.778 40.813 39.000 0.058 0.000 1.130 224 F HN -0.231 nan 8.300 nan 0.000 0.454 225 T N 7.808 121.928 114.554 -0.724 0.000 2.815 225 T HA 0.433 4.783 4.350 0.000 0.000 0.289 225 T C -1.226 172.919 174.700 -0.925 0.000 1.000 225 T CA -0.411 61.338 62.100 -0.585 0.000 0.958 225 T CB 1.074 69.836 68.868 -0.176 0.000 0.944 225 T HN 0.543 nan 8.240 nan 0.000 0.442 226 L N 5.123 125.987 121.223 -0.599 0.000 2.272 226 L HA 0.637 4.978 4.340 0.000 0.000 0.289 226 L C -1.477 175.385 176.870 -0.013 0.000 1.032 226 L CA -0.525 54.137 54.840 -0.297 0.000 0.810 226 L CB 0.463 42.514 42.059 -0.013 0.000 1.205 226 L HN 0.522 nan 8.230 nan 0.000 0.422 227 L N 5.277 126.472 121.223 -0.046 0.000 2.316 227 L HA 0.630 4.970 4.340 0.000 0.000 0.280 227 L C 0.297 177.207 176.870 0.066 0.000 1.006 227 L CA -0.188 54.655 54.840 0.005 0.000 0.836 227 L CB 1.684 43.702 42.059 -0.068 0.000 1.221 227 L HN 0.737 nan 8.230 nan 0.000 0.418 228 T N -1.484 113.158 114.554 0.147 0.000 2.950 228 T HA 0.692 5.042 4.350 0.000 0.000 0.288 228 T C 0.872 175.623 174.700 0.086 0.000 1.035 228 T CA -0.229 61.956 62.100 0.143 0.000 1.028 228 T CB 1.773 70.777 68.868 0.227 0.000 1.109 228 T HN 0.923 nan 8.240 nan 0.000 0.514 229 G N 0.331 109.172 108.800 0.068 0.000 2.198 229 G HA2 -0.169 3.791 3.960 0.000 0.000 0.260 229 G HA3 -0.169 3.791 3.960 0.000 0.000 0.260 229 G C -0.260 174.667 174.900 0.044 0.000 1.025 229 G CA 0.312 45.435 45.100 0.039 0.000 0.769 229 G HN 0.890 nan 8.290 nan 0.000 0.507 230 L N -0.471 120.788 121.223 0.061 0.000 2.406 230 L HA 0.582 4.922 4.340 0.000 0.000 0.272 230 L C 0.377 177.306 176.870 0.099 0.000 0.980 230 L CA -0.942 53.937 54.840 0.066 0.000 0.831 230 L CB 2.049 44.130 42.059 0.035 0.000 1.253 230 L HN 0.219 nan 8.230 nan 0.000 0.406 231 R N 2.985 123.558 120.500 0.122 0.000 2.295 231 R HA 0.717 5.057 4.340 0.000 0.000 0.324 231 R C -0.413 175.939 176.300 0.088 0.000 0.968 231 R CA -0.448 55.760 56.100 0.180 0.000 0.837 231 R CB 1.594 32.067 30.300 0.289 0.000 1.133 231 R HN 0.703 nan 8.270 nan 0.000 0.450 232 A N 4.402 127.258 122.820 0.061 0.000 2.450 232 A HA 0.154 4.474 4.320 0.000 0.000 0.255 232 A C 0.824 178.345 177.584 -0.105 0.000 1.096 232 A CA -0.429 51.588 52.037 -0.034 0.000 0.778 232 A CB 0.305 19.291 19.000 -0.023 0.000 1.031 232 A HN 1.061 nan 8.150 nan 0.000 0.494 233 R N 1.161 121.482 120.500 -0.299 0.000 2.250 233 R HA 0.287 4.627 4.340 0.000 0.000 0.194 233 R C 0.463 176.610 176.300 -0.254 0.000 0.927 233 R CA 0.230 56.010 56.100 -0.533 0.000 1.052 233 R CB 0.396 29.895 30.300 -1.336 0.000 1.055 233 R HN 0.693 nan 8.270 nan 0.000 0.537 234 Q N 0.646 120.337 119.800 -0.181 0.000 2.426 234 Q HA 0.385 4.725 4.340 0.000 0.000 0.278 234 Q C -1.693 174.251 176.000 -0.092 0.000 1.007 234 Q CA -0.684 55.062 55.803 -0.096 0.000 0.850 234 Q CB 2.375 31.061 28.738 -0.087 0.000 1.427 234 Q HN 0.125 nan 8.270 nan 0.000 0.391 235 L N 1.671 122.855 121.223 -0.064 0.000 2.399 235 L HA 0.570 4.910 4.340 0.000 0.000 0.266 235 L C -0.440 176.278 176.870 -0.254 0.000 1.114 235 L CA -0.741 53.987 54.840 -0.187 0.000 0.804 235 L CB 1.332 43.262 42.059 -0.214 0.000 1.146 235 L HN 0.326 nan 8.230 nan 0.000 0.451 236 V N 2.157 121.815 119.914 -0.427 0.000 2.555 236 V HA 0.488 4.609 4.120 0.000 0.000 0.302 236 V C -0.651 175.113 176.094 -0.551 0.000 1.038 236 V CA -0.440 61.680 62.300 -0.299 0.000 0.887 236 V CB 1.624 33.350 31.823 -0.163 0.000 0.991 236 V HN 0.383 nan 8.190 nan 0.000 0.434 237 F N 0.934 120.875 119.950 -0.016 0.000 2.565 237 F HA 0.481 5.008 4.527 0.000 0.000 0.313 237 F C 0.442 176.235 175.800 -0.012 0.000 1.091 237 F CA -1.007 56.986 58.000 -0.012 0.000 0.915 237 F CB 1.376 40.369 39.000 -0.013 0.000 1.208 237 F HN 0.412 nan 8.300 nan 0.000 0.453 238 D N 1.140 121.640 120.400 0.166 0.000 2.461 238 D HA 0.253 4.893 4.640 0.000 0.000 0.231 238 D C 0.866 177.226 176.300 0.101 0.000 1.208 238 D CA 1.812 55.874 54.000 0.104 0.000 0.879 238 D CB 0.459 41.308 40.800 0.081 0.000 1.220 238 D HN 0.861 nan 8.370 nan 0.000 0.480 239 A N 2.216 125.069 122.820 0.055 0.000 4.856 239 A HA -0.295 4.025 4.320 0.000 0.000 0.322 239 A C 1.111 178.713 177.584 0.030 0.000 1.914 239 A CA 1.517 53.575 52.037 0.035 0.000 0.719 239 A CB -1.492 17.528 19.000 0.033 0.000 1.353 239 A HN 0.648 nan 8.150 nan 0.000 0.388 240 D N 1.179 121.601 120.400 0.037 0.000 2.336 240 D HA 0.338 4.978 4.640 0.000 0.000 0.228 240 D C 0.735 177.060 176.300 0.042 0.000 1.120 240 D CA 0.624 54.642 54.000 0.030 0.000 0.839 240 D CB 0.005 40.822 40.800 0.029 0.000 0.932 240 D HN 0.559 nan 8.370 nan 0.000 0.509 241 R N 0.239 120.778 120.500 0.066 0.000 3.770 241 R HA -0.188 4.152 4.340 0.000 0.000 0.305 241 R C 0.325 176.743 176.300 0.197 0.000 1.184 241 R CA 0.346 56.493 56.100 0.077 0.000 0.823 241 R CB -1.622 28.649 30.300 -0.048 0.000 1.285 241 R HN 0.209 nan 8.270 nan 0.000 0.499 242 R N 0.847 121.461 120.500 0.191 0.000 2.265 242 R HA 0.172 4.512 4.340 0.000 0.000 0.314 242 R C -0.009 176.417 176.300 0.210 0.000 1.053 242 R CA -0.226 55.980 56.100 0.176 0.000 0.931 242 R CB 0.897 31.245 30.300 0.081 0.000 1.024 242 R HN 0.261 nan 8.270 nan 0.000 0.457 243 C N 4.811 124.204 119.300 0.154 0.000 2.651 243 C HA 0.107 4.567 4.460 0.000 0.000 0.410 243 C C 1.820 176.702 174.990 -0.180 0.000 1.372 243 C CA 0.194 59.056 59.018 -0.260 0.000 1.707 243 C CB -0.484 27.088 27.740 -0.279 0.000 2.501 243 C HN 0.948 nan 8.230 nan 0.000 0.598 244 T N 2.398 116.820 114.554 -0.220 0.000 3.023 244 T HA 0.529 4.880 4.350 0.000 0.000 0.253 244 T C 0.746 175.375 174.700 -0.118 0.000 1.038 244 T CA 0.527 62.556 62.100 -0.119 0.000 0.962 244 T CB 0.254 69.078 68.868 -0.074 0.000 1.018 244 T HN 1.419 nan 8.240 nan 0.000 0.521 245 G N 0.196 108.887 108.800 -0.180 0.000 2.367 245 G HA2 0.416 4.376 3.960 0.000 0.000 0.272 245 G HA3 0.416 4.376 3.960 0.000 0.000 0.272 245 G C -2.093 172.713 174.900 -0.157 0.000 1.271 245 G CA -0.018 45.009 45.100 -0.122 0.000 0.893 245 G HN 0.699 nan 8.290 nan 0.000 0.485 246 V N 0.492 120.348 119.914 -0.097 0.000 2.777 246 V HA 0.625 4.745 4.120 0.000 0.000 0.306 246 V C -1.628 174.422 176.094 -0.073 0.000 1.112 246 V CA -0.806 61.435 62.300 -0.098 0.000 0.917 246 V CB 2.043 33.819 31.823 -0.079 0.000 1.018 246 V HN 0.718 nan 8.190 nan 0.000 0.426 247 D N 6.061 126.402 120.400 -0.098 0.000 2.264 247 D HA 0.559 5.199 4.640 0.000 0.000 0.250 247 D C -0.043 176.187 176.300 -0.117 0.000 1.113 247 D CA 0.374 54.311 54.000 -0.105 0.000 0.871 247 D CB 1.469 42.179 40.800 -0.149 0.000 1.167 247 D HN 0.735 nan 8.370 nan 0.000 0.447 248 I N -1.309 119.223 120.570 -0.063 0.000 2.934 248 I HA 0.731 4.901 4.170 0.000 0.000 0.306 248 I C -0.656 175.471 176.117 0.015 0.000 1.110 248 I CA -1.236 60.044 61.300 -0.033 0.000 1.019 248 I CB 2.215 40.229 38.000 0.024 0.000 1.227 248 I HN 0.106 nan 8.210 nan 0.000 0.434 249 V N -0.066 119.870 119.914 0.037 0.000 2.876 249 V HA 0.521 4.641 4.120 0.000 0.000 0.312 249 V C -0.382 175.791 176.094 0.131 0.000 1.085 249 V CA -0.348 62.017 62.300 0.108 0.000 0.945 249 V CB 1.812 33.687 31.823 0.087 0.000 1.017 249 V HN 0.927 nan 8.190 nan 0.000 0.428 250 D N 1.696 122.187 120.400 0.152 0.000 2.327 250 D HA 0.182 4.822 4.640 0.000 0.000 0.205 250 D C 0.665 177.012 176.300 0.077 0.000 0.989 250 D CA 1.362 55.423 54.000 0.101 0.000 0.873 250 D CB 0.471 41.330 40.800 0.099 0.000 0.955 250 D HN 1.055 nan 8.370 nan 0.000 0.515 251 S N -2.020 113.731 115.700 0.084 0.000 2.550 251 S HA 0.635 5.106 4.470 0.000 0.000 0.270 251 S C 0.907 175.494 174.600 -0.021 0.000 1.145 251 S CA -0.299 57.921 58.200 0.033 0.000 0.852 251 S CB 1.259 64.492 63.200 0.055 0.000 1.119 251 S HN -0.027 nan 8.310 nan 0.000 0.465 252 A N 0.977 123.671 122.820 -0.209 0.000 1.958 252 A HA 0.044 4.364 4.320 0.000 0.000 0.221 252 A C 1.066 178.294 177.584 -0.593 0.000 1.178 252 A CA 1.587 53.321 52.037 -0.504 0.000 0.642 252 A CB -0.994 17.435 19.000 -0.953 0.000 0.816 252 A HN 0.898 nan 8.150 nan 0.000 0.453 253 F N -0.643 119.366 119.950 0.097 0.000 2.639 253 F HA 0.372 4.899 4.527 0.000 0.000 0.302 253 F C 1.481 177.333 175.800 0.088 0.000 1.097 253 F CA -0.256 57.795 58.000 0.084 0.000 1.294 253 F CB 0.029 39.060 39.000 0.051 0.000 1.027 253 F HN 0.247 nan 8.300 nan 0.000 0.550 254 G N -1.137 107.767 108.800 0.173 0.000 2.537 254 G HA2 0.180 4.140 3.960 0.000 0.000 0.297 254 G HA3 0.180 4.140 3.960 0.000 0.000 0.297 254 G C -1.257 173.713 174.900 0.118 0.000 1.310 254 G CA -0.476 44.721 45.100 0.162 0.000 1.027 254 G HN 0.242 nan 8.290 nan 0.000 0.505 255 H N -1.157 117.912 119.070 -0.002 0.000 2.871 255 H HA 0.313 4.869 4.556 0.000 0.000 0.355 255 H C 0.368 175.542 175.328 -0.257 0.000 1.092 255 H CA 0.589 56.553 56.048 -0.141 0.000 1.420 255 H CB 0.509 30.141 29.762 -0.218 0.000 1.400 255 H HN 0.272 nan 8.280 nan 0.000 0.604 256 T N 5.916 120.052 114.554 -0.696 0.000 2.771 256 T HA 0.193 4.543 4.350 0.000 0.000 0.291 256 T C -0.410 173.991 174.700 -0.498 0.000 0.954 256 T CA -0.565 61.259 62.100 -0.459 0.000 1.045 256 T CB 0.082 68.739 68.868 -0.352 0.000 0.917 256 T HN 0.519 nan 8.240 nan 0.000 0.484 257 H N 2.062 121.119 119.070 -0.023 0.000 2.595 257 H HA 0.632 5.188 4.556 0.000 0.000 0.346 257 H C 0.065 175.386 175.328 -0.012 0.000 1.181 257 H CA -0.842 55.229 56.048 0.037 0.000 1.242 257 H CB 1.861 31.664 29.762 0.068 0.000 1.652 257 H HN 0.416 nan 8.280 nan 0.000 0.548 258 R N 1.315 121.897 120.500 0.136 0.000 2.628 258 R HA 0.461 4.801 4.340 0.000 0.000 0.288 258 R C -1.544 174.803 176.300 0.078 0.000 0.980 258 R CA -0.619 55.516 56.100 0.058 0.000 0.891 258 R CB 1.371 31.680 30.300 0.015 0.000 1.188 258 R HN 0.459 nan 8.270 nan 0.000 0.450 259 L N 2.824 124.086 121.223 0.065 0.000 2.334 259 L HA 0.573 4.913 4.340 0.000 0.000 0.276 259 L C -0.035 176.886 176.870 0.085 0.000 1.014 259 L CA -0.972 53.942 54.840 0.123 0.000 0.815 259 L CB 2.141 44.279 42.059 0.131 0.000 1.268 259 L HN 0.784 nan 8.230 nan 0.000 0.428 260 T N -0.741 113.880 114.554 0.112 0.000 2.885 260 T HA 0.817 5.167 4.350 0.000 0.000 0.285 260 T C -0.467 174.283 174.700 0.084 0.000 1.019 260 T CA -0.799 61.329 62.100 0.047 0.000 1.010 260 T CB 2.177 71.044 68.868 -0.002 0.000 1.022 260 T HN 0.681 nan 8.240 nan 0.000 0.466 261 A N 1.985 124.817 122.820 0.020 0.000 2.331 261 A HA 0.612 4.932 4.320 0.000 0.000 0.320 261 A C 1.025 178.572 177.584 -0.062 0.000 1.138 261 A CA -1.027 51.009 52.037 -0.002 0.000 0.790 261 A CB 1.106 20.093 19.000 -0.022 0.000 1.206 