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 2e4u_1_A DATA FIRST_RESID 30 DATA SEQUENCE RREIKIEGDL VLGGLFPINE KGTGTEEcGR INEDRGIQRL EAMLFAIDEI DATA SEQUENCE NKDNYLLPGV KLGVHILDTc SRDTYALEQS LEFVRASLXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXIP LLIAGVIGGS YSSVSIQVAN LLRLFQIPQI SYASTSAKLS DATA SEQUENCE DKSRYDYFAR TVPPDFYQAK AMAEILRFFN WTYVSTVASE GDYGETGIEA DATA SEQUENCE FEQEARLRNI cIATAEKVGR SNIRKSYDSV IRELLQKPNA RVVVLFMRSD DATA SEQUENCE DSRELIAAAN RVNASFTWVA SDGWGAQESI VKGSEHVAYG AITLELASHP DATA SEQUENCE VRQFDRYFQS LNPYNNHRNP WFRDFWEQKF QcSLQXXXXX XQVcDKHLAI DATA SEQUENCE DSSNYEQESK IMFVVNAVYA MAHALHKMQR TLcPQTTKLc DAMKILDGKK DATA SEQUENCE LYKEYLLKIQ FTAPFNPNKG ADSIVKFDTF GDGMGRYNVF NLQQTGGKYS DATA SEQUENCE YLKVGHWAET LSLDVDSIHW SRNSVPTSQc SDPcAPNEMK NMQPGDVccW DATA SEQUENCE IcIPcEPYEY LVDEFTcMDc GPGQWPTADL SGcYNLPE 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 30 R HA 0.000 nan 4.340 nan 0.000 0.208 30 R C 0.000 176.330 176.300 0.050 0.000 0.893 30 R CA 0.000 56.153 56.100 0.089 0.000 0.921 30 R CB 0.000 30.329 30.300 0.048 0.000 0.687 31 R N 0.849 121.383 120.500 0.056 0.000 2.500 31 R HA 0.559 4.898 4.340 -0.001 0.000 0.277 31 R C -0.466 175.818 176.300 -0.027 0.000 1.026 31 R CA -0.295 55.710 56.100 -0.158 0.000 1.058 31 R CB 1.323 31.290 30.300 -0.555 0.000 1.078 31 R HN 0.520 nan 8.270 nan 0.000 0.509 32 E N 1.243 121.353 120.200 -0.151 0.000 2.422 32 E HA 0.300 4.649 4.350 -0.001 0.000 0.280 32 E C -1.290 175.378 176.600 0.113 0.000 1.091 32 E CA -0.808 55.698 56.400 0.178 0.000 0.849 32 E CB 0.981 30.865 29.700 0.306 0.000 1.353 32 E HN 0.323 nan 8.360 nan 0.000 0.449 33 I N 1.086 121.847 120.570 0.318 0.000 2.382 33 I HA 0.365 4.534 4.170 -0.001 0.000 0.286 33 I C -0.675 175.575 176.117 0.221 0.000 1.002 33 I CA -0.785 60.656 61.300 0.234 0.000 1.135 33 I CB 1.474 39.654 38.000 0.300 0.000 1.288 33 I HN 0.325 nan 8.210 nan 0.000 0.448 34 K N 7.290 127.740 120.400 0.082 0.000 2.507 34 K HA 0.560 4.879 4.320 -0.001 0.000 0.253 34 K C -1.197 175.405 176.600 0.002 0.000 0.969 34 K CA -0.626 55.651 56.287 -0.016 0.000 0.908 34 K CB 1.735 34.151 32.500 -0.140 0.000 1.127 34 K HN 0.395 nan 8.250 nan 0.000 0.437 35 I N 2.977 123.563 120.570 0.026 0.000 2.418 35 I HA 0.243 4.412 4.170 -0.001 0.000 0.287 35 I C 0.530 176.653 176.117 0.009 0.000 1.008 35 I CA -0.709 60.604 61.300 0.021 0.000 1.104 35 I CB 1.443 39.467 38.000 0.040 0.000 1.264 35 I HN 0.517 nan 8.210 nan 0.000 0.438 36 E N 3.584 123.781 120.200 -0.004 0.000 2.392 36 E HA 0.574 4.923 4.350 -0.001 0.000 0.259 36 E C 0.263 176.862 176.600 -0.003 0.000 1.108 36 E CA -0.126 56.270 56.400 -0.007 0.000 0.916 36 E CB 1.500 31.193 29.700 -0.012 0.000 0.989 36 E HN 0.863 nan 8.360 nan 0.000 0.432 37 G N 0.643 109.441 108.800 -0.004 0.000 2.523 37 G HA2 0.018 3.978 3.960 -0.001 0.000 0.291 37 G HA3 0.018 3.978 3.960 -0.001 0.000 0.291 37 G C -0.285 174.611 174.900 -0.007 0.000 1.450 37 G CA -0.593 44.503 45.100 -0.007 0.000 0.790 37 G HN 0.423 nan 8.290 nan 0.000 0.496 38 D N -1.136 119.259 120.400 -0.009 0.000 2.218 38 D HA -0.033 4.607 4.640 -0.001 0.000 0.204 38 D C 0.350 176.646 176.300 -0.006 0.000 0.976 38 D CA 1.235 55.231 54.000 -0.007 0.000 0.853 38 D CB 0.364 41.159 40.800 -0.009 0.000 0.939 38 D HN -0.000 nan 8.370 nan 0.000 0.481 39 L N 0.215 121.433 121.223 -0.009 0.000 2.422 39 L HA 0.311 4.651 4.340 -0.001 0.000 0.264 39 L C -0.868 175.995 176.870 -0.011 0.000 0.984 39 L CA -0.959 53.875 54.840 -0.010 0.000 0.819 39 L CB 2.574 44.624 42.059 -0.014 0.000 1.330 39 L HN -0.355 nan 8.230 nan 0.000 0.410 40 V N 4.296 124.204 119.914 -0.009 0.000 2.555 40 V HA 0.549 4.669 4.120 -0.001 0.000 0.302 40 V C -0.354 175.722 176.094 -0.030 0.000 1.038 40 V CA -0.714 61.584 62.300 -0.004 0.000 0.887 40 V CB 2.027 33.863 31.823 0.021 0.000 0.991 40 V HN 0.479 nan 8.190 nan 0.000 0.434 41 L N 3.744 124.951 121.223 -0.027 0.000 2.296 41 L HA 0.676 5.016 4.340 -0.001 0.000 0.286 41 L C 0.847 177.663 176.870 -0.090 0.000 1.023 41 L CA -0.356 54.443 54.840 -0.068 0.000 0.812 41 L CB 1.636 43.674 42.059 -0.036 0.000 1.223 41 L HN 0.803 nan 8.230 nan 0.000 0.421 42 G N 1.469 110.088 108.800 -0.303 0.000 2.476 42 G HA2 0.579 4.538 3.960 -0.001 0.000 0.269 42 G HA3 0.579 4.538 3.960 -0.001 0.000 0.269 42 G C -0.281 174.493 174.900 -0.210 0.000 1.195 42 G CA -0.211 44.559 45.100 -0.549 0.000 0.843 42 G HN 0.731 nan 8.290 nan 0.000 0.545 43 G N -0.613 108.239 108.800 0.087 0.000 2.667 43 G HA2 0.590 4.549 3.960 -0.001 0.000 0.298 43 G HA3 0.590 4.549 3.960 -0.001 0.000 0.298 43 G C -1.266 173.789 174.900 0.258 0.000 1.377 43 G CA -0.679 44.551 45.100 0.217 0.000 0.964 43 G HN 0.635 nan 8.290 nan 0.000 0.493 44 L N 0.940 122.100 121.223 -0.105 0.000 2.409 44 L HA 0.667 5.007 4.340 -0.001 0.000 0.272 44 L C -1.321 175.281 176.870 -0.447 0.000 0.980 44 L CA -0.602 54.199 54.840 -0.064 0.000 0.826 44 L CB 2.028 44.103 42.059 0.026 0.000 1.268 44 L HN 0.436 nan 8.230 nan 0.000 0.407 45 F N 2.673 122.705 119.950 0.136 0.000 2.601 45 F HA 0.432 4.959 4.527 -0.000 0.000 0.309 45 F C -2.202 173.616 175.800 0.030 0.000 1.089 45 F CA -1.818 56.247 58.000 0.109 0.000 0.940 45 F CB 2.105 41.110 39.000 0.010 0.000 1.273 45 F HN 0.240 nan 8.300 nan 0.000 0.450 46 P HA 0.113 nan 4.420 nan 0.000 0.225 46 P C 0.808 178.137 177.300 0.048 0.000 1.813 46 P CA 0.074 63.262 63.100 0.147 0.000 1.013 46 P CB -0.156 31.681 31.700 0.229 0.000 1.961 47 I N -0.463 120.064 120.570 -0.072 0.000 2.264 47 I HA -0.141 4.029 4.170 -0.001 0.000 0.248 47 I C 1.128 177.159 176.117 -0.142 0.000 1.111 47 I CA 1.225 62.379 61.300 -0.243 0.000 1.382 47 I CB -1.043 36.505 38.000 -0.752 0.000 1.060 47 I HN 0.268 nan 8.210 nan 0.000 0.418 48 N N 0.551 119.192 118.700 -0.099 0.000 2.362 48 N HA 0.211 4.951 4.740 -0.001 0.000 0.299 48 N C -0.155 175.337 175.510 -0.030 0.000 1.170 48 N CA -0.504 52.520 53.050 -0.043 0.000 0.825 48 N CB 2.216 40.684 38.487 -0.032 0.000 1.299 48 N HN -0.037 nan 8.380 nan 0.000 0.502 49 E N 0.766 120.951 120.200 -0.025 0.000 2.391 49 E HA 0.052 4.402 4.350 -0.001 0.000 0.255 49 E C -0.216 176.340 176.600 -0.074 0.000 1.187 49 E CA -0.241 56.141 56.400 -0.031 0.000 0.941 49 E CB 0.642 30.321 29.700 -0.034 0.000 1.010 49 E HN 0.286 nan 8.360 nan 0.000 0.458 50 K N 0.561 120.905 120.400 -0.093 0.000 2.401 50 K HA 0.189 4.508 4.320 -0.001 0.000 0.278 50 K C -0.012 176.528 176.600 -0.100 0.000 1.018 50 K CA 0.066 56.281 56.287 -0.120 0.000 0.981 50 K CB 0.319 32.741 32.500 -0.129 0.000 0.933 50 K HN 0.575 nan 8.250 nan 0.000 0.477 51 G N 2.105 110.838 108.800 -0.112 0.000 2.483 51 G HA2 0.104 4.064 3.960 -0.001 0.000 0.248 51 G HA3 0.104 4.064 3.960 -0.001 0.000 0.248 51 G C -0.389 174.474 174.900 -0.061 0.000 1.248 51 G CA -0.526 44.525 45.100 -0.082 0.000 0.838 51 G HN 0.711 nan 8.290 nan 0.000 0.566 52 T N -0.243 114.283 114.554 -0.047 0.000 2.771 52 T HA 0.601 4.951 4.350 -0.001 0.000 0.291 52 T C 1.226 175.910 174.700 -0.026 0.000 0.954 52 T CA 0.468 62.545 62.100 -0.037 0.000 1.045 52 T CB 1.230 70.076 68.868 -0.037 0.000 0.917 52 T HN 2.141 nan 8.240 nan 0.000 0.484 53 G N 3.634 112.422 108.800 -0.020 0.000 2.557 53 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.292 53 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.292 53 G C 1.151 176.045 174.900 -0.010 0.000 1.162 53 G CA 1.181 46.273 45.100 -0.012 0.000 0.964 53 G HN 1.714 nan 8.290 nan 0.000 0.541 54 T N 0.513 115.063 114.554 -0.006 0.000 3.043 54 T HA 0.273 4.622 4.350 -0.001 0.000 0.263 54 T C 1.046 175.745 174.700 -0.001 0.000 1.094 54 T CA 1.492 63.592 62.100 -0.000 0.000 1.127 54 T CB -0.316 68.554 68.868 0.004 0.000 0.905 54 T HN 1.108 nan 8.240 nan 0.000 0.490 55 E N 1.217 121.411 120.200 -0.010 0.000 2.354 55 E HA 0.219 4.569 4.350 -0.001 0.000 0.269 55 E C 0.169 176.746 176.600 -0.039 0.000 1.036 55 E CA -0.510 55.881 56.400 -0.015 0.000 0.876 55 E CB 1.015 30.704 29.700 -0.018 0.000 1.009 55 E HN 0.367 nan 8.360 nan 0.000 0.416 56 E N 1.204 121.372 120.200 -0.054 0.000 2.318 56 E HA 0.051 4.401 4.350 -0.001 0.000 0.193 56 E C -0.242 176.208 176.600 -0.251 0.000 0.998 56 E CA 0.299 56.619 56.400 -0.135 0.000 0.859 56 E CB 0.360 29.992 29.700 -0.115 0.000 0.812 56 E HN 0.479 nan 8.360 nan 0.000 0.492 57 c N -0.353 118.141 118.600 -0.177 0.000 2.712 57 c HA 0.702 5.272 4.570 -0.001 0.000 0.308 57 c C 0.852 174.899 174.090 -0.072 0.000 1.201 57 c CA -0.993 55.239 56.329 -0.162 0.000 1.554 57 c CB 1.277 43.697 42.510 -0.149 0.000 2.117 57 c HN 0.404 nan 8.230 nan 0.000 0.480 58 G N 1.093 109.858 108.800 -0.058 0.000 3.414 58 G HA2 0.504 4.464 3.960 -0.001 0.000 0.189 58 G HA3 0.504 4.464 3.960 -0.001 0.000 0.189 58 G C -0.364 174.532 174.900 -0.007 0.000 1.329 58 G CA -0.574 44.508 45.100 -0.032 0.000 0.851 58 G HN 0.741 nan 8.290 nan 0.000 0.671 59 R N -0.447 120.046 120.500 -0.012 0.000 2.774 59 R HA 0.257 4.596 4.340 -0.001 0.000 0.269 59 R C 0.031 176.343 176.300 0.020 0.000 1.068 59 R CA -0.422 55.680 56.100 0.002 0.000 1.180 59 R CB 0.470 30.759 30.300 -0.018 0.000 1.077 59 R HN 0.186 nan 8.270 nan 0.000 0.513 60 I N 1.920 122.518 120.570 0.046 0.000 2.575 60 I HA -0.055 4.114 4.170 -0.001 0.000 0.285 60 I C 0.416 176.570 176.117 0.062 0.000 1.085 60 I CA -0.059 61.288 61.300 0.079 0.000 1.403 60 I CB 0.572 38.667 38.000 0.159 0.000 1.409 60 I HN 0.520 nan 8.210 nan 0.000 0.557 61 N N 5.537 124.269 118.700 0.053 0.000 2.678 61 N HA 0.114 4.853 4.740 -0.001 0.000 0.231 61 N C 0.824 176.379 175.510 0.076 0.000 1.038 61 N CA -0.176 52.899 53.050 0.043 0.000 0.932 61 N CB 0.541 39.045 38.487 0.028 0.000 1.176 61 N HN 0.441 nan 8.380 nan 0.000 0.511 62 E N 1.629 121.910 120.200 0.134 0.000 2.023 62 E HA -0.193 4.157 4.350 -0.001 0.000 0.196 62 E C 0.200 176.878 176.600 0.130 0.000 1.003 62 E CA 1.563 58.119 56.400 0.260 0.000 0.809 62 E CB 0.166 30.067 29.700 0.333 0.000 0.755 62 E HN 0.569 nan 8.360 nan 0.000 0.449 63 D N -0.056 120.385 120.400 0.069 0.000 2.106 63 D HA -0.017 4.623 4.640 -0.001 0.000 0.203 63 D C 1.901 178.174 176.300 -0.044 0.000 0.977 63 D CA 0.847 54.848 54.000 0.002 0.000 0.844 63 D CB -0.029 40.763 40.800 -0.014 0.000 1.002 63 D HN -0.027 nan 8.370 nan 0.000 0.461 64 R N -0.015 120.467 120.500 -0.030 0.000 2.276 64 R HA 0.148 4.488 4.340 -0.001 0.000 0.203 64 R C 1.718 178.024 176.300 0.010 0.000 1.017 64 R CA 0.764 56.849 56.100 -0.024 0.000 1.010 64 R CB 0.202 30.480 30.300 -0.037 0.000 0.900 64 R HN 0.157 nan 8.270 nan 0.000 0.469 65 G N 0.794 109.590 108.800 -0.007 0.000 2.765 65 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.218 65 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.218 65 G C 1.251 176.084 174.900 -0.112 0.000 1.271 65 G CA -0.286 44.804 45.100 -0.017 0.000 0.865 65 G HN -0.069 nan 8.290 nan 0.000 0.604 66 I N 1.212 121.715 120.570 -0.112 0.000 2.127 66 I HA -0.180 3.990 4.170 -0.001 0.000 0.241 66 I C 2.836 178.876 176.117 -0.127 0.000 1.075 66 I CA 1.362 62.567 61.300 -0.158 0.000 1.334 66 I CB -1.161 36.611 38.000 -0.380 0.000 1.040 66 I HN 0.302 nan 8.210 nan 0.000 0.405 67 Q N 0.180 119.878 119.800 -0.170 0.000 2.061 67 Q HA -0.212 4.128 4.340 -0.001 0.000 0.204 67 Q C 2.422 178.285 176.000 -0.228 0.000 0.984 67 Q CA 1.626 57.263 55.803 -0.277 0.000 0.846 67 Q CB -0.081 28.452 28.738 -0.341 0.000 0.902 67 Q HN 0.471 nan 8.270 nan 0.000 0.421 68 R N 0.270 120.609 120.500 -0.269 0.000 2.096 68 R HA -0.105 4.235 4.340 -0.001 0.000 0.235 68 R C 2.412 178.321 176.300 -0.652 0.000 1.127 68 R CA 0.876 56.763 56.100 -0.357 0.000 0.968 68 R CB -0.406 29.785 30.300 -0.181 0.000 0.861 68 R HN 0.314 nan 8.270 nan 0.000 0.440 69 L N 1.186 121.911 121.223 -0.830 0.000 1.994 69 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 69 L C 1.956 178.590 176.870 -0.394 0.000 1.071 69 L CA 1.657 55.842 54.840 -1.091 0.000 0.745 69 L CB -0.200 41.491 42.059 -0.614 0.000 0.892 69 L HN 0.186 nan 8.230 nan 0.000 0.431 70 E N 0.243 120.414 120.200 -0.049 0.000 2.153 70 E HA -0.188 4.161 4.350 -0.001 0.000 0.194 70 E C 2.109 178.928 176.600 0.365 0.000 0.988 70 E CA 1.158 57.735 56.400 0.296 0.000 0.811 70 E CB -0.179 29.878 29.700 0.596 0.000 0.746 70 E HN 0.630 nan 8.360 nan 0.000 0.466 71 A N 1.091 123.980 122.820 0.116 0.000 1.972 71 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 71 A C 2.189 179.816 177.584 0.071 0.000 1.169 71 A CA 1.582 53.577 52.037 -0.069 0.000 0.635 71 A CB -0.454 18.195 19.000 -0.584 0.000 0.810 71 A HN 0.274 nan 8.150 nan 0.000 0.446 72 M N -1.265 118.331 119.600 -0.007 0.000 2.200 72 M HA -0.040 4.439 4.480 -0.001 0.000 0.265 72 M C 1.664 178.005 176.300 0.070 0.000 1.066 72 M CA 1.305 56.652 55.300 0.079 0.000 1.127 72 M CB -0.109 32.589 32.600 0.163 0.000 1.379 72 M HN 0.293 nan 8.290 nan 0.000 0.420 73 L N 0.233 121.496 121.223 0.066 0.000 2.017 73 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 73 L C 2.266 179.120 176.870 -0.026 0.000 1.073 73 L CA 1.858 56.736 54.840 0.062 0.000 0.745 73 L CB -1.588 40.553 42.059 0.137 0.000 0.894 73 L HN 0.420 nan 8.230 nan 0.000 0.432 74 F N 0.538 120.322 119.950 -0.277 0.000 2.069 74 F HA -0.274 4.253 4.527 -0.001 0.000 0.298 74 F C 2.349 178.034 175.800 -0.192 0.000 1.113 74 F CA 1.690 59.371 58.000 -0.531 0.000 1.214 74 F CB -0.684 38.037 39.000 -0.466 0.000 0.978 74 F HN 0.059 nan 8.300 nan 0.000 0.474 75 A N 1.141 123.848 122.820 -0.188 0.000 1.883 75 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 75 A C 2.286 179.752 177.584 -0.197 0.000 1.186 75 A CA 1.959 53.919 52.037 -0.129 0.000 0.624 75 A CB -1.147 17.943 19.000 0.150 0.000 0.822 75 A HN 0.471 nan 8.150 nan 0.000 0.444 76 I N 0.383 120.871 120.570 -0.137 0.000 2.226 76 I HA -0.209 3.961 4.170 -0.001 0.000 0.245 76 I C 1.865 177.897 176.117 -0.142 0.000 1.100 76 I CA 1.681 62.903 61.300 -0.130 0.000 1.374 76 I CB -1.474 36.496 38.000 -0.050 0.000 1.057 76 I HN 0.299 nan 8.210 nan 0.000 0.413 77 D N 0.790 121.097 120.400 -0.154 0.000 2.084 77 D HA -0.165 4.475 4.640 -0.001 0.000 0.194 77 D C 2.128 178.342 176.300 -0.144 0.000 0.990 77 D CA 1.053 54.975 54.000 -0.129 0.000 0.826 77 D CB -0.131 40.597 40.800 -0.119 0.000 0.971 77 D HN 0.282 nan 8.370 nan 0.000 0.453 78 E N 0.592 120.651 120.200 -0.234 0.000 2.058 78 E HA -0.147 4.202 4.350 -0.001 0.000 0.194 78 E C 2.516 179.088 176.600 -0.048 0.000 0.997 78 E CA 0.460 56.795 56.400 -0.110 0.000 0.801 78 E CB -0.419 29.245 29.700 -0.061 0.000 0.746 78 E HN 0.409 nan 8.360 nan 0.000 0.450 79 I N 1.753 122.232 120.570 -0.152 0.000 2.335 79 I HA -0.256 3.913 4.170 -0.001 0.000 0.251 79 I C 1.719 177.751 176.117 -0.142 0.000 1.129 79 I CA 0.837 62.002 61.300 -0.226 0.000 1.402 79 I CB -0.300 37.452 38.000 -0.414 0.000 1.069 79 I HN 0.017 nan 8.210 nan 0.000 0.424 80 N N 0.919 119.551 118.700 -0.113 0.000 2.494 80 N HA -0.072 4.668 4.740 -0.001 0.000 0.182 80 N C 1.244 176.720 175.510 -0.056 0.000 1.076 80 N CA 0.862 53.865 53.050 -0.079 0.000 0.908 80 N CB 0.064 38.513 38.487 -0.063 0.000 0.967 80 N HN 0.430 nan 8.380 nan 0.000 0.449 81 K N -0.149 120.224 120.400 -0.045 0.000 2.358 81 K HA 0.080 4.399 4.320 -0.001 0.000 0.197 81 K C -0.207 176.380 176.600 -0.022 0.000 1.025 81 K CA -0.151 56.122 56.287 -0.023 0.000 1.104 81 K CB 0.709 33.210 32.500 0.002 0.000 0.855 81 K HN -0.047 nan 8.250 nan 0.000 0.531 82 D N 1.146 121.525 120.400 -0.035 0.000 2.347 82 D HA 0.079 4.718 4.640 -0.001 0.000 0.235 82 D C 0.223 176.458 176.300 -0.107 0.000 1.149 82 D CA -0.056 53.926 54.000 -0.030 0.000 0.850 82 D CB 0.705 41.504 40.800 -0.002 0.000 1.061 82 D HN -0.034 nan 8.370 nan 0.000 0.487 83 N N 2.824 121.403 118.700 -0.202 0.000 2.550 83 N HA -0.118 4.622 4.740 -0.001 0.000 0.186 83 N C 0.501 175.688 175.510 -0.538 0.000 1.110 83 N CA 0.561 53.378 53.050 -0.388 0.000 0.912 83 N CB 0.240 38.412 38.487 -0.525 0.000 0.968 83 N HN 0.584 nan 8.380 nan 0.000 0.448 84 Y N -0.314 119.952 120.300 -0.056 0.000 2.467 84 Y HA 0.290 4.840 4.550 -0.001 0.000 0.250 84 Y C 0.198 175.938 175.900 -0.267 0.000 1.155 84 Y CA -0.486 57.563 58.100 -0.086 0.000 1.249 84 Y CB 0.772 39.204 38.460 -0.046 0.000 1.146 84 Y HN -0.097 nan 8.280 nan 0.000 0.524 85 L N 0.516 121.611 121.223 -0.214 0.000 2.406 85 L HA 0.465 4.805 4.340 -0.001 0.000 0.270 85 L C -0.531 176.181 176.870 -0.263 0.000 0.982 85 L CA -1.139 53.415 54.840 -0.476 0.000 0.843 85 L CB 1.062 42.886 42.059 -0.391 0.000 1.225 85 L HN 0.071 nan 8.230 nan 0.000 0.412 86 L N 5.369 126.544 121.223 -0.080 0.000 3.597 86 L HA -0.123 4.217 4.340 -0.001 0.000 0.440 86 L C -2.103 174.774 176.870 0.011 0.000 1.277 86 L CA 0.649 55.542 54.840 0.089 0.000 0.852 86 L CB -1.768 40.279 42.059 -0.020 0.000 1.708 86 L HN 0.571 nan 8.230 nan 0.000 0.885 87 P HA 0.338 nan 4.420 nan 0.000 0.274 87 P C 1.209 178.503 177.300 -0.009 0.000 1.231 87 P CA 1.009 64.088 63.100 -0.035 0.000 0.790 87 P CB 1.156 32.819 31.700 -0.062 0.000 0.951 88 G N 0.757 109.543 108.800 -0.024 0.000 2.245 88 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.264 88 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.264 88 G C -0.081 174.812 174.900 -0.011 0.000 0.985 88 G CA 0.226 45.317 45.100 -0.015 0.000 0.625 88 G HN 0.573 nan 8.290 nan 0.000 0.536 89 V N 1.720 121.628 119.914 -0.009 0.000 2.305 89 V HA 0.410 4.529 4.120 -0.001 0.000 0.275 89 V C 0.455 176.535 176.094 -0.023 0.000 1.020 89 V CA -0.850 61.444 62.300 -0.010 0.000 0.811 89 V CB 1.535 33.358 31.823 0.000 0.000 1.031 89 V HN 0.374 nan 8.190 nan 0.000 0.439 90 K N 5.032 125.418 120.400 -0.024 0.000 2.322 90 K HA 0.436 4.756 4.320 -0.001 0.000 0.283 90 K C -0.723 175.859 176.600 -0.030 0.000 1.042 90 K CA -0.405 55.864 56.287 -0.030 0.000 0.958 90 K CB 0.669 33.154 32.500 -0.024 0.000 0.984 90 K HN 0.555 nan 8.250 nan 0.000 0.473 91 L N 3.813 125.011 121.223 -0.042 0.000 2.276 91 L HA 0.348 4.688 4.340 -0.001 0.000 0.286 91 L C 0.760 177.616 176.870 -0.023 0.000 1.061 91 L CA -0.496 54.320 54.840 -0.040 0.000 0.807 91 L CB 1.501 43.521 42.059 -0.065 0.000 1.177 91 L HN 0.837 nan 8.230 nan 0.000 0.429 92 G N 2.258 111.053 108.800 -0.008 0.000 2.820 92 G HA2 0.721 4.681 3.960 -0.001 0.000 0.291 92 G HA3 0.721 4.681 3.960 -0.001 0.000 0.291 92 G C -0.870 174.050 174.900 0.033 0.000 1.323 92 G CA -0.400 44.706 45.100 0.011 0.000 1.055 92 G HN 0.517 nan 8.290 nan 0.000 0.520 93 V N -3.395 116.560 119.914 0.067 0.000 3.159 93 V HA 0.754 4.873 4.120 -0.001 0.000 0.308 93 V C -1.269 174.949 176.094 0.206 0.000 1.190 93 V CA -1.026 61.346 62.300 0.121 0.000 1.037 93 V CB 1.802 33.710 31.823 0.142 0.000 1.060 93 V HN 1.041 nan 8.190 nan 0.000 0.437 94 H N 2.238 121.391 119.070 0.139 0.000 3.036 94 H HA 0.647 5.202 4.556 -0.001 0.000 0.295 94 H C -1.373 174.163 175.328 0.346 0.000 1.124 94 H CA -0.755 55.433 56.048 0.234 0.000 1.507 94 H CB 1.176 31.102 29.762 0.273 0.000 1.591 94 H HN 0.749 nan 8.280 nan 0.000 0.510 95 I N 6.216 127.100 120.570 0.522 0.000 2.359 95 I HA 0.278 4.448 4.170 -0.001 0.000 0.294 95 I C -0.581 175.843 176.117 0.512 0.000 0.987 95 I CA -0.628 60.969 61.300 0.494 0.000 1.225 95 I CB 1.693 39.975 38.000 0.470 0.000 1.366 95 I HN 0.362 nan 8.210 nan 0.000 0.466 96 L N 4.298 125.772 121.223 0.419 0.000 2.354 96 L HA 0.494 4.834 4.340 -0.001 0.000 0.264 96 L C -0.601 176.419 176.870 0.251 0.000 1.008 96 L CA -0.904 54.138 54.840 0.336 0.000 0.819 96 L CB 2.112 44.221 42.059 0.083 0.000 1.339 96 L HN 0.472 nan 8.230 nan 0.000 0.420 97 D N -0.046 120.496 120.400 0.236 0.000 2.255 97 D HA 0.166 4.805 4.640 -0.001 0.000 0.249 97 D C 0.760 177.216 176.300 0.261 0.000 1.078 97 D CA -0.111 53.948 54.000 0.099 0.000 0.896 97 D CB 1.827 42.680 40.800 0.088 0.000 1.194 97 D HN 0.669 nan 8.370 nan 0.000 0.429 98 T N -0.991 113.683 114.554 0.200 0.000 3.022 98 T HA 0.039 4.389 4.350 -0.001 0.000 0.250 98 T C 1.333 176.161 174.700 0.213 0.000 1.060 98 T CA 0.074 62.335 62.100 0.268 0.000 1.013 98 T CB -0.753 68.218 68.868 0.173 0.000 0.982 98 T HN 0.555 nan 8.240 nan 0.000 0.508 99 c N 1.819 120.437 118.600 0.030 0.000 4.274 99 c HA -0.188 4.381 4.570 -0.001 0.000 0.297 99 c C 1.290 175.320 174.090 -0.101 0.000 1.446 99 c CA 0.350 56.587 56.329 -0.153 0.000 2.016 99 c CB -3.235 38.942 42.510 -0.555 0.000 1.273 99 c HN 0.869 nan 8.230 nan 0.000 0.782 100 S N -1.634 114.068 115.700 0.003 0.000 3.521 100 S HA -0.229 4.240 4.470 -0.001 0.000 0.328 100 S C 0.063 174.534 174.600 -0.215 0.000 1.165 100 S CA 1.673 59.833 58.200 -0.067 0.000 0.941 100 S CB -0.715 62.417 63.200 -0.112 0.000 0.951 100 S HN 0.869 nan 8.310 nan 0.000 0.539 101 R N 0.304 120.762 120.500 -0.070 0.000 2.538 101 R HA 0.231 4.570 4.340 -0.001 0.000 0.292 101 R C 0.573 176.894 176.300 0.035 0.000 1.008 101 R CA -0.432 55.636 56.100 -0.054 0.000 0.896 101 R CB 1.175 31.460 30.300 -0.025 0.000 1.187 101 R HN 0.226 nan 8.270 nan 0.000 0.440 102 D N 1.265 121.667 120.400 0.003 0.000 2.133 102 D HA -0.231 4.409 4.640 -0.001 0.000 0.195 102 D C 1.456 177.781 176.300 0.043 0.000 0.997 102 D CA 2.400 56.416 54.000 0.027 0.000 0.840 102 D CB -0.458 40.348 40.800 0.010 0.000 0.947 102 D HN 0.600 nan 8.370 nan 0.000 0.452 103 T N -2.803 111.780 114.554 0.047 0.000 2.821 103 T HA -0.234 4.116 4.350 -0.001 0.000 0.267 103 T C 2.102 176.839 174.700 0.063 0.000 1.046 103 T CA 1.097 63.224 62.100 0.046 0.000 1.139 103 T CB -1.091 67.805 68.868 0.045 0.000 0.871 103 T HN 0.249 nan 8.240 nan 0.000 0.454 104 Y N 2.288 122.576 120.300 -0.020 0.000 2.163 104 Y HA 0.159 4.709 4.550 -0.001 0.000 0.288 104 Y C 2.831 178.717 175.900 -0.024 0.000 1.136 104 Y CA 0.990 59.080 58.100 -0.016 0.000 1.147 104 Y CB -0.843 37.612 38.460 -0.009 0.000 0.987 104 Y HN 0.305 nan 8.280 nan 0.000 0.509 105 A N 0.484 123.369 122.820 0.109 0.000 1.933 105 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 105 A C 2.346 179.885 177.584 -0.076 0.000 1.175 105 A CA 1.645 53.697 52.037 0.024 0.000 0.628 105 A CB -1.149 17.895 19.000 0.074 0.000 0.814 105 A HN 0.608 nan 8.150 nan 0.000 0.444 106 L N -0.286 120.908 121.223 -0.049 0.000 2.017 106 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 106 L C 2.380 179.177 176.870 -0.123 0.000 1.073 106 L CA 2.348 57.153 54.840 -0.058 0.000 0.745 106 L CB -0.628 41.419 42.059 -0.020 0.000 0.894 106 L HN 0.543 nan 8.230 nan 0.000 0.432 107 E N -0.724 119.380 120.200 -0.161 0.000 2.077 107 E HA -0.246 4.104 4.350 -0.001 0.000 0.193 107 E C 2.159 178.589 176.600 -0.283 0.000 0.989 107 E CA 0.961 57.239 56.400 -0.203 0.000 0.800 107 E CB -0.021 29.546 29.700 -0.221 0.000 0.746 107 E HN 0.554 nan 8.360 nan 0.000 0.452 108 Q N 0.403 119.978 119.800 -0.375 0.000 2.084 108 Q HA -0.098 4.242 4.340 -0.001 0.000 0.202 108 Q C 2.338 178.012 176.000 -0.542 0.000 0.978 108 Q CA 1.104 56.652 55.803 -0.425 0.000 0.844 108 Q CB -0.310 28.194 28.738 -0.389 0.000 0.898 108 Q HN 0.141 nan 8.270 nan 0.000 0.426 109 S N 1.157 116.571 115.700 -0.476 0.000 2.465 109 S HA -0.097 4.373 4.470 -0.001 0.000 0.241 109 S C 1.793 176.152 174.600 -0.401 0.000 1.000 109 S CA 0.367 58.233 58.200 -0.556 0.000 0.964 109 S CB -0.111 62.996 63.200 -0.155 0.000 0.763 109 S HN 0.163 nan 8.310 nan 0.000 0.512 110 L N 1.717 122.764 121.223 -0.294 0.000 2.187 110 L HA -0.059 4.281 4.340 -0.001 0.000 0.213 110 L C 2.258 178.991 176.870 -0.229 0.000 1.100 110 L CA 1.533 56.244 54.840 -0.214 0.000 0.765 110 L CB -1.054 40.910 42.059 -0.159 0.000 0.904 110 L HN 0.176 nan 8.230 nan 0.000 0.437 111 E N -0.946 119.066 120.200 -0.314 0.000 2.118 111 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 111 E C 2.163 178.728 176.600 -0.057 0.000 0.992 111 E CA 1.318 57.588 56.400 -0.217 0.000 0.804 111 E CB -0.250 29.243 29.700 -0.345 0.000 0.741 111 E HN 0.541 nan 8.360 nan 0.000 0.458 112 F N -0.915 118.956 119.950 -0.132 0.000 2.407 112 F HA -0.118 4.408 4.527 -0.001 0.000 0.299 112 F C 2.031 177.725 175.800 -0.177 0.000 1.097 112 F CA 0.449 58.379 58.000 -0.116 0.000 1.422 112 F CB 0.137 39.068 39.000 -0.116 0.000 1.067 112 F HN 0.065 nan 8.300 nan 0.000 0.539 113 V N -2.460 117.370 119.914 -0.139 0.000 3.431 113 V HA 0.098 4.218 4.120 -0.001 0.000 0.253 113 V C 1.823 177.709 176.094 -0.347 0.000 1.184 113 V CA 0.324 62.343 62.300 -0.468 0.000 1.104 113 V CB -0.350 30.764 31.823 -1.182 0.000 0.799 113 V HN 0.122 nan 8.190 nan 0.000 0.462 114 R N 1.393 121.777 120.500 -0.193 0.000 2.189 114 R HA 0.137 4.476 4.340 -0.001 0.000 0.223 114 R C 2.434 178.708 176.300 -0.043 0.000 1.092 114 R CA 1.262 57.302 56.100 -0.100 0.000 0.989 114 R CB -0.514 29.750 30.300 -0.060 0.000 0.876 114 R HN 0.618 nan 8.270 nan 0.000 0.457 115 A N 1.538 124.346 122.820 -0.020 0.000 1.902 115 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 115 A C 1.863 179.453 177.584 0.011 0.000 1.181 115 A CA 1.691 53.742 52.037 0.023 0.000 0.623 115 A CB -0.389 18.656 19.000 0.075 0.000 0.818 115 A HN 0.370 nan 8.150 nan 0.000 0.443 116 S N -0.866 114.829 115.700 -0.009 0.000 2.967 116 S HA 0.458 4.927 4.470 -0.001 0.000 0.254 116 S C -0.025 174.598 174.600 0.040 0.000 1.089 116 S CA -0.178 58.035 58.200 0.022 0.000 1.183 116 S CB -0.794 62.431 63.200 0.042 0.000 0.848 116 S HN 0.141 nan 8.310 nan 0.000 0.477 139 P HA 0.392 nan 4.420 nan 0.000 0.281 139 P C -0.682 176.631 177.300 0.021 0.000 1.252 139 P CA 0.142 63.254 63.100 0.019 0.000 0.778 139 P CB 1.147 32.865 31.700 0.030 0.000 0.895 140 L N 3.501 124.746 121.223 0.036 0.000 2.276 140 L HA 0.273 4.612 4.340 -0.001 0.000 0.286 140 L C 0.746 177.664 176.870 0.080 0.000 1.061 140 L CA -1.289 53.576 54.840 0.042 0.000 0.807 140 L CB 1.104 43.174 42.059 0.019 0.000 1.177 140 L HN 0.327 nan 8.230 nan 0.000 0.429 141 L N 5.111 126.361 121.223 0.046 0.000 2.455 141 L HA 0.178 4.518 4.340 -0.001 0.000 0.272 141 L C -0.249 176.639 176.870 0.030 0.000 1.174 141 L CA 0.483 55.346 54.840 0.038 0.000 0.869 141 L CB 0.199 42.272 42.059 0.024 0.000 1.130 141 L HN 0.290 nan 8.230 nan 0.000 0.474 142 I N 6.046 126.626 120.570 0.016 0.000 2.312 142 I HA 0.243 4.413 4.170 -0.001 0.000 0.290 142 I C 1.167 177.257 176.117 -0.045 0.000 1.008 142 I CA -0.159 61.117 61.300 -0.040 0.000 1.226 142 I CB 0.457 38.387 38.000 -0.117 0.000 1.371 142 I HN 0.823 nan 8.210 nan 0.000 0.468 143 A N 5.193 127.984 122.820 -0.048 0.000 1.929 143 A HA 0.422 4.741 4.320 -0.001 0.000 0.216 143 A C 1.067 178.621 177.584 -0.050 0.000 1.176 143 A CA 1.159 53.176 52.037 -0.033 0.000 0.628 143 A CB -0.124 18.858 19.000 -0.031 0.000 0.816 143 A HN 0.825 nan 8.150 nan 0.000 0.444 144 G N -2.679 106.062 108.800 -0.098 0.000 2.601 144 G HA2 0.486 4.446 3.960 -0.001 0.000 0.291 144 G HA3 0.486 4.446 3.960 -0.001 0.000 0.291 144 G C -1.746 173.044 174.900 -0.184 0.000 1.456 144 G CA -0.223 44.808 45.100 -0.114 0.000 0.804 144 G HN 0.377 nan 8.290 nan 0.000 0.499 145 V N 1.433 121.245 119.914 -0.170 0.000 2.555 145 V HA 0.510 4.629 4.120 -0.001 0.000 0.302 145 V C -0.544 175.491 176.094 -0.098 0.000 1.038 145 V CA -0.887 61.282 62.300 -0.218 0.000 0.887 145 V CB 1.719 33.405 31.823 -0.228 0.000 0.991 145 V HN 0.596 nan 8.190 nan 0.000 0.434 146 I N 4.359 124.891 120.570 -0.064 0.000 2.328 146 I HA 0.826 4.996 4.170 -0.001 0.000 0.287 146 I C 0.618 176.720 176.117 -0.025 0.000 1.012 146 I CA 0.349 61.662 61.300 0.023 0.000 1.195 146 I CB 0.492 38.568 38.000 0.128 0.000 1.350 146 I HN 0.890 nan 8.210 nan 0.000 0.464 147 G N 3.602 112.348 108.800 -0.090 0.000 2.369 147 G HA2 0.521 4.480 3.960 -0.001 0.000 0.307 147 G HA3 0.521 4.480 3.960 -0.001 0.000 0.307 147 G C -0.569 174.156 174.900 -0.293 0.000 1.327 147 G CA 0.028 44.961 45.100 -0.279 0.000 0.963 147 G HN 1.119 nan 8.290 nan 0.000 0.590 148 G N -1.569 107.022 108.800 -0.348 0.000 3.367 148 G HA2 0.404 4.364 3.960 -0.001 0.000 0.686 148 G HA3 0.404 4.364 3.960 -0.001 0.000 0.686 148 G C 0.341 175.007 174.900 -0.391 0.000 1.146 148 G CA 0.524 45.505 45.100 -0.199 0.000 0.913 148 G HN 1.654 nan 8.290 nan 0.000 0.554 149 S N 0.769 116.353 115.700 -0.194 0.000 2.541 149 S HA 0.273 4.742 4.470 -0.001 0.000 0.219 149 S C 0.877 175.333 174.600 -0.240 0.000 1.025 149 S CA 0.390 58.458 58.200 -0.220 0.000 0.917 149 S CB -0.072 63.074 63.200 -0.091 0.000 0.859 149 S HN 0.564 nan 8.310 nan 0.000 0.584 150 Y N 2.480 122.725 120.300 -0.092 0.000 2.526 150 Y HA 0.088 4.638 4.550 -0.001 0.000 0.330 150 Y C 1.830 177.683 175.900 -0.077 0.000 1.156 150 Y CA -0.059 57.978 58.100 -0.104 0.000 1.419 150 Y CB 0.410 38.826 38.460 -0.073 0.000 1.250 150 Y HN 0.135 nan 8.280 nan 0.000 0.540 151 S N 1.020 116.774 115.700 0.091 0.000 2.383 151 S HA -0.241 4.229 4.470 -0.001 0.000 0.229 151 S C 2.169 176.774 174.600 0.008 0.000 1.030 151 S CA 1.602 59.829 58.200 0.044 0.000 1.002 151 S CB -0.393 62.883 63.200 0.126 0.000 0.829 151 S HN 0.874 nan 8.310 nan 0.000 0.467 152 S N 1.666 117.412 115.700 0.076 0.000 2.382 152 S HA -0.105 4.364 4.470 -0.001 0.000 0.228 152 S C 2.091 176.697 174.600 0.010 0.000 1.027 152 S CA 1.212 59.430 58.200 0.031 0.000 0.991 152 S CB -0.924 62.300 63.200 0.039 0.000 0.823 152 S HN 0.515 nan 8.310 nan 0.000 0.469 153 V N 0.559 120.499 119.914 0.043 0.000 2.379 153 V HA -0.022 4.098 4.120 -0.001 0.000 0.245 153 V C 2.195 178.288 176.094 -0.001 0.000 1.044 153 V CA 2.035 64.356 62.300 0.034 0.000 1.036 153 V CB -1.255 30.612 31.823 0.074 0.000 0.664 153 V HN 0.477 nan 8.190 nan 0.000 0.453 154 S N 0.646 116.326 115.700 -0.033 0.000 2.370 154 S HA -0.068 4.402 4.470 -0.001 0.000 0.226 154 S C 1.803 176.282 174.600 -0.200 0.000 1.033 154 S CA 2.162 60.318 58.200 -0.073 0.000 1.011 154 S CB -0.508 62.644 63.200 -0.080 0.000 0.852 154 S HN 0.662 nan 8.310 nan 0.000 0.457 155 I N 1.489 121.900 120.570 -0.265 0.000 2.113 155 I HA -0.218 3.952 4.170 -0.001 0.000 0.238 155 I C 2.770 178.846 176.117 -0.069 0.000 1.070 155 I CA 1.164 62.268 61.300 -0.326 0.000 1.332 155 I CB -0.407 37.428 38.000 -0.275 0.000 1.044 155 I HN 0.263 nan 8.210 nan 0.000 0.402 156 Q N 0.263 120.053 119.800 -0.017 0.000 2.096 156 Q HA -0.170 4.170 4.340 -0.001 0.000 0.204 156 Q C 2.443 178.473 176.000 0.049 0.000 0.982 156 Q CA 1.470 57.293 55.803 0.033 0.000 0.850 156 Q CB -0.586 28.166 28.738 0.024 0.000 0.901 156 Q HN 0.420 nan 8.270 nan 0.000 0.422 157 V N 1.172 121.111 119.914 0.041 0.000 2.407 157 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 157 V C 2.391 178.552 176.094 0.112 0.000 1.055 157 V CA 1.633 63.979 62.300 0.076 0.000 1.049 157 V CB -1.015 30.863 31.823 0.092 0.000 0.662 157 V HN 0.326 nan 8.190 nan 0.000 0.455 158 A N 0.486 123.368 122.820 0.102 0.000 1.933 158 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 158 A C 2.015 179.714 177.584 0.192 0.000 1.175 158 A CA 1.896 54.036 52.037 0.173 0.000 0.628 158 A CB -0.612 18.460 19.000 0.119 0.000 0.814 158 A HN 0.597 nan 8.150 nan 0.000 0.444 159 N N -0.446 118.358 118.700 0.173 0.000 2.381 159 N HA -0.101 4.639 4.740 -0.001 0.000 0.182 159 N C 1.484 177.053 175.510 0.098 0.000 1.025 159 N CA 1.341 54.466 53.050 0.126 0.000 0.888 159 N CB -0.313 38.238 38.487 0.107 0.000 0.965 159 N HN 0.513 nan 8.380 nan 0.000 0.438 160 L N 0.073 121.367 121.223 0.119 0.000 2.130 160 L HA 0.117 4.456 4.340 -0.001 0.000 0.200 160 L C 1.748 178.752 176.870 0.223 0.000 1.075 160 L CA 0.970 55.907 54.840 0.160 0.000 0.768 160 L CB -0.649 41.487 42.059 0.128 0.000 0.933 160 L HN -0.126 nan 8.230 nan 0.000 0.451 161 L N 0.766 122.090 121.223 0.170 0.000 2.042 161 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 161 L C 2.874 179.761 176.870 0.028 0.000 1.076 161 L CA 2.259 57.187 54.840 0.146 0.000 0.749 161 L CB -1.197 40.940 42.059 0.129 0.000 0.893 161 L HN 0.489 nan 8.230 nan 0.000 0.432 162 R N -1.291 119.198 120.500 -0.019 0.000 2.127 162 R HA -0.171 4.169 4.340 -0.001 0.000 0.238 162 R C 1.943 178.057 176.300 -0.309 0.000 1.134 162 R CA 1.173 57.135 56.100 -0.231 0.000 0.975 162 R CB -0.811 29.504 30.300 0.025 0.000 0.865 162 R HN 0.178 nan 8.270 nan 0.000 0.447 163 L N 0.355 121.483 121.223 -0.158 0.000 2.265 163 L HA -0.024 4.316 4.340 -0.001 0.000 0.215 163 L C 0.978 177.485 176.870 -0.606 0.000 1.117 163 L CA 1.487 56.113 54.840 -0.356 0.000 0.782 163 L CB -0.389 41.450 42.059 -0.368 0.000 0.914 163 L HN 0.176 nan 8.230 nan 0.000 0.441 164 F N -1.271 118.561 119.950 -0.197 0.000 2.698 164 F HA 0.245 4.772 4.527 0.000 0.000 0.304 164 F C 0.686 176.334 175.800 -0.253 0.000 1.108 164 F CA -0.720 57.182 58.000 -0.163 0.000 1.263 164 F CB -0.452 38.498 39.000 -0.083 0.000 1.013 164 F HN -0.004 nan 8.300 nan 0.000 0.532 165 Q N 0.977 120.515 119.800 -0.437 0.000 2.451 165 Q HA -0.212 4.128 4.340 -0.001 0.000 0.305 165 Q C -0.467 175.369 176.000 -0.273 0.000 1.345 165 Q CA 0.556 55.899 55.803 -0.766 0.000 0.854 165 Q CB -1.861 26.752 28.738 -0.208 0.000 1.162 165 Q HN 0.505 nan 8.270 nan 0.000 0.440 166 I N 2.046 122.489 120.570 -0.212 0.000 2.354 166 I HA 0.291 4.461 4.170 -0.001 0.000 0.286 166 I C -1.782 174.400 176.117 0.109 0.000 1.007 166 I CA -2.305 58.999 61.300 0.008 0.000 1.167 166 I CB 1.164 39.171 38.000 0.011 0.000 1.320 166 I HN -0.082 nan 8.210 nan 0.000 0.458 167 P HA 0.011 nan 4.420 nan 0.000 0.269 167 P C -1.147 176.202 177.300 0.083 0.000 1.209 167 P CA -0.121 63.111 63.100 0.220 0.000 0.776 167 P CB 0.992 32.817 31.700 0.208 0.000 0.876 168 Q N 2.213 122.077 119.800 0.107 0.000 2.347 168 Q HA 0.569 4.909 4.340 -0.001 0.000 0.271 168 Q C -1.493 174.457 176.000 -0.083 0.000 1.064 168 Q CA -0.733 55.097 55.803 0.045 0.000 0.800 168 Q CB 1.499 30.348 28.738 0.184 0.000 1.304 168 Q HN 0.386 nan 8.270 nan 0.000 0.438 169 I N 2.175 122.682 120.570 -0.105 0.000 2.439 169 I HA 0.289 4.459 4.170 -0.001 0.000 0.285 169 I C -0.335 175.704 176.117 -0.130 0.000 1.021 169 I CA -0.649 60.572 61.300 -0.132 0.000 1.091 169 I CB 2.046 40.095 38.000 0.081 0.000 1.242 169 I HN 0.449 nan 8.210 nan 0.000 0.439 170 S N 4.349 119.893 115.700 -0.259 0.000 2.585 170 S HA 0.378 4.847 4.470 -0.001 0.000 0.277 170 S C 0.219 174.721 174.600 -0.164 0.000 1.241 170 S CA -0.379 57.679 58.200 -0.236 0.000 1.041 170 S CB 0.626 63.812 63.200 -0.024 0.000 0.987 170 S HN 0.537 nan 8.310 nan 0.000 0.512 171 Y N 1.923 122.254 120.300 0.052 0.000 2.507 171 Y HA 0.725 5.275 4.550 -0.000 0.000 0.254 171 Y C 0.843 176.748 175.900 0.008 0.000 1.171 171 Y CA -0.099 58.056 58.100 0.090 0.000 1.238 171 Y CB -0.328 38.223 38.460 0.152 0.000 1.148 171 Y HN 0.603 nan 8.280 nan 0.000 0.525 172 A N -0.982 121.722 122.820 -0.194 0.000 2.599 172 A HA 0.233 4.553 4.320 -0.001 0.000 0.162 172 A C 0.401 177.914 177.584 -0.117 0.000 1.654 172 A CA -0.139 51.835 52.037 -0.105 0.000 1.214 172 A CB -0.543 18.466 19.000 0.016 0.000 1.505 172 A HN 0.075 nan 8.150 nan 0.000 0.481 173 S N 2.263 117.900 115.700 -0.105 0.000 2.466 173 S HA 0.294 4.763 4.470 -0.001 0.000 0.286 173 S C 1.295 175.954 174.600 0.099 0.000 1.221 173 S CA 0.722 58.923 58.200 0.001 0.000 1.091 173 S CB 0.628 63.850 63.200 0.036 0.000 0.956 173 S HN 0.646 nan 8.310 nan 0.000 0.501 174 T N -0.563 114.088 114.554 0.162 0.000 3.069 174 T HA 0.146 4.496 4.350 -0.001 0.000 0.252 174 T C 0.832 175.672 174.700 0.233 0.000 1.053 174 T CA -0.294 61.942 62.100 0.227 0.000 0.964 174 T CB 0.106 69.157 68.868 0.305 0.000 1.005 174 T HN 0.436 nan 8.240 nan 0.000 0.532 175 S N 0.938 116.755 115.700 0.195 0.000 2.558 175 S HA 0.389 4.858 4.470 -0.001 0.000 0.293 175 S C 1.717 176.349 174.600 0.054 0.000 1.292 175 S CA 0.071 58.334 58.200 0.104 0.000 1.063 175 S CB 0.257 63.482 63.200 0.042 0.000 0.831 175 S HN 0.580 nan 8.310 nan 0.000 0.499 176 A N 5.396 128.237 122.820 0.034 0.000 2.070 176 A HA -0.057 4.263 4.320 -0.001 0.000 0.220 176 A C 2.102 179.674 177.584 -0.020 0.000 1.159 176 A CA 1.375 53.421 52.037 0.015 0.000 0.656 176 A CB -0.383 18.615 19.000 -0.003 0.000 0.800 176 A HN 0.946 nan 8.150 nan 0.000 0.453 177 K N -0.321 120.061 120.400 -0.030 0.000 2.063 177 K HA -0.079 