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 2e4w_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 QcSLQNKRNH RQVcDKHLAI 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 0.000 176.335 176.300 0.058 0.000 0.893 30 R CA 0.000 56.153 56.100 0.088 0.000 0.921 30 R CB 0.000 30.332 30.300 0.053 0.000 0.687 31 R N 1.180 121.723 120.500 0.072 0.000 2.457 31 R HA 0.586 4.925 4.340 -0.001 0.000 0.284 31 R C -0.328 175.990 176.300 0.031 0.000 1.024 31 R CA -0.280 55.745 56.100 -0.125 0.000 1.025 31 R CB 1.294 31.283 30.300 -0.519 0.000 1.063 31 R HN 0.651 nan 8.270 nan 0.000 0.493 32 E N 1.223 121.350 120.200 -0.121 0.000 2.417 32 E HA 0.296 4.645 4.350 -0.001 0.000 0.280 32 E C -1.317 175.362 176.600 0.132 0.000 1.112 32 E CA -0.815 55.715 56.400 0.216 0.000 0.863 32 E CB 0.943 30.837 29.700 0.322 0.000 1.346 32 E HN 0.327 nan 8.360 nan 0.000 0.443 33 I N 0.964 121.736 120.570 0.337 0.000 2.410 33 I HA 0.377 4.547 4.170 -0.001 0.000 0.286 33 I C -0.749 175.515 176.117 0.246 0.000 1.009 33 I CA -0.777 60.673 61.300 0.250 0.000 1.111 33 I CB 1.577 39.765 38.000 0.313 0.000 1.262 33 I HN 0.321 nan 8.210 nan 0.000 0.443 34 K N 7.238 127.701 120.400 0.105 0.000 2.483 34 K HA 0.582 4.902 4.320 -0.001 0.000 0.256 34 K C -1.199 175.409 176.600 0.014 0.000 0.961 34 K CA -0.634 55.655 56.287 0.003 0.000 0.873 34 K CB 1.853 34.280 32.500 -0.121 0.000 1.107 34 K HN 0.395 nan 8.250 nan 0.000 0.432 35 I N 2.949 123.539 120.570 0.033 0.000 2.418 35 I HA 0.254 4.423 4.170 -0.001 0.000 0.287 35 I C 0.451 176.575 176.117 0.013 0.000 1.008 35 I CA -0.703 60.613 61.300 0.027 0.000 1.104 35 I CB 1.540 39.568 38.000 0.048 0.000 1.264 35 I HN 0.538 nan 8.210 nan 0.000 0.438 36 E N 3.448 123.648 120.200 -0.001 0.000 2.392 36 E HA 0.617 4.967 4.350 -0.001 0.000 0.259 36 E C 0.249 176.849 176.600 -0.000 0.000 1.108 36 E CA -0.263 56.134 56.400 -0.005 0.000 0.916 36 E CB 1.539 31.233 29.700 -0.010 0.000 0.989 36 E HN 0.861 nan 8.360 nan 0.000 0.432 37 G N 0.467 109.266 108.800 -0.002 0.000 2.506 37 G HA2 0.016 3.976 3.960 -0.001 0.000 0.292 37 G HA3 0.016 3.976 3.960 -0.001 0.000 0.292 37 G C -0.365 174.532 174.900 -0.004 0.000 1.425 37 G CA -0.574 44.523 45.100 -0.004 0.000 0.788 37 G HN 0.442 nan 8.290 nan 0.000 0.490 38 D N -1.129 119.267 120.400 -0.007 0.000 2.178 38 D HA -0.009 4.631 4.640 -0.001 0.000 0.202 38 D C 0.311 176.609 176.300 -0.004 0.000 0.974 38 D CA 1.209 55.206 54.000 -0.005 0.000 0.841 38 D CB 0.372 41.168 40.800 -0.007 0.000 0.953 38 D HN -0.020 nan 8.370 nan 0.000 0.478 39 L N 0.286 121.505 121.223 -0.006 0.000 2.431 39 L HA 0.313 4.653 4.340 -0.001 0.000 0.266 39 L C -0.808 176.057 176.870 -0.008 0.000 0.978 39 L CA -0.967 53.869 54.840 -0.007 0.000 0.822 39 L CB 2.573 44.626 42.059 -0.011 0.000 1.310 39 L HN -0.348 nan 8.230 nan 0.000 0.409 40 V N 4.182 124.093 119.914 -0.005 0.000 2.555 40 V HA 0.555 4.674 4.120 -0.001 0.000 0.302 40 V C -0.357 175.723 176.094 -0.023 0.000 1.038 40 V CA -0.715 61.586 62.300 0.001 0.000 0.887 40 V CB 2.038 33.876 31.823 0.025 0.000 0.991 40 V HN 0.473 nan 8.190 nan 0.000 0.434 41 L N 3.778 124.988 121.223 -0.021 0.000 2.296 41 L HA 0.680 5.020 4.340 -0.001 0.000 0.286 41 L C 0.852 177.671 176.870 -0.084 0.000 1.023 41 L CA -0.379 54.422 54.840 -0.064 0.000 0.812 41 L CB 1.610 43.650 42.059 -0.032 0.000 1.223 41 L HN 0.798 nan 8.230 nan 0.000 0.421 42 G N 1.467 110.084 108.800 -0.305 0.000 2.476 42 G HA2 0.571 4.531 3.960 -0.001 0.000 0.269 42 G HA3 0.571 4.531 3.960 -0.001 0.000 0.269 42 G C -0.247 174.529 174.900 -0.207 0.000 1.195 42 G CA -0.189 44.589 45.100 -0.536 0.000 0.843 42 G HN 0.735 nan 8.290 nan 0.000 0.545 43 G N -0.634 108.220 108.800 0.089 0.000 2.620 43 G HA2 0.595 4.554 3.960 -0.001 0.000 0.301 43 G HA3 0.595 4.554 3.960 -0.001 0.000 0.301 43 G C -1.262 173.766 174.900 0.213 0.000 1.347 43 G CA -0.691 44.522 45.100 0.190 0.000 0.971 43 G HN 0.636 nan 8.290 nan 0.000 0.488 44 L N 0.826 121.947 121.223 -0.170 0.000 2.409 44 L HA 0.668 5.008 4.340 -0.001 0.000 0.272 44 L C -1.323 175.232 176.870 -0.524 0.000 0.980 44 L CA -0.609 54.162 54.840 -0.116 0.000 0.826 44 L CB 2.070 44.132 42.059 0.005 0.000 1.268 44 L HN 0.440 nan 8.230 nan 0.000 0.407 45 F N 2.572 122.607 119.950 0.143 0.000 2.601 45 F HA 0.429 4.955 4.527 -0.000 0.000 0.309 45 F C -2.186 173.636 175.800 0.037 0.000 1.089 45 F CA -1.798 56.274 58.000 0.119 0.000 0.940 45 F CB 2.076 41.088 39.000 0.021 0.000 1.273 45 F HN 0.241 nan 8.300 nan 0.000 0.450 46 P HA 0.111 nan 4.420 nan 0.000 0.220 46 P C 0.864 178.196 177.300 0.054 0.000 1.806 46 P CA 0.095 63.288 63.100 0.155 0.000 0.976 46 P CB -0.210 31.653 31.700 0.271 0.000 1.952 47 I N -0.614 119.915 120.570 -0.067 0.000 2.194 47 I HA -0.159 4.010 4.170 -0.001 0.000 0.246 47 I C 1.144 177.174 176.117 -0.145 0.000 1.093 47 I CA 1.308 62.469 61.300 -0.232 0.000 1.355 47 I CB -1.069 36.501 38.000 -0.717 0.000 1.046 47 I HN 0.264 nan 8.210 nan 0.000 0.413 48 N N 0.587 119.213 118.700 -0.123 0.000 2.362 48 N HA 0.213 4.952 4.740 -0.001 0.000 0.299 48 N C -0.143 175.335 175.510 -0.054 0.000 1.170 48 N CA -0.506 52.505 53.050 -0.064 0.000 0.825 48 N CB 2.126 40.577 38.487 -0.061 0.000 1.299 48 N HN -0.027 nan 8.380 nan 0.000 0.502 49 E N 0.776 120.952 120.200 -0.041 0.000 2.369 49 E HA 0.060 4.410 4.350 -0.001 0.000 0.255 49 E C -0.261 176.282 176.600 -0.095 0.000 1.172 49 E CA -0.222 56.150 56.400 -0.048 0.000 0.932 49 E CB 0.628 30.305 29.700 -0.039 0.000 1.040 49 E HN 0.268 nan 8.360 nan 0.000 0.454 50 K N 0.528 120.860 120.400 -0.114 0.000 2.448 50 K HA 0.177 4.496 4.320 -0.001 0.000 0.278 50 K C -0.064 176.472 176.600 -0.106 0.000 1.009 50 K CA 0.131 56.336 56.287 -0.138 0.000 0.995 50 K CB 0.273 32.688 32.500 -0.141 0.000 0.917 50 K HN 0.592 nan 8.250 nan 0.000 0.481 51 G N 2.314 111.046 108.800 -0.114 0.000 2.442 51 G HA2 0.086 4.045 3.960 -0.001 0.000 0.249 51 G HA3 0.086 4.045 3.960 -0.001 0.000 0.249 51 G C -0.262 174.604 174.900 -0.057 0.000 1.263 51 G CA -0.496 44.557 45.100 -0.079 0.000 0.846 51 G HN 0.712 nan 8.290 nan 0.000 0.555 52 T N 0.155 114.684 114.554 -0.042 0.000 2.856 52 T HA 0.576 4.926 4.350 -0.001 0.000 0.292 52 T C 1.364 176.052 174.700 -0.021 0.000 0.980 52 T CA 0.492 62.572 62.100 -0.033 0.000 1.091 52 T CB 1.282 70.130 68.868 -0.033 0.000 0.936 52 T HN 2.100 nan 8.240 nan 0.000 0.503 53 G N 3.518 112.309 108.800 -0.015 0.000 2.602 53 G HA2 -0.418 3.542 3.960 -0.001 0.000 0.310 53 G HA3 -0.418 3.542 3.960 -0.001 0.000 0.310 53 G C 1.217 176.115 174.900 -0.004 0.000 1.183 53 G CA 1.670 46.766 45.100 -0.007 0.000 0.979 53 G HN 1.723 nan 8.290 nan 0.000 0.545 54 T N 0.434 114.988 114.554 0.000 0.000 2.896 54 T HA 0.198 4.547 4.350 -0.001 0.000 0.263 54 T C 1.213 175.916 174.700 0.006 0.000 1.050 54 T CA 1.567 63.671 62.100 0.006 0.000 1.140 54 T CB -0.462 68.411 68.868 0.009 0.000 0.877 54 T HN 1.176 nan 8.240 nan 0.000 0.457 55 E N 1.553 121.753 120.200 0.000 0.000 2.415 55 E HA 0.090 4.440 4.350 -0.001 0.000 0.262 55 E C 0.354 176.942 176.600 -0.021 0.000 1.038 55 E CA -0.199 56.199 56.400 -0.003 0.000 0.921 55 E CB 0.707 30.403 29.700 -0.006 0.000 0.950 55 E HN 0.450 nan 8.360 nan 0.000 0.438 56 E N 1.082 121.265 120.200 -0.028 0.000 2.250 56 E HA 0.051 4.401 4.350 -0.001 0.000 0.192 56 E C -0.204 176.270 176.600 -0.209 0.000 0.986 56 E CA 0.311 56.661 56.400 -0.085 0.000 0.849 56 E CB 0.395 30.083 29.700 -0.021 0.000 0.797 56 E HN 0.480 nan 8.360 nan 0.000 0.482 57 c N -0.083 118.419 118.600 -0.164 0.000 2.634 57 c HA 0.713 5.283 4.570 -0.001 0.000 0.313 57 c C 0.865 174.910 174.090 -0.075 0.000 1.198 57 c CA -0.955 55.272 56.329 -0.169 0.000 1.605 57 c CB 1.244 43.653 42.510 -0.168 0.000 2.196 57 c HN 0.413 nan 8.230 nan 0.000 0.486 58 G N 1.130 109.892 108.800 -0.064 0.000 3.341 58 G HA2 0.518 4.477 3.960 -0.001 0.000 0.177 58 G HA3 0.518 4.477 3.960 -0.001 0.000 0.177 58 G C -0.399 174.497 174.900 -0.007 0.000 1.236 58 G CA -0.594 44.487 45.100 -0.032 0.000 0.888 58 G HN 0.737 nan 8.290 nan 0.000 0.644 59 R N -0.509 119.985 120.500 -0.009 0.000 2.707 59 R HA 0.255 4.595 4.340 -0.001 0.000 0.270 59 R C 0.035 176.347 176.300 0.021 0.000 1.083 59 R CA -0.445 55.659 56.100 0.007 0.000 1.182 59 R CB 0.470 30.764 30.300 -0.012 0.000 1.084 59 R HN 0.183 nan 8.270 nan 0.000 0.528 60 I N 2.065 122.665 120.570 0.050 0.000 2.588 60 I HA -0.062 4.107 4.170 -0.001 0.000 0.283 60 I C 0.373 176.531 176.117 0.069 0.000 1.119 60 I CA -0.026 61.324 61.300 0.082 0.000 1.419 60 I CB 0.440 38.538 38.000 0.163 0.000 1.394 60 I HN 0.509 nan 8.210 nan 0.000 0.562 61 N N 5.959 124.693 118.700 0.057 0.000 2.558 61 N HA 0.107 4.846 4.740 -0.001 0.000 0.233 61 N C 0.852 176.412 175.510 0.084 0.000 1.038 61 N CA -0.136 52.945 53.050 0.052 0.000 0.934 61 N CB 0.593 39.103 38.487 0.039 0.000 1.175 61 N HN 0.442 nan 8.380 nan 0.000 0.512 62 E N 1.817 122.102 120.200 0.141 0.000 2.017 62 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 62 E C 0.211 176.893 176.600 0.137 0.000 0.997 62 E CA 1.438 57.992 56.400 0.257 0.000 0.804 62 E CB 0.161 30.068 29.700 0.345 0.000 0.757 62 E HN 0.575 nan 8.360 nan 0.000 0.448 63 D N 0.141 120.594 120.400 0.088 0.000 2.106 63 D HA -0.023 4.617 4.640 -0.001 0.000 0.203 63 D C 1.889 178.176 176.300 -0.022 0.000 0.977 63 D CA 0.871 54.886 54.000 0.025 0.000 0.844 63 D CB -0.068 40.739 40.800 0.012 0.000 1.002 63 D HN -0.033 nan 8.370 nan 0.000 0.461 64 R N 0.040 120.537 120.500 -0.006 0.000 2.280 64 R HA 0.134 4.474 4.340 -0.001 0.000 0.207 64 R C 1.697 178.020 176.300 0.037 0.000 1.043 64 R CA 0.782 56.885 56.100 0.004 0.000 1.006 64 R CB 0.150 30.448 30.300 -0.003 0.000 0.885 64 R HN 0.167 nan 8.270 nan 0.000 0.467 65 G N 0.685 109.493 108.800 0.012 0.000 2.764 65 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.218 65 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.218 65 G C 1.244 176.078 174.900 -0.109 0.000 1.304 65 G CA -0.299 44.800 45.100 -0.002 0.000 0.847 65 G HN -0.065 nan 8.290 nan 0.000 0.610 66 I N 1.235 121.736 120.570 -0.115 0.000 2.127 66 I HA -0.175 3.995 4.170 -0.001 0.000 0.241 66 I C 2.851 178.889 176.117 -0.133 0.000 1.075 66 I CA 1.344 62.542 61.300 -0.169 0.000 1.334 66 I CB -1.127 36.618 38.000 -0.425 0.000 1.040 66 I HN 0.304 nan 8.210 nan 0.000 0.405 67 Q N 0.226 119.927 119.800 -0.166 0.000 2.061 67 Q HA -0.216 4.123 4.340 -0.001 0.000 0.204 67 Q C 2.414 178.278 176.000 -0.227 0.000 0.984 67 Q CA 1.657 57.297 55.803 -0.271 0.000 0.846 67 Q CB -0.116 28.425 28.738 -0.328 0.000 0.902 67 Q HN 0.477 nan 8.270 nan 0.000 0.421 68 R N 0.307 120.644 120.500 -0.272 0.000 2.096 68 R HA -0.106 4.233 4.340 -0.001 0.000 0.235 68 R C 2.411 178.306 176.300 -0.675 0.000 1.127 68 R CA 0.888 56.769 56.100 -0.364 0.000 0.968 68 R CB -0.407 29.780 30.300 -0.189 0.000 0.861 68 R HN 0.311 nan 8.270 nan 0.000 0.440 69 L N 1.142 121.850 121.223 -0.860 0.000 1.994 69 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 69 L C 1.967 178.616 176.870 -0.367 0.000 1.071 69 L CA 1.656 55.845 54.840 -1.085 0.000 0.745 69 L CB -0.203 41.489 42.059 -0.611 0.000 0.892 69 L HN 0.182 nan 8.230 nan 0.000 0.431 70 E N 0.266 120.444 120.200 -0.037 0.000 2.153 70 E HA -0.192 4.158 4.350 -0.001 0.000 0.194 70 E C 2.116 178.944 176.600 0.379 0.000 0.988 70 E CA 1.187 57.772 56.400 0.309 0.000 0.811 70 E CB -0.214 29.841 29.700 0.592 0.000 0.746 70 E HN 0.627 nan 8.360 nan 0.000 0.466 71 A N 1.086 123.997 122.820 0.151 0.000 1.933 71 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 71 A C 2.198 179.844 177.584 0.103 0.000 1.175 71 A CA 1.648 53.671 52.037 -0.024 0.000 0.628 71 A CB -0.468 18.199 19.000 -0.555 0.000 0.814 71 A HN 0.279 nan 8.150 nan 0.000 0.444 72 M N -1.273 118.340 119.600 0.022 0.000 2.200 72 M HA -0.040 4.440 4.480 -0.001 0.000 0.265 72 M C 1.638 177.997 176.300 0.098 0.000 1.066 72 M CA 1.279 56.644 55.300 0.108 0.000 1.127 72 M CB -0.099 32.620 32.600 0.198 0.000 1.379 72 M HN 0.296 nan 8.290 nan 0.000 0.420 73 L N 0.166 121.445 121.223 0.093 0.000 2.046 73 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 73 L C 2.244 179.114 176.870 0.001 0.000 1.077 73 L CA 1.823 56.716 54.840 0.089 0.000 0.747 73 L CB -1.569 40.589 42.059 0.165 0.000 0.896 73 L HN 0.407 nan 8.230 nan 0.000 0.432 74 F N 0.541 120.338 119.950 -0.255 0.000 2.069 74 F HA -0.252 4.274 4.527 -0.001 0.000 0.298 74 F C 2.349 178.058 175.800 -0.151 0.000 1.113 74 F CA 1.631 59.329 58.000 -0.503 0.000 1.214 74 F CB -0.625 38.096 39.000 -0.465 0.000 0.978 74 F HN 0.053 nan 8.300 nan 0.000 0.474 75 A N 1.059 123.803 122.820 -0.126 0.000 1.908 75 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 75 A C 2.290 179.782 177.584 -0.153 0.000 1.181 75 A CA 1.874 53.875 52.037 -0.060 0.000 0.627 75 A CB -1.105 18.025 19.000 0.217 0.000 0.818 75 A HN 0.468 nan 8.150 nan 0.000 0.445 76 I N 0.361 120.867 120.570 -0.106 0.000 2.226 76 I HA -0.202 3.968 4.170 -0.001 0.000 0.245 76 I C 1.862 177.905 176.117 -0.122 0.000 1.100 76 I CA 1.653 62.889 61.300 -0.107 0.000 1.374 76 I CB -1.423 36.558 38.000 -0.031 0.000 1.057 76 I HN 0.298 nan 8.210 nan 0.000 0.413 77 D N 0.789 121.112 120.400 -0.130 0.000 2.097 77 D HA -0.171 4.469 4.640 -0.001 0.000 0.195 77 D C 2.122 178.347 176.300 -0.126 0.000 0.989 77 D CA 1.068 55.004 54.000 -0.108 0.000 0.827 77 D CB -0.116 40.628 40.800 -0.094 0.000 0.966 77 D HN 0.285 nan 8.370 nan 0.000 0.456 78 E N 0.598 120.671 120.200 -0.211 0.000 2.038 78 E HA -0.138 4.211 4.350 -0.001 0.000 0.195 78 E C 2.537 179.115 176.600 -0.037 0.000 1.000 78 E CA 0.423 56.767 56.400 -0.093 0.000 0.803 78 E CB -0.424 29.260 29.700 -0.027 0.000 0.750 78 E HN 0.402 nan 8.360 nan 0.000 0.448 79 I N 1.797 122.284 120.570 -0.139 0.000 2.264 79 I HA -0.269 3.901 4.170 -0.001 0.000 0.248 79 I C 1.720 177.755 176.117 -0.138 0.000 1.111 79 I CA 0.899 62.067 61.300 -0.221 0.000 1.382 79 I CB -0.330 37.427 38.000 -0.405 0.000 1.060 79 I HN 0.020 nan 8.210 nan 0.000 0.418 80 N N 0.968 119.603 118.700 -0.108 0.000 2.550 80 N HA -0.088 4.652 4.740 -0.001 0.000 0.186 80 N C 1.170 176.646 175.510 -0.056 0.000 1.110 80 N CA 0.914 53.919 53.050 -0.075 0.000 0.912 80 N CB 0.022 38.475 38.487 -0.057 0.000 0.968 80 N HN 0.462 nan 8.380 nan 0.000 0.448 81 K N -0.249 120.124 120.400 -0.046 0.000 2.374 81 K HA 0.078 4.397 4.320 -0.001 0.000 0.202 81 K C -0.271 176.311 176.600 -0.030 0.000 1.040 81 K CA -0.191 56.080 56.287 -0.027 0.000 1.085 81 K CB 0.796 33.295 32.500 -0.002 0.000 0.873 81 K HN -0.055 nan 8.250 nan 0.000 0.539 82 D N 1.387 121.761 120.400 -0.044 0.000 2.380 82 D HA 0.075 4.715 4.640 -0.001 0.000 0.230 82 D C 0.322 176.547 176.300 -0.125 0.000 1.154 82 D CA -0.047 53.928 54.000 -0.042 0.000 0.859 82 D CB 0.641 41.435 40.800 -0.011 0.000 1.045 82 D HN -0.049 nan 8.370 nan 0.000 0.495 83 N N 2.749 121.313 118.700 -0.226 0.000 2.520 83 N HA -0.142 4.598 4.740 -0.001 0.000 0.185 83 N C 0.535 175.704 175.510 -0.568 0.000 1.068 83 N CA 0.661 53.463 53.050 -0.413 0.000 0.911 83 N CB 0.157 38.316 38.487 -0.546 0.000 0.961 83 N HN 0.596 nan 8.380 nan 0.000 0.446 84 Y N -0.479 119.780 120.300 -0.069 0.000 2.444 84 Y HA 0.279 4.828 4.550 -0.001 0.000 0.249 84 Y C 0.242 175.972 175.900 -0.283 0.000 1.134 84 Y CA -0.497 57.543 58.100 -0.099 0.000 1.261 84 Y CB 0.757 39.179 38.460 -0.062 0.000 1.143 84 Y HN -0.099 nan 8.280 nan 0.000 0.523 85 L N 0.652 121.735 121.223 -0.234 0.000 2.377 85 L HA 0.463 4.803 4.340 -0.001 0.000 0.270 85 L C -0.545 176.146 176.870 -0.299 0.000 0.991 85 L CA -1.141 53.399 54.840 -0.500 0.000 0.851 85 L CB 0.975 42.798 42.059 -0.392 0.000 1.218 85 L HN 0.085 nan 8.230 nan 0.000 0.420 86 L N 5.435 126.576 121.223 -0.137 0.000 3.597 86 L HA -0.114 4.226 4.340 -0.001 0.000 0.440 86 L C -2.141 174.735 176.870 0.011 0.000 1.277 86 L CA 0.580 55.477 54.840 0.094 0.000 0.852 86 L CB -1.677 40.371 42.059 -0.017 0.000 1.708 86 L HN 0.568 nan 8.230 nan 0.000 0.885 87 P HA 0.366 nan 4.420 nan 0.000 0.275 87 P C 1.160 178.456 177.300 -0.008 0.000 1.227 87 P CA 1.073 64.152 63.100 -0.035 0.000 0.781 87 P CB 1.347 33.011 31.700 -0.060 0.000 0.906 88 G N 1.385 110.172 108.800 -0.023 0.000 2.179 88 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.260 88 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.260 88 G C -0.129 174.765 174.900 -0.009 0.000 0.977 88 G CA 0.067 45.159 45.100 -0.014 0.000 0.641 88 G HN 0.561 nan 8.290 nan 0.000 0.533 89 V N 1.622 121.531 119.914 -0.008 0.000 2.385 89 V HA 0.390 4.510 4.120 -0.001 0.000 0.277 89 V C 0.443 176.524 176.094 -0.021 0.000 1.012 89 V CA -0.875 61.420 62.300 -0.008 0.000 0.832 89 V CB 1.502 33.327 31.823 0.003 0.000 1.028 89 V HN 0.375 nan 8.190 nan 0.000 0.436 90 K N 4.710 125.097 120.400 -0.021 0.000 2.368 90 K HA 0.444 4.764 4.320 -0.001 0.000 0.282 90 K C -0.741 175.844 176.600 -0.026 0.000 1.035 90 K CA -0.379 55.892 56.287 -0.027 0.000 0.973 90 K CB 0.687 33.175 32.500 -0.020 0.000 0.957 90 K HN 0.545 nan 8.250 nan 0.000 0.474 91 L N 3.829 125.030 121.223 -0.036 0.000 2.275 91 L HA 0.346 4.686 4.340 -0.001 0.000 0.288 91 L C 0.779 177.640 176.870 -0.014 0.000 1.046 91 L CA -0.563 54.258 54.840 -0.032 0.000 0.805 91 L CB 1.535 43.561 42.059 -0.055 0.000 1.193 91 L HN 0.836 nan 8.230 nan 0.000 0.426 92 G N 2.290 111.090 108.800 -0.000 0.000 2.613 92 G HA2 0.719 4.679 3.960 -0.001 0.000 0.303 92 G HA3 0.719 4.679 3.960 -0.001 0.000 0.303 92 G C -0.763 174.162 174.900 0.042 0.000 1.312 92 G CA -0.377 44.734 45.100 0.019 0.000 1.036 92 G HN 0.518 nan 8.290 nan 0.000 0.513 93 V N -3.716 116.244 119.914 0.077 0.000 3.188 93 V HA 0.734 4.854 4.120 -0.001 0.000 0.305 93 V C -1.253 174.971 176.094 0.217 0.000 1.232 93 V CA -1.031 61.348 62.300 0.133 0.000 1.043 93 V CB 1.791 33.709 31.823 0.159 0.000 1.068 93 V HN 1.040 nan 8.190 nan 0.000 0.439 94 H N 2.077 121.240 119.070 0.155 0.000 2.974 94 H HA 0.632 5.187 4.556 -0.001 0.000 0.285 94 H C -1.364 174.183 175.328 0.365 0.000 1.227 94 H CA -0.734 55.465 56.048 0.252 0.000 1.569 94 H CB 1.123 31.066 29.762 0.300 0.000 1.648 94 H HN 0.743 nan 8.280 nan 0.000 0.521 95 I N 6.141 