261 A HN 0.936 nan 8.150 nan 0.000 0.470 262 R N 1.124 121.565 120.500 -0.099 0.000 2.127 262 R HA -0.038 4.302 4.340 0.000 0.000 0.217 262 R C 0.803 177.008 176.300 -0.158 0.000 1.074 262 R CA 1.267 57.299 56.100 -0.114 0.000 0.991 262 R CB 0.125 30.360 30.300 -0.107 0.000 0.895 262 R HN 0.762 nan 8.270 nan 0.000 0.450 263 N N -0.144 118.381 118.700 -0.292 0.000 2.530 263 N HA 0.084 4.824 4.740 0.000 0.000 0.216 263 N C -0.136 175.268 175.510 -0.177 0.000 1.031 263 N CA 0.707 53.562 53.050 -0.325 0.000 1.063 263 N CB 0.518 38.574 38.487 -0.719 0.000 1.346 263 N HN 0.047 nan 8.380 nan 0.000 0.515 264 E N -0.281 119.809 120.200 -0.183 0.000 2.413 264 E HA 0.478 4.828 4.350 0.000 0.000 0.277 264 E C -1.352 175.313 176.600 0.109 0.000 0.958 264 E CA -0.648 55.793 56.400 0.068 0.000 0.779 264 E CB 3.059 32.917 29.700 0.262 0.000 1.278 264 E HN -0.236 nan 8.360 nan 0.000 0.456 265 V N 1.592 121.550 119.914 0.073 0.000 2.513 265 V HA 0.338 4.458 4.120 0.000 0.000 0.299 265 V C -0.496 175.636 176.094 0.063 0.000 1.035 265 V CA -0.752 61.577 62.300 0.050 0.000 0.889 265 V CB 1.768 33.575 31.823 -0.027 0.000 0.988 265 V HN 0.397 nan 8.190 nan 0.000 0.440 266 V N 5.835 125.783 119.914 0.057 0.000 2.357 266 V HA 0.385 4.505 4.120 0.000 0.000 0.284 266 V C -0.348 175.752 176.094 0.011 0.000 1.018 266 V CA -0.577 61.745 62.300 0.036 0.000 0.841 266 V CB 1.547 33.387 31.823 0.028 0.000 0.991 266 V HN 0.631 nan 8.190 nan 0.000 0.437 267 L N 4.993 126.218 121.223 0.004 0.000 2.260 267 L HA 0.502 4.842 4.340 0.000 0.000 0.289 267 L C 0.658 177.518 176.870 -0.018 0.000 1.057 267 L CA 0.963 55.797 54.840 -0.010 0.000 0.811 267 L CB 1.435 43.488 42.059 -0.010 0.000 1.184 267 L HN 0.662 nan 8.230 nan 0.000 0.429 268 S N 1.178 116.867 115.700 -0.018 0.000 2.794 268 S HA 0.065 4.535 4.470 0.000 0.000 0.244 268 S C 0.937 175.526 174.600 -0.018 0.000 1.045 268 S CA 0.167 58.354 58.200 -0.021 0.000 1.114 268 S CB 0.182 63.371 63.200 -0.018 0.000 1.085 268 S HN 0.798 nan 8.310 nan 0.000 0.488 269 T N -0.328 114.208 114.554 -0.031 0.000 3.169 269 T HA 0.499 4.849 4.350 0.000 0.000 0.250 269 T C 1.120 175.782 174.700 -0.063 0.000 1.111 269 T CA 0.263 62.340 62.100 -0.038 0.000 1.010 269 T CB -0.091 68.742 68.868 -0.060 0.000 0.984 269 T HN 0.774 nan 8.240 nan 0.000 0.537 270 G N 0.558 109.323 108.800 -0.059 0.000 2.756 270 G HA2 0.154 4.114 3.960 0.000 0.000 0.678 270 G HA3 0.154 4.114 3.960 0.000 0.000 0.678 270 G C 0.709 175.548 174.900 -0.102 0.000 1.349 270 G CA -0.475 44.587 45.100 -0.064 0.000 0.847 270 G HN 0.815 nan 8.290 nan 0.000 0.548 271 A N -0.738 122.019 122.820 -0.105 0.000 2.121 271 A HA 0.290 4.610 4.320 0.000 0.000 0.218 271 A C 2.331 179.806 177.584 -0.181 0.000 1.154 271 A CA 2.092 54.042 52.037 -0.145 0.000 0.679 271 A CB -0.268 18.641 19.000 -0.151 0.000 0.795 271 A HN 0.830 nan 8.150 nan 0.000 0.458 272 I N -1.483 118.972 120.570 -0.192 0.000 2.729 272 I HA -0.039 4.131 4.170 0.000 0.000 0.256 272 I C 1.528 177.465 176.117 -0.300 0.000 1.115 272 I CA 0.701 61.832 61.300 -0.281 0.000 1.446 272 I CB -0.179 37.611 38.000 -0.351 0.000 1.176 272 I HN 0.142 nan 8.210 nan 0.000 0.446 273 D N 0.509 120.745 120.400 -0.273 0.000 2.234 273 D HA -0.075 4.565 4.640 0.000 0.000 0.205 273 D C 2.057 178.250 176.300 -0.177 0.000 0.962 273 D CA 1.144 54.981 54.000 -0.272 0.000 0.855 273 D CB 0.146 40.743 40.800 -0.338 0.000 0.951 273 D HN 0.233 nan 8.370 nan 0.000 0.500 274 T N 1.817 116.285 114.554 -0.144 0.000 2.622 274 T HA -0.101 4.249 4.350 0.000 0.000 0.266 274 T C -0.873 173.769 174.700 -0.097 0.000 1.047 274 T CA 1.439 63.477 62.100 -0.104 0.000 1.159 274 T CB -1.051 67.761 68.868 -0.093 0.000 0.863 274 T HN 0.218 nan 8.240 nan 0.000 0.422 275 P HA -0.104 nan 4.420 nan 0.000 0.217 275 P C 1.433 178.680 177.300 -0.089 0.000 1.150 275 P CA 1.339 64.378 63.100 -0.102 0.000 0.832 275 P CB -0.045 31.578 31.700 -0.129 0.000 0.787 276 K N -0.316 120.012 120.400 -0.119 0.000 2.044 276 K HA -0.176 4.144 4.320 0.000 0.000 0.210 276 K C 2.143 178.705 176.600 -0.063 0.000 1.049 276 K CA 1.262 57.486 56.287 -0.105 0.000 0.927 276 K CB -0.690 31.717 32.500 -0.155 0.000 0.713 276 K HN -0.046 nan 8.250 nan 0.000 0.443 277 L N 1.354 122.540 121.223 -0.062 0.000 2.093 277 L HA -0.069 4.271 4.340 0.000 0.000 0.208 277 L C 1.996 178.864 176.870 -0.003 0.000 1.085 277 L CA 1.317 56.140 54.840 -0.029 0.000 0.755 277 L CB -0.237 41.800 42.059 -0.035 0.000 0.904 277 L HN 0.243 nan 8.230 nan 0.000 0.435 278 L N -1.751 119.469 121.223 -0.006 0.000 2.056 278 L HA -0.229 4.111 4.340 0.000 0.000 0.207 278 L C 2.519 179.399 176.870 0.016 0.000 1.078 278 L CA 1.458 56.312 54.840 0.023 0.000 0.749 278 L CB -0.409 41.652 42.059 0.003 0.000 0.901 278 L HN 0.282 nan 8.230 nan 0.000 0.433 279 M N -0.666 118.931 119.600 -0.004 0.000 2.117 279 M HA -0.237 4.243 4.480 0.000 0.000 0.262 279 M C 2.280 178.574 176.300 -0.010 0.000 1.065 279 M CA 1.764 57.062 55.300 -0.004 0.000 1.114 279 M CB -0.387 32.218 32.600 0.008 0.000 1.361 279 M HN 0.237 nan 8.290 nan 0.000 0.408 280 L N -0.683 120.535 121.223 -0.009 0.000 2.265 280 L HA -0.154 4.186 4.340 0.000 0.000 0.215 280 L C 1.924 178.808 176.870 0.023 0.000 1.117 280 L CA 0.759 55.600 54.840 0.001 0.000 0.782 280 L CB -0.370 41.696 42.059 0.011 0.000 0.914 280 L HN 0.224 nan 8.230 nan 0.000 0.441 281 S N -0.694 115.036 115.700 0.050 0.000 2.575 281 S HA 0.228 4.698 4.470 0.000 0.000 0.215 281 S C 1.332 175.983 174.600 0.086 0.000 0.966 281 S CA 0.580 58.853 58.200 0.123 0.000 0.911 281 S CB 0.664 64.001 63.200 0.227 0.000 0.780 281 S HN 0.611 nan 8.310 nan 0.000 0.514 282 G N 1.607 110.415 108.800 0.013 0.000 2.141 282 G HA2 -0.210 3.750 3.960 0.000 0.000 0.231 282 G HA3 -0.210 3.750 3.960 0.000 0.000 0.231 282 G C -0.089 174.764 174.900 -0.080 0.000 0.984 282 G CA -0.375 44.700 45.100 -0.041 0.000 0.660 282 G HN 0.506 nan 8.290 nan 0.000 0.525 283 I N 1.072 121.609 120.570 -0.054 0.000 2.390 283 I HA 0.663 4.833 4.170 0.000 0.000 0.283 283 I C 0.734 176.831 176.117 -0.032 0.000 1.016 283 I CA 0.097 61.358 61.300 -0.065 0.000 1.151 283 I CB 1.245 39.207 38.000 -0.064 0.000 1.293 283 I HN 0.463 nan 8.210 nan 0.000 0.458 284 G N 6.391 115.173 108.800 -0.030 0.000 2.317 284 G HA2 0.256 4.216 3.960 0.000 0.000 0.293 284 G HA3 0.256 4.216 3.960 0.000 0.000 0.293 284 G C -3.370 171.529 174.900 -0.001 0.000 1.287 284 G CA -0.812 44.283 45.100 -0.009 0.000 0.850 284 G HN 0.155 nan 8.290 nan 0.000 0.515 285 P HA 0.358 nan 4.420 nan 0.000 0.265 285 P C 0.917 178.242 177.300 0.041 0.000 1.222 285 P CA 0.711 63.822 63.100 0.018 0.000 0.767 285 P CB 1.193 32.900 31.700 0.012 0.000 0.801 286 A N 5.273 128.099 122.820 0.011 0.000 1.892 286 A HA -0.242 4.078 4.320 0.000 0.000 0.218 286 A C 2.145 179.736 177.584 0.012 0.000 1.188 286 A CA 2.360 54.398 52.037 0.002 0.000 0.631 286 A CB -1.530 17.463 19.000 -0.012 0.000 0.822 286 A HN 0.503 nan 8.150 nan 0.000 0.447 287 A N -1.610 121.224 122.820 0.022 0.000 1.902 287 A HA -0.209 4.111 4.320 0.000 0.000 0.217 287 A C 2.132 179.750 177.584 0.056 0.000 1.181 287 A CA 1.735 53.785 52.037 0.022 0.000 0.623 287 A CB -0.950 18.060 19.000 0.017 0.000 0.818 287 A HN 0.802 nan 8.150 nan 0.000 0.443 288 H N -0.047 119.017 119.070 -0.010 0.000 2.357 288 H HA -0.041 4.515 4.556 0.000 0.000 0.301 288 H C 1.898 177.275 175.328 0.082 0.000 1.082 288 H CA 1.587 57.652 56.048 0.030 0.000 1.342 288 H CB -0.070 29.710 29.762 0.031 0.000 1.389 288 H HN 0.413 nan 8.280 nan 0.000 0.511 289 L N 0.306 121.517 121.223 -0.020 0.000 2.046 289 L HA -0.141 4.199 4.340 0.000 0.000 0.208 289 L C 3.098 179.935 176.870 -0.055 0.000 1.077 289 L CA 1.016 55.818 54.840 -0.064 0.000 0.747 289 L CB -0.792 41.250 42.059 -0.027 0.000 0.896 289 L HN 0.299 nan 8.230 nan 0.000 0.432 290 A N 0.333 123.125 122.820 -0.047 0.000 1.933 290 A HA -0.259 4.061 4.320 0.000 0.000 0.218 290 A C 2.182 179.708 177.584 -0.096 0.000 1.175 290 A CA 1.853 53.857 52.037 -0.054 0.000 0.628 290 A CB -0.501 18.475 19.000 -0.040 0.000 0.814 290 A HN 0.420 nan 8.150 nan 0.000 0.444 291 E N -0.044 120.065 120.200 -0.152 0.000 2.171 291 E HA -0.213 4.137 4.350 0.000 0.000 0.197 291 E C 1.267 177.603 176.600 -0.439 0.000 0.997 291 E CA 1.577 57.803 56.400 -0.290 0.000 0.810 291 E CB -0.306 29.188 29.700 -0.344 0.000 0.738 291 E HN 0.733 nan 8.360 nan 0.000 0.467 292 H N -1.613 117.380 119.070 -0.129 0.000 2.505 292 H HA 0.305 4.861 4.556 0.000 0.000 0.289 292 H C 0.904 176.186 175.328 -0.076 0.000 1.052 292 H CA 0.504 56.482 56.048 -0.116 0.000 1.156 292 H CB 0.628 30.280 29.762 -0.184 0.000 1.507 292 H HN 0.314 nan 8.280 nan 0.000 0.548 293 G N 1.635 110.429 108.800 -0.011 0.000 2.160 293 G HA2 -0.281 3.679 3.960 0.000 0.000 0.251 293 G HA3 -0.281 3.679 3.960 0.000 0.000 0.251 293 G C 0.126 175.026 174.900 0.001 0.000 1.008 293 G CA 0.094 45.190 45.100 -0.006 0.000 0.724 293 G HN 0.344 nan 8.290 nan 0.000 0.514 294 I N 0.626 121.195 120.570 -0.002 0.000 2.353 294 I HA 0.298 4.468 4.170 0.000 0.000 0.293 294 I C 0.776 176.884 176.117 -0.015 0.000 0.992 294 I CA -0.724 60.573 61.300 -0.005 0.000 1.268 294 I CB 1.506 39.501 38.000 -0.009 0.000 1.387 294 I HN 0.270 nan 8.210 nan 0.000 0.478 295 E N 5.820 126.012 120.200 -0.014 0.000 2.417 295 E HA 0.097 4.447 4.350 0.000 0.000 0.261 295 E C -1.006 175.574 176.600 -0.033 0.000 1.000 295 E CA -0.401 55.986 56.400 -0.021 0.000 0.919 295 E CB 0.806 30.496 29.700 -0.017 0.000 0.955 295 E HN 0.358 nan 8.360 nan 0.000 0.455 296 V N 7.121 127.011 119.914 -0.039 0.000 2.427 296 V HA -0.024 4.096 4.120 0.000 0.000 0.268 296 V C 0.964 177.014 176.094 -0.074 0.000 1.046 296 V CA 0.006 62.275 62.300 -0.051 0.000 0.970 296 V CB 0.873 32.671 31.823 -0.042 0.000 1.001 296 V HN 0.778 nan 8.190 nan 0.000 0.476 297 L N 6.613 127.769 121.223 -0.111 0.000 2.168 297 L HA 0.301 4.642 4.340 0.000 0.000 0.203 297 L C 0.529 177.303 176.870 -0.159 0.000 1.078 297 L CA 1.527 56.268 54.840 -0.164 0.000 0.780 297 L CB 0.620 42.504 42.059 -0.291 0.000 0.939 297 L HN 0.446 nan 8.230 nan 0.000 0.451 298 V N 0.536 120.363 119.914 -0.145 0.000 2.569 298 V HA 0.278 4.398 4.120 0.000 0.000 0.301 298 V C -1.248 174.801 176.094 -0.075 0.000 1.044 298 V CA -0.999 61.235 62.300 -0.111 0.000 0.874 298 V CB 1.483 33.230 31.823 -0.126 0.000 1.002 298 V HN 0.040 nan 8.190 nan 0.000 0.424 299 D N 3.132 123.499 120.400 -0.055 0.000 2.359 299 D HA 0.165 4.805 4.640 0.000 0.000 0.250 299 D C -0.003 176.275 176.300 -0.037 0.000 