4.240 4.320 -0.001 0.000 0.208 177 K C 1.510 178.105 176.600 -0.010 0.000 1.048 177 K CA 1.411 57.695 56.287 -0.005 0.000 0.928 177 K CB -0.411 32.074 32.500 -0.025 0.000 0.713 177 K HN 0.488 nan 8.250 nan 0.000 0.442 178 L N 1.056 122.162 121.223 -0.194 0.000 2.551 178 L HA -0.153 4.187 4.340 -0.001 0.000 0.230 178 L C 1.868 178.818 176.870 0.133 0.000 1.163 178 L CA 0.618 55.281 54.840 -0.294 0.000 0.826 178 L CB -0.227 41.550 42.059 -0.471 0.000 0.943 178 L HN 0.095 nan 8.230 nan 0.000 0.452 179 S N -1.547 114.230 115.700 0.129 0.000 2.489 179 S HA -0.073 4.396 4.470 -0.001 0.000 0.228 179 S C 0.748 175.474 174.600 0.211 0.000 0.995 179 S CA 0.119 58.407 58.200 0.148 0.000 0.934 179 S CB -0.248 62.876 63.200 -0.127 0.000 0.771 179 S HN 0.351 nan 8.310 nan 0.000 0.522 180 D N 2.238 122.770 120.400 0.219 0.000 2.348 180 D HA 0.064 4.704 4.640 -0.001 0.000 0.259 180 D C 0.755 177.193 176.300 0.231 0.000 1.296 180 D CA 0.072 54.193 54.000 0.203 0.000 0.931 180 D CB 0.398 41.286 40.800 0.147 0.000 1.067 180 D HN -0.130 nan 8.370 nan 0.000 0.503 181 K N 1.547 122.090 120.400 0.238 0.000 2.555 181 K HA -0.050 4.269 4.320 -0.001 0.000 0.193 181 K C 1.595 178.236 176.600 0.069 0.000 1.032 181 K CA 0.257 56.653 56.287 0.183 0.000 1.004 181 K CB -0.033 32.585 32.500 0.197 0.000 0.804 181 K HN 0.439 nan 8.250 nan 0.000 0.496 182 S N -0.434 115.282 115.700 0.027 0.000 2.501 182 S HA 0.070 4.540 4.470 -0.001 0.000 0.220 182 S C 1.792 176.323 174.600 -0.114 0.000 0.997 182 S CA 0.103 58.287 58.200 -0.026 0.000 0.919 182 S CB 0.253 63.442 63.200 -0.018 0.000 0.778 182 S HN 0.225 nan 8.310 nan 0.000 0.523 183 R N -0.903 119.458 120.500 -0.231 0.000 2.194 183 R HA 0.277 4.617 4.340 -0.001 0.000 0.194 183 R C -0.152 175.741 176.300 -0.678 0.000 0.985 183 R CA 0.410 56.178 56.100 -0.554 0.000 1.104 183 R CB 0.204 29.968 30.300 -0.893 0.000 1.092 183 R HN 0.476 nan 8.270 nan 0.000 0.555 184 Y N 1.784 122.108 120.300 0.040 0.000 2.696 184 Y HA 0.116 4.667 4.550 0.000 0.000 0.378 184 Y C 0.186 176.135 175.900 0.082 0.000 1.012 184 Y CA -0.963 57.173 58.100 0.059 0.000 1.396 184 Y CB 0.257 38.717 38.460 0.001 0.000 1.415 184 Y HN 0.105 nan 8.280 nan 0.000 0.569 185 D N -1.159 119.286 120.400 0.075 0.000 2.392 185 D HA -0.189 4.451 4.640 -0.001 0.000 0.228 185 D C 0.347 176.263 176.300 -0.639 0.000 1.003 185 D CA 0.901 54.834 54.000 -0.112 0.000 0.917 185 D CB -0.199 40.554 40.800 -0.079 0.000 0.890 185 D HN 0.440 nan 8.370 nan 0.000 0.532 186 Y N -1.042 118.992 120.300 -0.443 0.000 2.682 186 Y HA 0.294 4.843 4.550 -0.001 0.000 0.251 186 Y C -0.516 175.185 175.900 -0.331 0.000 1.172 186 Y CA -1.025 56.625 58.100 -0.751 0.000 1.186 186 Y CB 0.292 38.589 38.460 -0.272 0.000 1.216 186 Y HN -0.140 nan 8.280 nan 0.000 0.540 187 F N 1.106 120.983 119.950 -0.121 0.000 2.443 187 F HA 0.818 5.344 4.527 -0.001 0.000 0.335 187 F C -0.234 175.727 175.800 0.268 0.000 1.104 187 F CA -0.891 57.189 58.000 0.133 0.000 1.013 187 F CB 0.809 39.890 39.000 0.135 0.000 1.136 187 F HN -0.103 nan 8.300 nan 0.000 0.470 188 A N 5.915 128.370 122.820 -0.609 0.000 2.564 188 A HA 0.950 5.270 4.320 -0.001 0.000 0.288 188 A C -1.393 175.758 177.584 -0.722 0.000 1.164 188 A CA -0.932 50.829 52.037 -0.461 0.000 0.712 188 A CB 2.051 20.761 19.000 -0.484 0.000 1.303 188 A HN 0.912 nan 8.150 nan 0.000 0.418 189 R N -1.195 119.216 120.500 -0.148 0.000 2.690 189 R HA 0.498 4.837 4.340 -0.001 0.000 0.269 189 R C -0.586 175.889 176.300 0.290 0.000 1.037 189 R CA 0.097 56.199 56.100 0.002 0.000 0.877 189 R CB 0.749 31.045 30.300 -0.006 0.000 1.255 189 R HN 0.826 nan 8.270 nan 0.000 0.467 190 T N -1.864 112.822 114.554 0.221 0.000 3.122 190 T HA 0.212 4.562 4.350 -0.001 0.000 0.250 190 T C 0.878 175.614 174.700 0.059 0.000 1.067 190 T CA 0.334 62.558 62.100 0.206 0.000 0.966 190 T CB -0.453 68.612 68.868 0.328 0.000 1.002 190 T HN 0.471 nan 8.240 nan 0.000 0.542 191 V N -1.947 117.924 119.914 -0.073 0.000 2.960 191 V HA 0.842 4.962 4.120 -0.001 0.000 0.315 191 V C -3.072 172.997 176.094 -0.042 0.000 1.087 191 V CA -3.028 59.115 62.300 -0.263 0.000 0.982 191 V CB 2.419 33.990 31.823 -0.420 0.000 1.039 191 V HN -0.089 nan 8.190 nan 0.000 0.437 192 P HA 0.468 nan 4.420 nan 0.000 0.280 192 P C -2.930 174.521 177.300 0.252 0.000 1.272 192 P CA -2.128 61.044 63.100 0.119 0.000 0.819 192 P CB 0.923 32.654 31.700 0.050 0.000 1.122 193 P HA 0.133 nan 4.420 nan 0.000 0.278 193 P C 0.026 177.587 177.300 0.435 0.000 1.238 193 P CA -0.051 63.260 63.100 0.352 0.000 0.794 193 P CB 0.677 32.552 31.700 0.292 0.000 0.955 194 D N 0.925 121.511 120.400 0.311 0.000 2.392 194 D HA -0.093 4.546 4.640 -0.001 0.000 0.228 194 D C 1.302 177.686 176.300 0.139 0.000 1.003 194 D CA 0.549 54.714 54.000 0.274 0.000 0.917 194 D CB -0.631 40.308 40.800 0.232 0.000 0.890 194 D HN 0.364 nan 8.370 nan 0.000 0.532 195 F N 0.580 120.502 119.950 -0.046 0.000 2.161 195 F HA -0.288 4.239 4.527 0.000 0.000 0.300 195 F C 1.535 177.138 175.800 -0.328 0.000 1.089 195 F CA 1.503 59.350 58.000 -0.254 0.000 1.282 195 F CB -0.329 38.430 39.000 -0.401 0.000 1.010 195 F HN -0.039 nan 8.300 nan 0.000 0.485 196 Y N -0.015 120.288 120.300 0.004 0.000 2.231 196 Y HA -0.078 4.472 4.550 -0.001 0.000 0.294 196 Y C 2.773 178.357 175.900 -0.527 0.000 1.120 196 Y CA 1.380 59.363 58.100 -0.195 0.000 1.141 196 Y CB -1.215 37.425 38.460 0.301 0.000 1.022 196 Y HN 0.113 nan 8.280 nan 0.000 0.523 197 Q N 0.657 120.326 119.800 -0.219 0.000 2.112 197 Q HA -0.249 4.091 4.340 -0.001 0.000 0.206 197 Q C 2.360 178.131 176.000 -0.382 0.000 0.987 197 Q CA 1.756 57.157 55.803 -0.670 0.000 0.858 197 Q CB -0.282 28.329 28.738 -0.211 0.000 0.905 197 Q HN 0.505 nan 8.270 nan 0.000 0.420 198 A N 0.814 123.539 122.820 -0.158 0.000 1.933 198 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 198 A C 1.927 179.406 177.584 -0.175 0.000 1.175 198 A CA 1.686 53.692 52.037 -0.051 0.000 0.628 198 A CB -0.368 18.564 19.000 -0.114 0.000 0.814 198 A HN 0.329 nan 8.150 nan 0.000 0.444 199 K N -0.416 119.731 120.400 -0.422 0.000 2.057 199 K HA -0.045 4.275 4.320 -0.001 0.000 0.206 199 K C 2.376 178.646 176.600 -0.550 0.000 1.050 199 K CA 1.048 57.069 56.287 -0.443 0.000 0.935 199 K CB -0.349 31.856 32.500 -0.492 0.000 0.715 199 K HN 0.435 nan 8.250 nan 0.000 0.439 200 A N 1.558 123.752 122.820 -1.045 0.000 1.883 200 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 200 A C 2.185 179.558 177.584 -0.351 0.000 1.186 200 A CA 1.812 53.206 52.037 -1.072 0.000 0.624 200 A CB -0.542 17.762 19.000 -1.160 0.000 0.822 200 A HN 0.196 nan 8.150 nan 0.000 0.444 201 M N -0.611 118.866 119.600 -0.205 0.000 2.086 201 M HA -0.133 4.346 4.480 -0.001 0.000 0.261 201 M C 2.561 178.998 176.300 0.228 0.000 1.067 201 M CA 1.526 56.849 55.300 0.037 0.000 1.116 201 M CB -0.475 32.154 32.600 0.049 0.000 1.348 201 M HN 0.461 nan 8.290 nan 0.000 0.407 202 A N 0.290 123.266 122.820 0.259 0.000 1.908 202 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 202 A C 1.949 179.622 177.584 0.149 0.000 1.181 202 A CA 1.788 53.965 52.037 0.234 0.000 0.627 202 A CB -0.728 18.259 19.000 -0.022 0.000 0.818 202 A HN 0.554 nan 8.150 nan 0.000 0.445 203 E N -0.491 119.760 120.200 0.085 0.000 2.204 203 E HA -0.104 4.246 4.350 -0.001 0.000 0.194 203 E C 1.828 178.511 176.600 0.139 0.000 0.989 203 E CA 0.894 57.359 56.400 0.110 0.000 0.824 203 E CB -0.235 29.554 29.700 0.149 0.000 0.756 203 E HN 0.724 nan 8.360 nan 0.000 0.477 204 I N 1.038 121.708 120.570 0.167 0.000 2.202 204 I HA -0.279 3.891 4.170 -0.001 0.000 0.242 204 I C 2.356 178.656 176.117 0.304 0.000 1.091 204 I CA 0.953 62.397 61.300 0.240 0.000 1.368 204 I CB -0.247 37.937 38.000 0.306 0.000 1.058 204 I HN 0.124 nan 8.210 nan 0.000 0.410 205 L N 0.216 121.665 121.223 0.378 0.000 1.989 205 L HA -0.235 4.105 4.340 -0.001 0.000 0.211 205 L C 2.766 179.750 176.870 0.190 0.000 1.071 205 L CA 1.373 56.483 54.840 0.451 0.000 0.749 205 L CB -0.774 41.613 42.059 0.547 0.000 0.890 205 L HN 0.224 nan 8.230 nan 0.000 0.431 206 R N 0.187 120.783 120.500 0.160 0.000 2.159 206 R HA -0.226 4.114 4.340 -0.001 0.000 0.237 206 R C 2.078 178.380 176.300 0.002 0.000 1.131 206 R CA 1.480 57.627 56.100 0.079 0.000 0.982 206 R CB -0.761 29.584 30.300 0.076 0.000 0.868 206 R HN 0.274 nan 8.270 nan 0.000 0.453 207 F N -0.334 119.496 119.950 -0.199 0.000 2.060 207 F HA -0.040 4.487 4.527 -0.001 0.000 0.295 207 F C 1.239 176.718 175.800 -0.535 0.000 1.120 207 F CA 1.456 59.221 58.000 -0.392 0.000 1.205 207 F CB -0.475 38.188 39.000 -0.561 0.000 0.986 207 F HN 0.009 nan 8.300 nan 0.000 0.470 208 F N 1.272 120.878 119.950 -0.573 0.000 2.795 208 F HA 0.094 4.620 4.527 -0.001 0.000 0.303 208 F C 0.616 175.973 175.800 -0.738 0.000 1.186 208 F CA 0.281 57.732 58.000 -0.915 0.000 1.415 208 F CB -1.052 37.016 39.000 -1.553 0.000 1.106 208 F HN 0.044 nan 8.300 nan 0.000 0.558 209 N N -1.252 117.261 118.700 -0.312 0.000 2.725 209 N HA -0.204 4.536 4.740 -0.001 0.000 0.249 209 N C -1.144 174.430 175.510 0.107 0.000 1.103 209 N CA 0.479 53.474 53.050 -0.092 0.000 0.707 209 N CB -1.532 36.902 38.487 -0.089 0.000 1.043 209 N HN 0.303 nan 8.380 nan 0.000 0.553 210 W N 0.649 122.037 121.300 0.148 0.000 2.290 210 W HA 0.269 4.928 4.660 -0.001 0.000 0.408 210 W C 1.117 177.733 176.519 0.161 0.000 0.966 210 W CA -0.347 57.086 57.345 0.146 0.000 1.579 210 W CB -0.844 28.705 29.460 0.148 0.000 1.662 210 W HN -0.026 nan 8.180 nan 0.000 0.341 211 T N 0.828 115.598 114.554 0.361 0.000 3.100 211 T HA -0.094 4.256 4.350 -0.001 0.000 0.253 211 T C -0.418 174.491 174.700 0.348 0.000 1.118 211 T CA 0.832 63.109 62.100 0.295 0.000 1.058 211 T CB -0.105 68.912 68.868 0.248 0.000 0.953 211 T HN 0.088 nan 8.240 nan 0.000 0.515 212 Y N 2.865 123.272 120.300 0.178 0.000 2.426 212 Y HA 0.522 5.071 4.550 -0.001 0.000 0.325 212 Y C -0.602 175.354 175.900 0.095 0.000 0.989 212 Y CA -1.963 56.206 58.100 0.115 0.000 1.284 212 Y CB 0.741 39.246 38.460 0.075 0.000 1.104 212 Y HN -0.016 nan 8.280 nan 0.000 0.481 213 V N 0.920 120.774 119.914 -0.100 0.000 3.102 213 V HA 0.812 4.932 4.120 -0.001 0.000 0.312 213 V C -0.705 175.276 176.094 -0.187 0.000 1.135 213 V CA -0.732 61.496 62.300 -0.120 0.000 1.022 213 V CB 1.971 33.823 31.823 0.050 0.000 1.056 213 V HN 0.516 nan 8.190 nan 0.000 0.436 214 S N 1.130 116.734 115.700 -0.161 0.000 2.593 214 S HA 0.888 5.358 4.470 -0.001 0.000 0.297 214 S C -0.148 174.410 174.600 -0.069 0.000 1.112 214 S CA -0.098 58.023 58.200 -0.132 0.000 1.043 214 S CB 1.697 64.805 63.200 -0.154 0.000 1.054 214 S HN 1.379 nan 8.310 nan 0.000 0.516 215 T N -1.133 113.401 114.554 -0.033 0.000 2.893 215 T HA 0.726 5.076 4.350 -0.001 0.000 0.293 215 T C -0.921 173.775 174.700 -0.007 0.000 1.027 215 T CA -0.831 61.259 62.100 -0.017 0.000 0.988 215 T CB 1.357 70.246 68.868 0.035 0.000 1.043 215 T HN 0.609 nan 8.240 nan 0.000 0.461 216 V N 0.852 120.771 119.914 0.009 0.000 2.638 216 V HA 0.935 5.055 4.120 -0.001 0.000 0.306 216 V C -0.806 175.313 176.094 0.043 0.000 1.052 216 V CA -0.423 61.885 62.300 0.013 0.000 0.885 216 V CB 0.956 32.785 31.823 0.010 0.000 0.999 216 V HN 1.578 nan 8.190 nan 0.000 0.424 217 A N 4.179 127.021 122.820 0.036 0.000 2.413 217 A HA 0.883 5.203 4.320 -0.001 0.000 0.307 217 A C -0.070 177.552 177.584 0.064 0.000 1.087 217 A CA -0.616 51.467 52.037 0.076 0.000 0.750 217 A CB 1.991 21.022 19.000 0.052 0.000 1.296 217 A HN 1.067 nan 8.150 nan 0.000 0.423 218 S N 0.926 116.702 115.700 0.126 0.000 2.565 218 S HA 0.223 4.692 4.470 -0.001 0.000 0.276 218 S C 0.082 174.734 174.600 0.086 0.000 1.326 218 S CA -0.258 58.013 58.200 0.119 0.000 1.045 218 S CB 0.412 63.740 63.200 0.213 0.000 0.918 218 S HN 0.658 nan 8.310 nan 0.000 0.505 219 E N 1.015 121.242 120.200 0.044 0.000 2.373 219 E HA 0.497 4.847 4.350 -0.001 0.000 0.267 219 E C 0.576 177.208 176.600 0.053 0.000 1.032 219 E CA -0.015 56.402 56.400 0.028 0.000 0.889 219 E CB 0.698 30.400 29.700 0.003 0.000 0.984 219 E HN 0.816 nan 8.360 nan 0.000 0.425 220 G N 2.013 110.842 108.800 0.048 0.000 2.353 220 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.424 220 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.424 220 G C -0.253 174.690 174.900 0.072 0.000 1.320 220 G CA -0.655 44.484 45.100 0.064 0.000 0.995 220 G HN 0.558 nan 8.290 nan 0.000 0.580 221 D N -0.941 119.506 120.400 0.077 0.000 2.312 221 D HA -0.054 4.586 4.640 -0.001 0.000 0.211 221 D C 1.522 177.886 176.300 0.107 0.000 0.964 221 D CA 1.525 55.560 54.000 0.059 0.000 0.877 221 D CB 0.366 41.181 40.800 0.026 0.000 0.924 221 D HN 0.363 nan 8.370 nan 0.000 0.515 222 Y N 1.623 121.963 120.300 0.067 0.000 2.177 222 Y HA 0.083 4.633 4.550 -0.001 0.000 0.291 222 Y C 2.467 178.467 175.900 0.168 0.000 1.117 222 Y CA 1.733 59.912 58.100 0.132 0.000 1.114 222 Y CB -0.508 38.063 38.460 0.185 0.000 1.017 222 Y HN -0.124 nan 8.280 nan 0.000 0.505 223 G N -0.048 108.842 108.800 0.149 0.000 2.404 223 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.215 223 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.215 223 G C 1.417 176.263 174.900 -0.090 0.000 1.174 223 G CA 0.962 46.098 45.100 0.060 0.000 0.780 223 G HN 0.508 nan 8.290 nan 0.000 0.537 224 E N 0.110 120.279 120.200 -0.052 0.000 2.031 224 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 224 E C 2.917 179.425 176.600 -0.152 0.000 0.994 224 E CA 1.677 58.029 56.400 -0.080 0.000 0.800 224 E CB -0.377 29.302 29.700 -0.036 0.000 0.752 224 E HN 0.568 nan 8.360 nan 0.000 0.447 225 T N -1.373 113.087 114.554 -0.157 0.000 2.867 225 T HA -0.056 4.294 4.350 -0.001 0.000 0.268 225 T C 2.074 176.563 174.700 -0.351 0.000 1.057 225 T CA 1.080 63.070 62.100 -0.183 0.000 1.136 225 T CB -0.547 68.250 68.868 -0.117 0.000 0.874 225 T HN 0.201 nan 8.240 nan 0.000 0.466 226 G N 1.438 109.881 108.800 -0.595 0.000 2.418 226 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.217 226 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.217 226 G C 1.504 175.624 174.900 -1.300 0.000 1.158 226 G CA 0.560 44.840 45.100 -1.366 0.000 0.771 226 G HN 0.424 nan 8.290 nan 0.000 0.545 227 I N 1.076 121.202 120.570 -0.740 0.000 2.439 227 I HA -0.019 4.151 4.170 -0.001 0.000 0.251 227 I C 2.504 178.538 176.117 -0.138 0.000 1.139 227 I CA 0.912 62.030 61.300 -0.304 0.000 1.438 227 I CB -0.675 37.262 38.000 -0.106 0.000 1.085 227 I HN 0.322 nan 8.210 nan 0.000 0.427 228 E N 0.484 120.578 120.200 -0.175 0.000 2.077 228 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 228 E C 2.254 178.785 176.600 -0.115 0.000 0.989 228 E CA 1.383 57.717 56.400 -0.110 0.000 0.800 228 E CB -0.063 29.575 29.700 -0.103 0.000 0.746 228 E HN 0.489 nan 8.360 nan 0.000 0.452 229 A N 0.993 123.712 122.820 -0.168 0.000 1.902 229 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 229 A C 1.967 179.475 177.584 -0.126 0.000 1.181 229 A CA 1.175 53.125 52.037 -0.146 0.000 0.623 229 A CB -0.717 18.176 19.000 -0.179 0.000 0.818 229 A HN 0.351 nan 8.150 nan 0.000 0.443 230 F N 1.024 120.833 119.950 -0.235 0.000 2.075 230 F HA -0.168 4.358 4.527 -0.001 0.000 0.297 230 F C 2.113 177.858 175.800 -0.092 0.000 1.113 230 F CA 2.244 60.158 58.000 -0.145 0.000 1.218 230 F CB -0.602 38.340 39.000 -0.097 0.000 0.984 230 F HN 0.372 nan 8.300 nan 0.000 0.472 231 E N -0.064 120.019 120.200 -0.195 0.000 2.086 231 E HA -0.332 4.017 4.350 -0.001 0.000 0.200 231 E C 2.207 178.645 176.600 -0.270 0.000 1.012 231 E CA 2.082 58.335 56.400 -0.244 0.000 0.812 231 E CB -0.345 29.318 29.700 -0.062 0.000 0.743 231 E HN 0.627 nan 8.360 nan 0.000 0.453 232 Q N 0.225 119.909 119.800 -0.194 0.000 2.050 232 Q HA -0.183 4.157 4.340 -0.001 0.000 0.202 232 Q C 2.114 177.997 176.000 -0.194 0.000 0.980 232 Q CA 1.091 56.802 55.803 -0.153 0.000 0.840 232 Q CB -0.018 28.657 28.738 -0.104 0.000 0.898 232 Q HN 0.209 nan 8.270 nan 0.000 0.424 233 E N 0.394 120.442 120.200 -0.254 0.000 2.265 233 E HA -0.149 4.200 4.350 -0.001 0.000 0.196 233 E C 1.770 178.191 176.600 -0.298 0.000 0.996 233 E CA 0.995 57.245 56.400 -0.250 0.000 0.832 233 E CB -0.137 29.412 29.700 -0.252 0.000 0.756 233 E HN 0.366 nan 8.360 nan 0.000 0.491 234 A N 1.473 124.011 122.820 -0.470 0.000 1.854 234 A HA -0.133 4.187 4.320 -0.001 0.000 0.214 234 A C 2.209 179.674 177.584 -0.197 0.000 1.192 234 A CA 1.103 52.882 52.037 -0.429 0.000 0.611 234 A CB -0.408 18.206 19.000 -0.643 0.000 0.832 234 A HN 0.090 nan 8.150 nan 0.000 0.442 235 R N -0.322 120.079 120.500 -0.165 0.000 2.112 235 R HA -0.152 4.188 4.340 -0.001 0.000 0.242 235 R C 1.992 178.254 176.300 -0.063 0.000 1.137 235 R CA 1.778 57.827 56.100 -0.085 0.000 0.944 235 R CB -0.734 29.523 30.300 -0.072 0.000 0.857 235 R HN 0.527 nan 8.270 nan 0.000 0.435 236 L N 0.024 121.202 121.223 -0.075 0.000 2.261 236 L HA -0.170 4.169 4.340 -0.001 0.000 0.216 236 L C 1.584 178.433 176.870 -0.035 0.000 1.114 236 L CA 1.308 56.119 54.840 -0.050 0.000 0.777 236 L CB -0.230 41.797 42.059 -0.053 0.000 0.910 236 L HN 0.163 nan 8.230 nan 0.000 0.440 237 R N -0.382 120.093 120.500 -0.042 0.000 2.546 237 R HA 0.163 4.503 4.340 -0.001 0.000 0.320 237 R C -0.150 176.152 176.300 0.005 0.000 1.021 237 R CA -0.204 55.887 56.100 -0.014 0.000 1.088 237 R CB 0.299 30.593 30.300 -0.011 0.000 1.278 237 R HN 0.183 nan 8.270 nan 0.000 0.557 238 N N 1.162 119.863 118.700 0.001 0.000 2.727 238 N HA -0.199 4.541 4.740 -0.001 0.000 0.251 238 N C -0.953 174.592 175.510 0.059 0.000 1.040 238 N CA 1.047 54.113 53.050 0.027 0.000 0.712 238 N CB -0.960 37.547 38.487 0.034 0.000 0.912 238 N HN 0.336 nan 8.380 nan 0.000 0.545 239 I N 0.416 121.011 120.570 0.042 0.000 2.406 239 I HA 0.276 4.446 4.170 -0.001 0.000 0.290 239 I C 0.489 176.654 176.117 0.081 0.000 0.999 239 I CA -0.610 60.743 61.300 0.088 0.000 1.124 239 I CB 1.782 39.826 38.000 0.072 0.000 1.289 239 I HN 0.046 nan 8.210 nan 0.000 0.441 240 c N 6.400 125.091 118.600 0.152 0.000 2.365 240 c HA 0.532 5.102 4.570 -0.001 0.000 0.349 240 c C 