127.025 120.570 0.523 0.000 2.359 95 I HA 0.255 4.424 4.170 -0.001 0.000 0.294 95 I C -0.528 175.890 176.117 0.503 0.000 0.987 95 I CA -0.546 61.054 61.300 0.499 0.000 1.225 95 I CB 1.549 39.845 38.000 0.493 0.000 1.366 95 I HN 0.351 nan 8.210 nan 0.000 0.466 96 L N 4.516 125.981 121.223 0.403 0.000 2.341 96 L HA 0.501 4.840 4.340 -0.001 0.000 0.267 96 L C -0.446 176.562 176.870 0.231 0.000 1.009 96 L CA -0.912 54.118 54.840 0.316 0.000 0.819 96 L CB 1.990 44.094 42.059 0.075 0.000 1.323 96 L HN 0.474 nan 8.230 nan 0.000 0.425 97 D N -0.012 120.510 120.400 0.203 0.000 2.302 97 D HA 0.151 4.791 4.640 -0.001 0.000 0.248 97 D C 0.720 177.157 176.300 0.228 0.000 1.094 97 D CA -0.076 53.961 54.000 0.061 0.000 0.897 97 D CB 1.853 42.673 40.800 0.034 0.000 1.200 97 D HN 0.680 nan 8.370 nan 0.000 0.429 98 T N -1.126 113.522 114.554 0.156 0.000 3.040 98 T HA 0.037 4.387 4.350 -0.001 0.000 0.250 98 T C 1.373 176.138 174.700 0.108 0.000 1.058 98 T CA 0.035 62.265 62.100 0.216 0.000 0.988 98 T CB -0.728 68.222 68.868 0.137 0.000 0.993 98 T HN 0.555 nan 8.240 nan 0.000 0.519 99 c N 1.791 120.348 118.600 -0.073 0.000 4.184 99 c HA -0.199 4.371 4.570 -0.001 0.000 0.295 99 c C 1.318 175.296 174.090 -0.186 0.000 1.477 99 c CA 0.414 56.596 56.329 -0.245 0.000 2.037 99 c CB -3.199 38.914 42.510 -0.663 0.000 1.282 99 c HN 0.872 nan 8.230 nan 0.000 0.783 100 S N -1.677 113.957 115.700 -0.110 0.000 3.521 100 S HA -0.220 4.250 4.470 -0.001 0.000 0.328 100 S C 0.021 174.399 174.600 -0.369 0.000 1.165 100 S CA 1.626 59.659 58.200 -0.279 0.000 0.941 100 S CB -0.728 62.287 63.200 -0.307 0.000 0.951 100 S HN 0.871 nan 8.310 nan 0.000 0.539 101 R N 0.396 120.798 120.500 -0.163 0.000 2.514 101 R HA 0.242 4.582 4.340 -0.001 0.000 0.296 101 R C 0.543 176.841 176.300 -0.002 0.000 1.012 101 R CA -0.457 55.582 56.100 -0.103 0.000 0.897 101 R CB 1.186 31.460 30.300 -0.043 0.000 1.184 101 R HN 0.221 nan 8.270 nan 0.000 0.440 102 D N 1.332 121.718 120.400 -0.025 0.000 2.116 102 D HA -0.247 4.392 4.640 -0.001 0.000 0.193 102 D C 1.499 177.816 176.300 0.029 0.000 0.998 102 D CA 2.453 56.459 54.000 0.010 0.000 0.836 102 D CB -0.529 40.273 40.800 0.003 0.000 0.951 102 D HN 0.592 nan 8.370 nan 0.000 0.449 103 T N -2.859 111.715 114.554 0.034 0.000 2.788 103 T HA -0.249 4.101 4.350 -0.001 0.000 0.268 103 T C 2.095 176.821 174.700 0.042 0.000 1.044 103 T CA 1.159 63.278 62.100 0.033 0.000 1.139 103 T CB -1.070 67.818 68.868 0.035 0.000 0.867 103 T HN 0.286 nan 8.240 nan 0.000 0.454 104 Y N 2.131 122.411 120.300 -0.033 0.000 2.200 104 Y HA 0.211 4.761 4.550 -0.001 0.000 0.290 104 Y C 2.824 178.703 175.900 -0.036 0.000 1.137 104 Y CA 0.919 59.001 58.100 -0.030 0.000 1.163 104 Y CB -0.769 37.676 38.460 -0.026 0.000 0.988 104 Y HN 0.299 nan 8.280 nan 0.000 0.518 105 A N 0.440 123.328 122.820 0.113 0.000 1.933 105 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 105 A C 2.336 179.878 177.584 -0.069 0.000 1.175 105 A CA 1.650 53.708 52.037 0.035 0.000 0.628 105 A CB -1.143 17.897 19.000 0.067 0.000 0.814 105 A HN 0.615 nan 8.150 nan 0.000 0.444 106 L N -0.444 120.749 121.223 -0.051 0.000 2.017 106 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 106 L C 2.475 179.268 176.870 -0.128 0.000 1.073 106 L CA 2.219 57.021 54.840 -0.062 0.000 0.745 106 L CB -0.504 41.539 42.059 -0.027 0.000 0.894 106 L HN 0.533 nan 8.230 nan 0.000 0.432 107 E N -0.804 119.292 120.200 -0.173 0.000 2.077 107 E HA -0.245 4.105 4.350 -0.001 0.000 0.193 107 E C 2.180 178.606 176.600 -0.289 0.000 0.989 107 E CA 0.929 57.199 56.400 -0.216 0.000 0.800 107 E CB -0.002 29.551 29.700 -0.246 0.000 0.746 107 E HN 0.536 nan 8.360 nan 0.000 0.452 108 Q N 0.393 119.970 119.800 -0.372 0.000 2.061 108 Q HA -0.115 4.225 4.340 -0.001 0.000 0.204 108 Q C 2.361 178.050 176.000 -0.519 0.000 0.984 108 Q CA 1.177 56.737 55.803 -0.406 0.000 0.846 108 Q CB -0.357 28.172 28.738 -0.348 0.000 0.902 108 Q HN 0.147 nan 8.270 nan 0.000 0.421 109 S N 1.190 116.610 115.700 -0.466 0.000 2.440 109 S HA -0.112 4.357 4.470 -0.001 0.000 0.238 109 S C 1.819 176.165 174.600 -0.424 0.000 1.010 109 S CA 0.451 58.316 58.200 -0.560 0.000 0.972 109 S CB -0.143 62.961 63.200 -0.160 0.000 0.774 109 S HN 0.167 nan 8.310 nan 0.000 0.501 110 L N 1.668 122.709 121.223 -0.304 0.000 2.187 110 L HA -0.079 4.261 4.340 -0.001 0.000 0.213 110 L C 2.255 178.980 176.870 -0.242 0.000 1.100 110 L CA 1.532 56.236 54.840 -0.228 0.000 0.765 110 L CB -1.038 40.920 42.059 -0.168 0.000 0.904 110 L HN 0.167 nan 8.230 nan 0.000 0.437 111 E N -1.035 118.966 120.200 -0.331 0.000 2.153 111 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 111 E C 2.155 178.708 176.600 -0.079 0.000 0.988 111 E CA 1.219 57.479 56.400 -0.233 0.000 0.811 111 E CB -0.245 29.248 29.700 -0.346 0.000 0.746 111 E HN 0.542 nan 8.360 nan 0.000 0.466 112 F N -0.913 118.963 119.950 -0.123 0.000 2.325 112 F HA -0.106 4.420 4.527 -0.001 0.000 0.299 112 F C 2.029 177.724 175.800 -0.175 0.000 1.090 112 F CA 0.438 58.376 58.000 -0.105 0.000 1.392 112 F CB 0.131 39.066 39.000 -0.108 0.000 1.053 112 F HN 0.044 nan 8.300 nan 0.000 0.521 113 V N -2.326 117.499 119.914 -0.148 0.000 3.307 113 V HA 0.088 4.208 4.120 -0.001 0.000 0.253 113 V C 1.847 177.734 176.094 -0.344 0.000 1.149 113 V CA 0.388 62.397 62.300 -0.485 0.000 1.112 113 V CB -0.391 30.699 31.823 -1.223 0.000 0.777 113 V HN 0.136 nan 8.190 nan 0.000 0.464 114 R N 1.402 121.791 120.500 -0.186 0.000 2.148 114 R HA 0.147 4.487 4.340 -0.001 0.000 0.227 114 R C 2.495 178.775 176.300 -0.033 0.000 1.103 114 R CA 1.262 57.309 56.100 -0.089 0.000 0.983 114 R CB -0.568 29.699 30.300 -0.055 0.000 0.874 114 R HN 0.601 nan 8.270 nan 0.000 0.451 115 A N 1.700 124.514 122.820 -0.011 0.000 1.892 115 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 115 A C 1.812 179.409 177.584 0.022 0.000 1.188 115 A CA 1.870 53.927 52.037 0.033 0.000 0.631 115 A CB -0.526 18.526 19.000 0.086 0.000 0.822 115 A HN 0.390 nan 8.150 nan 0.000 0.447 116 S N -0.842 114.862 115.700 0.007 0.000 3.227 116 S HA 0.481 4.950 4.470 -0.001 0.000 0.249 116 S C -0.108 174.525 174.600 0.055 0.000 1.322 116 S CA -0.205 58.017 58.200 0.038 0.000 1.253 116 S CB -0.806 62.431 63.200 0.062 0.000 1.076 116 S HN 0.160 nan 8.310 nan 0.000 0.471 139 P HA 0.364 nan 4.420 nan 0.000 0.282 139 P C -0.587 176.725 177.300 0.021 0.000 1.274 139 P CA 0.179 63.291 63.100 0.020 0.000 0.770 139 P CB 0.927 32.646 31.700 0.032 0.000 0.867 140 L N 3.692 124.930 121.223 0.025 0.000 2.305 140 L HA 0.229 4.569 4.340 -0.001 0.000 0.281 140 L C 0.830 177.748 176.870 0.079 0.000 1.085 140 L CA -1.196 53.664 54.840 0.033 0.000 0.813 140 L CB 0.833 42.891 42.059 -0.002 0.000 1.157 140 L HN 0.318 nan 8.230 nan 0.000 0.436 141 L N 5.225 126.476 121.223 0.048 0.000 2.410 141 L HA 0.194 4.534 4.340 -0.001 0.000 0.273 141 L C -0.182 176.709 176.870 0.036 0.000 1.144 141 L CA 0.408 55.274 54.840 0.043 0.000 0.863 141 L CB 0.189 42.264 42.059 0.028 0.000 1.140 141 L HN 0.276 nan 8.230 nan 0.000 0.463 142 I N 5.950 126.536 120.570 0.027 0.000 2.315 142 I HA 0.234 4.403 4.170 -0.001 0.000 0.291 142 I C 1.193 177.287 176.117 -0.039 0.000 1.006 142 I CA -0.117 61.166 61.300 -0.030 0.000 1.265 142 I CB 0.507 38.444 38.000 -0.104 0.000 1.387 142 I HN 0.808 nan 8.210 nan 0.000 0.475 143 A N 5.197 127.990 122.820 -0.045 0.000 1.930 143 A HA 0.446 4.766 4.320 -0.001 0.000 0.215 143 A C 1.053 178.608 177.584 -0.048 0.000 1.176 143 A CA 1.091 53.110 52.037 -0.031 0.000 0.632 143 A CB -0.106 18.877 19.000 -0.028 0.000 0.819 143 A HN 0.826 nan 8.150 nan 0.000 0.445 144 G N -2.539 106.203 108.800 -0.096 0.000 2.601 144 G HA2 0.485 4.445 3.960 -0.001 0.000 0.291 144 G HA3 0.485 4.445 3.960 -0.001 0.000 0.291 144 G C -1.758 173.033 174.900 -0.183 0.000 1.456 144 G CA -0.237 44.795 45.100 -0.113 0.000 0.804 144 G HN 0.378 nan 8.290 nan 0.000 0.499 145 V N 1.563 121.373 119.914 -0.173 0.000 2.495 145 V HA 0.497 4.616 4.120 -0.001 0.000 0.298 145 V C -0.495 175.539 176.094 -0.100 0.000 1.031 145 V CA -0.885 61.281 62.300 -0.223 0.000 0.871 145 V CB 1.696 33.370 31.823 -0.248 0.000 0.988 145 V HN 0.599 nan 8.190 nan 0.000 0.432 146 I N 4.447 124.979 120.570 -0.063 0.000 2.328 146 I HA 0.817 4.986 4.170 -0.001 0.000 0.287 146 I C 0.630 176.738 176.117 -0.014 0.000 1.012 146 I CA 0.359 61.677 61.300 0.029 0.000 1.195 146 I CB 0.480 38.562 38.000 0.137 0.000 1.350 146 I HN 0.882 nan 8.210 nan 0.000 0.464 147 G N 3.541 112.293 108.800 -0.080 0.000 2.368 147 G HA2 0.521 4.480 3.960 -0.001 0.000 0.302 147 G HA3 0.521 4.480 3.960 -0.001 0.000 0.302 147 G C -0.606 174.127 174.900 -0.278 0.000 1.329 147 G CA -0.013 44.932 45.100 -0.258 0.000 0.935 147 G HN 1.067 nan 8.290 nan 0.000 0.590 148 G N -1.429 107.170 108.800 -0.335 0.000 3.363 148 G HA2 0.415 4.375 3.960 -0.001 0.000 0.685 148 G HA3 0.415 4.375 3.960 -0.001 0.000 0.685 148 G C 0.311 174.993 174.900 -0.363 0.000 1.199 148 G CA 0.537 45.526 45.100 -0.186 0.000 0.946 148 G HN 1.610 nan 8.290 nan 0.000 0.558 149 S N 0.757 116.374 115.700 -0.138 0.000 2.433 149 S HA 0.269 4.739 4.470 -0.001 0.000 0.216 149 S C 0.868 175.362 174.600 -0.176 0.000 1.031 149 S CA 0.394 58.513 58.200 -0.136 0.000 0.931 149 S CB -0.099 63.123 63.200 0.037 0.000 0.875 149 S HN 0.571 nan 8.310 nan 0.000 0.553 150 Y N 2.681 122.925 120.300 -0.093 0.000 2.620 150 Y HA 0.076 4.625 4.550 -0.001 0.000 0.330 150 Y C 1.833 177.677 175.900 -0.094 0.000 1.186 150 Y CA -0.062 57.969 58.100 -0.115 0.000 1.467 150 Y CB 0.303 38.716 38.460 -0.079 0.000 1.262 150 Y HN 0.144 nan 8.280 nan 0.000 0.550 151 S N 1.103 116.827 115.700 0.040 0.000 2.383 151 S HA -0.247 4.222 4.470 -0.001 0.000 0.229 151 S C 2.183 176.781 174.600 -0.004 0.000 1.030 151 S CA 1.618 59.827 58.200 0.016 0.000 1.002 151 S CB -0.397 62.862 63.200 0.098 0.000 0.829 151 S HN 0.874 nan 8.310 nan 0.000 0.467 152 S N 1.587 117.330 115.700 0.072 0.000 2.382 152 S HA -0.100 4.370 4.470 -0.001 0.000 0.228 152 S C 2.077 176.683 174.600 0.010 0.000 1.027 152 S CA 1.192 59.413 58.200 0.034 0.000 0.991 152 S CB -0.879 62.352 63.200 0.052 0.000 0.823 152 S HN 0.504 nan 8.310 nan 0.000 0.469 153 V N 0.669 120.606 119.914 0.039 0.000 2.407 153 V HA -0.024 4.095 4.120 -0.001 0.000 0.245 153 V C 2.204 178.298 176.094 -0.001 0.000 1.041 153 V CA 2.069 64.385 62.300 0.028 0.000 1.040 153 V CB -1.233 30.625 31.823 0.059 0.000 0.671 153 V HN 0.483 nan 8.190 nan 0.000 0.455 154 S N 0.645 116.328 115.700 -0.029 0.000 2.359 154 S HA -0.113 4.357 4.470 -0.001 0.000 0.224 154 S C 1.808 176.298 174.600 -0.184 0.000 1.035 154 S CA 2.267 60.427 58.200 -0.067 0.000 1.018 154 S CB -0.537 62.614 63.200 -0.081 0.000 0.876 154 S HN 0.665 nan 8.310 nan 0.000 0.448 155 I N 1.494 121.907 120.570 -0.261 0.000 2.099 155 I HA -0.231 3.939 4.170 -0.001 0.000 0.239 155 I C 2.761 178.842 176.117 -0.060 0.000 1.066 155 I CA 1.193 62.299 61.300 -0.323 0.000 1.324 155 I CB -0.385 37.445 38.000 -0.284 0.000 1.037 155 I HN 0.276 nan 8.210 nan 0.000 0.401 156 Q N 0.189 119.982 119.800 -0.012 0.000 2.084 156 Q HA -0.155 4.185 4.340 -0.001 0.000 0.202 156 Q C 2.455 178.487 176.000 0.054 0.000 0.978 156 Q CA 1.413 57.238 55.803 0.037 0.000 0.844 156 Q CB -0.572 28.180 28.738 0.024 0.000 0.898 156 Q HN 0.420 nan 8.270 nan 0.000 0.426 157 V N 1.226 121.167 119.914 0.046 0.000 2.407 157 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 157 V C 2.388 178.553 176.094 0.118 0.000 1.055 157 V CA 1.663 64.010 62.300 0.079 0.000 1.049 157 V CB -1.022 30.856 31.823 0.093 0.000 0.662 157 V HN 0.322 nan 8.190 nan 0.000 0.455 158 A N 0.424 123.314 122.820 0.116 0.000 1.933 158 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 158 A C 2.029 179.736 177.584 0.205 0.000 1.175 158 A CA 1.848 54.000 52.037 0.191 0.000 0.628 158 A CB -0.603 18.492 19.000 0.159 0.000 0.814 158 A HN 0.596 nan 8.150 nan 0.000 0.444 159 N N -0.387 118.424 118.700 0.184 0.000 2.309 159 N HA -0.111 4.629 4.740 -0.001 0.000 0.182 159 N C 1.524 177.098 175.510 0.106 0.000 1.018 159 N CA 1.401 54.531 53.050 0.134 0.000 0.876 159 N CB -0.345 38.210 38.487 0.113 0.000 0.972 159 N HN 0.505 nan 8.380 nan 0.000 0.434 160 L N 0.226 121.522 121.223 0.122 0.000 2.084 160 L HA 0.098 4.437 4.340 -0.001 0.000 0.202 160 L C 1.751 178.752 176.870 0.219 0.000 1.074 160 L CA 1.039 55.974 54.840 0.158 0.000 0.757 160 L CB -0.673 41.456 42.059 0.116 0.000 0.918 160 L HN -0.113 nan 8.230 nan 0.000 0.444 161 L N 0.722 122.044 121.223 0.165 0.000 2.079 161 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 161 L C 2.849 179.738 176.870 0.031 0.000 1.081 161 L CA 2.159 57.084 54.840 0.141 0.000 0.752 161 L CB -1.208 40.925 42.059 0.122 0.000 0.896 161 L HN 0.485 nan 8.230 nan 0.000 0.433 162 R N -1.312 119.184 120.500 -0.007 0.000 2.120 162 R HA -0.158 4.181 4.340 -0.001 0.000 0.234 162 R C 1.899 178.036 176.300 -0.273 0.000 1.123 162 R CA 1.103 57.082 56.100 -0.201 0.000 0.975 162 R CB -0.763 29.565 30.300 0.046 0.000 0.866 162 R HN 0.176 nan 8.270 nan 0.000 0.446 163 L N 0.357 121.506 121.223 -0.123 0.000 2.265 163 L HA -0.019 4.320 4.340 -0.001 0.000 0.215 163 L C 1.013 177.543 176.870 -0.567 0.000 1.117 163 L CA 1.466 56.118 54.840 -0.313 0.000 0.782 163 L CB -0.423 41.450 42.059 -0.309 0.000 0.914 163 L HN 0.164 nan 8.230 nan 0.000 0.441 164 F N -1.238 118.598 119.950 -0.190 0.000 2.698 164 F HA 0.254 4.781 4.527 0.000 0.000 0.304 164 F C 0.676 176.320 175.800 -0.259 0.000 1.108 164 F CA -0.769 57.134 58.000 -0.161 0.000 1.263 164 F CB -0.510 38.441 39.000 -0.082 0.000 1.013 164 F HN -0.001 nan 8.300 nan 0.000 0.532 165 Q N 0.948 120.484 119.800 -0.440 0.000 2.452 165 Q HA -0.210 4.130 4.340 -0.001 0.000 0.318 165 Q C -0.487 175.305 176.000 -0.346 0.000 1.386 165 Q CA 0.536 55.841 55.803 -0.830 0.000 0.872 165 Q CB -1.838 26.747 28.738 -0.255 0.000 1.151 165 Q HN 0.499 nan 8.270 nan 0.000 0.417 166 I N 1.999 122.412 120.570 -0.261 0.000 2.354 166 I HA 0.291 4.461 4.170 -0.001 0.000 0.286 166 I C -1.799 174.379 176.117 0.102 0.000 1.007 166 I CA -2.305 58.988 61.300 -0.011 0.000 1.167 166 I CB 1.165 39.166 38.000 0.002 0.000 1.320 166 I HN -0.080 nan 8.210 nan 0.000 0.458 167 P HA 0.005 nan 4.420 nan 0.000 0.269 167 P C -1.164 176.186 177.300 0.083 0.000 1.209 167 P CA -0.117 63.119 63.100 0.226 0.000 0.776 167 P CB 0.926 32.759 31.700 0.223 0.000 0.876 168 Q N 2.175 122.034 119.800 0.099 0.000 2.331 168 Q HA 0.561 4.900 4.340 -0.001 0.000 0.272 168 Q C -1.612 174.340 176.000 -0.081 0.000 1.062 168 Q CA -0.713 55.113 55.803 0.037 0.000 0.806 168 Q CB 1.519 30.354 28.738 0.161 0.000 1.312 168 Q HN 0.370 nan 8.270 nan 0.000 0.431 169 I N 2.285 122.795 120.570 -0.099 0.000 2.439 169 I HA 0.286 4.456 4.170 -0.001 0.000 0.285 169 I C -0.319 175.724 176.117 -0.123 0.000 1.021 169 I CA -0.657 60.564 61.300 -0.131 0.000 1.091 169 I CB 2.036 40.083 38.000 0.079 0.000 1.242 169 I HN 0.466 nan 8.210 nan 0.000 0.439 170 S N 4.431 119.982 115.700 -0.249 0.000 2.585 170 S HA 0.358 4.827 4.470 -0.001 0.000 0.277 170 S C 0.251 174.756 174.600 -0.159 0.000 1.241 170 S CA -0.374 57.687 58.200 -0.231 0.000 1.041 170 S CB 0.589 63.781 63.200 -0.014 0.000 0.987 170 S HN 0.534 nan 8.310 nan 0.000 0.512 171 Y N 2.080 122.425 120.300 0.075 0.000 2.507 171 Y HA 0.721 5.271 4.550 -0.001 0.000 0.254 171 Y C 0.869 176.794 175.900 0.041 0.000 1.171 171 Y CA -0.109 58.063 58.100 0.120 0.000 1.238 171 Y CB -0.372 38.197 38.460 0.182 0.000 1.148 171 Y HN 0.611 nan 8.280 nan 0.000 0.525 172 A N -1.038 121.682 122.820 -0.167 0.000 2.442 172 A HA 0.220 4.540 4.320 -0.001 0.000 0.158 172 A C 0.476 177.997 177.584 -0.105 0.000 1.759 172 A CA -0.124 51.863 52.037 -0.085 0.000 1.304 172 A CB -0.560 18.465 19.000 0.041 0.000 1.570 172 A HN 0.074 nan 8.150 nan 0.000 0.440 173 S N 2.274 117.916 115.700 -0.096 0.000 2.509 173 S HA 0.285 4.755 4.470 -0.001 0.000 0.287 173 S C 1.302 175.956 174.600 0.090 0.000 1.248 173 S CA 0.779 58.976 58.200 -0.004 0.000 1.089 173 S CB 0.624 63.841 63.200 0.029 0.000 0.900 173 S HN 0.671 nan 8.310 nan 0.000 0.496 174 T N -0.570 114.070 114.554 0.143 0.000 3.069 174 T HA 0.152 4.502 4.350 -0.001 0.000 0.252 174 T C 0.827 175.663 174.700 0.226 0.000 1.053 174 T CA -0.249 61.981 62.100 0.217 0.000 0.964 174 T CB 0.106 69.153 68.868 0.298 0.000 1.005 174 T HN 0.445 nan 8.240 nan 0.000 0.532 175 S N 0.971 116.785 115.700 0.190 0.000 2.558 175 S HA 0.368 4.837 4.470 -0.001 0.000 0.293 175 S C 1.728 176.357 174.600 0.048 0.000 1.292 175 S CA 0.095 58.357 58.200 0.102 0.000 1.063 175 S CB 0.244 63.466 63.200 0.037 0.000 0.831 175 S HN 0.586 nan 8.310 nan 0.000 0.499 176 A N 5.430 128.270 122.820 0.033 0.000 2.070 176 A HA -0.060 4.260 4.320 -0.001 0.000 0.220 176 A C 2.094 179.668 177.584 -0.017 0.000 1.159 176 A CA 1.437 53.486 52.037 0.019 0.000 0.656 176 A CB -0.411 18.593 19.000 0.006 0.000 0.800 176 A HN 0.950 nan 8.150 nan 0.000 0.453 177 K N -0.399 119.983 120.400 -0.031 0.000 2.152 177 K HA -0.058 4.261 4.320 -0.001 0.000 0.206 177 K C 1.425 178.017 176.600 -0.014 0.000 1.048 177 K CA 1.236 57.520 56.287 -0.004 0.000 0.933 177 K CB -0.357 32.132 32.500 -0.018 0.000 0.721 177 K HN 0.488 nan 8.250 nan 0.000 0.447 178 L N 0.780 121.885 121.223 -0.196 0.000 2.549 178 L HA -0.101 4.238 4.340 -0.001 0.000 0.229 178 L C 1.765 178.707 176.870 0.119 0.000 1.158 178 L CA 0.528 55.178 54.840 -0.317 0.000 0.842 178 L CB -0.101 41.623 42.059 -0.558 0.000 0.952 178 L HN 0.068 nan 8.230 nan 0.000 0.452 179 S N -1.499 114.273 115.700 0.120 0.000 2.489 179 S HA -0.071 4.398 4.470 -0.001 0.000 0.228 179 S C 0.720 175.446 174.600 0.209 0.000 0.995 179 S CA 0.148 58.432 58.200 0.139 0.000 0.934 179 S CB -0.241 62.878 63.200 -0.136 0.000 0.771 179 S HN 0.332 nan 8.310 nan 0.000 0.522 180 D N 2.216 122.750 120.400 0.223 0.000 2.348 180 D HA 0.074 4.714 4.640 -0.001 0.000 0.259 180 D C 0.715 177.153 176.300 0.231 0.000 1.296 180 D CA 0.072 54.197 54.000 0.208 0.000 0.931 180 D CB 0.417 41.309 40.800 0.154 0.000 1.067 180 D HN -0.127 nan 8.370 nan 0.000 0.503 181 K N 1.486 122.028 120.400 0.236 0.000 2.525 181 K HA -0.035 