1.264 299 D CA 0.658 54.634 54.000 -0.039 0.000 0.911 299 D CB 1.024 41.806 40.800 -0.031 0.000 1.056 299 D HN 0.494 nan 8.370 nan 0.000 0.499 300 S N 5.070 120.749 115.700 -0.035 0.000 2.406 300 S HA 0.334 4.804 4.470 0.000 0.000 0.224 300 S C -1.826 172.755 174.600 -0.033 0.000 1.426 300 S CA -1.356 56.824 58.200 -0.034 0.000 1.179 300 S CB 1.099 64.276 63.200 -0.039 0.000 1.042 300 S HN 0.330 nan 8.310 nan 0.000 0.479 301 P HA 0.057 nan 4.420 nan 0.000 0.226 301 P C 1.326 178.584 177.300 -0.070 0.000 1.153 301 P CA 0.607 63.681 63.100 -0.043 0.000 0.777 301 P CB -0.130 31.551 31.700 -0.032 0.000 0.794 302 G N 0.079 108.855 108.800 -0.040 0.000 2.744 302 G HA2 0.012 3.972 3.960 0.000 0.000 0.211 302 G HA3 0.012 3.972 3.960 0.000 0.000 0.211 302 G C 0.483 175.322 174.900 -0.103 0.000 1.143 302 G CA -0.047 45.028 45.100 -0.041 0.000 0.788 302 G HN 0.162 nan 8.290 nan 0.000 0.534 303 V N 1.219 121.080 119.914 -0.088 0.000 2.446 303 V HA 0.464 4.584 4.120 0.000 0.000 0.276 303 V C 1.553 177.571 176.094 -0.127 0.000 1.030 303 V CA 1.076 63.323 62.300 -0.090 0.000 1.033 303 V CB 0.198 31.986 31.823 -0.057 0.000 0.993 303 V HN 0.646 nan 8.190 nan 0.000 0.477 304 G N 3.643 112.353 108.800 -0.150 0.000 2.176 304 G HA2 -0.182 3.778 3.960 0.000 0.000 0.253 304 G HA3 -0.182 3.778 3.960 0.000 0.000 0.253 304 G C 0.158 174.912 174.900 -0.243 0.000 0.979 304 G CA 0.029 45.020 45.100 -0.183 0.000 0.641 304 G HN 0.592 nan 8.290 nan 0.000 0.530 305 E N -0.313 119.695 120.200 -0.319 0.000 2.280 305 E HA 0.516 4.867 4.350 0.000 0.000 0.261 305 E C 0.887 177.196 176.600 -0.485 0.000 1.088 305 E CA -0.234 55.853 56.400 -0.522 0.000 0.915 305 E CB 0.189 29.385 29.700 -0.840 0.000 1.141 305 E HN 0.625 nan 8.360 nan 0.000 0.433 306 H N -1.708 117.273 119.070 -0.150 0.000 2.936 306 H HA -0.195 4.361 4.556 0.000 0.000 0.276 306 H C 0.050 175.265 175.328 -0.189 0.000 1.216 306 H CA 0.026 55.976 56.048 -0.163 0.000 1.132 306 H CB -1.879 27.777 29.762 -0.177 0.000 1.303 306 H HN 0.133 nan 8.280 nan 0.000 0.370 307 L N 1.948 123.091 121.223 -0.133 0.000 2.534 307 L HA 0.150 4.490 4.340 0.000 0.000 0.271 307 L C 0.281 177.057 176.870 -0.156 0.000 1.178 307 L CA 0.824 55.562 54.840 -0.170 0.000 0.907 307 L CB 0.577 42.514 42.059 -0.205 0.000 1.164 307 L HN 0.293 nan 8.230 nan 0.000 0.482 308 Q N 3.497 123.201 119.800 -0.160 0.000 2.387 308 Q HA 0.585 4.925 4.340 0.000 0.000 0.273 308 Q C -1.305 174.676 176.000 -0.032 0.000 1.089 308 Q CA -0.811 54.932 55.803 -0.100 0.000 0.824 308 Q CB 2.334 31.003 28.738 -0.114 0.000 1.367 308 Q HN 0.722 nan 8.270 nan 0.000 0.443 309 D N -0.929 119.535 120.400 0.106 0.000 2.643 309 D HA 0.263 4.903 4.640 0.000 0.000 0.283 309 D C -1.630 174.734 176.300 0.106 0.000 1.242 309 D CA -0.542 53.580 54.000 0.203 0.000 0.863 309 D CB 1.357 42.331 40.800 0.291 0.000 1.382 309 D HN 0.518 nan 8.370 nan 0.000 0.444 310 H N 0.565 119.730 119.070 0.159 0.000 2.690 310 H HA 0.374 4.930 4.556 0.000 0.000 0.280 310 H C -1.837 173.469 175.328 -0.037 0.000 1.138 310 H CA -1.701 54.344 56.048 -0.005 0.000 1.241 310 H CB 1.273 31.002 29.762 -0.055 0.000 1.394 310 H HN 0.045 nan 8.280 nan 0.000 0.489 311 P HA 0.015 nan 4.420 nan 0.000 0.272 311 P C -0.358 176.920 177.300 -0.036 0.000 1.223 311 P CA -0.132 62.878 63.100 -0.149 0.000 0.784 311 P CB 1.695 33.126 31.700 -0.448 0.000 0.923 312 E N 0.731 120.916 120.200 -0.024 0.000 2.292 312 E HA 0.557 4.908 4.350 0.000 0.000 0.272 312 E C -0.648 176.014 176.600 0.104 0.000 0.881 312 E CA -0.905 55.510 56.400 0.024 0.000 0.754 312 E CB 1.586 31.236 29.700 -0.084 0.000 1.201 312 E HN 0.561 nan 8.360 nan 0.000 0.425 313 G N 1.286 110.161 108.800 0.124 0.000 2.521 313 G HA2 0.583 4.543 3.960 0.000 0.000 0.323 313 G HA3 0.583 4.543 3.960 0.000 0.000 0.323 313 G C -1.217 173.772 174.900 0.149 0.000 1.211 313 G CA -0.488 44.684 45.100 0.119 0.000 0.979 313 G HN 0.372 nan 8.290 nan 0.000 0.490 314 V N -0.428 119.585 119.914 0.164 0.000 2.760 314 V HA 0.642 4.762 4.120 0.000 0.000 0.309 314 V C -1.102 175.106 176.094 0.190 0.000 1.077 314 V CA -0.589 61.841 62.300 0.217 0.000 0.910 314 V CB 2.112 34.091 31.823 0.260 0.000 1.008 314 V HN 0.569 nan 8.190 nan 0.000 0.424 315 V N 6.707 126.700 119.914 0.133 0.000 2.444 315 V HA 0.549 4.669 4.120 0.000 0.000 0.294 315 V C -0.327 175.674 176.094 -0.155 0.000 1.022 315 V CA -0.511 61.753 62.300 -0.061 0.000 0.850 315 V CB 1.475 33.285 31.823 -0.021 0.000 0.992 315 V HN 0.943 nan 8.190 nan 0.000 0.426 316 Q N 3.697 123.283 119.800 -0.357 0.000 2.312 316 Q HA 0.695 5.035 4.340 0.000 0.000 0.263 316 Q C -1.608 173.990 176.000 -0.670 0.000 0.995 316 Q CA -0.361 55.248 55.803 -0.323 0.000 0.853 316 Q CB 2.700 31.348 28.738 -0.149 0.000 1.300 316 Q HN 0.668 nan 8.270 nan 0.000 0.448 317 F N 0.676 120.376 119.950 -0.416 0.000 2.540 317 F HA 0.279 4.806 4.527 0.000 0.000 0.317 317 F C 0.367 175.926 175.800 -0.403 0.000 1.104 317 F CA -0.951 56.755 58.000 -0.491 0.000 0.913 317 F CB 1.690 40.145 39.000 -0.907 0.000 1.170 317 F HN 0.354 nan 8.300 nan 0.000 0.450 318 E N 1.674 121.879 120.200 0.009 0.000 2.413 318 E HA 0.381 4.731 4.350 0.000 0.000 0.263 318 E C -0.455 176.235 176.600 0.150 0.000 1.015 318 E CA -0.252 56.185 56.400 0.062 0.000 0.916 318 E CB 0.963 30.709 29.700 0.077 0.000 0.947 318 E HN 0.600 nan 8.360 nan 0.000 0.440 319 A N 2.696 125.666 122.820 0.249 0.000 2.301 319 A HA 0.187 4.507 4.320 0.000 0.000 0.312 319 A C 0.513 178.278 177.584 0.301 0.000 1.182 319 A CA -0.558 51.753 52.037 0.455 0.000 0.826 319 A CB 0.709 20.069 19.000 0.601 0.000 1.134 319 A HN 0.616 nan 8.150 nan 0.000 0.501 320 K N 0.461 121.013 120.400 0.254 0.000 2.418 320 K HA 0.028 4.348 4.320 0.000 0.000 0.195 320 K C 0.182 176.771 176.600 -0.017 0.000 1.035 320 K CA 0.815 57.144 56.287 0.070 0.000 1.003 320 K CB 0.181 32.675 32.500 -0.010 0.000 0.793 320 K HN 0.780 nan 8.250 nan 0.000 0.494 321 Q N -0.145 119.658 119.800 0.005 0.000 2.484 321 Q HA 0.315 4.655 4.340 0.000 0.000 0.285 321 Q C -2.786 173.351 176.000 0.229 0.000 1.097 321 Q CA -2.568 53.212 55.803 -0.039 0.000 0.802 321 Q CB 1.712 30.185 28.738 -0.442 0.000 1.444 321 Q HN -0.191 nan 8.270 nan 0.000 0.429 322 P HA -0.039 nan 4.420 nan 0.000 0.262 322 P C -0.743 176.757 177.300 0.333 0.000 1.199 322 P CA 0.531 63.764 63.100 0.221 0.000 0.763 322 P CB 0.354 32.145 31.700 0.153 0.000 0.790 323 M N 2.888 122.664 119.600 0.293 0.000 2.226 323 M HA 0.085 4.565 4.480 0.000 0.000 0.324 323 M C 0.606 177.021 176.300 0.191 0.000 1.112 323 M CA -0.538 54.911 55.300 0.248 0.000 1.176 323 M CB 0.236 32.966 32.600 0.218 0.000 1.430 323 M HN 0.129 nan 8.290 nan 0.000 0.462 324 V N 0.477 120.483 119.914 0.153 0.000 2.901 324 V HA 0.279 4.399 4.120 0.000 0.000 0.307 324 V C 0.804 177.030 176.094 0.220 0.000 1.084 324 V CA 0.129 62.518 62.300 0.149 0.000 1.184 324 V CB -0.303 31.578 31.823 0.096 0.000 0.941 324 V HN 0.960 nan 8.190 nan 0.000 0.493 325 A N 1.884 124.828 122.820 0.206 0.000 2.469 325 A HA 0.419 4.739 4.320 0.000 0.000 0.245 325 A C 0.588 178.376 177.584 0.341 0.000 1.221 325 A CA -0.211 51.985 52.037 0.266 0.000 0.946 325 A CB -0.003 19.095 19.000 0.164 0.000 1.049 325 A HN 0.876 nan 8.150 nan 0.000 0.529 326 E N -0.536 119.775 120.200 0.185 0.000 2.312 326 E HA 0.686 5.036 4.350 0.000 0.000 0.267 326 E C -1.187 175.201 176.600 -0.352 0.000 0.894 326 E CA -0.354 56.055 56.400 0.014 0.000 0.773 326 E CB 1.906 31.606 29.700 0.000 0.000 1.241 326 E HN 0.061 nan 8.360 nan 0.000 0.432 327 S N -0.768 114.518 115.700 -0.689 0.000 2.611 327 S HA 0.277 4.747 4.470 0.000 0.000 0.268 327 S C 0.700 174.963 174.600 -0.561 0.000 1.156 327 S CA 0.157 57.871 58.200 -0.809 0.000 0.817 327 S CB 1.036 63.280 63.200 -1.593 0.000 1.122 327 S HN 0.577 nan 8.310 nan 0.000 0.466 328 T N 0.467 114.815 114.554 -0.342 0.000 2.770 328 T HA 0.004 4.354 4.350 0.000 0.000 0.263 328 T C 0.844 175.450 174.700 -0.156 0.000 1.039 328 T CA 1.770 63.768 62.100 -0.171 0.000 1.142 328 T CB -0.355 68.484 68.868 -0.048 0.000 0.868 328 T HN 0.741 nan 8.240 nan 0.000 0.435 329 Q N -1.889 117.797 119.800 -0.190 0.000 1.820 329 Q HA 0.308 4.648 4.340 0.000 0.000 0.179 329 Q C 0.093 176.341 176.000 0.413 0.000 0.798 329 Q CA -0.667 55.232 55.803 0.160 0.000 0.887 329 Q CB -1.278 27.648 28.738 0.313 0.000 1.240 329 Q HN 0.592 nan 8.270 nan 0.000 0.394 330 W N -1.916 119.538 121.300 0.256 0.000 1.839 330 W HA -0.233 4.427 4.660 0.000 0.000 0.248 330 W C -0.660 175.658 176.519 -0.334 0.000 0.999 330 W CA 0.772 58.105 57.345 -0.019 0.000 0.444 330 W CB -1.811 27.628 29.460 -0.036 0.000 2.008 330 W HN 0.418 nan 8.180 nan 0.000 1.324 331 W N 1.081 122.570 121.300 0.315 0.000 1.809 331 W HA 0.478 5.138 4.660 0.000 0.000 0.298 331 W C 0.930 177.713 176.519 0.440 0.000 0.905 331 W CA -0.558 56.971 57.345 0.306 0.000 1.872 331 W CB -0.194 29.461 29.460 0.325 0.000 2.092 331 W HN -0.135 nan 8.180 nan 0.000 0.403 332 E N 0.664 121.110 120.200 0.410 0.000 2.447 332 E HA 0.178 4.528 4.350 0.000 0.000 0.195 332 E C 0.392 177.067 176.600 0.124 0.000 1.028 332 E CA 0.475 57.132 56.400 0.429 0.000 0.876 332 E CB 0.959 30.882 29.700 0.372 0.000 0.885 332 E HN 0.282 nan 8.360 nan 0.000 0.500 333 I N 0.348 120.863 120.570 -0.092 0.000 2.569 333 I HA 0.363 4.533 4.170 0.000 0.000 0.296 333 I C 0.003 175.692 176.117 -0.713 0.000 1.028 333 I CA -0.832 60.106 61.300 -0.603 0.000 1.082 333 I CB 2.212 39.914 38.000 -0.497 0.000 1.264 333 I HN -0.145 nan 8.210 nan 0.000 0.429 334 G N 6.208 114.392 108.800 -1.028 0.000 2.495 334 G HA2 0.805 4.765 3.960 0.000 0.000 0.318 334 G HA3 0.805 4.765 3.960 0.000 0.000 0.318 334 G C -1.114 173.616 174.900 -0.284 0.000 1.257 334 G CA -0.417 44.362 45.100 -0.534 0.000 0.962 334 G HN 0.447 nan 8.290 nan 0.000 0.483 335 I N 0.927 121.266 120.570 -0.384 0.000 2.466 335 I HA 0.417 4.587 4.170 0.000 0.000 0.289 335 I C -1.128 174.764 176.117 -0.376 0.000 1.026 335 I CA -0.549 60.615 61.300 -0.227 0.000 1.078 335 I CB 2.068 39.996 38.000 -0.120 0.000 1.249 335 I HN 0.278 nan 8.210 nan 0.000 0.429 336 F N 3.410 123.402 119.950 0.070 0.000 2.495 336 F HA 0.666 5.193 4.527 0.000 0.000 0.327 336 F C 0.363 176.190 175.800 0.045 0.000 1.103 336 F CA -0.620 57.404 58.000 0.041 0.000 0.949 336 F CB 2.299 41.330 39.000 0.051 0.000 1.142 336 F HN 0.263 nan 8.300 nan 0.000 0.457 337 T N 4.099 118.786 114.554 0.221 0.000 2.932 337 T HA 0.444 4.794 4.350 0.000 0.000 0.318 337 T C -3.121 171.653 174.700 0.124 0.000 1.265 337 T CA -1.801 