0.354 174.506 174.090 0.104 0.000 1.191 240 c CA -0.612 55.804 56.329 0.146 0.000 2.114 240 c CB 1.034 43.684 42.510 0.233 0.000 2.367 240 c HN 0.543 nan 8.230 nan 0.000 0.530 241 I N 2.685 123.288 120.570 0.054 0.000 2.307 241 I HA 0.225 4.394 4.170 -0.001 0.000 0.289 241 I C 1.206 177.269 176.117 -0.090 0.000 1.021 241 I CA -0.068 61.228 61.300 -0.008 0.000 1.224 241 I CB 1.330 39.353 38.000 0.039 0.000 1.376 241 I HN 0.932 nan 8.210 nan 0.000 0.470 242 A N 4.684 127.304 122.820 -0.332 0.000 1.858 242 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 242 A C 1.175 178.681 177.584 -0.131 0.000 1.190 242 A CA 1.658 53.455 52.037 -0.401 0.000 0.617 242 A CB -0.032 18.497 19.000 -0.784 0.000 0.827 242 A HN 0.594 nan 8.150 nan 0.000 0.443 243 T N -1.802 112.682 114.554 -0.117 0.000 3.172 243 T HA 0.534 4.884 4.350 -0.001 0.000 0.320 243 T C -1.359 173.317 174.700 -0.039 0.000 1.085 243 T CA 0.109 62.177 62.100 -0.053 0.000 1.052 243 T CB 1.200 70.043 68.868 -0.042 0.000 1.107 243 T HN 0.870 nan 8.240 nan 0.000 0.458 244 A N 4.619 127.429 122.820 -0.018 0.000 2.294 244 A HA 0.708 5.028 4.320 -0.001 0.000 0.316 244 A C 0.114 177.688 177.584 -0.016 0.000 1.359 244 A CA -0.513 51.520 52.037 -0.007 0.000 0.956 244 A CB 0.302 19.306 19.000 0.007 0.000 1.155 244 A HN 0.715 nan 8.150 nan 0.000 0.544 245 E N 1.609 121.795 120.200 -0.023 0.000 2.232 245 E HA 0.597 4.947 4.350 -0.001 0.000 0.265 245 E C -0.509 176.067 176.600 -0.040 0.000 1.001 245 E CA -0.504 55.873 56.400 -0.037 0.000 0.870 245 E CB 2.016 31.687 29.700 -0.047 0.000 1.175 245 E HN 0.714 nan 8.360 nan 0.000 0.407 246 K N -1.489 118.873 120.400 -0.063 0.000 2.561 246 K HA 0.465 4.784 4.320 -0.001 0.000 0.254 246 K C -0.737 175.790 176.600 -0.122 0.000 0.942 246 K CA -0.802 55.444 56.287 -0.068 0.000 0.818 246 K CB 1.203 33.681 32.500 -0.037 0.000 1.306 246 K HN 0.278 nan 8.250 nan 0.000 0.435 247 V N -0.943 118.873 119.914 -0.164 0.000 2.994 247 V HA 0.978 5.097 4.120 -0.001 0.000 0.318 247 V C 0.121 176.143 176.094 -0.120 0.000 1.085 247 V CA 0.267 62.408 62.300 -0.265 0.000 0.998 247 V CB 1.269 32.716 31.823 -0.626 0.000 1.063 247 V HN 1.091 nan 8.190 nan 0.000 0.447 248 G N 1.285 110.031 108.800 -0.089 0.000 2.791 248 G HA2 0.367 4.327 3.960 -0.001 0.000 0.158 248 G HA3 0.367 4.327 3.960 -0.001 0.000 0.158 248 G C -0.796 174.106 174.900 0.004 0.000 1.193 248 G CA -1.242 43.847 45.100 -0.019 0.000 1.032 248 G HN 0.775 nan 8.290 nan 0.000 0.557 249 R N 1.162 121.659 120.500 -0.005 0.000 2.570 249 R HA 0.335 4.674 4.340 -0.001 0.000 0.277 249 R C 0.764 177.066 176.300 0.003 0.000 1.039 249 R CA 1.076 57.173 56.100 -0.006 0.000 1.065 249 R CB 0.438 30.732 30.300 -0.011 0.000 0.964 249 R HN 1.284 nan 8.270 nan 0.000 0.428 250 S N 0.780 116.484 115.700 0.005 0.000 3.550 250 S HA -0.211 4.259 4.470 -0.001 0.000 0.372 250 S C -0.661 173.958 174.600 0.031 0.000 0.966 250 S CA 0.623 58.830 58.200 0.012 0.000 1.229 250 S CB -1.531 61.671 63.200 0.003 0.000 0.917 250 S HN 0.734 nan 8.310 nan 0.000 0.496 251 N N 0.722 119.464 118.700 0.070 0.000 2.408 251 N HA 0.768 5.507 4.740 -0.001 0.000 0.280 251 N C -0.074 175.539 175.510 0.171 0.000 1.002 251 N CA -0.594 52.527 53.050 0.118 0.000 0.907 251 N CB 0.971 39.540 38.487 0.136 0.000 1.161 251 N HN 0.440 nan 8.380 nan 0.000 0.488 252 I N 0.682 121.328 120.570 0.126 0.000 3.210 252 I HA 0.369 4.539 4.170 -0.001 0.000 0.316 252 I C 1.937 178.145 176.117 0.152 0.000 1.067 252 I CA -0.718 60.638 61.300 0.093 0.000 1.047 252 I CB 0.632 38.659 38.000 0.044 0.000 1.352 252 I HN 0.384 nan 8.210 nan 0.000 0.565 253 R N 0.968 121.510 120.500 0.070 0.000 2.168 253 R HA -0.284 4.056 4.340 -0.001 0.000 0.242 253 R C 1.897 178.281 176.300 0.139 0.000 1.123 253 R CA 2.294 58.439 56.100 0.075 0.000 0.928 253 R CB -0.626 29.686 30.300 0.021 0.000 0.873 253 R HN 0.509 nan 8.270 nan 0.000 0.434 254 K N 0.024 120.477 120.400 0.088 0.000 2.071 254 K HA -0.220 4.100 4.320 -0.001 0.000 0.217 254 K C 2.302 178.944 176.600 0.071 0.000 1.054 254 K CA 2.170 58.498 56.287 0.069 0.000 0.937 254 K CB -0.310 32.215 32.500 0.042 0.000 0.719 254 K HN 0.115 nan 8.250 nan 0.000 0.454 255 S N -0.042 115.700 115.700 0.070 0.000 2.383 255 S HA -0.152 4.317 4.470 -0.001 0.000 0.229 255 S C 1.832 176.385 174.600 -0.078 0.000 1.030 255 S CA 1.370 59.557 58.200 -0.021 0.000 1.002 255 S CB -0.279 62.877 63.200 -0.074 0.000 0.829 255 S HN 0.277 nan 8.310 nan 0.000 0.467 256 Y N 1.770 122.063 120.300 -0.012 0.000 2.206 256 Y HA -0.033 4.516 4.550 -0.001 0.000 0.292 256 Y C 2.433 178.335 175.900 0.004 0.000 1.123 256 Y CA 0.761 58.853 58.100 -0.014 0.000 1.142 256 Y CB -0.450 37.991 38.460 -0.032 0.000 1.006 256 Y HN 0.186 nan 8.280 nan 0.000 0.518 257 D N -0.705 119.794 120.400 0.166 0.000 2.133 257 D HA -0.208 4.432 4.640 -0.001 0.000 0.195 257 D C 2.261 178.608 176.300 0.078 0.000 0.997 257 D CA 1.734 55.799 54.000 0.109 0.000 0.840 257 D CB -0.378 40.471 40.800 0.082 0.000 0.947 257 D HN 0.243 nan 8.370 nan 0.000 0.452 258 S N -0.113 115.618 115.700 0.050 0.000 2.419 258 S HA -0.097 4.373 4.470 -0.001 0.000 0.233 258 S C 2.061 176.670 174.600 0.014 0.000 1.016 258 S CA 0.579 58.794 58.200 0.025 0.000 0.974 258 S CB 0.011 63.213 63.200 0.003 0.000 0.786 258 S HN 0.027 nan 8.310 nan 0.000 0.492 259 V N 1.981 121.896 119.914 0.001 0.000 2.488 259 V HA -0.042 4.078 4.120 -0.001 0.000 0.246 259 V C 2.310 178.422 176.094 0.030 0.000 1.046 259 V CA 0.997 63.288 62.300 -0.014 0.000 1.053 259 V CB -0.437 31.347 31.823 -0.065 0.000 0.679 259 V HN 0.471 nan 8.190 nan 0.000 0.458 260 I N 0.215 120.833 120.570 0.079 0.000 2.202 260 I HA -0.170 4.000 4.170 -0.001 0.000 0.242 260 I C 2.642 178.849 176.117 0.150 0.000 1.091 260 I CA 1.564 62.947 61.300 0.138 0.000 1.368 260 I CB -1.207 36.907 38.000 0.189 0.000 1.058 260 I HN 0.322 nan 8.210 nan 0.000 0.410 261 R N 0.745 121.309 120.500 0.108 0.000 2.080 261 R HA -0.190 4.149 4.340 -0.001 0.000 0.236 261 R C 2.086 178.436 176.300 0.084 0.000 1.137 261 R CA 1.520 57.676 56.100 0.093 0.000 0.943 261 R CB -0.359 29.979 30.300 0.063 0.000 0.846 261 R HN 0.505 nan 8.270 nan 0.000 0.431 262 E N 0.661 120.895 120.200 0.056 0.000 2.153 262 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 262 E C 2.095 178.724 176.600 0.047 0.000 0.988 262 E CA 0.830 57.253 56.400 0.039 0.000 0.811 262 E CB -0.077 29.631 29.700 0.013 0.000 0.746 262 E HN 0.357 nan 8.360 nan 0.000 0.466 263 L N 0.502 121.759 121.223 0.057 0.000 2.156 263 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 263 L C 2.336 179.344 176.870 0.229 0.000 1.095 263 L CA 0.652 55.524 54.840 0.054 0.000 0.770 263 L CB -0.210 41.756 42.059 -0.156 0.000 0.914 263 L HN 0.163 nan 8.230 nan 0.000 0.439 264 L N -0.743 120.636 121.223 0.259 0.000 2.362 264 L HA -0.166 4.174 4.340 -0.001 0.000 0.219 264 L C 2.152 179.086 176.870 0.107 0.000 1.134 264 L CA 0.773 55.736 54.840 0.206 0.000 0.807 264 L CB -0.329 41.827 42.059 0.161 0.000 0.927 264 L HN 0.349 nan 8.230 nan 0.000 0.447 265 Q N 0.016 119.869 119.800 0.089 0.000 2.482 265 Q HA -0.012 4.327 4.340 -0.001 0.000 0.209 265 Q C 0.107 176.146 176.000 0.064 0.000 0.961 265 Q CA 0.531 56.369 55.803 0.060 0.000 0.945 265 Q CB 0.364 29.130 28.738 0.046 0.000 1.012 265 Q HN 0.175 nan 8.270 nan 0.000 0.515 266 K N 0.551 120.999 120.400 0.080 0.000 3.163 266 K HA 0.173 4.493 4.320 -0.001 0.000 0.186 266 K C -2.123 174.542 176.600 0.109 0.000 1.111 266 K CA -1.499 54.844 56.287 0.094 0.000 0.918 266 K CB 1.065 33.582 32.500 0.028 0.000 1.059 266 K HN -0.030 nan 8.250 nan 0.000 0.558 267 P HA -0.229 nan 4.420 nan 0.000 0.217 267 P C 0.750 178.077 177.300 0.046 0.000 1.151 267 P CA 1.329 64.449 63.100 0.032 0.000 0.849 267 P CB 0.375 32.077 31.700 0.002 0.000 0.787 268 N N 0.515 119.284 118.700 0.115 0.000 2.166 268 N HA -0.066 4.673 4.740 -0.001 0.000 0.186 268 N C 1.019 176.660 175.510 0.218 0.000 1.019 268 N CA 0.937 54.074 53.050 0.145 0.000 0.856 268 N CB -0.756 37.802 38.487 0.118 0.000 0.993 268 N HN 0.138 nan 8.380 nan 0.000 0.426 269 A N 1.123 124.075 122.820 0.221 0.000 2.655 269 A HA 0.167 4.487 4.320 -0.001 0.000 0.297 269 A C 1.257 178.846 177.584 0.008 0.000 1.461 269 A CA -0.077 51.966 52.037 0.011 0.000 1.146 269 A CB -0.087 18.737 19.000 -0.293 0.000 1.108 269 A HN 0.041 nan 8.150 nan 0.000 0.550 270 R N 1.686 122.158 120.500 -0.047 0.000 2.280 270 R HA 0.177 4.517 4.340 -0.001 0.000 0.195 270 R C -0.181 175.999 176.300 -0.199 0.000 0.935 270 R CA 0.589 56.628 56.100 -0.101 0.000 1.033 270 R CB 0.138 30.342 30.300 -0.160 0.000 0.964 270 R HN 0.413 nan 8.270 nan 0.000 0.489 271 V N 1.330 121.064 119.914 -0.301 0.000 2.370 271 V HA 0.354 4.474 4.120 -0.001 0.000 0.283 271 V C -0.763 175.160 176.094 -0.284 0.000 1.023 271 V CA -0.796 61.234 62.300 -0.450 0.000 0.857 271 V CB 1.820 33.174 31.823 -0.781 0.000 0.985 271 V HN -0.185 nan 8.190 nan 0.000 0.443 272 V N 6.141 125.880 119.914 -0.292 0.000 2.378 272 V HA 0.383 4.503 4.120 -0.001 0.000 0.288 272 V C -0.006 176.058 176.094 -0.049 0.000 1.016 272 V CA -0.717 61.469 62.300 -0.189 0.000 0.840 272 V CB 1.820 33.457 31.823 -0.310 0.000 0.994 272 V HN 0.570 nan 8.190 nan 0.000 0.431 273 V N 6.886 126.745 119.914 -0.093 0.000 2.488 273 V HA 0.343 4.463 4.120 -0.001 0.000 0.277 273 V C 0.031 176.077 176.094 -0.081 0.000 1.046 273 V CA -0.078 62.116 62.300 -0.176 0.000 0.986 273 V CB 1.170 32.671 31.823 -0.538 0.000 0.989 273 V HN 0.608 nan 8.190 nan 0.000 0.475 274 L N 5.534 126.739 121.223 -0.030 0.000 2.333 274 L HA 0.541 4.880 4.340 -0.001 0.000 0.280 274 L C -0.893 175.974 176.870 -0.006 0.000 1.004 274 L CA -0.273 54.594 54.840 0.045 0.000 0.820 274 L CB 1.822 43.966 42.059 0.142 0.000 1.247 274 L HN 0.549 nan 8.230 nan 0.000 0.416 275 F N 4.577 124.511 119.950 -0.028 0.000 2.660 275 F HA 0.509 5.036 4.527 -0.000 0.000 0.352 275 F C -0.263 175.586 175.800 0.082 0.000 1.257 275 F CA -0.274 57.702 58.000 -0.041 0.000 1.200 275 F CB 0.641 39.535 39.000 -0.176 0.000 1.473 275 F HN 0.337 nan 8.300 nan 0.000 0.561 276 M N 1.694 121.459 119.600 0.275 0.000 2.644 276 M HA 0.517 4.996 4.480 -0.001 0.000 0.304 276 M C -0.089 176.427 176.300 0.359 0.000 1.215 276 M CA -1.027 54.470 55.300 0.328 0.000 0.871 276 M CB 2.583 35.294 32.600 0.185 0.000 1.740 276 M HN 0.178 nan 8.290 nan 0.000 0.464 277 R N 0.104 120.780 120.500 0.293 0.000 2.827 277 R HA 0.062 4.402 4.340 -0.001 0.000 0.269 277 R C 1.261 177.625 176.300 0.107 0.000 1.048 277 R CA 0.109 56.323 56.100 0.190 0.000 1.173 277 R CB 0.376 30.832 30.300 0.261 0.000 1.070 277 R HN 0.811 nan 8.270 nan 0.000 0.498 278 S N 0.860 116.605 115.700 0.075 0.000 2.348 278 S HA -0.185 4.285 4.470 -0.001 0.000 0.221 278 S C 1.383 175.960 174.600 -0.037 0.000 1.033 278 S CA 2.021 60.211 58.200 -0.016 0.000 1.010 278 S CB -0.284 62.892 63.200 -0.041 0.000 0.891 278 S HN 0.762 nan 8.310 nan 0.000 0.442 279 D N 0.962 121.384 120.400 0.035 0.000 2.117 279 D HA -0.130 4.509 4.640 -0.001 0.000 0.197 279 D C 1.383 177.636 176.300 -0.078 0.000 0.987 279 D CA 1.508 55.484 54.000 -0.040 0.000 0.829 279 D CB -1.089 39.693 40.800 -0.031 0.000 0.961 279 D HN 0.362 nan 8.370 nan 0.000 0.460 280 D N 0.374 120.777 120.400 0.005 0.000 2.117 280 D HA -0.085 4.555 4.640 -0.001 0.000 0.197 280 D C 2.149 178.452 176.300 0.004 0.000 0.987 280 D CA 1.271 55.322 54.000 0.085 0.000 0.829 280 D CB -0.447 40.462 40.800 0.181 0.000 0.961 280 D HN 0.146 nan 8.370 nan 0.000 0.460 281 S N 0.363 116.021 115.700 -0.070 0.000 2.359 281 S HA -0.222 4.248 4.470 -0.001 0.000 0.224 281 S C 1.911 176.265 174.600 -0.409 0.000 1.035 281 S CA 1.329 59.395 58.200 -0.224 0.000 1.018 281 S CB -0.095 62.939 63.200 -0.277 0.000 0.876 281 S HN 0.114 nan 8.310 nan 0.000 0.448 282 R N 1.676 121.946 120.500 -0.384 0.000 2.091 282 R HA -0.070 4.270 4.340 -0.001 0.000 0.238 282 R C 2.059 178.128 176.300 -0.385 0.000 1.136 282 R CA 1.558 57.418 56.100 -0.401 0.000 0.959 282 R CB -0.504 29.616 30.300 -0.301 0.000 0.856 282 R HN 0.293 nan 8.270 nan 0.000 0.437 283 E N 0.278 120.225 120.200 -0.422 0.000 2.077 283 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 283 E C 1.907 178.185 176.600 -0.536 0.000 0.989 283 E CA 0.969 56.977 56.400 -0.652 0.000 0.800 283 E CB -0.334 28.612 29.700 -1.256 0.000 0.746 283 E HN 0.330 nan 8.360 nan 0.000 0.452 284 L N 0.977 122.041 121.223 -0.265 0.000 2.056 284 L HA -0.156 4.184 4.340 -0.001 0.000 0.207 284 L C 2.178 178.925 176.870 -0.206 0.000 1.078 284 L CA 1.091 55.918 54.840 -0.022 0.000 0.749 284 L CB -0.347 41.711 42.059 -0.002 0.000 0.901 284 L HN 0.093 nan 8.230 nan 0.000 0.433 285 I N 0.443 120.784 120.570 -0.381 0.000 2.226 285 I HA -0.211 3.959 4.170 -0.001 0.000 0.245 285 I C 2.897 178.887 176.117 -0.210 0.000 1.100 285 I CA 1.382 62.451 61.300 -0.384 0.000 1.374 285 I CB -1.646 36.029 38.000 -0.542 0.000 1.057 285 I HN 0.201 nan 8.210 nan 0.000 0.413 286 A N 0.841 123.527 122.820 -0.223 0.000 1.902 286 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 286 A C 2.577 180.112 177.584 -0.080 0.000 1.181 286 A CA 1.930 53.873 52.037 -0.158 0.000 0.623 286 A CB -0.742 18.144 19.000 -0.189 0.000 0.818 286 A HN 0.406 nan 8.150 nan 0.000 0.443 287 A N -0.128 122.653 122.820 -0.064 0.000 1.902 287 A HA 0.154 4.474 4.320 -0.001 0.000 0.217 287 A C 2.487 180.123 177.584 0.086 0.000 1.181 287 A CA 2.069 54.121 52.037 0.026 0.000 0.623 287 A CB -0.978 18.076 19.000 0.091 0.000 0.818 287 A HN 1.073 nan 8.150 nan 0.000 0.443 288 A N 0.081 122.971 122.820 0.118 0.000 1.969 288 A HA -0.192 4.128 4.320 -0.001 0.000 0.218 288 A C 1.924 179.612 177.584 0.174 0.000 1.169 288 A CA 2.004 54.184 52.037 0.238 0.000 0.635 288 A CB -0.715 18.536 19.000 0.418 0.000 0.810 288 A HN 0.626 nan 8.150 nan 0.000 0.445 289 N N -0.306 118.442 118.700 0.080 0.000 2.244 289 N HA -0.133 4.607 4.740 -0.001 0.000 0.183 289 N C 1.855 177.417 175.510 0.086 0.000 1.016 289 N CA 1.440 54.520 53.050 0.050 0.000 0.866 289 N CB -0.217 38.245 38.487 -0.041 0.000 0.980 289 N HN 0.512 nan 8.380 nan 0.000 0.430 290 R N -0.301 120.238 120.500 0.064 0.000 2.070 290 R HA -0.050 4.290 4.340 -0.001 0.000 0.232 290 R C 1.656 178.002 176.300 0.076 0.000 1.138 290 R CA 1.782 57.918 56.100 0.060 0.000 0.936 290 R CB -0.681 29.644 30.300 0.043 0.000 0.839 290 R HN 0.302 nan 8.270 nan 0.000 0.429 291 V N -0.966 119.002 119.914 0.091 0.000 3.563 291 V HA 0.127 4.246 4.120 -0.001 0.000 0.299 291 V C 0.158 176.313 176.094 0.102 0.000 1.290 291 V CA 0.137 62.490 62.300 0.089 0.000 1.201 291 V CB -1.374 30.506 31.823 0.096 0.000 1.045 291 V HN 0.438 nan 8.190 nan 0.000 0.425 292 N N 0.611 119.385 118.700 0.123 0.000 2.707 292 N HA -0.206 4.534 4.740 -0.001 0.000 0.253 292 N C 0.494 176.081 175.510 0.127 0.000 0.998 292 N CA 0.241 53.379 53.050 0.147 0.000 0.751 292 N CB -0.691 37.868 38.487 0.119 0.000 0.920 292 N HN 0.973 nan 8.380 nan 0.000 0.539 293 A N 0.196 123.116 122.820 0.167 0.000 2.351 293 A HA 0.608 4.927 4.320 -0.001 0.000 0.257 293 A C 0.196 177.858 177.584 0.131 0.000 1.087 293 A CA 0.139 52.260 52.037 0.139 0.000 0.798 293 A CB 0.931 20.159 19.000 0.380 0.000 1.033 293 A HN 0.238 nan 8.150 nan 0.000 0.488 294 S N 0.349 115.943 115.700 -0.178 0.000 2.776 294 S HA 0.667 5.137 4.470 -0.001 0.000 0.284 294 S C -1.331 172.980 174.600 -0.482 0.000 1.160 294 S CA -0.244 57.885 58.200 -0.119 0.000 1.051 294 S CB 0.299 63.474 63.200 -0.041 0.000 1.037 294 S HN 0.484 nan 8.310 nan 0.000 0.485 295 F N 0.310 120.025 119.950 -0.392 0.000 2.664 295 F HA 0.585 5.112 4.527 -0.000 0.000 0.329 295 F C 0.576 175.926 175.800 -0.751 0.000 1.090 295 F CA -1.027 56.583 58.000 -0.650 0.000 0.978 295 F CB 1.046 39.433 39.000 -1.022 0.000 1.378 295 F HN 0.170 nan 8.300 nan 0.000 0.495 296 T N 1.099 115.397 114.554 -0.426 0.000 2.743 296 T HA 0.269 4.618 4.350 -0.001 0.000 0.292 296 T C -1.103 173.355 174.700 -0.404 0.000 0.972 296 T CA -0.342 61.553 62.100 -0.340 0.000 0.967 296 T CB -0.152 68.527 68.868 -0.315 0.000 0.926 296 T HN 0.289 nan 8.240 nan 0.000 0.459 297 W N 2.216 123.498 121.300 -0.031 0.000 2.376 297 W HA 0.568 5.228 4.660 -0.001 0.000 0.322 297 W C -0.428 175.979 176.519 -0.186 0.000 1.160 297 W CA -0.924 56.362 57.345 -0.097 0.000 1.218 297 W CB 0.826 30.256 29.460 -0.050 0.000 1.205 297 W HN 0.215 nan 8.180 nan 0.000 0.559 298 V N 3.577 123.526 119.914 0.058 0.000 2.380 298 V HA 0.597 4.717 4.120 -0.001 0.000 0.272 298 V C 0.011 176.047 176.094 -0.097 0.000 1.011 298 V CA -0.929 61.355 62.300 -0.027 0.000 0.826 298 V CB 0.205 32.045 31.823 0.028 0.000 1.040 298 V HN 0.658 nan 8.190 nan 0.000 0.441 299 A N 3.457 126.143 122.820 -0.223 0.000 2.320 299 A HA 0.913 5.233 4.320 -0.001 0.000 0.334 299 A C 0.516 177.950 177.584 -0.251 0.000 1.147 299 A CA -0.233 51.675 52.037 -0.215 0.000 0.820 299 A CB 1.398 20.265 19.000 -0.223 0.000 1.218 299 A HN 0.869 nan 8.150 nan 0.000 0.482 300 S N 0.399 115.904 115.700 -0.325 0.000 2.652 300 S HA 0.169 4.639 4.470 -0.001 0.000 0.267 300 S C 0.894 175.395 174.600 -0.165 0.000 1.201 300 S CA 0.244 58.185 58.200 -0.430 0.000 0.996 300 S CB 0.413 62.905 63.200 -1.180 0.000 1.054 300 S HN 0.826 nan 8.310 nan 0.000 0.561 301 D N -0.018 120.336 120.400 -0.077 0.000 2.311 301 D HA -0.105 4.534 4.640 -0.001 0.000 0.212 301 D C 1.776 178.069 176.300 -0.012 0.000 0.972 301 D CA 1.307 55.309 54.000 0.003 0.000 0.887 301 D CB -1.133 39.709 40.800 0.070 0.000 0.915 301 D HN 0.692 nan 8.370 nan 0.000 0.497 302 G N 0.281 109.092 108.800 0.018 0.000 2.469 302 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.219 302 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.219 302 G C 1.293 176.209 174.900 0.027 0.000 1.150 302 G CA 0.861 45.921 45.100 -0.068 0.000 0.763 302 G HN 0.384 nan 8.290 nan 0.000 0.561 303 W N 1.585 122.807 121.300 -0.130 0.000 2.560 303 W HA 0.259 4.919 4.660 -0.001 0.000 0.303 303 W C 1.627 178.029 176.519 -0.196 0.000 1.151 303 W CA 