4.284 4.320 -0.001 0.000 0.192 181 K C 1.544 178.183 176.600 0.064 0.000 1.029 181 K CA 0.204 56.598 56.287 0.178 0.000 1.029 181 K CB 0.016 32.633 32.500 0.195 0.000 0.814 181 K HN 0.421 nan 8.250 nan 0.000 0.503 182 S N -0.530 115.184 115.700 0.023 0.000 2.528 182 S HA 0.083 4.553 4.470 -0.001 0.000 0.219 182 S C 1.748 176.277 174.600 -0.119 0.000 0.985 182 S CA 0.058 58.240 58.200 -0.029 0.000 0.914 182 S CB 0.255 63.444 63.200 -0.019 0.000 0.776 182 S HN 0.227 nan 8.310 nan 0.000 0.526 183 R N -0.893 119.461 120.500 -0.243 0.000 2.243 183 R HA 0.284 4.624 4.340 -0.001 0.000 0.193 183 R C -0.224 175.669 176.300 -0.677 0.000 0.933 183 R CA 0.336 56.101 56.100 -0.559 0.000 1.105 183 R CB 0.236 29.993 30.300 -0.904 0.000 1.169 183 R HN 0.467 nan 8.270 nan 0.000 0.599 184 Y N 1.944 122.268 120.300 0.040 0.000 2.696 184 Y HA 0.133 4.683 4.550 0.000 0.000 0.378 184 Y C 0.153 176.105 175.900 0.086 0.000 1.012 184 Y CA -0.973 57.164 58.100 0.061 0.000 1.396 184 Y CB 0.242 38.698 38.460 -0.007 0.000 1.415 184 Y HN 0.096 nan 8.280 nan 0.000 0.569 185 D N -1.120 119.324 120.400 0.073 0.000 2.378 185 D HA -0.170 4.470 4.640 -0.001 0.000 0.227 185 D C 0.330 176.241 176.300 -0.649 0.000 1.012 185 D CA 0.765 54.696 54.000 -0.115 0.000 0.905 185 D CB -0.171 40.578 40.800 -0.085 0.000 0.895 185 D HN 0.450 nan 8.370 nan 0.000 0.532 186 Y N -0.968 119.068 120.300 -0.440 0.000 2.675 186 Y HA 0.282 4.832 4.550 -0.001 0.000 0.248 186 Y C -0.484 175.214 175.900 -0.336 0.000 1.161 186 Y CA -0.992 56.660 58.100 -0.748 0.000 1.203 186 Y CB 0.362 38.658 38.460 -0.273 0.000 1.262 186 Y HN -0.144 nan 8.280 nan 0.000 0.544 187 F N 1.158 121.036 119.950 -0.120 0.000 2.443 187 F HA 0.810 5.336 4.527 -0.001 0.000 0.335 187 F C -0.209 175.741 175.800 0.249 0.000 1.104 187 F CA -0.857 57.218 58.000 0.124 0.000 1.013 187 F CB 0.782 39.862 39.000 0.133 0.000 1.136 187 F HN -0.106 nan 8.300 nan 0.000 0.470 188 A N 5.944 128.350 122.820 -0.690 0.000 2.583 188 A HA 0.939 5.259 4.320 -0.001 0.000 0.289 188 A C -1.412 175.700 177.584 -0.787 0.000 1.151 188 A CA -0.944 50.778 52.037 -0.524 0.000 0.695 188 A CB 2.036 20.710 19.000 -0.543 0.000 1.290 188 A HN 0.907 nan 8.150 nan 0.000 0.419 189 R N -1.132 119.239 120.500 -0.215 0.000 2.692 189 R HA 0.518 4.858 4.340 -0.001 0.000 0.269 189 R C -0.679 175.786 176.300 0.274 0.000 1.030 189 R CA 0.073 56.157 56.100 -0.027 0.000 0.882 189 R CB 0.802 31.099 30.300 -0.006 0.000 1.250 189 R HN 0.825 nan 8.270 nan 0.000 0.465 190 T N -1.756 112.937 114.554 0.231 0.000 3.206 190 T HA 0.245 4.595 4.350 -0.001 0.000 0.253 190 T C 0.763 175.506 174.700 0.070 0.000 1.042 190 T CA 0.211 62.450 62.100 0.231 0.000 0.931 190 T CB -0.600 68.479 68.868 0.352 0.000 1.029 190 T HN 0.477 nan 8.240 nan 0.000 0.564 191 V N -2.323 117.562 119.914 -0.049 0.000 3.040 191 V HA 0.848 4.968 4.120 -0.001 0.000 0.312 191 V C -3.106 172.968 176.094 -0.034 0.000 1.115 191 V CA -3.023 59.136 62.300 -0.234 0.000 0.998 191 V CB 2.504 34.089 31.823 -0.397 0.000 1.042 191 V HN -0.084 nan 8.190 nan 0.000 0.433 192 P HA 0.468 nan 4.420 nan 0.000 0.278 192 P C -2.915 174.529 177.300 0.240 0.000 1.258 192 P CA -2.050 61.113 63.100 0.105 0.000 0.811 192 P CB 0.930 32.644 31.700 0.024 0.000 1.063 193 P HA 0.141 nan 4.420 nan 0.000 0.277 193 P C 0.037 177.598 177.300 0.434 0.000 1.240 193 P CA -0.085 63.221 63.100 0.343 0.000 0.798 193 P CB 0.695 32.565 31.700 0.282 0.000 0.979 194 D N 0.737 121.322 120.400 0.309 0.000 2.392 194 D HA -0.094 4.545 4.640 -0.001 0.000 0.228 194 D C 1.308 177.695 176.300 0.144 0.000 1.003 194 D CA 0.568 54.730 54.000 0.269 0.000 0.917 194 D CB -0.641 40.288 40.800 0.216 0.000 0.890 194 D HN 0.365 nan 8.370 nan 0.000 0.532 195 F N 0.520 120.458 119.950 -0.019 0.000 2.161 195 F HA -0.289 4.238 4.527 -0.000 0.000 0.300 195 F C 1.549 177.169 175.800 -0.300 0.000 1.089 195 F CA 1.499 59.365 58.000 -0.223 0.000 1.282 195 F CB -0.313 38.473 39.000 -0.357 0.000 1.010 195 F HN -0.039 nan 8.300 nan 0.000 0.485 196 Y N -0.046 120.264 120.300 0.016 0.000 2.269 196 Y HA -0.069 4.481 4.550 -0.001 0.000 0.294 196 Y C 2.744 178.327 175.900 -0.528 0.000 1.120 196 Y CA 1.371 59.366 58.100 -0.174 0.000 1.159 196 Y CB -1.090 37.565 38.460 0.326 0.000 1.024 196 Y HN 0.136 nan 8.280 nan 0.000 0.532 197 Q N 0.517 120.160 119.800 -0.261 0.000 2.170 197 Q HA -0.193 4.146 4.340 -0.001 0.000 0.203 197 Q C 2.329 178.096 176.000 -0.389 0.000 0.976 197 Q CA 1.387 56.757 55.803 -0.722 0.000 0.858 197 Q CB -0.200 28.335 28.738 -0.339 0.000 0.907 197 Q HN 0.498 nan 8.270 nan 0.000 0.433 198 A N 0.960 123.678 122.820 -0.169 0.000 1.902 198 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 198 A C 1.919 179.401 177.584 -0.171 0.000 1.181 198 A CA 1.549 53.560 52.037 -0.044 0.000 0.623 198 A CB -0.316 18.623 19.000 -0.102 0.000 0.818 198 A HN 0.298 nan 8.150 nan 0.000 0.443 199 K N -0.306 119.844 120.400 -0.418 0.000 2.026 199 K HA -0.069 4.251 4.320 -0.001 0.000 0.208 199 K C 2.367 178.657 176.600 -0.516 0.000 1.048 199 K CA 1.106 57.135 56.287 -0.431 0.000 0.929 199 K CB -0.360 31.845 32.500 -0.492 0.000 0.713 199 K HN 0.433 nan 8.250 nan 0.000 0.439 200 A N 1.561 123.781 122.820 -1.000 0.000 1.883 200 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 200 A C 2.189 179.573 177.584 -0.333 0.000 1.186 200 A CA 1.822 53.238 52.037 -1.035 0.000 0.624 200 A CB -0.553 17.759 19.000 -1.145 0.000 0.822 200 A HN 0.200 nan 8.150 nan 0.000 0.444 201 M N -0.583 118.891 119.600 -0.211 0.000 2.117 201 M HA -0.133 4.347 4.480 -0.001 0.000 0.262 201 M C 2.521 178.955 176.300 0.222 0.000 1.065 201 M CA 1.478 56.788 55.300 0.016 0.000 1.114 201 M CB -0.441 32.159 32.600 -0.001 0.000 1.361 201 M HN 0.471 nan 8.290 nan 0.000 0.408 202 A N 0.275 123.244 122.820 0.249 0.000 1.902 202 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 202 A C 1.953 179.640 177.584 0.172 0.000 1.181 202 A CA 1.618 53.806 52.037 0.252 0.000 0.623 202 A CB -0.649 18.357 19.000 0.011 0.000 0.818 202 A HN 0.528 nan 8.150 nan 0.000 0.443 203 E N -0.432 119.834 120.200 0.110 0.000 2.204 203 E HA -0.107 4.243 4.350 -0.001 0.000 0.194 203 E C 1.812 178.524 176.600 0.187 0.000 0.989 203 E CA 0.882 57.370 56.400 0.147 0.000 0.824 203 E CB -0.233 29.584 29.700 0.195 0.000 0.756 203 E HN 0.714 nan 8.360 nan 0.000 0.477 204 I N 1.009 121.703 120.570 0.206 0.000 2.202 204 I HA -0.279 3.891 4.170 -0.001 0.000 0.242 204 I C 2.351 178.694 176.117 0.378 0.000 1.091 204 I CA 0.947 62.420 61.300 0.289 0.000 1.368 204 I CB -0.225 37.966 38.000 0.319 0.000 1.058 204 I HN 0.120 nan 8.210 nan 0.000 0.410 205 L N 0.198 121.678 121.223 0.428 0.000 2.012 205 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 205 L C 2.753 179.770 176.870 0.245 0.000 1.073 205 L CA 1.350 56.495 54.840 0.509 0.000 0.748 205 L CB -0.754 41.646 42.059 0.569 0.000 0.891 205 L HN 0.222 nan 8.230 nan 0.000 0.431 206 R N 0.150 120.769 120.500 0.198 0.000 2.159 206 R HA -0.219 4.121 4.340 -0.001 0.000 0.237 206 R C 2.053 178.369 176.300 0.026 0.000 1.131 206 R CA 1.444 57.606 56.100 0.104 0.000 0.982 206 R CB -0.738 29.620 30.300 0.096 0.000 0.868 206 R HN 0.284 nan 8.270 nan 0.000 0.453 207 F N -0.552 119.312 119.950 -0.143 0.000 2.074 207 F HA -0.012 4.514 4.527 -0.001 0.000 0.293 207 F C 1.203 176.694 175.800 -0.515 0.000 1.116 207 F CA 1.395 59.193 58.000 -0.336 0.000 1.212 207 F CB -0.331 38.398 39.000 -0.451 0.000 0.998 207 F HN -0.002 nan 8.300 nan 0.000 0.471 208 F N 1.233 120.909 119.950 -0.458 0.000 2.769 208 F HA 0.105 4.631 4.527 -0.001 0.000 0.304 208 F C 0.586 175.950 175.800 -0.727 0.000 1.158 208 F CA 0.240 57.740 58.000 -0.833 0.000 1.398 208 F CB -0.979 37.103 39.000 -1.531 0.000 1.094 208 F HN 0.030 nan 8.300 nan 0.000 0.553 209 N N -1.270 117.248 118.700 -0.303 0.000 2.725 209 N HA -0.202 4.537 4.740 -0.001 0.000 0.249 209 N C -1.192 174.377 175.510 0.098 0.000 1.103 209 N CA 0.462 53.455 53.050 -0.095 0.000 0.707 209 N CB -1.556 36.874 38.487 -0.096 0.000 1.043 209 N HN 0.280 nan 8.380 nan 0.000 0.553 210 W N 0.570 121.967 121.300 0.161 0.000 2.497 210 W HA 0.282 4.941 4.660 -0.001 0.000 0.354 210 W C 1.115 177.734 176.519 0.166 0.000 1.111 210 W CA -0.300 57.138 57.345 0.156 0.000 1.510 210 W CB -0.560 28.995 29.460 0.158 0.000 1.466 210 W HN -0.031 nan 8.180 nan 0.000 0.409 211 T N 1.349 116.126 114.554 0.371 0.000 3.060 211 T HA -0.060 4.289 4.350 -0.001 0.000 0.249 211 T C -0.468 174.441 174.700 0.347 0.000 1.079 211 T CA 0.654 62.934 62.100 0.299 0.000 1.013 211 T CB -0.008 69.012 68.868 0.252 0.000 0.975 211 T HN 0.096 nan 8.240 nan 0.000 0.518 212 Y N 3.285 123.690 120.300 0.174 0.000 2.526 212 Y HA 0.532 5.082 4.550 -0.001 0.000 0.328 212 Y C -0.591 175.365 175.900 0.093 0.000 0.995 212 Y CA -2.082 56.085 58.100 0.110 0.000 1.304 212 Y CB 0.560 39.060 38.460 0.068 0.000 1.096 212 Y HN -0.011 nan 8.280 nan 0.000 0.499 213 V N 0.733 120.605 119.914 -0.071 0.000 3.040 213 V HA 0.809 4.929 4.120 -0.001 0.000 0.312 213 V C -0.505 175.489 176.094 -0.168 0.000 1.115 213 V CA -0.749 61.487 62.300 -0.106 0.000 0.998 213 V CB 1.926 33.784 31.823 0.058 0.000 1.042 213 V HN 0.491 nan 8.190 nan 0.000 0.433 214 S N 1.336 116.938 115.700 -0.164 0.000 2.638 214 S HA 0.879 5.349 4.470 -0.001 0.000 0.298 214 S C -0.064 174.492 174.600 -0.073 0.000 1.111 214 S CA -0.130 57.988 58.200 -0.136 0.000 1.027 214 S CB 1.685 64.784 63.200 -0.167 0.000 1.064 214 S HN 1.343 nan 8.310 nan 0.000 0.525 215 T N -1.329 113.204 114.554 -0.035 0.000 2.900 215 T HA 0.735 5.084 4.350 -0.001 0.000 0.295 215 T C -1.073 173.619 174.700 -0.014 0.000 1.044 215 T CA -0.801 61.288 62.100 -0.018 0.000 0.995 215 T CB 1.462 70.357 68.868 0.044 0.000 1.072 215 T HN 0.483 nan 8.240 nan 0.000 0.473 216 V N 1.260 121.175 119.914 0.000 0.000 2.577 216 V HA 0.880 4.999 4.120 -0.001 0.000 0.303 216 V C -0.814 175.298 176.094 0.029 0.000 1.042 216 V CA -0.377 61.924 62.300 0.002 0.000 0.872 216 V CB 1.079 32.903 31.823 0.002 0.000 0.998 216 V HN 1.550 nan 8.190 nan 0.000 0.423 217 A N 4.346 127.179 122.820 0.021 0.000 2.413 217 A HA 0.881 5.200 4.320 -0.001 0.000 0.307 217 A C -0.181 177.432 177.584 0.048 0.000 1.087 217 A CA -0.582 51.488 52.037 0.055 0.000 0.750 217 A CB 2.038 21.055 19.000 0.029 0.000 1.296 217 A HN 0.911 nan 8.150 nan 0.000 0.423 218 S N 0.807 116.571 115.700 0.107 0.000 2.565 218 S HA 0.229 4.698 4.470 -0.001 0.000 0.274 218 S C 0.075 174.724 174.600 0.083 0.000 1.309 218 S CA -0.286 57.982 58.200 0.114 0.000 1.043 218 S CB 0.472 63.802 63.200 0.216 0.000 0.939 218 S HN 0.658 nan 8.310 nan 0.000 0.504 219 E N 1.035 121.266 120.200 0.051 0.000 2.392 219 E HA 0.471 4.820 4.350 -0.001 0.000 0.264 219 E C 0.556 177.194 176.600 0.063 0.000 1.024 219 E CA 0.098 56.518 56.400 0.035 0.000 0.903 219 E CB 0.673 30.381 29.700 0.014 0.000 0.963 219 E HN 0.821 nan 8.360 nan 0.000 0.432 220 G N 2.267 111.098 108.800 0.052 0.000 2.353 220 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.424 220 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.424 220 G C -0.287 174.653 174.900 0.066 0.000 1.320 220 G CA -0.651 44.491 45.100 0.070 0.000 0.995 220 G HN 0.564 nan 8.290 nan 0.000 0.580 221 D N -0.899 119.545 120.400 0.073 0.000 2.348 221 D HA -0.020 4.620 4.640 -0.001 0.000 0.216 221 D C 1.379 177.735 176.300 0.092 0.000 0.970 221 D CA 1.304 55.333 54.000 0.049 0.000 0.889 221 D CB 0.471 41.282 40.800 0.018 0.000 0.912 221 D HN 0.343 nan 8.370 nan 0.000 0.524 222 Y N 1.517 121.844 120.300 0.046 0.000 2.239 222 Y HA 0.151 4.701 4.550 -0.001 0.000 0.293 222 Y C 2.449 178.421 175.900 0.120 0.000 1.126 222 Y CA 1.532 59.691 58.100 0.098 0.000 1.128 222 Y CB -0.479 38.071 38.460 0.149 0.000 1.066 222 Y HN -0.130 nan 8.280 nan 0.000 0.516 223 G N 0.104 108.949 108.800 0.074 0.000 2.404 223 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.215 223 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.215 223 G C 1.394 176.206 174.900 -0.147 0.000 1.174 223 G CA 0.975 46.067 45.100 -0.015 0.000 0.780 223 G HN 0.510 nan 8.290 nan 0.000 0.537 224 E N 0.178 120.327 120.200 -0.084 0.000 2.031 224 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 224 E C 2.907 179.403 176.600 -0.173 0.000 0.994 224 E CA 1.676 58.015 56.400 -0.101 0.000 0.800 224 E CB -0.452 29.220 29.700 -0.047 0.000 0.752 224 E HN 0.563 nan 8.360 nan 0.000 0.447 225 T N -1.159 113.289 114.554 -0.176 0.000 2.867 225 T HA -0.077 4.272 4.350 -0.001 0.000 0.268 225 T C 2.080 176.564 174.700 -0.360 0.000 1.057 225 T CA 1.148 63.131 62.100 -0.194 0.000 1.136 225 T CB -0.622 68.169 68.868 -0.128 0.000 0.874 225 T HN 0.211 nan 8.240 nan 0.000 0.466 226 G N 1.427 109.853 108.800 -0.625 0.000 2.404 226 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.215 226 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.215 226 G C 1.516 175.670 174.900 -1.244 0.000 1.174 226 G CA 0.565 44.843 45.100 -1.369 0.000 0.780 226 G HN 0.424 nan 8.290 nan 0.000 0.537 227 I N 1.088 121.213 120.570 -0.742 0.000 2.315 227 I HA -0.035 4.135 4.170 -0.001 0.000 0.248 227 I C 2.551 178.600 176.117 -0.114 0.000 1.117 227 I CA 0.984 62.118 61.300 -0.275 0.000 1.404 227 I CB -0.739 37.203 38.000 -0.098 0.000 1.071 227 I HN 0.331 nan 8.210 nan 0.000 0.419 228 E N 0.565 120.667 120.200 -0.164 0.000 2.058 228 E HA -0.227 4.123 4.350 -0.001 0.000 0.194 228 E C 2.263 178.797 176.600 -0.110 0.000 0.997 228 E CA 1.495 57.832 56.400 -0.105 0.000 0.801 228 E CB -0.104 29.534 29.700 -0.102 0.000 0.746 228 E HN 0.497 nan 8.360 nan 0.000 0.450 229 A N 1.046 123.770 122.820 -0.160 0.000 1.908 229 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 229 A C 1.991 179.502 177.584 -0.122 0.000 1.181 229 A CA 1.333 53.285 52.037 -0.142 0.000 0.627 229 A CB -0.779 18.115 19.000 -0.177 0.000 0.818 229 A HN 0.368 nan 8.150 nan 0.000 0.445 230 F N 1.067 120.886 119.950 -0.218 0.000 2.069 230 F HA -0.187 4.340 4.527 -0.001 0.000 0.298 230 F C 2.100 177.849 175.800 -0.086 0.000 1.113 230 F CA 2.275 60.196 58.000 -0.131 0.000 1.214 230 F CB -0.649 38.307 39.000 -0.074 0.000 0.978 230 F HN 0.387 nan 8.300 nan 0.000 0.474 231 E N -0.023 120.026 120.200 -0.252 0.000 2.065 231 E HA -0.335 4.015 4.350 -0.001 0.000 0.201 231 E C 2.208 178.633 176.600 -0.291 0.000 1.016 231 E CA 2.090 58.311 56.400 -0.298 0.000 0.818 231 E CB -0.388 29.261 29.700 -0.085 0.000 0.749 231 E HN 0.626 nan 8.360 nan 0.000 0.453 232 Q N 0.256 119.937 119.800 -0.198 0.000 2.061 232 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 232 Q C 2.103 177.989 176.000 -0.189 0.000 0.984 232 Q CA 1.139 56.851 55.803 -0.153 0.000 0.846 232 Q CB -0.030 28.645 28.738 -0.104 0.000 0.902 232 Q HN 0.210 nan 8.270 nan 0.000 0.421 233 E N 0.299 120.350 120.200 -0.249 0.000 2.268 233 E HA -0.129 4.220 4.350 -0.001 0.000 0.195 233 E C 1.777 178.209 176.600 -0.280 0.000 0.995 233 E CA 0.962 57.218 56.400 -0.239 0.000 0.836 233 E CB -0.124 29.432 29.700 -0.239 0.000 0.763 233 E HN 0.371 nan 8.360 nan 0.000 0.491 234 A N 1.520 124.070 122.820 -0.451 0.000 1.840 234 A HA -0.138 4.182 4.320 -0.001 0.000 0.214 234 A C 2.203 179.672 177.584 -0.191 0.000 1.198 234 A CA 1.122 52.911 52.037 -0.414 0.000 0.608 234 A CB -0.417 18.200 19.000 -0.639 0.000 0.839 234 A HN 0.093 nan 8.150 nan 0.000 0.443 235 R N -0.401 120.002 120.500 -0.163 0.000 2.112 235 R HA -0.158 4.181 4.340 -0.001 0.000 0.242 235 R C 2.001 178.265 176.300 -0.061 0.000 1.137 235 R CA 1.776 57.826 56.100 -0.085 0.000 0.944 235 R CB -0.753 29.503 30.300 -0.073 0.000 0.857 235 R HN 0.515 nan 8.270 nan 0.000 0.435 236 L N 0.125 121.305 121.223 -0.072 0.000 2.261 236 L HA -0.172 4.168 4.340 -0.001 0.000 0.216 236 L C 1.623 178.475 176.870 -0.030 0.000 1.114 236 L CA 1.298 56.110 54.840 -0.046 0.000 0.777 236 L CB -0.178 41.851 42.059 -0.049 0.000 0.910 236 L HN 0.160 nan 8.230 nan 0.000 0.440 237 R N -0.355 120.124 120.500 -0.036 0.000 2.546 237 R HA 0.163 4.502 4.340 -0.001 0.000 0.320 237 R C -0.276 176.029 176.300 0.008 0.000 1.021 237 R CA -0.233 55.862 56.100 -0.008 0.000 1.088 237 R CB 0.276 30.576 30.300 -0.001 0.000 1.278 237 R HN 0.195 nan 8.270 nan 0.000 0.557 238 N N 1.383 120.085 118.700 0.003 0.000 2.671 238 N HA -0.191 4.548 4.740 -0.001 0.000 0.261 238 N C -1.019 174.525 175.510 0.058 0.000 1.053 238 N CA 1.091 54.157 53.050 0.027 0.000 0.732 238 N CB -0.847 37.658 38.487 0.032 0.000 0.887 238 N HN 0.342 nan 8.380 nan 0.000 0.546 239 I N 0.405 121.002 120.570 0.045 0.000 2.499 239 I HA 0.300 4.469 4.170 -0.001 0.000 0.288 239 I C 0.279 176.442 176.117 0.078 0.000 1.048 239 I CA -0.654 60.700 61.300 0.089 0.000 1.062 239 I CB 1.973 40.017 38.000 0.073 0.000 1.238 239 I HN 0.084 nan 8.210 nan 0.000 0.426 240 c N 6.114 124.804 118.600 0.150 0.000 2.358 240 c HA 0.569 5.139 4.570 -0.001 0.000 0.354 240 c C 0.307 174.471 174.090 0.124 0.000 1.183 240 c CA -0.612 55.805 56.329 0.146 0.000 2.150 240 c CB 1.194 43.835 42.510 0.218 0.000 2.361 240 c HN 0.534 nan 8.230 nan 0.000 0.535 241 I N 2.466 123.079 120.570 0.072 0.000 2.328 241 I HA 0.241 4.410 4.170 -0.001 0.000 0.287 241 I C 1.206 177.286 176.117 -0.063 0.000 1.012 241 I CA -0.102 61.203 61.300 0.009 0.000 1.195 241 I CB 1.340 39.365 38.000 0.041 0.000 1.350 241 I HN 0.925 nan 8.210 nan 0.000 0.464 242 A N 4.680 127.318 122.820 -0.304 0.000 1.851 242 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 242 A C 1.179 178.687 177.584 -0.126 0.000 1.195 242 A CA 1.781 53.580 52.037 -0.396 0.000 0.622 242 A CB -0.064 18.465 19.000 -0.784 0.000 0.831 242 A HN 0.613 nan 8.150 nan 0.000 0.444 243 T N -2.170 112.315 114.554 -0.115 0.000 3.041 243 T HA 0.534 4.883 4.350 -0.001 0.000 0.321 243 T C -1.427 173.249 174.700 -0.040 0.000 1.184 243 T CA 0.101 62.169 62.100 -0.053 0.000 1.050 243 T CB 1.330 70.170 68.868 -0.046 0.000 1.159 243 T HN 0.909 nan 8.240 nan 0.000 0.469 244 A N 4.426 127.235 122.820 -0.018 0.000 2.341 244 A HA 0.690 5.009 4.320 -0.001 0.000 0.326 244 A C 0.103 177.676 177.584 -0.019 0.000 1.402 244 A CA -0.530 51.503 52.037 -0.008 0.000 0.957 244 A CB 0.260 19.264 19.000 0.005 0.000 1.151 244 A HN 