60.386 62.100 0.145 0.000 1.036 337 T CB 1.981 70.906 68.868 0.095 0.000 1.209 337 T HN 0.250 nan 8.240 nan 0.000 0.484 338 P HA 0.267 nan 4.420 nan 0.000 0.290 338 P C 0.653 177.994 177.300 0.069 0.000 1.276 338 P CA -0.292 62.859 63.100 0.085 0.000 0.808 338 P CB 1.141 32.883 31.700 0.069 0.000 0.966 339 T N -1.633 112.961 114.554 0.066 0.000 3.100 339 T HA 0.253 4.603 4.350 0.000 0.000 0.253 339 T C 0.540 175.266 174.700 0.043 0.000 1.118 339 T CA 0.572 62.701 62.100 0.049 0.000 1.058 339 T CB -0.403 68.486 68.868 0.035 0.000 0.953 339 T HN 0.565 nan 8.240 nan 0.000 0.515 340 E N 0.730 120.960 120.200 0.050 0.000 2.393 340 E HA 0.544 4.894 4.350 0.000 0.000 0.273 340 E C -1.379 175.247 176.600 0.042 0.000 0.918 340 E CA -0.993 55.435 56.400 0.045 0.000 0.773 340 E CB 0.685 30.416 29.700 0.052 0.000 1.275 340 E HN 0.388 nan 8.360 nan 0.000 0.451 341 D N -0.292 120.129 120.400 0.035 0.000 2.360 341 D HA 0.468 5.108 4.640 0.000 0.000 0.242 341 D C 1.231 177.548 176.300 0.029 0.000 1.184 341 D CA 1.429 55.447 54.000 0.030 0.000 0.930 341 D CB 1.371 42.185 40.800 0.024 0.000 1.161 341 D HN 1.330 nan 8.370 nan 0.000 0.447 342 G N -0.043 108.772 108.800 0.024 0.000 2.157 342 G HA2 -0.235 3.725 3.960 0.000 0.000 0.248 342 G HA3 -0.235 3.725 3.960 0.000 0.000 0.248 342 G C 0.152 175.063 174.900 0.019 0.000 0.979 342 G CA -0.166 44.946 45.100 0.019 0.000 0.650 342 G HN 0.384 nan 8.290 nan 0.000 0.529 343 L N 1.069 122.307 121.223 0.025 0.000 2.350 343 L HA 0.472 4.812 4.340 0.000 0.000 0.275 343 L C 1.201 178.080 176.870 0.015 0.000 1.099 343 L CA -0.171 54.684 54.840 0.025 0.000 0.808 343 L CB 1.081 43.166 42.059 0.043 0.000 1.149 343 L HN 0.279 nan 8.230 nan 0.000 0.442 344 D N 0.444 120.846 120.400 0.004 0.000 2.369 344 D HA 0.059 4.699 4.640 0.000 0.000 0.211 344 D C 0.383 176.681 176.300 -0.003 0.000 1.077 344 D CA 0.035 54.034 54.000 -0.002 0.000 0.842 344 D CB 0.417 41.211 40.800 -0.009 0.000 0.947 344 D HN 0.313 nan 8.370 nan 0.000 0.509 345 R N 0.396 120.900 120.500 0.006 0.000 2.673 345 R HA 0.469 4.809 4.340 0.000 0.000 0.281 345 R C -2.724 173.607 176.300 0.053 0.000 0.991 345 R CA -1.948 54.161 56.100 0.015 0.000 0.896 345 R CB 2.396 32.721 30.300 0.041 0.000 1.201 345 R HN -0.034 nan 8.270 nan 0.000 0.457 346 P HA 0.014 nan 4.420 nan 0.000 0.271 346 P C -0.592 176.817 177.300 0.181 0.000 1.216 346 P CA -0.050 63.124 63.100 0.123 0.000 0.771 346 P CB 0.857 32.667 31.700 0.183 0.000 0.864 347 D N 1.921 122.427 120.400 0.177 0.000 2.349 347 D HA 0.047 4.687 4.640 0.000 0.000 0.215 347 D C 0.321 176.731 176.300 0.183 0.000 1.016 347 D CA 0.283 54.415 54.000 0.219 0.000 0.870 347 D CB -0.131 40.797 40.800 0.214 0.000 0.917 347 D HN 0.200 nan 8.370 nan 0.000 0.524 348 L N 0.090 121.406 121.223 0.154 0.000 2.408 348 L HA 0.567 4.907 4.340 0.000 0.000 0.268 348 L C -1.354 175.583 176.870 0.112 0.000 0.986 348 L CA -0.732 54.177 54.840 0.114 0.000 0.820 348 L CB 2.368 44.480 42.059 0.088 0.000 1.303 348 L HN -0.017 nan 8.230 nan 0.000 0.411 349 M N 4.966 124.581 119.600 0.025 0.000 2.572 349 M HA 0.681 5.161 4.480 0.000 0.000 0.299 349 M C -1.844 174.392 176.300 -0.108 0.000 1.205 349 M CA -0.546 54.666 55.300 -0.145 0.000 0.876 349 M CB 2.311 34.752 32.600 -0.265 0.000 1.728 349 M HN 0.760 nan 8.290 nan 0.000 0.458 350 M N 1.878 121.372 119.600 -0.177 0.000 2.446 350 M HA 0.411 4.891 4.480 0.000 0.000 0.294 350 M C -1.657 174.619 176.300 -0.040 0.000 1.158 350 M CA -0.627 54.671 55.300 -0.003 0.000 0.899 350 M CB 2.550 35.183 32.600 0.055 0.000 1.687 350 M HN 0.704 nan 8.290 nan 0.000 0.455 351 H N 0.136 119.310 119.070 0.174 0.000 2.502 351 H HA 0.444 5.000 4.556 0.000 0.000 0.338 351 H C -1.585 173.987 175.328 0.407 0.000 1.155 351 H CA -0.172 56.078 56.048 0.337 0.000 1.237 351 H CB 1.150 31.184 29.762 0.453 0.000 1.534 351 H HN 0.532 nan 8.280 nan 0.000 0.523 352 Y N 0.780 121.280 120.300 0.334 0.000 2.335 352 Y HA 0.566 5.116 4.550 0.000 0.000 0.338 352 Y C -0.306 175.633 175.900 0.065 0.000 0.977 352 Y CA -1.006 57.194 58.100 0.167 0.000 1.114 352 Y CB 1.045 39.470 38.460 -0.058 0.000 1.182 352 Y HN 0.726 nan 8.280 nan 0.000 0.463 353 G N 2.475 110.765 108.800 -0.851 0.000 2.470 353 G HA2 0.362 4.322 3.960 0.000 0.000 0.320 353 G HA3 0.362 4.322 3.960 0.000 0.000 0.320 353 G C -0.247 173.898 174.900 -1.258 0.000 1.245 353 G CA -0.545 43.537 45.100 -1.696 0.000 0.935 353 G HN 0.875 nan 8.290 nan 0.000 0.476 354 S N 0.148 115.256 115.700 -0.988 0.000 2.743 354 S HA 0.267 4.737 4.470 0.000 0.000 0.230 354 S C 0.622 175.135 174.600 -0.145 0.000 0.950 354 S CA 0.219 58.156 58.200 -0.438 0.000 0.976 354 S CB -0.764 62.328 63.200 -0.179 0.000 0.779 354 S HN 1.312 nan 8.310 nan 0.000 0.487 355 V N -3.528 116.228 119.914 -0.264 0.000 3.040 355 V HA 0.772 4.892 4.120 0.000 0.000 0.312 355 V C -3.419 172.654 176.094 -0.035 0.000 1.115 355 V CA -3.133 59.094 62.300 -0.121 0.000 0.998 355 V CB 1.529 33.257 31.823 -0.159 0.000 1.042 355 V HN -0.054 nan 8.190 nan 0.000 0.433 356 P HA 0.297 nan 4.420 nan 0.000 0.281 356 P C -1.057 176.356 177.300 0.189 0.000 1.286 356 P CA 0.169 63.316 63.100 0.078 0.000 0.772 356 P CB 0.073 31.790 31.700 0.029 0.000 0.862 357 F N 4.993 125.006 119.950 0.104 0.000 2.451 357 F HA 0.166 4.693 4.527 0.000 0.000 0.356 357 F C 0.472 176.321 175.800 0.082 0.000 1.178 357 F CA -0.996 57.109 58.000 0.175 0.000 1.210 357 F CB -0.001 39.237 39.000 0.396 0.000 1.504 357 F HN 0.209 nan 8.300 nan 0.000 0.598 358 D N 3.019 123.304 120.400 -0.191 0.000 2.358 358 D HA -0.052 4.588 4.640 0.000 0.000 0.224 358 D C 1.960 178.061 176.300 -0.330 0.000 1.123 358 D CA 0.107 53.982 54.000 -0.208 0.000 0.833 358 D CB -0.412 40.330 40.800 -0.096 0.000 0.946 358 D HN 0.582 nan 8.370 nan 0.000 0.505 359 M N 0.377 119.600 119.600 -0.629 0.000 2.144 359 M HA -0.178 4.302 4.480 0.000 0.000 0.260 359 M C 0.367 176.469 176.300 -0.330 0.000 1.067 359 M CA 1.521 56.514 55.300 -0.511 0.000 1.095 359 M CB 0.096 32.255 32.600 -0.734 0.000 1.365 359 M HN -0.026 nan 8.290 nan 0.000 0.406 360 N N -1.264 117.245 118.700 -0.318 0.000 2.184 360 N HA 0.075 4.815 4.740 0.000 0.000 0.206 360 N C 1.143 176.605 175.510 -0.080 0.000 1.151 360 N CA 1.029 53.963 53.050 -0.192 0.000 0.878 360 N CB 0.602 38.976 38.487 -0.188 0.000 1.014 360 N HN 0.525 nan 8.380 nan 0.000 0.512 361 T N -1.952 112.556 114.554 -0.076 0.000 3.034 361 T HA 0.073 4.423 4.350 0.000 0.000 0.248 361 T C 1.832 176.621 174.700 0.148 0.000 1.040 361 T CA -0.051 62.105 62.100 0.093 0.000 1.107 361 T CB -0.099 68.767 68.868 -0.003 0.000 0.932 361 T HN -0.064 nan 8.240 nan 0.000 0.474 362 L N 2.941 124.157 121.223 -0.012 0.000 2.042 362 L HA 0.058 4.398 4.340 0.000 0.000 0.210 362 L C 2.684 179.492 176.870 -0.105 0.000 1.076 362 L CA 2.016 56.830 54.840 -0.043 0.000 0.749 362 L CB -0.748 41.258 42.059 -0.088 0.000 0.893 362 L HN 0.458 nan 8.230 nan 0.000 0.432 363 R N -2.007 118.357 120.500 -0.227 0.000 2.237 363 R HA -0.140 4.200 4.340 0.000 0.000 0.219 363 R C 0.983 177.007 176.300 -0.461 0.000 1.080 363 R CA 1.767 57.622 56.100 -0.408 0.000 0.995 363 R CB -0.819 29.077 30.300 -0.674 0.000 0.875 363 R HN 0.508 nan 8.270 nan 0.000 0.462 364 H N -0.635 118.389 119.070 -0.077 0.000 2.520 364 H HA 0.281 4.837 4.556 0.000 0.000 0.284 364 H C 0.664 175.897 175.328 -0.158 0.000 1.037 364 H CA 0.342 56.358 56.048 -0.054 0.000 1.168 364 H CB 1.377 31.197 29.762 0.097 0.000 1.497 364 H HN 0.535 nan 8.280 nan 0.000 0.547 365 G N -0.002 108.765 108.800 -0.056 0.000 2.141 365 G HA2 -0.313 3.647 3.960 0.000 0.000 0.242 365 G HA3 -0.313 3.647 3.960 0.000 0.000 0.242 365 G C -0.379 174.419 174.900 -0.170 0.000 0.982 365 G CA -0.396 44.626 45.100 -0.130 0.000 0.662 365 G HN 0.343 nan 8.290 nan 0.000 0.527 366 Y N 1.584 121.890 120.300 0.010 0.000 2.346 366 Y HA 0.428 4.978 4.550 0.000 0.000 0.330 366 Y C -1.061 174.825 175.900 -0.022 0.000 1.178 366 Y CA -1.479 56.623 58.100 0.003 0.000 1.331 366 Y CB 0.503 38.983 38.460 0.033 0.000 1.253 366 Y HN 0.044 nan 8.280 nan 0.000 0.529 367 P HA 0.036 nan 4.420 nan 0.000 0.269 367 P C -0.445 176.878 177.300 0.037 0.000 1.209 367 P CA -0.222 62.905 63.100 0.045 0.000 0.776 367 P CB 0.745 32.461 31.700 0.028 0.000 0.876 368 T N -1.395 113.167 114.554 0.013 0.000 2.952 368 T HA 0.677 5.027 4.350 0.000 0.000 0.286 368 T C -0.243 174.458 174.700 0.002 0.000 1.024 368 T CA -0.665 61.437 62.100 0.002 0.000 1.029 368 T CB 1.683 70.545 68.868 -0.010 0.000 1.094 368 T HN 0.525 nan 8.240 nan 0.000 0.515 369 T N -0.832 113.723 114.554 0.001 0.000 2.843 369 T HA 0.396 4.746 4.350 0.000 0.000 0.302 369 T C -0.436 174.269 174.700 0.008 0.000 1.232 369 T CA -0.604 61.502 62.100 0.009 0.000 1.009 369 T CB 2.029 70.909 68.868 0.020 0.000 1.254 369 T HN 0.742 nan 8.240 nan 0.000 0.504 370 E N 1.073 121.281 120.200 0.014 0.000 2.481 370 E HA 0.205 4.555 4.350 0.000 0.000 0.198 370 E C -0.388 176.233 176.600 0.035 0.000 1.027 370 E CA -0.046 56.361 56.400 0.011 0.000 0.900 370 E CB 0.362 30.064 29.700 0.005 0.000 0.993 370 E HN 0.411 nan 8.360 nan 0.000 0.482 371 N N 0.205 118.941 118.700 0.059 0.000 2.640 371 N HA 0.330 5.070 4.740 0.000 0.000 0.262 371 N C -1.029 174.564 175.510 0.137 0.000 1.174 371 N CA -0.222 52.892 53.050 0.106 0.000 0.791 371 N CB 1.333 39.889 38.487 0.115 0.000 1.279 371 N HN 0.105 nan 8.380 nan 0.000 0.535 372 G N 0.771 109.661 108.800 0.150 0.000 2.550 372 G HA2 0.588 4.548 3.960 0.000 0.000 0.293 372 G HA3 0.588 4.548 3.960 0.000 0.000 0.293 372 G C -1.773 173.254 174.900 0.213 0.000 1.402 372 G CA -0.736 44.448 45.100 0.140 0.000 0.784 372 G HN 0.348 nan 8.290 nan 0.000 0.482 373 F N -1.411 118.632 119.950 0.155 0.000 2.664 373 F HA 0.903 5.430 4.527 0.000 0.000 0.317 373 F C -0.400 175.495 175.800 0.160 0.000 1.108 373 F CA -1.395 56.660 58.000 0.091 0.000 0.957 373 F CB 1.688 40.803 39.000 0.193 0.000 1.365 373 F HN 0.485 nan 8.300 nan 0.000 0.475 374 S N 1.277 117.148 115.700 0.284 0.000 2.548 374 S HA 0.771 5.241 4.470 0.000 0.000 0.286 374 S C -1.218 173.654 174.600 0.454 0.000 1.098 374 S CA -0.755 57.624 58.200 0.298 0.000 0.930 374 S CB 1.835 65.212 63.200 0.295 0.000 1.070 374 S HN 0.639 nan 8.310 nan 0.000 0.480 375 L N 2.495 123.996 121.223 0.463 0.000 2.333 375 L HA 0.568 4.908 4.340 0.000 0.000 0.280 375 L C -0.192 176.896 176.870 0.363 0.000 1.004 375 L CA -0.564 54.541 54.840 0.441 0.000 0.820 375 L CB 1.884 44.202 42.059 0.432 0.000 1.247 375 L HN 0.796 nan 8.230 nan 0.000 0.416 376 T N 0.256 