1.563 58.826 57.345 -0.137 0.000 1.426 303 W CB -0.665 28.727 29.460 -0.113 0.000 1.135 303 W HN 0.513 nan 8.180 nan 0.000 0.522 304 G N 1.042 109.913 108.800 0.118 0.000 2.574 304 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.286 304 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.286 304 G C 0.468 175.116 174.900 -0.420 0.000 1.212 304 G CA 1.384 46.402 45.100 -0.137 0.000 0.979 304 G HN 1.113 nan 8.290 nan 0.000 0.557 305 A N -0.089 122.329 122.820 -0.671 0.000 2.827 305 A HA 0.597 4.917 4.320 -0.001 0.000 0.300 305 A C 0.649 177.731 177.584 -0.837 0.000 1.237 305 A CA 0.446 51.705 52.037 -1.297 0.000 0.964 305 A CB -0.036 18.240 19.000 -1.206 0.000 1.143 305 A HN 0.531 nan 8.150 nan 0.000 0.554 306 Q N 0.266 119.821 119.800 -0.408 0.000 2.294 306 Q HA 0.204 4.543 4.340 -0.001 0.000 0.257 306 Q C 0.077 176.156 176.000 0.131 0.000 0.955 306 Q CA -0.177 55.556 55.803 -0.117 0.000 0.936 306 Q CB 1.243 29.926 28.738 -0.093 0.000 1.188 306 Q HN 0.568 nan 8.270 nan 0.000 0.420 307 E N 0.810 121.117 120.200 0.179 0.000 2.216 307 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 307 E C 1.705 178.338 176.600 0.054 0.000 0.988 307 E CA 1.044 57.581 56.400 0.227 0.000 0.834 307 E CB 0.266 30.061 29.700 0.158 0.000 0.772 307 E HN 0.653 nan 8.360 nan 0.000 0.479 308 S N 0.479 116.172 115.700 -0.011 0.000 2.469 308 S HA -0.088 4.381 4.470 -0.001 0.000 0.238 308 S C 1.882 176.399 174.600 -0.138 0.000 0.998 308 S CA 0.506 58.663 58.200 -0.071 0.000 0.957 308 S CB -0.261 62.897 63.200 -0.069 0.000 0.764 308 S HN 0.191 nan 8.310 nan 0.000 0.514 309 I N 0.924 121.383 120.570 -0.185 0.000 2.406 309 I HA -0.027 4.143 4.170 -0.001 0.000 0.249 309 I C 1.684 177.569 176.117 -0.388 0.000 1.122 309 I CA 0.838 61.915 61.300 -0.371 0.000 1.431 309 I CB 0.022 37.629 38.000 -0.656 0.000 1.087 309 I HN 0.238 nan 8.210 nan 0.000 0.424 310 V N 0.126 119.894 119.914 -0.243 0.000 3.650 310 V HA -0.004 4.116 4.120 -0.001 0.000 0.271 310 V C 1.084 177.060 176.094 -0.197 0.000 1.281 310 V CA -0.006 62.165 62.300 -0.216 0.000 1.120 310 V CB -0.658 31.115 31.823 -0.082 0.000 0.856 310 V HN 0.250 nan 8.190 nan 0.000 0.443 311 K N 1.743 122.050 120.400 -0.156 0.000 2.453 311 K HA 0.227 4.546 4.320 -0.001 0.000 0.280 311 K C 1.186 177.701 176.600 -0.140 0.000 1.045 311 K CA 1.091 57.298 56.287 -0.133 0.000 1.059 311 K CB -0.137 32.303 32.500 -0.100 0.000 0.901 311 K HN 0.457 nan 8.250 nan 0.000 0.475 312 G N 2.595 111.317 108.800 -0.130 0.000 2.157 312 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.239 312 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.239 312 G C 0.091 174.921 174.900 -0.116 0.000 0.982 312 G CA 0.234 45.274 45.100 -0.100 0.000 0.650 312 G HN 0.602 nan 8.290 nan 0.000 0.527 313 S N -0.615 114.969 115.700 -0.193 0.000 3.029 313 S HA 0.256 4.726 4.470 -0.001 0.000 0.244 313 S C 0.993 175.367 174.600 -0.377 0.000 0.814 313 S CA 0.386 58.413 58.200 -0.287 0.000 1.148 313 S CB 0.475 63.530 63.200 -0.243 0.000 1.253 313 S HN 0.301 nan 8.310 nan 0.000 0.555 314 E N 1.984 121.949 120.200 -0.392 0.000 2.114 314 E HA -0.252 4.098 4.350 -0.001 0.000 0.199 314 E C 1.560 177.915 176.600 -0.408 0.000 1.008 314 E CA 2.191 58.195 56.400 -0.661 0.000 0.810 314 E CB -0.436 28.431 29.700 -1.389 0.000 0.739 314 E HN 0.915 nan 8.360 nan 0.000 0.456 315 H N -1.583 117.409 119.070 -0.129 0.000 2.495 315 H HA 0.063 4.619 4.556 -0.001 0.000 0.287 315 H C 1.655 177.112 175.328 0.215 0.000 1.033 315 H CA 1.004 57.131 56.048 0.131 0.000 1.307 315 H CB -0.258 29.560 29.762 0.094 0.000 1.401 315 H HN 0.020 nan 8.280 nan 0.000 0.555 316 V N 0.502 120.239 119.914 -0.295 0.000 2.591 316 V HA 0.020 4.140 4.120 -0.001 0.000 0.249 316 V C 2.396 178.703 176.094 0.356 0.000 1.053 316 V CA 1.390 63.708 62.300 0.030 0.000 1.068 316 V CB -0.460 31.319 31.823 -0.073 0.000 0.689 316 V HN 0.743 nan 8.190 nan 0.000 0.462 317 A N -1.649 121.346 122.820 0.292 0.000 2.308 317 A HA 0.182 4.502 4.320 -0.001 0.000 0.217 317 A C 0.820 178.665 177.584 0.435 0.000 1.216 317 A CA -0.346 51.983 52.037 0.487 0.000 0.864 317 A CB -0.377 18.861 19.000 0.397 0.000 0.902 317 A HN 0.485 nan 8.150 nan 0.000 0.499 318 Y N 0.853 121.330 120.300 0.294 0.000 2.811 318 Y HA 0.262 4.812 4.550 -0.001 0.000 0.334 318 Y C 1.431 177.474 175.900 0.238 0.000 1.247 318 Y CA 1.202 59.482 58.100 0.299 0.000 1.526 318 Y CB 0.223 38.889 38.460 0.343 0.000 1.284 318 Y HN 0.562 nan 8.280 nan 0.000 0.586 319 G N 2.936 111.333 108.800 -0.672 0.000 2.179 319 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.260 319 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.260 319 G C 0.355 175.167 174.900 -0.146 0.000 0.977 319 G CA 0.150 44.953 45.100 -0.496 0.000 0.641 319 G HN 1.392 nan 8.290 nan 0.000 0.533 320 A N -0.141 122.677 122.820 -0.003 0.000 2.483 320 A HA 0.596 4.916 4.320 -0.001 0.000 0.238 320 A C 0.460 178.006 177.584 -0.063 0.000 1.070 320 A CA 0.510 52.575 52.037 0.048 0.000 0.770 320 A CB 0.272 19.340 19.000 0.114 0.000 1.008 320 A HN 0.832 nan 8.150 nan 0.000 0.497 321 I N 1.717 122.253 120.570 -0.057 0.000 2.378 321 I HA 0.414 4.584 4.170 -0.001 0.000 0.291 321 I C 0.432 176.476 176.117 -0.121 0.000 0.992 321 I CA -0.156 61.126 61.300 -0.031 0.000 1.154 321 I CB 2.081 40.137 38.000 0.093 0.000 1.315 321 I HN 0.869 nan 8.210 nan 0.000 0.448 322 T N 4.808 119.308 114.554 -0.089 0.000 2.916 322 T HA 0.746 5.096 4.350 -0.001 0.000 0.292 322 T C -0.696 174.021 174.700 0.028 0.000 1.064 322 T CA -0.834 61.156 62.100 -0.184 0.000 1.011 322 T CB 1.916 70.534 68.868 -0.417 0.000 1.152 322 T HN 0.322 nan 8.240 nan 0.000 0.510 323 L N 0.709 121.927 121.223 -0.009 0.000 2.319 323 L HA 0.916 5.256 4.340 -0.001 0.000 0.267 323 L C -0.564 176.392 176.870 0.143 0.000 1.011 323 L CA -1.019 53.893 54.840 0.121 0.000 0.818 323 L CB 2.055 44.126 42.059 0.020 0.000 1.316 323 L HN 0.817 nan 8.230 nan 0.000 0.432 324 E N 1.037 121.412 120.200 0.292 0.000 2.390 324 E HA 0.423 4.772 4.350 -0.001 0.000 0.280 324 E C -1.439 175.348 176.600 0.311 0.000 0.992 324 E CA -0.614 55.918 56.400 0.220 0.000 0.790 324 E CB 1.650 31.380 29.700 0.049 0.000 1.248 324 E HN 0.415 nan 8.360 nan 0.000 0.447 325 L N 1.965 123.308 121.223 0.200 0.000 2.514 325 L HA 0.353 4.693 4.340 -0.001 0.000 0.280 325 L C 0.529 177.524 176.870 0.208 0.000 1.223 325 L CA -0.078 54.815 54.840 0.088 0.000 0.864 325 L CB 0.324 42.359 42.059 -0.040 0.000 1.118 325 L HN 0.677 nan 8.230 nan 0.000 0.494 326 A N 3.346 126.253 122.820 0.146 0.000 2.491 326 A HA 0.446 4.765 4.320 -0.001 0.000 0.261 326 A C 0.349 178.016 177.584 0.139 0.000 1.101 326 A CA 0.155 52.272 52.037 0.133 0.000 0.772 326 A CB -0.094 18.965 19.000 0.100 0.000 1.043 326 A HN 0.810 nan 8.150 nan 0.000 0.501 327 S N 2.165 117.855 115.700 -0.016 0.000 2.656 327 S HA 0.792 5.262 4.470 -0.001 0.000 0.273 327 S C -1.054 173.354 174.600 -0.320 0.000 1.168 327 S CA -0.947 57.198 58.200 -0.092 0.000 0.817 327 S CB 0.997 64.120 63.200 -0.128 0.000 1.146 327 S HN 0.790 nan 8.310 nan 0.000 0.475 328 H N 0.353 119.364 119.070 -0.099 0.000 2.806 328 H HA 0.683 5.238 4.556 -0.001 0.000 0.367 328 H C -2.780 172.507 175.328 -0.069 0.000 1.136 328 H CA -1.258 54.758 56.048 -0.053 0.000 1.178 328 H CB 1.209 30.946 29.762 -0.041 0.000 1.718 328 H HN 0.538 nan 8.280 nan 0.000 0.540 329 P HA -0.004 nan 4.420 nan 0.000 0.267 329 P C -0.390 176.947 177.300 0.062 0.000 1.200 329 P CA -0.254 62.868 63.100 0.037 0.000 0.772 329 P CB 0.957 32.682 31.700 0.042 0.000 0.855 330 V N 5.486 125.431 119.914 0.052 0.000 2.339 330 V HA 0.089 4.208 4.120 -0.001 0.000 0.261 330 V C 2.002 178.168 176.094 0.119 0.000 1.058 330 V CA -0.275 62.082 62.300 0.095 0.000 0.897 330 V CB 0.309 32.172 31.823 0.066 0.000 1.052 330 V HN 0.533 nan 8.190 nan 0.000 0.480 331 R N 2.585 123.160 120.500 0.124 0.000 2.096 331 R HA -0.201 4.138 4.340 -0.001 0.000 0.240 331 R C 1.974 178.318 176.300 0.073 0.000 1.139 331 R CA 1.674 57.840 56.100 0.109 0.000 0.952 331 R CB -0.194 30.174 30.300 0.114 0.000 0.854 331 R HN 0.729 nan 8.270 nan 0.000 0.436 332 Q N -0.671 119.174 119.800 0.075 0.000 2.364 332 Q HA -0.146 4.194 4.340 -0.001 0.000 0.209 332 Q C 1.660 177.515 176.000 -0.241 0.000 0.977 332 Q CA 0.919 56.733 55.803 0.018 0.000 0.885 332 Q CB -0.077 28.735 28.738 0.124 0.000 0.941 332 Q HN 0.237 nan 8.270 nan 0.000 0.464 333 F N 0.754 120.394 119.950 -0.517 0.000 2.293 333 F HA -0.106 4.421 4.527 -0.000 0.000 0.297 333 F C 1.436 177.085 175.800 -0.253 0.000 1.089 333 F CA 1.017 58.534 58.000 -0.806 0.000 1.377 333 F CB 0.088 38.681 39.000 -0.677 0.000 1.051 333 F HN 0.056 nan 8.300 nan 0.000 0.511 334 D N 0.338 120.665 120.400 -0.122 0.000 2.117 334 D HA -0.204 4.436 4.640 -0.001 0.000 0.197 334 D C 2.369 178.583 176.300 -0.142 0.000 0.987 334 D CA 1.041 55.039 54.000 -0.002 0.000 0.829 334 D CB -0.417 40.494 40.800 0.185 0.000 0.961 334 D HN 0.295 nan 8.370 nan 0.000 0.460 335 R N -0.227 120.206 120.500 -0.111 0.000 2.070 335 R HA -0.200 4.139 4.340 -0.001 0.000 0.233 335 R C 2.409 178.614 176.300 -0.158 0.000 1.137 335 R CA 1.131 57.180 56.100 -0.085 0.000 0.945 335 R CB -0.616 29.676 30.300 -0.012 0.000 0.845 335 R HN 0.218 nan 8.270 nan 0.000 0.430 336 Y N 0.398 120.499 120.300 -0.331 0.000 2.097 336 Y HA -0.294 4.256 4.550 -0.001 0.000 0.282 336 Y C 1.980 177.653 175.900 -0.378 0.000 1.152 336 Y CA 2.107 60.010 58.100 -0.328 0.000 1.136 336 Y CB -0.735 37.467 38.460 -0.430 0.000 0.975 336 Y HN 0.124 nan 8.280 nan 0.000 0.498 337 F N 1.164 120.576 119.950 -0.895 0.000 2.146 337 F HA -0.180 4.347 4.527 -0.001 0.000 0.298 337 F C 2.301 177.741 175.800 -0.601 0.000 1.096 337 F CA 2.020 59.493 58.000 -0.879 0.000 1.275 337 F CB -0.560 37.809 39.000 -1.053 0.000 1.008 337 F HN 0.163 nan 8.300 nan 0.000 0.480 338 Q N -0.808 118.706 119.800 -0.477 0.000 2.436 338 Q HA -0.113 4.227 4.340 -0.001 0.000 0.209 338 Q C 2.142 177.997 176.000 -0.242 0.000 0.965 338 Q CA 1.216 56.818 55.803 -0.334 0.000 0.910 338 Q CB -0.242 28.391 28.738 -0.175 0.000 0.980 338 Q HN 0.474 nan 8.270 nan 0.000 0.491 339 S N -0.451 115.063 115.700 -0.311 0.000 2.558 339 S HA 0.085 4.555 4.470 -0.001 0.000 0.217 339 S C 0.697 175.124 174.600 -0.287 0.000 0.975 339 S CA -0.278 57.778 58.200 -0.240 0.000 0.912 339 S CB -0.010 63.054 63.200 -0.227 0.000 0.776 339 S HN 0.154 nan 8.310 nan 0.000 0.526 340 L N 3.643 124.617 121.223 -0.416 0.000 2.380 340 L HA 0.434 4.774 4.340 -0.001 0.000 0.273 340 L C 0.274 177.067 176.870 -0.129 0.000 1.138 340 L CA -0.354 54.217 54.840 -0.448 0.000 0.832 340 L CB 0.341 41.969 42.059 -0.719 0.000 1.124 340 L HN 0.541 nan 8.230 nan 0.000 0.454 341 N N 2.427 120.973 118.700 -0.257 0.000 2.708 341 N HA 0.321 5.060 4.740 -0.001 0.000 0.257 341 N C -2.702 172.522 175.510 -0.478 0.000 1.373 341 N CA -1.597 51.276 53.050 -0.295 0.000 0.843 341 N CB 2.189 40.558 38.487 -0.196 0.000 1.503 341 N HN 0.119 nan 8.380 nan 0.000 0.504 342 P HA -0.160 nan 4.420 nan 0.000 0.222 342 P C 0.546 177.303 177.300 -0.905 0.000 1.142 342 P CA 1.423 64.040 63.100 -0.805 0.000 0.788 342 P CB -0.106 30.922 31.700 -1.121 0.000 0.767 343 Y N 1.373 121.410 120.300 -0.438 0.000 2.347 343 Y HA -0.035 4.515 4.550 -0.001 0.000 0.294 343 Y C 2.205 177.823 175.900 -0.469 0.000 1.117 343 Y CA 1.191 59.063 58.100 -0.381 0.000 1.184 343 Y CB -1.321 36.986 38.460 -0.255 0.000 1.047 343 Y HN 0.117 nan 8.280 nan 0.000 0.546 344 N N -1.055 117.467 118.700 -0.297 0.000 2.236 344 N HA -0.020 4.720 4.740 -0.001 0.000 0.196 344 N C -0.135 175.145 175.510 -0.383 0.000 1.114 344 N CA 0.254 53.133 53.050 -0.286 0.000 0.859 344 N CB -0.141 38.229 38.487 -0.193 0.000 0.982 344 N HN 0.036 nan 8.380 nan 0.000 0.493 345 N N 0.344 118.713 118.700 -0.552 0.000 2.914 345 N HA 0.096 4.836 4.740 -0.001 0.000 0.304 345 N C -0.236 175.049 175.510 -0.374 0.000 1.727 345 N CA -0.269 52.461 53.050 -0.534 0.000 0.986 345 N CB -0.207 37.701 38.487 -0.964 0.000 1.297 345 N HN 0.160 nan 8.380 nan 0.000 0.490 346 H N 0.250 119.234 119.070 -0.143 0.000 2.535 346 H HA 0.051 4.607 4.556 -0.001 0.000 0.273 346 H C 1.547 176.842 175.328 -0.055 0.000 0.983 346 H CA 0.642 56.639 56.048 -0.086 0.000 1.238 346 H CB 0.496 30.216 29.762 -0.070 0.000 1.412 346 H HN 0.568 nan 8.280 nan 0.000 0.562 347 R N 0.682 121.216 120.500 0.057 0.000 2.235 347 R HA -0.045 4.295 4.340 -0.001 0.000 0.213 347 R C 0.387 176.731 176.300 0.073 0.000 1.059 347 R CA 0.599 56.731 56.100 0.054 0.000 0.997 347 R CB -0.034 30.297 30.300 0.051 0.000 0.884 347 R HN -0.068 nan 8.270 nan 0.000 0.462 348 N N 2.329 121.077 118.700 0.080 0.000 2.589 348 N HA 0.123 4.863 4.740 -0.001 0.000 0.232 348 N C -1.842 173.769 175.510 0.168 0.000 1.015 348 N CA -2.669 50.495 53.050 0.190 0.000 0.931 348 N CB 1.521 40.142 38.487 0.223 0.000 1.150 348 N HN -0.006 nan 8.380 nan 0.000 0.512 349 P HA -0.058 nan 4.420 nan 0.000 0.228 349 P C 0.602 177.805 177.300 -0.162 0.000 1.151 349 P CA 0.922 63.900 63.100 -0.204 0.000 0.770 349 P CB 0.113 31.513 31.700 -0.500 0.000 0.786 350 W N -2.395 119.020 121.300 0.190 0.000 3.211 350 W HA 0.169 4.829 4.660 -0.001 0.000 0.292 350 W C 1.673 178.354 176.519 0.270 0.000 1.268 350 W CA -0.479 56.985 57.345 0.198 0.000 1.702 350 W CB -0.826 28.739 29.460 0.174 0.000 1.092 350 W HN -0.107 nan 8.180 nan 0.000 0.643 351 F N 1.990 122.139 119.950 0.332 0.000 2.126 351 F HA -0.220 4.306 4.527 -0.001 0.000 0.299 351 F C 2.436 178.454 175.800 0.364 0.000 1.096 351 F CA 1.871 60.071 58.000 0.333 0.000 1.255 351 F CB -0.244 38.857 39.000 0.168 0.000 0.997 351 F HN -0.257 nan 8.300 nan 0.000 0.479 352 R N -0.025 120.654 120.500 0.298 0.000 2.083 352 R HA -0.180 4.160 4.340 -0.001 0.000 0.237 352 R C 1.905 178.304 176.300 0.166 0.000 1.137 352 R CA 1.694 57.895 56.100 0.167 0.000 0.951 352 R CB -0.731 29.631 30.300 0.103 0.000 0.851 352 R HN 0.269 nan 8.270 nan 0.000 0.434 353 D N 0.289 120.800 120.400 0.185 0.000 2.117 353 D HA -0.181 4.459 4.640 -0.001 0.000 0.197 353 D C 1.602 177.980 176.300 0.130 0.000 0.987 353 D CA 0.999 55.093 54.000 0.156 0.000 0.829 353 D CB -0.295 40.622 40.800 0.195 0.000 0.961 353 D HN 0.103 nan 8.370 nan 0.000 0.460 354 F N 0.710 120.685 119.950 0.042 0.000 2.069 354 F HA -0.197 4.330 4.527 -0.001 0.000 0.298 354 F C 2.302 178.036 175.800 -0.111 0.000 1.113 354 F CA 1.483 59.449 58.000 -0.057 0.000 1.214 354 F CB -0.453 38.473 39.000 -0.123 0.000 0.978 354 F HN 0.050 nan 8.300 nan 0.000 0.474 355 W N 1.852 122.813 121.300 -0.566 0.000 2.335 355 W HA -0.218 4.442 4.660 -0.001 0.000 0.311 355 W C 2.136 178.513 176.519 -0.236 0.000 1.213 355 W CA 2.344 59.402 57.345 -0.478 0.000 1.274 355 W CB -0.539 28.787 29.460 -0.224 0.000 1.148 355 W HN 0.217 nan 8.180 nan 0.000 0.498 356 E N -0.303 119.942 120.200 0.074 0.000 2.153 356 E HA -0.304 4.046 4.350 -0.001 0.000 0.194 356 E C 2.118 178.660 176.600 -0.098 0.000 0.988 356 E CA 1.406 57.827 56.400 0.035 0.000 0.811 356 E CB -0.402 29.338 29.700 0.067 0.000 0.746 356 E HN 0.435 nan 8.360 nan 0.000 0.466 357 Q N 1.095 120.781 119.800 -0.189 0.000 2.163 357 Q HA -0.127 4.213 4.340 -0.001 0.000 0.198 357 Q C 2.133 177.917 176.000 -0.359 0.000 0.954 357 Q CA 0.917 56.594 55.803 -0.211 0.000 0.851 357 Q CB 0.143 28.789 28.738 -0.154 0.000 0.928 357 Q HN 0.018 nan 8.270 nan 0.000 0.459 358 K N -0.306 119.699 120.400 -0.659 0.000 2.026 358 K HA -0.121 4.198 4.320 -0.001 0.000 0.208 358 K C 1.067 177.143 176.600 -0.873 0.000 1.048 358 K CA 1.397 57.139 56.287 -0.909 0.000 0.929 358 K CB -0.044 31.537 32.500 -1.531 0.000 0.713 358 K HN 0.206 nan 8.250 nan 0.000 0.439 359 F N 1.277 120.930 119.950 -0.495 0.000 2.727 359 F HA 0.191 4.718 4.527 -0.001 0.000 0.302 359 F C -0.088 175.577 175.800 -0.225 0.000 1.097 359 F CA -0.414 57.358 58.000 -0.380 0.000 1.330 359 F CB 0.531 39.225 39.000 -0.510 0.000 1.084 359 F HN -0.001 nan 8.300 nan 0.000 0.578 360 Q N -0.398 119.355 119.800 -0.079 0.000 2.459 360 Q HA -0.205 4.135 4.340 -0.001 0.000 0.322 360 Q C 0.170 176.175 176.000 0.008 0.000 1.427 360 Q CA 0.395 56.174 55.803 -0.040 0.000 0.861 360 Q CB -2.287 26.430 28.738 -0.035 0.000 1.137 360 Q HN 0.473 nan 8.270 nan 0.000 0.394 361 c N -0.266 118.351 118.600 0.029 0.000 2.062 361 c HA 0.755 5.325 4.570 -0.001 0.000 0.333 361 c C 1.058 175.184 174.090 0.059 0.000 2.881 361 c CA 0.035 56.407 56.329 0.071 0.000 1.825 361 c CB 1.497 44.100 42.510 0.154 0.000 2.184 361 c HN 0.727 nan 8.230 nan 0.000 0.359 362 S N -1.070 114.679 115.700 0.081 0.000 2.798 362 S HA 0.350 4.819 4.470 -0.001 0.000 0.291 362 S C -0.819 173.820 174.600 0.064 0.000 0.894 362 S CA -0.548 57.688 58.200 0.060 0.000 0.838 362 S CB 0.249 63.473 63.200 0.039 0.000 1.047 362 S HN 0.494 nan 8.310 nan 0.000 0.482 363 L N 0.927 122.178 121.223 0.047 0.000 3.944 363 L HA 0.614 4.954 4.340 -0.001 0.000 0.198 363 L C -0.002 176.883 176.870 0.024 0.000 1.162 363 L CA 0.166 55.027 54.840 0.035 0.000 1.054 363 L CB -1.071 40.997 42.059 0.015 0.000 1.673 363 L HN 0.618 nan 8.230 nan 0.000 0.737 372 V N 1.607 121.538 119.914 0.028 0.000 3.367 372 V HA 0.065 4.185 4.120 -0.001 0.000 0.304 372 V C -0.212 175.909 176.094 0.045 0.000 1.131 372 V CA 0.609 62.931 62.300 0.037 0.000 1.233 372 V CB 1.079 32.920 31.823 0.031 0.000 1.021 372 V HN 0.920 nan 8.190 nan 0.000 0.497 373 c N 4.610 123.249 118.600 0.064 0.000 2.382 373 c HA 0.348 4.917 4.570 -0.001 0.000 0.327 373 c C -0.062 174.068 174.090 0.068 0.000 1.250 373 c CA -0.920 55.453 56.329 0.074 0.000 1.707 373 c CB 0.813 43.401 42.510 0.132 0.000 2.272 373 c HN 0.990 nan 8.230 nan 0.000 0.506 374 D N 2.312 122.737 120.400 0.041 0.000 2.502 374 D HA -0.030 4.609 4.640 -0.001 0.000 0.249 374 D C 0.921 177.241 176.300 0.033 0.000 1.188 374 D CA 0.572 54.594 54.000 0.036 0.000 0.890 374 D CB 0.712 41.534 40.800 0.038 0.000 1.140 374 D HN 0.552 nan 8.370 nan 0.000 0.505 375 K N 2.731 123.106 120.400 -0.042 0.000 2.585 375 K HA -0.126 