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 2e4x_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 0.059 0.000 0.893 30 R CA 0.000 56.157 56.100 0.095 0.000 0.921 30 R CB 0.000 30.332 30.300 0.054 0.000 0.687 31 R N 0.968 121.498 120.500 0.051 0.000 2.531 31 R HA 0.480 4.819 4.340 -0.001 0.000 0.273 31 R C -0.434 175.845 176.300 -0.034 0.000 1.070 31 R CA -0.057 55.946 56.100 -0.162 0.000 1.112 31 R CB 1.009 30.963 30.300 -0.576 0.000 1.049 31 R HN 0.500 nan 8.270 nan 0.000 0.508 32 E N 0.986 121.088 120.200 -0.164 0.000 2.392 32 E HA 0.244 4.594 4.350 -0.001 0.000 0.281 32 E C -1.328 175.340 176.600 0.114 0.000 1.088 32 E CA -0.756 55.741 56.400 0.162 0.000 0.850 32 E CB 0.841 30.714 29.700 0.288 0.000 1.267 32 E HN 0.335 nan 8.360 nan 0.000 0.438 33 I N 1.266 122.027 120.570 0.319 0.000 2.339 33 I HA 0.385 4.554 4.170 -0.001 0.000 0.290 33 I C -0.483 175.786 176.117 0.254 0.000 0.994 33 I CA -0.774 60.674 61.300 0.247 0.000 1.191 33 I CB 1.409 39.596 38.000 0.312 0.000 1.343 33 I HN 0.365 nan 8.210 nan 0.000 0.458 34 K N 7.251 127.723 120.400 0.121 0.000 2.559 34 K HA 0.535 4.855 4.320 -0.001 0.000 0.249 34 K C -1.311 175.303 176.600 0.024 0.000 0.958 34 K CA -0.564 55.741 56.287 0.030 0.000 0.901 34 K CB 1.487 33.934 32.500 -0.087 0.000 1.124 34 K HN 0.409 nan 8.250 nan 0.000 0.437 35 I N 2.824 123.419 120.570 0.042 0.000 2.389 35 I HA 0.275 4.444 4.170 -0.001 0.000 0.288 35 I C 0.490 176.616 176.117 0.014 0.000 0.999 35 I CA -0.716 60.602 61.300 0.030 0.000 1.129 35 I CB 1.483 39.511 38.000 0.047 0.000 1.288 35 I HN 0.519 nan 8.210 nan 0.000 0.444 36 E N 3.526 123.727 120.200 0.001 0.000 2.390 36 E HA 0.577 4.927 4.350 -0.001 0.000 0.261 36 E C 0.223 176.823 176.600 -0.001 0.000 1.076 36 E CA -0.144 56.253 56.400 -0.005 0.000 0.905 36 E CB 1.653 31.348 29.700 -0.009 0.000 0.984 36 E HN 0.877 nan 8.360 nan 0.000 0.427 37 G N 0.781 109.580 108.800 -0.002 0.000 2.550 37 G HA2 0.050 4.010 3.960 -0.001 0.000 0.293 37 G HA3 0.050 4.010 3.960 -0.001 0.000 0.293 37 G C -0.315 174.582 174.900 -0.004 0.000 1.402 37 G CA -0.532 44.565 45.100 -0.004 0.000 0.784 37 G HN 0.412 nan 8.290 nan 0.000 0.482 38 D N -1.111 119.285 120.400 -0.006 0.000 2.183 38 D HA 0.025 4.664 4.640 -0.001 0.000 0.203 38 D C 0.288 176.587 176.300 -0.002 0.000 0.969 38 D CA 1.172 55.169 54.000 -0.004 0.000 0.842 38 D CB 0.392 41.189 40.800 -0.005 0.000 0.957 38 D HN -0.028 nan 8.370 nan 0.000 0.484 39 L N 0.187 121.407 121.223 -0.005 0.000 2.422 39 L HA 0.320 4.659 4.340 -0.001 0.000 0.264 39 L C -0.833 176.033 176.870 -0.007 0.000 0.984 39 L CA -0.947 53.890 54.840 -0.005 0.000 0.819 39 L CB 2.671 44.724 42.059 -0.009 0.000 1.330 39 L HN -0.347 nan 8.230 nan 0.000 0.410 40 V N 3.983 123.895 119.914 -0.004 0.000 2.540 40 V HA 0.540 4.660 4.120 -0.001 0.000 0.302 40 V C -0.343 175.740 176.094 -0.019 0.000 1.035 40 V CA -0.714 61.588 62.300 0.003 0.000 0.873 40 V CB 1.969 33.808 31.823 0.027 0.000 0.992 40 V HN 0.469 nan 8.190 nan 0.000 0.428 41 L N 3.824 125.037 121.223 -0.018 0.000 2.295 41 L HA 0.694 5.034 4.340 -0.001 0.000 0.285 41 L C 0.849 177.676 176.870 -0.072 0.000 1.035 41 L CA -0.333 54.471 54.840 -0.060 0.000 0.806 41 L CB 1.594 43.634 42.059 -0.032 0.000 1.214 41 L HN 0.796 nan 8.230 nan 0.000 0.426 42 G N 1.375 110.005 108.800 -0.282 0.000 2.448 42 G HA2 0.600 4.560 3.960 -0.001 0.000 0.285 42 G HA3 0.600 4.560 3.960 -0.001 0.000 0.285 42 G C -0.303 174.470 174.900 -0.212 0.000 1.176 42 G CA -0.246 44.563 45.100 -0.486 0.000 0.852 42 G HN 0.736 nan 8.290 nan 0.000 0.530 43 G N -0.654 108.197 108.800 0.085 0.000 2.612 43 G HA2 0.617 4.576 3.960 -0.001 0.000 0.298 43 G HA3 0.617 4.576 3.960 -0.001 0.000 0.298 43 G C -1.307 173.715 174.900 0.203 0.000 1.336 43 G CA -0.728 44.474 45.100 0.170 0.000 0.953 43 G HN 0.646 nan 8.290 nan 0.000 0.482 44 L N 0.595 121.732 121.223 -0.143 0.000 2.439 44 L HA 0.616 4.955 4.340 -0.001 0.000 0.270 44 L C -1.383 175.232 176.870 -0.425 0.000 0.972 44 L CA -0.529 54.268 54.840 -0.072 0.000 0.836 44 L CB 2.004 44.077 42.059 0.024 0.000 1.255 44 L HN 0.421 nan 8.230 nan 0.000 0.404 45 F N 2.806 122.835 119.950 0.131 0.000 2.599 45 F HA 0.477 5.003 4.527 -0.000 0.000 0.311 45 F C -2.171 173.644 175.800 0.026 0.000 1.076 45 F CA -1.923 56.140 58.000 0.105 0.000 0.937 45 F CB 2.126 41.129 39.000 0.005 0.000 1.282 45 F HN 0.231 nan 8.300 nan 0.000 0.460 46 P HA 0.143 nan 4.420 nan 0.000 0.219 46 P C 0.805 178.130 177.300 0.042 0.000 1.832 46 P CA 0.074 63.261 63.100 0.144 0.000 1.014 46 P CB -0.171 31.684 31.700 0.259 0.000 1.939 47 I N -0.652 119.863 120.570 -0.092 0.000 2.208 47 I HA -0.134 4.035 4.170 -0.001 0.000 0.245 47 I C 1.026 177.050 176.117 -0.154 0.000 1.097 47 I CA 1.302 62.449 61.300 -0.255 0.000 1.363 47 I CB -0.986 36.560 38.000 -0.757 0.000 1.051 47 I HN 0.250 nan 8.210 nan 0.000 0.413 48 N N 0.884 119.510 118.700 -0.124 0.000 2.384 48 N HA 0.222 4.961 4.740 -0.001 0.000 0.301 48 N C -0.143 175.339 175.510 -0.047 0.000 1.133 48 N CA -0.440 52.572 53.050 -0.064 0.000 0.853 48 N CB 2.178 40.628 38.487 -0.061 0.000 1.241 48 N HN 0.010 nan 8.380 nan 0.000 0.502 49 E N 0.640 120.821 120.200 -0.032 0.000 2.369 49 E HA 0.050 4.400 4.350 -0.001 0.000 0.255 49 E C -0.281 176.270 176.600 -0.081 0.000 1.172 49 E CA -0.303 56.076 56.400 -0.034 0.000 0.932 49 E CB 0.652 30.335 29.700 -0.028 0.000 1.040 49 E HN 0.279 nan 8.360 nan 0.000 0.454 50 K N 0.932 121.272 120.400 -0.100 0.000 2.416 50 K HA 0.173 4.493 4.320 -0.001 0.000 0.283 50 K C -0.080 176.460 176.600 -0.099 0.000 1.037 50 K CA 0.082 56.293 56.287 -0.127 0.000 0.995 50 K CB 0.212 32.630 32.500 -0.137 0.000 0.938 50 K HN 0.590 nan 8.250 nan 0.000 0.475 51 G N 2.639 111.375 108.800 -0.107 0.000 2.441 51 G HA2 0.058 4.017 3.960 -0.001 0.000 0.243 51 G HA3 0.058 4.017 3.960 -0.001 0.000 0.243 51 G C -0.180 174.687 174.900 -0.056 0.000 1.281 51 G CA -0.446 44.609 45.100 -0.075 0.000 0.854 51 G HN 0.733 nan 8.290 nan 0.000 0.560 52 T N 0.142 114.671 114.554 -0.042 0.000 2.856 52 T HA 0.589 4.939 4.350 -0.001 0.000 0.292 52 T C 1.338 176.026 174.700 -0.021 0.000 0.980 52 T CA 0.528 62.608 62.100 -0.034 0.000 1.091 52 T CB 1.300 70.148 68.868 -0.034 0.000 0.936 52 T HN 2.146 nan 8.240 nan 0.000 0.503 53 G N 3.339 112.130 108.800 -0.016 0.000 2.602 53 G HA2 -0.410 3.550 3.960 -0.001 0.000 0.310 53 G HA3 -0.410 3.550 3.960 -0.001 0.000 0.310 53 G C 1.193 176.091 174.900 -0.004 0.000 1.183 53 G CA 1.588 46.683 45.100 -0.008 0.000 0.979 53 G HN 1.796 nan 8.290 nan 0.000 0.545 54 T N 0.291 114.845 114.554 -0.000 0.000 2.978 54 T HA 0.245 4.595 4.350 -0.001 0.000 0.262 54 T C 1.114 175.818 174.700 0.007 0.000 1.063 54 T CA 1.502 63.605 62.100 0.006 0.000 1.140 54 T CB -0.342 68.531 68.868 0.008 0.000 0.886 54 T HN 1.132 nan 8.240 nan 0.000 0.470 55 E N 1.303 121.503 120.200 0.000 0.000 2.373 55 E HA 0.203 4.553 4.350 -0.001 0.000 0.267 55 E C 0.415 177.003 176.600 -0.019 0.000 1.032 55 E CA -0.440 55.959 56.400 -0.002 0.000 0.889 55 E CB 0.928 30.625 29.700 -0.004 0.000 0.984 55 E HN 0.369 nan 8.360 nan 0.000 0.425 56 E N 1.272 121.458 120.200 -0.024 0.000 2.170 56 E HA 0.018 4.367 4.350 -0.001 0.000 0.191 56 E C -0.155 176.328 176.600 -0.194 0.000 0.981 56 E CA 0.456 56.808 56.400 -0.080 0.000 0.830 56 E CB 0.315 30.001 29.700 -0.022 0.000 0.775 56 E HN 0.495 nan 8.360 nan 0.000 0.470 57 c N -0.015 118.494 118.600 -0.152 0.000 2.561 57 c HA 0.700 5.270 4.570 -0.001 0.000 0.319 57 c C 0.883 174.933 174.090 -0.068 0.000 1.198 57 c CA -0.933 55.303 56.329 -0.155 0.000 1.665 57 c CB 1.216 43.636 42.510 -0.149 0.000 2.258 57 c HN 0.416 nan 8.230 nan 0.000 0.493 58 G N 1.148 109.913 108.800 -0.058 0.000 3.341 58 G HA2 0.493 4.453 3.960 -0.001 0.000 0.177 58 G HA3 0.493 4.453 3.960 -0.001 0.000 0.177 58 G C -0.357 174.541 174.900 -0.003 0.000 1.236 58 G CA -0.587 44.496 45.100 -0.028 0.000 0.888 58 G HN 0.734 nan 8.290 nan 0.000 0.644 59 R N -0.522 119.974 120.500 -0.006 0.000 2.774 59 R HA 0.216 4.555 4.340 -0.001 0.000 0.269 59 R C -0.007 176.307 176.300 0.023 0.000 1.068 59 R CA -0.368 55.737 56.100 0.009 0.000 1.180 59 R CB 0.394 30.689 30.300 -0.009 0.000 1.077 59 R HN 0.173 nan 8.270 nan 0.000 0.513 60 I N 2.155 122.754 120.570 0.049 0.000 2.529 60 I HA -0.059 4.110 4.170 -0.001 0.000 0.284 60 I C 0.425 176.581 176.117 0.065 0.000 1.082 60 I CA -0.045 61.302 61.300 0.078 0.000 1.406 60 I CB 0.595 38.688 38.000 0.156 0.000 1.405 60 I HN 0.498 nan 8.210 nan 0.000 0.548 61 N N 6.401 125.129 118.700 0.047 0.000 2.602 61 N HA 0.072 4.812 4.740 -0.001 0.000 0.238 61 N C 0.983 176.533 175.510 0.066 0.000 1.084 61 N CA -0.060 53.016 53.050 0.043 0.000 0.952 61 N CB 0.471 38.977 38.487 0.032 0.000 1.244 61 N HN 0.457 nan 8.380 nan 0.000 0.512 62 E N 1.645 121.923 120.200 0.129 0.000 2.049 62 E HA -0.218 4.132 4.350 -0.001 0.000 0.198 62 E C 0.222 176.891 176.600 0.114 0.000 1.007 62 E CA 1.701 58.243 56.400 0.238 0.000 0.809 62 E CB 0.185 30.081 29.700 0.327 0.000 0.749 62 E HN 0.582 nan 8.360 nan 0.000 0.450 63 D N -0.239 120.207 120.400 0.076 0.000 2.154 63 D HA 0.005 4.644 4.640 -0.001 0.000 0.211 63 D C 1.857 178.141 176.300 -0.026 0.000 0.977 63 D CA 0.695 54.711 54.000 0.025 0.000 0.869 63 D CB 0.033 40.847 40.800 0.024 0.000 1.022 63 D HN -0.050 nan 8.370 nan 0.000 0.461 64 R N 0.126 120.617 120.500 -0.014 0.000 2.316 64 R HA 0.124 4.463 4.340 -0.001 0.000 0.202 64 R C 1.627 177.940 176.300 0.021 0.000 1.029 64 R CA 0.743 56.840 56.100 -0.007 0.000 1.018 64 R CB 0.158 30.448 30.300 -0.017 0.000 0.888 64 R HN 0.169 nan 8.270 nan 0.000 0.471 65 G N 0.730 109.527 108.800 -0.005 0.000 2.764 65 G HA2 -0.030 3.930 3.960 -0.001 0.000 0.218 65 G HA3 -0.030 3.930 3.960 -0.001 0.000 0.218 65 G C 1.238 176.066 174.900 -0.121 0.000 1.304 65 G CA -0.302 44.787 45.100 -0.018 0.000 0.847 65 G HN -0.058 nan 8.290 nan 0.000 0.610 66 I N 1.198 121.683 120.570 -0.141 0.000 2.179 66 I HA -0.157 4.012 4.170 -0.001 0.000 0.242 66 I C 2.841 178.856 176.117 -0.170 0.000 1.088 66 I CA 1.301 62.480 61.300 -0.201 0.000 1.357 66 I CB -1.048 36.670 38.000 -0.470 0.000 1.051 66 I HN 0.306 nan 8.210 nan 0.000 0.409 67 Q N 0.208 119.890 119.800 -0.198 0.000 2.061 67 Q HA -0.212 4.128 4.340 -0.001 0.000 0.204 67 Q C 2.409 178.263 176.000 -0.243 0.000 0.984 67 Q CA 1.625 57.262 55.803 -0.277 0.000 0.846 67 Q CB -0.094 28.463 28.738 -0.302 0.000 0.902 67 Q HN 0.459 nan 8.270 nan 0.000 0.421 68 R N 0.298 120.631 120.500 -0.278 0.000 2.105 68 R HA -0.110 4.229 4.340 -0.001 0.000 0.239 68 R C 2.383 178.242 176.300 -0.736 0.000 1.135 68 R CA 0.895 56.769 56.100 -0.377 0.000 0.967 68 R CB -0.396 29.801 30.300 -0.173 0.000 0.861 68 R HN 0.302 nan 8.270 nan 0.000 0.442 69 L N 1.139 121.830 121.223 -0.886 0.000 2.056 69 L HA -0.141 4.199 4.340 -0.001 0.000 0.207 69 L C 1.671 178.278 176.870 -0.438 0.000 1.078 69 L CA 1.893 56.037 54.840 -1.160 0.000 0.749 69 L CB -0.353 41.298 42.059 -0.680 0.000 0.901 69 L HN 0.183 nan 8.230 nan 0.000 0.433 70 E N 0.493 120.629 120.200 -0.107 0.000 2.106 70 E HA -0.131 4.218 4.350 -0.001 0.000 0.192 70 E C 2.194 178.951 176.600 0.262 0.000 0.984 70 E CA 1.215 57.756 56.400 0.236 0.000 0.806 70 E CB -0.168 29.855 29.700 0.538 0.000 0.750 70 E HN 0.603 nan 8.360 nan 0.000 0.458 71 A N 1.132 123.957 122.820 0.009 0.000 1.978 71 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 71 A C 2.202 179.787 177.584 0.002 0.000 1.170 71 A CA 1.711 53.619 52.037 -0.214 0.000 0.636 71 A CB -0.489 18.085 19.000 -0.710 0.000 0.810 71 A HN 0.279 nan 8.150 nan 0.000 0.448 72 M N -1.279 118.288 119.600 -0.056 0.000 2.156 72 M HA -0.047 4.433 4.480 -0.001 0.000 0.264 72 M C 1.678 178.010 176.300 0.055 0.000 1.067 72 M CA 1.303 56.636 55.300 0.054 0.000 1.131 72 M CB -0.111 32.575 32.600 0.142 0.000 1.368 72 M HN 0.301 nan 8.290 nan 0.000 0.416 73 L N 0.266 121.516 121.223 0.044 0.000 2.046 73 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 73 L C 2.241 179.089 176.870 -0.036 0.000 1.077 73 L CA 1.829 56.699 54.840 0.051 0.000 0.747 73 L CB -1.577 40.556 42.059 0.124 0.000 0.896 73 L HN 0.413 nan 8.230 nan 0.000 0.432 74 F N 0.498 120.266 119.950 -0.302 0.000 2.046 74 F HA -0.242 4.284 4.527 -0.001 0.000 0.297 74 F C 2.368 178.065 175.800 -0.173 0.000 1.123 74 F CA 1.651 59.338 58.000 -0.522 0.000 1.199 74 F CB -0.678 38.017 39.000 -0.508 0.000 0.972 74 F HN 0.051 nan 8.300 nan 0.000 0.474 75 A N 1.303 124.023 122.820 -0.167 0.000 1.892 75 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 75 A C 2.299 179.776 177.584 -0.178 0.000 1.188 75 A CA 2.088 54.076 52.037 -0.081 0.000 0.631 75 A CB -1.211 17.900 19.000 0.185 0.000 0.822 75 A HN 0.490 nan 8.150 nan 0.000 0.447 76 I N 0.220 120.712 120.570 -0.130 0.000 2.226 76 I HA -0.214 3.955 4.170 -0.001 0.000 0.245 76 I C 1.959 177.992 176.117 -0.140 0.000 1.100 76 I CA 1.766 62.989 61.300 -0.128 0.000 1.374 76 I CB -1.512 36.459 38.000 -0.049 0.000 1.057 76 I HN 0.296 nan 8.210 nan 0.000 0.413 77 D N 0.829 121.140 120.400 -0.149 0.000 2.092 77 D HA -0.175 4.464 4.640 -0.001 0.000 0.193 77 D C 2.134 178.350 176.300 -0.140 0.000 0.994 77 D CA 1.118 55.044 54.000 -0.123 0.000 0.828 77 D CB -0.124 40.609 40.800 -0.112 0.000 0.963 77 D HN 0.280 nan 8.370 nan 0.000 0.450 78 E N 0.594 120.655 120.200 -0.232 0.000 2.033 78 E HA -0.166 4.183 4.350 -0.001 0.000 0.199 78 E C 2.544 179.113 176.600 -0.051 0.000 1.011 78 E CA 0.542 56.879 56.400 -0.106 0.000 0.815 78 E CB -0.560 29.128 29.700 -0.021 0.000 0.755 78 E HN 0.410 nan 8.360 nan 0.000 0.451 79 I N 1.790 122.272 120.570 -0.147 0.000 2.248 79 I HA -0.286 3.883 4.170 -0.001 0.000 0.248 79 I C 1.781 177.810 176.117 -0.146 0.000 1.107 79 I CA 0.998 62.161 61.300 -0.227 0.000 1.373 79 I CB -0.415 37.335 38.000 -0.416 0.000 1.055 79 I HN 0.037 nan 8.210 nan 0.000 0.418 80 N N 0.905 119.535 118.700 -0.117 0.000 2.494 80 N HA -0.080 4.660 4.740 -0.001 0.000 0.182 80 N C 1.442 176.914 175.510 -0.064 0.000 1.076 80 N CA 0.879 53.879 53.050 -0.083 0.000 0.908 80 N CB 0.048 38.496 38.487 -0.064 0.000 0.967 80 N HN 0.474 nan 8.380 nan 0.000 0.449 81 K N -0.154 120.214 120.400 -0.054 0.000 2.352 81 K HA 0.048 4.367 4.320 -0.001 0.000 0.194 81 K C 0.041 176.610 176.600 -0.052 0.000 1.038 81 K CA -0.131 56.133 56.287 -0.038 0.000 1.023 81 K CB 0.528 33.023 32.500 -0.009 0.000 0.840 81 K HN -0.024 nan 8.250 nan 0.000 0.519 82 D N 1.585 121.950 120.400 -0.059 0.000 2.338 82 D HA 0.016 4.655 4.640 -0.001 0.000 0.255 82 D C 0.151 176.359 176.300 -0.153 0.000 1.237 82 D CA 0.160 54.117 54.000 -0.072 0.000 0.883 82 D CB 0.558 41.336 40.800 -0.037 0.000 1.087 82 D HN -0.012 nan 8.370 nan 0.000 0.485 83 N N 3.043 121.578 118.700 -0.276 0.000 2.461 83 N HA -0.076 4.663 4.740 -0.001 0.000 0.188 83 N C 0.375 175.544 175.510 -0.568 0.000 1.134 83 N CA 0.338 53.127 53.050 -0.435 0.000 0.878 83 N CB 0.295 38.443 38.487 -0.565 0.000 0.972 83 N HN 0.594 nan 8.380 nan 0.000 0.456 84 Y N -0.622 119.630 120.300 -0.081 0.000 2.453 84 Y HA 0.277 4.826 4.550 -0.001 0.000 0.247 84 Y C 0.112 175.835 175.900 -0.295 0.000 1.124 84 Y CA -0.567 57.466 58.100 -0.111 0.000 1.243 84 Y CB 0.995 39.412 38.460 -0.072 0.000 1.213 84 Y HN -0.097 nan 8.280 nan 0.000 0.523 85 L N 0.880 121.968 121.223 -0.223 0.000 2.342 85 L HA 0.449 4.789 4.340 -0.001 0.000 0.276 85 L C -0.432 176.263 176.870 -0.290 0.000 0.997 85 L CA -1.188 53.374 54.840 -0.463 0.000 0.838 85 L CB 1.046 42.886 42.059 -0.366 0.000 1.224 85 L HN 0.087 nan 8.230 nan 0.000 0.416 86 L N 5.668 126.782 121.223 -0.182 0.000 3.660 86 L HA -0.126 4.214 4.340 -0.001 0.000 0.440 86 L C -2.121 174.749 176.870 -0.000 0.000 1.262 86 L CA 0.509 55.383 54.840 0.055 0.000 0.837 86 L CB -1.698 40.341 42.059 -0.033 0.000 1.689 86 L HN 0.563 nan 8.230 nan 0.000 0.890 87 P HA 0.357 nan 4.420 nan 0.000 0.276 87 P C 1.156 178.456 177.300 -0.001 0.000 1.230 87 P CA 1.071 64.153 63.100 -0.030 0.000 0.776 87 P CB 1.376 33.050 31.700 -0.043 0.000 0.888 88 G N 1.568 110.357 108.800 -0.018 0.000 2.225 88 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.254 88 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.254 88 G C -0.170 174.727 174.900 -0.005 0.000 0.988 88 G CA 0.040 45.135 45.100 -0.008 0.000 0.625 88 G HN 0.565 nan 8.290 nan 0.000 0.527 89 V N 1.574 121.485 119.914 -0.005 0.000 2.376 89 V HA 0.485 4.605 4.120 -0.001 0.000 0.287 89 V C 0.328 176.409 176.094 -0.021 0.000 1.015 89 V CA -0.806 61.490 62.300 -0.007 0.000 0.834 89 V CB 1.645 33.471 31.823 0.005 0.000 1.001 89 V HN 0.382 nan 8.190 nan 0.000 0.428 90 K N 5.401 125.788 120.400 -0.022 0.000 2.258 90 K HA 0.535 4.855 4.320 -0.001 0.000 0.284 90 K C -0.792 175.791 176.600 -0.028 0.000 1.051 90 K CA -0.508 55.762 56.287 -0.029 0.000 0.923 90 K CB 0.813 33.300 32.500 -0.021 0.000 1.046 90 K HN 0.581 nan 8.250 nan 0.000 0.474 91 L N 3.566 124.765 121.223 -0.040 0.000 2.326 91 L HA 0.376 4.716 4.340 -0.001 0.000 0.278 91 L C 0.789 177.648 176.870 -0.019 0.000 1.092 91 L CA -0.466 54.352 54.840 -0.036 0.000 0.810 91 L CB 1.492 43.514 42.059 -0.061 0.000 1.153 91 L HN 0.862 nan 8.230 nan 0.000 0.439 92 G N 1.872 110.670 108.800 -0.004 0.000 2.820 92 G HA2 0.723 4.683 3.960 -0.001 0.000 0.291 92 G HA3 0.723 4.683 3.960 -0.001 0.000 0.291 92 G C -0.944 173.979 174.900 0.039 0.000 1.323 92 G CA -0.390 44.720 45.100 0.016 0.000 1.055 92 G HN 0.549 nan 8.290 nan 0.000 0.520 93 V N -3.434 116.524 119.914 0.073 0.000 3.147 93 V HA 0.733 4.853 4.120 -0.001 0.000 0.306 93 V C -1.348 174.877 176.094 0.219 0.000 1.209 93 V CA -0.994 61.384 62.300 0.131 0.000 1.023 93 V CB 1.761 33.674 31.823 0.150 0.000 1.059 93 V HN 1.055 nan 8.190 nan 0.000 0.435 94 H N 2.672 121.836 119.070 0.157 0.000 2.917 94 H HA 0.624 5.180 4.556 -0.001 0.000 0.279 94 H C -1.254 174.287 175.328 0.354 0.000 1.211 94 H CA -0.752 55.445 56.048 0.248 0.000 1.534 94 H CB 1.083 31.024 29.762 0.299 0.000 1.581 94 H HN 0.746 nan 8.280 nan 0.000 0.510 95 I N 5.978 126.846 120.570 0.496 0.000 2.353 95 I HA 0.246 4.416 4.170 -0.001 0.000 0.293 95 I C -0.496 175.915 176.117 0.490 0.000 0.992 95 I CA -0.533 61.053 61.300 0.477 0.000 1.268 95 I CB 1.508 39.792 38.000 0.473 0.000 1.387 95 I HN 0.353 nan 8.210 nan 0.000 0.478 96 L N 4.468 125.930 121.223 0.399 0.000 2.354 96 L HA 0.495 4.834 4.340 -0.001 0.000 0.264 96 L C -0.577 176.438 176.870 0.241 0.000 1.008 96 L CA -0.910 54.126 54.840 0.327 0.000 0.819 96 L CB 2.060 44.176 42.059 0.095 0.000 1.339 96 L HN 0.466 nan 8.230 nan 0.000 0.420 97 D N -0.064 120.473 120.400 0.230 0.000 2.255 97 D HA 0.190 4.829 4.640 -0.001 0.000 0.249 97 D C 0.713 177.155 176.300 0.236 0.000 1.078 97 D CA -0.122 53.920 54.000 0.069 0.000 0.896 97 D CB 1.794 42.620 40.800 0.043 0.000 1.194 97 D HN 0.662 nan 8.370 nan 0.000 0.429 98 T N -1.025 113.626 114.554 0.163 0.000 3.023 98 T HA 0.050 4.399 4.350 -0.001 0.000 0.253 98 T C 1.279 176.046 174.700 0.112 0.000 1.038 98 T CA 0.013 62.252 62.100 0.231 0.000 0.962 98 T CB -0.836 68.122 68.868 0.150 0.000 1.018 98 T HN 0.548 nan 8.240 nan 0.000 0.521 99 c N 1.874 120.433 118.600 -0.068 0.000 4.185 99 c HA -0.197 4.372 4.570 -0.001 0.000 0.297 99 c C 1.376 175.365 174.090 -0.169 0.000 1.463 99 c CA 0.399 56.591 56.329 -0.229 0.000 2.032 99 c CB -3.254 38.885 42.510 -0.620 0.000 1.282 99 c HN 0.862 nan 8.230 nan 0.000 0.770 100 S N -1.683 113.968 115.700 -0.083 0.000 3.521 100 S HA -0.230 4.239 4.470 -0.001 0.000 0.328 100 S C 0.091 174.486 174.600 -0.342 0.000 1.165 100 S CA 1.685 59.746 58.200 -0.232 0.000 0.941 100 S CB -0.704 62.328 63.200 -0.280 0.000 0.951 100 S HN 0.877 nan 8.310 nan 0.000 0.539 101 R N 0.415 120.828 120.500 -0.144 0.000 2.502 101 R HA 0.241 4.581 4.340 -0.001 0.000 0.300 101 R C 0.557 176.863 176.300 0.010 0.000 0.984 101 R CA -0.424 55.621 56.100 -0.091 0.000 0.882 101 R CB 1.166 31.439 30.300 -0.044 0.000 1.180 101 R HN 0.220 nan 8.270 nan 0.000 0.444 102 D N 1.291 121.679 120.400 -0.020 0.000 2.133 102 D HA -0.260 4.380 4.640 -0.001 0.000 0.192 102 D C 1.514 177.831 176.300 0.028 0.000 1.001 102 D CA 2.473 56.478 54.000 0.009 0.000 0.844 102 D CB -0.496 40.301 40.800 -0.004 0.000 0.944 102 D HN 0.585 nan 8.370 nan 0.000 0.447 103 T N -2.995 111.579 114.554 0.033 0.000 2.788 103 T HA -0.238 4.112 4.350 -0.001 0.000 0.268 103 T C 2.082 176.805 174.700 0.038 0.000 1.044 103 T CA 1.107 63.224 62.100 0.030 0.000 1.139 103 T CB -1.047 67.840 68.868 0.033 0.000 0.867 103 T HN 0.290 nan 8.240 nan 0.000 0.454 104 Y N 2.152 122.433 120.300 -0.031 0.000 2.200 104 Y HA 0.210 4.760 4.550 -0.001 0.000 0.290 104 Y C 2.815 178.695 175.900 -0.033 0.000 1.137 104 Y CA 0.897 58.980 58.100 -0.027 0.000 1.163 104 Y CB -0.770 37.677 38.460 -0.022 0.000 0.988 104 Y HN 0.299 nan 8.280 nan 0.000 0.518 105 A N 0.287 123.175 122.820 0.113 0.000 1.933 105 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 105 A C 2.335 179.877 177.584 -0.069 0.000 1.175 105 A CA 1.678 53.737 52.037 0.037 0.000 0.628 105 A CB -1.095 17.945 19.000 0.067 0.000 0.814 105 A HN 0.607 nan 8.150 nan 0.000 0.444 106 L N -0.757 120.431 121.223 -0.059 0.000 2.056 106 L HA -0.174 4.166 4.340 -0.001 0.000 0.207 106 L C 2.481 179.268 176.870 -0.137 0.000 1.078 106 L CA 1.935 56.732 54.840 -0.072 0.000 0.749 106 L CB -0.403 41.636 42.059 -0.034 0.000 0.901 106 L HN 0.508 nan 8.230 nan 0.000 0.433 107 E N -0.879 119.212 120.200 -0.181 0.000 2.106 107 E HA -0.238 4.111 4.350 -0.001 0.000 0.192 107 E C 2.201 178.626 176.600 -0.291 0.000 0.984 107 E CA 0.857 57.125 56.400 -0.220 0.000 0.806 107 E CB 0.122 29.675 29.700 -0.246 0.000 0.750 107 E HN 0.474 nan 8.360 nan 0.000 0.458 108 Q N 0.158 119.739 119.800 -0.365 0.000 2.050 108 Q HA -0.098 4.242 4.340 -0.001 0.000 0.202 108 Q C 2.378 178.063 176.000 -0.525 0.000 0.980 108 Q CA 1.170 56.734 55.803 -0.399 0.000 0.840 108 Q CB -0.386 28.154 28.738 -0.330 0.000 0.898 108 Q HN 0.149 nan 8.270 nan 0.000 0.424 109 S N 1.252 116.670 115.700 -0.469 0.000 2.419 109 S HA -0.117 4.353 4.470 -0.001 0.000 0.235 109 S C 1.825 176.156 174.600 -0.448 0.000 1.019 109 S CA 0.538 58.399 58.200 -0.566 0.000 0.982 109 S CB -0.166 62.939 63.200 -0.158 0.000 0.789 109 S HN 0.183 nan 8.310 nan 0.000 0.490 110 L N 1.651 122.688 121.223 -0.310 0.000 2.189 110 L HA -0.097 4.243 4.340 -0.001 0.000 0.214 110 L C 2.278 178.995 176.870 -0.256 0.000 1.097 110 L CA 1.541 56.239 54.840 -0.238 0.000 0.764 110 L CB -1.236 40.720 42.059 -0.171 0.000 0.900 110 L HN 0.252 nan 8.230 nan 0.000 0.436 111 E N -1.141 118.847 120.200 -0.352 0.000 2.204 111 E HA -0.169 4.180 4.350 -0.001 0.000 0.194 111 E C 2.151 178.679 176.600 -0.119 0.000 0.989 111 E CA 0.991 57.234 56.400 -0.261 0.000 0.824 111 E CB -0.157 29.322 29.700 -0.370 0.000 0.756 111 E HN 0.540 nan 8.360 nan 0.000 0.477 112 F N -1.033 118.847 119.950 -0.117 0.000 2.293 112 F HA -0.089 4.438 4.527 -0.001 0.000 0.297 112 F C 2.108 177.808 175.800 -0.166 0.000 1.089 112 F CA 0.460 58.402 58.000 -0.096 0.000 1.377 112 F CB 0.121 39.059 39.000 -0.102 0.000 1.051 112 F HN 0.049 nan 8.300 nan 0.000 0.511 113 V N -1.777 118.045 119.914 -0.155 0.000 2.825 113 V HA 0.025 4.144 4.120 -0.001 0.000 0.246 113 V C 1.985 177.904 176.094 -0.292 0.000 1.068 113 V CA 0.650 62.668 62.300 -0.470 0.000 1.088 113 V CB -0.600 30.461 31.823 -1.271 0.000 0.733 113 V HN 0.149 nan 8.190 nan 0.000 0.468 114 R N 1.251 121.647 120.500 -0.173 0.000 2.159 114 R HA -0.018 4.321 4.340 -0.001 0.000 0.237 114 R C 2.529 178.815 176.300 -0.023 0.000 1.131 114 R CA 1.455 57.509 56.100 -0.076 0.000 0.982 114 R CB -0.709 29.561 30.300 -0.049 0.000 0.868 114 R HN 0.640 nan 8.270 nan 0.000 0.453 115 A N 1.589 124.408 122.820 -0.002 0.000 1.859 115 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 115 A C 1.831 179.433 177.584 0.030 0.000 1.198 115 A CA 1.984 54.044 52.037 0.039 0.000 0.629 115 A CB -0.670 18.385 19.000 0.091 0.000 0.830 115 A HN 0.423 nan 8.150 nan 0.000 0.446 116 S N -0.886 114.828 115.700 0.023 0.000 3.110 116 S HA 0.404 4.873 4.470 -0.001 0.000 0.253 116 S C -0.025 174.614 174.600 0.065 0.000 1.074 116 S CA 0.029 58.260 58.200 0.051 0.000 1.201 116 S CB -0.862 62.385 63.200 0.079 0.000 0.889 116 S HN 0.181 nan 8.310 nan 0.000 0.490 139 P HA 0.413 nan 4.420 nan 0.000 0.287 139 P C -0.644 176.663 177.300 0.011 0.000 1.281 139 P CA 0.092 63.198 63.100 0.011 0.000 0.781 139 P CB 1.169 32.886 31.700 0.029 0.000 0.903 140 L N 3.458 124.686 121.223 0.009 0.000 2.305 140 L HA 0.253 4.593 4.340 -0.001 0.000 0.281 140 L C 0.780 177.695 176.870 0.074 0.000 1.085 140 L CA -1.223 53.630 54.840 0.022 0.000 0.813 140 L CB 0.855 42.903 42.059 -0.017 0.000 1.157 140 L HN 0.306 nan 8.230 nan 0.000 0.436 141 L N 4.869 126.121 121.223 0.048 0.000 2.410 141 L HA 0.215 4.555 4.340 -0.001 0.000 0.273 141 L C -0.237 176.659 176.870 0.043 0.000 1.152 141 L CA 0.457 55.326 54.840 0.047 0.000 0.855 141 L CB 0.255 42.333 42.059 0.032 0.000 1.129 141 L HN 0.281 nan 8.230 nan 0.000 0.463 142 I N 5.800 126.392 120.570 0.037 0.000 2.321 142 I HA 0.250 4.420 4.170 -0.001 0.000 0.291 142 I C 1.133 177.233 176.117 -0.028 0.000 0.998 142 I CA -0.190 61.101 61.300 -0.016 0.000 1.227 142 I CB 0.650 38.605 38.000 -0.075 0.000 1.368 142 I HN 0.809 nan 8.210 nan 0.000 0.466 143 A N 5.249 128.046 122.820 -0.038 0.000 1.898 143 A HA 0.429 4.748 4.320 -0.001 0.000 0.214 143 A C 1.052 178.610 177.584 -0.043 0.000 1.183 143 A CA 1.156 53.177 52.037 -0.026 0.000 0.622 143 A CB -0.127 18.857 19.000 -0.028 0.000 0.824 143 A HN 0.825 nan 8.150 nan 0.000 0.444 144 G N -2.750 105.994 108.800 -0.093 0.000 2.601 144 G HA2 0.480 4.440 3.960 -0.001 0.000 0.291 144 G HA3 0.480 4.440 3.960 -0.001 0.000 0.291 144 G C -1.835 172.955 174.900 -0.182 0.000 1.456 144 G CA -0.213 44.822 45.100 -0.108 0.000 0.804 144 G HN 0.390 nan 8.290 nan 0.000 0.499 145 V N 1.597 121.406 119.914 -0.175 0.000 2.444 145 V HA 0.419 4.538 4.120 -0.001 0.000 0.294 145 V C -0.470 175.560 176.094 -0.106 0.000 1.022 145 V CA -0.870 61.290 62.300 -0.234 0.000 0.850 145 V CB 1.512 33.166 31.823 -0.281 0.000 0.992 145 V HN 0.593 nan 8.190 nan 0.000 0.426 146 I N 4.709 125.240 