115.033 114.554 0.373 0.000 3.053 376 T HA 0.430 4.780 4.350 0.000 0.000 0.363 376 T C -2.625 172.207 174.700 0.220 0.000 1.239 376 T CA -2.161 60.110 62.100 0.284 0.000 1.071 376 T CB 0.849 69.861 68.868 0.239 0.000 1.089 376 T HN 0.163 nan 8.240 nan 0.000 0.527 377 P HA 0.251 nan 4.420 nan 0.000 0.271 377 P C -0.697 176.670 177.300 0.111 0.000 1.216 377 P CA -0.238 62.939 63.100 0.128 0.000 0.776 377 P CB 0.628 32.400 31.700 0.119 0.000 0.881 378 N N 0.431 119.180 118.700 0.081 0.000 2.321 378 N HA 0.389 5.130 4.740 0.000 0.000 0.290 378 N C -1.423 174.126 175.510 0.064 0.000 1.212 378 N CA -1.071 52.017 53.050 0.063 0.000 0.767 378 N CB 1.103 39.603 38.487 0.021 0.000 1.494 378 N HN -0.042 nan 8.380 nan 0.000 0.479 379 V N 1.451 121.427 119.914 0.104 0.000 2.385 379 V HA 0.187 4.307 4.120 0.000 0.000 0.269 379 V C 1.490 177.674 176.094 0.149 0.000 1.043 379 V CA -0.060 62.332 62.300 0.154 0.000 0.906 379 V CB 0.244 32.192 31.823 0.208 0.000 0.995 379 V HN 1.038 nan 8.190 nan 0.000 0.467 380 T N 0.331 114.946 114.554 0.101 0.000 2.985 380 T HA -0.062 4.288 4.350 0.000 0.000 0.266 380 T C 0.781 175.435 174.700 -0.077 0.000 1.076 380 T CA 0.963 63.023 62.100 -0.066 0.000 1.135 380 T CB -0.111 68.761 68.868 0.007 0.000 0.890 380 T HN 0.678 nan 8.240 nan 0.000 0.480 381 H N 1.252 120.461 119.070 0.231 0.000 2.379 381 H HA 0.644 5.200 4.556 0.000 0.000 0.229 381 H C -0.024 175.382 175.328 0.130 0.000 1.423 381 H CA -0.792 55.364 56.048 0.182 0.000 1.375 381 H CB 0.247 30.088 29.762 0.132 0.000 1.592 381 H HN 0.467 nan 8.280 nan 0.000 0.507 382 A N 1.422 124.364 122.820 0.204 0.000 2.540 382 A HA 0.050 4.370 4.320 0.000 0.000 0.239 382 A C 1.293 178.919 177.584 0.069 0.000 1.061 382 A CA -0.006 52.127 52.037 0.160 0.000 0.758 382 A CB 0.421 19.486 19.000 0.108 0.000 0.991 382 A HN 0.663 nan 8.150 nan 0.000 0.502 383 R N 1.564 122.083 120.500 0.033 0.000 2.280 383 R HA 0.067 4.407 4.340 0.000 0.000 0.195 383 R C 0.280 176.584 176.300 0.007 0.000 0.935 383 R CA 0.247 56.339 56.100 -0.014 0.000 1.033 383 R CB 0.010 30.265 30.300 -0.075 0.000 0.964 383 R HN 0.640 nan 8.270 nan 0.000 0.489 384 S N 1.462 117.167 115.700 0.009 0.000 2.562 384 S HA 0.185 4.655 4.470 0.000 0.000 0.281 384 S C 0.144 174.706 174.600 -0.063 0.000 1.333 384 S CA -0.002 58.181 58.200 -0.030 0.000 1.052 384 S CB 0.693 63.852 63.200 -0.068 0.000 0.884 384 S HN 0.117 nan 8.310 nan 0.000 0.506 385 R N 1.235 121.691 120.500 -0.073 0.000 2.575 385 R HA 0.597 4.937 4.340 0.000 0.000 0.293 385 R C 0.268 176.491 176.300 -0.127 0.000 0.983 385 R CA -0.513 55.535 56.100 -0.086 0.000 0.887 385 R CB 1.659 31.938 30.300 -0.035 0.000 1.184 385 R HN 0.771 nan 8.270 nan 0.000 0.445 386 G N 0.126 108.825 108.800 -0.169 0.000 3.107 386 G HA2 0.659 4.619 3.960 0.000 0.000 0.232 386 G HA3 0.659 4.619 3.960 0.000 0.000 0.232 386 G C -0.839 173.944 174.900 -0.194 0.000 1.339 386 G CA -0.343 44.642 45.100 -0.192 0.000 1.033 386 G HN 0.509 nan 8.290 nan 0.000 0.567 387 T N -3.342 111.094 114.554 -0.196 0.000 2.903 387 T HA 0.636 4.986 4.350 0.000 0.000 0.299 387 T C -1.280 173.299 174.700 -0.201 0.000 1.093 387 T CA -0.637 61.338 62.100 -0.208 0.000 1.002 387 T CB 1.803 70.546 68.868 -0.209 0.000 1.127 387 T HN 0.588 nan 8.240 nan 0.000 0.488 388 V N 2.004 121.793 119.914 -0.209 0.000 2.448 388 V HA 0.703 4.823 4.120 0.000 0.000 0.295 388 V C -0.021 175.959 176.094 -0.190 0.000 1.025 388 V CA -0.772 61.407 62.300 -0.201 0.000 0.859 388 V CB 1.447 33.140 31.823 -0.217 0.000 0.988 388 V HN 0.893 nan 8.190 nan 0.000 0.431 389 R N 3.160 123.561 120.500 -0.166 0.000 2.867 389 R HA 0.681 5.021 4.340 0.000 0.000 0.268 389 R C -1.272 175.036 176.300 0.014 0.000 1.014 389 R CA -0.986 55.033 56.100 -0.134 0.000 0.946 389 R CB 2.173 32.301 30.300 -0.286 0.000 1.208 389 R HN 0.540 nan 8.270 nan 0.000 0.477 390 L N 1.938 123.313 121.223 0.254 0.000 2.380 390 L HA 0.283 4.623 4.340 0.000 0.000 0.273 390 L C 1.684 178.454 176.870 -0.167 0.000 1.138 390 L CA 0.126 54.913 54.840 -0.088 0.000 0.832 390 L CB 0.828 42.651 42.059 -0.394 0.000 1.124 390 L HN 0.609 nan 8.230 nan 0.000 0.454 391 R N 1.203 121.600 120.500 -0.172 0.000 2.161 391 R HA 0.011 4.351 4.340 0.000 0.000 0.213 391 R C 0.324 176.536 176.300 -0.147 0.000 1.055 391 R CA 0.869 56.912 56.100 -0.096 0.000 0.996 391 R CB 0.434 30.705 30.300 -0.048 0.000 0.901 391 R HN 0.869 nan 8.270 nan 0.000 0.456 392 S N -1.831 113.685 115.700 -0.306 0.000 2.655 392 S HA 0.111 4.581 4.470 0.000 0.000 0.266 392 S C 0.001 174.463 174.600 -0.229 0.000 1.149 392 S CA -0.997 57.088 58.200 -0.192 0.000 0.818 392 S CB 0.775 63.961 63.200 -0.023 0.000 1.130 392 S HN 0.320 nan 8.310 nan 0.000 0.476 393 R N 0.064 120.532 120.500 -0.052 0.000 2.313 393 R HA 0.160 4.500 4.340 0.000 0.000 0.199 393 R C -0.354 175.963 176.300 0.029 0.000 0.958 393 R CA 0.342 56.433 56.100 -0.014 0.000 1.047 393 R CB -0.452 29.875 30.300 0.045 0.000 0.955 393 R HN 0.554 nan 8.270 nan 0.000 0.481 394 D N 1.419 121.829 120.400 0.017 0.000 2.313 394 D HA -0.028 4.612 4.640 0.000 0.000 0.239 394 D C 0.860 177.166 176.300 0.011 0.000 1.142 394 D CA -1.022 53.002 54.000 0.041 0.000 0.847 394 D CB 0.647 41.442 40.800 -0.009 0.000 1.082 394 D HN 0.233 nan 8.370 nan 0.000 0.480 395 F N 3.387 123.322 119.950 -0.024 0.000 2.373 395 F HA -0.047 4.480 4.527 0.000 0.000 0.300 395 F C 1.467 177.266 175.800 -0.002 0.000 1.080 395 F CA 0.599 58.583 58.000 -0.025 0.000 1.417 395 F CB -0.148 38.839 39.000 -0.021 0.000 1.070 395 F HN 0.211 nan 8.300 nan 0.000 0.546 396 R N 0.256 120.293 120.500 -0.772 0.000 2.276 396 R HA 0.045 4.385 4.340 0.000 0.000 0.196 396 R C -0.310 175.866 176.300 -0.207 0.000 0.961 396 R CA 0.257 55.995 56.100 -0.603 0.000 1.024 396 R CB -0.349 29.517 30.300 -0.723 0.000 0.940 396 R HN 0.226 nan 8.270 nan 0.000 0.480 397 D N 2.087 122.404 120.400 -0.139 0.000 2.308 397 D HA 0.073 4.713 4.640 0.000 0.000 0.251 397 D C -0.214 176.079 176.300 -0.011 0.000 1.127 397 D CA 0.113 54.083 54.000 -0.050 0.000 0.876 397 D CB 0.937 41.709 40.800 -0.048 0.000 1.176 397 D HN -0.090 nan 8.370 nan 0.000 0.446 398 K N 3.386 123.820 120.400 0.055 0.000 2.485 398 K HA 0.096 4.417 4.320 0.000 0.000 0.277 398 K C -2.009 174.566 176.600 -0.043 0.000 0.990 398 K CA -0.858 55.486 56.287 0.096 0.000 0.994 398 K CB 0.123 32.768 32.500 0.242 0.000 0.906 398 K HN 0.278 nan 8.250 nan 0.000 0.488 399 P HA 0.011 nan 4.420 nan 0.000 0.274 399 P C -0.673 176.538 177.300 -0.149 0.000 1.246 399 P CA -0.055 62.926 63.100 -0.199 0.000 0.795 399 P CB 0.539 32.047 31.700 -0.320 0.000 1.006 400 M N 0.858 120.391 119.600 -0.111 0.000 2.077 400 M HA 0.224 4.704 4.480 0.000 0.000 0.348 400 M C -0.540 175.695 176.300 -0.110 0.000 1.252 400 M CA -0.467 54.787 55.300 -0.076 0.000 1.096 400 M CB 0.602 33.175 32.600 -0.045 0.000 1.568 400 M HN -0.014 nan 8.290 nan 0.000 0.456 401 V N 2.749 122.609 119.914 -0.088 0.000 2.333 401 V HA 0.255 4.375 4.120 0.000 0.000 0.274 401 V C -0.476 175.589 176.094 -0.048 0.000 1.028 401 V CA -0.407 61.834 62.300 -0.097 0.000 0.851 401 V CB 1.273 33.054 31.823 -0.070 0.000 1.000 401 V HN 0.664 nan 8.190 nan 0.000 0.456 402 D N 6.897 127.239 120.400 -0.097 0.000 2.408 402 D HA 0.411 5.051 4.640 0.000 0.000 0.261 402 D C -2.051 174.140 176.300 -0.181 0.000 1.190 402 D CA -1.989 51.955 54.000 -0.094 0.000 0.910 402 D CB 2.416 43.166 40.800 -0.085 0.000 1.097 402 D HN 0.189 nan 8.370 nan 0.000 0.522 403 P HA 0.008 nan 4.420 nan 0.000 0.230 403 P C -0.246 176.743 177.300 -0.517 0.000 1.158 403 P CA 0.202 62.981 63.100 -0.535 0.000 0.769 403 P CB 0.160 31.188 31.700 -1.121 0.000 0.807 404 R N -2.535 117.776 120.500 -0.316 0.000 3.333 404 R HA -0.203 4.137 4.340 0.000 0.000 0.256 404 R C -0.596 175.602 176.300 -0.170 0.000 1.010 404 R CA 0.230 56.233 56.100 -0.162 0.000 0.680 404 R CB -3.038 27.192 30.300 -0.117 0.000 1.102 404 R HN 0.359 nan 8.270 nan 0.000 0.440 405 Y N 0.681 120.936 120.300 -0.075 0.000 2.811 405 Y HA -0.125 4.425 4.550 0.000 0.000 0.334 405 Y C 1.398 177.210 175.900 -0.147 0.000 1.247 405 Y CA 0.676 58.595 58.100 -0.301 0.000 1.526 405 Y CB 0.144 38.352 38.460 -0.420 0.000 1.284 405 Y HN 0.196 nan 8.280 nan 0.000 0.586 406 F N 0.341 120.364 119.950 0.121 0.000 3.074 406 F HA -0.284 4.243 4.527 0.000 0.000 0.287 406 F C 1.080 176.916 175.800 0.060 0.000 0.932 406 F CA 1.045 59.085 58.000 0.067 0.000 0.995 406 F CB -2.257 36.755 39.000 0.021 0.000 0.966 406 F HN 0.614 nan 8.300 nan 0.000 0.721 407 T N -4.012 110.630 114.554 0.146 0.000 3.044 407 T HA 0.096 4.446 4.350 0.000 0.000 0.260 407 T C 0.420 175.170 174.700 0.083 0.000 1.019 407 T CA 0.132 62.294 62.100 0.103 0.000 0.921 407 T CB 0.071 68.969 68.868 0.051 0.000 1.053 407 T HN 0.489 nan 8.240 nan 0.000 0.533 408 D N 2.880 123.337 120.400 0.095 0.000 2.455 408 D HA 0.035 4.676 4.640 0.000 0.000 0.241 408 D C -1.455 174.899 176.300 0.089 0.000 1.138 408 D CA -1.192 52.856 54.000 0.081 0.000 0.877 408 D CB 1.573 42.429 40.800 0.095 0.000 1.187 408 D HN 0.096 nan 8.370 nan 0.000 0.451 409 P HA -0.123 nan 4.420 nan 0.000 0.221 409 P C 0.671 178.014 177.300 0.072 0.000 1.150 409 P CA 0.945 64.082 63.100 0.062 0.000 0.800 409 P CB 0.328 32.056 31.700 0.045 0.000 0.787 410 E N -0.768 119.484 120.200 0.086 0.000 2.489 410 E HA 0.148 4.498 4.350 0.000 0.000 0.193 410 E C 1.343 178.013 176.600 0.116 0.000 1.057 410 E CA 0.511 56.968 56.400 0.094 0.000 0.866 410 E CB -0.565 29.194 29.700 0.097 0.000 0.916 410 E HN 0.297 nan 8.360 nan 0.000 0.500 411 G N 2.050 110.930 108.800 0.133 0.000 2.179 411 G HA2 -0.369 3.591 3.960 0.000 0.000 0.257 411 G HA3 -0.369 3.591 3.960 0.000 0.000 0.257 411 G C 0.850 175.854 174.900 0.172 0.000 1.010 411 G CA 0.806 45.990 45.100 0.141 0.000 0.736 411 G HN 0.486 nan 8.290 nan 0.000 0.513 412 H N 0.659 119.793 119.070 0.106 0.000 2.290 412 H HA -0.104 4.452 4.556 0.000 0.000 0.298 412 H C 2.071 177.489 175.328 0.149 0.000 1.087 412 H CA 2.208 58.324 56.048 0.112 0.000 1.291 412 H CB 0.109 29.934 29.762 0.104 0.000 1.369 412 H HN 0.461 nan 8.280 nan 0.000 0.492 413 D N 0.355 120.972 120.400 0.362 0.000 2.117 413 D HA -0.144 4.496 4.640 0.000 0.000 0.197 413 D C 2.370 178.901 176.300 0.385 0.000 0.987 413 D CA 1.039 55.266 54.000 0.379 0.000 0.829 413 D CB -0.439 40.557 40.800 0.327 0.000 0.961 413 D HN 0.328 nan 8.370 nan 0.000 0.460 414 M N 0.622 120.432 119.600 0.351 0.000 2.117 414 M HA -0.081 4.400 4.480 0.000 0.000 0.262 414 M C 1.979 178.290 176.300 0.018 0.000 