0.701 nan 8.150 nan 0.000 0.533 245 E N 1.636 121.819 120.200 -0.028 0.000 2.250 245 E HA 0.547 4.896 4.350 -0.001 0.000 0.269 245 E C -0.395 176.178 176.600 -0.045 0.000 1.018 245 E CA -0.404 55.971 56.400 -0.042 0.000 0.873 245 E CB 1.934 31.602 29.700 -0.054 0.000 1.134 245 E HN 0.713 nan 8.360 nan 0.000 0.403 246 K N -1.425 118.935 120.400 -0.066 0.000 2.561 246 K HA 0.420 4.739 4.320 -0.001 0.000 0.254 246 K C -0.841 175.688 176.600 -0.118 0.000 0.942 246 K CA -0.830 55.415 56.287 -0.070 0.000 0.818 246 K CB 1.220 33.697 32.500 -0.039 0.000 1.306 246 K HN 0.256 nan 8.250 nan 0.000 0.435 247 V N -0.224 119.597 119.914 -0.156 0.000 2.612 247 V HA 0.907 5.027 4.120 -0.001 0.000 0.301 247 V C 0.239 176.273 176.094 -0.099 0.000 1.046 247 V CA 0.035 62.193 62.300 -0.237 0.000 0.946 247 V CB 1.198 32.709 31.823 -0.520 0.000 1.003 247 V HN 0.948 nan 8.190 nan 0.000 0.459 248 G N 3.039 111.795 108.800 -0.073 0.000 3.107 248 G HA2 0.551 4.511 3.960 -0.001 0.000 0.232 248 G HA3 0.551 4.511 3.960 -0.001 0.000 0.232 248 G C -0.473 174.436 174.900 0.016 0.000 1.339 248 G CA -1.425 43.666 45.100 -0.015 0.000 1.033 248 G HN 0.842 nan 8.290 nan 0.000 0.567 249 R N 0.195 120.703 120.500 0.013 0.000 2.679 249 R HA 0.278 4.618 4.340 -0.001 0.000 0.268 249 R C 0.827 177.139 176.300 0.020 0.000 1.044 249 R CA 0.984 57.092 56.100 0.013 0.000 1.105 249 R CB 0.475 30.777 30.300 0.003 0.000 0.989 249 R HN 1.019 nan 8.270 nan 0.000 0.447 250 S N 0.396 116.107 115.700 0.019 0.000 3.447 250 S HA -0.210 4.259 4.470 -0.001 0.000 0.371 250 S C -0.600 174.026 174.600 0.043 0.000 0.951 250 S CA 0.557 58.770 58.200 0.021 0.000 1.269 250 S CB -1.561 61.645 63.200 0.010 0.000 0.919 250 S HN 0.705 nan 8.310 nan 0.000 0.516 251 N N 0.591 119.343 118.700 0.088 0.000 2.443 251 N HA 0.812 5.552 4.740 -0.001 0.000 0.295 251 N C -0.072 175.535 175.510 0.162 0.000 1.076 251 N CA -0.628 52.504 53.050 0.136 0.000 0.919 251 N CB 0.920 39.520 38.487 0.188 0.000 1.176 251 N HN 0.432 nan 8.380 nan 0.000 0.487 252 I N 0.536 121.184 120.570 0.130 0.000 3.076 252 I HA 0.389 4.559 4.170 -0.001 0.000 0.313 252 I C 1.868 178.065 176.117 0.134 0.000 1.053 252 I CA -0.729 60.622 61.300 0.084 0.000 1.048 252 I CB 0.760 38.785 38.000 0.043 0.000 1.264 252 I HN 0.387 nan 8.210 nan 0.000 0.498 253 R N 1.178 121.709 120.500 0.050 0.000 2.196 253 R HA -0.296 4.043 4.340 -0.001 0.000 0.244 253 R C 1.828 178.206 176.300 0.131 0.000 1.121 253 R CA 2.348 58.481 56.100 0.055 0.000 0.930 253 R CB -0.644 29.663 30.300 0.011 0.000 0.890 253 R HN 0.526 nan 8.270 nan 0.000 0.435 254 K N 0.053 120.505 120.400 0.088 0.000 2.107 254 K HA -0.188 4.131 4.320 -0.001 0.000 0.211 254 K C 2.264 178.913 176.600 0.082 0.000 1.049 254 K CA 2.062 58.393 56.287 0.074 0.000 0.927 254 K CB -0.230 32.298 32.500 0.047 0.000 0.714 254 K HN 0.139 nan 8.250 nan 0.000 0.452 255 S N 0.090 115.850 115.700 0.099 0.000 2.382 255 S HA -0.133 4.336 4.470 -0.001 0.000 0.228 255 S C 1.766 176.342 174.600 -0.041 0.000 1.027 255 S CA 1.255 59.466 58.200 0.018 0.000 0.991 255 S CB -0.253 62.941 63.200 -0.010 0.000 0.823 255 S HN 0.285 nan 8.310 nan 0.000 0.469 256 Y N 1.815 122.110 120.300 -0.008 0.000 2.269 256 Y HA 0.012 4.562 4.550 -0.001 0.000 0.294 256 Y C 2.352 178.256 175.900 0.007 0.000 1.120 256 Y CA 0.465 58.559 58.100 -0.010 0.000 1.159 256 Y CB -0.457 37.986 38.460 -0.028 0.000 1.024 256 Y HN 0.175 nan 8.280 nan 0.000 0.532 257 D N -0.685 119.817 120.400 0.170 0.000 2.149 257 D HA -0.206 4.433 4.640 -0.001 0.000 0.198 257 D C 2.253 178.602 176.300 0.081 0.000 0.990 257 D CA 1.709 55.776 54.000 0.112 0.000 0.839 257 D CB -0.353 40.498 40.800 0.084 0.000 0.948 257 D HN 0.238 nan 8.370 nan 0.000 0.460 258 S N -0.072 115.661 115.700 0.055 0.000 2.399 258 S HA -0.105 4.365 4.470 -0.001 0.000 0.231 258 S C 2.094 176.703 174.600 0.015 0.000 1.022 258 S CA 0.632 58.848 58.200 0.027 0.000 0.983 258 S CB -0.018 63.185 63.200 0.006 0.000 0.803 258 S HN 0.031 nan 8.310 nan 0.000 0.480 259 V N 2.122 122.036 119.914 -0.001 0.000 2.488 259 V HA -0.065 4.055 4.120 -0.001 0.000 0.246 259 V C 2.336 178.446 176.094 0.027 0.000 1.046 259 V CA 1.071 63.359 62.300 -0.020 0.000 1.053 259 V CB -0.485 31.291 31.823 -0.078 0.000 0.679 259 V HN 0.470 nan 8.190 nan 0.000 0.458 260 I N 0.171 120.789 120.570 0.080 0.000 2.179 260 I HA -0.195 3.975 4.170 -0.001 0.000 0.242 260 I C 2.656 178.862 176.117 0.149 0.000 1.088 260 I CA 1.624 63.009 61.300 0.142 0.000 1.357 260 I CB -1.221 36.894 38.000 0.192 0.000 1.051 260 I HN 0.318 nan 8.210 nan 0.000 0.409 261 R N 0.743 121.307 120.500 0.106 0.000 2.094 261 R HA -0.199 4.140 4.340 -0.001 0.000 0.239 261 R C 2.096 178.445 176.300 0.081 0.000 1.137 261 R CA 1.630 57.784 56.100 0.090 0.000 0.943 261 R CB -0.347 29.989 30.300 0.060 0.000 0.850 261 R HN 0.514 nan 8.270 nan 0.000 0.433 262 E N 0.572 120.804 120.200 0.053 0.000 2.204 262 E HA -0.175 4.175 4.350 -0.001 0.000 0.195 262 E C 2.087 178.712 176.600 0.042 0.000 0.990 262 E CA 0.854 57.275 56.400 0.035 0.000 0.821 262 E CB -0.082 29.623 29.700 0.009 0.000 0.750 262 E HN 0.379 nan 8.360 nan 0.000 0.477 263 L N 0.439 121.694 121.223 0.054 0.000 2.179 263 L HA -0.106 4.234 4.340 -0.001 0.000 0.208 263 L C 2.358 179.373 176.870 0.241 0.000 1.096 263 L CA 0.571 55.443 54.840 0.052 0.000 0.779 263 L CB -0.193 41.759 42.059 -0.178 0.000 0.922 263 L HN 0.144 nan 8.230 nan 0.000 0.443 264 L N -0.666 120.717 121.223 0.267 0.000 2.275 264 L HA -0.164 4.175 4.340 -0.001 0.000 0.215 264 L C 2.034 178.964 176.870 0.099 0.000 1.119 264 L CA 0.804 55.764 54.840 0.199 0.000 0.790 264 L CB -0.304 41.845 42.059 0.149 0.000 0.919 264 L HN 0.343 nan 8.230 nan 0.000 0.443 265 Q N 0.147 119.997 119.800 0.084 0.000 2.415 265 Q HA 0.003 4.343 4.340 -0.001 0.000 0.206 265 Q C -0.052 175.983 176.000 0.058 0.000 0.946 265 Q CA 0.449 56.285 55.803 0.055 0.000 0.951 265 Q CB 0.350 29.114 28.738 0.043 0.000 1.026 265 Q HN 0.170 nan 8.270 nan 0.000 0.510 266 K N 0.430 120.873 120.400 0.072 0.000 3.146 266 K HA 0.169 4.488 4.320 -0.001 0.000 0.168 266 K C -2.171 174.484 176.600 0.091 0.000 1.075 266 K CA -1.359 54.975 56.287 0.078 0.000 0.843 266 K CB 1.162 33.665 32.500 0.005 0.000 1.002 266 K HN -0.045 nan 8.250 nan 0.000 0.597 267 P HA -0.215 nan 4.420 nan 0.000 0.217 267 P C 0.733 178.057 177.300 0.040 0.000 1.151 267 P CA 1.274 64.388 63.100 0.023 0.000 0.849 267 P CB 0.371 32.070 31.700 -0.002 0.000 0.787 268 N N 0.418 119.189 118.700 0.117 0.000 2.244 268 N HA -0.054 4.686 4.740 -0.001 0.000 0.183 268 N C 0.972 176.618 175.510 0.226 0.000 1.016 268 N CA 0.815 53.962 53.050 0.162 0.000 0.866 268 N CB -0.568 38.017 38.487 0.163 0.000 0.980 268 N HN 0.143 nan 8.380 nan 0.000 0.430 269 A N 1.056 123.973 122.820 0.163 0.000 2.671 269 A HA 0.225 4.544 4.320 -0.001 0.000 0.306 269 A C 1.206 178.786 177.584 -0.007 0.000 1.473 269 A CA -0.160 51.850 52.037 -0.044 0.000 1.155 269 A CB 0.058 18.848 19.000 -0.350 0.000 1.123 269 A HN 0.012 nan 8.150 nan 0.000 0.545 270 R N 1.724 122.194 120.500 -0.049 0.000 2.280 270 R HA 0.189 4.528 4.340 -0.001 0.000 0.195 270 R C -0.242 175.943 176.300 -0.192 0.000 0.935 270 R CA 0.589 56.633 56.100 -0.093 0.000 1.033 270 R CB 0.149 30.363 30.300 -0.143 0.000 0.964 270 R HN 0.413 nan 8.270 nan 0.000 0.489 271 V N 1.372 121.107 119.914 -0.298 0.000 2.370 271 V HA 0.355 4.475 4.120 -0.001 0.000 0.283 271 V C -0.773 175.145 176.094 -0.294 0.000 1.023 271 V CA -0.804 61.224 62.300 -0.453 0.000 0.857 271 V CB 1.816 33.173 31.823 -0.777 0.000 0.985 271 V HN -0.186 nan 8.190 nan 0.000 0.443 272 V N 6.198 125.930 119.914 -0.303 0.000 2.378 272 V HA 0.373 4.492 4.120 -0.001 0.000 0.288 272 V C -0.005 176.050 176.094 -0.065 0.000 1.016 272 V CA -0.705 61.471 62.300 -0.205 0.000 0.840 272 V CB 1.783 33.408 31.823 -0.331 0.000 0.994 272 V HN 0.576 nan 8.190 nan 0.000 0.431 273 V N 6.933 126.778 119.914 -0.115 0.000 2.488 273 V HA 0.341 4.460 4.120 -0.001 0.000 0.277 273 V C 0.064 176.092 176.094 -0.111 0.000 1.046 273 V CA -0.094 62.082 62.300 -0.207 0.000 0.986 273 V CB 1.055 32.528 31.823 -0.583 0.000 0.989 273 V HN 0.603 nan 8.190 nan 0.000 0.475 274 L N 5.435 126.623 121.223 -0.057 0.000 2.341 274 L HA 0.568 4.908 4.340 -0.001 0.000 0.278 274 L C -0.859 175.988 176.870 -0.038 0.000 1.005 274 L CA -0.308 54.544 54.840 0.020 0.000 0.818 274 L CB 1.798 43.930 42.059 0.120 0.000 1.259 274 L HN 0.532 nan 8.230 nan 0.000 0.418 275 F N 4.271 124.188 119.950 -0.056 0.000 2.660 275 F HA 0.512 5.039 4.527 -0.000 0.000 0.352 275 F C -0.271 175.546 175.800 0.028 0.000 1.257 275 F CA -0.256 57.692 58.000 -0.087 0.000 1.200 275 F CB 0.750 39.620 39.000 -0.218 0.000 1.473 275 F HN 0.370 nan 8.300 nan 0.000 0.561 276 M N 1.648 121.406 119.600 0.264 0.000 2.644 276 M HA 0.522 5.002 4.480 -0.001 0.000 0.304 276 M C -0.160 176.360 176.300 0.366 0.000 1.215 276 M CA -1.050 54.439 55.300 0.315 0.000 0.871 276 M CB 2.566 35.270 32.600 0.174 0.000 1.740 276 M HN 0.184 nan 8.290 nan 0.000 0.464 277 R N 0.120 120.800 120.500 0.300 0.000 2.784 277 R HA 0.061 4.400 4.340 -0.001 0.000 0.266 277 R C 1.243 177.599 176.300 0.094 0.000 1.044 277 R CA 0.098 56.313 56.100 0.191 0.000 1.151 277 R CB 0.372 30.856 30.300 0.307 0.000 1.037 277 R HN 0.808 nan 8.270 nan 0.000 0.478 278 S N 1.014 116.726 115.700 0.021 0.000 2.359 278 S HA -0.196 4.273 4.470 -0.001 0.000 0.224 278 S C 1.367 175.941 174.600 -0.043 0.000 1.035 278 S CA 2.076 60.251 58.200 -0.043 0.000 1.018 278 S CB -0.271 62.884 63.200 -0.076 0.000 0.876 278 S HN 0.768 nan 8.310 nan 0.000 0.448 279 D N 0.877 121.302 120.400 0.041 0.000 2.117 279 D HA -0.122 4.518 4.640 -0.001 0.000 0.197 279 D C 1.376 177.635 176.300 -0.068 0.000 0.987 279 D CA 1.502 55.486 54.000 -0.027 0.000 0.829 279 D CB -1.101 39.696 40.800 -0.005 0.000 0.961 279 D HN 0.353 nan 8.370 nan 0.000 0.460 280 D N 0.289 120.702 120.400 0.022 0.000 2.144 280 D HA -0.087 4.553 4.640 -0.001 0.000 0.199 280 D C 2.102 178.408 176.300 0.009 0.000 0.984 280 D CA 1.215 55.272 54.000 0.096 0.000 0.834 280 D CB -0.384 40.536 40.800 0.201 0.000 0.955 280 D HN 0.154 nan 8.370 nan 0.000 0.465 281 S N 0.285 115.938 115.700 -0.078 0.000 2.359 281 S HA -0.203 4.266 4.470 -0.001 0.000 0.224 281 S C 1.910 176.249 174.600 -0.435 0.000 1.035 281 S CA 1.205 59.256 58.200 -0.248 0.000 1.018 281 S CB -0.071 62.947 63.200 -0.304 0.000 0.876 281 S HN 0.110 nan 8.310 nan 0.000 0.448 282 R N 1.725 121.988 120.500 -0.394 0.000 2.091 282 R HA -0.060 4.279 4.340 -0.001 0.000 0.238 282 R C 2.024 178.093 176.300 -0.385 0.000 1.136 282 R CA 1.505 57.361 56.100 -0.407 0.000 0.959 282 R CB -0.494 29.626 30.300 -0.300 0.000 0.856 282 R HN 0.272 nan 8.270 nan 0.000 0.437 283 E N 0.240 120.194 120.200 -0.410 0.000 2.106 283 E HA -0.172 4.177 4.350 -0.001 0.000 0.192 283 E C 1.907 178.211 176.600 -0.492 0.000 0.984 283 E CA 0.880 56.910 56.400 -0.616 0.000 0.806 283 E CB -0.272 28.715 29.700 -1.189 0.000 0.750 283 E HN 0.344 nan 8.360 nan 0.000 0.458 284 L N 0.816 121.897 121.223 -0.236 0.000 2.056 284 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 284 L C 2.179 178.926 176.870 -0.205 0.000 1.078 284 L CA 0.991 55.818 54.840 -0.023 0.000 0.749 284 L CB -0.275 41.764 42.059 -0.033 0.000 0.901 284 L HN 0.098 nan 8.230 nan 0.000 0.433 285 I N 0.379 120.711 120.570 -0.396 0.000 2.286 285 I HA -0.207 3.963 4.170 -0.001 0.000 0.248 285 I C 2.872 178.865 176.117 -0.207 0.000 1.115 285 I CA 1.377 62.444 61.300 -0.388 0.000 1.392 285 I CB -1.643 36.019 38.000 -0.564 0.000 1.065 285 I HN 0.190 nan 8.210 nan 0.000 0.418 286 A N 0.795 123.481 122.820 -0.224 0.000 1.933 286 A HA -0.078 4.241 4.320 -0.001 0.000 0.218 286 A C 2.552 180.088 177.584 -0.080 0.000 1.175 286 A CA 1.792 53.733 52.037 -0.160 0.000 0.628 286 A CB -0.654 18.230 19.000 -0.193 0.000 0.814 286 A HN 0.401 nan 8.150 nan 0.000 0.444 287 A N -0.263 122.522 122.820 -0.059 0.000 1.930 287 A HA 0.237 4.556 4.320 -0.001 0.000 0.217 287 A C 2.443 180.082 177.584 0.092 0.000 1.175 287 A CA 1.802 53.857 52.037 0.031 0.000 0.627 287 A CB -0.825 18.233 19.000 0.098 0.000 0.815 287 A HN 0.972 nan 8.150 nan 0.000 0.443 288 A N 0.273 123.167 122.820 0.123 0.000 1.930 288 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 288 A C 1.936 179.625 177.584 0.175 0.000 1.175 288 A CA 1.912 54.094 52.037 0.242 0.000 0.627 288 A CB -0.682 18.574 19.000 0.427 0.000 0.815 288 A HN 0.594 nan 8.150 nan 0.000 0.443 289 N N -0.225 118.526 118.700 0.085 0.000 2.166 289 N HA -0.166 4.574 4.740 -0.001 0.000 0.186 289 N C 1.814 177.380 175.510 0.093 0.000 1.019 289 N CA 1.693 54.777 53.050 0.056 0.000 0.856 289 N CB -0.255 38.207 38.487 -0.041 0.000 0.993 289 N HN 0.528 nan 8.380 nan 0.000 0.426 290 R N -0.356 120.184 120.500 0.066 0.000 2.088 290 R HA -0.086 4.254 4.340 -0.001 0.000 0.232 290 R C 1.760 178.105 176.300 0.075 0.000 1.136 290 R CA 1.907 58.044 56.100 0.060 0.000 0.926 290 R CB -0.824 29.502 30.300 0.044 0.000 0.837 290 R HN 0.297 nan 8.270 nan 0.000 0.429 291 V N -0.535 119.432 119.914 0.088 0.000 3.602 291 V HA 0.067 4.186 4.120 -0.001 0.000 0.289 291 V C 0.382 176.532 176.094 0.094 0.000 1.265 291 V CA 0.492 62.842 62.300 0.084 0.000 1.202 291 V CB -1.471 30.407 31.823 0.091 0.000 1.012 291 V HN 0.547 nan 8.190 nan 0.000 0.431 292 N N 0.166 118.936 118.700 0.116 0.000 2.701 292 N HA -0.228 4.511 4.740 -0.001 0.000 0.250 292 N C 0.504 176.086 175.510 0.121 0.000 1.046 292 N CA 0.202 53.336 53.050 0.140 0.000 0.733 292 N CB -0.759 37.790 38.487 0.104 0.000 0.973 292 N HN 0.993 nan 8.380 nan 0.000 0.541 293 A N 0.126 123.038 122.820 0.154 0.000 2.366 293 A HA 0.551 4.870 4.320 -0.001 0.000 0.249 293 A C 0.135 177.796 177.584 0.128 0.000 1.084 293 A CA 0.296 52.411 52.037 0.130 0.000 0.794 293 A CB 0.833 20.035 19.000 0.337 0.000 1.034 293 A HN 0.307 nan 8.150 nan 0.000 0.491 294 S N 0.162 115.768 115.700 -0.157 0.000 2.720 294 S HA 0.675 5.144 4.470 -0.001 0.000 0.278 294 S C -1.365 172.940 174.600 -0.492 0.000 1.172 294 S CA -0.259 57.871 58.200 -0.117 0.000 1.019 294 S CB 0.425 63.597 63.200 -0.048 0.000 1.049 294 S HN 0.490 nan 8.310 nan 0.000 0.483 295 F N 0.255 119.956 119.950 -0.415 0.000 2.650 295 F HA 0.561 5.088 4.527 -0.001 0.000 0.320 295 F C 0.531 175.890 175.800 -0.735 0.000 1.091 295 F CA -0.987 56.624 58.000 -0.648 0.000 0.962 295 F CB 1.129 39.524 39.000 -1.009 0.000 1.363 295 F HN 0.197 nan 8.300 nan 0.000 0.482 296 T N 1.286 115.608 114.554 -0.387 0.000 2.738 296 T HA 0.246 4.595 4.350 -0.001 0.000 0.298 296 T C -1.008 173.465 174.700 -0.379 0.000 0.962 296 T CA -0.304 61.612 62.100 -0.307 0.000 0.972 296 T CB -0.198 68.504 68.868 -0.276 0.000 0.928 296 T HN 0.286 nan 8.240 nan 0.000 0.474 297 W N 2.308 123.579 121.300 -0.049 0.000 2.316 297 W HA 0.559 5.219 4.660 -0.001 0.000 0.321 297 W C -0.408 175.979 176.519 -0.221 0.000 1.203 297 W CA -0.897 56.378 57.345 -0.116 0.000 1.214 297 W CB 0.799 30.227 29.460 -0.054 0.000 1.169 297 W HN 0.207 nan 8.180 nan 0.000 0.561 298 V N 3.437 123.368 119.914 0.029 0.000 2.385 298 V HA 0.604 4.724 4.120 -0.001 0.000 0.277 298 V C -0.017 175.997 176.094 -0.134 0.000 1.012 298 V CA -0.939 61.318 62.300 -0.072 0.000 0.832 298 V CB 0.255 32.060 31.823 -0.030 0.000 1.028 298 V HN 0.661 nan 8.190 nan 0.000 0.436 299 A N 3.474 126.139 122.820 -0.258 0.000 2.320 299 A HA 0.928 5.248 4.320 -0.001 0.000 0.334 299 A C 0.492 177.904 177.584 -0.286 0.000 1.147 299 A CA -0.232 51.661 52.037 -0.239 0.000 0.820 299 A CB 1.461 20.337 19.000 -0.207 0.000 1.218 299 A HN 0.880 nan 8.150 nan 0.000 0.482 300 S N 0.269 115.751 115.700 -0.363 0.000 2.652 300 S HA 0.190 4.660 4.470 -0.001 0.000 0.267 300 S C 0.818 175.305 174.600 -0.189 0.000 1.201 300 S CA 0.243 58.154 58.200 -0.481 0.000 0.996 300 S CB 0.432 62.891 63.200 -1.235 0.000 1.054 300 S HN 0.817 nan 8.310 nan 0.000 0.561 301 D N -0.168 120.171 120.400 -0.101 0.000 2.354 301 D HA -0.074 4.566 4.640 -0.001 0.000 0.216 301 D C 1.720 178.007 176.300 -0.021 0.000 0.970 301 D CA 1.166 55.157 54.000 -0.015 0.000 0.905 301 D CB -1.099 39.731 40.800 0.051 0.000 0.903 301 D HN 0.679 nan 8.370 nan 0.000 0.508 302 G N 0.331 109.146 108.800 0.024 0.000 2.440 302 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.218 302 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.218 302 G C 1.287 176.200 174.900 0.022 0.000 1.154 302 G CA 0.815 45.883 45.100 -0.052 0.000 0.767 302 G HN 0.363 nan 8.290 nan 0.000 0.552 303 W N 1.671 122.889 121.300 -0.137 0.000 2.501 303 W HA 0.246 4.906 4.660 -0.001 0.000 0.309 303 W C 1.655 178.052 176.519 -0.204 0.000 1.165 303 W CA 1.573 58.830 57.345 -0.148 0.000 1.381 303 W CB -0.701 28.681 29.460 -0.130 0.000 1.142 303 W HN 0.515 nan 8.180 nan 0.000 0.509 304 G N 0.970 109.822 108.800 0.086 0.000 2.574 304 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.286 304 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.286 304 G C 0.414 175.046 174.900 -0.447 0.000 1.212 304 G CA 1.359 46.364 45.100 -0.158 0.000 0.979 304 G HN 1.114 nan 8.290 nan 0.000 0.557 305 A N -0.044 122.365 122.820 -0.685 0.000 2.965 305 A HA 0.606 4.926 4.320 -0.001 0.000 0.304 305 A C 0.585 177.657 177.584 -0.854 0.000 1.214 305 A CA 0.426 51.667 52.037 -1.325 0.000 0.977 305 A CB -0.041 18.198 19.000 -1.268 0.000 1.127 305 A HN 0.540 nan 8.150 nan 0.000 0.572 306 Q N 0.215 119.770 119.800 -0.408 0.000 2.296 306 Q HA 0.241 4.580 4.340 -0.001 0.000 0.257 306 Q C 0.049 176.169 176.000 0.200 0.000 0.942 306 Q CA -0.255 55.497 55.803 -0.085 0.000 0.939 306 Q CB 1.394 30.094 28.738 -0.063 0.000 1.198 306 Q HN 0.567 nan 8.270 nan 0.000 0.429 307 E N 0.880 121.246 120.200 0.276 0.000 2.152 307 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 307 E C 1.748 178.441 176.600 0.155 0.000 0.983 307 E CA 1.170 57.793 56.400 0.372 0.000 0.818 307 E CB 0.216 30.142 29.700 0.378 0.000 0.758 307 E HN 0.679 nan 8.360 nan 0.000 0.467 308 S N 0.671 116.409 115.700 0.064 0.000 2.465 308 S HA -0.125 4.344 4.470 -0.001 0.000 0.241 308 S C 1.896 176.427 174.600 -0.115 0.000 1.000 308 S CA 0.632 58.818 58.200 -0.023 