120.570 -0.065 0.000 2.325 146 I HA 0.786 4.955 4.170 -0.001 0.000 0.291 146 I C 0.743 176.849 176.117 -0.019 0.000 1.019 146 I CA 0.450 61.768 61.300 0.031 0.000 1.302 146 I CB 0.484 38.571 38.000 0.145 0.000 1.401 146 I HN 0.852 nan 8.210 nan 0.000 0.485 147 G N 3.423 112.177 108.800 -0.077 0.000 2.353 147 G HA2 0.535 4.494 3.960 -0.001 0.000 0.308 147 G HA3 0.535 4.494 3.960 -0.001 0.000 0.308 147 G C -0.613 174.116 174.900 -0.284 0.000 1.418 147 G CA -0.079 44.877 45.100 -0.241 0.000 0.966 147 G HN 1.071 nan 8.290 nan 0.000 0.638 148 G N -1.086 107.515 108.800 -0.333 0.000 3.435 148 G HA2 0.394 4.354 3.960 -0.001 0.000 0.683 148 G HA3 0.394 4.354 3.960 -0.001 0.000 0.683 148 G C 0.337 175.020 174.900 -0.362 0.000 1.189 148 G CA 0.567 45.549 45.100 -0.197 0.000 1.069 148 G HN 1.563 nan 8.290 nan 0.000 0.508 149 S N 0.787 116.401 115.700 -0.143 0.000 2.433 149 S HA 0.271 4.740 4.470 -0.001 0.000 0.216 149 S C 0.913 175.414 174.600 -0.166 0.000 1.031 149 S CA 0.475 58.599 58.200 -0.126 0.000 0.931 149 S CB -0.082 63.138 63.200 0.032 0.000 0.875 149 S HN 0.559 nan 8.310 nan 0.000 0.553 150 Y N 2.387 122.634 120.300 -0.087 0.000 2.511 150 Y HA 0.118 4.667 4.550 -0.001 0.000 0.332 150 Y C 1.816 177.658 175.900 -0.097 0.000 1.177 150 Y CA -0.097 57.935 58.100 -0.113 0.000 1.422 150 Y CB 0.460 38.872 38.460 -0.079 0.000 1.271 150 Y HN 0.142 nan 8.280 nan 0.000 0.550 151 S N 0.972 116.702 115.700 0.051 0.000 2.383 151 S HA -0.244 4.226 4.470 -0.001 0.000 0.229 151 S C 2.181 176.778 174.600 -0.006 0.000 1.030 151 S CA 1.603 59.814 58.200 0.018 0.000 1.002 151 S CB -0.436 62.827 63.200 0.105 0.000 0.829 151 S HN 0.876 nan 8.310 nan 0.000 0.467 152 S N 1.847 117.585 115.700 0.063 0.000 2.370 152 S HA -0.139 4.331 4.470 -0.001 0.000 0.226 152 S C 2.101 176.698 174.600 -0.005 0.000 1.033 152 S CA 1.379 59.592 58.200 0.023 0.000 1.011 152 S CB -1.052 62.169 63.200 0.035 0.000 0.852 152 S HN 0.529 nan 8.310 nan 0.000 0.457 153 V N 0.526 120.454 119.914 0.024 0.000 2.407 153 V HA -0.030 4.090 4.120 -0.001 0.000 0.245 153 V C 2.204 178.287 176.094 -0.018 0.000 1.041 153 V CA 2.050 64.359 62.300 0.015 0.000 1.040 153 V CB -1.190 30.664 31.823 0.052 0.000 0.671 153 V HN 0.477 nan 8.190 nan 0.000 0.455 154 S N 0.654 116.326 115.700 -0.048 0.000 2.359 154 S HA -0.112 4.357 4.470 -0.001 0.000 0.224 154 S C 1.797 176.262 174.600 -0.226 0.000 1.035 154 S CA 2.268 60.413 58.200 -0.092 0.000 1.018 154 S CB -0.537 62.599 63.200 -0.106 0.000 0.876 154 S HN 0.666 nan 8.310 nan 0.000 0.448 155 I N 1.526 121.908 120.570 -0.312 0.000 2.099 155 I HA -0.247 3.922 4.170 -0.001 0.000 0.239 155 I C 2.794 178.831 176.117 -0.134 0.000 1.066 155 I CA 1.231 62.285 61.300 -0.409 0.000 1.324 155 I CB -0.413 37.394 38.000 -0.322 0.000 1.037 155 I HN 0.269 nan 8.210 nan 0.000 0.401 156 Q N 0.219 119.989 119.800 -0.051 0.000 2.096 156 Q HA -0.171 4.168 4.340 -0.001 0.000 0.204 156 Q C 2.438 178.458 176.000 0.034 0.000 0.982 156 Q CA 1.503 57.313 55.803 0.012 0.000 0.850 156 Q CB -0.618 28.126 28.738 0.009 0.000 0.901 156 Q HN 0.425 nan 8.270 nan 0.000 0.422 157 V N 1.061 120.991 119.914 0.026 0.000 2.515 157 V HA -0.213 3.906 4.120 -0.001 0.000 0.250 157 V C 2.337 178.492 176.094 0.101 0.000 1.058 157 V CA 1.494 63.834 62.300 0.065 0.000 1.064 157 V CB -0.959 30.914 31.823 0.084 0.000 0.675 157 V HN 0.309 nan 8.190 nan 0.000 0.461 158 A N 0.476 123.347 122.820 0.085 0.000 1.898 158 A HA -0.200 4.120 4.320 -0.001 0.000 0.216 158 A C 2.076 179.778 177.584 0.198 0.000 1.181 158 A CA 1.791 53.925 52.037 0.162 0.000 0.620 158 A CB -0.630 18.422 19.000 0.087 0.000 0.819 158 A HN 0.562 nan 8.150 nan 0.000 0.442 159 N N -0.216 118.600 118.700 0.192 0.000 2.137 159 N HA -0.164 4.576 4.740 -0.001 0.000 0.190 159 N C 1.560 177.138 175.510 0.113 0.000 1.017 159 N CA 1.638 54.781 53.050 0.155 0.000 0.859 159 N CB -0.472 38.093 38.487 0.130 0.000 1.002 159 N HN 0.488 nan 8.380 nan 0.000 0.428 160 L N 0.239 121.535 121.223 0.122 0.000 2.084 160 L HA 0.079 4.418 4.340 -0.001 0.000 0.202 160 L C 1.776 178.776 176.870 0.216 0.000 1.074 160 L CA 1.091 56.025 54.840 0.157 0.000 0.757 160 L CB -0.702 41.424 42.059 0.111 0.000 0.918 160 L HN -0.070 nan 8.230 nan 0.000 0.444 161 L N 0.610 121.929 121.223 0.161 0.000 2.187 161 L HA -0.157 4.183 4.340 -0.001 0.000 0.213 161 L C 2.803 179.698 176.870 0.042 0.000 1.100 161 L CA 1.989 56.915 54.840 0.143 0.000 0.765 161 L CB -1.072 41.060 42.059 0.122 0.000 0.904 161 L HN 0.480 nan 8.230 nan 0.000 0.437 162 R N -1.583 118.910 120.500 -0.011 0.000 2.115 162 R HA -0.128 4.212 4.340 -0.001 0.000 0.230 162 R C 1.874 178.001 176.300 -0.288 0.000 1.111 162 R CA 0.952 56.909 56.100 -0.240 0.000 0.976 162 R CB -0.728 29.549 30.300 -0.039 0.000 0.870 162 R HN 0.158 nan 8.270 nan 0.000 0.445 163 L N 0.501 121.649 121.223 -0.126 0.000 2.265 163 L HA -0.046 4.294 4.340 -0.001 0.000 0.215 163 L C 1.051 177.563 176.870 -0.597 0.000 1.117 163 L CA 1.510 56.148 54.840 -0.337 0.000 0.782 163 L CB -0.461 41.386 42.059 -0.353 0.000 0.914 163 L HN 0.169 nan 8.230 nan 0.000 0.441 164 F N -1.307 118.537 119.950 -0.178 0.000 2.698 164 F HA 0.257 4.784 4.527 0.000 0.000 0.304 164 F C 0.688 176.361 175.800 -0.213 0.000 1.108 164 F CA -0.817 57.099 58.000 -0.140 0.000 1.263 164 F CB -0.563 38.398 39.000 -0.065 0.000 1.013 164 F HN 0.003 nan 8.300 nan 0.000 0.532 165 Q N 0.925 120.511 119.800 -0.357 0.000 2.451 165 Q HA -0.206 4.134 4.340 -0.001 0.000 0.305 165 Q C -0.497 175.380 176.000 -0.204 0.000 1.345 165 Q CA 0.533 55.945 55.803 -0.652 0.000 0.854 165 Q CB -1.916 26.734 28.738 -0.147 0.000 1.162 165 Q HN 0.493 nan 8.270 nan 0.000 0.440 166 I N 2.003 122.477 120.570 -0.161 0.000 2.355 166 I HA 0.309 4.478 4.170 -0.001 0.000 0.288 166 I C -1.785 174.410 176.117 0.131 0.000 0.999 166 I CA -2.306 59.018 61.300 0.041 0.000 1.163 166 I CB 1.286 39.303 38.000 0.029 0.000 1.316 166 I HN -0.088 nan 8.210 nan 0.000 0.454 167 P HA 0.027 nan 4.420 nan 0.000 0.271 167 P C -1.223 176.130 177.300 0.088 0.000 1.218 167 P CA -0.169 63.065 63.100 0.223 0.000 0.780 167 P CB 1.052 32.889 31.700 0.228 0.000 0.901 168 Q N 2.132 121.994 119.800 0.103 0.000 2.347 168 Q HA 0.589 4.928 4.340 -0.001 0.000 0.271 168 Q C -1.531 174.417 176.000 -0.088 0.000 1.064 168 Q CA -0.758 55.066 55.803 0.036 0.000 0.800 168 Q CB 1.599 30.432 28.738 0.158 0.000 1.304 168 Q HN 0.384 nan 8.270 nan 0.000 0.438 169 I N 2.282 122.786 120.570 -0.110 0.000 2.439 169 I HA 0.264 4.434 4.170 -0.001 0.000 0.285 169 I C -0.460 175.571 176.117 -0.143 0.000 1.021 169 I CA -0.685 60.525 61.300 -0.149 0.000 1.091 169 I CB 2.034 40.071 38.000 0.061 0.000 1.242 169 I HN 0.464 nan 8.210 nan 0.000 0.439 170 S N 4.647 120.186 115.700 -0.268 0.000 2.525 170 S HA 0.332 4.802 4.470 -0.001 0.000 0.278 170 S C 0.306 174.798 174.600 -0.181 0.000 1.234 170 S CA -0.412 57.649 58.200 -0.232 0.000 1.058 170 S CB 0.520 63.735 63.200 0.024 0.000 0.983 170 S HN 0.520 nan 8.310 nan 0.000 0.495 171 Y N 2.660 123.005 120.300 0.075 0.000 2.493 171 Y HA 0.693 5.243 4.550 -0.000 0.000 0.275 171 Y C 0.921 176.853 175.900 0.054 0.000 1.183 171 Y CA -0.109 58.065 58.100 0.122 0.000 1.258 171 Y CB -0.411 38.158 38.460 0.183 0.000 1.108 171 Y HN 0.631 nan 8.280 nan 0.000 0.521 172 A N -1.162 121.555 122.820 -0.171 0.000 2.604 172 A HA 0.215 4.534 4.320 -0.001 0.000 0.157 172 A C 0.432 177.964 177.584 -0.087 0.000 1.680 172 A CA -0.163 51.830 52.037 -0.074 0.000 1.227 172 A CB -0.570 18.462 19.000 0.053 0.000 1.493 172 A HN 0.087 nan 8.150 nan 0.000 0.453 173 S N 2.165 117.818 115.700 -0.078 0.000 2.481 173 S HA 0.320 4.789 4.470 -0.001 0.000 0.282 173 S C 1.229 175.889 174.600 0.099 0.000 1.243 173 S CA 0.730 58.932 58.200 0.003 0.000 1.078 173 S CB 0.734 63.942 63.200 0.013 0.000 0.916 173 S HN 0.659 nan 8.310 nan 0.000 0.495 174 T N -0.778 113.872 114.554 0.160 0.000 3.054 174 T HA 0.168 4.517 4.350 -0.001 0.000 0.255 174 T C 0.759 175.602 174.700 0.238 0.000 1.035 174 T CA -0.337 61.903 62.100 0.234 0.000 0.941 174 T CB 0.125 69.183 68.868 0.317 0.000 1.026 174 T HN 0.444 nan 8.240 nan 0.000 0.533 175 S N 0.913 116.728 115.700 0.192 0.000 2.558 175 S HA 0.407 4.877 4.470 -0.001 0.000 0.293 175 S C 1.746 176.378 174.600 0.054 0.000 1.292 175 S CA 0.070 58.332 58.200 0.103 0.000 1.063 175 S CB 0.323 63.547 63.200 0.039 0.000 0.831 175 S HN 0.574 nan 8.310 nan 0.000 0.499 176 A N 5.495 128.335 122.820 0.034 0.000 2.019 176 A HA -0.059 4.260 4.320 -0.001 0.000 0.219 176 A C 2.098 179.676 177.584 -0.010 0.000 1.164 176 A CA 1.378 53.431 52.037 0.026 0.000 0.644 176 A CB -0.426 18.574 19.000 0.001 0.000 0.805 176 A HN 0.952 nan 8.150 nan 0.000 0.449 177 K N -0.324 120.064 120.400 -0.020 0.000 2.152 177 K HA -0.085 4.235 4.320 -0.001 0.000 0.206 177 K C 1.546 178.174 176.600 0.046 0.000 1.048 177 K CA 1.289 57.587 56.287 0.019 0.000 0.933 177 K CB -0.406 32.108 32.500 0.023 0.000 0.721 177 K HN 0.497 nan 8.250 nan 0.000 0.447 178 L N 0.905 122.047 121.223 -0.136 0.000 2.353 178 L HA -0.139 4.201 4.340 -0.001 0.000 0.220 178 L C 1.983 178.931 176.870 0.130 0.000 1.133 178 L CA 0.721 55.405 54.840 -0.260 0.000 0.798 178 L CB -0.248 41.488 42.059 -0.538 0.000 0.922 178 L HN 0.079 nan 8.230 nan 0.000 0.445 179 S N -1.376 114.391 115.700 0.112 0.000 2.481 179 S HA -0.111 4.358 4.470 -0.001 0.000 0.231 179 S C 0.807 175.441 174.600 0.057 0.000 0.996 179 S CA 0.329 58.584 58.200 0.091 0.000 0.942 179 S CB -0.337 62.780 63.200 -0.139 0.000 0.768 179 S HN 0.354 nan 8.310 nan 0.000 0.520 180 D N 2.258 122.718 120.400 0.100 0.000 2.398 180 D HA 0.056 4.695 4.640 -0.001 0.000 0.250 180 D C 0.660 177.027 176.300 0.112 0.000 1.287 180 D CA 0.055 54.089 54.000 0.057 0.000 0.992 180 D CB 0.264 41.076 40.800 0.020 0.000 1.071 180 D HN -0.126 nan 8.370 nan 0.000 0.514 181 K N 1.416 121.903 120.400 0.146 0.000 2.589 181 K HA -0.033 4.286 4.320 -0.001 0.000 0.192 181 K C 1.480 178.116 176.600 0.060 0.000 1.029 181 K CA 0.187 56.570 56.287 0.161 0.000 1.031 181 K CB -0.025 32.614 32.500 0.233 0.000 0.821 181 K HN 0.421 nan 8.250 nan 0.000 0.502 182 S N -0.938 114.755 115.700 -0.011 0.000 2.486 182 S HA 0.104 4.574 4.470 -0.001 0.000 0.220 182 S C 1.783 176.301 174.600 -0.137 0.000 1.011 182 S CA -0.114 58.057 58.200 -0.047 0.000 0.921 182 S CB 0.308 63.480 63.200 -0.045 0.000 0.785 182 S HN 0.211 nan 8.310 nan 0.000 0.517 183 R N -0.714 119.612 120.500 -0.291 0.000 2.191 183 R HA 0.290 4.629 4.340 -0.001 0.000 0.196 183 R C -0.119 175.760 176.300 -0.702 0.000 0.991 183 R CA 0.425 56.172 56.100 -0.587 0.000 1.075 183 R CB 0.177 29.921 30.300 -0.926 0.000 1.040 183 R HN 0.478 nan 8.270 nan 0.000 0.526 184 Y N 1.560 121.883 120.300 0.038 0.000 2.602 184 Y HA 0.119 4.669 4.550 0.000 0.000 0.373 184 Y C 0.134 176.097 175.900 0.105 0.000 0.960 184 Y CA -0.983 57.158 58.100 0.069 0.000 1.281 184 Y CB 0.302 38.771 38.460 0.016 0.000 1.308 184 Y HN 0.084 nan 8.280 nan 0.000 0.595 185 D N -1.064 119.410 120.400 0.124 0.000 2.384 185 D HA -0.207 4.432 4.640 -0.001 0.000 0.222 185 D C 0.325 176.370 176.300 -0.426 0.000 0.976 185 D CA 1.086 55.088 54.000 0.004 0.000 0.915 185 D CB -0.220 40.613 40.800 0.055 0.000 0.896 185 D HN 0.430 nan 8.370 nan 0.000 0.523 186 Y N -1.092 118.959 120.300 -0.414 0.000 2.707 186 Y HA 0.297 4.846 4.550 -0.001 0.000 0.249 186 Y C -0.613 175.060 175.900 -0.377 0.000 1.166 186 Y CA -1.166 56.441 58.100 -0.822 0.000 1.184 186 Y CB 0.208 38.471 38.460 -0.328 0.000 1.240 186 Y HN -0.136 nan 8.280 nan 0.000 0.547 187 F N 1.203 121.097 119.950 -0.093 0.000 2.458 187 F HA 0.824 5.350 4.527 -0.001 0.000 0.336 187 F C -0.245 175.707 175.800 0.254 0.000 1.114 187 F CA -0.893 57.188 58.000 0.135 0.000 0.987 187 F CB 0.722 39.797 39.000 0.125 0.000 1.130 187 F HN -0.072 nan 8.300 nan 0.000 0.458 188 A N 6.205 128.637 122.820 -0.647 0.000 2.486 188 A HA 0.977 5.297 4.320 -0.001 0.000 0.289 188 A C -1.287 175.797 177.584 -0.833 0.000 1.176 188 A CA -0.932 50.777 52.037 -0.547 0.000 0.757 188 A CB 1.945 20.553 19.000 -0.654 0.000 1.337 188 A HN 0.898 nan 8.150 nan 0.000 0.423 189 R N -1.081 119.297 120.500 -0.204 0.000 2.634 189 R HA 0.412 4.752 4.340 -0.001 0.000 0.263 189 R C -0.828 175.638 176.300 0.275 0.000 1.060 189 R CA 0.174 56.265 56.100 -0.015 0.000 0.898 189 R CB 0.637 30.958 30.300 0.035 0.000 1.253 189 R HN 0.822 nan 8.270 nan 0.000 0.461 190 T N -1.303 113.384 114.554 0.222 0.000 3.278 190 T HA 0.260 4.609 4.350 -0.001 0.000 0.251 190 T C 0.769 175.474 174.700 0.008 0.000 1.039 190 T CA 0.270 62.488 62.100 0.197 0.000 0.935 190 T CB -0.705 68.356 68.868 0.322 0.000 1.034 190 T HN 0.492 nan 8.240 nan 0.000 0.575 191 V N -2.759 117.105 119.914 -0.083 0.000 3.102 191 V HA 0.872 4.992 4.120 -0.001 0.000 0.312 191 V C -3.119 172.953 176.094 -0.037 0.000 1.135 191 V CA -2.975 59.167 62.300 -0.263 0.000 1.022 191 V CB 2.458 34.040 31.823 -0.401 0.000 1.056 191 V HN -0.062 nan 8.190 nan 0.000 0.436 192 P HA 0.502 nan 4.420 nan 0.000 0.280 192 P C -2.955 174.504 177.300 0.265 0.000 1.272 192 P CA -2.128 61.048 