1.065 414 M CA 1.367 56.719 55.300 0.086 0.000 1.114 414 M CB -0.165 32.433 32.600 -0.004 0.000 1.361 414 M HN -0.166 nan 8.290 nan 0.000 0.408 415 R N -0.739 119.770 120.500 0.016 0.000 2.083 415 R HA -0.135 4.205 4.340 0.000 0.000 0.237 415 R C 1.808 178.080 176.300 -0.046 0.000 1.137 415 R CA 2.047 58.131 56.100 -0.026 0.000 0.951 415 R CB -0.485 29.791 30.300 -0.039 0.000 0.851 415 R HN 0.356 nan 8.270 nan 0.000 0.434 416 V N 0.959 120.818 119.914 -0.092 0.000 2.427 416 V HA -0.237 3.883 4.120 0.000 0.000 0.248 416 V C 2.349 178.457 176.094 0.023 0.000 1.051 416 V CA 1.687 63.947 62.300 -0.066 0.000 1.048 416 V CB -0.386 31.364 31.823 -0.122 0.000 0.666 416 V HN 0.366 nan 8.190 nan 0.000 0.456 417 M N -0.027 119.613 119.600 0.067 0.000 2.132 417 M HA -0.096 4.384 4.480 0.000 0.000 0.263 417 M C 1.981 178.305 176.300 0.040 0.000 1.065 417 M CA 1.746 57.096 55.300 0.083 0.000 1.122 417 M CB -0.528 32.136 32.600 0.107 0.000 1.365 417 M HN 0.135 nan 8.290 nan 0.000 0.411 418 V N 0.412 120.330 119.914 0.007 0.000 2.287 418 V HA -0.288 3.832 4.120 0.000 0.000 0.248 418 V C 2.561 178.668 176.094 0.023 0.000 1.053 418 V CA 1.930 64.234 62.300 0.008 0.000 1.027 418 V CB -1.766 30.052 31.823 -0.009 0.000 0.646 418 V HN 0.626 nan 8.190 nan 0.000 0.447 419 A N 0.505 123.337 122.820 0.020 0.000 1.908 419 A HA -0.156 4.164 4.320 0.000 0.000 0.218 419 A C 2.424 180.034 177.584 0.045 0.000 1.181 419 A CA 2.128 54.182 52.037 0.028 0.000 0.627 419 A CB -1.291 17.721 19.000 0.019 0.000 0.818 419 A HN 0.556 nan 8.150 nan 0.000 0.445 420 G N -0.051 108.782 108.800 0.054 0.000 2.440 420 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 420 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 420 G C 1.529 176.481 174.900 0.087 0.000 1.154 420 G CA 1.150 46.294 45.100 0.073 0.000 0.767 420 G HN 0.496 nan 8.290 nan 0.000 0.552 421 I N 0.096 120.715 120.570 0.081 0.000 2.226 421 I HA -0.147 4.023 4.170 0.000 0.000 0.245 421 I C 3.057 179.219 176.117 0.075 0.000 1.100 421 I CA 0.941 62.290 61.300 0.082 0.000 1.374 421 I CB -0.190 37.848 38.000 0.064 0.000 1.057 421 I HN 0.087 nan 8.210 nan 0.000 0.413 422 R N 0.617 121.151 120.500 0.057 0.000 2.081 422 R HA -0.208 4.132 4.340 0.000 0.000 0.235 422 R C 2.308 178.649 176.300 0.069 0.000 1.131 422 R CA 1.310 57.443 56.100 0.055 0.000 0.960 422 R CB -0.324 29.999 30.300 0.038 0.000 0.856 422 R HN 0.125 nan 8.270 nan 0.000 0.436 423 K N 1.128 121.569 120.400 0.069 0.000 2.097 423 K HA -0.039 4.281 4.320 0.000 0.000 0.205 423 K C 1.872 178.526 176.600 0.090 0.000 1.050 423 K CA 1.548 57.876 56.287 0.069 0.000 0.938 423 K CB -0.316 32.221 32.500 0.061 0.000 0.718 423 K HN 0.129 nan 8.250 nan 0.000 0.442 424 A N 0.972 123.865 122.820 0.122 0.000 1.883 424 A HA -0.185 4.135 4.320 0.000 0.000 0.217 424 A C 2.180 179.896 177.584 0.220 0.000 1.186 424 A CA 1.875 54.021 52.037 0.181 0.000 0.624 424 A CB -0.555 18.580 19.000 0.224 0.000 0.822 424 A HN 0.383 nan 8.150 nan 0.000 0.444 425 R N -0.755 119.873 120.500 0.214 0.000 2.096 425 R HA -0.150 4.190 4.340 0.000 0.000 0.235 425 R C 2.342 178.721 176.300 0.132 0.000 1.127 425 R CA 1.504 57.745 56.100 0.236 0.000 0.968 425 R CB -0.280 30.123 30.300 0.173 0.000 0.861 425 R HN 0.807 nan 8.270 nan 0.000 0.440 426 E N 0.982 121.236 120.200 0.091 0.000 2.047 426 E HA -0.186 4.164 4.350 0.000 0.000 0.191 426 E C 1.935 178.555 176.600 0.033 0.000 0.987 426 E CA 1.106 57.538 56.400 0.054 0.000 0.799 426 E CB -0.000 29.727 29.700 0.045 0.000 0.752 426 E HN 0.285 nan 8.360 nan 0.000 0.449 427 I N 1.104 121.695 120.570 0.034 0.000 2.179 427 I HA -0.258 3.912 4.170 0.000 0.000 0.242 427 I C 2.583 178.681 176.117 -0.031 0.000 1.088 427 I CA 1.127 62.427 61.300 -0.000 0.000 1.357 427 I CB -0.336 37.663 38.000 -0.000 0.000 1.051 427 I HN 0.167 nan 8.210 nan 0.000 0.409 428 A N 0.482 123.285 122.820 -0.029 0.000 2.070 428 A HA -0.021 4.299 4.320 0.000 0.000 0.220 428 A C 2.323 179.837 177.584 -0.116 0.000 1.159 428 A CA 1.587 53.537 52.037 -0.145 0.000 0.656 428 A CB -0.559 18.191 19.000 -0.415 0.000 0.800 428 A HN 0.446 nan 8.150 nan 0.000 0.453 429 A N -1.146 121.649 122.820 -0.041 0.000 2.251 429 A HA 0.192 4.513 4.320 0.000 0.000 0.209 429 A C 0.910 178.488 177.584 -0.010 0.000 1.187 429 A CA -0.102 51.927 52.037 -0.013 0.000 0.823 429 A CB -0.070 18.942 19.000 0.020 0.000 0.846 429 A HN 0.466 nan 8.150 nan 0.000 0.486 430 Q N -0.128 119.661 119.800 -0.019 0.000 2.394 430 Q HA 0.136 4.477 4.340 0.000 0.000 0.248 430 Q C -1.686 174.306 176.000 -0.013 0.000 0.992 430 Q CA -1.868 53.926 55.803 -0.016 0.000 0.888 430 Q CB 0.063 28.786 28.738 -0.024 0.000 1.257 430 Q HN 0.089 nan 8.270 nan 0.000 0.462 431 P HA -0.217 nan 4.420 nan 0.000 0.217 431 P C 0.777 178.076 177.300 -0.002 0.000 1.151 431 P CA 2.195 65.291 63.100 -0.006 0.000 0.849 431 P CB 0.123 31.819 31.700 -0.007 0.000 0.787 432 A N -1.571 121.246 122.820 -0.005 0.000 2.070 432 A HA -0.122 4.198 4.320 0.000 0.000 0.220 432 A C 1.921 179.531 177.584 0.044 0.000 1.159 432 A CA 1.436 53.477 52.037 0.007 0.000 0.656 432 A CB -1.010 17.981 19.000 -0.016 0.000 0.800 432 A HN 0.092 nan 8.150 nan 0.000 0.453 433 M N -1.095 118.522 119.600 0.028 0.000 2.371 433 M HA 0.240 4.720 4.480 0.000 0.000 0.246 433 M C 2.049 178.401 176.300 0.086 0.000 1.103 433 M CA 0.593 55.940 55.300 0.079 0.000 1.010 433 M CB -0.763 31.824 32.600 -0.023 0.000 1.457 433 M HN 0.461 nan 8.290 nan 0.000 0.486 434 A N 1.591 124.428 122.820 0.030 0.000 1.948 434 A HA -0.198 4.122 4.320 0.000 0.000 0.220 434 A C 1.888 179.447 177.584 -0.042 0.000 1.177 434 A CA 2.105 54.141 52.037 -0.002 0.000 0.636 434 A CB -0.647 18.343 19.000 -0.016 0.000 0.815 434 A HN 0.697 nan 8.150 nan 0.000 0.449 435 E N -2.593 117.539 120.200 -0.113 0.000 2.511 435 E HA -0.089 4.261 4.350 0.000 0.000 0.196 435 E C 1.244 177.516 176.600 -0.546 0.000 1.066 435 E CA 0.448 56.651 56.400 -0.329 0.000 0.871 435 E CB -0.197 29.242 29.700 -0.434 0.000 0.863 435 E HN 0.866 nan 8.360 nan 0.000 0.520 436 W N 0.874 122.175 121.300 0.001 0.000 3.298 436 W HA 0.182 4.842 4.660 0.000 0.000 0.239 436 W C 0.478 177.100 176.519 0.172 0.000 1.082 436 W CA -0.130 57.248 57.345 0.055 0.000 1.711 436 W CB 0.170 29.590 29.460 -0.067 0.000 0.944 436 W HN -0.246 nan 8.180 nan 0.000 0.712 437 T N 1.671 116.418 114.554 0.322 0.000 2.743 437 T HA 0.411 4.761 4.350 0.000 0.000 0.290 437 T C 0.605 175.399 174.700 0.156 0.000 0.908 437 T CA 0.263 62.495 62.100 0.219 0.000 1.092 437 T CB 0.391 69.232 68.868 -0.046 0.000 0.882 437 T HN 0.136 nan 8.240 nan 0.000 0.531 438 G N 2.167 111.090 108.800 0.205 0.000 2.695 438 G HA2 0.402 4.362 3.960 0.000 0.000 0.213 438 G HA3 0.402 4.362 3.960 0.000 0.000 0.213 438 G C -0.034 174.991 174.900 0.208 0.000 1.406 438 G CA -0.922 44.276 45.100 0.164 0.000 1.049 438 G HN 0.697 nan 8.290 nan 0.000 0.573 439 R N 0.690 121.279 120.500 0.148 0.000 2.585 439 R HA 0.011 4.351 4.340 0.000 0.000 0.275 439 R C -0.048 176.335 176.300 0.138 0.000 1.018 439 R CA 0.167 56.342 56.100 0.125 0.000 1.072 439 R CB 0.208 30.545 30.300 0.062 0.000 0.953 439 R HN 0.551 nan 8.270 nan 0.000 0.419 440 E N 4.812 125.060 120.200 0.081 0.000 2.129 440 E HA -0.000 4.350 4.350 0.000 0.000 0.283 440 E C 0.602 177.073 176.600 -0.214 0.000 1.080 440 E CA -0.201 56.059 56.400 -0.232 0.000 0.867 440 E CB 0.642 30.184 29.700 -0.263 0.000 1.056 440 E HN 0.653 nan 8.360 nan 0.000 0.404 441 L N 3.151 124.223 121.223 -0.252 0.000 2.095 441 L HA -0.023 4.317 4.340 0.000 0.000 0.204 441 L C 0.979 177.791 176.870 -0.098 0.000 1.080 441 L CA 0.516 55.284 54.840 -0.120 0.000 0.759 441 L CB -0.169 41.839 42.059 -0.086 0.000 0.914 441 L HN 0.441 nan 8.230 nan 0.000 0.439 442 S N -2.563 112.981 115.700 -0.260 0.000 2.536 442 S HA 0.397 4.867 4.470 0.000 0.000 0.271 442 S C -2.363 171.915 174.600 -0.536 0.000 1.134 442 S CA -1.208 56.755 58.200 -0.396 0.000 0.897 442 S CB 1.938 64.888 63.200 -0.417 0.000 1.094 442 S HN -0.205 nan 8.310 nan 0.000 0.473 443 P HA 0.185 nan 4.420 nan 0.000 0.230 443 P C 0.861 177.949 177.300 -0.353 0.000 1.158 443 P CA 1.331 63.768 63.100 -1.105 0.000 0.769 443 P CB -0.652 30.147 31.700 -1.501 0.000 0.807 444 G N -0.106 108.531 108.800 -0.273 0.000 2.719 444 G HA2 -0.142 3.818 3.960 0.000 0.000 0.686 444 G HA3 -0.142 3.818 3.960 0.000 0.000 0.686 444 G C 0.513 175.352 174.900 -0.102 0.000 1.201 444 G CA -0.464 44.564 45.100 -0.121 0.000 0.768 444 G HN 0.061 nan 8.290 nan 0.000 0.629 445 V N -0.682 119.200 119.914 -0.054 0.000 2.720 445 V HA -0.073 4.047 4.120 0.000 0.000 0.256 445 V C 2.321 178.399 176.094 -0.026 0.000 1.082 445 V CA 2.683 64.966 62.300 -0.028 0.000 1.101 445 V CB -0.475 31.352 31.823 0.006 0.000 0.693 445 V HN 1.029 nan 8.190 nan 0.000 0.479 446 E N 2.092 122.277 120.200 -0.026 0.000 2.204 446 E HA -0.087 4.263 4.350 0.000 0.000 0.195 446 E C 1.189 177.773 176.600 -0.026 0.000 0.990 446 E CA 0.904 57.292 56.400 -0.019 0.000 0.821 446 E CB -0.129 29.562 29.700 -0.014 0.000 0.750 446 E HN 0.758 nan 8.360 nan 0.000 0.477 447 A N 1.068 123.858 122.820 -0.050 0.000 2.310 447 A HA 0.202 4.522 4.320 0.000 0.000 0.300 447 A C 0.333 177.884 177.584 -0.055 0.000 1.269 447 A CA -0.417 51.584 52.037 -0.060 0.000 0.909 447 A CB 1.126 20.051 19.000 -0.126 0.000 1.144 447 A HN 0.211 nan 8.150 nan 0.000 0.540 448 Q N 0.806 120.589 119.800 -0.028 0.000 2.445 448 Q HA 0.099 4.439 4.340 0.000 0.000 0.257 448 Q C 0.995 176.990 176.000 -0.009 0.000 0.806 448 Q CA 1.269 57.062 55.803 -0.017 0.000 0.987 448 Q CB 0.569 29.302 28.738 -0.009 0.000 1.248 448 Q HN 0.832 nan 8.270 nan 0.000 0.542 449 T N -1.032 113.518 114.554 -0.005 0.000 2.828 449 T HA 0.147 4.497 4.350 0.000 0.000 0.290 449 T C 0.553 175.253 174.700 -0.001 0.000 1.019 449 T CA -0.115 61.984 62.100 -0.001 0.000 1.031 449 T CB 0.648 69.517 68.868 0.002 0.000 1.001 449 T HN -0.043 nan 8.240 nan 0.000 0.531 450 D N 0.229 120.630 120.400 0.001 0.000 2.133 450 D HA -0.148 4.492 4.640 0.000 0.000 0.192 450 D C 1.880 178.178 176.300 -0.003 0.000 1.001 450 D CA 1.857 55.856 54.000 -0.001 0.000 0.844 450 D CB -0.282 40.518 40.800 0.001 0.000 0.944 450 D HN 0.902 nan 8.370 nan 0.000 0.447 451 E N 0.372 120.572 120.200 0.000 0.000 2.085 451 E HA -0.219 4.131 4.350 0.000 0.000 0.194 451 E C 1.800 178.404 176.600 0.007 0.000 0.994 451 E CA 1.162 57.563 56.400 0.002 0.000 0.801 451 E CB 0.072 29.775 29.700 0.005 0.000 0.743 451 E HN 0.351 nan 8.360 nan 0.000 0.453 452 E N 0.173 120.379 120.200 0.010 0.000 