0.000 0.964 308 S CB -0.328 62.855 63.200 -0.029 0.000 0.763 308 S HN 0.198 nan 8.310 nan 0.000 0.512 309 I N 0.769 121.242 120.570 -0.162 0.000 2.406 309 I HA -0.018 4.151 4.170 -0.001 0.000 0.249 309 I C 1.725 177.600 176.117 -0.405 0.000 1.122 309 I CA 0.792 61.872 61.300 -0.366 0.000 1.431 309 I CB 0.032 37.650 38.000 -0.637 0.000 1.087 309 I HN 0.243 nan 8.210 nan 0.000 0.424 310 V N 0.051 119.805 119.914 -0.267 0.000 3.650 310 V HA -0.002 4.117 4.120 -0.001 0.000 0.271 310 V C 1.093 176.989 176.094 -0.331 0.000 1.281 310 V CA -0.018 62.113 62.300 -0.282 0.000 1.120 310 V CB -0.523 31.207 31.823 -0.154 0.000 0.856 310 V HN 0.245 nan 8.190 nan 0.000 0.443 311 K N 1.819 122.052 120.400 -0.278 0.000 2.437 311 K HA 0.193 4.512 4.320 -0.001 0.000 0.277 311 K C 1.123 177.599 176.600 -0.206 0.000 1.073 311 K CA 1.089 57.223 56.287 -0.255 0.000 1.105 311 K CB -0.285 32.152 32.500 -0.105 0.000 0.881 311 K HN 0.482 nan 8.250 nan 0.000 0.475 312 G N 2.708 111.388 108.800 -0.199 0.000 2.132 312 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.234 312 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.234 312 G C 0.061 174.876 174.900 -0.142 0.000 0.989 312 G CA 0.185 45.210 45.100 -0.124 0.000 0.676 312 G HN 0.603 nan 8.290 nan 0.000 0.522 313 S N -1.031 114.537 115.700 -0.221 0.000 2.967 313 S HA 0.205 4.675 4.470 -0.001 0.000 0.236 313 S C 1.103 175.491 174.600 -0.354 0.000 0.804 313 S CA 0.408 58.426 58.200 -0.303 0.000 1.223 313 S CB 0.254 63.304 63.200 -0.251 0.000 1.268 313 S HN 0.301 nan 8.310 nan 0.000 0.573 314 E N 2.055 122.086 120.200 -0.282 0.000 2.086 314 E HA -0.257 4.093 4.350 -0.001 0.000 0.200 314 E C 1.558 178.144 176.600 -0.024 0.000 1.012 314 E CA 2.318 58.602 56.400 -0.194 0.000 0.812 314 E CB -0.466 29.101 29.700 -0.222 0.000 0.743 314 E HN 0.912 nan 8.360 nan 0.000 0.453 315 H N -1.383 117.720 119.070 0.055 0.000 2.489 315 H HA 0.022 4.577 4.556 -0.001 0.000 0.293 315 H C 1.702 177.136 175.328 0.175 0.000 1.066 315 H CA 1.140 57.245 56.048 0.094 0.000 1.305 315 H CB -0.363 29.417 29.762 0.029 0.000 1.386 315 H HN 0.027 nan 8.280 nan 0.000 0.551 316 V N 0.437 120.218 119.914 -0.221 0.000 2.591 316 V HA 0.030 4.149 4.120 -0.001 0.000 0.249 316 V C 2.397 178.708 176.094 0.361 0.000 1.053 316 V CA 1.357 63.706 62.300 0.081 0.000 1.068 316 V CB -0.419 31.393 31.823 -0.018 0.000 0.689 316 V HN 0.751 nan 8.190 nan 0.000 0.462 317 A N -1.717 121.272 122.820 0.283 0.000 2.308 317 A HA 0.176 4.495 4.320 -0.001 0.000 0.217 317 A C 0.826 178.633 177.584 0.371 0.000 1.216 317 A CA -0.332 51.978 52.037 0.455 0.000 0.864 317 A CB -0.364 18.847 19.000 0.352 0.000 0.902 317 A HN 0.483 nan 8.150 nan 0.000 0.499 318 Y N 0.830 121.242 120.300 0.186 0.000 2.811 318 Y HA 0.248 4.798 4.550 -0.001 0.000 0.334 318 Y C 1.458 177.447 175.900 0.148 0.000 1.247 318 Y CA 1.276 59.458 58.100 0.136 0.000 1.526 318 Y CB 0.255 38.794 38.460 0.132 0.000 1.284 318 Y HN 0.559 nan 8.280 nan 0.000 0.586 319 G N 2.920 111.306 108.800 -0.691 0.000 2.184 319 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.264 319 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.264 319 G C 0.345 175.141 174.900 -0.174 0.000 0.975 319 G CA 0.145 44.966 45.100 -0.465 0.000 0.642 319 G HN 1.366 nan 8.290 nan 0.000 0.536 320 A N -0.269 122.519 122.820 -0.053 0.000 2.466 320 A HA 0.596 4.915 4.320 -0.001 0.000 0.238 320 A C 0.436 177.941 177.584 -0.132 0.000 1.074 320 A CA 0.550 52.578 52.037 -0.014 0.000 0.774 320 A CB 0.297 19.300 19.000 0.004 0.000 1.015 320 A HN 0.863 nan 8.150 nan 0.000 0.498 321 I N 1.654 122.146 120.570 -0.129 0.000 2.389 321 I HA 0.395 4.565 4.170 -0.001 0.000 0.288 321 I C 0.332 176.343 176.117 -0.177 0.000 0.999 321 I CA -0.132 61.109 61.300 -0.098 0.000 1.129 321 I CB 2.074 40.082 38.000 0.013 0.000 1.288 321 I HN 0.870 nan 8.210 nan 0.000 0.444 322 T N 4.887 119.355 114.554 -0.142 0.000 2.916 322 T HA 0.733 5.083 4.350 -0.001 0.000 0.292 322 T C -0.640 174.056 174.700 -0.007 0.000 1.055 322 T CA -0.823 61.142 62.100 -0.226 0.000 1.009 322 T CB 1.886 70.473 68.868 -0.469 0.000 1.118 322 T HN 0.302 nan 8.240 nan 0.000 0.497 323 L N 0.805 122.003 121.223 -0.042 0.000 2.322 323 L HA 0.922 5.262 4.340 -0.001 0.000 0.269 323 L C -0.387 176.557 176.870 0.123 0.000 1.012 323 L CA -1.008 53.886 54.840 0.090 0.000 0.815 323 L CB 1.962 44.009 42.059 -0.021 0.000 1.295 323 L HN 0.833 nan 8.230 nan 0.000 0.438 324 E N 0.765 121.133 120.200 0.280 0.000 2.407 324 E HA 0.421 4.770 4.350 -0.001 0.000 0.279 324 E C -1.508 175.284 176.600 0.321 0.000 1.012 324 E CA -0.622 55.910 56.400 0.221 0.000 0.800 324 E CB 1.558 31.297 29.700 0.065 0.000 1.276 324 E HN 0.405 nan 8.360 nan 0.000 0.452 325 L N 1.842 123.194 121.223 0.215 0.000 2.485 325 L HA 0.411 4.750 4.340 -0.001 0.000 0.275 325 L C 0.459 177.458 176.870 0.214 0.000 1.207 325 L CA -0.183 54.724 54.840 0.112 0.000 0.855 325 L CB 0.469 42.522 42.059 -0.011 0.000 1.114 325 L HN 0.688 nan 8.230 nan 0.000 0.485 326 A N 3.224 126.128 122.820 0.140 0.000 2.491 326 A HA 0.460 4.779 4.320 -0.001 0.000 0.261 326 A C 0.280 177.940 177.584 0.126 0.000 1.101 326 A CA 0.044 52.151 52.037 0.117 0.000 0.772 326 A CB -0.051 18.993 19.000 0.073 0.000 1.043 326 A HN 0.794 nan 8.150 nan 0.000 0.501 327 S N 2.100 117.778 115.700 -0.037 0.000 2.656 327 S HA 0.792 5.261 4.470 -0.001 0.000 0.273 327 S C -1.071 173.322 174.600 -0.344 0.000 1.168 327 S CA -0.954 57.176 58.200 -0.115 0.000 0.817 327 S CB 1.007 64.135 63.200 -0.119 0.000 1.146 327 S HN 0.782 nan 8.310 nan 0.000 0.475 328 H N 0.382 119.396 119.070 -0.093 0.000 2.771 328 H HA 0.677 5.233 4.556 -0.001 0.000 0.361 328 H C -2.772 172.520 175.328 -0.060 0.000 1.108 328 H CA -1.283 54.736 56.048 -0.049 0.000 1.201 328 H CB 1.181 30.919 29.762 -0.040 0.000 1.681 328 H HN 0.527 nan 8.280 nan 0.000 0.534 329 P HA -0.002 nan 4.420 nan 0.000 0.269 329 P C -0.389 176.956 177.300 0.074 0.000 1.209 329 P CA -0.276 62.852 63.100 0.046 0.000 0.776 329 P CB 1.004 32.731 31.700 0.046 0.000 0.876 330 V N 5.400 125.356 119.914 0.072 0.000 2.339 330 V HA 0.096 4.215 4.120 -0.001 0.000 0.261 330 V C 2.006 178.178 176.094 0.131 0.000 1.058 330 V CA -0.276 62.096 62.300 0.120 0.000 0.897 330 V CB 0.327 32.218 31.823 0.112 0.000 1.052 330 V HN 0.538 nan 8.190 nan 0.000 0.480 331 R N 2.572 123.147 120.500 0.125 0.000 2.096 331 R HA -0.199 4.140 4.340 -0.001 0.000 0.240 331 R C 1.985 178.324 176.300 0.064 0.000 1.139 331 R CA 1.684 57.846 56.100 0.103 0.000 0.952 331 R CB -0.165 30.195 30.300 0.101 0.000 0.854 331 R HN 0.739 nan 8.270 nan 0.000 0.436 332 Q N -0.701 119.133 119.800 0.057 0.000 2.364 332 Q HA -0.149 4.190 4.340 -0.001 0.000 0.209 332 Q C 1.676 177.525 176.000 -0.252 0.000 0.977 332 Q CA 0.962 56.760 55.803 -0.008 0.000 0.885 332 Q CB -0.087 28.683 28.738 0.053 0.000 0.941 332 Q HN 0.233 nan 8.270 nan 0.000 0.464 333 F N 0.847 120.487 119.950 -0.517 0.000 2.293 333 F HA -0.120 4.406 4.527 -0.001 0.000 0.297 333 F C 1.462 177.108 175.800 -0.255 0.000 1.089 333 F CA 1.140 58.656 58.000 -0.806 0.000 1.377 333 F CB 0.017 38.639 39.000 -0.631 0.000 1.051 333 F HN 0.066 nan 8.300 nan 0.000 0.511 334 D N 0.312 120.640 120.400 -0.120 0.000 2.123 334 D HA -0.216 4.424 4.640 -0.001 0.000 0.196 334 D C 2.377 178.595 176.300 -0.137 0.000 0.992 334 D CA 1.111 55.111 54.000 -0.001 0.000 0.833 334 D CB -0.434 40.481 40.800 0.190 0.000 0.954 334 D HN 0.299 nan 8.370 nan 0.000 0.455 335 R N -0.327 120.106 120.500 -0.111 0.000 2.070 335 R HA -0.200 4.140 4.340 -0.001 0.000 0.233 335 R C 2.427 178.637 176.300 -0.150 0.000 1.137 335 R CA 1.165 57.214 56.100 -0.084 0.000 0.945 335 R CB -0.592 29.698 30.300 -0.016 0.000 0.845 335 R HN 0.227 nan 8.270 nan 0.000 0.430 336 Y N 0.327 120.433 120.300 -0.323 0.000 2.128 336 Y HA -0.294 4.255 4.550 -0.001 0.000 0.284 336 Y C 1.964 177.653 175.900 -0.352 0.000 1.154 336 Y CA 2.073 59.986 58.100 -0.312 0.000 1.149 336 Y CB -0.671 37.548 38.460 -0.402 0.000 0.976 336 Y HN 0.126 nan 8.280 nan 0.000 0.505 337 F N 1.177 120.615 119.950 -0.853 0.000 2.146 337 F HA -0.174 4.353 4.527 -0.001 0.000 0.298 337 F C 2.290 177.747 175.800 -0.572 0.000 1.096 337 F CA 2.004 59.499 58.000 -0.841 0.000 1.275 337 F CB -0.578 37.809 39.000 -1.022 0.000 1.008 337 F HN 0.162 nan 8.300 nan 0.000 0.480 338 Q N -0.802 118.726 119.800 -0.455 0.000 2.369 338 Q HA -0.114 4.225 4.340 -0.001 0.000 0.206 338 Q C 2.172 178.034 176.000 -0.231 0.000 0.963 338 Q CA 1.247 56.856 55.803 -0.323 0.000 0.894 338 Q CB -0.244 28.391 28.738 -0.172 0.000 0.965 338 Q HN 0.476 nan 8.270 nan 0.000 0.475 339 S N -0.391 115.134 115.700 -0.292 0.000 2.527 339 S HA 0.072 4.542 4.470 -0.001 0.000 0.222 339 S C 0.722 175.159 174.600 -0.271 0.000 0.985 339 S CA -0.248 57.816 58.200 -0.227 0.000 0.921 339 S CB -0.032 63.038 63.200 -0.216 0.000 0.772 339 S HN 0.163 nan 8.310 nan 0.000 0.529 340 L N 3.665 124.654 121.223 -0.390 0.000 2.367 340 L HA 0.413 4.752 4.340 -0.001 0.000 0.275 340 L C 0.275 177.080 176.870 -0.109 0.000 1.129 340 L CA -0.311 54.276 54.840 -0.422 0.000 0.839 340 L CB 0.290 41.953 42.059 -0.661 0.000 1.133 340 L HN 0.556 nan 8.230 nan 0.000 0.453 341 N N 2.597 121.152 118.700 -0.241 0.000 2.708 341 N HA 0.332 5.071 4.740 -0.001 0.000 0.257 341 N C -2.697 172.561 175.510 -0.420 0.000 1.373 341 N CA -1.605 51.291 53.050 -0.256 0.000 0.843 341 N CB 2.190 40.595 38.487 -0.137 0.000 1.503 341 N HN 0.107 nan 8.380 nan 0.000 0.504 342 P HA -0.160 nan 4.420 nan 0.000 0.220 342 P C 0.584 177.369 177.300 -0.859 0.000 1.144 342 P CA 1.447 64.103 63.100 -0.740 0.000 0.800 342 P CB -0.106 30.956 31.700 -1.062 0.000 0.772 343 Y N 1.421 121.460 120.300 -0.435 0.000 2.314 343 Y HA -0.048 4.502 4.550 -0.001 0.000 0.294 343 Y C 2.199 177.828 175.900 -0.451 0.000 1.119 343 Y CA 1.279 59.158 58.100 -0.367 0.000 1.179 343 Y CB -1.439 36.878 38.460 -0.238 0.000 1.025 343 Y HN 0.128 nan 8.280 nan 0.000 0.541 344 N N -1.100 117.435 118.700 -0.276 0.000 2.254 344 N HA -0.022 4.718 4.740 -0.001 0.000 0.190 344 N C -0.059 175.229 175.510 -0.370 0.000 1.107 344 N CA 0.277 53.166 53.050 -0.269 0.000 0.869 344 N CB -0.167 38.210 38.487 -0.183 0.000 0.983 344 N HN 0.033 nan 8.380 nan 0.000 0.487 345 N N 0.353 118.725 118.700 -0.545 0.000 3.040 345 N HA 0.088 4.828 4.740 -0.001 0.000 0.305 345 N C -0.234 175.053 175.510 -0.372 0.000 1.611 345 N CA -0.256 52.476 53.050 -0.531 0.000 1.049 345 N CB -0.255 37.651 38.487 -0.969 0.000 1.342 345 N HN 0.175 nan 8.380 nan 0.000 0.497 346 H N 0.096 119.085 119.070 -0.134 0.000 2.548 346 H HA 0.053 4.609 4.556 -0.001 0.000 0.268 346 H C 1.510 176.808 175.328 -0.050 0.000 0.975 346 H CA 0.604 56.604 56.048 -0.080 0.000 1.195 346 H CB 0.499 30.221 29.762 -0.067 0.000 1.397 346 H HN 0.568 nan 8.280 nan 0.000 0.572 347 R N 0.535 121.071 120.500 0.059 0.000 2.276 347 R HA -0.030 4.310 4.340 -0.001 0.000 0.203 347 R C 0.326 176.672 176.300 0.076 0.000 1.017 347 R CA 0.470 56.605 56.100 0.059 0.000 1.010 347 R CB 0.032 30.367 30.300 0.058 0.000 0.900 347 R HN -0.079 nan 8.270 nan 0.000 0.469 348 N N 2.313 121.062 118.700 0.082 0.000 2.589 348 N HA 0.137 4.876 4.740 -0.001 0.000 0.232 348 N C -1.871 173.739 175.510 0.167 0.000 1.015 348 N CA -2.726 50.437 53.050 0.189 0.000 0.931 348 N CB 1.528 40.151 38.487 0.227 0.000 1.150 348 N HN -0.021 nan 8.380 nan 0.000 0.512 349 P HA -0.060 nan 4.420 nan 0.000 0.231 349 P C 0.488 177.673 177.300 -0.191 0.000 1.158 349 P CA 0.934 63.898 63.100 -0.226 0.000 0.763 349 P CB 0.108 31.488 31.700 -0.534 0.000 0.805 350 W N -2.510 118.908 121.300 0.197 0.000 3.177 350 W HA 0.190 4.850 4.660 -0.001 0.000 0.309 350 W C 1.598 178.279 176.519 0.270 0.000 1.224 350 W CA -0.518 56.947 57.345 0.200 0.000 1.718 350 W CB -0.768 28.795 29.460 0.172 0.000 1.078 350 W HN -0.108 nan 8.180 nan 0.000 0.618 351 F N 1.998 122.148 119.950 0.332 0.000 2.134 351 F HA -0.185 4.341 4.527 -0.001 0.000 0.299 351 F C 2.416 178.439 175.800 0.370 0.000 1.097 351 F CA 1.812 60.018 58.000 0.343 0.000 1.264 351 F CB -0.186 38.923 39.000 0.182 0.000 1.001 351 F HN -0.265 nan 8.300 nan 0.000 0.479 352 R N 0.028 120.704 120.500 0.295 0.000 2.083 352 R HA -0.177 4.163 4.340 -0.001 0.000 0.237 352 R C 1.901 178.303 176.300 0.170 0.000 1.137 352 R CA 1.698 57.899 56.100 0.168 0.000 0.951 352 R CB -0.747 29.619 30.300 0.110 0.000 0.851 352 R HN 0.267 nan 8.270 nan 0.000 0.434 353 D N 0.319 120.834 120.400 0.192 0.000 2.144 353 D HA -0.182 4.458 4.640 -0.001 0.000 0.199 353 D C 1.616 178.002 176.300 0.143 0.000 0.984 353 D CA 1.008 55.109 54.000 0.168 0.000 0.834 353 D CB -0.283 40.642 40.800 0.209 0.000 0.955 353 D HN 0.107 nan 8.370 nan 0.000 0.465 354 F N 0.709 120.682 119.950 0.038 0.000 2.095 354 F HA -0.188 4.339 4.527 -0.001 0.000 0.298 354 F C 2.294 178.016 175.800 -0.129 0.000 1.104 354 F CA 1.430 59.392 58.000 -0.064 0.000 1.232 354 F CB -0.456 38.469 39.000 -0.126 0.000 0.987 354 F HN 0.043 nan 8.300 nan 0.000 0.475 355 W N 1.845 122.791 121.300 -0.590 0.000 2.335 355 W HA -0.214 4.446 4.660 -0.001 0.000 0.311 355 W C 2.145 178.509 176.519 -0.257 0.000 1.213 355 W CA 2.336 59.371 57.345 -0.517 0.000 1.274 355 W CB -0.526 28.788 29.460 -0.245 0.000 1.148 355 W HN 0.214 nan 8.180 nan 0.000 0.498 356 E N -0.286 119.958 120.200 0.074 0.000 2.110 356 E HA -0.310 4.039 4.350 -0.001 0.000 0.193 356 E C 2.130 178.668 176.600 -0.103 0.000 0.988 356 E CA 1.475 57.898 56.400 0.039 0.000 0.804 356 E CB -0.444 29.304 29.700 0.080 0.000 0.745 356 E HN 0.424 nan 8.360 nan 0.000 0.458 357 Q N 1.142 120.830 119.800 -0.186 0.000 2.096 357 Q HA -0.146 4.193 4.340 -0.001 0.000 0.197 357 Q C 2.149 177.933 176.000 -0.359 0.000 0.964 357 Q CA 1.028 56.705 55.803 -0.211 0.000 0.838 357 Q CB 0.115 28.767 28.738 -0.143 0.000 0.906 357 Q HN 0.023 nan 8.270 nan 0.000 0.444 358 K N -0.267 119.737 120.400 -0.661 0.000 2.026 358 K HA -0.129 4.190 4.320 -0.001 0.000 0.208 358 K C 1.142 177.224 176.600 -0.864 0.000 1.048 358 K CA 1.467 57.208 56.287 -0.911 0.000 0.929 358 K CB -0.088 31.476 32.500 -1.560 0.000 0.713 358 K HN 0.214 nan 8.250 nan 0.000 0.439 359 F N 1.317 120.972 119.950 -0.492 0.000 2.727 359 F HA 0.182 4.708 4.527 -0.001 0.000 0.302 359 F C -0.050 175.613 175.800 -0.228 0.000 1.097 359 F CA -0.412 57.360 58.000 -0.379 0.000 1.330 359 F CB 0.488 39.183 39.000 -0.508 0.000 1.084 359 F HN 0.013 nan 8.300 nan 0.000 0.578 360 Q N -0.357 119.387 119.800 -0.093 0.000 2.460 360 Q HA -0.209 4.130 4.340 -0.001 0.000 0.311 360 Q C 0.187 176.182 176.000 -0.009 0.000 1.396 360 Q CA 0.392 56.158 55.803 -0.061 0.000 0.838 360 Q CB -2.227 26.478 28.738 -0.054 0.000 1.140 360 Q HN 0.479 nan 8.270 nan 0.000 0.415 361 c N -0.344 118.268 118.600 0.020 0.000 2.062 361 c HA 0.754 5.324 4.570 -0.001 0.000 0.333 361 c C 1.058 175.192 174.090 0.073 0.000 2.881 361 c CA 0.014 56.387 56.329 0.075 0.000 1.825 361 c CB 1.533 44.142 42.510 0.165 0.000 2.184 361 c HN 0.720 nan 8.230 nan 0.000 0.359 362 S N -1.102 114.661 115.700 0.105 0.000 2.785 362 S HA 0.344 4.814 4.470 -0.001 0.000 0.286 362 S C -0.754 173.900 174.600 0.089 0.000 0.918 362 S CA -0.542 57.717 58.200 0.099 0.000 0.866 362 S CB 0.262 63.519 63.200 0.095 0.000 1.087 362 S HN 0.507 nan 8.310 nan 0.000 0.472 363 L N 1.131 122.396 121.223 0.070 0.000 3.610 363 L HA 0.526 4.865 4.340 -0.001 0.000 0.178 363 L C 0.723 177.614 176.870 0.035 0.000 1.158 363 L CA 0.182 55.051 54.840 0.048 0.000 0.852 363 L CB -1.071 41.001 42.059 0.021 0.000 1.595 363 L HN 0.672 nan 8.230 nan 0.000 0.621 364 Q N -0.621 119.194 119.800 0.026 0.000 1.778 364 Q HA 0.180 4.519 4.340 -0.001 0.000 0.170 364 Q C -0.096 175.913 176.000 0.014 0.000 0.765 364 Q CA 0.105 55.919 55.803 0.017 0.000 0.842 364 Q CB 1.026 29.770 28.738 0.010 0.000 1.226 364 Q HN 0.383 nan 8.270 nan 0.000 0.387 365 N N 1.072 119.786 118.700 0.022 0.000 2.696 365 N HA 0.200 4.939 4.740 -0.001 0.000 0.308 365 N C -0.847 174.689 175.510 0.044 0.000 1.915 365 N CA 0.242 53.306 53.050 0.024 0.000 0.906 365 N CB 0.699 39.197 38.487 0.017 0.000 1.284 365 N HN 0.043 nan 8.380 nan 0.000 0.488 366 K N 0.046 120.474 120.400 0.047 0.000 2.507 366 K HA 0.421 4.741 4.320 -0.001 0.000 0.284 366 K C -0.272 176.352 176.600 0.040 0.000 1.038 366 K CA -0.645 55.686 56.287 0.074 0.000 0.903 366 K CB 1.592 34.164 32.500 0.120 0.000 1.531 366 K HN -0.032 nan 8.250 nan 0.000 0.430 367 R N 0.813 121.343 120.500 0.050 0.000 2.896 367 R HA 0.107 4.446 4.340 -0.001 0.000 0.283 367 R C -0.037 176.075 176.300 -0.313 0.000 1.201 367 R CA -0.254 55.764 56.100 -0.137 0.000 1.178 367 R CB -0.361 29.824 30.300 -0.191 0.000 1.152 367 R HN 0.589 nan 8.270 nan 0.000 0.590 368 N N 2.251 120.687 118.700 -0.440 0.000 2.744 368 N HA 0.008 4.748 4.740 -0.001 0.000 0.290 368 N C -0.048 175.200 175.510 -0.437 0.000 1.206 368 N CA 0.396 53.252 53.050 -0.324 0.000 1.119 368 N CB 0.056 38.419 38.487 -0.206 0.000 1.449 368 N HN 0.372 nan 8.380 nan 0.000 0.514 369 H N 0.559 119.635 119.070 0.011 0.000 3.878 369 H HA 0.575 5.130 4.556 -0.001 0.000 0.332 369 H C 0.506 175.840 175.328 0.011 0.000 1.613 369 H CA -0.222 55.832 56.048 0.010 0.000 1.413 369 H CB 1.303 31.072 29.762 0.011 0.000 1.066 369 H HN 0.189 nan 8.280 nan 0.000 0.797 370 R N -0.652 119.958 120.500 0.183 0.000 2.870 370 R HA 0.257 4.597 4.340 -0.001 0.000 0.262 370 R C -1.002 175.340 176.300 0.069 0.000 1.112 370 R CA -0.927 55.228 56.100 0.092 0.000 0.976 370 R CB 1.372 31.711 30.300 0.065 0.000 1.261 370 R HN 0.565 nan 8.270 nan 0.000 0.453 371 Q N 1.104 120.933 119.800 0.048 0.000 2.418 371 Q HA -0.125 4.214 4.340 -0.001 0.000 0.340 371 Q C -0.817 175.210 176.000 0.045 0.000 1.428 371 Q CA 0.026 55.851 55.803 0.037 0.000 0.874 371 Q CB -0.362 28.391 28.738 0.026 0.000 1.094 371 Q HN 0.461 nan 8.270 nan 0.000 0.334 372 V N 2.031 121.973 119.914 0.046 0.000 3.625 372 V HA 0.111 4.231 4.120 -0.001 0.000 0.302 372 V C 0.398 176.526 176.094 0.056 0.000 1.112 372 V CA 0.644 62.975 62.300 0.052 0.000 1.173 372 V CB 1.175 33.024 31.823 0.044 0.000 1.096 372 V HN 0.813 nan 8.190 nan 0.000 0.486 373 c N 3.164 121.808 118.600 