63.100 0.126 0.000 0.819 192 P CB 1.030 32.761 31.700 0.050 0.000 1.122 193 P HA 0.160 nan 4.420 nan 0.000 0.281 193 P C 0.002 177.574 177.300 0.454 0.000 1.249 193 P CA -0.118 63.212 63.100 0.382 0.000 0.810 193 P CB 0.724 32.639 31.700 0.359 0.000 1.008 194 D N 0.612 121.203 120.400 0.318 0.000 2.392 194 D HA -0.085 4.554 4.640 -0.001 0.000 0.228 194 D C 1.278 177.665 176.300 0.145 0.000 1.003 194 D CA 0.536 54.696 54.000 0.265 0.000 0.917 194 D CB -0.634 40.277 40.800 0.184 0.000 0.890 194 D HN 0.348 nan 8.370 nan 0.000 0.532 195 F N 0.524 120.468 119.950 -0.010 0.000 2.202 195 F HA -0.265 4.262 4.527 -0.000 0.000 0.301 195 F C 1.418 177.017 175.800 -0.335 0.000 1.082 195 F CA 1.408 59.272 58.000 -0.227 0.000 1.313 195 F CB -0.304 38.487 39.000 -0.348 0.000 1.024 195 F HN -0.044 nan 8.300 nan 0.000 0.495 196 Y N -0.113 120.125 120.300 -0.103 0.000 2.301 196 Y HA -0.020 4.529 4.550 -0.001 0.000 0.295 196 Y C 2.726 178.263 175.900 -0.606 0.000 1.119 196 Y CA 1.255 59.170 58.100 -0.308 0.000 1.162 196 Y CB -1.130 37.458 38.460 0.213 0.000 1.046 196 Y HN 0.118 nan 8.280 nan 0.000 0.538 197 Q N 0.605 120.213 119.800 -0.320 0.000 2.170 197 Q HA -0.187 4.153 4.340 -0.001 0.000 0.203 197 Q C 2.260 178.017 176.000 -0.404 0.000 0.976 197 Q CA 1.322 56.658 55.803 -0.777 0.000 0.858 197 Q CB -0.164 28.360 28.738 -0.357 0.000 0.907 197 Q HN 0.503 nan 8.270 nan 0.000 0.433 198 A N 0.913 123.626 122.820 -0.178 0.000 1.898 198 A HA -0.175 4.145 4.320 -0.001 0.000 0.216 198 A C 1.917 179.412 177.584 -0.148 0.000 1.181 198 A CA 1.441 53.466 52.037 -0.020 0.000 0.620 198 A CB -0.274 18.697 19.000 -0.049 0.000 0.819 198 A HN 0.288 nan 8.150 nan 0.000 0.442 199 K N -0.239 119.914 120.400 -0.412 0.000 2.026 199 K HA -0.076 4.244 4.320 -0.001 0.000 0.208 199 K C 2.349 178.647 176.600 -0.503 0.000 1.048 199 K CA 1.125 57.160 56.287 -0.421 0.000 0.929 199 K CB -0.372 31.824 32.500 -0.508 0.000 0.713 199 K HN 0.424 nan 8.250 nan 0.000 0.439 200 A N 1.497 123.715 122.820 -1.003 0.000 1.917 200 A HA -0.228 4.092 4.320 -0.001 0.000 0.219 200 A C 2.171 179.555 177.584 -0.334 0.000 1.182 200 A CA 1.869 53.285 52.037 -1.034 0.000 0.633 200 A CB -0.550 17.760 19.000 -1.150 0.000 0.819 200 A HN 0.214 nan 8.150 nan 0.000 0.448 201 M N -0.746 118.728 119.600 -0.210 0.000 2.099 201 M HA -0.112 4.367 4.480 -0.001 0.000 0.262 201 M C 2.586 179.020 176.300 0.224 0.000 1.067 201 M CA 1.430 56.736 55.300 0.011 0.000 1.124 201 M CB -0.473 32.117 32.600 -0.018 0.000 1.353 201 M HN 0.467 nan 8.290 nan 0.000 0.410 202 A N 0.504 123.493 122.820 0.282 0.000 1.883 202 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 202 A C 1.937 179.636 177.584 0.192 0.000 1.186 202 A CA 1.852 54.058 52.037 0.281 0.000 0.624 202 A CB -0.784 18.239 19.000 0.037 0.000 0.822 202 A HN 0.549 nan 8.150 nan 0.000 0.444 203 E N -0.476 119.799 120.200 0.125 0.000 2.204 203 E HA -0.128 4.221 4.350 -0.001 0.000 0.195 203 E C 1.832 178.552 176.600 0.201 0.000 0.990 203 E CA 0.970 57.465 56.400 0.159 0.000 0.821 203 E CB -0.265 29.554 29.700 0.199 0.000 0.750 203 E HN 0.721 nan 8.360 nan 0.000 0.477 204 I N 0.913 121.612 120.570 0.215 0.000 2.252 204 I HA -0.266 3.904 4.170 -0.001 0.000 0.245 204 I C 2.305 178.650 176.117 0.380 0.000 1.102 204 I CA 0.919 62.395 61.300 0.293 0.000 1.385 204 I CB -0.186 37.998 38.000 0.307 0.000 1.064 204 I HN 0.127 nan 8.210 nan 0.000 0.414 205 L N 0.138 121.608 121.223 0.412 0.000 2.017 205 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 205 L C 2.755 179.766 176.870 0.235 0.000 1.073 205 L CA 1.204 56.337 54.840 0.488 0.000 0.745 205 L CB -0.703 41.695 42.059 0.565 0.000 0.894 205 L HN 0.196 nan 8.230 nan 0.000 0.432 206 R N 0.305 120.923 120.500 0.197 0.000 2.127 206 R HA -0.224 4.115 4.340 -0.001 0.000 0.238 206 R C 2.105 178.416 176.300 0.019 0.000 1.134 206 R CA 1.508 57.670 56.100 0.103 0.000 0.975 206 R CB -0.815 29.543 30.300 0.096 0.000 0.865 206 R HN 0.275 nan 8.270 nan 0.000 0.447 207 F N -0.384 119.490 119.950 -0.127 0.000 2.051 207 F HA -0.063 4.464 4.527 -0.001 0.000 0.296 207 F C 1.211 176.714 175.800 -0.495 0.000 1.122 207 F CA 1.527 59.342 58.000 -0.309 0.000 1.201 207 F CB -0.352 38.412 39.000 -0.394 0.000 0.978 207 F HN 0.011 nan 8.300 nan 0.000 0.472 208 F N 1.336 121.030 119.950 -0.426 0.000 2.725 208 F HA 0.108 4.634 4.527 -0.001 0.000 0.303 208 F C 0.637 175.986 175.800 -0.753 0.000 1.167 208 F CA 0.211 57.722 58.000 -0.815 0.000 1.403 208 F CB -1.054 37.057 39.000 -1.481 0.000 1.077 208 F HN 0.040 nan 8.300 nan 0.000 0.537 209 N N -1.242 117.267 118.700 -0.319 0.000 2.725 209 N HA -0.209 4.530 4.740 -0.001 0.000 0.249 209 N C -1.158 174.405 175.510 0.089 0.000 1.103 209 N CA 0.502 53.488 53.050 -0.106 0.000 0.707 209 N CB -1.462 36.962 38.487 -0.103 0.000 1.043 209 N HN 0.281 nan 8.380 nan 0.000 0.553 210 W N 0.551 121.943 121.300 0.153 0.000 2.507 210 W HA 0.265 4.924 4.660 -0.001 0.000 0.334 210 W C 1.189 177.804 176.519 0.159 0.000 1.165 210 W CA -0.289 57.142 57.345 0.145 0.000 1.460 210 W CB -0.531 29.015 29.460 0.143 0.000 1.404 210 W HN -0.020 nan 8.180 nan 0.000 0.435 211 T N 1.212 115.987 114.554 0.368 0.000 3.037 211 T HA -0.078 4.272 4.350 -0.001 0.000 0.251 211 T C -0.243 174.659 174.700 0.337 0.000 1.079 211 T CA 0.696 62.974 62.100 0.298 0.000 1.067 211 T CB 0.048 69.071 68.868 0.258 0.000 0.948 211 T HN 0.117 nan 8.240 nan 0.000 0.496 212 Y N 3.864 124.263 120.300 0.164 0.000 2.842 212 Y HA 0.538 5.087 4.550 -0.001 0.000 0.334 212 Y C -0.463 175.488 175.900 0.086 0.000 1.019 212 Y CA -2.182 55.979 58.100 0.102 0.000 1.258 212 Y CB 0.276 38.770 38.460 0.056 0.000 1.106 212 Y HN -0.009 nan 8.280 nan 0.000 0.545 213 V N 0.593 120.489 119.914 -0.030 0.000 2.960 213 V HA 0.790 4.909 4.120 -0.001 0.000 0.315 213 V C -0.289 175.713 176.094 -0.153 0.000 1.087 213 V CA -0.718 61.529 62.300 -0.088 0.000 0.982 213 V CB 1.851 33.718 31.823 0.073 0.000 1.039 213 V HN 0.474 nan 8.190 nan 0.000 0.437 214 S N 1.299 116.901 115.700 -0.163 0.000 2.638 214 S HA 0.866 5.335 4.470 -0.001 0.000 0.298 214 S C -0.085 174.473 174.600 -0.069 0.000 1.111 214 S CA -0.130 57.987 58.200 -0.137 0.000 1.027 214 S CB 1.648 64.740 63.200 -0.180 0.000 1.064 214 S HN 1.336 nan 8.310 nan 0.000 0.525 215 T N -1.050 113.485 114.554 -0.031 0.000 2.916 215 T HA 0.680 5.029 4.350 -0.001 0.000 0.298 215 T C -1.061 173.635 174.700 -0.008 0.000 1.031 215 T CA -0.766 61.329 62.100 -0.009 0.000 0.993 215 T CB 1.311 70.217 68.868 0.062 0.000 1.045 215 T HN 0.470 nan 8.240 nan 0.000 0.454 216 V N 1.977 121.893 119.914 0.003 0.000 2.531 216 V HA 0.913 5.032 4.120 -0.001 0.000 0.301 216 V C -0.544 175.569 176.094 0.032 0.000 1.034 216 V CA -0.323 61.978 62.300 0.001 0.000 0.865 216 V CB 0.891 32.710 31.823 -0.007 0.000 0.995 216 V HN 1.527 nan 8.190 nan 0.000 0.424 217 A N 4.391 127.227 122.820 0.027 0.000 2.430 217 A HA 0.907 5.227 4.320 -0.001 0.000 0.300 217 A C -0.211 177.403 177.584 0.051 0.000 1.124 217 A CA -0.652 51.424 52.037 0.065 0.000 0.766 217 A CB 2.029 21.057 19.000 0.047 0.000 1.328 217 A HN 0.934 nan 8.150 nan 0.000 0.424 218 S N 0.883 116.646 115.700 0.106 0.000 2.525 218 S HA 0.278 4.747 4.470 -0.001 0.000 0.278 218 S C -0.120 174.528 174.600 0.079 0.000 1.234 218 S CA -0.421 57.843 58.200 0.107 0.000 1.058 218 S CB 0.706 64.027 63.200 0.203 0.000 0.983 218 S HN 0.646 nan 8.310 nan 0.000 0.495 219 E N 1.252 121.478 120.200 0.044 0.000 2.414 219 E HA 0.418 4.767 4.350 -0.001 0.000 0.263 219 E C 0.627 177.259 176.600 0.054 0.000 1.000 219 E CA 0.271 56.689 56.400 0.030 0.000 0.914 219 E CB 0.508 30.215 29.700 0.011 0.000 0.948 219 E HN 0.850 nan 8.360 nan 0.000 0.444 220 G N 2.588 111.413 108.800 0.042 0.000 2.347 220 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.341 220 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.341 220 G C -0.215 174.716 174.900 0.051 0.000 1.287 220 G CA -0.591 44.543 45.100 0.056 0.000 0.984 220 G HN 0.542 nan 8.290 nan 0.000 0.526 221 D N -0.976 119.461 120.400 0.062 0.000 2.312 221 D HA -0.015 4.624 4.640 -0.001 0.000 0.211 221 D C 1.483 177.829 176.300 0.077 0.000 0.964 221 D CA 1.427 55.451 54.000 0.040 0.000 0.877 221 D CB 0.377 41.187 40.800 0.017 0.000 0.924 221 D HN 0.339 nan 8.370 nan 0.000 0.515 222 Y N 1.328 121.648 120.300 0.034 0.000 2.239 222 Y HA 0.142 4.692 4.550 -0.001 0.000 0.293 222 Y C 2.397 178.349 175.900 0.087 0.000 1.126 222 Y CA 1.619 59.767 58.100 0.080 0.000 1.128 222 Y CB -0.467 38.078 38.460 0.141 0.000 1.066 222 Y HN -0.130 nan 8.280 nan 0.000 0.516 223 G N -0.019 108.796 108.800 0.026 0.000 2.394 223 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.214 223 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.214 223 G C 1.404 176.210 174.900 -0.157 0.000 1.176 223 G CA 0.889 45.962 45.100 -0.045 0.000 0.786 223 G HN 0.493 nan 8.290 nan 0.000 0.533 224 E N 0.141 120.287 120.200 -0.089 0.000 2.031 224 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 224 E C 2.912 179.407 176.600 -0.175 0.000 0.994 224 E CA 1.704 58.043 56.400 -0.102 0.000 0.800 224 E CB -0.389 29.281 29.700 -0.050 0.000 0.752 224 E HN 0.556 nan 8.360 nan 0.000 0.447 225 T N -1.297 113.146 114.554 -0.184 0.000 2.867 225 T HA -0.073 4.277 4.350 -0.001 0.000 0.268 225 T C 2.059 176.532 174.700 -0.378 0.000 1.057 225 T CA 1.130 63.107 62.100 -0.206 0.000 1.136 225 T CB -0.593 68.190 68.868 -0.142 0.000 0.874 225 T HN 0.206 nan 8.240 nan 0.000 0.466 226 G N 1.593 110.001 108.800 -0.653 0.000 2.421 226 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.216 226 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.216 226 G C 1.526 175.655 174.900 -1.285 0.000 1.171 226 G CA 0.665 44.901 45.100 -1.439 0.000 0.775 226 G HN 0.428 nan 8.290 nan 0.000 0.543 227 I N 1.018 121.154 120.570 -0.723 0.000 2.202 227 I HA -0.064 4.105 4.170 -0.001 0.000 0.242 227 I C 2.628 178.695 176.117 -0.084 0.000 1.091 227 I CA 1.126 62.286 61.300 -0.233 0.000 1.368 227 I CB -0.948 37.015 38.000 -0.063 0.000 1.058 227 I HN 0.332 nan 8.210 nan 0.000 0.410 228 E N 0.616 120.735 120.200 -0.135 0.000 2.086 228 E HA -0.265 4.084 4.350 -0.001 0.000 0.200 228 E C 2.239 178.788 176.600 -0.086 0.000 1.012 228 E CA 1.709 58.057 56.400 -0.086 0.000 0.812 228 E CB -0.153 29.491 29.700 -0.093 0.000 0.743 228 E HN 0.516 nan 8.360 nan 0.000 0.453 229 A N 0.779 123.521 122.820 -0.130 0.000 1.908 229 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 229 A C 1.987 179.529 177.584 -0.070 0.000 1.181 229 A CA 1.405 53.385 52.037 -0.096 0.000 0.627 229 A CB -0.745 18.180 19.000 -0.126 0.000 0.818 229 A HN 0.396 nan 8.150 nan 0.000 0.445 230 F N 1.160 121.007 119.950 -0.172 0.000 2.113 230 F HA -0.128 4.399 4.527 -0.001 0.000 0.297 230 F C 2.113 177.882 175.800 -0.052 0.000 1.103 230 F CA 2.087 60.033 58.000 -0.090 0.000 1.248 230 F CB -0.425 38.560 39.000 -0.025 0.000 0.999 230 F HN 0.376 nan 8.300 nan 0.000 0.475 231 E N -0.084 119.975 120.200 -0.235 0.000 2.118 231 E HA -0.266 4.083 4.350 -0.001 0.000 0.195 231 E C 2.164 178.607 176.600 -0.263 0.000 0.992 231 E CA 1.537 57.761 56.400 -0.293 0.000 0.804 231 E CB -0.340 29.321 29.700 -0.064 0.000 0.741 231 E HN 0.640 nan 8.360 nan 0.000 0.458 232 Q N 0.445 120.138 119.800 -0.178 0.000 2.046 232 Q HA -0.147 4.193 4.340 -0.001 0.000 0.200 232 Q C 2.025 177.931 176.000 -0.157 0.000 0.975 232 Q CA 0.862 56.589 55.803 -0.126 0.000 0.836 232 Q CB 0.066 28.761 28.738 -0.073 0.000 0.896 232 Q HN 0.184 nan 8.270 nan 0.000 0.428 233 E N 0.376 120.452 120.200 -0.207 0.000 2.268 233 E HA -0.119 4.231 4.350 -0.001 0.000 0.195 233 E C 1.706 178.154 176.600 -0.254 0.000 0.995 233 E CA 0.873 57.155 56.400 -0.198 0.000 0.836 233 E CB -0.048 29.535 29.700 -0.196 0.000 0.763 233 E HN 0.339 nan 8.360 nan 0.000 0.491 234 A N 1.412 123.981 122.820 -0.418 0.000 1.854 234 A HA -0.124 4.195 4.320 -0.001 0.000 0.214 234 A C 2.188 179.666 177.584 -0.177 0.000 1.192 234 A CA 0.945 52.743 52.037 -0.398 0.000 0.611 234 A CB -0.318 18.308 19.000 -0.624 0.000 0.832 234 A HN 0.090 nan 8.150 nan 0.000 0.442 235 R N -0.219 120.194 120.500 -0.145 0.000 2.094 235 R HA -0.141 4.198 4.340 -0.001 0.000 0.239 235 R C 2.036 178.306 176.300 -0.049 0.000 1.137 235 R CA 1.744 57.801 56.100 -0.071 0.000 0.943 235 R CB -0.836 29.428 30.300 -0.059 0.000 0.850 235 R HN 0.513 nan 8.270 nan 0.000 0.433 236 L N 0.244 121.433 121.223 -0.056 0.000 2.197 236 L HA -0.203 4.136 4.340 -0.001 0.000 0.215 236 L C 1.748 178.607 176.870 -0.019 0.000 1.095 236 L CA 1.426 56.247 54.840 -0.032 0.000 0.764 236 L CB -0.331 41.710 42.059 -0.029 0.000 0.897 236 L HN 0.182 nan 8.230 nan 0.000 0.436 237 R N -0.178 120.306 120.500 -0.026 0.000 2.552 237 R HA 0.149 4.488 4.340 -0.001 0.000 0.314 237 R C -0.261 176.048 176.300 0.014 0.000 1.041 237 R CA -0.239 55.861 56.100 -0.001 0.000 1.076 237 R CB 0.190 30.494 30.300 0.008 0.000 1.290 237 R HN 0.221 nan 8.270 nan 0.000 0.563 238 N N 1.393 120.099 118.700 0.009 0.000 2.641 238 N HA -0.195 4.545 4.740 -0.001 0.000 0.267 238 N C -1.069 174.479 175.510 0.062 