2.106 452 E HA -0.159 4.191 4.350 0.000 0.000 0.192 452 E C 2.263 178.885 176.600 0.037 0.000 0.984 452 E CA 0.926 57.338 56.400 0.020 0.000 0.806 452 E CB -0.002 29.702 29.700 0.006 0.000 0.750 452 E HN 0.337 nan 8.360 nan 0.000 0.458 453 L N 0.734 121.969 121.223 0.020 0.000 2.109 453 L HA -0.177 4.163 4.340 0.000 0.000 0.207 453 L C 2.506 179.403 176.870 0.046 0.000 1.086 453 L CA 1.002 55.867 54.840 0.043 0.000 0.760 453 L CB -0.324 41.742 42.059 0.012 0.000 0.910 453 L HN 0.142 nan 8.230 nan 0.000 0.437 454 Q N 0.002 119.794 119.800 -0.013 0.000 2.096 454 Q HA -0.228 4.112 4.340 0.000 0.000 0.204 454 Q C 1.783 177.744 176.000 -0.066 0.000 0.982 454 Q CA 1.703 57.460 55.803 -0.076 0.000 0.850 454 Q CB -0.124 28.576 28.738 -0.064 0.000 0.901 454 Q HN 0.458 nan 8.270 nan 0.000 0.422 455 D N -0.240 120.157 120.400 -0.006 0.000 2.117 455 D HA -0.175 4.465 4.640 0.000 0.000 0.197 455 D C 1.579 177.887 176.300 0.014 0.000 0.987 455 D CA 1.015 55.017 54.000 0.004 0.000 0.829 455 D CB -0.346 40.472 40.800 0.029 0.000 0.961 455 D HN 0.317 nan 8.370 nan 0.000 0.460 456 Y N 1.088 121.345 120.300 -0.072 0.000 2.181 456 Y HA -0.148 4.402 4.550 0.000 0.000 0.288 456 Y C 2.181 178.013 175.900 -0.114 0.000 1.146 456 Y CA 1.276 59.326 58.100 -0.084 0.000 1.164 456 Y CB -0.197 38.212 38.460 -0.085 0.000 0.982 456 Y HN -0.112 nan 8.280 nan 0.000 0.515 457 I N 0.244 120.698 120.570 -0.192 0.000 2.179 457 I HA -0.314 3.856 4.170 0.000 0.000 0.242 457 I C 2.725 178.706 176.117 -0.227 0.000 1.088 457 I CA 1.685 62.804 61.300 -0.301 0.000 1.357 457 I CB -0.484 37.308 38.000 -0.346 0.000 1.051 457 I HN 0.170 nan 8.210 nan 0.000 0.409 458 R N 1.413 121.796 120.500 -0.195 0.000 2.103 458 R HA -0.231 4.109 4.340 0.000 0.000 0.242 458 R C 2.218 178.537 176.300 0.032 0.000 1.142 458 R CA 1.818 57.905 56.100 -0.022 0.000 0.960 458 R CB -0.072 30.208 30.300 -0.033 0.000 0.858 458 R HN 0.257 nan 8.270 nan 0.000 0.439 459 K N -1.129 119.190 120.400 -0.136 0.000 2.155 459 K HA -0.050 4.270 4.320 0.000 0.000 0.203 459 K C 1.540 177.998 176.600 -0.236 0.000 1.052 459 K CA 1.707 57.846 56.287 -0.247 0.000 0.948 459 K CB 0.303 32.480 32.500 -0.537 0.000 0.728 459 K HN 0.397 nan 8.250 nan 0.000 0.448 460 T N -2.347 112.000 114.554 -0.345 0.000 3.043 460 T HA 0.063 4.413 4.350 0.000 0.000 0.272 460 T C 0.214 174.723 174.700 -0.318 0.000 0.990 460 T CA -0.612 61.262 62.100 -0.377 0.000 0.897 460 T CB -0.366 68.086 68.868 -0.693 0.000 1.111 460 T HN 0.257 nan 8.240 nan 0.000 0.529 461 H N 1.136 120.079 119.070 -0.211 0.000 2.757 461 H HA 0.697 5.253 4.556 0.000 0.000 0.370 461 H C 0.331 175.576 175.328 -0.139 0.000 1.172 461 H CA -0.216 55.752 56.048 -0.132 0.000 1.426 461 H CB 0.340 30.110 29.762 0.013 0.000 1.438 461 H HN 0.172 nan 8.280 nan 0.000 0.612 462 N N -0.568 118.080 118.700 -0.088 0.000 3.357 462 N HA 0.401 5.141 4.740 0.000 0.000 0.359 462 N C -1.143 174.229 175.510 -0.229 0.000 1.477 462 N CA -0.110 52.823 53.050 -0.195 0.000 0.645 462 N CB 1.902 40.365 38.487 -0.040 0.000 1.703 462 N HN 0.842 nan 8.380 nan 0.000 0.597 463 T N -1.209 113.085 114.554 -0.434 0.000 2.896 463 T HA 0.429 4.779 4.350 0.000 0.000 0.297 463 T C 0.083 174.374 174.700 -0.683 0.000 1.108 463 T CA -0.626 61.178 62.100 -0.493 0.000 1.004 463 T CB 0.964 69.522 68.868 -0.516 0.000 1.159 463 T HN 0.060 nan 8.240 nan 0.000 0.499 464 V N 2.779 122.365 119.914 -0.545 0.000 3.623 464 V HA 0.198 4.318 4.120 0.000 0.000 0.271 464 V C -0.054 175.702 176.094 -0.562 0.000 1.248 464 V CA 0.146 62.045 62.300 -0.668 0.000 1.156 464 V CB -1.947 29.424 31.823 -0.754 0.000 0.870 464 V HN 1.029 nan 8.190 nan 0.000 0.453 465 Y N -0.780 119.388 120.300 -0.219 0.000 3.612 465 Y HA -0.193 4.357 4.550 0.000 0.000 0.225 465 Y C 0.532 176.645 175.900 0.354 0.000 1.521 465 Y CA 0.306 58.480 58.100 0.123 0.000 1.743 465 Y CB -2.897 35.645 38.460 0.137 0.000 1.583 465 Y HN 0.579 nan 8.280 nan 0.000 0.611 466 H N -0.437 118.828 119.070 0.325 0.000 2.534 466 H HA 0.229 4.786 4.556 0.000 0.000 0.250 466 H C -2.327 173.123 175.328 0.204 0.000 1.256 466 H CA -2.074 54.146 56.048 0.287 0.000 1.000 466 H CB 0.603 30.564 29.762 0.331 0.000 1.801 466 H HN 0.032 nan 8.280 nan 0.000 0.569 467 P HA 0.007 nan 4.420 nan 0.000 0.271 467 P C 0.024 177.249 177.300 -0.124 0.000 1.220 467 P CA 0.105 63.193 63.100 -0.021 0.000 0.768 467 P CB 1.817 33.392 31.700 -0.207 0.000 0.848 468 V N -1.275 118.478 119.914 -0.267 0.000 3.181 468 V HA 0.895 5.015 4.120 0.000 0.000 0.308 468 V C 0.735 176.643 176.094 -0.311 0.000 1.214 468 V CA -0.248 61.845 62.300 -0.346 0.000 1.053 468 V CB 1.064 32.524 31.823 -0.605 0.000 1.069 468 V HN 0.738 nan 8.190 nan 0.000 0.441 469 G N 0.688 109.309 108.800 -0.299 0.000 2.175 469 G HA2 -0.242 3.718 3.960 0.000 0.000 0.244 469 G HA3 -0.242 3.718 3.960 0.000 0.000 0.244 469 G C 0.734 175.522 174.900 -0.188 0.000 0.982 469 G CA 1.113 46.044 45.100 -0.281 0.000 0.641 469 G HN 2.088 nan 8.290 nan 0.000 0.527 470 T N -2.078 112.368 114.554 -0.179 0.000 3.085 470 T HA 0.368 4.718 4.350 0.000 0.000 0.263 470 T C 0.898 175.525 174.700 -0.123 0.000 1.127 470 T CA 1.183 63.193 62.100 -0.150 0.000 1.103 470 T CB 0.606 69.371 68.868 -0.172 0.000 0.921 470 T HN 0.871 nan 8.240 nan 0.000 0.510 471 V N 2.797 122.630 119.914 -0.135 0.000 2.464 471 V HA 0.316 4.436 4.120 0.000 0.000 0.255 471 V C 0.169 176.172 176.094 -0.152 0.000 0.946 471 V CA -1.351 60.880 62.300 -0.115 0.000 0.988 471 V CB -0.001 31.758 31.823 -0.106 0.000 1.210 471 V HN 0.529 nan 8.190 nan 0.000 0.523 472 R N 2.380 122.786 120.500 -0.156 0.000 2.594 472 R HA 0.609 4.949 4.340 0.000 0.000 0.272 472 R C 0.337 176.486 176.300 -0.252 0.000 1.074 472 R CA -0.515 55.426 56.100 -0.265 0.000 1.105 472 R CB 0.812 30.923 30.300 -0.315 0.000 1.008 472 R HN 0.609 nan 8.270 nan 0.000 0.472 473 M N 0.804 120.197 119.600 -0.346 0.000 2.226 473 M HA 0.581 5.061 4.480 0.000 0.000 0.324 473 M C 0.007 176.160 176.300 -0.245 0.000 1.112 473 M CA 0.335 55.462 55.300 -0.288 0.000 1.176 473 M CB 1.156 33.515 32.600 -0.402 0.000 1.430 473 M HN 0.866 nan 8.290 nan 0.000 0.462 474 G N 0.190 108.908 108.800 -0.137 0.000 2.340 474 G HA2 0.550 4.510 3.960 0.000 0.000 0.299 474 G HA3 0.550 4.510 3.960 0.000 0.000 0.299 474 G C -1.771 173.115 174.900 -0.022 0.000 1.291 474 G CA -0.593 44.460 45.100 -0.080 0.000 0.841 474 G HN 1.092 nan 8.290 nan 0.000 0.500 475 A N -0.452 122.365 122.820 -0.005 0.000 2.531 475 A HA 0.467 4.787 4.320 0.000 0.000 0.236 475 A C 1.774 179.361 177.584 0.004 0.000 1.062 475 A CA 0.547 52.590 52.037 0.010 0.000 0.760 475 A CB 0.463 19.467 19.000 0.008 0.000 0.995 475 A HN 1.472 nan 8.150 nan 0.000 0.501 476 V N 2.157 122.079 119.914 0.014 0.000 2.370 476 V HA -0.252 3.868 4.120 0.000 0.000 0.252 476 V C 2.523 178.619 176.094 0.003 0.000 1.068 476 V CA 2.513 64.819 62.300 0.010 0.000 1.061 476 V CB -0.786 31.047 31.823 0.017 0.000 0.656 476 V HN 1.049 nan 8.190 nan 0.000 0.455 477 E N 0.328 120.530 120.200 0.002 0.000 2.478 477 E HA -0.079 4.271 4.350 0.000 0.000 0.194 477 E C 0.485 177.083 176.600 -0.004 0.000 1.045 477 E CA 0.203 56.603 56.400 -0.001 0.000 0.868 477 E CB -0.278 29.423 29.700 0.001 0.000 0.885 477 E HN 0.583 nan 8.360 nan 0.000 0.505 478 D N 2.124 122.519 120.400 -0.007 0.000 2.352 478 D HA 0.007 4.647 4.640 0.000 0.000 0.245 478 D C 0.663 176.956 176.300 -0.011 0.000 1.224 478 D CA -0.084 53.909 54.000 -0.011 0.000 0.879 478 D CB 0.857 41.645 40.800 -0.019 0.000 1.057 478 D HN -0.039 nan 8.370 nan 0.000 0.491 479 E N 2.902 123.098 120.200 -0.006 0.000 2.265 479 E HA -0.125 4.225 4.350 0.000 0.000 0.196 479 E C 1.082 177.684 176.600 0.003 0.000 0.996 479 E CA 0.706 57.103 56.400 -0.005 0.000 0.832 479 E CB 0.183 29.880 29.700 -0.005 0.000 0.756 479 E HN 0.630 nan 8.360 nan 0.000 0.491 480 M N -0.128 119.482 119.600 0.016 0.000 2.495 480 M HA 0.072 4.553 4.480 0.000 0.000 0.237 480 M C 0.419 176.758 176.300 0.066 0.000 1.131 480 M CA 0.390 55.730 55.300 0.066 0.000 1.032 480 M CB 0.376 33.041 32.600 0.108 0.000 1.513 480 M HN -0.267 nan 8.290 nan 0.000 0.488 481 S N 1.720 117.413 115.700 -0.010 0.000 2.423 481 S HA 0.276 4.746 4.470 0.000 0.000 0.317 481 S C -1.689 172.888 174.600 -0.039 0.000 1.065 481 S CA -1.010 57.160 58.200 -0.050 0.000 1.111 481 S CB 1.380 64.529 63.200 -0.084 0.000 0.968 481 S HN 0.066 nan 8.310 nan 0.000 0.474 482 P HA 0.019 nan 4.420 nan 0.000 0.222 482 P C -0.318 176.958 177.300 -0.040 0.000 1.147 482 P CA 0.868 63.945 63.100 -0.038 0.000 0.790 482 P CB 0.146 31.821 31.700 -0.042 0.000 0.780 483 L N -0.215 120.972 121.223 -0.059 0.000 2.334 483 L HA 0.379 4.719 4.340 0.000 0.000 0.273 483 L C 0.482 177.329 176.870 -0.038 0.000 1.013 483 L CA -1.355 53.456 54.840 -0.048 0.000 0.816 483 L CB 1.075 43.090 42.059 -0.074 0.000 1.278 483 L HN -0.122 nan 8.230 nan 0.000 0.431 484 D N 1.415 121.813 120.400 -0.003 0.000 2.411 484 D HA 0.187 4.828 4.640 0.000 0.000 0.251 484 D C -2.176 174.155 176.300 0.051 0.000 1.201 484 D CA -2.030 51.982 54.000 0.020 0.000 0.996 484 D CB 0.252 41.073 40.800 0.035 0.000 1.101 484 D HN 0.163 nan 8.370 nan 0.000 0.504 485 P HA -0.050 nan 4.420 nan 0.000 0.228 485 P C 0.154 177.664 177.300 0.351 0.000 1.151 485 P CA 0.970 64.202 63.100 0.220 0.000 0.770 485 P CB 0.080 31.915 31.700 0.225 0.000 0.786 486 E N -0.435 119.891 120.200 0.210 0.000 2.419 486 E HA 0.199 4.549 4.350 0.000 0.000 0.190 486 E C 0.430 177.135 176.600 0.176 0.000 1.040 486 E CA -0.107 56.412 56.400 0.197 0.000 0.900 486 E CB -0.099 29.667 29.700 0.110 0.000 1.054 486 E HN 0.159 nan 8.360 nan 0.000 0.462 487 L N -0.028 121.289 121.223 0.156 0.000 4.759 487 L HA -0.268 4.072 4.340 0.000 0.000 0.419 487 L C 0.171 177.074 176.870 0.054 0.000 1.093 487 L CA 0.659 55.549 54.840 0.084 0.000 1.037 487 L CB -1.498 40.634 42.059 0.122 0.000 2.095 487 L HN 0.215 nan 8.230 nan 0.000 0.739 488 R N 0.538 121.073 120.500 0.059 0.000 2.340 488 R HA 0.438 4.778 4.340 0.000 0.000 0.300 488 R C 0.202 176.522 176.300 0.034 0.000 1.069 488 R CA -0.593 55.538 56.100 0.052 0.000 0.984 488 R CB 1.281 31.615 30.300 0.057 0.000 1.003 488 R HN -0.078 nan 8.270 nan 0.000 0.459 489 V N 4.797 124.734 119.914 0.039 0.000 2.493 489 V HA -0.049 4.071 4.120 0.000 0.000 0.292 489 V C 0.659 176.764 176.094 0.019 0.000 1.016 489 V CA 0.356 62.672 62.300 0.027 0.000 1.097 489 V CB 0.010 31.863 31.823 0.050 0.000 0.947 489 V HN 0.624 nan 8.190 nan 0.000 0.479 490 K N 3.813 124.214 120.400 0.000 0.000 2.401 