0.073 0.000 2.456 373 c HA 0.373 4.943 4.570 -0.001 0.000 0.325 373 c C -0.156 173.978 174.090 0.073 0.000 1.217 373 c CA -0.917 55.461 56.329 0.081 0.000 1.687 373 c CB 0.961 43.556 42.510 0.140 0.000 2.270 373 c HN 0.979 nan 8.230 nan 0.000 0.499 374 D N 1.997 122.424 120.400 0.044 0.000 2.472 374 D HA -0.003 4.636 4.640 -0.001 0.000 0.248 374 D C 0.838 177.159 176.300 0.036 0.000 1.174 374 D CA 0.532 54.553 54.000 0.034 0.000 0.883 374 D CB 0.748 41.564 40.800 0.027 0.000 1.149 374 D HN 0.534 nan 8.370 nan 0.000 0.488 375 K N 2.561 122.937 120.400 -0.040 0.000 2.574 375 K HA -0.104 4.215 4.320 -0.001 0.000 0.193 375 K C 0.901 177.350 176.600 -0.252 0.000 1.035 375 K CA 0.609 56.827 56.287 -0.114 0.000 0.982 375 K CB 0.278 32.618 32.500 -0.265 0.000 0.795 375 K HN 0.484 nan 8.250 nan 0.000 0.491 376 H N -0.150 118.919 119.070 -0.002 0.000 2.549 376 H HA 0.103 4.658 4.556 -0.001 0.000 0.279 376 H C 0.168 175.481 175.328 -0.026 0.000 1.018 376 H CA -0.341 55.693 56.048 -0.024 0.000 1.175 376 H CB 0.259 29.998 29.762 -0.037 0.000 1.485 376 H HN 0.002 nan 8.280 nan 0.000 0.543 377 L N 1.402 122.649 121.223 0.040 0.000 2.483 377 L HA 0.333 4.672 4.340 -0.001 0.000 0.275 377 L C 0.430 177.283 176.870 -0.029 0.000 1.220 377 L CA 0.085 54.804 54.840 -0.201 0.000 0.833 377 L CB 0.385 42.099 42.059 -0.574 0.000 1.102 377 L HN 0.224 nan 8.230 nan 0.000 0.490 378 A N 3.932 126.650 122.820 -0.170 0.000 2.604 378 A HA 0.602 4.922 4.320 -0.001 0.000 0.295 378 A C -1.011 176.655 177.584 0.137 0.000 1.067 378 A CA -0.645 51.463 52.037 0.118 0.000 0.683 378 A CB 0.707 19.778 19.000 0.118 0.000 1.281 378 A HN 0.493 nan 8.150 nan 0.000 0.407 379 I N 2.613 123.310 120.570 0.211 0.000 2.379 379 I HA 0.377 4.546 4.170 -0.001 0.000 0.290 379 I C -0.267 175.904 176.117 0.090 0.000 1.063 379 I CA 0.297 61.682 61.300 0.142 0.000 1.351 379 I CB 0.447 38.423 38.000 -0.040 0.000 1.410 379 I HN 0.816 nan 8.210 nan 0.000 0.505 380 D N 2.479 122.975 120.400 0.159 0.000 2.752 380 D HA 0.142 4.781 4.640 -0.001 0.000 0.313 380 D C 0.684 177.121 176.300 0.229 0.000 1.225 380 D CA -0.501 53.593 54.000 0.157 0.000 0.976 380 D CB 0.542 41.403 40.800 0.102 0.000 1.443 380 D HN 0.295 nan 8.370 nan 0.000 0.515 381 S N -0.866 114.941 115.700 0.179 0.000 2.462 381 S HA -0.211 4.258 4.470 -0.001 0.000 0.243 381 S C 1.570 176.233 174.600 0.106 0.000 1.003 381 S CA 1.559 59.851 58.200 0.153 0.000 0.970 381 S CB -0.900 62.361 63.200 0.101 0.000 0.762 381 S HN 0.646 nan 8.310 nan 0.000 0.510 382 S N 1.946 117.704 115.700 0.098 0.000 2.503 382 S HA 0.084 4.554 4.470 -0.001 0.000 0.217 382 S C 1.027 175.668 174.600 0.067 0.000 0.999 382 S CA 0.268 58.506 58.200 0.064 0.000 0.914 382 S CB -0.470 62.759 63.200 0.049 0.000 0.782 382 S HN 0.791 nan 8.310 nan 0.000 0.520 383 N N -0.521 118.248 118.700 0.114 0.000 2.143 383 N HA 0.200 4.940 4.740 -0.001 0.000 0.229 383 N C -0.592 175.023 175.510 0.176 0.000 1.294 383 N CA -0.675 52.435 53.050 0.100 0.000 0.883 383 N CB -0.114 38.424 38.487 0.085 0.000 1.148 383 N HN 0.539 nan 8.380 nan 0.000 0.511 384 Y N 0.392 120.738 120.300 0.077 0.000 2.457 384 Y HA 0.617 5.167 4.550 -0.001 0.000 0.343 384 Y C -1.610 174.349 175.900 0.098 0.000 0.994 384 Y CA -1.085 57.091 58.100 0.126 0.000 1.031 384 Y CB 1.772 40.363 38.460 0.219 0.000 1.246 384 Y HN 0.104 nan 8.280 nan 0.000 0.449 385 E N 5.182 124.920 120.200 -0.769 0.000 2.278 385 E HA 0.197 4.547 4.350 -0.001 0.000 0.272 385 E C -1.530 174.582 176.600 -0.814 0.000 0.890 385 E CA -0.888 55.063 56.400 -0.748 0.000 0.770 385 E CB 1.695 31.224 29.700 -0.286 0.000 1.212 385 E HN 0.851 nan 8.360 nan 0.000 0.415 386 Q N 3.308 122.671 119.800 -0.728 0.000 2.269 386 Q HA -0.089 4.251 4.340 -0.001 0.000 0.300 386 Q C -0.078 175.830 176.000 -0.154 0.000 1.070 386 Q CA 0.350 56.012 55.803 -0.235 0.000 0.957 386 Q CB 0.687 29.426 28.738 0.001 0.000 1.131 386 Q HN 0.474 nan 8.270 nan 0.000 0.377 387 E N 2.596 122.734 120.200 -0.102 0.000 2.442 387 E HA -0.098 4.251 4.350 -0.001 0.000 0.262 387 E C 0.324 176.867 176.600 -0.095 0.000 1.004 387 E CA 0.349 56.688 56.400 -0.102 0.000 0.928 387 E CB 1.248 30.891 29.700 -0.096 0.000 0.937 387 E HN 0.857 nan 8.360 nan 0.000 0.446 388 S N 3.633 119.278 115.700 -0.091 0.000 2.392 388 S HA -0.176 4.294 4.470 -0.001 0.000 0.232 388 S C 1.191 175.808 174.600 0.028 0.000 1.041 388 S CA 1.605 59.770 58.200 -0.057 0.000 1.026 388 S CB 0.093 63.236 63.200 -0.094 0.000 0.845 388 S HN 0.473 nan 8.310 nan 0.000 0.465 389 K N 0.414 120.859 120.400 0.075 0.000 2.387 389 K HA 0.210 4.529 4.320 -0.001 0.000 0.198 389 K C 1.318 177.980 176.600 0.104 0.000 1.022 389 K CA -0.262 56.179 56.287 0.257 0.000 1.128 389 K CB 0.131 32.836 32.500 0.342 0.000 0.853 389 K HN 0.322 nan 8.250 nan 0.000 0.523 390 I N 1.842 122.356 120.570 -0.094 0.000 2.145 390 I HA -0.370 3.800 4.170 -0.001 0.000 0.244 390 I C 2.380 178.381 176.117 -0.194 0.000 1.075 390 I CA 1.683 62.833 61.300 -0.251 0.000 1.332 390 I CB -0.780 36.958 38.000 -0.437 0.000 1.033 390 I HN 0.373 nan 8.210 nan 0.000 0.410 391 M N 0.298 119.767 119.600 -0.219 0.000 2.089 391 M HA -0.300 4.179 4.480 -0.001 0.000 0.257 391 M C 2.423 178.596 176.300 -0.211 0.000 1.071 391 M CA 2.218 57.361 55.300 -0.262 0.000 1.096 391 M CB -0.307 32.023 32.600 -0.450 0.000 1.330 391 M HN 0.066 nan 8.290 nan 0.000 0.403 392 F N -0.722 119.267 119.950 0.064 0.000 2.234 392 F HA -0.174 4.353 4.527 -0.001 0.000 0.299 392 F C 2.176 178.086 175.800 0.184 0.000 1.087 392 F CA 0.879 58.955 58.000 0.126 0.000 1.340 392 F CB -0.703 38.389 39.000 0.153 0.000 1.031 392 F HN -0.021 nan 8.300 nan 0.000 0.500 393 V N -0.568 119.495 119.914 0.248 0.000 2.307 393 V HA -0.234 3.885 4.120 -0.001 0.000 0.245 393 V C 2.266 178.478 176.094 0.197 0.000 1.045 393 V CA 1.455 63.844 62.300 0.148 0.000 1.024 393 V CB -0.636 31.103 31.823 -0.140 0.000 0.651 393 V HN 0.154 nan 8.190 nan 0.000 0.449 394 V N 0.844 120.848 119.914 0.149 0.000 2.295 394 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 394 V C 2.309 178.595 176.094 0.320 0.000 1.049 394 V CA 2.216 64.675 62.300 0.264 0.000 1.024 394 V CB -0.916 31.066 31.823 0.265 0.000 0.648 394 V HN 0.564 nan 8.190 nan 0.000 0.447 395 N N 0.517 119.345 118.700 0.214 0.000 2.244 395 N HA -0.081 4.658 4.740 -0.001 0.000 0.183 395 N C 1.836 177.532 175.510 0.309 0.000 1.016 395 N CA 1.509 54.687 53.050 0.212 0.000 0.866 395 N CB -0.533 38.022 38.487 0.112 0.000 0.980 395 N HN 0.502 nan 8.380 nan 0.000 0.430 396 A N 0.696 123.717 122.820 0.334 0.000 1.877 396 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 396 A C 2.458 180.224 177.584 0.302 0.000 1.186 396 A CA 1.399 53.649 52.037 0.354 0.000 0.620 396 A CB -0.828 18.394 19.000 0.370 0.000 0.822 396 A HN 0.091 nan 8.150 nan 0.000 0.443 397 V N -1.568 118.516 119.914 0.283 0.000 2.295 397 V HA -0.287 3.832 4.120 -0.001 0.000 0.246 397 V C 2.382 178.574 176.094 0.163 0.000 1.049 397 V CA 2.054 64.468 62.300 0.190 0.000 1.024 397 V CB -1.111 30.813 31.823 0.169 0.000 0.648 397 V HN 0.637 nan 8.190 nan 0.000 0.447 398 Y N 0.578 120.976 120.300 0.164 0.000 2.274 398 Y HA -0.143 4.407 4.550 -0.001 0.000 0.290 398 Y C 2.489 178.571 175.900 0.303 0.000 1.145 398 Y CA 1.246 59.466 58.100 0.200 0.000 1.203 398 Y CB -0.766 37.813 38.460 0.198 0.000 0.984 398 Y HN 0.188 nan 8.280 nan 0.000 0.533 399 A N -0.449 122.630 122.820 0.432 0.000 1.877 399 A HA -0.272 4.047 4.320 -0.001 0.000 0.216 399 A C 2.235 180.055 177.584 0.394 0.000 1.186 399 A CA 2.052 54.385 52.037 0.492 0.000 0.620 399 A CB -0.787 18.631 19.000 0.697 0.000 0.822 399 A HN 0.441 nan 8.150 nan 0.000 0.443 400 M N 0.038 119.729 119.600 0.151 0.000 2.117 400 M HA -0.041 4.439 4.480 -0.001 0.000 0.262 400 M C 2.185 178.487 176.300 0.004 0.000 1.065 400 M CA 1.778 57.022 55.300 -0.093 0.000 1.114 400 M CB -0.513 32.013 32.600 -0.124 0.000 1.361 400 M HN 0.391 nan 8.290 nan 0.000 0.408 401 A N -0.934 121.898 122.820 0.019 0.000 1.877 401 A HA -0.218 4.101 4.320 -0.001 0.000 0.216 401 A C 2.145 179.741 177.584 0.021 0.000 1.186 401 A CA 1.904 53.910 52.037 -0.051 0.000 0.620 401 A CB -1.345 17.520 19.000 -0.225 0.000 0.822 401 A HN 0.695 nan 8.150 nan 0.000 0.443 402 H N -0.638 118.496 119.070 0.107 0.000 2.421 402 H HA -0.055 4.500 4.556 -0.001 0.000 0.298 402 H C 2.511 177.952 175.328 0.187 0.000 1.087 402 H CA 1.394 57.540 56.048 0.163 0.000 1.330 402 H CB -0.178 29.688 29.762 0.172 0.000 1.388 402 H HN 0.548 nan 8.280 nan 0.000 0.526 403 A N 0.881 123.876 122.820 0.290 0.000 1.898 403 A HA -0.081 4.239 4.320 -0.001 0.000 0.216 403 A C 2.651 180.315 177.584 0.133 0.000 1.181 403 A CA 0.767 52.939 52.037 0.226 0.000 0.620 403 A CB -0.689 18.450 19.000 0.233 0.000 0.819 403 A HN 0.243 nan 8.150 nan 0.000 0.442 404 L N -1.674 119.603 121.223 0.091 0.000 2.056 404 L HA -0.166 4.174 4.340 -0.001 0.000 0.207 404 L C 2.614 179.523 176.870 0.064 0.000 1.078 404 L CA 1.675 56.547 54.840 0.053 0.000 0.749 404 L CB -0.638 41.434 42.059 0.022 0.000 0.901 404 L HN 0.617 nan 8.230 nan 0.000 0.433 405 H N 0.545 119.618 119.070 0.005 0.000 2.319 405 H HA -0.242 4.314 4.556 -0.001 0.000 0.299 405 H C 2.308 177.656 175.328 0.034 0.000 1.092 405 H CA 2.169 58.218 56.048 0.000 0.000 1.302 405 H CB 0.094 29.836 29.762 -0.034 0.000 1.373 405 H HN 0.106 nan 8.280 nan 0.000 0.497 406 K N -0.264 120.162 120.400 0.044 0.000 2.057 406 K HA -0.178 4.142 4.320 -0.001 0.000 0.207 406 K C 2.411 178.991 176.600 -0.034 0.000 1.049 406 K CA 1.632 57.923 56.287 0.006 0.000 0.931 406 K CB -0.195 32.368 32.500 0.106 0.000 0.714 406 K HN 0.406 nan 8.250 nan 0.000 0.440 407 M N 0.974 120.574 119.600 0.000 0.000 2.117 407 M HA -0.237 4.243 4.480 -0.001 0.000 0.262 407 M C 2.205 178.482 176.300 -0.039 0.000 1.065 407 M CA 2.021 57.319 55.300 -0.003 0.000 1.114 407 M CB -0.107 32.506 32.600 0.022 0.000 1.361 407 M HN 0.215 nan 8.290 nan 0.000 0.408 408 Q N 0.405 120.161 119.800 -0.073 0.000 2.119 408 Q HA -0.159 4.180 4.340 -0.001 0.000 0.201 408 Q C 1.711 177.638 176.000 -0.121 0.000 0.972 408 Q CA 1.948 57.698 55.803 -0.088 0.000 0.847 408 Q CB -0.518 28.167 28.738 -0.089 0.000 0.903 408 Q HN 0.504 nan 8.270 nan 0.000 0.433 409 R N -0.272 120.107 120.500 -0.202 0.000 2.092 409 R HA -0.028 4.312 4.340 -0.001 0.000 0.231 409 R C 2.261 178.515 176.300 -0.077 0.000 1.119 409 R CA 1.846 57.849 56.100 -0.163 0.000 0.970 409 R CB -0.358 29.818 30.300 -0.206 0.000 0.864 409 R HN 0.368 nan 8.270 nan 0.000 0.440 410 T N 0.799 115.317 114.554 -0.059 0.000 2.857 410 T HA -0.008 4.342 4.350 -0.001 0.000 0.266 410 T C 1.645 176.334 174.700 -0.018 0.000 1.048 410 T CA 0.931 63.015 62.100 -0.026 0.000 1.139 410 T CB 0.064 68.924 68.868 -0.012 0.000 0.874 410 T HN 0.132 nan 8.240 nan 0.000 0.455 411 L N -0.225 120.986 121.223 -0.020 0.000 2.513 411 L HA 0.225 4.564 4.340 -0.001 0.000 0.222 411 L C 0.470 177.332 176.870 -0.013 0.000 1.096 411 L CA 0.198 55.031 54.840 -0.011 0.000 0.857 411 L CB 0.358 42.415 42.059 -0.004 0.000 1.026 411 L HN 0.216 nan 8.230 nan 0.000 0.469 412 c N 1.021 119.607 118.600 -0.023 0.000 3.094 412 c HA 0.254 4.824 4.570 -0.001 0.000 0.262 412 c C -0.772 173.304 174.090 -0.023 0.000 1.459 412 c CA -0.994 55.323 56.329 -0.021 0.000 1.570 412 c CB -0.270 42.226 42.510 -0.023 0.000 2.056 412 c HN 0.204 nan 8.230 nan 0.000 0.499 413 P HA -0.162 nan 4.420 nan 0.000 0.223 413 P C 1.042 178.337 177.300 -0.008 0.000 1.144 413 P CA 1.515 64.606 63.100 -0.014 0.000 0.783 413 P CB 0.359 32.054 31.700 -0.008 0.000 0.771 414 Q N -0.337 119.459 119.800 -0.007 0.000 2.402 414 Q HA 0.067 4.407 4.340 -0.001 0.000 0.206 414 Q C 0.746 176.745 176.000 -0.003 0.000 0.919 414 Q CA 0.789 56.590 55.803 -0.003 0.000 0.923 414 Q CB 0.341 29.078 28.738 -0.002 0.000 1.048 414 Q HN 0.357 nan 8.270 nan 0.000 0.515 415 T N -3.775 110.776 114.554 -0.006 0.000 2.841 415 T HA 0.242 4.591 4.350 -0.001 0.000 0.296 415 T C 0.550 175.245 174.700 -0.008 0.000 1.166 415 T CA -0.504 61.593 62.100 -0.005 0.000 1.007 415 T CB 1.475 70.340 68.868 -0.005 0.000 1.253 415 T HN 0.010 nan 8.240 nan 0.000 0.511 416 T N -1.940 112.612 114.554 -0.004 0.000 3.163 416 T HA 0.335 4.685 4.350 -0.001 0.000 0.252 416 T C 0.278 174.976 174.700 -0.002 0.000 1.056 416 T CA -0.298 61.802 62.100 0.000 0.000 0.947 416 T CB -0.428 68.445 68.868 0.008 0.000 1.016 416 T HN 0.557 nan 8.240 nan 0.000 0.554 417 K N 0.689 121.085 120.400 -0.006 0.000 2.139 417 K HA 0.442 4.761 4.320 -0.001 0.000 0.243 417 K C -0.517 176.079 176.600 -0.008 0.000 0.983 417 K CA -1.133 55.150 56.287 -0.006 0.000 0.890 417 K CB 1.126 33.623 32.500 -0.005 0.000 1.090 417 K HN 0.006 nan 8.250 nan 0.000 0.445 418 L N 4.246 125.466 121.223 -0.006 0.000 2.617 418 L HA 0.014 4.353 4.340 -0.001 0.000 0.282 418 L C 0.310 177.178 176.870 -0.003 0.000 1.174 418 L CA 0.226 55.063 54.840 -0.005 0.000 1.016 418 L CB -1.316 40.742 42.059 -0.002 0.000 1.337 418 L HN 0.785 nan 8.230 nan 0.000 0.460 419 c N 2.478 121.076 118.600 -0.005 0.000 2.633 419 c HA 0.192 4.762 4.570 -0.001 0.000 0.345 419 c C 1.853 175.943 174.090 0.000 0.000 1.384 419 c CA -0.898 55.429 56.329 -0.003 0.000 2.418 419 c CB 0.440 42.947 42.510 -0.004 0.000 2.425 419 c HN 0.755 nan 8.230 nan 0.000 0.705 420 D N 0.775 121.176 120.400 0.002 0.000 2.149 420 D HA -0.096 4.543 4.640 -0.001 0.000 0.198 420 D C 2.286 178.590 176.300 0.006 0.000 0.990 420 D CA 2.087 56.090 54.000 0.004 0.000 0.839 420 D CB -0.553 40.250 40.800 0.004 0.000 0.948 420 D HN 0.834 nan 8.370 nan 0.000 0.460 421 A N 0.122 122.945 122.820 0.005 0.000 2.125 421 A HA -0.084 4.235 4.320 -0.001 0.000 0.219 421 A C 1.986 179.575 177.584 0.009 0.000 1.156 421 A CA 0.932 52.972 52.037 0.007 0.000 0.671 421 A CB -0.288 18.715 19.000 0.004 0.000 0.794 421 A HN 0.171 nan 8.150 nan 0.000 0.459 422 M N -2.179 117.425 119.600 0.007 0.000 2.347 422 M HA 0.119 4.598 4.480 -0.001 0.000 0.302 422 M C 1.289 177.596 176.300 0.011 0.000 1.051 422 M CA 0.037 55.343 55.300 0.009 0.000 0.988 422 M CB 0.546 33.149 32.600 0.004 0.000 1.475 422 M HN 0.146 nan 8.290 nan 0.000 0.530 423 K N 1.876 122.282 120.400 0.011 0.000 2.032 423 K HA -0.020 4.300 4.320 -0.001 0.000 0.209 423 K C 0.717 177.327 176.600 0.016 0.000 1.048 423 K CA 1.131 57.425 56.287 0.012 0.000 0.927 423 K CB -0.143 32.363 32.500 0.011 0.000 0.712 423 K HN 0.474 nan 8.250 nan 0.000 0.441 424 I N -0.029 120.553 120.570 0.020 0.000 2.371 424 I HA 0.272 4.442 4.170 -0.001 0.000 0.282 424 I C -0.685 175.450 176.117 0.030 0.000 1.031 424 I CA -0.805 60.511 61.300 0.026 0.000 1.180 424 I CB 0.795 38.811 38.000 0.027 0.000 1.336 424 I HN -0.184 nan 8.210 nan 0.000 0.467 425 L N 4.701 125.944 121.223 0.033 0.000 2.485 425 L HA 0.114 4.453 4.340 -0.001 0.000 0.275 425 L C 0.513 177.417 176.870 0.055 0.000 1.207 425 L CA 0.277 55.142 54.840 0.041 0.000 0.855 425 L CB 0.262 42.345 42.059 0.040 0.000 1.114 425 L HN 0.668 nan 8.230 nan 0.000 0.485 426 D N 2.168 122.606 120.400 0.063 0.000 2.441 426 D HA 0.125 4.765 4.640 -0.001 0.000 0.221 426 D C 1.019 177.390 176.300 0.118 0.000 1.156 426 D CA -0.187 53.862 54.000 0.081 0.000 0.896 426 D CB 1.686 42.528 40.800 0.071 0.000 1.028 426 D HN 0.647 nan 8.370 nan 0.000 0.509 427 G N 3.939 112.826 108.800 0.146 0.000 2.432 427 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.219 427 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.219 427 G C 1.385 176.510 174.900 0.374 0.000 1.135 427 G CA 0.646 45.882 45.100 0.228 0.000 0.767 427 G HN 0.505 nan 8.290 nan 0.000 0.550 428 K N 0.130 120.738 120.400 0.347 0.000 2.057 428 K HA -0.059 4.261 4.320 -0.001 0.000 0.206 428 K C 2.453 179.153 176.600 0.166 0.000 1.050 428 K CA 1.316 57.773 56.287 0.283 0.000 0.935 428 K CB -0.090 32.546 32.500 0.226 0.000 0.715 428 K HN 0.090 nan 8.250 nan 0.000 0.439 429 K N 0.782 121.264 120.400 0.137 0.000 2.025 429 K HA -0.104 4.216 4.320 -0.001 0.000 0.207 429 K C 1.923 178.587 176.600 0.106 0.000 1.049 429 K CA 0.922 57.266 56.287 0.095 0.000 0.933 429 K CB -0.457 32.087 32.500 0.073 0.000 0.714 429 K HN 0.091 nan 8.250 nan 0.000 0.438 430 L N 0.040 121.343 121.223 0.134 0.000 2.013 430 L HA -0.231 4.108 4.340 -0.001 0.000 0.212 430 L C 2.020 178.997 176.870 0.178 0.000 1.073 430 L CA 1.878 56.800 54.840 0.136 0.000 0.753 430 L CB -0.883 41.254 42.059 0.130 0.000 0.890 430 L HN 0.340 nan 8.230 nan 0.000 0.432 431 Y N 0.661 121.009 120.300 0.080 0.000 2.274 431 Y HA -0.147 4.402 4.550 -0.001 0.000 0.290 431 Y C 1.237 177.149 175.900 0.020 0.000 1.145 431 Y CA 1.467 59.604 58.100 0.062 0.000 1.203 431 Y CB -0.057 38.329 38.460 -0.124 0.000 0.984 431 Y HN 0.208 nan 8.280 nan 0.000 0.533 432 K N 0.830 121.214 120.400 -0.026 0.000 3.016 432 K HA 0.130 4.450 4.320 -0.001 0.000 0.226 432 K C 0.111 176.689 176.600 -0.037 0.000 1.245 432 K CA 0.352 56.580 56.287 -0.098 0.000 1.174 432 K CB 0.445 32.927 32.500 -0.030 0.000 1.572 432 K HN 0.345 nan 8.250 nan 0.000 0.462 433 E N -0.692 119.497 120.200 -0.017 0.000 2.318 433 E HA -0.050 4.300 4.350 -0.001 0.000 0.180 433 E C 0.330 176.989 176.600 0.097 0.000 0.931 433 E CA 0.020 56.443 56.400 0.039 0.000 1.396 433 E CB 0.055 29.795 29.700 0.067 0.000 2.229 433 E HN 0.322 nan 8.360 nan 0.000 0.855 434 Y N 0.590 120.830 120.300 -0.099 0.000 2.558 434 Y HA 0.380 4.930 4.550 -0.001 0.000 0.273 434 Y C 1.282 177.113 175.900 -0.114 0.000 1.100 434 Y CA 0.582 58.633 58.100 -0.081 0.000 1.276 434 Y CB 0.144 38.519 38.460 -0.142 0.000 1.196 434 Y HN 0.086 nan 8.280 nan 0.000 0.527 435 L N 0.058 120.963 121.223 -0.530 0.000 2.141 435 L HA -0.162 4.177 4.340 -0.001 0.000 0.209 435 L C 1.730 178.506 176.870 -0.157 0.000 1.094 435 L CA 1.166 55.694 54.840 -0.520 0.000 0.763 435 L CB -0.291 41.453 42.059 -0.524 0.000 0.908 435 L HN 0.256 nan 8.230 nan 0.000 0.437 436 L N -0.799 120.356 121.223 -0.113 0.000 2.591 436 L HA 0.009 4.349 4.340 -0.001 0.000 0.228 436 L C 0.864 177.717 176.870 -0.027 0.000 1.133 436 L CA -0.232 54.574 54.840 -0.057 0.000 0.880 436 L CB -0.306 41.725 42.059 -0.047 0.000 1.033 436 L HN 0.004 nan 8.230 nan 0.000 0.450 437 K N 1.921 122.326 