0.000 1.087 238 N CA 1.137 54.206 53.050 0.031 0.000 0.731 238 N CB -0.767 37.741 38.487 0.035 0.000 0.886 238 N HN 0.340 nan 8.380 nan 0.000 0.547 239 I N 0.357 120.958 120.570 0.051 0.000 2.534 239 I HA 0.298 4.467 4.170 -0.001 0.000 0.288 239 I C 0.170 176.340 176.117 0.088 0.000 1.077 239 I CA -0.673 60.685 61.300 0.097 0.000 1.051 239 I CB 2.049 40.101 38.000 0.087 0.000 1.234 239 I HN 0.089 nan 8.210 nan 0.000 0.425 240 c N 6.079 124.774 118.600 0.159 0.000 2.365 240 c HA 0.569 5.138 4.570 -0.001 0.000 0.349 240 c C 0.312 174.494 174.090 0.153 0.000 1.191 240 c CA -0.599 55.827 56.329 0.162 0.000 2.114 240 c CB 1.147 43.792 42.510 0.225 0.000 2.367 240 c HN 0.527 nan 8.230 nan 0.000 0.530 241 I N 2.736 123.365 120.570 0.098 0.000 2.306 241 I HA 0.233 4.403 4.170 -0.001 0.000 0.288 241 I C 1.239 177.341 176.117 -0.025 0.000 1.036 241 I CA -0.103 61.218 61.300 0.035 0.000 1.221 241 I CB 1.134 39.168 38.000 0.057 0.000 1.385 241 I HN 0.929 nan 8.210 nan 0.000 0.472 242 A N 4.803 127.467 122.820 -0.259 0.000 1.849 242 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 242 A C 1.224 178.747 177.584 -0.102 0.000 1.202 242 A CA 1.900 53.727 52.037 -0.349 0.000 0.629 242 A CB -0.143 18.396 19.000 -0.770 0.000 0.834 242 A HN 0.602 nan 8.150 nan 0.000 0.447 243 T N -2.311 112.179 114.554 -0.106 0.000 2.933 243 T HA 0.557 4.907 4.350 -0.001 0.000 0.305 243 T C -1.300 173.378 174.700 -0.035 0.000 1.092 243 T CA 0.081 62.153 62.100 -0.047 0.000 1.008 243 T CB 1.493 70.334 68.868 -0.044 0.000 1.102 243 T HN 0.938 nan 8.240 nan 0.000 0.469 244 A N 4.336 127.148 122.820 -0.014 0.000 2.540 244 A HA 0.653 4.972 4.320 -0.001 0.000 0.340 244 A C 0.106 177.681 177.584 -0.016 0.000 1.424 244 A CA -0.584 51.450 52.037 -0.004 0.000 0.940 244 A CB 0.192 19.199 19.000 0.011 0.000 1.149 244 A HN 0.711 nan 8.150 nan 0.000 0.505 245 E N 1.582 121.766 120.200 -0.027 0.000 2.319 245 E HA 0.455 4.804 4.350 -0.001 0.000 0.268 245 E C -0.266 176.308 176.600 -0.044 0.000 1.050 245 E CA -0.275 56.099 56.400 -0.042 0.000 0.878 245 E CB 1.677 31.343 29.700 -0.057 0.000 1.066 245 E HN 0.689 nan 8.360 nan 0.000 0.406 246 K N -1.009 119.352 120.400 -0.065 0.000 2.588 246 K HA 0.363 4.683 4.320 -0.001 0.000 0.250 246 K C -0.673 175.859 176.600 -0.114 0.000 0.972 246 K CA -0.788 55.459 56.287 -0.067 0.000 0.821 246 K CB 1.098 33.575 32.500 -0.037 0.000 1.249 246 K HN 0.260 nan 8.250 nan 0.000 0.442 247 V N 0.274 120.091 119.914 -0.162 0.000 2.743 247 V HA 0.874 4.993 4.120 -0.001 0.000 0.301 247 V C 0.335 176.364 176.094 -0.109 0.000 1.057 247 V CA 0.202 62.349 62.300 -0.255 0.000 1.006 247 V CB 1.119 32.623 31.823 -0.531 0.000 1.024 247 V HN 0.914 nan 8.190 nan 0.000 0.473 248 G N 2.964 111.717 108.800 -0.079 0.000 3.209 248 G HA2 0.532 4.491 3.960 -0.001 0.000 0.236 248 G HA3 0.532 4.491 3.960 -0.001 0.000 0.236 248 G C -0.515 174.396 174.900 0.019 0.000 1.329 248 G CA -1.440 43.650 45.100 -0.017 0.000 1.015 248 G HN 0.831 nan 8.290 nan 0.000 0.571 249 R N 0.104 120.613 120.500 0.015 0.000 2.590 249 R HA 0.253 4.593 4.340 -0.001 0.000 0.274 249 R C 1.273 177.588 176.300 0.025 0.000 1.061 249 R CA 1.068 57.178 56.100 0.016 0.000 1.081 249 R CB 0.673 30.976 30.300 0.004 0.000 0.984 249 R HN 1.036 nan 8.270 nan 0.000 0.448 250 S N -0.294 115.421 115.700 0.024 0.000 3.002 250 S HA -0.274 4.195 4.470 -0.001 0.000 0.289 250 S C 0.099 174.731 174.600 0.053 0.000 1.309 250 S CA 1.275 59.490 58.200 0.025 0.000 1.195 250 S CB -1.793 61.414 63.200 0.012 0.000 1.433 250 S HN 0.827 nan 8.310 nan 0.000 0.711 251 N N 2.143 120.899 118.700 0.093 0.000 2.225 251 N HA 0.364 5.103 4.740 -0.001 0.000 0.257 251 N C 0.375 175.989 175.510 0.174 0.000 1.252 251 N CA 1.134 54.271 53.050 0.145 0.000 0.833 251 N CB 0.033 38.634 38.487 0.189 0.000 1.068 251 N HN 0.658 nan 8.380 nan 0.000 0.468 252 I N 1.265 121.914 120.570 0.131 0.000 2.924 252 I HA 0.273 4.442 4.170 -0.001 0.000 0.316 252 I C 1.809 178.000 176.117 0.124 0.000 1.014 252 I CA -0.950 60.398 61.300 0.080 0.000 1.106 252 I CB 0.945 38.971 38.000 0.043 0.000 1.311 252 I HN 0.435 nan 8.210 nan 0.000 0.502 253 R N 1.414 121.935 120.500 0.035 0.000 2.191 253 R HA -0.273 4.067 4.340 -0.001 0.000 0.248 253 R C 1.963 178.337 176.300 0.123 0.000 1.127 253 R CA 2.202 58.322 56.100 0.035 0.000 0.943 253 R CB -0.552 29.747 30.300 -0.002 0.000 0.891 253 R HN 0.542 nan 8.270 nan 0.000 0.439 254 K N -0.081 120.372 120.400 0.088 0.000 2.127 254 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 254 K C 2.254 178.908 176.600 0.091 0.000 1.047 254 K CA 1.816 58.150 56.287 0.078 0.000 0.927 254 K CB -0.189 32.340 32.500 0.049 0.000 0.716 254 K HN 0.106 nan 8.250 nan 0.000 0.450 255 S N 0.061 115.831 115.700 0.115 0.000 2.399 255 S HA -0.113 4.357 4.470 -0.001 0.000 0.231 255 S C 1.693 176.288 174.600 -0.007 0.000 1.022 255 S CA 1.133 59.358 58.200 0.042 0.000 0.983 255 S CB -0.203 63.006 63.200 0.015 0.000 0.803 255 S HN 0.284 nan 8.310 nan 0.000 0.480 256 Y N 1.759 122.056 120.300 -0.006 0.000 2.286 256 Y HA 0.014 4.564 4.550 -0.001 0.000 0.293 256 Y C 2.333 178.239 175.900 0.009 0.000 1.124 256 Y CA 0.471 58.566 58.100 -0.008 0.000 1.178 256 Y CB -0.385 38.059 38.460 -0.025 0.000 1.010 256 Y HN 0.187 nan 8.280 nan 0.000 0.536 257 D N -0.835 119.667 120.400 0.170 0.000 2.144 257 D HA -0.181 4.459 4.640 -0.001 0.000 0.199 257 D C 2.247 178.595 176.300 0.080 0.000 0.984 257 D CA 1.492 55.559 54.000 0.112 0.000 0.834 257 D CB -0.256 40.595 40.800 0.085 0.000 0.955 257 D HN 0.220 nan 8.370 nan 0.000 0.465 258 S N -0.179 115.555 115.700 0.056 0.000 2.419 258 S HA -0.096 4.373 4.470 -0.001 0.000 0.233 258 S C 2.043 176.653 174.600 0.016 0.000 1.016 258 S CA 0.589 58.806 58.200 0.029 0.000 0.974 258 S CB 0.049 63.254 63.200 0.009 0.000 0.786 258 S HN 0.021 nan 8.310 nan 0.000 0.492 259 V N 1.947 121.862 119.914 0.002 0.000 2.446 259 V HA -0.028 4.091 4.120 -0.001 0.000 0.244 259 V C 2.315 178.425 176.094 0.027 0.000 1.039 259 V CA 0.924 63.214 62.300 -0.017 0.000 1.045 259 V CB -0.437 31.339 31.823 -0.079 0.000 0.681 259 V HN 0.452 nan 8.190 nan 0.000 0.459 260 I N 0.215 120.834 120.570 0.081 0.000 2.208 260 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 260 I C 2.642 178.856 176.117 0.163 0.000 1.097 260 I CA 1.687 63.077 61.300 0.149 0.000 1.363 260 I CB -1.094 37.026 38.000 0.201 0.000 1.051 260 I HN 0.331 nan 8.210 nan 0.000 0.413 261 R N 0.705 121.273 120.500 0.113 0.000 2.088 261 R HA -0.184 4.155 4.340 -0.001 0.000 0.232 261 R C 2.090 178.442 176.300 0.087 0.000 1.136 261 R CA 1.584 57.743 56.100 0.098 0.000 0.926 261 R CB -0.409 29.930 30.300 0.065 0.000 0.837 261 R HN 0.457 nan 8.270 nan 0.000 0.429 262 E N 0.623 120.856 120.200 0.054 0.000 2.273 262 E HA -0.217 4.132 4.350 -0.001 0.000 0.198 262 E C 2.019 178.642 176.600 0.038 0.000 1.002 262 E CA 0.926 57.347 56.400 0.034 0.000 0.828 262 E CB -0.125 29.580 29.700 0.009 0.000 0.747 262 E HN 0.371 nan 8.360 nan 0.000 0.491 263 L N 0.177 121.432 121.223 0.052 0.000 2.131 263 L HA -0.096 4.243 4.340 -0.001 0.000 0.206 263 L C 2.284 179.297 176.870 0.239 0.000 1.087 263 L CA 0.554 55.419 54.840 0.042 0.000 0.767 263 L CB -0.138 41.807 42.059 -0.189 0.000 0.917 263 L HN 0.163 nan 8.230 nan 0.000 0.441 264 L N -0.595 120.795 121.223 0.279 0.000 2.362 264 L HA -0.152 4.187 4.340 -0.001 0.000 0.219 264 L C 1.765 178.698 176.870 0.105 0.000 1.134 264 L CA 0.712 55.678 54.840 0.210 0.000 0.807 264 L CB -0.275 41.876 42.059 0.155 0.000 0.927 264 L HN 0.343 nan 8.230 nan 0.000 0.447 265 Q N 0.343 120.196 119.800 0.089 0.000 2.291 265 Q HA 0.036 4.375 4.340 -0.001 0.000 0.211 265 Q C -0.129 175.907 176.000 0.060 0.000 0.925 265 Q CA 0.316 56.154 55.803 0.058 0.000 0.949 265 Q CB 0.332 29.097 28.738 0.046 0.000 1.015 265 Q HN 0.151 nan 8.270 nan 0.000 0.477 266 K N 0.256 120.700 120.400 0.072 0.000 3.394 266 K HA 0.148 4.467 4.320 -0.001 0.000 0.175 266 K C -2.216 174.435 176.600 0.086 0.000 1.047 266 K CA -1.146 55.187 56.287 0.077 0.000 0.814 266 K CB 1.073 33.570 32.500 -0.006 0.000 0.803 266 K HN -0.041 nan 8.250 nan 0.000 0.522 267 P HA -0.226 nan 4.420 nan 0.000 0.218 267 P C 0.780 178.102 177.300 0.037 0.000 1.150 267 P CA 1.340 64.454 63.100 0.023 0.000 0.841 267 P CB 0.397 32.098 31.700 0.001 0.000 0.784 268 N N 0.221 118.989 118.700 0.115 0.000 2.309 268 N HA -0.030 4.709 4.740 -0.001 0.000 0.182 268 N C 0.882 176.512 175.510 0.201 0.000 1.018 268 N CA 0.805 53.950 53.050 0.158 0.000 0.876 268 N CB -0.690 37.908 38.487 0.186 0.000 0.972 268 N HN 0.134 nan 8.380 nan 0.000 0.434 269 A N 0.656 123.546 122.820 0.117 0.000 2.805 269 A HA 0.248 4.567 4.320 -0.001 0.000 0.301 269 A C 1.203 178.766 177.584 -0.036 0.000 1.557 269 A CA -0.198 51.784 52.037 -0.091 0.000 1.254 269 A CB -0.007 18.748 19.000 -0.407 0.000 1.114 269 A HN 0.009 nan 8.150 nan 0.000 0.553 270 R N 1.557 122.015 120.500 -0.070 0.000 2.300 270 R HA 0.190 4.529 4.340 -0.001 0.000 0.199 270 R C -0.299 175.871 176.300 -0.218 0.000 0.920 270 R CA 0.582 56.615 56.100 -0.112 0.000 1.046 270 R CB 0.095 30.302 30.300 -0.156 0.000 0.984 270 R HN 0.399 nan 8.270 nan 0.000 0.493 271 V N 1.286 121.014 119.914 -0.310 0.000 2.384 271 V HA 0.368 4.487 4.120 -0.001 0.000 0.287 271 V C -0.812 175.099 176.094 -0.305 0.000 1.020 271 V CA -0.829 61.196 62.300 -0.458 0.000 0.850 271 V CB 1.852 33.223 31.823 -0.754 0.000 0.987 271 V HN -0.194 nan 8.190 nan 0.000 0.436 272 V N 6.079 125.802 119.914 -0.319 0.000 2.378 272 V HA 0.382 4.502 4.120 -0.001 0.000 0.288 272 V C -0.020 176.029 176.094 -0.076 0.000 1.016 272 V CA -0.719 61.450 62.300 -0.217 0.000 0.840 272 V CB 1.829 33.447 31.823 -0.342 0.000 0.994 272 V HN 0.573 nan 8.190 nan 0.000 0.431 273 V N 6.926 126.771 119.914 -0.115 0.000 2.488 273 V HA 0.344 4.463 4.120 -0.001 0.000 0.277 273 V C 0.053 176.081 176.094 -0.109 0.000 1.046 273 V CA -0.076 62.105 62.300 -0.199 0.000 0.986 273 V CB 1.069 32.575 31.823 -0.529 0.000 0.989 273 V HN 0.612 nan 8.190 nan 0.000 0.475 274 L N 5.373 126.549 121.223 -0.077 0.000 2.341 274 L HA 0.572 4.912 4.340 -0.001 0.000 0.278 274 L C -0.811 176.006 176.870 -0.088 0.000 1.005 274 L CA -0.307 54.532 54.840 -0.002 0.000 0.818 274 L CB 1.778 43.897 42.059 0.099 0.000 1.259 274 L HN 0.521 nan 8.230 nan 0.000 0.418 275 F N 4.015 123.940 119.950 -0.042 0.000 2.622 275 F HA 0.508 5.035 4.527 -0.000 0.000 0.338 275 F C -0.271 175.561 175.800 0.054 0.000 1.334 275 F CA -0.230 57.731 58.000 -0.064 0.000 1.179 275 F CB 0.734 39.619 39.000 -0.192 0.000 1.471 275 F HN 0.375 nan 8.300 nan 0.000 0.576 276 M N 1.362 121.129 119.600 0.278 0.000 2.644 276 M HA 0.515 4.995 4.480 -0.001 0.000 0.304 276 M C -0.150 176.369 176.300 0.365 0.000 1.215 276 M CA -1.018 54.476 55.300 0.323 0.000 0.871 276 M CB 2.514 35.225 32.600 0.186 0.000 1.740 276 M HN 0.156 nan 8.290 nan 0.000 0.464 277 R N 0.176 120.859 120.500 0.305 0.000 2.734 277 R HA 0.050 4.390 4.340 -0.001 0.000 0.266 277 R C 1.206 177.581 176.300 0.125 0.000 1.044 277 R CA 0.062 56.292 56.100 0.216 0.000 1.128 277 R CB 0.395 30.865 30.300 0.284 0.000 1.010 277 R HN 0.803 nan 8.270 nan 0.000 0.461 278 S N 1.311 117.049 115.700 0.064 0.000 2.359 278 S HA -0.211 4.258 4.470 -0.001 0.000 0.223 278 S C 1.402 175.990 174.600 -0.021 0.000 1.039 278 S CA 2.142 60.334 58.200 -0.014 0.000 1.042 278 S CB -0.259 62.907 63.200 -0.056 0.000 0.915 278 S HN 0.783 nan 8.310 nan 0.000 0.439 279 D N 0.800 121.234 120.400 0.057 0.000 2.117 279 D HA -0.125 4.514 4.640 -0.001 0.000 0.197 279 D C 1.384 177.653 176.300 -0.053 0.000 0.987 279 D CA 1.511 55.502 54.000 -0.015 0.000 0.829 279 D CB -1.128 39.673 40.800 0.002 0.000 0.961 279 D HN 0.369 nan 8.370 nan 0.000 0.460 280 D N 0.424 120.844 120.400 0.034 0.000 2.117 280 D HA -0.085 4.554 4.640 -0.001 0.000 0.197 280 D C 2.134 178.460 176.300 0.042 0.000 0.987 280 D CA 1.423 55.489 54.000 0.111 0.000 0.829 280 D CB -0.403 40.520 40.800 0.204 0.000 0.961 280 D HN 0.167 nan 8.370 nan 0.000 0.460 281 S N 0.344 116.019 115.700 -0.043 0.000 2.383 281 S HA -0.192 4.278 4.470 -0.001 0.000 0.229 281 S C 1.889 176.255 174.600 -0.390 0.000 1.030 281 S CA 1.062 59.146 58.200 -0.194 0.000 1.002 281 S CB -0.058 63.006 63.200 -0.226 0.000 0.829 281 S HN 0.117 nan 8.310 nan 0.000 0.467 282 R N 1.721 122.012 120.500 -0.349 0.000 2.081 282 R HA -0.039 4.301 4.340 -0.001 0.000 0.235 282 R C 2.087 178.174 176.300 -0.355 0.000 1.131 282 R CA 1.408 57.283 56.100 -0.376 0.000 0.960 282 R CB -0.396 29.737 30.300 -0.279 0.000 0.856 282 R HN 0.253 nan 8.270 nan 0.000 0.436 283 E N 0.385 120.359 120.200 -0.377 0.000 2.077 283 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 283 E C 1.887 178.243 176.600 -0.407 0.000 0.989 283 E CA 0.891 56.953 56.400 -0.564 0.000 0.800 283 E CB -0.351 28.636 29.700 -1.188 0.000 0.746 283 E HN 0.308 nan 8.360 nan 0.000 0.452 284 L N 1.042 122.172 121.223 -0.153 0.000 2.046 284 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 284 L C 2.132 178.899 176.870 -0.172 0.000 1.077 284 L CA 1.218 56.082 54.840 0.040 