490 K HA 0.411 4.731 4.320 0.000 0.000 0.278 490 K C 1.244 177.830 176.600 -0.022 0.000 1.018 490 K CA 0.757 57.040 56.287 -0.007 0.000 0.981 490 K CB 0.521 33.013 32.500 -0.013 0.000 0.933 490 K HN 1.041 nan 8.250 nan 0.000 0.477 491 G N 0.605 109.391 108.800 -0.023 0.000 2.194 491 G HA2 -0.216 3.744 3.960 0.000 0.000 0.236 491 G HA3 -0.216 3.744 3.960 0.000 0.000 0.236 491 G C -0.182 174.680 174.900 -0.063 0.000 0.987 491 G CA -0.140 44.931 45.100 -0.047 0.000 0.635 491 G HN 0.472 nan 8.290 nan 0.000 0.520 492 V N 0.072 119.969 119.914 -0.029 0.000 3.130 492 V HA 0.848 4.968 4.120 0.000 0.000 0.310 492 V C -0.035 176.100 176.094 0.068 0.000 1.158 492 V CA 0.113 62.416 62.300 0.004 0.000 1.029 492 V CB 2.366 34.177 31.823 -0.019 0.000 1.057 492 V HN 0.316 nan 8.190 nan 0.000 0.436 493 T N 1.145 115.764 114.554 0.107 0.000 2.912 493 T HA 0.626 4.976 4.350 0.000 0.000 0.288 493 T C 0.575 175.344 174.700 0.114 0.000 1.030 493 T CA 0.443 62.598 62.100 0.092 0.000 1.020 493 T CB 1.435 70.343 68.868 0.067 0.000 1.056 493 T HN 1.669 nan 8.240 nan 0.000 0.480 494 G N 0.729 109.580 108.800 0.086 0.000 2.136 494 G HA2 -0.148 3.812 3.960 0.000 0.000 0.242 494 G HA3 -0.148 3.812 3.960 0.000 0.000 0.242 494 G C -0.373 174.572 174.900 0.075 0.000 0.989 494 G CA 0.174 45.316 45.100 0.070 0.000 0.682 494 G HN 0.717 nan 8.290 nan 0.000 0.522 495 L N 0.499 121.780 121.223 0.097 0.000 2.439 495 L HA 0.826 5.166 4.340 0.000 0.000 0.270 495 L C -0.065 176.854 176.870 0.081 0.000 0.972 495 L CA -1.105 53.790 54.840 0.092 0.000 0.836 495 L CB 1.221 43.369 42.059 0.148 0.000 1.255 495 L HN 0.228 nan 8.230 nan 0.000 0.404 496 R N 3.450 123.990 120.500 0.067 0.000 2.892 496 R HA 0.852 5.192 4.340 0.000 0.000 0.265 496 R C -1.461 174.858 176.300 0.031 0.000 1.025 496 R CA -1.129 55.003 56.100 0.053 0.000 0.982 496 R CB 2.284 32.620 30.300 0.060 0.000 1.185 496 R HN 0.383 nan 8.270 nan 0.000 0.484 497 V N 0.749 120.670 119.914 0.013 0.000 2.540 497 V HA 0.639 4.759 4.120 0.000 0.000 0.302 497 V C -0.712 175.372 176.094 -0.016 0.000 1.035 497 V CA -0.692 61.600 62.300 -0.013 0.000 0.873 497 V CB 1.642 33.442 31.823 -0.038 0.000 0.992 497 V HN 0.927 nan 8.190 nan 0.000 0.428 498 A N 4.353 127.162 122.820 -0.017 0.000 2.522 498 A HA 0.859 5.179 4.320 0.000 0.000 0.285 498 A C -0.871 176.696 177.584 -0.028 0.000 1.198 498 A CA -0.399 51.632 52.037 -0.011 0.000 0.742 498 A CB 0.680 19.688 19.000 0.013 0.000 1.176 498 A HN 1.001 nan 8.150 nan 0.000 0.444 499 D N 0.356 120.728 120.400 -0.047 0.000 3.024 499 D HA 0.358 4.998 4.640 0.000 0.000 0.354 499 D C 0.709 176.964 176.300 -0.075 0.000 1.431 499 D CA 0.132 54.104 54.000 -0.046 0.000 0.842 499 D CB 0.306 41.078 40.800 -0.046 0.000 1.437 499 D HN 0.585 nan 8.370 nan 0.000 0.507 500 A N -0.220 122.558 122.820 -0.070 0.000 2.125 500 A HA -0.017 4.303 4.320 0.000 0.000 0.219 500 A C 1.851 179.329 177.584 -0.177 0.000 1.156 500 A CA 1.934 53.908 52.037 -0.104 0.000 0.671 500 A CB -1.046 17.908 19.000 -0.076 0.000 0.794 500 A HN 0.435 nan 8.150 nan 0.000 0.459 501 S N -0.238 115.363 115.700 -0.165 0.000 2.402 501 S HA -0.194 4.276 4.470 0.000 0.000 0.233 501 S C 1.899 176.349 174.600 -0.249 0.000 1.030 501 S CA 1.681 59.767 58.200 -0.191 0.000 1.003 501 S CB -0.725 62.384 63.200 -0.152 0.000 0.813 501 S HN 0.976 nan 8.310 nan 0.000 0.477 502 V N -0.818 118.925 119.914 -0.285 0.000 3.041 502 V HA 0.153 4.273 4.120 0.000 0.000 0.260 502 V C 0.774 176.508 176.094 -0.600 0.000 1.105 502 V CA 0.406 62.471 62.300 -0.392 0.000 1.125 502 V CB -0.943 30.639 31.823 -0.402 0.000 0.730 502 V HN 0.378 nan 8.190 nan 0.000 0.479 503 M N 1.984 121.216 119.600 -0.614 0.000 2.303 503 M HA 0.163 4.643 4.480 0.000 0.000 0.350 503 M C -1.262 174.543 176.300 -0.825 0.000 1.518 503 M CA -0.827 53.936 55.300 -0.895 0.000 1.070 503 M CB 0.647 32.928 32.600 -0.532 0.000 1.910 503 M HN 0.103 nan 8.290 nan 0.000 0.458 504 P HA -0.041 nan 4.420 nan 0.000 0.222 504 P C -0.150 176.640 177.300 -0.849 0.000 1.153 504 P CA 1.283 63.867 63.100 -0.861 0.000 0.798 504 P CB 0.281 31.474 31.700 -0.845 0.000 0.796 505 E N -1.642 118.134 120.200 -0.706 0.000 2.343 505 E HA 0.254 4.604 4.350 0.000 0.000 0.278 505 E C -0.893 175.726 176.600 0.033 0.000 0.910 505 E CA -0.898 55.291 56.400 -0.351 0.000 0.757 505 E CB 0.526 30.005 29.700 -0.370 0.000 1.218 505 E HN -0.104 nan 8.360 nan 0.000 0.435 506 H N 1.793 120.859 119.070 -0.006 0.000 2.836 506 H HA 0.222 4.778 4.556 0.000 0.000 0.368 506 H C 0.043 175.468 175.328 0.162 0.000 1.164 506 H CA 0.653 56.707 56.048 0.009 0.000 1.425 506 H CB 0.646 30.309 29.762 -0.164 0.000 1.414 506 H HN 0.400 nan 8.280 nan 0.000 0.614 507 V N 1.350 121.583 119.914 0.533 0.000 2.997 507 V HA 0.205 4.325 4.120 0.000 0.000 0.311 507 V C 1.182 177.324 176.094 0.081 0.000 1.066 507 V CA -0.385 62.111 62.300 0.326 0.000 1.039 507 V CB 1.042 33.045 31.823 0.299 0.000 1.081 507 V HN 0.821 nan 8.190 nan 0.000 0.467 508 T N 1.454 116.032 114.554 0.039 0.000 2.951 508 T HA 0.043 4.393 4.350 0.000 0.000 0.268 508 T C 0.712 175.311 174.700 -0.167 0.000 1.073 508 T CA 1.541 63.593 62.100 -0.081 0.000 1.134 508 T CB -0.283 68.629 68.868 0.072 0.000 0.884 508 T HN 0.987 nan 8.240 nan 0.000 0.479 509 V N -0.645 119.192 119.914 -0.128 0.000 3.234 509 V HA 0.605 4.725 4.120 0.000 0.000 0.317 509 V C -0.735 175.326 176.094 -0.054 0.000 1.147 509 V CA -1.820 60.333 62.300 -0.246 0.000 1.037 509 V CB 0.818 32.313 31.823 -0.547 0.000 1.148 509 V HN -0.049 nan 8.190 nan 0.000 0.455 510 N N 2.505 121.200 118.700 -0.008 0.000 2.447 510 N HA 0.240 4.980 4.740 0.000 0.000 0.263 510 N C -1.897 173.600 175.510 -0.022 0.000 1.226 510 N CA -0.804 52.242 53.050 -0.007 0.000 0.906 510 N CB 0.397 38.993 38.487 0.182 0.000 1.060 510 N HN 0.638 nan 8.380 nan 0.000 0.468 511 P HA 0.007 nan 4.420 nan 0.000 0.251 511 P C 0.533 177.868 177.300 0.060 0.000 1.223 511 P CA 0.365 63.480 63.100 0.025 0.000 0.796 511 P CB 0.421 32.153 31.700 0.055 0.000 1.068 512 N N 1.131 119.847 118.700 0.027 0.000 2.036 512 N HA -0.151 4.589 4.740 0.000 0.000 0.195 512 N C 1.671 177.237 175.510 0.094 0.000 1.037 512 N CA 1.450 54.533 53.050 0.055 0.000 0.855 512 N CB -0.690 37.818 38.487 0.034 0.000 1.033 512 N HN -0.060 nan 8.380 nan 0.000 0.423 513 I N 0.277 120.916 120.570 0.115 0.000 2.394 513 I HA -0.161 4.009 4.170 0.000 0.000 0.251 513 I C 1.824 178.088 176.117 0.245 0.000 1.136 513 I CA 1.102 62.492 61.300 0.150 0.000 1.425 513 I CB -1.627 36.438 38.000 0.109 0.000 1.079 513 I HN 0.196 nan 8.210 nan 0.000 0.425 514 T N 1.099 115.818 114.554 0.275 0.000 2.788 514 T HA -0.077 4.273 4.350 0.000 0.000 0.268 514 T C 2.191 177.002 174.700 0.185 0.000 1.044 514 T CA 1.028 63.306 62.100 0.296 0.000 1.139 514 T CB -0.217 68.829 68.868 0.296 0.000 0.867 514 T HN 0.116 nan 8.240 nan 0.000 0.454 515 V N 1.562 121.563 119.914 0.145 0.000 2.358 515 V HA -0.142 3.978 4.120 0.000 0.000 0.246 515 V C 2.452 178.590 176.094 0.073 0.000 1.047 515 V CA 1.490 63.848 62.300 0.097 0.000 1.035 515 V CB -0.610 31.251 31.823 0.063 0.000 0.658 515 V HN 0.501 nan 8.190 nan 0.000 0.452 516 M N -1.043 118.606 119.600 0.081 0.000 2.108 516 M HA -0.227 4.253 4.480 0.000 0.000 0.261 516 M C 2.335 178.656 176.300 0.033 0.000 1.066 516 M CA 1.862 57.202 55.300 0.066 0.000 1.107 516 M CB -0.502 32.184 32.600 0.142 0.000 1.356 516 M HN 0.326 nan 8.290 nan 0.000 0.406 517 M N 0.949 120.560 119.600 0.019 0.000 2.117 517 M HA -0.181 4.299 4.480 0.000 0.000 0.262 517 M C 1.963 178.267 176.300 0.006 0.000 1.065 517 M CA 1.911 57.147 55.300 -0.107 0.000 1.114 517 M CB -0.618 31.743 32.600 -0.399 0.000 1.361 517 M HN 0.254 nan 8.290 nan 0.000 0.408 518 I N 0.112 120.758 120.570 0.127 0.000 2.208 518 I HA -0.245 3.925 4.170 0.000 0.000 0.245 518 I C 2.527 178.738 176.117 0.155 0.000 1.097 518 I CA 1.426 62.883 61.300 0.262 0.000 1.363 518 I CB -1.000 37.120 38.000 0.199 0.000 1.051 518 I HN 0.421 nan 8.210 nan 0.000 0.413 519 G N 0.132 108.955 108.800 0.038 0.000 2.421 519 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 519 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 519 G C 1.531 176.389 174.900 -0.070 0.000 1.171 519 G CA 0.451 45.526 45.100 -0.042 0.000 0.775 519 G HN 0.304 nan 8.290 nan 0.000 0.543 520 E N 0.339 120.495 120.200 -0.072 0.000 2.058 520 E HA -0.172 4.178 4.350 0.000 0.000 0.194 520 E C 2.518 179.071 176.600 -0.078 0.000 0.997 520 E CA 1.128 57.482 56.400 -0.076 0.000 0.801 520 E CB -0.184 29.479 29.700 -0.061 0.000 0.746 520 E HN 0.388 nan 8.360 nan 0.000 0.450 521 R N 0.712 121.172 120.500 -0.066 0.000 2.075 521 R HA -0.089 4.252 4.340 0.000 0.000 0.232 521 R C 2.543 178.804 176.300 -0.065 0.000 1.126 521 R CA 1.463 57.483 56.100 -0.132 0.000 0.963 521 R CB -0.928 29.206 30.300 -0.277 0.000 0.858 521 R HN 0.227 nan 8.270 nan 0.000 0.435 522 C N 0.134 119.459 119.300 0.042 0.000 2.413 522 C HA -0.069 4.391 4.460 0.000 0.000 0.276 522 C C 2.780 177.746 174.990 -0.040 0.000 1.236 522 C CA 1.151 60.193 59.018 0.041 0.000 1.735 522 C CB -1.288 26.485 27.740 0.055 0.000 2.031 522 C HN 0.680 nan 8.230 nan 0.000 0.474 523 A N 0.231 123.004 122.820 -0.077 0.000 1.892 523 A HA -0.238 4.082 4.320 0.000 0.000 0.218 523 A C 1.849 179.370 177.584 -0.105 0.000 1.188 523 A CA 2.529 54.496 52.037 -0.118 0.000 0.631 523 A CB -0.878 18.050 19.000 -0.120 0.000 0.822 523 A HN 0.652 nan 8.150 nan 0.000 0.447 524 D N -0.227 120.118 120.400 -0.091 0.000 2.117 524 D HA -0.086 4.554 4.640 0.000 0.000 0.197 524 D C 1.918 178.171 176.300 -0.077 0.000 0.987 524 D CA 0.948 54.896 54.000 -0.087 0.000 0.829 524 D CB -0.335 40.402 40.800 -0.105 0.000 0.961 524 D HN 0.452 nan 8.370 nan 0.000 0.460 525 L N 0.209 121.388 121.223 -0.073 0.000 2.083 525 L HA -0.134 4.206 4.340 0.000 0.000 0.209 525 L C 2.383 179.240 176.870 -0.021 0.000 1.083 525 L CA 0.716 55.530 54.840 -0.044 0.000 0.752 525 L CB -0.236 41.817 42.059 -0.009 0.000 0.899 525 L HN 0.052 nan 8.230 nan 0.000 0.433 526 I N -0.812 119.736 120.570 -0.036 0.000 2.233 526 I HA -0.175 3.995 4.170 0.000 0.000 0.243 526 I C 1.778 177.877 176.117 -0.031 0.000 1.093 526 I CA 0.820 62.099 61.300 -0.035 0.000 1.380 526 I CB -0.143 37.779 38.000 -0.130 0.000 1.067 526 I HN 0.312 nan 8.210 nan 0.000 0.413 527 R N 0.000 120.463 120.500 -0.061 0.000 2.786 527 R HA 0.000 4.340 4.340 0.000 0.000 0.208 527 R CA 0.000 56.076 56.100 -0.040 0.000 0.921 527 R CB 0.000 30.261 30.300 -0.066 0.000 0.687 527 R HN 0.000 nan 8.270 nan 0.000 0.535