120.400 0.009 0.000 2.436 437 K HA 0.270 4.590 4.320 -0.001 0.000 0.275 437 K C -0.643 175.906 176.600 -0.086 0.000 0.999 437 K CA 0.673 56.974 56.287 0.024 0.000 0.980 437 K CB 0.305 32.897 32.500 0.153 0.000 0.919 437 K HN 0.027 nan 8.250 nan 0.000 0.484 438 I N 5.037 125.537 120.570 -0.117 0.000 2.599 438 I HA 0.161 4.330 4.170 -0.001 0.000 0.285 438 I C -0.795 175.183 176.117 -0.232 0.000 1.168 438 I CA -0.664 60.514 61.300 -0.204 0.000 1.060 438 I CB 1.631 39.526 38.000 -0.176 0.000 1.249 438 I HN 0.676 nan 8.210 nan 0.000 0.442 439 Q N 6.113 125.717 119.800 -0.326 0.000 2.565 439 Q HA 0.473 4.813 4.340 -0.001 0.000 0.294 439 Q C -2.004 173.778 176.000 -0.365 0.000 1.005 439 Q CA -0.692 54.913 55.803 -0.330 0.000 0.771 439 Q CB 2.470 30.855 28.738 -0.588 0.000 1.486 439 Q HN 0.355 nan 8.270 nan 0.000 0.422 440 F N 1.374 121.203 119.950 -0.201 0.000 2.438 440 F HA 0.232 4.759 4.527 -0.001 0.000 0.356 440 F C 0.708 176.385 175.800 -0.205 0.000 1.099 440 F CA 0.220 58.115 58.000 -0.175 0.000 1.185 440 F CB 1.361 40.275 39.000 -0.143 0.000 1.115 440 F HN 0.415 nan 8.300 nan 0.000 0.526 441 T N 3.693 118.197 114.554 -0.082 0.000 2.781 441 T HA 0.056 4.405 4.350 -0.001 0.000 0.270 441 T C 0.454 175.004 174.700 -0.251 0.000 1.022 441 T CA 0.153 62.163 62.100 -0.150 0.000 1.144 441 T CB -0.075 68.718 68.868 -0.125 0.000 1.039 441 T HN 0.829 nan 8.240 nan 0.000 0.494 442 A N 6.674 129.217 122.820 -0.462 0.000 2.610 442 A HA 0.047 4.367 4.320 -0.001 0.000 0.250 442 A C -0.248 176.802 177.584 -0.891 0.000 0.978 442 A CA -0.733 50.713 52.037 -0.985 0.000 0.827 442 A CB -0.494 17.600 19.000 -1.511 0.000 0.867 442 A HN 0.692 nan 8.150 nan 0.000 0.495 443 P HA -0.277 nan 4.420 nan 0.000 0.230 443 P C 0.688 177.814 177.300 -0.291 0.000 1.153 443 P CA 2.125 64.916 63.100 -0.515 0.000 0.891 443 P CB -0.346 31.060 31.700 -0.490 0.000 0.773 444 F N -2.207 117.720 119.950 -0.039 0.000 2.729 444 F HA -0.045 4.481 4.527 -0.001 0.000 0.299 444 F C 1.172 176.967 175.800 -0.008 0.000 1.292 444 F CA -0.176 57.837 58.000 0.023 0.000 1.450 444 F CB -0.827 38.227 39.000 0.091 0.000 1.109 444 F HN -0.003 nan 8.300 nan 0.000 0.561 445 N N 1.883 120.601 118.700 0.031 0.000 2.461 445 N HA 0.194 4.933 4.740 -0.001 0.000 0.284 445 N C -2.802 172.690 175.510 -0.030 0.000 1.049 445 N CA -1.662 51.381 53.050 -0.011 0.000 0.889 445 N CB 2.114 40.563 38.487 -0.062 0.000 1.365 445 N HN -0.171 nan 8.380 nan 0.000 0.499 446 P HA 0.063 nan 4.420 nan 0.000 0.271 446 P C 0.007 177.275 177.300 -0.055 0.000 1.233 446 P CA 0.027 63.107 63.100 -0.033 0.000 0.789 446 P CB 0.661 32.347 31.700 -0.022 0.000 0.951 447 N N 0.616 119.284 118.700 -0.053 0.000 6.461 447 N HA -0.269 4.471 4.740 -0.001 0.000 0.395 447 N C -0.383 175.103 175.510 -0.039 0.000 0.932 447 N CA 1.574 54.592 53.050 -0.054 0.000 1.356 447 N CB -1.310 37.148 38.487 -0.050 0.000 0.799 447 N HN 0.652 nan 8.380 nan 0.000 0.402 448 K N -2.373 118.024 120.400 -0.005 0.000 2.612 448 K HA 0.231 4.551 4.320 -0.001 0.000 0.199 448 K C 1.174 177.870 176.600 0.160 0.000 1.520 448 K CA 0.234 56.599 56.287 0.131 0.000 1.039 448 K CB 0.704 33.159 32.500 -0.076 0.000 1.286 448 K HN 0.574 nan 8.250 nan 0.000 0.622 449 G N 1.030 109.857 108.800 0.046 0.000 2.492 449 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.214 449 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.214 449 G C 1.075 175.976 174.900 0.001 0.000 1.147 449 G CA 0.479 45.596 45.100 0.027 0.000 0.809 449 G HN 0.199 nan 8.290 nan 0.000 0.533 450 A N 1.173 123.978 122.820 -0.024 0.000 2.478 450 A HA 0.300 4.619 4.320 -0.001 0.000 0.239 450 A C 0.778 178.329 177.584 -0.054 0.000 1.480 450 A CA 0.361 52.368 52.037 -0.049 0.000 1.308 450 A CB -0.798 18.146 19.000 -0.094 0.000 0.899 450 A HN 0.351 nan 8.150 nan 0.000 0.600 451 D N 0.557 120.933 120.400 -0.039 0.000 2.886 451 D HA -0.157 4.483 4.640 -0.001 0.000 0.221 451 D C 0.295 176.534 176.300 -0.102 0.000 1.227 451 D CA 1.149 55.105 54.000 -0.073 0.000 0.746 451 D CB -0.877 39.879 40.800 -0.072 0.000 0.935 451 D HN 0.609 nan 8.370 nan 0.000 0.399 452 S N 1.220 116.865 115.700 -0.091 0.000 2.945 452 S HA 0.396 4.865 4.470 -0.001 0.000 0.227 452 S C 0.871 175.352 174.600 -0.198 0.000 1.353 452 S CA -0.889 57.247 58.200 -0.106 0.000 1.236 452 S CB -0.385 62.788 63.200 -0.045 0.000 1.069 452 S HN 0.448 nan 8.310 nan 0.000 0.509 453 I N -0.973 119.415 120.570 -0.304 0.000 2.493 453 I HA 0.807 4.976 4.170 -0.001 0.000 0.298 453 I C -0.266 175.657 176.117 -0.322 0.000 0.998 453 I CA -1.501 59.528 61.300 -0.451 0.000 1.137 453 I CB 1.995 39.650 38.000 -0.576 0.000 1.310 453 I HN 0.082 nan 8.210 nan 0.000 0.445 454 V N 4.616 124.331 119.914 -0.331 0.000 2.435 454 V HA 0.799 4.918 4.120 -0.001 0.000 0.290 454 V C -0.444 175.379 176.094 -0.451 0.000 1.030 454 V CA -0.043 62.058 62.300 -0.332 0.000 0.881 454 V CB 1.164 32.845 31.823 -0.238 0.000 0.983 454 V HN 1.133 nan 8.190 nan 0.000 0.445 455 K N 4.251 124.282 120.400 -0.615 0.000 2.672 455 K HA 0.638 4.957 4.320 -0.001 0.000 0.295 455 K C -1.872 174.184 176.600 -0.907 0.000 1.042 455 K CA -0.900 54.971 56.287 -0.693 0.000 0.869 455 K CB 1.432 33.720 32.500 -0.354 0.000 1.541 455 K HN 0.488 nan 8.250 nan 0.000 0.396 456 F N 0.379 120.225 119.950 -0.173 0.000 2.577 456 F HA 0.355 4.882 4.527 -0.001 0.000 0.318 456 F C 0.100 175.835 175.800 -0.107 0.000 1.065 456 F CA -0.760 57.150 58.000 -0.150 0.000 0.929 456 F CB 1.688 40.537 39.000 -0.252 0.000 1.237 456 F HN 0.513 nan 8.300 nan 0.000 0.468 457 D N -0.143 120.356 120.400 0.164 0.000 2.372 457 D HA 0.083 4.722 4.640 -0.001 0.000 0.243 457 D C 1.428 177.742 176.300 0.024 0.000 1.297 457 D CA 0.594 54.664 54.000 0.117 0.000 0.958 457 D CB 0.552 41.511 40.800 0.265 0.000 1.114 457 D HN 0.692 nan 8.370 nan 0.000 0.496 458 T N -2.264 112.215 114.554 -0.125 0.000 2.951 458 T HA -0.088 4.261 4.350 -0.001 0.000 0.268 458 T C 1.582 176.101 174.700 -0.302 0.000 1.073 458 T CA 0.824 62.748 62.100 -0.293 0.000 1.134 458 T CB -0.398 68.169 68.868 -0.502 0.000 0.884 458 T HN 0.292 nan 8.240 nan 0.000 0.479 459 F N 1.696 121.689 119.950 0.072 0.000 2.797 459 F HA 0.439 4.965 4.527 -0.001 0.000 0.302 459 F C 2.011 177.892 175.800 0.134 0.000 1.130 459 F CA 0.034 58.099 58.000 0.107 0.000 1.387 459 F CB -0.271 38.798 39.000 0.116 0.000 1.107 459 F HN 0.379 nan 8.300 nan 0.000 0.577 460 G N 0.325 109.254 108.800 0.216 0.000 2.136 460 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.242 460 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.242 460 G C -0.305 174.742 174.900 0.245 0.000 0.989 460 G CA -0.103 45.065 45.100 0.112 0.000 0.682 460 G HN 0.281 nan 8.290 nan 0.000 0.522 461 D N -0.124 120.465 120.400 0.315 0.000 2.387 461 D HA 0.624 5.264 4.640 -0.001 0.000 0.255 461 D C 1.002 177.440 176.300 0.229 0.000 1.081 461 D CA 0.565 54.736 54.000 0.285 0.000 0.994 461 D CB 1.257 42.225 40.800 0.279 0.000 1.127 461 D HN 0.364 nan 8.370 nan 0.000 0.513 462 G N -0.397 108.491 108.800 0.147 0.000 2.613 462 G HA2 0.445 4.404 3.960 -0.001 0.000 0.303 462 G HA3 0.445 4.404 3.960 -0.001 0.000 0.303 462 G C -0.096 174.808 174.900 0.006 0.000 1.312 462 G CA -0.579 44.551 45.100 0.050 0.000 1.036 462 G HN 0.185 nan 8.290 nan 0.000 0.513 463 M N 1.061 120.640 119.600 -0.035 0.000 2.200 463 M HA 0.238 4.717 4.480 -0.001 0.000 0.355 463 M C 1.017 177.233 176.300 -0.139 0.000 1.283 463 M CA -0.886 54.365 55.300 -0.081 0.000 1.124 463 M CB 0.503 33.067 32.600 -0.060 0.000 1.625 463 M HN 0.485 nan 8.290 nan 0.000 0.463 464 G N 5.450 114.107 108.800 -0.237 0.000 2.821 464 G HA2 0.270 4.229 3.960 -0.001 0.000 0.289 464 G HA3 0.270 4.229 3.960 -0.001 0.000 0.289 464 G C 0.096 174.957 174.900 -0.064 0.000 0.771 464 G CA -0.501 44.464 45.100 -0.225 0.000 1.908 464 G HN 0.502 nan 8.290 nan 0.000 0.539 465 R N 1.682 122.025 120.500 -0.260 0.000 2.480 465 R HA 0.438 4.777 4.340 -0.001 0.000 0.306 465 R C -1.423 174.727 176.300 -0.251 0.000 0.958 465 R CA -0.661 55.402 56.100 -0.061 0.000 0.861 465 R CB 1.653 31.957 30.300 0.007 0.000 1.171 465 R HN 0.428 nan 8.270 nan 0.000 0.445 466 Y N 0.338 120.818 120.300 0.300 0.000 2.536 466 Y HA 0.415 4.964 4.550 -0.001 0.000 0.347 466 Y C 0.334 176.372 175.900 0.229 0.000 1.000 466 Y CA -1.059 57.188 58.100 0.245 0.000 1.051 466 Y CB 1.882 40.468 38.460 0.210 0.000 1.259 466 Y HN 0.350 nan 8.280 nan 0.000 0.468 467 N N 0.292 119.197 118.700 0.342 0.000 2.370 467 N HA 0.591 5.330 4.740 -0.001 0.000 0.303 467 N C -1.480 174.071 175.510 0.068 0.000 1.103 467 N CA -0.582 52.548 53.050 0.133 0.000 0.848 467 N CB 2.442 40.926 38.487 -0.006 0.000 1.235 467 N HN 0.301 nan 8.380 nan 0.000 0.496 468 V N 2.430 122.265 119.914 -0.131 0.000 2.435 468 V HA 0.529 4.649 4.120 -0.001 0.000 0.290 468 V C -0.555 175.335 176.094 -0.340 0.000 1.030 468 V CA -0.501 61.749 62.300 -0.083 0.000 0.881 468 V CB 0.344 32.160 31.823 -0.013 0.000 0.983 468 V HN 0.432 nan 8.190 nan 0.000 0.445 469 F N 2.428 122.377 119.950 -0.002 0.000 2.556 469 F HA 0.517 5.043 4.527 -0.001 0.000 0.327 469 F C 0.313 176.098 175.800 -0.024 0.000 1.059 469 F CA -0.692 57.315 58.000 0.012 0.000 0.953 469 F CB 1.754 40.788 39.000 0.056 0.000 1.227 469 F HN 0.455 nan 8.300 nan 0.000 0.478 470 N N 1.564 120.345 118.700 0.135 0.000 2.352 470 N HA 0.386 5.125 4.740 -0.001 0.000 0.291 470 N C -1.896 173.562 175.510 -0.087 0.000 1.040 470 N CA -0.715 52.293 53.050 -0.069 0.000 0.864 470 N CB 1.531 39.874 38.487 -0.239 0.000 1.440 470 N HN 0.556 nan 8.380 nan 0.000 0.483 471 L N 3.524 124.638 121.223 -0.182 0.000 2.342 471 L HA 0.245 4.585 4.340 -0.001 0.000 0.285 471 L C -0.086 176.600 176.870 -0.307 0.000 1.095 471 L CA 0.497 55.142 54.840 -0.324 0.000 0.843 471 L CB 0.226 42.112 42.059 -0.288 0.000 1.201 471 L HN 0.607 nan 8.230 nan 0.000 0.445 472 Q N 2.744 122.417 119.800 -0.210 0.000 2.527 472 Q HA 0.408 4.748 4.340 -0.001 0.000 0.220 472 Q C -0.267 175.825 176.000 0.153 0.000 1.014 472 Q CA -0.678 55.071 55.803 -0.089 0.000 0.978 472 Q CB 1.334 29.946 28.738 -0.210 0.000 1.245 472 Q HN 0.602 nan 8.270 nan 0.000 0.513 473 Q N -0.223 119.741 119.800 0.273 0.000 1.793 473 Q HA -0.042 4.298 4.340 -0.001 0.000 0.186 473 Q C 1.177 177.279 176.000 0.171 0.000 0.714 473 Q CA 1.072 57.020 55.803 0.241 0.000 0.808 473 Q CB 0.256 29.179 28.738 0.309 0.000 1.211 473 Q HN 0.952 nan 8.270 nan 0.000 0.402 474 T N -0.870 113.810 114.554 0.209 0.000 2.575 474 T HA -0.277 4.073 4.350 -0.001 0.000 0.228 474 T C 1.275 176.034 174.700 0.098 0.000 1.332 474 T CA 2.253 64.456 62.100 0.172 0.000 1.074 474 T CB -1.458 67.515 68.868 0.174 0.000 0.806 474 T HN 0.416 nan 8.240 nan 0.000 0.475 475 G N 0.356 109.196 108.800 0.066 0.000 3.574 475 G HA2 0.469 4.429 3.960 -0.001 0.000 0.262 475 G HA3 0.469 4.429 3.960 -0.001 0.000 0.262 475 G C 1.235 176.150 174.900 0.026 0.000 1.231 475 G CA 0.063 45.186 45.100 0.038 0.000 1.608 475 G HN 1.529 nan 8.290 nan 0.000 0.628 476 G N 0.162 108.987 108.800 0.041 0.000 2.562 476 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.241 476 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.241 476 G C 0.734 175.657 174.900 0.039 0.000 1.120 476 G CA 0.915 46.036 45.100 0.036 0.000 0.673 476 G HN 0.820 nan 8.290 nan 0.000 0.519 477 K N 0.633 121.029 120.400 -0.006 0.000 2.098 477 K HA 0.576 4.895 4.320 -0.001 0.000 0.258 477 K C 0.073 176.636 176.600 -0.062 0.000 0.973 477 K CA -0.934 55.289 56.287 -0.106 0.000 0.898 477 K CB 0.601 32.983 32.500 -0.196 0.000 1.057 477 K HN 0.423 nan 8.250 nan 0.000 0.447 478 Y N 0.055 120.366 120.300 0.019 0.000 2.327 478 Y HA 0.518 5.068 4.550 -0.001 0.000 0.336 478 Y C -0.655 175.213 175.900 -0.054 0.000 1.035 478 Y CA -0.685 57.412 58.100 -0.005 0.000 1.165 478 Y CB 1.211 39.669 38.460 -0.003 0.000 1.181 478 Y HN 0.316 nan 8.280 nan 0.000 0.494 479 S N 1.712 117.412 115.700 -0.000 0.000 2.596 479 S HA 0.455 4.925 4.470 -0.001 0.000 0.270 479 S C -1.814 172.710 174.600 -0.126 0.000 1.155 479 S CA -1.087 57.088 58.200 -0.042 0.000 0.827 479 S CB 0.883 64.075 63.200 -0.014 0.000 1.130 479 S HN 0.553 nan 8.310 nan 0.000 0.467 480 Y N 1.303 121.646 120.300 0.071 0.000 2.341 480 Y HA 0.613 5.162 4.550 -0.001 0.000 0.340 480 Y C -0.163 175.845 175.900 0.179 0.000 0.997 480 Y CA -0.627 57.535 58.100 0.103 0.000 1.149 480 Y CB 0.871 39.348 38.460 0.028 0.000 1.171 480 Y HN 0.458 nan 8.280 nan 0.000 0.494 481 L N 4.493 125.868 121.223 0.253 0.000 2.317 481 L HA 0.465 4.805 4.340 -0.001 0.000 0.281 481 L C -0.359 176.558 176.870 0.078 0.000 1.024 481 L CA -0.943 53.979 54.840 0.136 0.000 0.810 481 L CB 1.274 43.306 42.059 -0.046 0.000 1.240 481 L HN 0.516 nan 8.230 nan 0.000 0.427 482 K N 3.804 124.157 120.400 -0.078 0.000 2.338 482 K HA 0.269 4.589 4.320 -0.001 0.000 0.290 482 K C 0.248 176.699 176.600 -0.247 0.000 1.069 482 K CA 0.000 56.016 56.287 -0.453 0.000 0.941 482 K CB 0.562 32.802 32.500 -0.433 0.000 1.023 482 K HN 0.655 nan 8.250 nan 0.000 0.477 483 V N 0.958 120.728 119.914 -0.239 0.000 3.319 483 V HA 0.499 4.619 4.120 -0.001 0.000 0.317 483 V C 0.389 176.435 176.094 -0.081 0.000 1.411 483 V CA 0.345 62.570 62.300 -0.125 0.000 1.112 483 V CB -0.179 31.575 31.823 -0.116 0.000 1.031 483 V HN 0.874 nan 8.190 nan 0.000 0.448 484 G N -0.039 108.706 108.800 -0.092 0.000 2.333 484 G HA2 0.479 4.438 3.960 -0.001 0.000 0.288 484 G HA3 0.479 4.438 3.960 -0.001 0.000 0.288 484 G C -1.243 173.706 174.900 0.081 0.000 1.286 484 G CA -0.103 44.991 45.100 -0.010 0.000 0.865 484 G HN 1.248 nan 8.290 nan 0.000 0.506 485 H N -2.568 116.495 119.070 -0.011 0.000 2.967 485 H HA 0.590 5.146 4.556 -0.001 0.000 0.318 485 H C -2.323 173.121 175.328 0.193 0.000 1.375 485 H CA -1.256 54.836 56.048 0.074 0.000 1.132 485 H CB 1.365 31.145 29.762 0.029 0.000 1.848 485 H HN 1.002 nan 8.280 nan 0.000 0.524 486 W N 1.022 122.409 121.300 0.146 0.000 2.830 486 W HA 0.657 5.316 4.660 -0.001 0.000 0.335 486 W C -0.817 175.832 176.519 0.216 0.000 1.043 486 W CA 0.241 57.654 57.345 0.113 0.000 1.239 486 W CB 1.766 31.309 29.460 0.139 0.000 1.378 486 W HN 0.915 nan 8.180 nan 0.000 0.456 487 A N 2.870 125.541 122.820 -0.248 0.000 1.993 487 A HA 0.243 4.562 4.320 -0.001 0.000 0.202 487 A C 1.210 178.385 177.584 -0.681 0.000 1.461 487 A CA 0.945 52.861 52.037 -0.203 0.000 0.824 487 A CB 0.389 19.337 19.000 -0.086 0.000 1.024 487 A HN 0.646 nan 8.150 nan 0.000 0.507 488 E N -1.473 118.135 120.200 -0.988 0.000 2.617 488 E HA 0.102 4.452 4.350 -0.001 0.000 0.208 488 E C -0.398 175.635 176.600 -0.946 0.000 0.888 488 E CA 0.740 56.602 56.400 -0.896 0.000 1.485 488 E CB 1.086 30.585 29.700 -0.336 0.000 1.482 488 E HN 0.569 nan 8.360 nan 0.000 0.813 489 T N -0.898 113.116 114.554 -0.899 0.000 2.909 489 T HA 0.497 4.847 4.350 -0.001 0.000 0.299 489 T C -0.488 173.873 174.700 -0.565 0.000 1.073 489 T CA -0.903 60.881 62.100 -0.527 0.000 0.999 489 T CB 1.915 70.631 68.868 -0.253 0.000 1.098 489 T HN 0.032 nan 8.240 nan 0.000 0.477 490 L N 1.544 122.664 121.223 -0.172 0.000 2.473 490 L HA 0.669 5.009 4.340 -0.001 0.000 0.268 490 L C 0.190 176.914 176.870 -0.242 0.000 1.215 490 L CA 0.929 55.757 54.840 -0.020 0.000 0.823 490 L CB 1.080 43.183 42.059 0.073 0.000 1.099 490 L HN 1.038 nan 8.230 nan 0.000 0.483 491 S N 4.711 120.220 115.700 -0.318 0.000 2.605 491 S HA 0.692 5.162 4.470 -0.001 0.000 0.279 491 S C -1.560 172.821 174.600 -0.365 0.000 1.166 491 S CA -0.617 57.330 58.200 -0.422 0.000 0.975 491 S CB 0.101 62.903 63.200 -0.663 0.000 1.111 491 S HN 0.942 nan 8.310 nan 0.000 0.465 492 L N 1.985 123.048 121.223 -0.267 0.000 2.643 492 L HA 0.624 4.963 4.340 -0.001 0.000 0.257 492 L C -1.399 175.423 176.870 -0.081 0.000 0.922 492 L CA -0.981 53.772 54.840 -0.146 0.000 0.909 492 L CB 1.873 43.863 42.059 -0.114 0.000 1.424 492 L HN 0.572 nan 8.230 nan 0.000 0.422 493 D N 2.806 123.201 120.400 -0.008 0.000 2.393 493 D HA 0.143 4.783 4.640 -0.001 0.000 0.232 493 D C 1.058 177.417 176.300 0.098 0.000 1.192 493 D CA -0.501 53.523 54.000 0.039 0.000 0.882 493 D CB 2.054 42.878 40.800 0.039 0.000 1.038 493 D HN 0.441 nan 8.370 nan 0.000 0.499 494 V N 2.376 122.393 119.914 0.172 0.000 2.546 494 V HA -0.273 3.847 4.120 -0.001 0.000 0.254 494 V C 1.758 178.017 176.094 0.275 0.000 1.076 494 V CA 1.655 64.150 62.300 0.326 0.000 1.087 494 V CB -0.417 31.679 31.823 0.454 0.000 0.674 494 V HN 0.548 nan 8.190 nan 0.000 0.470 495 D N 0.720 121.233 120.400 0.190 0.000 2.218 495 D HA -0.104 4.535 4.640 -0.001 0.000 0.204 495 D C 2.257 178.646 176.300 0.148 0.000 0.976 495 D CA 1.768 55.867 54.000 0.165 0.000 0.853 495 D CB -0.054 40.819 40.800 0.121 0.000 0.939 495 D HN 0.670 nan 8.370 nan 0.000 0.481 496 S N -0.142 115.624 115.700 0.111 0.000 2.593 496 S HA 0.091 4.561 4.470 -0.001 0.000 0.217 496 S C 1.012 175.644 174.600 0.054 0.000 0.966 496 S CA -0.302 57.952 58.200 0.090 0.000 0.914 496 S CB -0.039 63.178 63.200 0.028 0.000 0.776 496 S HN 0.102 nan 8.310 nan 0.000 0.523 497 I N 3.351 123.926 120.570 0.008 0.000 2.396 497 I HA 0.228 4.398 4.170 -0.001 0.000 0.289 497 I C -0.327 175.644 176.117 -0.244 0.000 1.056 497 I CA -0.500 60.649 61.300 -0.252 0.000 1.365 497 I CB 0.333 38.020 38.000 -0.521 0.000 1.407 497 I HN 0.130 nan 8.210 nan 0.000 0.509 498 H N 5.226 124.006 119.070 -0.483 0.000 2.604 498 H HA 0.276 4.831 4.556 -0.001 0.000 0.306 498 H C -0.753 174.271 175.328 -0.507 0.000 1.075 498 H CA -0.892 54.960 56.048 -0.327 0.000 1.357 498 H CB 0.389 30.054 29.762 -0.161 0.000 1.426 498 H HN 0.436 nan 8.280 nan 0.000 0.470 499 W N 0.872 122.223 121.300 0.086 0.000 2.298 499 W HA 0.364 5.023 4.660 -0.001 0.000 0.358 499 W C 0.687 177.262 176.519 0.094 0.000 1.241 499 W CA -0.860 56.504 57.345 0.032 0.000 1.385 499 W CB 0.718 30.211 29.460 0.055 0.000 1.225 499 W HN 0.361 nan 8.180 nan 0.000 0.654 500 S N 1.291 117.214 115.700 0.371 0.000 2.481 500 S HA 0.434 4.903 4.470 -0.001 0.000 0.276 500 S C 0.649 175.419 174.600 0.283 0.000 1.247 500 S CA 0.515 58.922 58.200 0.345 0.000 1.053 500 S CB -0.124 63.203 63.200 0.211 0.000 0.925 500 S HN 1.086 nan 8.310 nan 0.000 0.491 501 R N 3.879 124.547 120.500 