0.000 0.747 284 L CB -0.428 41.648 42.059 0.028 0.000 0.896 284 L HN 0.088 nan 8.230 nan 0.000 0.432 285 I N 0.327 120.678 120.570 -0.365 0.000 2.493 285 I HA -0.181 3.988 4.170 -0.001 0.000 0.254 285 I C 2.799 178.793 176.117 -0.205 0.000 1.160 285 I CA 1.233 62.303 61.300 -0.384 0.000 1.445 285 I CB -1.552 36.104 38.000 -0.574 0.000 1.086 285 I HN 0.206 nan 8.210 nan 0.000 0.433 286 A N 0.728 123.423 122.820 -0.208 0.000 1.897 286 A HA 0.008 4.327 4.320 -0.001 0.000 0.215 286 A C 2.515 180.057 177.584 -0.070 0.000 1.181 286 A CA 1.449 53.396 52.037 -0.149 0.000 0.620 286 A CB -0.609 18.281 19.000 -0.183 0.000 0.821 286 A HN 0.366 nan 8.150 nan 0.000 0.443 287 A N -0.380 122.413 122.820 -0.045 0.000 2.067 287 A HA 0.270 4.590 4.320 -0.001 0.000 0.219 287 A C 2.285 179.927 177.584 0.096 0.000 1.158 287 A CA 1.685 53.745 52.037 0.038 0.000 0.661 287 A CB -0.611 18.452 19.000 0.105 0.000 0.801 287 A HN 0.925 nan 8.150 nan 0.000 0.452 288 A N -0.038 122.852 122.820 0.116 0.000 2.021 288 A HA -0.048 4.272 4.320 -0.001 0.000 0.216 288 A C 1.875 179.559 177.584 0.167 0.000 1.163 288 A CA 1.504 53.679 52.037 0.230 0.000 0.676 288 A CB -0.495 18.744 19.000 0.398 0.000 0.818 288 A HN 0.572 nan 8.150 nan 0.000 0.453 289 N N -0.067 118.677 118.700 0.074 0.000 2.171 289 N HA -0.117 4.622 4.740 -0.001 0.000 0.184 289 N C 1.815 177.377 175.510 0.087 0.000 1.021 289 N CA 1.407 54.485 53.050 0.048 0.000 0.854 289 N CB -0.232 38.230 38.487 -0.042 0.000 0.994 289 N HN 0.478 nan 8.380 nan 0.000 0.426 290 R N -0.231 120.306 120.500 0.062 0.000 2.103 290 R HA -0.101 4.238 4.340 -0.001 0.000 0.234 290 R C 1.712 178.056 176.300 0.072 0.000 1.132 290 R CA 1.949 58.083 56.100 0.057 0.000 0.925 290 R CB -0.926 29.400 30.300 0.043 0.000 0.842 290 R HN 0.302 nan 8.270 nan 0.000 0.430 291 V N -0.442 119.523 119.914 0.085 0.000 3.544 291 V HA 0.071 4.191 4.120 -0.001 0.000 0.304 291 V C 0.412 176.561 176.094 0.092 0.000 1.256 291 V CA 0.581 62.930 62.300 0.082 0.000 1.232 291 V CB -1.439 30.437 31.823 0.089 0.000 1.065 291 V HN 0.552 nan 8.190 nan 0.000 0.423 292 N N 0.026 118.793 118.700 0.112 0.000 2.686 292 N HA -0.239 4.501 4.740 -0.001 0.000 0.249 292 N C 0.541 176.120 175.510 0.114 0.000 1.082 292 N CA 0.224 53.355 53.050 0.136 0.000 0.725 292 N CB -0.739 37.811 38.487 0.105 0.000 1.009 292 N HN 1.010 nan 8.380 nan 0.000 0.545 293 A N 0.041 122.944 122.820 0.138 0.000 2.386 293 A HA 0.527 4.846 4.320 -0.001 0.000 0.248 293 A C 0.136 177.781 177.584 0.101 0.000 1.082 293 A CA 0.354 52.452 52.037 0.102 0.000 0.789 293 A CB 0.784 19.955 19.000 0.285 0.000 1.025 293 A HN 0.299 nan 8.150 nan 0.000 0.490 294 S N 0.093 115.675 115.700 -0.197 0.000 2.619 294 S HA 0.751 5.220 4.470 -0.001 0.000 0.280 294 S C -1.291 172.963 174.600 -0.577 0.000 1.150 294 S CA -0.240 57.870 58.200 -0.149 0.000 0.978 294 S CB 0.655 63.816 63.200 -0.064 0.000 1.041 294 S HN 0.506 nan 8.310 nan 0.000 0.485 295 F N 0.136 119.843 119.950 -0.405 0.000 2.726 295 F HA 0.554 5.081 4.527 -0.001 0.000 0.324 295 F C 0.334 175.674 175.800 -0.766 0.000 1.140 295 F CA -0.907 56.695 58.000 -0.664 0.000 0.964 295 F CB 1.213 39.583 39.000 -1.050 0.000 1.399 295 F HN 0.238 nan 8.300 nan 0.000 0.491 296 T N 0.989 115.272 114.554 -0.451 0.000 2.743 296 T HA 0.270 4.620 4.350 -0.001 0.000 0.292 296 T C -1.126 173.307 174.700 -0.445 0.000 0.972 296 T CA -0.338 61.540 62.100 -0.370 0.000 0.967 296 T CB -0.067 68.610 68.868 -0.318 0.000 0.926 296 T HN 0.285 nan 8.240 nan 0.000 0.459 297 W N 2.307 123.569 121.300 -0.063 0.000 2.315 297 W HA 0.556 5.216 4.660 -0.001 0.000 0.316 297 W C -0.435 175.932 176.519 -0.253 0.000 1.211 297 W CA -0.899 56.359 57.345 -0.145 0.000 1.201 297 W CB 0.826 30.216 29.460 -0.115 0.000 1.184 297 W HN 0.229 nan 8.180 nan 0.000 0.544 298 V N 3.674 123.581 119.914 -0.011 0.000 2.385 298 V HA 0.634 4.754 4.120 -0.001 0.000 0.277 298 V C 0.001 175.989 176.094 -0.176 0.000 1.012 298 V CA -0.903 61.335 62.300 -0.103 0.000 0.832 298 V CB 0.264 32.056 31.823 -0.052 0.000 1.028 298 V HN 0.658 nan 8.190 nan 0.000 0.436 299 A N 3.417 126.052 122.820 -0.308 0.000 2.330 299 A HA 0.945 5.264 4.320 -0.001 0.000 0.329 299 A C 0.402 177.785 177.584 -0.335 0.000 1.135 299 A CA -0.276 51.580 52.037 -0.302 0.000 0.817 299 A CB 1.620 20.447 19.000 -0.288 0.000 1.269 299 A HN 0.886 nan 8.150 nan 0.000 0.469 300 S N 0.169 115.619 115.700 -0.416 0.000 2.661 300 S HA 0.203 4.672 4.470 -0.001 0.000 0.265 300 S C 0.803 175.299 174.600 -0.174 0.000 1.225 300 S CA 0.251 58.160 58.200 -0.485 0.000 0.986 300 S CB 0.550 63.038 63.200 -1.187 0.000 1.008 300 S HN 0.830 nan 8.310 nan 0.000 0.565 301 D N -0.061 120.297 120.400 -0.069 0.000 2.357 301 D HA -0.101 4.539 4.640 -0.001 0.000 0.216 301 D C 1.657 177.966 176.300 0.015 0.000 0.973 301 D CA 1.223 55.233 54.000 0.016 0.000 0.912 301 D CB -1.086 39.768 40.800 0.089 0.000 0.900 301 D HN 0.696 nan 8.370 nan 0.000 0.501 302 G N 0.236 109.075 108.800 0.065 0.000 2.440 302 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.218 302 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.218 302 G C 1.284 176.220 174.900 0.060 0.000 1.154 302 G CA 0.794 45.904 45.100 0.016 0.000 0.767 302 G HN 0.387 nan 8.290 nan 0.000 0.552 303 W N 1.733 122.963 121.300 -0.116 0.000 2.526 303 W HA 0.250 4.909 4.660 -0.001 0.000 0.294 303 W C 1.586 177.993 176.519 -0.187 0.000 1.181 303 W CA 1.313 58.579 57.345 -0.132 0.000 1.373 303 W CB -0.636 28.753 29.460 -0.120 0.000 1.112 303 W HN 0.476 nan 8.180 nan 0.000 0.545 304 G N 1.235 110.110 108.800 0.124 0.000 2.596 304 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.295 304 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.295 304 G C 0.686 175.363 174.900 -0.372 0.000 1.240 304 G CA 1.547 46.580 45.100 -0.112 0.000 0.985 304 G HN 1.060 nan 8.290 nan 0.000 0.555 305 A N -0.202 122.238 122.820 -0.634 0.000 2.610 305 A HA 0.557 4.877 4.320 -0.001 0.000 0.286 305 A C 0.842 177.905 177.584 -0.869 0.000 1.306 305 A CA 0.640 51.906 52.037 -1.286 0.000 0.942 305 A CB -0.028 18.228 19.000 -1.241 0.000 1.112 305 A HN 0.579 nan 8.150 nan 0.000 0.527 306 Q N 0.413 119.987 119.800 -0.377 0.000 2.297 306 Q HA 0.142 4.481 4.340 -0.001 0.000 0.267 306 Q C 0.142 176.234 176.000 0.153 0.000 1.006 306 Q CA 0.028 55.771 55.803 -0.101 0.000 0.896 306 Q CB 0.892 29.583 28.738 -0.077 0.000 1.186 306 Q HN 0.542 nan 8.270 nan 0.000 0.392 307 E N 0.904 121.252 120.200 0.246 0.000 2.216 307 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 307 E C 1.766 178.463 176.600 0.162 0.000 0.988 307 E CA 0.995 57.614 56.400 0.366 0.000 0.834 307 E CB 0.257 30.159 29.700 0.337 0.000 0.772 307 E HN 0.684 nan 8.360 nan 0.000 0.479 308 S N 0.739 116.476 115.700 0.063 0.000 2.442 308 S HA -0.108 4.362 4.470 -0.001 0.000 0.236 308 S C 1.955 176.490 174.600 -0.108 0.000 1.007 308 S CA 0.536 58.726 58.200 -0.017 0.000 0.965 308 S CB -0.270 62.914 63.200 -0.026 0.000 0.773 308 S HN 0.188 nan 8.310 nan 0.000 0.504 309 I N 0.988 121.459 120.570 -0.166 0.000 2.439 309 I HA -0.050 4.119 4.170 -0.001 0.000 0.251 309 I C 1.694 177.570 176.117 -0.402 0.000 1.139 309 I CA 0.902 61.988 61.300 -0.357 0.000 1.438 309 I CB 0.040 37.674 38.000 -0.609 0.000 1.085 309 I HN 0.248 nan 8.210 nan 0.000 0.427 310 V N 0.041 119.792 119.914 -0.272 0.000 3.650 310 V HA -0.012 4.107 4.120 -0.001 0.000 0.271 310 V C 1.074 176.994 176.094 -0.291 0.000 1.281 310 V CA 0.040 62.178 62.300 -0.270 0.000 1.120 310 V CB -0.556 31.189 31.823 -0.130 0.000 0.856 310 V HN 0.244 nan 8.190 nan 0.000 0.443 311 K N 1.544 121.804 120.400 -0.232 0.000 2.472 311 K HA 0.252 4.571 4.320 -0.001 0.000 0.280 311 K C 1.139 177.624 176.600 -0.192 0.000 1.028 311 K CA 1.059 57.214 56.287 -0.220 0.000 1.045 311 K CB 0.045 32.494 32.500 -0.085 0.000 0.902 311 K HN 0.432 nan 8.250 nan 0.000 0.478 312 G N 2.568 111.258 108.800 -0.183 0.000 2.136 312 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.242 312 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.242 312 G C 0.067 174.887 174.900 -0.133 0.000 0.989 312 G CA 0.268 45.297 45.100 -0.119 0.000 0.682 312 G HN 0.614 nan 8.290 nan 0.000 0.522 313 S N -1.219 114.360 115.700 -0.203 0.000 2.849 313 S HA 0.176 4.645 4.470 -0.001 0.000 0.226 313 S C 1.077 175.478 174.600 -0.332 0.000 0.809 313 S CA 0.431 58.465 58.200 -0.276 0.000 1.324 313 S CB 0.152 63.205 63.200 -0.246 0.000 1.275 313 S HN 0.313 nan 8.310 nan 0.000 0.585 314 E N 1.988 122.023 120.200 -0.275 0.000 2.136 314 E HA -0.268 4.081 4.350 -0.001 0.000 0.202 314 E C 1.519 178.097 176.600 -0.036 0.000 1.019 314 E CA 2.296 58.559 56.400 -0.229 0.000 0.819 314 E CB -0.462 29.014 29.700 -0.374 0.000 0.739 314 E HN 0.932 nan 8.360 nan 0.000 0.458 315 H N -1.726 117.361 119.070 0.028 0.000 2.495 315 H HA 0.076 4.632 4.556 -0.001 0.000 0.287 315 H C 1.651 177.082 175.328 0.171 0.000 1.033 315 H CA 0.982 57.082 56.048 0.087 0.000 1.307 315 H CB -0.247 29.534 29.762 0.030 0.000 1.401 315 H HN 0.028 nan 8.280 nan 0.000 0.555 316 V N 0.388 120.130 119.914 -0.286 0.000 2.719 316 V HA 0.060 4.179 4.120 -0.001 0.000 0.252 316 V C 2.225 178.525 176.094 0.344 0.000 1.065 316 V CA 1.326 63.643 62.300 0.029 0.000 1.086 316 V CB -0.346 31.436 31.823 -0.068 0.000 0.700 316 V HN 0.742 nan 8.190 nan 0.000 0.467 317 A N -1.774 121.214 122.820 0.281 0.000 2.430 317 A HA 0.264 4.584 4.320 -0.001 0.000 0.243 317 A C 0.605 178.409 177.584 0.367 0.000 1.254 317 A CA -0.408 51.912 52.037 0.471 0.000 0.914 317 A CB -0.299 18.933 19.000 0.386 0.000 0.998 317 A HN 0.441 nan 8.150 nan 0.000 0.515 318 Y N 0.921 121.336 120.300 0.192 0.000 2.702 318 Y HA 0.300 4.849 4.550 -0.001 0.000 0.336 318 Y C 1.356 177.346 175.900 0.149 0.000 1.235 318 Y CA 1.111 59.294 58.100 0.139 0.000 1.492 318 Y CB 0.315 38.853 38.460 0.131 0.000 1.308 318 Y HN 0.601 nan 8.280 nan 0.000 0.589 319 G N 3.366 111.664 108.800 -0.837 0.000 2.198 319 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.260 319 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.260 319 G C 0.002 174.783 174.900 -0.198 0.000 1.025 319 G CA 0.159 44.918 45.100 -0.568 0.000 0.769 319 G HN 1.216 nan 8.290 nan 0.000 0.507 320 A N -0.578 122.181 122.820 -0.101 0.000 2.302 320 A HA 0.802 5.121 4.320 -0.001 0.000 0.285 320 A C 0.338 177.849 177.584 -0.121 0.000 1.105 320 A CA -0.380 51.639 52.037 -0.031 0.000 0.816 320 A CB 0.734 19.759 19.000 0.043 0.000 1.067 320 A HN 0.723 nan 8.150 nan 0.000 0.489 321 I N 1.931 122.428 120.570 -0.122 0.000 2.362 321 I HA 0.379 4.548 4.170 -0.001 0.000 0.289 321 I C 0.261 176.273 176.117 -0.175 0.000 0.994 321 I CA -0.170 61.074 61.300 -0.094 0.000 1.158 321 I CB 1.980 39.985 38.000 0.007 0.000 1.315 321 I HN 0.833 nan 8.210 nan 0.000 0.451 322 T N 4.847 119.318 114.554 -0.138 0.000 2.916 322 T HA 0.739 5.089 4.350 -0.001 0.000 0.292 322 T C -0.592 174.101 174.700 -0.011 0.000 1.055 322 T CA -0.842 61.120 62.100 -0.230 0.000 1.009 322 T CB 1.961 70.568 68.868 -0.435 0.000 1.118 322 T HN 0.298 nan 8.240 nan 0.000 0.497 323 L N 0.868 122.065 121.223 -0.043 0.000 2.322 323 L HA 0.907 5.247 4.340 -0.001 0.000 0.269 323 L C -0.371 176.579 176.870 0.132 0.000 1.012 323 L CA -1.003 53.891 54.840 0.090 0.000 0.815 323 L CB 1.955 44.004 42.059 -0.018 0.000 1.295 323 L HN 0.844 nan 8.230 nan 0.000 0.438 324 E N 0.949 121.319 120.200 0.284 0.000 2.390 324 E HA 0.414 4.764 4.350 -0.001 0.000 0.280 324 E C -1.457 175.336 176.600 0.321 0.000 0.992 324 E CA -0.626 55.914 56.400 0.233 0.000 0.790 324 E CB 1.601 31.358 29.700 0.096 0.000 1.248 324 E HN 0.417 nan 8.360 nan 0.000 0.447 325 L N 1.956 123.318 121.223 0.231 0.000 2.514 325 L HA 0.349 4.689 4.340 -0.001 0.000 0.280 325 L C 0.433 177.432 176.870 0.215 0.000 1.223 325 L CA 0.001 54.920 54.840 0.132 0.000 0.864 325 L CB 0.356 42.451 42.059 0.060 0.000 1.118 325 L HN 0.685 nan 8.230 nan 0.000 0.494 326 A N 3.321 126.225 122.820 0.140 0.000 2.451 326 A HA 0.506 4.825 4.320 -0.001 0.000 0.266 326 A C 0.222 177.886 177.584 0.134 0.000 1.119 326 A CA -0.021 52.086 52.037 0.117 0.000 0.786 326 A CB 0.066 19.109 19.000 0.072 0.000 1.061 326 A HN 0.792 nan 8.150 nan 0.000 0.503 327 S N 1.988 117.682 115.700 -0.009 0.000 2.643 327 S HA 0.741 5.210 4.470 -0.001 0.000 0.270 327 S C -1.171 173.297 174.600 -0.220 0.000 1.166 327 S CA -0.967 57.191 58.200 -0.069 0.000 0.815 327 S CB 0.914 64.018 63.200 -0.160 0.000 1.139 327 S HN 0.758 nan 8.310 nan 0.000 0.472 328 H N 0.784 119.798 119.070 -0.093 0.000 2.667 328 H HA 0.643 5.198 4.556 -0.001 0.000 0.353 328 H C -2.688 172.605 175.328 -0.057 0.000 1.072 328 H CA -1.205 54.815 56.048 -0.048 0.000 1.214 328 H CB 1.143 30.883 29.762 -0.037 0.000 1.600 328 H HN 0.525 nan 8.280 nan 0.000 0.527 329 P HA -0.066 nan 4.420 nan 0.000 0.266 329 P C -0.346 176.997 177.300 0.072 0.000 1.186 329 P CA -0.069 63.060 63.100 0.048 0.000 0.767 329 P CB 0.912 32.641 31.700 0.048 0.000 0.820 330 V N 5.497 125.453 119.914 0.069 0.000 2.304 330 V HA 0.094 4.214 4.120 -0.001 0.000 0.262 330 V C 2.025 178.186 176.094 0.112 0.000 