4.193 4.320 -0.001 0.000 0.194 375 K C 0.855 177.297 176.600 -0.263 0.000 1.037 375 K CA 0.645 56.855 56.287 -0.130 0.000 0.964 375 K CB 0.204 32.532 32.500 -0.287 0.000 0.787 375 K HN 0.504 nan 8.250 nan 0.000 0.488 376 H N -0.081 118.994 119.070 0.009 0.000 2.549 376 H HA 0.109 4.665 4.556 -0.001 0.000 0.279 376 H C 0.278 175.600 175.328 -0.010 0.000 1.018 376 H CA -0.276 55.767 56.048 -0.008 0.000 1.175 376 H CB 0.352 30.099 29.762 -0.025 0.000 1.485 376 H HN -0.018 nan 8.280 nan 0.000 0.543 377 L N 1.409 122.660 121.223 0.046 0.000 2.483 377 L HA 0.319 4.659 4.340 -0.001 0.000 0.275 377 L C 0.670 177.536 176.870 -0.006 0.000 1.220 377 L CA 0.193 54.912 54.840 -0.201 0.000 0.833 377 L CB 0.234 41.852 42.059 -0.735 0.000 1.102 377 L HN 0.192 nan 8.230 nan 0.000 0.490 378 A N 3.487 126.242 122.820 -0.110 0.000 2.604 378 A HA 0.626 4.946 4.320 -0.001 0.000 0.295 378 A C -0.867 176.830 177.584 0.189 0.000 1.067 378 A CA -0.614 51.518 52.037 0.159 0.000 0.683 378 A CB 0.861 19.944 19.000 0.138 0.000 1.281 378 A HN 0.496 nan 8.150 nan 0.000 0.407 379 I N 2.612 123.326 120.570 0.240 0.000 2.379 379 I HA 0.378 4.548 4.170 -0.001 0.000 0.290 379 I C -0.278 175.906 176.117 0.112 0.000 1.063 379 I CA 0.300 61.702 61.300 0.169 0.000 1.351 379 I CB 0.483 38.481 38.000 -0.004 0.000 1.410 379 I HN 0.824 nan 8.210 nan 0.000 0.505 380 D N 2.388 122.894 120.400 0.176 0.000 2.752 380 D HA 0.147 4.786 4.640 -0.001 0.000 0.313 380 D C 0.652 177.092 176.300 0.234 0.000 1.225 380 D CA -0.548 53.553 54.000 0.168 0.000 0.976 380 D CB 0.566 41.436 40.800 0.116 0.000 1.443 380 D HN 0.294 nan 8.370 nan 0.000 0.515 381 S N -0.944 114.869 115.700 0.187 0.000 2.488 381 S HA -0.204 4.266 4.470 -0.001 0.000 0.246 381 S C 1.527 176.200 174.600 0.122 0.000 0.992 381 S CA 1.414 59.712 58.200 0.164 0.000 0.963 381 S CB -0.859 62.409 63.200 0.114 0.000 0.754 381 S HN 0.663 nan 8.310 nan 0.000 0.519 382 S N 1.661 117.431 115.700 0.117 0.000 2.535 382 S HA 0.123 4.592 4.470 -0.001 0.000 0.214 382 S C 0.906 175.559 174.600 0.089 0.000 0.980 382 S CA 0.167 58.419 58.200 0.087 0.000 0.907 382 S CB -0.373 62.870 63.200 0.071 0.000 0.790 382 S HN 0.757 nan 8.310 nan 0.000 0.510 383 N N -0.477 118.299 118.700 0.128 0.000 2.116 383 N HA 0.199 4.939 4.740 -0.001 0.000 0.230 383 N C -0.585 175.030 175.510 0.175 0.000 1.326 383 N CA -0.612 52.502 53.050 0.105 0.000 0.867 383 N CB -0.119 38.415 38.487 0.078 0.000 1.174 383 N HN 0.519 nan 8.380 nan 0.000 0.506 384 Y N 0.524 120.873 120.300 0.081 0.000 2.492 384 Y HA 0.638 5.188 4.550 -0.001 0.000 0.346 384 Y C -1.602 174.354 175.900 0.095 0.000 0.997 384 Y CA -1.060 57.113 58.100 0.122 0.000 1.025 384 Y CB 1.823 40.412 38.460 0.215 0.000 1.263 384 Y HN 0.104 nan 8.280 nan 0.000 0.454 385 E N 5.182 124.891 120.200 -0.819 0.000 2.278 385 E HA 0.185 4.535 4.350 -0.001 0.000 0.272 385 E C -1.591 174.509 176.600 -0.834 0.000 0.890 385 E CA -0.847 55.096 56.400 -0.762 0.000 0.770 385 E CB 1.682 31.209 29.700 -0.289 0.000 1.212 385 E HN 0.856 nan 8.360 nan 0.000 0.415 386 Q N 3.293 122.647 119.800 -0.743 0.000 2.269 386 Q HA -0.093 4.247 4.340 -0.001 0.000 0.300 386 Q C -0.075 175.818 176.000 -0.178 0.000 1.070 386 Q CA 0.366 56.012 55.803 -0.261 0.000 0.957 386 Q CB 0.695 29.423 28.738 -0.017 0.000 1.131 386 Q HN 0.473 nan 8.270 nan 0.000 0.377 387 E N 2.641 122.763 120.200 -0.130 0.000 2.452 387 E HA -0.098 4.252 4.350 -0.001 0.000 0.261 387 E C 0.331 176.862 176.600 -0.115 0.000 0.987 387 E CA 0.376 56.701 56.400 -0.125 0.000 0.926 387 E CB 1.248 30.876 29.700 -0.120 0.000 0.934 387 E HN 0.857 nan 8.360 nan 0.000 0.452 388 S N 3.813 119.448 115.700 -0.108 0.000 2.392 388 S HA -0.178 4.292 4.470 -0.001 0.000 0.232 388 S C 1.203 175.808 174.600 0.009 0.000 1.041 388 S CA 1.604 59.759 58.200 -0.075 0.000 1.026 388 S CB 0.092 63.227 63.200 -0.108 0.000 0.845 388 S HN 0.483 nan 8.310 nan 0.000 0.465 389 K N 0.434 120.868 120.400 0.057 0.000 2.387 389 K HA 0.202 4.522 4.320 -0.001 0.000 0.198 389 K C 1.315 177.968 176.600 0.089 0.000 1.022 389 K CA -0.249 56.183 56.287 0.243 0.000 1.128 389 K CB 0.109 32.799 32.500 0.318 0.000 0.853 389 K HN 0.331 nan 8.250 nan 0.000 0.523 390 I N 1.765 122.267 120.570 -0.113 0.000 2.185 390 I HA -0.357 3.813 4.170 -0.001 0.000 0.246 390 I C 2.341 178.323 176.117 -0.225 0.000 1.088 390 I CA 1.641 62.778 61.300 -0.273 0.000 1.347 390 I CB -0.759 36.964 38.000 -0.462 0.000 1.041 390 I HN 0.372 nan 8.210 nan 0.000 0.415 391 M N 0.203 119.653 119.600 -0.251 0.000 2.106 391 M HA -0.290 4.190 4.480 -0.001 0.000 0.259 391 M C 2.376 178.517 176.300 -0.266 0.000 1.068 391 M CA 2.163 57.278 55.300 -0.308 0.000 1.100 391 M CB -0.269 32.035 32.600 -0.493 0.000 1.351 391 M HN 0.062 nan 8.290 nan 0.000 0.404 392 F N -0.824 119.141 119.950 0.026 0.000 2.234 392 F HA -0.157 4.369 4.527 -0.001 0.000 0.299 392 F C 2.160 178.049 175.800 0.148 0.000 1.087 392 F CA 0.783 58.838 58.000 0.091 0.000 1.340 392 F CB -0.642 38.434 39.000 0.127 0.000 1.031 392 F HN -0.038 nan 8.300 nan 0.000 0.500 393 V N -0.602 119.443 119.914 0.218 0.000 2.307 393 V HA -0.229 3.890 4.120 -0.001 0.000 0.245 393 V C 2.268 178.457 176.094 0.160 0.000 1.045 393 V CA 1.423 63.790 62.300 0.113 0.000 1.024 393 V CB -0.610 31.109 31.823 -0.173 0.000 0.651 393 V HN 0.143 nan 8.190 nan 0.000 0.449 394 V N 0.874 120.851 119.914 0.105 0.000 2.295 394 V HA -0.249 3.871 4.120 -0.001 0.000 0.246 394 V C 2.300 178.558 176.094 0.272 0.000 1.049 394 V CA 2.242 64.669 62.300 0.212 0.000 1.024 394 V CB -0.897 31.044 31.823 0.197 0.000 0.648 394 V HN 0.571 nan 8.190 nan 0.000 0.447 395 N N 0.435 119.232 118.700 0.160 0.000 2.309 395 N HA -0.071 4.669 4.740 -0.001 0.000 0.182 395 N C 1.799 177.468 175.510 0.266 0.000 1.018 395 N CA 1.453 54.597 53.050 0.156 0.000 0.876 395 N CB -0.480 38.035 38.487 0.046 0.000 0.972 395 N HN 0.507 nan 8.380 nan 0.000 0.434 396 A N 0.563 123.563 122.820 0.299 0.000 1.898 396 A HA -0.059 4.260 4.320 -0.001 0.000 0.216 396 A C 2.435 180.186 177.584 0.277 0.000 1.181 396 A CA 1.206 53.440 52.037 0.327 0.000 0.620 396 A CB -0.714 18.494 19.000 0.347 0.000 0.819 396 A HN 0.092 nan 8.150 nan 0.000 0.442 397 V N -1.591 118.475 119.914 0.255 0.000 2.358 397 V HA -0.265 3.855 4.120 -0.001 0.000 0.246 397 V C 2.358 178.530 176.094 0.131 0.000 1.047 397 V CA 1.911 64.307 62.300 0.161 0.000 1.035 397 V CB -1.063 30.841 31.823 0.135 0.000 0.658 397 V HN 0.637 nan 8.190 nan 0.000 0.452 398 Y N 0.618 120.996 120.300 0.130 0.000 2.224 398 Y HA -0.154 4.396 4.550 -0.001 0.000 0.289 398 Y C 2.494 178.556 175.900 0.269 0.000 1.146 398 Y CA 1.303 59.498 58.100 0.160 0.000 1.182 398 Y CB -0.722 37.826 38.460 0.147 0.000 0.983 398 Y HN 0.191 nan 8.280 nan 0.000 0.524 399 A N -0.486 122.579 122.820 0.410 0.000 1.902 399 A HA -0.267 4.052 4.320 -0.001 0.000 0.217 399 A C 2.227 180.037 177.584 0.376 0.000 1.181 399 A CA 2.030 54.352 52.037 0.474 0.000 0.623 399 A CB -0.771 18.631 19.000 0.669 0.000 0.818 399 A HN 0.453 nan 8.150 nan 0.000 0.443 400 M N 0.026 119.711 119.600 0.141 0.000 2.117 400 M HA -0.008 4.471 4.480 -0.001 0.000 0.262 400 M C 2.161 178.460 176.300 -0.001 0.000 1.065 400 M CA 1.710 56.957 55.300 -0.088 0.000 1.114 400 M CB -0.501 32.023 32.600 -0.127 0.000 1.361 400 M HN 0.384 nan 8.290 nan 0.000 0.408 401 A N -0.741 122.083 122.820 0.007 0.000 1.858 401 A HA -0.223 4.097 4.320 -0.001 0.000 0.216 401 A C 2.157 179.749 177.584 0.014 0.000 1.190 401 A CA 1.953 53.952 52.037 -0.064 0.000 0.617 401 A CB -1.403 17.451 19.000 -0.244 0.000 0.827 401 A HN 0.692 nan 8.150 nan 0.000 0.443 402 H N -0.556 118.574 119.070 0.099 0.000 2.387 402 H HA -0.092 4.464 4.556 -0.001 0.000 0.299 402 H C 2.524 177.965 175.328 0.188 0.000 1.099 402 H CA 1.484 57.627 56.048 0.158 0.000 1.315 402 H CB -0.248 29.614 29.762 0.167 0.000 1.380 402 H HN 0.545 nan 8.280 nan 0.000 0.513 403 A N 0.921 123.916 122.820 0.292 0.000 1.898 403 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 403 A C 2.691 180.357 177.584 0.136 0.000 1.181 403 A CA 0.875 53.049 52.037 0.229 0.000 0.620 403 A CB -0.769 18.371 19.000 0.233 0.000 0.819 403 A HN 0.253 nan 8.150 nan 0.000 0.442 404 L N -1.566 119.711 121.223 0.091 0.000 2.056 404 L HA -0.186 4.154 4.340 -0.001 0.000 0.207 404 L C 2.625 179.534 176.870 0.066 0.000 1.078 404 L CA 1.736 56.608 54.840 0.054 0.000 0.749 404 L CB -0.651 41.420 42.059 0.020 0.000 0.901 404 L HN 0.652 nan 8.230 nan 0.000 0.433 405 H N 0.521 119.595 119.070 0.006 0.000 2.319 405 H HA -0.239 4.317 4.556 -0.001 0.000 0.299 405 H C 2.314 177.664 175.328 0.035 0.000 1.092 405 H CA 2.169 58.218 56.048 0.002 0.000 1.302 405 H CB 0.090 29.834 29.762 -0.030 0.000 1.373 405 H HN 0.112 nan 8.280 nan 0.000 0.497 406 K N -0.221 120.204 120.400 0.042 0.000 2.057 406 K HA -0.181 4.138 4.320 -0.001 0.000 0.207 406 K C 2.415 178.991 176.600 -0.041 0.000 1.049 406 K CA 1.632 57.918 56.287 -0.002 0.000 0.931 406 K CB -0.201 32.363 32.500 0.107 0.000 0.714 406 K HN 0.413 nan 8.250 nan 0.000 0.440 407 M N 1.021 120.620 119.600 -0.002 0.000 2.117 407 M HA -0.240 4.239 4.480 -0.001 0.000 0.262 407 M C 2.199 178.475 176.300 -0.040 0.000 1.065 407 M CA 2.047 57.344 55.300 -0.004 0.000 1.114 407 M CB -0.110 32.502 32.600 0.021 0.000 1.361 407 M HN 0.223 nan 8.290 nan 0.000 0.408 408 Q N 0.337 120.093 119.800 -0.073 0.000 2.119 408 Q HA -0.154 4.185 4.340 -0.001 0.000 0.201 408 Q C 1.684 177.613 176.000 -0.117 0.000 0.972 408 Q CA 1.871 57.623 55.803 -0.085 0.000 0.847 408 Q CB -0.503 28.185 28.738 -0.082 0.000 0.903 408 Q HN 0.509 nan 8.270 nan 0.000 0.433 409 R N -0.333 120.051 120.500 -0.194 0.000 2.092 409 R HA -0.008 4.332 4.340 -0.001 0.000 0.231 409 R C 2.194 178.449 176.300 -0.075 0.000 1.119 409 R CA 1.752 57.758 56.100 -0.157 0.000 0.970 409 R CB -0.270 29.907 30.300 -0.206 0.000 0.864 409 R HN 0.353 nan 8.270 nan 0.000 0.440 410 T N 0.967 115.486 114.554 -0.058 0.000 2.812 410 T HA -0.002 4.347 4.350 -0.001 0.000 0.264 410 T C 1.684 176.373 174.700 -0.018 0.000 1.042 410 T CA 0.922 63.006 62.100 -0.026 0.000 1.140 410 T CB 0.058 68.919 68.868 -0.012 0.000 0.870 410 T HN 0.126 nan 8.240 nan 0.000 0.445 411 L N -0.129 121.083 121.223 -0.019 0.000 2.416 411 L HA 0.205 4.544 4.340 -0.001 0.000 0.216 411 L C 0.532 177.394 176.870 -0.013 0.000 1.098 411 L CA 0.248 55.082 54.840 -0.010 0.000 0.840 411 L CB 0.264 42.321 42.059 -0.004 0.000 0.981 411 L HN 0.228 nan 8.230 nan 0.000 0.462 412 c N 0.958 119.545 118.600 -0.023 0.000 3.094 412 c HA 0.250 4.820 4.570 -0.001 0.000 0.262 412 c C -0.718 173.358 174.090 -0.023 0.000 1.459 412 c CA -1.033 55.283 56.329 -0.020 0.000 1.570 412 c CB -0.299 42.198 42.510 -0.023 0.000 2.056 412 c HN 0.211 nan 8.230 nan 0.000 0.499 413 P HA -0.176 nan 4.420 nan 0.000 0.221 413 P C 1.014 178.309 177.300 -0.008 0.000 1.145 413 P CA 1.576 64.668 63.100 -0.013 0.000 0.795 413 P CB 0.366 32.061 31.700 -0.008 0.000 0.775 414 Q N -0.448 119.348 119.800 -0.007 0.000 2.396 414 Q HA 0.076 4.415 4.340 -0.001 0.000 0.209 414 Q C 0.715 176.713 176.000 -0.003 0.000 0.906 414 Q CA 0.699 56.500 55.803 -0.003 0.000 0.927 414 Q CB 0.396 29.133 28.738 -0.002 0.000 1.069 414 Q HN 0.357 nan 8.270 nan 0.000 0.523 415 T N -4.036 110.514 114.554 -0.006 0.000 2.841 415 T HA 0.242 4.592 4.350 -0.001 0.000 0.296 415 T C 0.690 175.385 174.700 -0.008 0.000 1.166 415 T CA -0.352 61.745 62.100 -0.005 0.000 1.007 415 T CB 1.413 70.278 68.868 -0.005 0.000 1.253 415 T HN 0.016 nan 8.240 nan 0.000 0.511 416 T N -2.267 112.284 114.554 -0.005 0.000 3.107 416 T HA 0.296 4.646 4.350 -0.001 0.000 0.249 416 T C 0.452 175.150 174.700 -0.004 0.000 1.096 416 T CA -0.103 61.997 62.100 -0.001 0.000 1.012 416 T CB -0.293 68.578 68.868 0.005 0.000 0.977 416 T HN 0.560 nan 8.240 nan 0.000 0.527 417 K N 0.891 121.287 120.400 -0.007 0.000 2.090 417 K HA 0.375 4.694 4.320 -0.001 0.000 0.250 417 K C -0.326 176.269 176.600 -0.008 0.000 1.004 417 K CA -0.953 55.330 56.287 -0.007 0.000 0.919 417 K CB 0.685 33.182 32.500 -0.006 0.000 1.045 417 K HN 0.035 nan 8.250 nan 0.000 0.471 418 L N 4.506 125.725 121.223 -0.006 0.000 2.536 418 L HA 0.021 4.361 4.340 -0.001 0.000 0.282 418 L C 0.187 177.054 176.870 -0.004 0.000 1.174 418 L CA 0.114 54.951 54.840 -0.005 0.000 0.989 418 L CB -1.256 40.801 42.059 -0.003 0.000 1.311 418 L HN 0.784 nan 8.230 nan 0.000 0.455 419 c N 2.557 121.154 118.600 -0.005 0.000 2.639 419 c HA 0.187 4.756 4.570 -0.001 0.000 0.360 419 c C 1.851 175.941 174.090 -0.000 0.000 1.351 419 c CA -0.863 55.464 56.329 -0.003 0.000 2.408 419 c CB 0.520 43.028 42.510 -0.005 0.000 2.517 419 c HN 0.768 nan 8.230 nan 0.000 0.696 420 D N 1.156 121.557 120.400 0.001 0.000 2.133 420 D HA -0.145 4.495 4.640 -0.001 0.000 0.195 420 D C 2.324 178.628 176.300 0.006 0.000 0.997 420 D CA 2.334 56.337 54.000 0.004 0.000 0.840 420 D CB -0.685 40.117 40.800 0.004 0.000 0.947 420 D HN 0.860 nan 8.370 nan 0.000 0.452 421 A N 0.184 123.007 122.820 0.005 0.000 2.084 421 A HA -0.135 4.185 4.320 -0.001 0.000 0.221 421 A C 2.033 179.622 177.584 0.009 0.000 1.161 421 A CA 1.151 53.192 52.037 0.007 0.000 0.653 421 A CB -0.370 18.632 19.000 0.004 0.000 0.802 421 A HN 0.210 nan 8.150 nan 0.000 0.457 422 M N -2.245 117.359 119.600 0.007 0.000 2.405 422 M HA 0.120 4.600 4.480 -0.001 0.000 0.292 422 M C 1.289 177.595 176.300 0.011 0.000 1.111 422 M CA 0.041 55.346 55.300 0.009 0.000 0.979 422 M CB 0.497 33.099 32.600 0.004 0.000 1.426 422 M HN 0.177 nan 8.290 nan 0.000 0.509 423 K N 1.739 122.145 120.400 0.010 0.000 2.032 423 K HA -0.019 4.300 4.320 -0.001 0.000 0.209 423 K C 0.692 177.302 176.600 0.016 0.000 1.048 423 K CA 1.085 57.379 56.287 0.011 0.000 0.927 423 K CB -0.101 32.405 32.500 0.010 0.000 0.712 423 K HN 0.485 nan 8.250 nan 0.000 0.441 424 I N -0.172 120.410 120.570 0.019 0.000 2.371 424 I HA 0.279 4.449 4.170 -0.001 0.000 0.282 424 I C -0.733 175.402 176.117 0.030 0.000 1.031 424 I CA -0.821 60.494 61.300 0.025 0.000 1.180 424 I CB 0.807 38.823 38.000 0.027 0.000 1.336 424 I HN -0.187 nan 8.210 nan 0.000 0.467 425 L N 4.692 125.935 121.223 0.033 0.000 2.485 425 L HA 0.136 4.475 4.340 -0.001 0.000 0.275 425 L C 0.502 177.406 176.870 0.056 0.000 1.207 425 L CA 0.241 55.106 54.840 0.041 0.000 0.855 425 L CB 0.284 42.367 42.059 0.040 0.000 1.114 425 L HN 0.664 nan 8.230 nan 0.000 0.485 426 D N 2.000 122.439 120.400 0.064 0.000 2.456 426 D HA 0.130 4.770 4.640 -0.001 0.000 0.219 426 D C 1.002 177.374 176.300 0.120 0.000 1.126 426 D CA -0.197 53.852 54.000 0.083 0.000 0.890 426 D CB 1.692 42.535 40.800 0.071 0.000 1.025 426 D HN 0.646 nan 8.370 nan 0.000 0.511 427 G N 3.897 112.787 108.800 0.151 0.000 2.432 427 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.219 427 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.219 427 G C 1.398 176.518 174.900 0.366 0.000 1.135 427 G CA 0.645 45.886 45.100 0.234 0.000 0.767 427 G HN 0.496 nan 8.290 nan 0.000 0.550 428 K N 0.127 120.731 120.400 0.340 0.000 2.025 428 K HA -0.065 4.254 4.320 -0.001 0.000 0.207 428 K C 2.463 179.155 176.600 0.153 0.000 1.049 428 K CA 1.352 57.794 56.287 0.259 0.000 0.933 428 K CB -0.091 32.536 32.500 0.213 0.000 0.714 428 K HN 0.090 nan 8.250 nan 0.000 0.438 429 K N 0.751 121.229 120.400 0.130 0.000 2.025 429 K HA -0.110 4.209 4.320 -0.001 0.000 0.207 429 K C 1.925 178.586 176.600 0.101 0.000 1.049 429 K CA 0.989 57.330 56.287 0.090 0.000 0.933 429 K CB -0.474 32.069 32.500 0.071 0.000 0.714 429 K HN 0.093 nan 8.250 nan 0.000 0.438 430 L N 0.025 121.325 121.223 0.128 0.000 2.013 430 L HA -0.233 4.107 4.340 -0.001 0.000 0.212 430 L C 2.050 179.022 176.870 0.170 0.000 1.073 430 L CA 1.885 56.803 54.840 0.130 0.000 0.753 430 L CB -0.879 41.255 42.059 0.124 0.000 0.890 430 L HN 0.335 nan 8.230 nan 0.000 0.432 431 Y N 0.684 121.027 120.300 0.073 0.000 2.181 431 Y HA -0.144 4.406 4.550 -0.001 0.000 0.288 431 Y C 1.459 177.368 175.900 0.015 0.000 1.146 431 Y CA 1.519 59.654 58.100 0.058 0.000 1.164 431 Y CB -0.044 38.341 38.460 -0.125 0.000 0.982 431 Y HN 0.108 nan 8.280 nan 0.000 0.515 432 K N 1.406 121.801 120.400 -0.009 0.000 3.226 432 K HA 0.023 4.343 4.320 -0.001 0.000 0.268 432 K C 0.164 176.738 176.600 -0.044 0.000 1.217 432 K CA 0.659 56.896 56.287 -0.083 0.000 1.242 432 K CB 0.094 32.590 32.500 -0.006 0.000 1.389 432 K HN 0.601 nan 8.250 nan 0.000 0.406 433 E N -1.078 119.102 120.200 -0.033 0.000 2.461 433 E HA -0.063 4.286 4.350 -0.001 0.000 0.185 433 E C 0.529 177.175 176.600 0.077 0.000 0.942 433 E CA -0.029 56.386 56.400 0.025 0.000 1.434 433 E CB 0.019 29.754 29.700 0.058 0.000 1.899 433 E HN 0.215 nan 8.360 nan 0.000 0.862 434 Y N 0.741 120.968 120.300 -0.122 0.000 2.522 434 Y HA 0.378 4.927 4.550 -0.001 0.000 0.277 434 Y C 1.288 177.098 175.900 -0.150 0.000 1.104 434 Y CA 0.564 58.601 58.100 -0.105 0.000 1.260 434 Y CB 0.151 38.512 38.460 -0.165 0.000 1.151 434 Y HN 0.089 nan 8.280 nan 0.000 0.539 435 L N 0.152 121.034 121.223 -0.569 0.000 2.201 435 L HA -0.150 4.189 4.340 -0.001 0.000 0.212 435 L C 1.636 178.403 176.870 -0.173 0.000 1.105 435 L CA 1.093 55.598 54.840 -0.559 0.000 0.775 435 L CB -0.272 41.466 42.059 -0.535 0.000 0.913 435 L HN 0.263 nan 8.230 nan 0.000 0.440 436 L N -0.873 120.283 121.223 -0.113 0.000 2.592 436 L HA 0.045 4.384 4.340 -0.001 0.000 0.227 436 L C 0.806 177.674 176.870 -0.004 0.000 1.127 436 L CA -0.271 54.543 54.840 -0.043 0.000 0.884 436 L CB -0.215 41.822 42.059 -0.036 0.000 1.065 436 L HN -0.010 nan 8.230 nan 0.000 0.457 437 K N 1.979 122.397 120.400 0.030 0.000 2.448 437 K HA 0.287 4.607 4.320 -0.001 0.000 0.278 437 K C -0.671 175.913 176.600 -0.027 0.000 1.009 437 K CA 0.658 56.978 56.287 0.055 0.000 0.995 437 K CB 0.321 32.925 32.500 0.173 0.000 0.917 437 K HN 0.025 nan 8.250 nan 0.000 0.481 438 I N 4.993 125.531 120.570 -0.054 0.000 2.571 438 I HA 0.187 4.357 4.170 -0.001 0.000 0.286 438 I C -0.839 175.207 176.117 -0.119 0.000 1.134 438 I CA -0.663 60.578 