0.279 0.000 3.390 501 R HA -0.154 4.185 4.340 -0.001 0.000 0.280 501 R C 0.395 176.796 176.300 0.169 0.000 1.126 501 R CA 0.957 57.154 56.100 0.163 0.000 0.757 501 R CB -3.376 26.979 30.300 0.092 0.000 1.296 501 R HN 0.993 nan 8.270 nan 0.000 0.431 502 N N -1.472 117.366 118.700 0.231 0.000 2.608 502 N HA -0.170 4.570 4.740 -0.001 0.000 0.246 502 N C -0.124 175.502 175.510 0.193 0.000 1.162 502 N CA 1.953 55.127 53.050 0.207 0.000 0.736 502 N CB -0.582 37.978 38.487 0.121 0.000 1.078 502 N HN 1.430 nan 8.380 nan 0.000 0.554 503 S N -0.540 115.277 115.700 0.194 0.000 2.575 503 S HA 0.299 4.768 4.470 -0.001 0.000 0.278 503 S C -0.361 174.191 174.600 -0.080 0.000 1.139 503 S CA -0.631 57.620 58.200 0.084 0.000 0.954 503 S CB 1.983 65.205 63.200 0.037 0.000 1.054 503 S HN 0.100 nan 8.310 nan 0.000 0.483 504 V N 7.321 127.046 119.914 -0.316 0.000 2.479 504 V HA 0.220 4.339 4.120 -0.001 0.000 0.284 504 V C -2.172 173.646 176.094 -0.461 0.000 0.981 504 V CA -0.847 60.906 62.300 -0.911 0.000 1.139 504 V CB -0.253 31.223 31.823 -0.578 0.000 0.947 504 V HN 0.794 nan 8.190 nan 0.000 0.468 505 P HA 0.062 nan 4.420 nan 0.000 0.268 505 P C -0.591 176.770 177.300 0.102 0.000 1.189 505 P CA 0.523 63.548 63.100 -0.125 0.000 0.771 505 P CB 0.213 31.784 31.700 -0.216 0.000 0.822 506 T N 1.142 115.734 114.554 0.064 0.000 2.840 506 T HA 0.431 4.780 4.350 -0.001 0.000 0.287 506 T C -0.424 174.344 174.700 0.115 0.000 0.991 506 T CA -0.379 61.809 62.100 0.148 0.000 0.964 506 T CB 0.712 69.628 68.868 0.081 0.000 0.954 506 T HN 0.153 nan 8.240 nan 0.000 0.438 507 S N 3.584 119.428 115.700 0.240 0.000 2.279 507 S HA 0.353 4.823 4.470 -0.001 0.000 0.176 507 S C -0.790 173.991 174.600 0.300 0.000 1.554 507 S CA -0.564 57.740 58.200 0.174 0.000 1.242 507 S CB 0.101 63.287 63.200 -0.022 0.000 1.163 507 S HN 0.672 nan 8.310 nan 0.000 0.449 508 Q N 0.749 120.697 119.800 0.246 0.000 2.433 508 Q HA 0.382 4.721 4.340 -0.001 0.000 0.279 508 Q C 0.746 176.706 176.000 -0.066 0.000 1.105 508 Q CA -0.818 55.108 55.803 0.206 0.000 0.815 508 Q CB 1.469 30.351 28.738 0.240 0.000 1.403 508 Q HN 0.551 nan 8.270 nan 0.000 0.435 509 c N 0.767 119.117 118.600 -0.417 0.000 2.432 509 c HA -0.012 4.557 4.570 -0.001 0.000 0.277 509 c C 0.768 174.355 174.090 -0.838 0.000 1.249 509 c CA 0.807 56.455 56.329 -1.135 0.000 1.725 509 c CB -0.150 41.776 42.510 -0.975 0.000 2.028 509 c HN 0.718 nan 8.230 nan 0.000 0.477 510 S N -0.016 115.072 115.700 -1.020 0.000 2.599 510 S HA 0.457 4.926 4.470 -0.001 0.000 0.294 510 S C -1.277 172.916 174.600 -0.679 0.000 1.094 510 S CA -0.507 57.078 58.200 -1.025 0.000 0.931 510 S CB 1.592 63.845 63.200 -1.577 0.000 1.093 510 S HN 0.461 nan 8.310 nan 0.000 0.488 511 D N 3.236 123.428 120.400 -0.346 0.000 2.399 511 D HA 0.247 4.886 4.640 -0.001 0.000 0.241 511 D C -2.056 174.345 176.300 0.169 0.000 1.133 511 D CA -0.458 53.504 54.000 -0.063 0.000 0.890 511 D CB 0.137 40.908 40.800 -0.049 0.000 1.201 511 D HN 0.186 nan 8.370 nan 0.000 0.432 512 P HA 0.026 nan 4.420 nan 0.000 0.271 512 P C -0.430 176.989 177.300 0.199 0.000 1.218 512 P CA -0.447 62.828 63.100 0.291 0.000 0.780 512 P CB 0.559 32.350 31.700 0.151 0.000 0.901 513 c N 2.100 120.806 118.600 0.177 0.000 2.652 513 c HA 0.424 4.994 4.570 -0.001 0.000 0.412 513 c C 1.442 175.550 174.090 0.030 0.000 1.294 513 c CA -0.205 56.181 56.329 0.096 0.000 2.127 513 c CB -0.108 42.428 42.510 0.044 0.000 2.691 513 c HN 0.670 nan 8.230 nan 0.000 0.615 514 A N 5.630 128.462 122.820 0.019 0.000 2.483 514 A HA 0.366 4.686 4.320 -0.001 0.000 0.238 514 A C -0.665 176.907 177.584 -0.020 0.000 1.070 514 A CA -0.520 51.518 52.037 0.001 0.000 0.770 514 A CB -0.057 18.943 19.000 -0.001 0.000 1.008 514 A HN 0.783 nan 8.150 nan 0.000 0.497 515 P HA -0.139 nan 4.420 nan 0.000 0.209 515 P C 0.779 178.058 177.300 -0.036 0.000 1.203 515 P CA 0.991 64.070 63.100 -0.035 0.000 0.916 515 P CB -0.211 31.474 31.700 -0.025 0.000 0.763 516 N N 0.932 119.619 118.700 -0.022 0.000 2.344 516 N HA -0.221 4.519 4.740 -0.001 0.000 0.202 516 N C 0.562 176.048 175.510 -0.040 0.000 0.976 516 N CA 2.174 55.213 53.050 -0.019 0.000 0.929 516 N CB -0.244 38.239 38.487 -0.005 0.000 0.994 516 N HN 0.494 nan 8.380 nan 0.000 0.478 517 E N -2.933 117.236 120.200 -0.052 0.000 2.228 517 E HA 0.157 4.506 4.350 -0.001 0.000 0.170 517 E C -0.058 176.494 176.600 -0.079 0.000 0.895 517 E CA -0.014 56.340 56.400 -0.077 0.000 1.342 517 E CB -0.556 29.096 29.700 -0.080 0.000 2.091 517 E HN 0.087 nan 8.360 nan 0.000 0.754 518 M N 2.027 121.591 119.600 -0.059 0.000 2.274 518 M HA 0.436 4.916 4.480 -0.001 0.000 0.344 518 M C 0.091 176.350 176.300 -0.068 0.000 1.161 518 M CA -0.425 54.846 55.300 -0.049 0.000 1.126 518 M CB 1.134 33.725 32.600 -0.014 0.000 1.522 518 M HN 0.022 nan 8.290 nan 0.000 0.461 519 K N 1.342 121.708 120.400 -0.057 0.000 2.203 519 K HA 0.409 4.728 4.320 -0.001 0.000 0.251 519 K C -0.796 175.789 176.600 -0.024 0.000 0.944 519 K CA -0.896 55.349 56.287 -0.069 0.000 0.829 519 K CB 1.561 34.027 32.500 -0.057 0.000 1.125 519 K HN 0.499 nan 8.250 nan 0.000 0.430 520 N N 2.886 121.549 118.700 -0.061 0.000 2.488 520 N HA 0.147 4.886 4.740 -0.001 0.000 0.274 520 N C -1.059 174.534 175.510 0.139 0.000 1.111 520 N CA -0.076 52.955 53.050 -0.032 0.000 0.974 520 N CB 0.581 38.920 38.487 -0.245 0.000 1.089 520 N HN 0.555 nan 8.380 nan 0.000 0.465 521 M N 3.073 122.778 119.600 0.175 0.000 2.142 521 M HA 0.208 4.687 4.480 -0.001 0.000 0.299 521 M C -0.709 175.701 176.300 0.184 0.000 0.960 521 M CA -0.670 54.718 55.300 0.148 0.000 0.920 521 M CB 1.682 34.345 32.600 0.104 0.000 1.541 521 M HN 0.297 nan 8.290 nan 0.000 0.429 522 Q N 4.421 124.283 119.800 0.104 0.000 2.314 522 Q HA 0.361 4.701 4.340 -0.001 0.000 0.257 522 Q C -1.601 174.431 176.000 0.054 0.000 0.975 522 Q CA -1.226 54.638 55.803 0.100 0.000 0.933 522 Q CB 1.217 29.962 28.738 0.011 0.000 1.195 522 Q HN 0.496 nan 8.270 nan 0.000 0.426 523 P HA 0.005 nan 4.420 nan 0.000 0.224 523 P C 0.661 177.970 177.300 0.015 0.000 1.190 523 P CA 0.494 63.612 63.100 0.031 0.000 0.644 523 P CB 0.198 31.914 31.700 0.026 0.000 0.895 524 G N -0.563 108.245 108.800 0.013 0.000 2.608 524 G HA2 -0.000 3.959 3.960 -0.001 0.000 0.210 524 G HA3 -0.000 3.959 3.960 -0.001 0.000 0.210 524 G C 0.655 175.562 174.900 0.011 0.000 1.139 524 G CA 0.244 45.348 45.100 0.007 0.000 0.812 524 G HN 0.603 nan 8.290 nan 0.000 0.529 525 D N -0.046 120.368 120.400 0.022 0.000 2.539 525 D HA 0.220 4.860 4.640 -0.001 0.000 0.276 525 D C 0.937 177.263 176.300 0.044 0.000 1.206 525 D CA -0.095 53.923 54.000 0.031 0.000 1.081 525 D CB 1.506 42.329 40.800 0.039 0.000 1.142 525 D HN 0.307 nan 8.370 nan 0.000 0.595 526 V N -3.506 116.441 119.914 0.055 0.000 3.085 526 V HA 0.283 4.402 4.120 -0.001 0.000 0.345 526 V C 0.570 176.735 176.094 0.119 0.000 1.397 526 V CA -0.388 61.951 62.300 0.065 0.000 1.165 526 V CB -0.802 31.042 31.823 0.035 0.000 1.153 526 V HN 0.641 nan 8.190 nan 0.000 0.495 527 c N -1.106 117.581 118.600 0.144 0.000 3.276 527 c HA 0.420 4.990 4.570 -0.001 0.000 0.512 527 c C 1.142 175.353 174.090 0.202 0.000 1.376 527 c CA 0.037 56.481 56.329 0.192 0.000 2.319 527 c CB 0.034 42.636 42.510 0.152 0.000 3.330 527 c HN 0.664 nan 8.230 nan 0.000 0.596 528 c N 1.410 120.057 118.600 0.079 0.000 2.365 528 c HA 0.779 5.349 4.570 -0.001 0.000 0.349 528 c C -0.417 173.759 174.090 0.144 0.000 1.191 528 c CA -0.449 55.822 56.329 -0.097 0.000 2.114 528 c CB -0.299 42.098 42.510 -0.189 0.000 2.367 528 c HN 0.794 nan 8.230 nan 0.000 0.530 529 W N 1.279 122.546 121.300 -0.055 0.000 2.959 529 W HA 0.779 5.438 4.660 -0.001 0.000 0.358 529 W C -1.593 174.908 176.519 -0.029 0.000 1.228 529 W CA -1.265 56.065 57.345 -0.025 0.000 1.183 529 W CB -0.002 29.462 29.460 0.007 0.000 1.467 529 W HN 0.760 nan 8.180 nan 0.000 0.578 530 I N -0.230 120.499 120.570 0.266 0.000 2.846 530 I HA 0.823 4.993 4.170 -0.001 0.000 0.307 530 I C -0.993 175.277 176.117 0.256 0.000 1.053 530 I CA -1.086 60.300 61.300 0.143 0.000 1.050 530 I CB 2.005 40.041 38.000 0.061 0.000 1.239 530 I HN 0.497 nan 8.210 nan 0.000 0.439 531 c N 5.183 123.878 118.600 0.158 0.000 2.281 531 c HA 0.584 5.153 4.570 -0.001 0.000 0.323 531 c C -0.011 174.112 174.090 0.054 0.000 1.270 531 c CA -0.481 55.925 56.329 0.128 0.000 1.559 531 c CB 0.220 42.801 42.510 0.120 0.000 2.239 531 c HN 0.426 nan 8.230 nan 0.000 0.488 532 I N 6.699 127.288 120.570 0.032 0.000 2.330 532 I HA 0.298 4.468 4.170 -0.001 0.000 0.286 532 I C -1.773 174.328 176.117 -0.027 0.000 1.025 532 I CA -2.760 58.540 61.300 0.000 0.000 1.197 532 I CB 0.871 38.867 38.000 -0.005 0.000 1.358 532 I HN 0.371 nan 8.210 nan 0.000 0.467 533 P HA 0.120 nan 4.420 nan 0.000 0.270 533 P C -0.395 176.853 177.300 -0.086 0.000 1.223 533 P CA -0.105 62.962 63.100 -0.054 0.000 0.785 533 P CB 1.180 32.855 31.700 -0.043 0.000 0.923 534 c N 0.924 119.450 118.600 -0.124 0.000 2.505 534 c HA 0.334 4.904 4.570 -0.001 0.000 0.358 534 c C 0.461 174.396 174.090 -0.258 0.000 1.226 534 c CA -0.588 55.630 56.329 -0.184 0.000 1.900 534 c CB 0.892 43.280 42.510 -0.204 0.000 2.306 534 c HN 0.541 nan 8.230 nan 0.000 0.512 535 E N 2.698 122.662 120.200 -0.393 0.000 2.452 535 E HA 0.034 4.383 4.350 -0.001 0.000 0.261 535 E C -1.458 174.754 176.600 -0.647 0.000 0.987 535 E CA -1.171 54.867 56.400 -0.605 0.000 0.926 535 E CB 0.038 29.031 29.700 -1.179 0.000 0.934 535 E HN 0.434 nan 8.360 nan 0.000 0.452 536 P HA -0.182 nan 4.420 nan 0.000 0.222 536 P C 0.666 177.378 177.300 -0.980 0.000 1.142 536 P CA 1.439 64.275 63.100 -0.439 0.000 0.788 536 P CB -0.160 31.515 31.700 -0.042 0.000 0.767 537 Y N -1.551 118.319 120.300 -0.716 0.000 2.524 537 Y HA 0.500 5.050 4.550 -0.001 0.000 0.266 537 Y C 0.332 175.970 175.900 -0.436 0.000 1.180 537 Y CA -1.276 56.339 58.100 -0.808 0.000 1.244 537 Y CB -0.674 37.594 38.460 -0.319 0.000 1.125 537 Y HN -0.115 nan 8.280 nan 0.000 0.524 538 E N 1.052 120.941 120.200 -0.519 0.000 2.221 538 E HA 0.374 4.724 4.350 -0.001 0.000 0.268 538 E C -1.389 175.116 176.600 -0.159 0.000 0.933 538 E CA -1.301 54.942 56.400 -0.262 0.000 0.809 538 E CB 1.816 31.311 29.700 -0.342 0.000 1.190 538 E HN 0.413 nan 8.360 nan 0.000 0.406 539 Y N -0.742 119.429 120.300 -0.215 0.000 2.598 539 Y HA 0.556 5.105 4.550 -0.001 0.000 0.340 539 Y C -1.059 174.762 175.900 -0.131 0.000 1.038 539 Y CA -1.588 56.404 58.100 -0.180 0.000 1.100 539 Y CB 0.630 38.997 38.460 -0.155 0.000 1.281 539 Y HN 0.226 nan 8.280 nan 0.000 0.488 540 L N 3.394 124.491 121.223 -0.210 0.000 2.356 540 L HA 0.213 4.552 4.340 -0.001 0.000 0.282 540 L C 0.867 177.525 176.870 -0.353 0.000 1.132 540 L CA -0.305 54.357 54.840 -0.297 0.000 0.923 540 L CB 0.310 42.273 42.059 -0.160 0.000 1.278 540 L HN 0.898 nan 8.230 nan 0.000 0.436 541 V N 1.433 120.965 119.914 -0.637 0.000 2.546 541 V HA -0.193 3.927 4.120 -0.001 0.000 0.254 541 V C 0.660 176.671 176.094 -0.139 0.000 1.076 541 V CA 1.875 63.946 62.300 -0.381 0.000 1.087 541 V CB -0.841 30.782 31.823 -0.333 0.000 0.674 541 V HN 0.969 nan 8.190 nan 0.000 0.470 542 D N -3.745 116.558 120.400 -0.162 0.000 2.671 542 D HA 0.100 4.739 4.640 -0.001 0.000 0.273 542 D C 0.629 176.780 176.300 -0.249 0.000 1.264 542 D CA -0.354 53.561 54.000 -0.142 0.000 0.788 542 D CB 0.563 41.337 40.800 -0.043 0.000 1.324 542 D HN -0.073 nan 8.370 nan 0.000 0.424 543 E N -0.767 119.162 120.200 -0.451 0.000 2.169 543 E HA -0.221 4.128 4.350 -0.001 0.000 0.202 543 E C 0.412 176.626 176.600 -0.643 0.000 1.016 543 E CA 1.630 57.617 56.400 -0.689 0.000 0.817 543 E CB -0.158 28.885 29.700 -1.095 0.000 0.736 543 E HN 0.523 nan 8.360 nan 0.000 0.462 544 F N -0.750 119.113 119.950 -0.145 0.000 2.654 544 F HA 0.350 4.877 4.527 -0.001 0.000 0.303 544 F C -0.177 175.549 175.800 -0.122 0.000 1.099 544 F CA -0.430 57.489 58.000 -0.134 0.000 1.270 544 F CB 0.557 39.480 39.000 -0.128 0.000 1.024 544 F HN -0.298 nan 8.300 nan 0.000 0.548 545 T N 0.714 115.282 114.554 0.024 0.000 2.937 545 T HA 0.389 4.739 4.350 -0.001 0.000 0.297 545 T C -0.811 173.792 174.700 -0.163 0.000 0.991 545 T CA -0.616 61.456 62.100 -0.046 0.000 0.990 545 T CB 1.239 70.088 68.868 -0.032 0.000 0.991 545 T HN 0.010 nan 8.240 nan 0.000 0.440 546 c N 3.941 122.445 118.600 -0.159 0.000 2.365 546 c HA 0.796 5.366 4.570 -0.001 0.000 0.351 546 c C 0.226 174.178 174.090 -0.229 0.000 1.240 546 c CA -0.655 55.538 56.329 -0.226 0.000 2.062 546 c CB 0.216 42.617 42.510 -0.182 0.000 2.387 546 c HN 0.901 nan 8.230 nan 0.000 0.537 547 M N 2.298 121.711 119.600 -0.311 0.000 2.378 547 M HA 0.272 4.752 4.480 -0.001 0.000 0.289 547 M C -1.303 174.976 176.300 -0.034 0.000 1.136 547 M CA -0.325 54.861 55.300 -0.189 0.000 0.917 547 M CB 1.624 34.071 32.600 -0.255 0.000 1.669 547 M HN 0.724 nan 8.290 nan 0.000 0.461 548 D N 2.234 122.676 120.400 0.070 0.000 2.450 548 D HA 0.059 4.698 4.640 -0.001 0.000 0.247 548 D C 0.642 177.065 176.300 0.204 0.000 1.162 548 D CA 0.142 54.252 54.000 0.184 0.000 0.879 548 D CB 1.009 41.929 40.800 0.201 0.000 1.163 548 D HN 0.684 nan 8.370 nan 0.000 0.472 549 c N 3.578 122.299 118.600 0.202 0.000 2.437 549 c HA 0.292 4.862 4.570 -0.001 0.000 0.283 549 c C 1.360 175.499 174.090 0.082 0.000 1.424 549 c CA 0.909 57.310 56.329 0.119 0.000 1.782 549 c CB -1.805 40.701 42.510 -0.005 0.000 1.833 549 c HN 0.914 nan 8.230 nan 0.000 0.532 550 G N 0.686 109.542 108.800 0.093 0.000 2.756 550 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.678 550 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.678 550 G C -2.714 172.212 174.900 0.043 0.000 1.349 550 G CA -0.669 44.464 45.100 0.054 0.000 0.847 550 G HN 0.164 nan 8.290 nan 0.000 0.548 551 P HA 0.345 nan 4.420 nan 0.000 0.269 551 P C 1.245 178.572 177.300 0.045 0.000 1.209 551 P CA 1.738 64.852 63.100 0.024 0.000 0.776 551 P CB 0.665 32.370 31.700 0.008 0.000 0.876 552 G N 1.403 110.237 108.800 0.057 0.000 2.220 552 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.269 552 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.269 552 G C 0.129 175.089 174.900 0.100 0.000 0.977 552 G CA 0.241 45.381 45.100 0.066 0.000 0.634 552 G HN 0.663 nan 8.290 nan 0.000 0.539 553 Q N -1.491 118.377 119.800 0.113 0.000 2.359 553 Q HA 0.665 5.004 4.340 -0.001 0.000 0.275 553 Q C -0.832 175.289 176.000 0.201 0.000 1.082 553 Q CA -0.956 54.919 55.803 0.120 0.000 0.849 553 Q CB 2.332 31.096 28.738 0.043 0.000 1.377 553 Q HN 0.374 nan 8.270 nan 0.000 0.452 554 W N 2.364 123.535 121.300 -0.214 0.000 3.167 554 W HA 0.364 5.024 4.660 -0.001 0.000 0.324 554 W C -2.930 173.253 176.519 -0.560 0.000 1.230 554 W CA -1.864 55.292 57.345 -0.315 0.000 1.184 554 W CB 1.909 31.175 29.460 -0.323 0.000 1.414 554 W HN 0.436 nan 8.180 nan 0.000 0.551 555 P HA 0.042 nan 4.420 nan 0.000 0.271 555 P C 0.178 177.240 177.300 -0.398 0.000 1.218 555 P CA 0.431 63.254 63.100 -0.461 0.000 0.780 555 P CB 1.148 32.614 31.700 -0.389 0.000 0.901 556 T N -1.212 113.230 114.554 -0.186 0.000 2.860 556 T HA 0.255 4.604 4.350 -0.001 0.000 0.299 556 T C 1.695 176.469 174.700 0.122 0.000 1.045 556 T CA -0.021 62.136 62.100 0.095 0.000 1.071 556 T CB 0.264 69.208 68.868 0.128 0.000 0.985 556 T HN 0.435 nan 8.240 nan 0.000 0.537 557 A N 1.765 124.718 122.820 0.222 0.000 1.997 557 A HA -0.185 4.134 4.320 -0.001 0.000 0.221 557 A C 1.910 179.542 177.584 0.080 0.000 1.172 557 A CA 2.069 54.197 52.037 0.153 0.000 0.645 557 A CB -0.998 18.087 19.000 0.141 0.000 0.813 557 A HN 1.015 nan 8.150 nan 0.000 0.454 558 D N -2.168 118.271 120.400 0.065 0.000 2.339 558 D HA 0.201 4.840 4.640 -0.001 0.000 0.217 558 D C 0.592 176.905 176.300 0.021 0.000 1.050 558 D CA 0.213 54.234 54.000 0.035 0.000 0.856 558 D CB -0.267 40.551 40.800 0.030 0.000 0.922 558 D HN 0.203 nan 8.370 nan 0.000 0.518 559 L N 0.154 121.390 121.223 0.022 0.000 4.696 559 L HA -0.283 4.057 4.340 -0.001 0.000 0.425 559 L C 1.667 178.598 176.870 0.102 0.000 1.115 559 L CA 1.087 55.945 54.840 0.031 0.000 0.996 559 L CB -2.542 39.513 42.059 -0.007 0.000 2.077 559 L HN 0.292 nan 8.230 nan 0.000 0.792 560 S N -2.385 113.358 115.700 0.072 0.000 2.470 560 S HA 0.472 4.942 4.470 -0.001 0.000 0.225 560 S C 1.037 175.702 174.600 0.108 0.000 1.006 560 S CA 0.597 58.855 58.200 0.096 0.000 0.934 560 S CB 0.502 63.726 63.200 0.041 0.000 0.778 560 S HN 0.754 nan 8.310 nan 0.000 0.517 561 G N -0.832 107.936 108.800 -0.053 0.000 2.815 561 G HA2 0.536 4.495 3.960 -0.001 0.000 0.305 561 G HA3 0.536 4.495 3.960 -0.001 0.000 0.305 561 G C -1.685 172.921 174.900 -0.490 0.000 1.277 561 G CA -0.389 44.497 45.100 -0.357 0.000 0.795 561 G HN 0.392 nan 8.290 nan 0.000 0.528 562 c N -0.085 118.240 118.600 -0.459 0.000 2.634 562 c HA 0.852 5.422 4.570 -0.001 0.000 0.313 562 c C -1.117 172.916 174.090 -0.095 0.000 1.198 562 c CA -0.869 55.252 56.329 -0.347 0.000 1.605 562 c CB 0.378 42.662 42.510 -0.376 0.000 2.196 562 c HN 0.744 nan 8.230 nan 0.000 0.486 563 Y N 0.200 120.499 120.300 -0.002 0.000 2.570 563 Y HA 0.600 5.149 4.550 -0.001 0.000 0.345 563 Y C -0.302 175.632 175.900 0.057 0.000 1.014 563 Y CA -1.683 56.431 58.100 0.023 0.000 1.063 563 Y CB 0.273 38.757 38.460 0.040 0.000 1.272 563 Y HN 0.546 nan 8.280 nan 0.000 0.477 564 N N 1.858 120.760 118.700 0.336 0.000 2.508 564 N HA 0.242 4.981 4.740 -0.001 0.000 0.264 564 N C -0.825 174.856 175.510 0.287 0.000 1.216 564 N CA -0.132 53.056 53.050 0.230 0.000 0.943 564 N CB 1.019 39.575 38.487 0.115 0.000 1.113 564 N HN 0.678 nan 8.380 nan 0.000 0.447 565 L N 2.951 124.289 121.223 0.192 0.000 2.334 565 L HA 0.403 4.743 4.340 -0.001 0.000 0.277 565 L C -1.200 175.701 176.870 0.052 0.000 1.075 565 L CA -1.321 53.598 54.840 0.132 0.000 0.804 565 L CB 0.955 43.064 42.059 0.083 0.000 1.174 565 L HN 0.426 nan 8.230 nan 0.000 0.438 566 P HA 0.410 nan 4.420 nan 0.000 0.338 566 P C -0.775 176.515 177.300 -0.017 0.000 1.308 566 P CA -0.328 62.765 63.100 -0.011 0.000 0.753 566 P CB 0.702 32.383 31.700 -0.033 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 56.386 56.400 -0.023 0.000 0.976 567 E CB 0.000 29.681 29.700 -0.031 0.000 0.812 567 E HN 0.000 nan 8.360 nan 0.000 0.440