1.061 330 V CA -0.307 62.057 62.300 0.106 0.000 0.872 330 V CB 0.277 32.151 31.823 0.085 0.000 1.077 330 V HN 0.541 nan 8.190 nan 0.000 0.480 331 R N 2.451 123.017 120.500 0.109 0.000 2.113 331 R HA -0.228 4.111 4.340 -0.001 0.000 0.244 331 R C 2.006 178.334 176.300 0.047 0.000 1.142 331 R CA 1.786 57.940 56.100 0.089 0.000 0.953 331 R CB -0.158 30.197 30.300 0.091 0.000 0.860 331 R HN 0.713 nan 8.270 nan 0.000 0.438 332 Q N -0.658 119.166 119.800 0.038 0.000 2.308 332 Q HA -0.174 4.165 4.340 -0.001 0.000 0.209 332 Q C 1.745 177.591 176.000 -0.256 0.000 0.985 332 Q CA 1.340 57.130 55.803 -0.022 0.000 0.881 332 Q CB -0.164 28.590 28.738 0.026 0.000 0.917 332 Q HN 0.252 nan 8.270 nan 0.000 0.443 333 F N 0.783 120.397 119.950 -0.560 0.000 2.206 333 F HA -0.137 4.390 4.527 -0.001 0.000 0.298 333 F C 1.496 177.143 175.800 -0.254 0.000 1.090 333 F CA 1.218 58.732 58.000 -0.811 0.000 1.323 333 F CB -0.059 38.542 39.000 -0.665 0.000 1.028 333 F HN 0.066 nan 8.300 nan 0.000 0.492 334 D N 0.290 120.589 120.400 -0.167 0.000 2.123 334 D HA -0.215 4.425 4.640 -0.001 0.000 0.196 334 D C 2.390 178.609 176.300 -0.134 0.000 0.992 334 D CA 1.097 55.072 54.000 -0.040 0.000 0.833 334 D CB -0.396 40.500 40.800 0.159 0.000 0.954 334 D HN 0.311 nan 8.370 nan 0.000 0.455 335 R N -0.277 120.161 120.500 -0.104 0.000 2.070 335 R HA -0.202 4.137 4.340 -0.001 0.000 0.233 335 R C 2.442 178.663 176.300 -0.132 0.000 1.137 335 R CA 1.209 57.267 56.100 -0.071 0.000 0.945 335 R CB -0.619 29.677 30.300 -0.006 0.000 0.845 335 R HN 0.208 nan 8.270 nan 0.000 0.430 336 Y N 0.376 120.507 120.300 -0.282 0.000 2.114 336 Y HA -0.304 4.245 4.550 -0.001 0.000 0.282 336 Y C 1.985 177.707 175.900 -0.297 0.000 1.165 336 Y CA 2.126 60.073 58.100 -0.255 0.000 1.148 336 Y CB -0.686 37.593 38.460 -0.302 0.000 0.972 336 Y HN 0.144 nan 8.280 nan 0.000 0.504 337 F N 1.209 120.675 119.950 -0.806 0.000 2.146 337 F HA -0.198 4.328 4.527 -0.001 0.000 0.298 337 F C 2.333 177.796 175.800 -0.562 0.000 1.096 337 F CA 2.100 59.609 58.000 -0.818 0.000 1.275 337 F CB -0.650 37.701 39.000 -1.081 0.000 1.008 337 F HN 0.177 nan 8.300 nan 0.000 0.480 338 Q N -0.720 118.818 119.800 -0.437 0.000 2.224 338 Q HA -0.155 4.185 4.340 -0.001 0.000 0.203 338 Q C 2.246 178.107 176.000 -0.233 0.000 0.970 338 Q CA 1.525 57.135 55.803 -0.321 0.000 0.865 338 Q CB -0.414 28.234 28.738 -0.151 0.000 0.922 338 Q HN 0.495 nan 8.270 nan 0.000 0.445 339 S N -0.140 115.393 115.700 -0.278 0.000 2.561 339 S HA 0.032 4.502 4.470 -0.001 0.000 0.225 339 S C 0.742 175.181 174.600 -0.267 0.000 0.977 339 S CA -0.151 57.916 58.200 -0.221 0.000 0.926 339 S CB -0.151 62.921 63.200 -0.214 0.000 0.769 339 S HN 0.160 nan 8.310 nan 0.000 0.533 340 L N 3.394 124.389 121.223 -0.380 0.000 2.349 340 L HA 0.439 4.779 4.340 -0.001 0.000 0.275 340 L C 0.326 177.132 176.870 -0.107 0.000 1.115 340 L CA -0.369 54.221 54.840 -0.417 0.000 0.820 340 L CB 0.425 42.083 42.059 -0.669 0.000 1.135 340 L HN 0.553 nan 8.230 nan 0.000 0.445 341 N N 2.152 120.708 118.700 -0.239 0.000 2.708 341 N HA 0.322 5.061 4.740 -0.001 0.000 0.257 341 N C -2.692 172.549 175.510 -0.449 0.000 1.373 341 N CA -1.545 51.337 53.050 -0.281 0.000 0.843 341 N CB 2.202 40.611 38.487 -0.130 0.000 1.503 341 N HN 0.121 nan 8.380 nan 0.000 0.504 342 P HA -0.152 nan 4.420 nan 0.000 0.223 342 P C 0.525 177.291 177.300 -0.890 0.000 1.144 342 P CA 1.355 63.986 63.100 -0.781 0.000 0.783 342 P CB -0.103 30.957 31.700 -1.067 0.000 0.771 343 Y N 1.578 121.622 120.300 -0.425 0.000 2.269 343 Y HA -0.067 4.483 4.550 -0.001 0.000 0.294 343 Y C 2.297 177.968 175.900 -0.381 0.000 1.120 343 Y CA 1.415 59.321 58.100 -0.324 0.000 1.159 343 Y CB -1.342 36.990 38.460 -0.214 0.000 1.024 343 Y HN 0.132 nan 8.280 nan 0.000 0.532 344 N N -1.197 117.360 118.700 -0.238 0.000 2.282 344 N HA -0.035 4.704 4.740 -0.001 0.000 0.185 344 N C 0.146 175.461 175.510 -0.325 0.000 1.099 344 N CA 0.363 53.278 53.050 -0.225 0.000 0.878 344 N CB -0.228 38.169 38.487 -0.151 0.000 0.993 344 N HN 0.007 nan 8.380 nan 0.000 0.481 345 N N 0.488 118.890 118.700 -0.497 0.000 3.131 345 N HA 0.061 4.801 4.740 -0.001 0.000 0.312 345 N C -0.134 175.160 175.510 -0.361 0.000 1.433 345 N CA -0.205 52.555 53.050 -0.483 0.000 1.141 345 N CB -0.366 37.605 38.487 -0.859 0.000 1.431 345 N HN 0.223 nan 8.380 nan 0.000 0.523 346 H N 0.100 119.104 119.070 -0.110 0.000 2.529 346 H HA 0.016 4.572 4.556 -0.001 0.000 0.277 346 H C 1.519 176.827 175.328 -0.033 0.000 0.999 346 H CA 0.655 56.665 56.048 -0.063 0.000 1.256 346 H CB 0.466 30.194 29.762 -0.056 0.000 1.402 346 H HN 0.574 nan 8.280 nan 0.000 0.566 347 R N 0.785 121.328 120.500 0.071 0.000 2.280 347 R HA -0.040 4.299 4.340 -0.001 0.000 0.207 347 R C 0.293 176.646 176.300 0.088 0.000 1.043 347 R CA 0.486 56.628 56.100 0.070 0.000 1.006 347 R CB 0.009 30.350 30.300 0.068 0.000 0.885 347 R HN -0.070 nan 8.270 nan 0.000 0.467 348 N N 2.134 120.892 118.700 0.097 0.000 2.609 348 N HA 0.142 4.882 4.740 -0.001 0.000 0.234 348 N C -1.899 173.724 175.510 0.189 0.000 1.001 348 N CA -2.722 50.452 53.050 0.207 0.000 0.926 348 N CB 1.603 40.240 38.487 0.250 0.000 1.130 348 N HN -0.027 nan 8.380 nan 0.000 0.510 349 P HA -0.050 nan 4.420 nan 0.000 0.231 349 P C 0.422 177.620 177.300 -0.171 0.000 1.158 349 P CA 0.923 63.897 63.100 -0.211 0.000 0.763 349 P CB 0.117 31.493 31.700 -0.540 0.000 0.805 350 W N -2.664 118.754 121.300 0.196 0.000 3.103 350 W HA 0.204 4.863 4.660 -0.001 0.000 0.325 350 W C 1.540 178.216 176.519 0.262 0.000 1.170 350 W CA -0.529 56.933 57.345 0.196 0.000 1.712 350 W CB -0.713 28.850 29.460 0.171 0.000 1.068 350 W HN -0.120 nan 8.180 nan 0.000 0.592 351 F N 2.081 122.238 119.950 0.345 0.000 2.134 351 F HA -0.183 4.344 4.527 -0.001 0.000 0.299 351 F C 2.380 178.402 175.800 0.370 0.000 1.097 351 F CA 1.806 60.016 58.000 0.350 0.000 1.264 351 F CB -0.165 38.953 39.000 0.197 0.000 1.001 351 F HN -0.261 nan 8.300 nan 0.000 0.479 352 R N -0.054 120.602 120.500 0.260 0.000 2.081 352 R HA -0.160 4.179 4.340 -0.001 0.000 0.235 352 R C 1.881 178.270 176.300 0.149 0.000 1.131 352 R CA 1.597 57.782 56.100 0.142 0.000 0.960 352 R CB -0.645 29.710 30.300 0.092 0.000 0.856 352 R HN 0.266 nan 8.270 nan 0.000 0.436 353 D N 0.370 120.877 120.400 0.178 0.000 2.117 353 D HA -0.175 4.465 4.640 -0.001 0.000 0.197 353 D C 1.603 177.978 176.300 0.125 0.000 0.987 353 D CA 0.973 55.067 54.000 0.157 0.000 0.829 353 D CB -0.281 40.641 40.800 0.203 0.000 0.961 353 D HN 0.091 nan 8.370 nan 0.000 0.460 354 F N 0.823 120.782 119.950 0.016 0.000 2.095 354 F HA -0.196 4.330 4.527 -0.001 0.000 0.298 354 F C 2.266 177.963 175.800 -0.172 0.000 1.104 354 F CA 1.442 59.385 58.000 -0.094 0.000 1.232 354 F CB -0.455 38.449 39.000 -0.159 0.000 0.987 354 F HN 0.050 nan 8.300 nan 0.000 0.475 355 W N 1.783 122.692 121.300 -0.652 0.000 2.332 355 W HA -0.232 4.427 4.660 -0.001 0.000 0.321 355 W C 2.233 178.570 176.519 -0.303 0.000 1.219 355 W CA 2.425 59.423 57.345 -0.578 0.000 1.277 355 W CB -0.669 28.617 29.460 -0.289 0.000 1.161 355 W HN 0.192 nan 8.180 nan 0.000 0.476 356 E N -0.293 119.946 120.200 0.066 0.000 2.118 356 E HA -0.322 4.028 4.350 -0.001 0.000 0.195 356 E C 2.124 178.666 176.600 -0.097 0.000 0.992 356 E CA 1.597 58.021 56.400 0.041 0.000 0.804 356 E CB -0.463 29.288 29.700 0.085 0.000 0.741 356 E HN 0.432 nan 8.360 nan 0.000 0.458 357 Q N 1.073 120.765 119.800 -0.180 0.000 2.137 357 Q HA -0.143 4.196 4.340 -0.001 0.000 0.198 357 Q C 2.148 177.941 176.000 -0.344 0.000 0.960 357 Q CA 1.007 56.691 55.803 -0.199 0.000 0.847 357 Q CB 0.115 28.774 28.738 -0.132 0.000 0.915 357 Q HN 0.032 nan 8.270 nan 0.000 0.448 358 K N -0.287 119.722 120.400 -0.650 0.000 2.026 358 K HA -0.127 4.193 4.320 -0.001 0.000 0.208 358 K C 1.157 177.253 176.600 -0.840 0.000 1.048 358 K CA 1.424 57.171 56.287 -0.901 0.000 0.929 358 K CB -0.076 31.470 32.500 -1.591 0.000 0.713 358 K HN 0.229 nan 8.250 nan 0.000 0.439 359 F N 1.101 120.765 119.950 -0.478 0.000 2.727 359 F HA 0.179 4.706 4.527 -0.001 0.000 0.302 359 F C 0.030 175.702 175.800 -0.214 0.000 1.097 359 F CA -0.455 57.328 58.000 -0.362 0.000 1.330 359 F CB 0.569 39.282 39.000 -0.479 0.000 1.084 359 F HN 0.011 nan 8.300 nan 0.000 0.578 360 Q N -0.556 119.203 119.800 -0.069 0.000 2.470 360 Q HA -0.212 4.128 4.340 -0.001 0.000 0.294 360 Q C 0.437 176.445 176.000 0.014 0.000 1.356 360 Q CA 0.386 56.165 55.803 -0.040 0.000 0.805 360 Q CB -2.298 26.418 28.738 -0.038 0.000 1.157 360 Q HN 0.483 nan 8.270 nan 0.000 0.431 361 c N -0.248 118.379 118.600 0.046 0.000 1.895 361 c HA 0.641 5.211 4.570 -0.001 0.000 0.267 361 c C 1.272 175.418 174.090 0.094 0.000 2.956 361 c CA 0.437 56.826 56.329 0.101 0.000 1.778 361 c CB 1.122 43.752 42.510 0.200 0.000 2.015 361 c HN 0.735 nan 8.230 nan 0.000 0.400 362 S N -1.484 114.287 115.700 0.118 0.000 2.925 362 S HA 0.277 4.747 4.470 -0.001 0.000 0.262 362 S C -0.640 174.012 174.600 0.087 0.000 0.725 362 S CA -0.606 57.654 58.200 0.100 0.000 0.871 362 S CB -0.279 62.978 63.200 0.094 0.000 1.096 362 S HN 0.487 nan 8.310 nan 0.000 0.551 363 L N 2.080 123.341 121.223 0.063 0.000 3.383 363 L HA 0.552 4.892 4.340 -0.001 0.000 0.169 363 L C 0.999 177.886 176.870 0.028 0.000 1.161 363 L CA 0.301 55.165 54.840 0.040 0.000 0.847 363 L CB -1.108 40.957 42.059 0.010 0.000 1.514 363 L HN 0.711 nan 8.230 nan 0.000 0.582 364 Q N -0.768 119.043 119.800 0.018 0.000 1.690 364 Q HA 0.153 4.493 4.340 -0.001 0.000 0.161 364 Q C -0.095 175.909 176.000 0.007 0.000 0.764 364 Q CA 0.101 55.910 55.803 0.010 0.000 0.793 364 Q CB 0.776 29.517 28.738 0.005 0.000 1.217 364 Q HN 0.365 nan 8.270 nan 0.000 0.372 365 N N 0.994 119.702 118.700 0.014 0.000 2.644 365 N HA 0.196 4.936 4.740 -0.001 0.000 0.313 365 N C -0.756 174.774 175.510 0.034 0.000 1.863 365 N CA 0.237 53.297 53.050 0.017 0.000 0.918 365 N CB 0.743 39.238 38.487 0.013 0.000 1.320 365 N HN 0.055 nan 8.380 nan 0.000 0.490 366 K N -0.021 120.397 120.400 0.031 0.000 2.367 366 K HA 0.431 4.750 4.320 -0.001 0.000 0.272 366 K C -0.477 176.122 176.600 -0.002 0.000 1.046 366 K CA -0.640 55.677 56.287 0.050 0.000 0.895 366 K CB 1.567 34.125 32.500 0.097 0.000 1.512 366 K HN -0.041 nan 8.250 nan 0.000 0.433 367 R N 1.088 121.577 120.500 -0.018 0.000 2.726 367 R HA 0.124 4.463 4.340 -0.001 0.000 0.272 367 R C -0.048 175.977 176.300 -0.459 0.000 1.097 367 R CA -0.298 55.654 56.100 -0.247 0.000 1.198 367 R CB -0.250 29.864 30.300 -0.311 0.000 1.114 367 R HN 0.598 nan 8.270 nan 0.000 0.550 368 N N 2.744 121.159 118.700 -0.476 0.000 2.991 368 N HA -0.060 4.680 4.740 -0.001 0.000 0.324 368 N C 0.047 175.347 175.510 -0.350 0.000 1.208 368 N CA 0.546 53.405 53.050 -0.318 0.000 1.190 368 N CB -0.144 38.228 38.487 -0.191 0.000 1.443 368 N HN 0.378 nan 8.380 nan 0.000 0.542 369 H N 0.428 119.503 119.070 0.010 0.000 3.678 369 H HA 0.555 5.111 4.556 -0.001 0.000 0.241 369 H C 0.675 176.009 175.328 0.010 0.000 1.605 369 H CA -0.199 55.855 56.048 0.009 0.000 1.577 369 H CB 1.161 30.928 29.762 0.009 0.000 0.844 369 H HN 0.104 nan 8.280 nan 0.000 0.817 370 R N -0.677 119.932 120.500 0.181 0.000 2.870 370 R HA 0.226 4.565 4.340 -0.001 0.000 0.262 370 R C -0.997 175.345 176.300 0.069 0.000 1.112 370 R CA -0.866 55.289 56.100 0.091 0.000 0.976 370 R CB 1.646 31.985 30.300 0.064 0.000 1.261 370 R HN 0.575 nan 8.270 nan 0.000 0.453 371 Q N 1.180 121.008 119.800 0.048 0.000 2.418 371 Q HA -0.123 4.217 4.340 -0.001 0.000 0.340 371 Q C -0.802 175.226 176.000 0.046 0.000 1.428 371 Q CA 0.018 55.844 55.803 0.038 0.000 0.874 371 Q CB -0.397 28.358 28.738 0.028 0.000 1.094 371 Q HN 0.464 nan 8.270 nan 0.000 0.334 372 V N 1.811 121.752 119.914 0.044 0.000 3.672 372 V HA 0.040 4.159 4.120 -0.001 0.000 0.301 372 V C 0.383 176.510 176.094 0.054 0.000 1.123 372 V CA 0.750 63.080 62.300 0.050 0.000 1.210 372 V CB 1.156 33.003 31.823 0.040 0.000 1.089 372 V HN 0.805 nan 8.190 nan 0.000 0.491 373 c N 3.489 122.131 118.600 0.069 0.000 2.382 373 c HA 0.418 4.988 4.570 -0.001 0.000 0.327 373 c C -0.195 173.935 174.090 0.067 0.000 1.250 373 c CA -0.843 55.534 56.329 0.080 0.000 1.707 373 c CB 0.747 43.344 42.510 0.145 0.000 2.272 373 c HN 1.024 nan 8.230 nan 0.000 0.506 374 D N 2.199 122.622 120.400 0.038 0.000 2.412 374 D HA 0.035 4.675 4.640 -0.001 0.000 0.257 374 D C 1.004 177.317 176.300 0.022 0.000 1.217 374 D CA 0.568 54.583 54.000 0.025 0.000 0.897 374 D CB 0.736 41.547 40.800 0.019 0.000 1.132 374 D HN 0.511 nan 8.370 nan 0.000 0.493 375 K N 2.503 122.872 120.400 -0.051 0.000 2.442 375 K HA -0.133 4.186 4.320 -0.001 0.000 0.198 375 K C 0.805 177.247 176.600 -0.263 0.000 1.044 375 K CA 0.736 56.940 56.287 -0.138 0.000 0.948 375 K CB 0.075 32.396 32.500 -0.298 0.000 0.762 375 K HN 0.570 nan 8.250 nan 0.000 0.472 376 H N -0.104 118.957 119.070 -0.015 0.000 2.551 376 H HA 0.097 4.653 4.556 -0.001 0.000 0.271 376 H C 0.242 175.548 175.328 -0.037 0.000 0.984 376 H CA -0.303 55.724 56.048 -0.035 0.000 1.164 376 H CB 0.169 29.904 29.762 -0.045 0.000 1.437 376 H HN 0.004 nan 8.280 nan 0.000 0.550 377 L N 1.375 122.614 