61.300 -0.098 0.000 1.052 438 I CB 1.701 39.662 38.000 -0.066 0.000 1.237 438 I HN 0.677 nan 8.210 nan 0.000 0.435 439 Q N 6.497 126.194 119.800 -0.173 0.000 2.534 439 Q HA 0.356 4.695 4.340 -0.001 0.000 0.290 439 Q C -1.896 174.027 176.000 -0.128 0.000 0.991 439 Q CA -0.712 54.968 55.803 -0.204 0.000 0.783 439 Q CB 2.794 31.206 28.738 -0.543 0.000 1.470 439 Q HN 0.441 nan 8.270 nan 0.000 0.406 440 F N 2.032 121.865 119.950 -0.195 0.000 2.467 440 F HA 0.323 4.850 4.527 -0.001 0.000 0.362 440 F C -0.099 175.583 175.800 -0.196 0.000 1.090 440 F CA 0.160 58.059 58.000 -0.168 0.000 1.202 440 F CB 0.828 39.744 39.000 -0.140 0.000 1.113 440 F HN 0.527 nan 8.300 nan 0.000 0.541 441 T N 6.412 120.442 114.554 -0.874 0.000 2.830 441 T HA 0.166 4.516 4.350 -0.001 0.000 0.282 441 T C 0.430 174.391 174.700 -1.231 0.000 1.024 441 T CA 0.597 62.170 62.100 -0.878 0.000 1.144 441 T CB -0.210 68.276 68.868 -0.637 0.000 1.035 441 T HN 0.991 nan 8.240 nan 0.000 0.507 442 A N 6.682 128.943 122.820 -0.931 0.000 2.602 442 A HA 0.038 4.358 4.320 -0.001 0.000 0.257 442 A C -0.326 176.501 177.584 -1.263 0.000 0.973 442 A CA -0.742 50.527 52.037 -1.280 0.000 0.862 442 A CB -0.512 17.592 19.000 -1.494 0.000 0.855 442 A HN 0.688 nan 8.150 nan 0.000 0.492 443 P HA -0.273 nan 4.420 nan 0.000 0.230 443 P C 0.629 177.716 177.300 -0.356 0.000 1.153 443 P CA 2.082 64.853 63.100 -0.549 0.000 0.891 443 P CB -0.347 31.047 31.700 -0.509 0.000 0.773 444 F N -1.960 117.929 119.950 -0.101 0.000 2.699 444 F HA -0.018 4.508 4.527 -0.001 0.000 0.299 444 F C 1.133 176.901 175.800 -0.053 0.000 1.316 444 F CA -0.127 57.863 58.000 -0.016 0.000 1.452 444 F CB -0.928 38.098 39.000 0.043 0.000 1.098 444 F HN -0.011 nan 8.300 nan 0.000 0.543 445 N N 1.831 120.527 118.700 -0.007 0.000 2.533 445 N HA 0.183 4.923 4.740 -0.001 0.000 0.289 445 N C -3.017 172.574 175.510 0.134 0.000 1.103 445 N CA -1.671 51.376 53.050 -0.006 0.000 0.877 445 N CB 2.341 40.722 38.487 -0.177 0.000 1.419 445 N HN -0.189 nan 8.380 nan 0.000 0.517 446 P HA 0.064 nan 4.420 nan 0.000 0.270 446 P C -0.015 177.318 177.300 0.055 0.000 1.223 446 P CA 0.119 63.261 63.100 0.070 0.000 0.785 446 P CB 0.656 32.374 31.700 0.030 0.000 0.923 447 N N 1.211 119.917 118.700 0.011 0.000 6.746 447 N HA -0.258 4.482 4.740 -0.001 0.000 0.415 447 N C -0.511 174.989 175.510 -0.016 0.000 0.941 447 N CA 1.455 54.484 53.050 -0.035 0.000 1.510 447 N CB -1.386 37.077 38.487 -0.040 0.000 0.796 447 N HN 0.631 nan 8.380 nan 0.000 0.371 448 K N -2.228 118.136 120.400 -0.060 0.000 2.612 448 K HA 0.244 4.563 4.320 -0.001 0.000 0.199 448 K C 1.246 177.824 176.600 -0.038 0.000 1.520 448 K CA 0.181 56.445 56.287 -0.039 0.000 1.039 448 K CB 0.717 33.082 32.500 -0.224 0.000 1.286 448 K HN 0.564 nan 8.250 nan 0.000 0.622 449 G N 1.244 110.015 108.800 -0.048 0.000 2.426 449 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.214 449 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.214 449 G C 1.090 175.967 174.900 -0.038 0.000 1.156 449 G CA 0.539 45.613 45.100 -0.044 0.000 0.802 449 G HN 0.217 nan 8.290 nan 0.000 0.534 450 A N 1.113 123.906 122.820 -0.045 0.000 2.604 450 A HA 0.320 4.640 4.320 -0.001 0.000 0.248 450 A C 0.763 178.321 177.584 -0.043 0.000 1.466 450 A CA 0.329 52.336 52.037 -0.050 0.000 1.222 450 A CB -0.769 18.179 19.000 -0.086 0.000 0.945 450 A HN 0.329 nan 8.150 nan 0.000 0.600 451 D N 0.579 120.962 120.400 -0.029 0.000 2.810 451 D HA -0.160 4.480 4.640 -0.001 0.000 0.224 451 D C 0.453 176.736 176.300 -0.028 0.000 1.222 451 D CA 1.171 55.156 54.000 -0.024 0.000 0.698 451 D CB -0.941 39.844 40.800 -0.025 0.000 0.961 451 D HN 0.623 nan 8.370 nan 0.000 0.403 452 S N 0.716 116.411 115.700 -0.009 0.000 2.704 452 S HA 0.363 4.832 4.470 -0.001 0.000 0.241 452 S C 0.908 175.488 174.600 -0.033 0.000 1.264 452 S CA -0.872 57.310 58.200 -0.031 0.000 1.236 452 S CB -0.488 62.714 63.200 0.004 0.000 0.928 452 S HN 0.454 nan 8.310 nan 0.000 0.492 453 I N -0.907 119.634 120.570 -0.048 0.000 2.493 453 I HA 0.796 4.966 4.170 -0.001 0.000 0.298 453 I C -0.230 175.803 176.117 -0.139 0.000 0.998 453 I CA -1.518 59.737 61.300 -0.075 0.000 1.137 453 I CB 2.003 39.974 38.000 -0.048 0.000 1.310 453 I HN 0.073 nan 8.210 nan 0.000 0.445 454 V N 4.358 124.157 119.914 -0.191 0.000 2.427 454 V HA 0.793 4.913 4.120 -0.001 0.000 0.286 454 V C -0.385 175.503 176.094 -0.344 0.000 1.034 454 V CA -0.048 62.100 62.300 -0.254 0.000 0.893 454 V CB 1.072 32.762 31.823 -0.221 0.000 0.982 454 V HN 1.137 nan 8.190 nan 0.000 0.452 455 K N 4.126 124.214 120.400 -0.519 0.000 2.680 455 K HA 0.663 4.982 4.320 -0.001 0.000 0.295 455 K C -1.825 174.263 176.600 -0.853 0.000 1.052 455 K CA -0.915 55.022 56.287 -0.584 0.000 0.863 455 K CB 1.397 33.745 32.500 -0.254 0.000 1.549 455 K HN 0.478 nan 8.250 nan 0.000 0.391 456 F N 0.359 120.228 119.950 -0.136 0.000 2.577 456 F HA 0.347 4.874 4.527 -0.000 0.000 0.318 456 F C 0.057 175.809 175.800 -0.081 0.000 1.065 456 F CA -0.726 57.200 58.000 -0.123 0.000 0.929 456 F CB 1.885 40.744 39.000 -0.235 0.000 1.237 456 F HN 0.545 nan 8.300 nan 0.000 0.468 457 D N -0.086 120.425 120.400 0.185 0.000 2.349 457 D HA 0.073 4.713 4.640 -0.001 0.000 0.239 457 D C 1.400 177.725 176.300 0.041 0.000 1.315 457 D CA 0.696 54.778 54.000 0.137 0.000 0.937 457 D CB 0.634 41.605 40.800 0.284 0.000 1.133 457 D HN 0.706 nan 8.370 nan 0.000 0.489 458 T N -2.219 112.265 114.554 -0.117 0.000 2.995 458 T HA -0.084 4.266 4.350 -0.001 0.000 0.269 458 T C 1.465 175.986 174.700 -0.298 0.000 1.091 458 T CA 0.812 62.739 62.100 -0.289 0.000 1.128 458 T CB -0.364 68.205 68.868 -0.498 0.000 0.891 458 T HN 0.303 nan 8.240 nan 0.000 0.492 459 F N 1.635 121.637 119.950 0.088 0.000 2.797 459 F HA 0.467 4.993 4.527 -0.001 0.000 0.302 459 F C 1.958 177.849 175.800 0.150 0.000 1.130 459 F CA -0.077 57.995 58.000 0.120 0.000 1.387 459 F CB -0.254 38.821 39.000 0.126 0.000 1.107 459 F HN 0.363 nan 8.300 nan 0.000 0.577 460 G N 0.420 109.362 108.800 0.236 0.000 2.137 460 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.237 460 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.237 460 G C -0.352 174.722 174.900 0.290 0.000 1.002 460 G CA -0.102 45.087 45.100 0.148 0.000 0.702 460 G HN 0.286 nan 8.290 nan 0.000 0.515 461 D N -0.126 120.479 120.400 0.342 0.000 2.326 461 D HA 0.616 5.255 4.640 -0.001 0.000 0.251 461 D C 1.041 177.483 176.300 0.236 0.000 1.023 461 D CA 0.541 54.723 54.000 0.304 0.000 0.966 461 D CB 1.269 42.249 40.800 0.300 0.000 1.156 461 D HN 0.339 nan 8.370 nan 0.000 0.494 462 G N -0.261 108.631 108.800 0.153 0.000 2.537 462 G HA2 0.416 4.375 3.960 -0.001 0.000 0.297 462 G HA3 0.416 4.375 3.960 -0.001 0.000 0.297 462 G C 0.014 174.928 174.900 0.023 0.000 1.310 462 G CA -0.563 44.568 45.100 0.052 0.000 1.027 462 G HN 0.208 nan 8.290 nan 0.000 0.505 463 M N 0.971 120.561 119.600 -0.016 0.000 2.200 463 M HA 0.233 4.712 4.480 -0.001 0.000 0.355 463 M C 1.039 177.269 176.300 -0.117 0.000 1.283 463 M CA -0.733 54.532 55.300 -0.058 0.000 1.124 463 M CB 0.588 33.166 32.600 -0.035 0.000 1.625 463 M HN 0.485 nan 8.290 nan 0.000 0.463 464 G N 5.183 113.858 108.800 -0.208 0.000 3.008 464 G HA2 0.255 4.215 3.960 -0.001 0.000 0.272 464 G HA3 0.255 4.215 3.960 -0.001 0.000 0.272 464 G C 0.074 174.986 174.900 0.020 0.000 0.764 464 G CA -0.468 44.530 45.100 -0.171 0.000 2.029 464 G HN 0.454 nan 8.290 nan 0.000 0.587 465 R N 1.306 121.699 120.500 -0.179 0.000 2.437 465 R HA 0.473 4.813 4.340 -0.001 0.000 0.310 465 R C -1.315 174.892 176.300 -0.155 0.000 0.955 465 R CA -0.830 55.278 56.100 0.014 0.000 0.851 465 R CB 1.339 31.664 30.300 0.042 0.000 1.161 465 R HN 0.390 nan 8.270 nan 0.000 0.446 466 Y N 0.248 120.734 120.300 0.311 0.000 2.602 466 Y HA 0.466 5.015 4.550 -0.001 0.000 0.342 466 Y C 0.365 176.411 175.900 0.244 0.000 1.029 466 Y CA -1.076 57.179 58.100 0.259 0.000 1.080 466 Y CB 1.783 40.381 38.460 0.230 0.000 1.284 466 Y HN 0.341 nan 8.280 nan 0.000 0.485 467 N N -0.104 118.821 118.700 0.375 0.000 2.272 467 N HA 0.599 5.339 4.740 -0.001 0.000 0.305 467 N C -1.588 173.991 175.510 0.115 0.000 1.103 467 N CA -0.574 52.579 53.050 0.171 0.000 0.791 467 N CB 2.482 41.003 38.487 0.056 0.000 1.356 467 N HN 0.300 nan 8.380 nan 0.000 0.486 468 V N 2.298 122.157 119.914 -0.093 0.000 2.483 468 V HA 0.563 4.682 4.120 -0.001 0.000 0.295 468 V C -0.580 175.321 176.094 -0.322 0.000 1.035 468 V CA -0.474 61.797 62.300 -0.048 0.000 0.896 468 V CB 0.461 32.292 31.823 0.013 0.000 0.986 468 V HN 0.439 nan 8.190 nan 0.000 0.447 469 F N 2.213 122.181 119.950 0.030 0.000 2.579 469 F HA 0.514 5.041 4.527 -0.001 0.000 0.324 469 F C 0.241 176.052 175.800 0.019 0.000 1.058 469 F CA -0.710 57.318 58.000 0.045 0.000 0.944 469 F CB 1.854 40.906 39.000 0.086 0.000 1.245 469 F HN 0.457 nan 8.300 nan 0.000 0.477 470 N N 1.552 120.358 118.700 0.176 0.000 2.346 470 N HA 0.401 5.140 4.740 -0.001 0.000 0.289 470 N C -1.888 173.603 175.510 -0.031 0.000 1.027 470 N CA -0.711 52.328 53.050 -0.018 0.000 0.864 470 N CB 1.504 39.880 38.487 -0.185 0.000 1.370 470 N HN 0.558 nan 8.380 nan 0.000 0.481 471 L N 3.487 124.644 121.223 -0.109 0.000 2.407 471 L HA 0.247 4.586 4.340 -0.001 0.000 0.282 471 L C -0.206 176.555 176.870 -0.181 0.000 1.110 471 L CA 0.529 55.230 54.840 -0.232 0.000 0.863 471 L CB 0.221 42.177 42.059 -0.171 0.000 1.207 471 L HN 0.600 nan 8.230 nan 0.000 0.454 472 Q N 2.879 122.590 119.800 -0.147 0.000 2.576 472 Q HA 0.414 4.754 4.340 -0.001 0.000 0.249 472 Q C -0.355 175.617 176.000 -0.048 0.000 1.041 472 Q CA -0.707 55.042 55.803 -0.090 0.000 0.928 472 Q CB 1.518 30.082 28.738 -0.290 0.000 1.302 472 Q HN 0.592 nan 8.270 nan 0.000 0.504 473 Q N -0.031 119.711 119.800 -0.096 0.000 1.921 473 Q HA -0.022 4.317 4.340 -0.001 0.000 0.192 473 Q C 1.025 176.891 176.000 -0.224 0.000 0.755 473 Q CA 0.993 56.545 55.803 -0.418 0.000 0.904 473 Q CB 0.476 28.562 28.738 -1.086 0.000 1.222 473 Q HN 0.963 nan 8.270 nan 0.000 0.417 474 T N -1.264 113.249 114.554 -0.067 0.000 2.759 474 T HA -0.257 4.092 4.350 -0.001 0.000 0.247 474 T C 1.248 175.926 174.700 -0.037 0.000 1.131 474 T CA 2.133 64.232 62.100 -0.002 0.000 1.135 474 T CB -1.154 67.733 68.868 0.032 0.000 0.825 474 T HN 0.389 nan 8.240 nan 0.000 0.483 475 G N 0.056 108.825 108.800 -0.053 0.000 3.709 475 G HA2 0.487 4.446 3.960 -0.001 0.000 0.272 475 G HA3 0.487 4.446 3.960 -0.001 0.000 0.272 475 G C 1.184 176.057 174.900 -0.046 0.000 1.259 475 G CA -0.030 45.049 45.100 -0.036 0.000 1.512 475 G HN 1.362 nan 8.290 nan 0.000 0.625 476 G N 0.332 109.085 108.800 -0.079 0.000 2.562 476 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.241 476 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.241 476 G C 0.759 175.624 174.900 -0.058 0.000 1.120 476 G CA 0.899 45.962 45.100 -0.063 0.000 0.673 476 G HN 0.827 nan 8.290 nan 0.000 0.519 477 K N 0.229 120.606 120.400 -0.038 0.000 2.098 477 K HA 0.578 4.898 4.320 -0.001 0.000 0.258 477 K C -0.714 175.872 176.600 -0.022 0.000 0.973 477 K CA -0.840 55.474 56.287 0.043 0.000 0.898 477 K CB 0.583 33.114 32.500 0.052 0.000 1.057 477 K HN 0.143 nan 8.250 nan 0.000 0.447 478 Y N 0.858 121.163 120.300 0.008 0.000 2.308 478 Y HA 0.263 4.812 4.550 -0.001 0.000 0.329 478 Y C 0.063 175.928 175.900 -0.057 0.000 1.111 478 Y CA 0.019 58.111 58.100 -0.013 0.000 1.179 478 Y CB 1.896 40.350 38.460 -0.010 0.000 1.201 478 Y HN 0.499 nan 8.280 nan 0.000 0.483 479 S N 1.057 116.760 115.700 0.006 0.000 2.607 479 S HA 0.494 4.963 4.470 -0.001 0.000 0.273 479 S C -1.887 172.638 174.600 -0.125 0.000 1.148 479 S CA -1.050 57.134 58.200 -0.026 0.000 0.833 479 S CB 1.009 64.228 63.200 0.032 0.000 1.130 479 S HN 0.377 nan 8.310 nan 0.000 0.470 480 Y N 1.354 121.704 120.300 0.082 0.000 2.341 480 Y HA 0.605 5.155 4.550 -0.001 0.000 0.340 480 Y C -0.162 175.859 175.900 0.203 0.000 0.997 480 Y CA -0.642 57.533 58.100 0.125 0.000 1.149 480 Y CB 0.875 39.364 38.460 0.048 0.000 1.171 480 Y HN 0.449 nan 8.280 nan 0.000 0.494 481 L N 4.573 125.960 121.223 0.274 0.000 2.317 481 L HA 0.466 4.806 4.340 -0.001 0.000 0.281 481 L C -0.332 176.595 176.870 0.095 0.000 1.024 481 L CA -0.936 53.996 54.840 0.153 0.000 0.810 481 L CB 1.219 43.264 42.059 -0.024 0.000 1.240 481 L HN 0.525 nan 8.230 nan 0.000 0.427 482 K N 3.890 124.251 120.400 -0.065 0.000 2.378 482 K HA 0.286 4.606 4.320 -0.001 0.000 0.288 482 K C 0.146 176.604 176.600 -0.237 0.000 1.057 482 K CA 0.043 56.055 56.287 -0.459 0.000 0.971 482 K CB 0.559 32.802 32.500 -0.427 0.000 0.975 482 K HN 0.655 nan 8.250 nan 0.000 0.475 483 V N 1.000 120.777 119.914 -0.228 0.000 3.085 483 V HA 0.530 4.650 4.120 -0.001 0.000 0.345 483 V C 0.317 176.374 176.094 -0.061 0.000 1.397 483 V CA 0.282 62.519 62.300 -0.104 0.000 1.165 483 V CB -0.181 31.591 31.823 -0.085 0.000 1.153 483 V HN 0.909 nan 8.190 nan 0.000 0.495 484 G N 0.034 108.793 108.800 -0.068 0.000 2.352 484 G HA2 0.457 4.417 3.960 -0.001 0.000 0.283 484 G HA3 0.457 4.417 3.960 -0.001 0.000 0.283 484 G C -1.179 173.792 174.900 0.119 0.000 1.308 484 G CA -0.092 45.022 45.100 0.023 0.000 0.892 484 G HN 1.346 nan 8.290 nan 0.000 0.504 485 H N -2.605 116.461 119.070 -0.006 0.000 2.917 485 H HA 0.600 5.156 4.556 -0.001 0.000 0.299 485 H C -2.299 173.145 175.328 0.193 0.000 1.418 485 H CA -1.228 54.867 56.048 0.079 0.000 1.138 485 H CB 1.271 31.056 29.762 0.039 0.000 1.830 485 H HN 1.062 nan 8.280 nan 0.000 0.514 486 W N 0.782 122.162 121.300 0.133 0.000 2.830 486 W HA 0.667 5.326 4.660 -0.001 0.000 0.335 486 W C -0.796 175.842 176.519 0.198 0.000 1.043 486 W CA 0.263 57.663 57.345 0.090 0.000 1.239 486 W CB 1.817 31.345 29.460 0.113 0.000 1.378 486 W HN 0.909 nan 8.180 nan 0.000 0.456 487 A N 2.929 125.522 122.820 -0.379 0.000 1.997 487 A HA 0.277 4.597 4.320 -0.001 0.000 0.198 487 A C 1.104 178.225 177.584 -0.772 0.000 1.449 487 A CA 0.907 52.763 52.037 -0.301 0.000 0.908 487 A CB 0.497 19.419 19.000 -0.129 0.000 0.984 487 A HN 0.654 nan 8.150 nan 0.000 0.487 488 E N -1.605 117.910 120.200 -1.141 0.000 2.552 488 E HA 0.073 4.423 4.350 -0.001 0.000 0.189 488 E C -0.526 175.543 176.600 -0.885 0.000 0.970 488 E CA 0.777 56.601 56.400 -0.960 0.000 1.571 488 E CB 1.027 30.504 29.700 -0.370 0.000 2.223 488 E HN 0.541 nan 8.360 nan 0.000 1.018 489 T N -0.815 113.220 114.554 -0.865 0.000 2.909 489 T HA 0.522 4.872 4.350 -0.001 0.000 0.299 489 T C -0.545 173.857 174.700 -0.496 0.000 1.073 489 T CA -0.872 60.950 62.100 -0.462 0.000 0.999 489 T CB 2.003 70.725 68.868 -0.243 0.000 1.098 489 T HN 0.035 nan 8.240 nan 0.000 0.477 490 L N 1.648 122.797 121.223 -0.123 0.000 2.467 490 L HA 0.673 5.013 4.340 -0.001 0.000 0.270 490 L C 0.190 176.910 176.870 -0.250 0.000 1.205 490 L CA 0.915 55.746 54.840 -0.014 0.000 0.828 490 L CB 1.095 43.181 42.059 0.045 0.000 1.101 490 L HN 1.020 nan 8.230 nan 0.000 0.479 491 S N 4.823 120.330 115.700 -0.322 0.000 2.592 491 S HA 0.753 5.222 4.470 -0.001 0.000 0.275 491 S C -1.543 172.850 174.600 -0.345 0.000 1.169 491 S CA -0.606 57.342 58.200 -0.419 0.000 0.958 491 S CB 0.271 63.075 63.200 -0.659 0.000 1.095 491 S HN 0.932 nan 8.310 nan 0.000 0.471 492 L N 1.894 122.964 121.223 -0.255 0.000 2.703 492 L HA 0.578 4.918 4.340 -0.001 0.000 0.257 492 L C -1.541 175.287 176.870 -0.069 0.000 0.923 492 L CA -0.996 53.766 54.840 -0.130 0.000 0.936 492 L CB 1.762 43.762 42.059 -0.098 0.000 1.482 492 L HN 0.589 nan 8.230 nan 0.000 0.432 493 D N 2.730 123.132 120.400 0.003 0.000 2.393 493 D HA 0.165 4.805 4.640 -0.001 0.000 0.232 493 D C 1.036 177.401 176.300 0.109 0.000 1.192 493 D CA -0.509 53.520 54.000 0.048 0.000 0.882 493 D CB 2.135 42.961 40.800 0.045 0.000 1.038 493 D HN 0.442 nan 8.370 nan 0.000 0.499 494 V N 2.292 122.319 119.914 0.188 0.000 2.688 494 V HA -0.253 3.867 4.120 -0.001 0.000 0.256 494 V C 1.663 177.917 176.094 0.266 0.000 1.084 494 V CA 1.561 64.064 62.300 0.337 0.000 1.103 494 V CB -0.418 31.700 31.823 0.491 0.000 0.688 494 V HN 0.538 nan 8.190 nan 0.000 0.480 495 D N 0.652 121.161 120.400 0.181 0.000 2.219 495 D HA -0.092 4.548 4.640 -0.001 0.000 0.205 495 D C 2.319 178.692 176.300 0.123 0.000 0.970 495 D CA 1.672 55.761 54.000 0.148 0.000 0.851 495 D CB -0.062 40.805 40.800 0.112 0.000 0.943 495 D HN 0.660 nan 8.370 nan 0.000 0.488 496 S N -0.016 115.743 115.700 0.099 0.000 2.562 496 S HA 0.050 4.520 4.470 -0.001 0.000 0.221 496 S C 1.098 175.747 174.600 0.082 0.000 0.975 496 S CA -0.224 58.029 58.200 0.089 0.000 0.918 496 S CB -0.131 63.093 63.200 0.040 0.000 0.772 496 S HN 0.116 nan 8.310 nan 0.000 0.531 497 I N 3.010 123.584 120.570 0.007 0.000 2.496 497 I HA 0.210 4.379 4.170 -0.001 0.000 0.285 497 I C -0.201 175.773 176.117 -0.238 0.000 1.080 497 I CA -0.347 60.812 61.300 -0.235 0.000 1.404 497 I CB 0.311 38.001 38.000 -0.517 0.000 1.403 497 I HN 0.147 nan 8.210 nan 0.000 0.539 498 H N 4.802 123.563 119.070 -0.515 0.000 2.488 498 H HA 0.343 4.898 4.556 -0.001 0.000 0.322 498 H C -0.878 174.114 175.328 -0.561 0.000 1.078 498 H CA -0.761 55.072 56.048 -0.357 0.000 1.260 498 H CB 0.664 30.326 29.762 -0.167 0.000 1.425 498 H HN 0.432 nan 8.280 nan 0.000 0.471 499 W N 0.781 122.099 121.300 0.029 0.000 2.485 499 W HA 0.401 5.060 4.660 -0.001 0.000 0.364 499 W C 0.559 177.076 176.519 -0.003 0.000 1.171 499 W CA -0.925 56.399 57.345 -0.035 0.000 1.304 499 W CB 0.835 30.300 29.460 0.007 0.000 1.335 499 W HN 0.361 nan 8.180 nan 0.000 0.643 500 S N 1.347 117.226 115.700 0.299 0.000 2.430 500 S HA 0.432 4.901 4.470 -0.001 0.000 0.282 500 S C 0.670 175.435 174.600 0.275 0.000 1.186 500 S CA 0.629 59.011 58.200 0.302 0.000 1.060 500 S CB -0.238 63.077 63.200 0.190 0.000 0.966 500 S HN 1.042 nan 8.310 nan 0.000 0.501 501 R N 3.861 124.546 120.500 0.308 0.000 3.493 501 R HA -0.149 4.191 4.340 -0.001 0.000 0.297 501 R C 0.446 176.852 176.300 0.177 0.000 1.145 501 R CA 0.988 57.198 56.100 0.185 0.000 0.792 501 R CB -3.387 26.975 30.300 0.103 0.000 1.368 501 R HN 0.975 nan 8.270 nan 0.000 0.454 502 N N -1.633 117.213 118.700 0.244 0.000 2.627 502 N HA -0.165 4.574 4.740 -0.001 0.000 0.248 502 N C -0.109 175.514 175.510 0.190 0.000 1.173 502 N CA 1.950 55.124 53.050 0.207 0.000 0.741 502 N CB -0.749 37.812 38.487 0.122 0.000 1.128 502 N HN 1.418 nan 8.380 nan 0.000 0.562 503 S N -0.294 115.510 115.700 0.174 0.000 2.594 503 S HA 0.347 4.816 4.470 -0.001 0.000 0.296 503 S C -0.267 174.259 174.600 -0.124 0.000 1.124 503 S CA -0.613 57.622 58.200 0.059 0.000 1.011 503 S CB 1.958 65.169 63.200 0.019 0.000 1.016 503 S HN 0.124 nan 8.310 nan 0.000 0.485 504 V N 7.645 127.348 119.914 -0.351 0.000 2.486 504 V HA 0.218 4.337 4.120 -0.001 0.000 0.290 504 V C -2.189 173.592 176.094 -0.521 0.000 0.991 504 V CA -0.943 60.777 62.300 -0.966 0.000 1.142 504 V CB -0.253 31.215 31.823 -0.592 0.000 0.926 504 V HN 0.794 nan 8.190 nan 0.000 0.472 505 P HA 0.045 nan 4.420 nan 0.000 0.268 505 P C -0.589 176.717 177.300 0.010 0.000 1.189 505 P CA 0.573 63.535 63.100 -0.230 0.000 0.771 505 P CB 0.197 31.670 31.700 -0.378 0.000 0.822 506 T N 1.406 115.953 114.554 -0.012 0.000 2.809 506 T HA 0.412 4.761 4.350 -0.001 0.000 0.284 506 T C -0.345 174.389 174.700 0.057 0.000 0.992 506 T CA -0.341 61.812 62.100 0.089 0.000 0.957 506 T CB 0.584 69.480 68.868 0.047 0.000 0.942 506 T HN 0.142 nan 8.240 nan 0.000 0.439 507 S N 3.765 119.568 115.700 0.171 0.000 2.279 507 S HA 0.366 4.836 4.470 -0.001 0.000 0.176 507 S C -0.764 174.004 174.600 0.280 0.000 1.554 507 S CA -0.562 57.717 58.200 0.131 0.000 1.242 507 S CB 0.122 63.280 63.200 -0.071 0.000 1.163 507 S HN 0.677 nan 8.310 nan 0.000 0.449 508 Q N 0.775 120.714 119.800 0.231 0.000 2.433 508 Q HA 0.384 4.724 4.340 -0.001 0.000 0.279 508 Q C 0.742 176.688 176.000 -0.089 0.000 1.105 508 Q CA -0.815 55.109 55.803 0.203 0.000 0.815 508 Q CB 1.482 30.371 28.738 0.251 0.000 1.403 508 Q HN 0.553 nan 8.270 nan 0.000 0.435 509 c N 0.855 119.208 118.600 -0.411 0.000 2.413 509 c HA -0.048 4.522 4.570 -0.001 0.000 0.277 509 c C 0.844 174.433 174.090 -0.836 0.000 1.228 509 c CA 0.942 56.590 56.329 -1.134 0.000 1.731 509 c CB -0.161 41.813 42.510 -0.893 0.000 2.042 509 c HN 0.751 nan 8.230 nan 0.000 0.468 510 S N -0.143 114.959 115.700 -0.996 0.000 2.677 510 S HA 0.475 4.945 4.470 -0.001 0.000 0.304 510 S C -1.247 172.966 174.600 -0.645 0.000 1.108 510 S CA -0.520 57.080 58.200 -1.001 0.000 0.944 510 S CB 1.520 63.791 63.200 -1.549 0.000 1.127 510 S HN 0.479 nan 8.310 nan 0.000 0.511 511 D N 2.981 123.170 120.400 -0.352 0.000 2.382 511 D HA 0.294 4.934 4.640 -0.001 0.000 0.245 511 D C -2.094 174.308 176.300 0.170 0.000 1.120 511 D CA -0.656 53.305 54.000 -0.064 0.000 0.890 511 D CB 0.102 40.867 40.800 -0.057 0.000 1.201 511 D HN 0.184 nan 8.370 nan 0.000 0.433 512 P HA 0.022 nan 4.420 nan 0.000 0.269 512 P C -0.427 176.985 177.300 0.187 0.000 1.209 512 P CA -0.437 62.829 63.100 0.276 0.000 0.776 512 P CB 0.559 32.340 31.700 0.135 0.000 0.876 513 c N 1.821 120.514 118.600 0.156 0.000 2.605 513 c HA 0.452 5.021 4.570 -0.001 0.000 0.404 513 c C 1.406 175.507 174.090 0.019 0.000 1.284 513 c CA -0.238 56.140 56.329 0.082 0.000 2.199 513 c CB -0.005 42.523 42.510 0.030 0.000 2.647 513 c HN 0.672 nan 8.230 nan 0.000 0.604 514 A N 5.449 128.276 122.820 0.011 0.000 2.483 514 A HA 0.361 4.681 4.320 -0.001 0.000 0.238 514 A C -0.691 176.879 177.584 -0.024 0.000 1.070 514 A CA -0.496 51.538 52.037 -0.005 0.000 0.770 514 A CB -0.055 18.942 19.000 -0.005 0.000 1.008 514 A HN 0.782 nan 8.150 nan 0.000 0.497 515 P HA -0.123 nan 4.420 nan 0.000 0.211 515 P C 0.745 178.024 177.300 -0.036 0.000 1.191 515 P CA 0.913 63.991 63.100 -0.036 0.000 0.909 515 P CB -0.175 31.510 31.700 -0.026 0.000 0.770 516 N N 0.875 119.562 118.700 -0.021 0.000 2.387 516 N HA -0.209 4.531 4.740 -0.001 0.000 0.197 516 N C 0.518 176.005 175.510 -0.038 0.000 1.001 516 N CA 1.935 54.975 53.050 -0.018 0.000 0.906 516 N CB -0.168 38.317 38.487 -0.003 0.000 0.961 516 N HN 0.482 nan 8.380 nan 0.000 0.452 517 E N -2.897 117.272 120.200 -0.051 0.000 2.142 517 E HA 0.125 4.475 4.350 -0.001 0.000 0.181 517 E C -0.046 176.507 176.600 -0.079 0.000 0.916 517 E CA 0.002 56.357 56.400 -0.075 0.000 1.337 517 E CB -0.511 29.145 29.700 -0.075 0.000 2.627 517 E HN 0.071 nan 8.360 nan 0.000 0.826 518 M N 2.285 121.849 119.600 -0.060 0.000 2.249 518 M HA 0.408 4.887 4.480 -0.001 0.000 0.351 518 M C 0.125 176.382 176.300 -0.072 0.000 1.180 518 M CA -0.364 54.906 55.300 -0.051 0.000 1.127 518 M CB 0.981 33.570 32.600 -0.018 0.000 1.546 518 M HN 0.025 nan 8.290 nan 0.000 0.461 519 K N 1.627 121.989 120.400 -0.064 0.000 2.156 519 K HA 0.389 4.709 4.320 -0.001 0.000 0.250 519 K C -0.750 175.824 176.600 -0.044 0.000 0.955 519 K CA -0.879 55.360 56.287 -0.081 0.000 0.855 519 K CB 1.489 33.952 32.500 -0.062 0.000 1.101 519 K HN 0.524 nan 8.250 nan 0.000 0.434 520 N N 2.901 121.541 118.700 -0.101 0.000 2.444 520 N HA 0.146 4.886 4.740 -0.001 0.000 0.271 520 N C -1.095 174.496 175.510 0.136 0.000 1.069 520 N CA -0.143 52.862 53.050 -0.074 0.000 0.965 520 N CB 0.592 38.842 38.487 -0.394 0.000 1.092 520 N HN 0.549 nan 8.380 nan 0.000 0.476 521 M N 3.042 122.757 119.600 0.192 0.000 2.142 521 M HA 0.222 4.702 4.480 -0.001 0.000 0.299 521 M C -0.656 175.778 176.300 0.223 0.000 0.960 521 M CA -0.680 54.727 55.300 0.178 0.000 0.920 521 M CB 1.687 34.359 32.600 0.119 0.000 1.541 521 M HN 0.303 nan 8.290 nan 0.000 0.429 522 Q N 4.342 124.236 119.800 0.157 0.000 2.296 522 Q HA 0.371 4.710 4.340 -0.001 0.000 0.257 522 Q C -1.600 174.450 176.000 0.083 0.000 0.942 522 Q CA -1.257 54.634 55.803 0.147 0.000 0.939 522 Q CB 1.257 30.038 28.738 0.072 0.000 1.198 522 Q HN 0.494 nan 8.270 nan 0.000 0.429 523 P HA -0.014 nan 4.420 nan 0.000 0.215 523 P C 0.617 177.933 177.300 0.027 0.000 1.173 523 P CA 0.591 63.718 63.100 0.044 0.000 0.663 523 P CB 0.203 31.923 31.700 0.034 0.000 0.720 524 G N -0.718 108.096 108.800 0.023 0.000 2.709 524 G HA2 0.016 3.975 3.960 -0.001 0.000 0.208 524 G HA3 0.016 3.975 3.960 -0.001 0.000 0.208 524 G C 0.650 175.562 174.900 0.021 0.000 1.129 524 G CA 0.167 45.276 45.100 0.016 0.000 0.793 524 G HN 0.584 nan 8.290 nan 0.000 0.524 525 D N -0.038 120.382 120.400 0.033 0.000 2.539 525 D HA 0.222 4.862 4.640 -0.001 0.000 0.280 525 D C 0.959 177.292 176.300 0.056 0.000 1.208 525 D CA 0.026 54.052 54.000 0.042 0.000 1.088 525 D CB 1.377 42.208 40.800 0.051 0.000 1.149 525 D HN 0.313 nan 8.370 nan 0.000 0.596 526 V N -3.764 116.191 119.914 0.068 0.000 3.070 526 V HA 0.288 4.407 4.120 -0.001 0.000 0.345 526 V C 0.570 176.743 176.094 0.131 0.000 1.403 526 V CA -0.388 61.959 62.300 0.079 0.000 1.155 526 V CB -0.736 31.114 31.823 0.046 0.000 1.140 526 V HN 0.642 nan 8.190 nan 0.000 0.505 527 c N -0.978 117.718 118.600 0.160 0.000 3.276 527 c HA 0.432 5.001 4.570 -0.001 0.000 0.512 527 c C 1.123 175.359 174.090 0.243 0.000 1.376 527 c CA 0.068 56.525 56.329 0.212 0.000 2.319 527 c CB 0.027 42.645 42.510 0.180 0.000 3.330 527 c HN 0.669 nan 8.230 nan 0.000 0.596 528 c N 1.291 119.965 118.600 0.122 0.000 2.358 528 c HA 0.798 5.368 4.570 -0.001 0.000 0.354 528 c C -0.471 173.723 174.090 0.172 0.000 1.183 528 c CA -0.489 55.807 56.329 -0.055 0.000 2.150 528 c CB -0.217 42.192 42.510 -0.169 0.000 2.361 528 c HN 0.795 nan 8.230 nan 0.000 0.535 529 W N 1.197 122.470 121.300 -0.045 0.000 3.005 529 W HA 0.773 5.432 4.660 -0.001 0.000 0.343 529 W C -1.591 174.912 176.519 -0.027 0.000 1.243 529 W CA -1.254 56.081 57.345 -0.017 0.000 1.186 529 W CB 0.043 29.512 29.460 0.014 0.000 1.453 529 W HN 0.781 nan 8.180 nan 0.000 0.575 530 I N -0.065 120.643 120.570 0.230 0.000 2.846 530 I HA 0.825 4.995 4.170 -0.001 0.000 0.307 530 I C -0.935 175.324 176.117 0.238 0.000 1.053 530 I CA -1.034 60.335 61.300 0.114 0.000 1.050 530 I CB 1.936 39.964 38.000 0.047 0.000 1.239 530 I HN 0.502 nan 8.210 nan 0.000 0.439 531 c N 5.368 124.056 118.600 0.147 0.000 2.303 531 c HA 0.616 5.186 4.570 -0.001 0.000 0.326 531 c C -0.012 174.108 174.090 0.050 0.000 1.285 531 c CA -0.469 55.934 56.329 0.123 0.000 1.675 531 c CB 0.374 42.952 42.510 0.112 0.000 2.289 531 c HN 0.439 nan 8.230 nan 0.000 0.512 532 I N 6.245 126.832 120.570 0.029 0.000 2.354 532 I HA 0.322 4.491 4.170 -0.001 0.000 0.286 532 I C -1.974 174.125 176.117 -0.030 0.000 1.007 532 I CA -2.850 58.449 61.300 -0.002 0.000 1.167 532 I CB 1.246 39.243 38.000 -0.006 0.000 1.320 532 I HN 0.370 nan 8.210 nan 0.000 0.458 533 P HA 0.110 nan 4.420 nan 0.000 0.271 533 P C -0.236 177.009 177.300 -0.092 0.000 1.216 533 P CA -0.127 62.938 63.100 -0.058 0.000 0.776 533 P CB 0.844 32.516 31.700 -0.047 0.000 0.881 534 c N 2.595 121.118 118.600 -0.127 0.000 2.500 534 c HA 0.237 4.807 4.570 -0.001 0.000 0.367 534 c C 1.022 174.959 174.090 -0.256 0.000 1.283 534 c CA -0.521 55.694 56.329 -0.190 0.000 2.456 534 c CB -0.233 42.150 42.510 -0.212 0.000 2.457 534 c HN 0.540 nan 8.230 nan 0.000 0.632 535 E N 2.624 122.588 120.200 -0.394 0.000 2.373 535 E HA 0.083 4.432 4.350 -0.001 0.000 0.267 535 E C -1.376 174.833 176.600 -0.651 0.000 1.032 535 E CA -1.332 54.722 56.400 -0.576 0.000 0.889 535 E CB 0.149 29.216 29.700 -1.054 0.000 0.984 535 E HN 0.445 nan 8.360 nan 0.000 0.425 536 P HA -0.185 nan 4.420 nan 0.000 0.221 536 P C 0.662 177.385 177.300 -0.962 0.000 1.141 536 P CA 1.504 64.339 63.100 -0.442 0.000 0.794 536 P CB -0.167 31.499 31.700 -0.056 0.000 0.764 537 Y N -1.613 118.261 120.300 -0.711 0.000 2.524 537 Y HA 0.496 5.046 4.550 -0.001 0.000 0.266 537 Y C 0.342 175.978 175.900 -0.441 0.000 1.180 537 Y CA -1.244 56.364 58.100 -0.821 0.000 1.244 537 Y CB -0.666 37.571 38.460 -0.372 0.000 1.125 537 Y HN -0.110 nan 8.280 nan 0.000 0.524 538 E N 1.106 120.987 120.200 -0.532 0.000 2.221 538 E HA 0.373 4.722 4.350 -0.001 0.000 0.268 538 E C -1.338 175.171 176.600 -0.152 0.000 0.933 538 E CA -1.286 54.956 56.400 -0.263 0.000 0.809 538 E CB 1.808 31.305 29.700 -0.339 0.000 1.190 538 E HN 0.426 nan 8.360 nan 0.000 0.406 539 Y N -0.853 119.319 120.300 -0.213 0.000 2.630 539 Y HA 0.578 5.128 4.550 -0.001 0.000 0.337 539 Y C -1.024 174.800 175.900 -0.127 0.000 1.051 539 Y CA -1.585 56.410 58.100 -0.175 0.000 1.121 539 Y CB 0.627 38.998 38.460 -0.149 0.000 1.299 539 Y HN 0.225 nan 8.280 nan 0.000 0.498 540 L N 3.033 124.132 121.223 -0.206 0.000 2.328 540 L HA 0.237 4.576 4.340 -0.001 0.000 0.280 540 L C 0.841 177.503 176.870 -0.347 0.000 1.111 540 L CA -0.268 54.398 54.840 -0.291 0.000 0.909 540 L CB 0.447 42.414 42.059 -0.152 0.000 1.277 540 L HN 0.887 nan 8.230 nan 0.000 0.433 541 V N 1.331 120.869 119.914 -0.627 0.000 2.380 541 V HA -0.205 3.914 4.120 -0.001 0.000 0.251 541 V C 0.702 176.721 176.094 -0.126 0.000 1.063 541 V CA 1.986 64.063 62.300 -0.371 0.000 1.055 541 V CB -0.744 30.886 31.823 -0.322 0.000 0.657 541 V HN 0.966 nan 8.190 nan 0.000 0.455 542 D N -3.560 116.759 120.400 -0.134 0.000 2.665 542 D HA 0.130 4.769 4.640 -0.001 0.000 0.287 542 D C 0.676 176.872 176.300 -0.173 0.000 1.266 542 D CA -0.381 53.567 54.000 -0.086 0.000 0.830 542 D CB 0.657 41.471 40.800 0.023 0.000 1.356 542 D HN -0.054 nan 8.370 nan 0.000 0.437 543 E N -0.799 119.202 120.200 -0.332 0.000 2.169 543 E HA -0.220 4.130 4.350 -0.001 0.000 0.202 543 E C 0.434 176.659 176.600 -0.626 0.000 1.016 543 E CA 1.542 57.570 56.400 -0.621 0.000 0.817 543 E CB -0.148 28.920 29.700 -1.053 0.000 0.736 543 E HN 0.531 nan 8.360 nan 0.000 0.462 544 F N -0.690 119.177 119.950 -0.139 0.000 2.653 544 F HA 0.301 4.827 4.527 -0.000 0.000 0.304 544 F C -0.048 175.681 175.800 -0.118 0.000 1.092 544 F CA -0.254 57.669 58.000 -0.128 0.000 1.279 544 F CB 0.747 39.676 39.000 -0.118 0.000 1.044 544 F HN -0.282 nan 8.300 nan 0.000 0.564 545 T N 0.804 115.373 114.554 0.025 0.000 2.949 545 T HA 0.346 4.695 4.350 -0.001 0.000 0.300 545 T C -0.667 173.936 174.700 -0.161 0.000 0.988 545 T CA -0.678 61.392 62.100 -0.050 0.000 0.993 545 T CB 0.907 69.750 68.868 -0.042 0.000 0.984 545 T HN -0.042 nan 8.240 nan 0.000 0.442 546 c N 4.169 122.677 118.600 -0.154 0.000 2.536 546 c HA 0.733 5.302 4.570 -0.001 0.000 0.396 546 c C 0.391 174.346 174.090 -0.225 0.000 1.279 546 c CA -0.687 55.514 56.329 -0.213 0.000 2.148 546 c CB -0.431 41.977 42.510 -0.171 0.000 2.584 546 c HN 0.873 nan 8.230 nan 0.000 0.579 547 M N 2.316 121.731 119.600 -0.307 0.000 2.378 547 M HA 0.256 4.736 4.480 -0.001 0.000 0.289 547 M C -1.262 175.016 176.300 -0.037 0.000 1.136 547 M CA -0.325 54.856 55.300 -0.199 0.000 0.917 547 M CB 1.592 34.026 32.600 -0.277 0.000 1.669 547 M HN 0.727 nan 8.290 nan 0.000 0.461 548 D N 2.374 122.814 120.400 0.065 0.000 2.434 548 D HA 0.052 4.692 4.640 -0.001 0.000 0.252 548 D C 0.695 177.118 176.300 0.206 0.000 1.185 548 D CA 0.169 54.274 54.000 0.176 0.000 0.886 548 D CB 0.963 41.879 40.800 0.193 0.000 1.148 548 D HN 0.681 nan 8.370 nan 0.000 0.483 549 c N 3.589 122.307 118.600 0.197 0.000 2.422 549 c HA 0.275 4.844 4.570 -0.001 0.000 0.286 549 c C 1.366 175.501 174.090 0.076 0.000 1.412 549 c CA 0.949 57.341 56.329 0.105 0.000 1.786 549 c CB -1.777 40.719 42.510 -0.023 0.000 1.835 549 c HN 0.918 nan 8.230 nan 0.000 0.533 550 G N 0.576 109.432 108.800 0.094 0.000 2.746 550 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.685 550 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.685 550 G C -2.743 172.184 174.900 0.045 0.000 1.350 550 G CA -0.660 44.473 45.100 0.056 0.000 0.837 550 G HN 0.162 nan 8.290 nan 0.000 0.564 551 P HA 0.350 nan 4.420 nan 0.000 0.268 551 P C 1.226 178.554 177.300 0.046 0.000 1.205 551 P CA 1.757 64.872 63.100 0.025 0.000 0.771 551 P CB 0.719 32.425 31.700 0.008 0.000 0.858 552 G N 1.527 110.364 108.800 0.061 0.000 2.212 552 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.266 552 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.266 552 G C 0.160 175.122 174.900 0.103 0.000 0.978 552 G CA 0.200 45.341 45.100 0.069 0.000 0.632 552 G HN 0.652 nan 8.290 nan 0.000 0.537 553 Q N -1.667 118.204 119.800 0.118 0.000 2.418 553 Q HA 0.709 5.049 4.340 -0.001 0.000 0.276 553 Q C -0.754 175.380 176.000 0.223 0.000 1.081 553 Q CA -0.970 54.910 55.803 0.128 0.000 0.864 553 Q CB 2.284 31.050 28.738 0.046 0.000 1.384 553 Q HN 0.380 nan 8.270 nan 0.000 0.467 554 W N 1.677 122.859 121.300 -0.196 0.000 3.248 554 W HA 0.297 4.957 4.660 -0.000 0.000 0.311 554 W C -3.031 173.165 176.519 -0.540 0.000 1.258 554 W CA -1.607 55.567 57.345 -0.286 0.000 1.191 554 W CB 1.658 30.956 29.460 -0.270 0.000 1.389 554 W HN 0.422 nan 8.180 nan 0.000 0.561 555 P HA 0.048 nan 4.420 nan 0.000 0.271 555 P C 0.249 177.323 177.300 -0.377 0.000 1.218 555 P CA 0.490 63.324 63.100 -0.444 0.000 0.780 555 P CB 1.082 32.557 31.700 -0.374 0.000 0.901 556 T N -1.025 113.413 114.554 -0.192 0.000 2.898 556 T HA 0.243 4.593 4.350 -0.001 0.000 0.301 556 T C 1.691 176.468 174.700 0.127 0.000 1.049 556 T CA -0.020 62.131 62.100 0.085 0.000 1.095 556 T CB 0.301 69.243 68.868 0.123 0.000 0.976 556 T HN 0.434 nan 8.240 nan 0.000 0.539 557 A N 1.614 124.571 122.820 0.227 0.000 1.997 557 A HA -0.177 4.143 4.320 -0.001 0.000 0.221 557 A C 1.880 179.516 177.584 0.086 0.000 1.172 557 A CA 2.198 54.330 52.037 0.158 0.000 0.645 557 A CB -1.160 17.927 19.000 0.146 0.000 0.813 557 A HN 1.069 nan 8.150 nan 0.000 0.454 558 D N -2.699 117.744 120.400 0.072 0.000 2.350 558 D HA 0.214 4.853 4.640 -0.001 0.000 0.213 558 D C 0.586 176.903 176.300 0.027 0.000 1.031 558 D CA 0.208 54.232 54.000 0.041 0.000 0.861 558 D CB -0.132 40.690 40.800 0.037 0.000 0.926 558 D HN 0.131 nan 8.370 nan 0.000 0.520 559 L N 0.038 121.279 121.223 0.030 0.000 4.496 559 L HA -0.280 4.060 4.340 -0.001 0.000 0.419 559 L C 1.585 178.514 176.870 0.100 0.000 1.139 559 L CA 1.033 55.894 54.840 0.035 0.000 0.975 559 L CB -2.457 39.601 42.059 -0.002 0.000 2.099 559 L HN 0.368 nan 8.230 nan 0.000 0.818 560 S N -2.435 113.312 115.700 0.079 0.000 2.478 560 S HA 0.513 4.983 4.470 -0.001 0.000 0.222 560 S C 1.013 175.691 174.600 0.130 0.000 1.008 560 S CA 0.580 58.845 58.200 0.109 0.000 0.928 560 S CB 0.625 63.856 63.200 0.052 0.000 0.781 560 S HN 0.740 nan 8.310 nan 0.000 0.518 561 G N -0.771 108.008 108.800 -0.035 0.000 2.815 561 G HA2 0.532 4.491 3.960 -0.001 0.000 0.305 561 G HA3 0.532 4.491 3.960 -0.001 0.000 0.305 561 G C -1.722 172.885 174.900 -0.488 0.000 1.277 561 G CA -0.352 44.542 45.100 -0.344 0.000 0.795 561 G HN 0.396 nan 8.290 nan 0.000 0.528 562 c N 0.037 118.364 118.600 -0.456 0.000 2.563 562 c HA 0.831 5.401 4.570 -0.001 0.000 0.314 562 c C -1.071 172.955 174.090 -0.106 0.000 1.199 562 c CA -0.910 55.207 56.329 -0.352 0.000 1.564 562 c CB 0.276 42.557 42.510 -0.383 0.000 2.173 562 c HN 0.740 nan 8.230 nan 0.000 0.485 563 Y N 0.330 120.630 120.300 0.001 0.000 2.562 563 Y HA 0.617 5.166 4.550 -0.001 0.000 0.343 563 Y C -0.252 175.682 175.900 0.056 0.000 1.025 563 Y CA -1.707 56.408 58.100 0.024 0.000 1.082 563 Y CB 0.294 38.777 38.460 0.039 0.000 1.264 563 Y HN 0.536 nan 8.280 nan 0.000 0.478 564 N N 1.604 120.509 118.700 0.341 0.000 2.508 564 N HA 0.273 5.012 4.740 -0.001 0.000 0.264 564 N C -0.801 174.881 175.510 0.286 0.000 1.216 564 N CA -0.215 52.975 53.050 0.233 0.000 0.943 564 N CB 1.073 39.629 38.487 0.116 0.000 1.113 564 N HN 0.673 nan 8.380 nan 0.000 0.447 565 L N 2.810 124.149 121.223 0.194 0.000 2.357 565 L HA 0.405 4.744 4.340 -0.001 0.000 0.273 565 L C -1.191 175.708 176.870 0.050 0.000 1.080 565 L CA -1.297 53.621 54.840 0.130 0.000 0.803 565 L CB 0.802 42.910 42.059 0.082 0.000 1.174 565 L HN 0.424 nan 8.230 nan 0.000 0.443 566 P HA 0.404 nan 4.420 nan 0.000 0.338 566 P C -0.786 176.503 177.300 -0.018 0.000 1.308 566 P CA -0.332 62.760 63.100 -0.014 0.000 0.753 566 P CB 0.699 32.377 31.700 -0.037 0.000 1.579 567 E N 0.000 120.186 120.200 -0.023 0.000 2.725 567 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 567 E CA 0.000 56.387 56.400 -0.022 0.000 0.976 567 E CB 0.000 29.682 29.700 -0.029 0.000 0.812 567 E HN 0.000 nan 8.360 nan 0.000 0.440