121.223 0.026 0.000 2.483 377 L HA 0.306 4.645 4.340 -0.001 0.000 0.275 377 L C 0.398 177.246 176.870 -0.036 0.000 1.220 377 L CA 0.165 54.887 54.840 -0.197 0.000 0.833 377 L CB 0.330 42.095 42.059 -0.491 0.000 1.102 377 L HN 0.237 nan 8.230 nan 0.000 0.490 378 A N 3.966 126.679 122.820 -0.179 0.000 2.605 378 A HA 0.572 4.891 4.320 -0.001 0.000 0.294 378 A C -1.036 176.617 177.584 0.114 0.000 1.062 378 A CA -0.677 51.422 52.037 0.103 0.000 0.682 378 A CB 0.600 19.667 19.000 0.112 0.000 1.278 378 A HN 0.491 nan 8.150 nan 0.000 0.410 379 I N 2.443 123.124 120.570 0.186 0.000 2.436 379 I HA 0.388 4.558 4.170 -0.001 0.000 0.289 379 I C -0.133 176.028 176.117 0.074 0.000 1.083 379 I CA 0.386 61.751 61.300 0.108 0.000 1.372 379 I CB 0.389 38.325 38.000 -0.108 0.000 1.408 379 I HN 0.827 nan 8.210 nan 0.000 0.516 380 D N 2.050 122.541 120.400 0.151 0.000 2.759 380 D HA 0.172 4.812 4.640 -0.001 0.000 0.321 380 D C 0.681 177.125 176.300 0.240 0.000 1.267 380 D CA -0.512 53.583 54.000 0.160 0.000 0.933 380 D CB 0.559 41.418 40.800 0.098 0.000 1.431 380 D HN 0.298 nan 8.370 nan 0.000 0.504 381 S N -0.830 114.981 115.700 0.185 0.000 2.462 381 S HA -0.239 4.230 4.470 -0.001 0.000 0.243 381 S C 1.607 176.265 174.600 0.096 0.000 1.003 381 S CA 1.495 59.782 58.200 0.146 0.000 0.970 381 S CB -0.898 62.357 63.200 0.093 0.000 0.762 381 S HN 0.649 nan 8.310 nan 0.000 0.510 382 S N 1.995 117.751 115.700 0.094 0.000 2.503 382 S HA 0.085 4.555 4.470 -0.001 0.000 0.215 382 S C 1.036 175.675 174.600 0.066 0.000 1.003 382 S CA 0.219 58.455 58.200 0.060 0.000 0.910 382 S CB -0.426 62.800 63.200 0.044 0.000 0.790 382 S HN 0.752 nan 8.310 nan 0.000 0.514 383 N N -0.282 118.488 118.700 0.117 0.000 2.194 383 N HA 0.201 4.940 4.740 -0.001 0.000 0.231 383 N C -0.562 175.057 175.510 0.181 0.000 1.247 383 N CA -0.673 52.442 53.050 0.109 0.000 0.884 383 N CB -0.103 38.450 38.487 0.110 0.000 1.146 383 N HN 0.568 nan 8.380 nan 0.000 0.516 384 Y N 0.071 120.416 120.300 0.075 0.000 2.470 384 Y HA 0.614 5.164 4.550 -0.001 0.000 0.341 384 Y C -1.701 174.257 175.900 0.096 0.000 1.021 384 Y CA -1.105 57.069 58.100 0.123 0.000 1.025 384 Y CB 1.693 40.283 38.460 0.216 0.000 1.266 384 Y HN 0.085 nan 8.280 nan 0.000 0.448 385 E N 4.960 124.755 120.200 -0.676 0.000 2.263 385 E HA 0.209 4.559 4.350 -0.001 0.000 0.268 385 E C -1.477 174.693 176.600 -0.717 0.000 0.884 385 E CA -0.944 55.015 56.400 -0.735 0.000 0.766 385 E CB 1.760 31.294 29.700 -0.278 0.000 1.196 385 E HN 0.850 nan 8.360 nan 0.000 0.416 386 Q N 3.176 122.577 119.800 -0.665 0.000 2.283 386 Q HA -0.077 4.263 4.340 -0.001 0.000 0.301 386 Q C -0.131 175.815 176.000 -0.090 0.000 1.063 386 Q CA 0.265 55.979 55.803 -0.149 0.000 0.952 386 Q CB 0.727 29.489 28.738 0.041 0.000 1.166 386 Q HN 0.457 nan 8.270 nan 0.000 0.381 387 E N 2.480 122.657 120.200 -0.038 0.000 2.413 387 E HA -0.084 4.265 4.350 -0.001 0.000 0.263 387 E C 0.330 176.893 176.600 -0.062 0.000 1.015 387 E CA 0.320 56.683 56.400 -0.062 0.000 0.916 387 E CB 1.319 30.980 29.700 -0.063 0.000 0.947 387 E HN 0.865 nan 8.360 nan 0.000 0.440 388 S N 3.660 119.323 115.700 -0.061 0.000 2.392 388 S HA -0.178 4.291 4.470 -0.001 0.000 0.232 388 S C 1.175 175.803 174.600 0.046 0.000 1.041 388 S CA 1.628 59.811 58.200 -0.027 0.000 1.026 388 S CB 0.100 63.271 63.200 -0.049 0.000 0.845 388 S HN 0.465 nan 8.310 nan 0.000 0.465 389 K N 0.325 120.778 120.400 0.089 0.000 2.387 389 K HA 0.220 4.540 4.320 -0.001 0.000 0.198 389 K C 1.326 177.975 176.600 0.083 0.000 1.022 389 K CA -0.251 56.188 56.287 0.254 0.000 1.128 389 K CB 0.145 32.864 32.500 0.366 0.000 0.853 389 K HN 0.315 nan 8.250 nan 0.000 0.523 390 I N 1.758 122.269 120.570 -0.099 0.000 2.185 390 I HA -0.363 3.807 4.170 -0.001 0.000 0.246 390 I C 2.336 178.327 176.117 -0.209 0.000 1.088 390 I CA 1.684 62.832 61.300 -0.253 0.000 1.347 390 I CB -0.792 36.950 38.000 -0.429 0.000 1.041 390 I HN 0.372 nan 8.210 nan 0.000 0.415 391 M N 0.116 119.569 119.600 -0.245 0.000 2.108 391 M HA -0.289 4.191 4.480 -0.001 0.000 0.257 391 M C 2.380 178.530 176.300 -0.249 0.000 1.071 391 M CA 2.164 57.288 55.300 -0.293 0.000 1.093 391 M CB -0.241 32.066 32.600 -0.490 0.000 1.345 391 M HN 0.072 nan 8.290 nan 0.000 0.403 392 F N -1.087 118.902 119.950 0.064 0.000 2.259 392 F HA -0.153 4.373 4.527 -0.001 0.000 0.298 392 F C 2.163 178.074 175.800 0.184 0.000 1.088 392 F CA 0.672 58.748 58.000 0.127 0.000 1.358 392 F CB -0.594 38.500 39.000 0.157 0.000 1.040 392 F HN -0.061 nan 8.300 nan 0.000 0.505 393 V N -0.421 119.644 119.914 0.250 0.000 2.307 393 V HA -0.237 3.882 4.120 -0.001 0.000 0.245 393 V C 2.268 178.474 176.094 0.187 0.000 1.045 393 V CA 1.496 63.882 62.300 0.144 0.000 1.024 393 V CB -0.579 31.147 31.823 -0.162 0.000 0.651 393 V HN 0.146 nan 8.190 nan 0.000 0.449 394 V N 0.746 120.740 119.914 0.134 0.000 2.295 394 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 394 V C 2.315 178.602 176.094 0.321 0.000 1.049 394 V CA 2.233 64.685 62.300 0.254 0.000 1.024 394 V CB -0.960 31.018 31.823 0.257 0.000 0.648 394 V HN 0.556 nan 8.190 nan 0.000 0.447 395 N N 0.566 119.396 118.700 0.217 0.000 2.223 395 N HA -0.114 4.626 4.740 -0.001 0.000 0.185 395 N C 1.834 177.526 175.510 0.303 0.000 1.016 395 N CA 1.614 54.793 53.050 0.216 0.000 0.863 395 N CB -0.550 38.016 38.487 0.130 0.000 0.983 395 N HN 0.516 nan 8.380 nan 0.000 0.429 396 A N 0.509 123.526 122.820 0.328 0.000 1.898 396 A HA -0.064 4.256 4.320 -0.001 0.000 0.216 396 A C 2.448 180.202 177.584 0.284 0.000 1.181 396 A CA 1.259 53.499 52.037 0.339 0.000 0.620 396 A CB -0.708 18.507 19.000 0.359 0.000 0.819 396 A HN 0.103 nan 8.150 nan 0.000 0.442 397 V N -1.659 118.417 119.914 0.270 0.000 2.358 397 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 397 V C 2.341 178.511 176.094 0.127 0.000 1.047 397 V CA 1.828 64.229 62.300 0.169 0.000 1.035 397 V CB -1.041 30.870 31.823 0.148 0.000 0.658 397 V HN 0.638 nan 8.190 nan 0.000 0.452 398 Y N 0.568 120.958 120.300 0.150 0.000 2.293 398 Y HA -0.083 4.466 4.550 -0.001 0.000 0.291 398 Y C 2.486 178.552 175.900 0.277 0.000 1.137 398 Y CA 1.124 59.333 58.100 0.181 0.000 1.202 398 Y CB -0.714 37.862 38.460 0.194 0.000 0.990 398 Y HN 0.181 nan 8.280 nan 0.000 0.537 399 A N -0.332 122.730 122.820 0.404 0.000 1.883 399 A HA -0.282 4.037 4.320 -0.001 0.000 0.217 399 A C 2.238 180.015 177.584 0.321 0.000 1.186 399 A CA 2.125 54.423 52.037 0.435 0.000 0.624 399 A CB -0.822 18.543 19.000 0.607 0.000 0.822 399 A HN 0.436 nan 8.150 nan 0.000 0.444 400 M N -0.001 119.664 119.600 0.108 0.000 2.086 400 M HA -0.054 4.425 4.480 -0.001 0.000 0.261 400 M C 2.202 178.496 176.300 -0.009 0.000 1.067 400 M CA 1.775 57.011 55.300 -0.108 0.000 1.116 400 M CB -0.541 31.982 32.600 -0.130 0.000 1.348 400 M HN 0.408 nan 8.290 nan 0.000 0.407 401 A N -0.705 122.116 122.820 0.002 0.000 1.865 401 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 401 A C 2.167 179.765 177.584 0.023 0.000 1.191 401 A CA 2.078 54.076 52.037 -0.066 0.000 0.623 401 A CB -1.441 17.406 19.000 -0.255 0.000 0.826 401 A HN 0.695 nan 8.150 nan 0.000 0.444 402 H N -0.569 118.555 119.070 0.091 0.000 2.352 402 H HA -0.118 4.437 4.556 -0.001 0.000 0.299 402 H C 2.583 178.018 175.328 0.177 0.000 1.097 402 H CA 1.595 57.736 56.048 0.156 0.000 1.311 402 H CB -0.374 29.490 29.762 0.171 0.000 1.377 402 H HN 0.541 nan 8.280 nan 0.000 0.504 403 A N 1.054 124.043 122.820 0.282 0.000 1.877 403 A HA -0.138 4.181 4.320 -0.001 0.000 0.216 403 A C 2.727 180.387 177.584 0.128 0.000 1.186 403 A CA 1.222 53.386 52.037 0.211 0.000 0.620 403 A CB -0.930 18.172 19.000 0.168 0.000 0.822 403 A HN 0.281 nan 8.150 nan 0.000 0.443 404 L N -1.612 119.660 121.223 0.082 0.000 2.083 404 L HA -0.204 4.136 4.340 -0.001 0.000 0.209 404 L C 2.623 179.535 176.870 0.070 0.000 1.083 404 L CA 1.724 56.595 54.840 0.052 0.000 0.752 404 L CB -0.609 41.462 42.059 0.020 0.000 0.899 404 L HN 0.652 nan 8.230 nan 0.000 0.433 405 H N 0.420 119.500 119.070 0.016 0.000 2.321 405 H HA -0.215 4.341 4.556 -0.001 0.000 0.300 405 H C 2.311 177.666 175.328 0.045 0.000 1.087 405 H CA 2.038 58.094 56.048 0.015 0.000 1.319 405 H CB 0.113 29.870 29.762 -0.007 0.000 1.379 405 H HN 0.098 nan 8.280 nan 0.000 0.501 406 K N -0.194 120.233 120.400 0.046 0.000 2.063 406 K HA -0.193 4.126 4.320 -0.001 0.000 0.208 406 K C 2.403 178.979 176.600 -0.041 0.000 1.048 406 K CA 1.746 58.033 56.287 -0.001 0.000 0.928 406 K CB -0.209 32.351 32.500 0.100 0.000 0.713 406 K HN 0.403 nan 8.250 nan 0.000 0.442 407 M N 0.882 120.480 119.600 -0.003 0.000 2.159 407 M HA -0.234 4.246 4.480 -0.001 0.000 0.263 407 M C 2.197 178.474 176.300 -0.038 0.000 1.063 407 M CA 1.990 57.288 55.300 -0.005 0.000 1.110 407 M CB -0.101 32.512 32.600 0.021 0.000 1.374 407 M HN 0.206 nan 8.290 nan 0.000 0.411 408 Q N 0.333 120.091 119.800 -0.071 0.000 2.119 408 Q HA -0.144 4.196 4.340 -0.001 0.000 0.201 408 Q C 1.724 177.657 176.000 -0.112 0.000 0.972 408 Q CA 1.721 57.477 55.803 -0.080 0.000 0.847 408 Q CB -0.507 28.189 28.738 -0.071 0.000 0.903 408 Q HN 0.395 nan 8.270 nan 0.000 0.433 409 R N -0.033 120.349 120.500 -0.197 0.000 2.115 409 R HA -0.003 4.336 4.340 -0.001 0.000 0.230 409 R C 2.182 178.438 176.300 -0.075 0.000 1.111 409 R CA 1.684 57.691 56.100 -0.156 0.000 0.976 409 R CB -0.953 29.221 30.300 -0.210 0.000 0.870 409 R HN 0.425 nan 8.270 nan 0.000 0.445 410 T N 1.540 116.058 114.554 -0.060 0.000 2.812 410 T HA 0.037 4.387 4.350 -0.001 0.000 0.264 410 T C 1.908 176.598 174.700 -0.017 0.000 1.042 410 T CA 0.877 62.961 62.100 -0.027 0.000 1.140 410 T CB 0.018 68.878 68.868 -0.013 0.000 0.870 410 T HN 0.132 nan 8.240 nan 0.000 0.445 411 L N -0.178 121.035 121.223 -0.017 0.000 2.513 411 L HA 0.230 4.570 4.340 -0.001 0.000 0.222 411 L C 0.433 177.297 176.870 -0.010 0.000 1.096 411 L CA 0.169 55.004 54.840 -0.008 0.000 0.857 411 L CB 0.315 42.374 42.059 -0.001 0.000 1.026 411 L HN 0.219 nan 8.230 nan 0.000 0.469 412 c N 1.109 119.698 118.600 -0.019 0.000 3.075 412 c HA 0.259 4.829 4.570 -0.001 0.000 0.262 412 c C -0.802 173.278 174.090 -0.018 0.000 1.371 412 c CA -0.951 55.368 56.329 -0.015 0.000 1.594 412 c CB -0.113 42.387 42.510 -0.017 0.000 1.849 412 c HN 0.195 nan 8.230 nan 0.000 0.475 413 P HA -0.142 nan 4.420 nan 0.000 0.225 413 P C 1.037 178.335 177.300 -0.003 0.000 1.148 413 P CA 1.456 64.550 63.100 -0.010 0.000 0.779 413 P CB 0.399 32.096 31.700 -0.005 0.000 0.780 414 Q N -0.300 119.499 119.800 -0.002 0.000 2.402 414 Q HA 0.069 4.408 4.340 -0.001 0.000 0.206 414 Q C 0.762 176.764 176.000 0.003 0.000 0.919 414 Q CA 0.800 56.604 55.803 0.002 0.000 0.923 414 Q CB 0.407 29.147 28.738 0.002 0.000 1.048 414 Q HN 0.352 nan 8.270 nan 0.000 0.515 415 T N -4.091 110.463 114.554 0.001 0.000 2.812 415 T HA 0.228 4.577 4.350 -0.001 0.000 0.294 415 T C 0.639 175.341 174.700 0.003 0.000 1.159 415 T CA -0.391 61.711 62.100 0.003 0.000 1.008 415 T CB 1.407 70.276 68.868 0.002 0.000 1.289 415 T HN 0.010 nan 8.240 nan 0.000 0.514 416 T N -2.052 112.507 114.554 0.008 0.000 3.107 416 T HA 0.310 4.660 4.350 -0.001 0.000 0.249 416 T C 0.371 175.077 174.700 0.010 0.000 1.096 416 T CA -0.174 61.935 62.100 0.015 0.000 1.012 416 T CB -0.356 68.525 68.868 0.021 0.000 0.977 416 T HN 0.565 nan 8.240 nan 0.000 0.527 417 K N 0.695 121.097 120.400 0.003 0.000 2.139 417 K HA 0.423 4.743 4.320 -0.001 0.000 0.243 417 K C -0.454 176.146 176.600 -0.000 0.000 0.983 417 K CA -1.114 55.174 56.287 0.002 0.000 0.890 417 K CB 0.987 33.488 32.500 0.000 0.000 1.090 417 K HN -0.010 nan 8.250 nan 0.000 0.445 418 L N 4.076 125.300 121.223 0.001 0.000 2.574 418 L HA -0.004 4.335 4.340 -0.001 0.000 0.281 418 L C 0.529 177.400 176.870 0.002 0.000 1.212 418 L CA 0.274 55.115 54.840 0.001 0.000 1.082 418 L CB -1.488 40.573 42.059 0.002 0.000 1.362 418 L HN 0.783 nan 8.230 nan 0.000 0.451 419 c N 2.138 120.738 118.600 0.000 0.000 2.713 419 c HA 0.114 4.684 4.570 -0.001 0.000 0.330 419 c C 1.896 175.989 174.090 0.004 0.000 1.416 419 c CA -0.845 55.485 56.329 0.002 0.000 2.351 419 c CB 0.360 42.870 42.510 0.000 0.000 2.388 419 c HN 0.745 nan 8.230 nan 0.000 0.729 420 D N 0.545 120.948 120.400 0.005 0.000 2.144 420 D HA -0.077 4.563 4.640 -0.001 0.000 0.199 420 D C 2.311 178.616 176.300 0.009 0.000 0.984 420 D CA 2.003 56.007 54.000 0.007 0.000 0.834 420 D CB -0.482 40.322 40.800 0.007 0.000 0.955 420 D HN 0.819 nan 8.370 nan 0.000 0.465 421 A N 0.370 123.195 122.820 0.008 0.000 2.125 421 A HA -0.093 4.226 4.320 -0.001 0.000 0.219 421 A C 1.982 179.574 177.584 0.013 0.000 1.156 421 A CA 0.934 52.978 52.037 0.011 0.000 0.671 421 A CB -0.231 18.774 19.000 0.008 0.000 0.794 421 A HN 0.139 nan 8.150 nan 0.000 0.459 422 M N -2.011 117.595 119.600 0.011 0.000 2.333 422 M HA 0.113 4.592 4.480 -0.001 0.000 0.257 422 M C 1.309 177.618 176.300 0.015 0.000 1.078 422 M CA 0.289 55.596 55.300 0.013 0.000 1.005 422 M CB 0.330 32.934 32.600 0.007 0.000 1.444 422 M HN 0.178 nan 8.290 nan 0.000 0.496 423 K N 2.006 122.414 120.400 0.014 0.000 2.063 423 K HA -0.011 4.309 4.320 -0.001 0.000 0.208 423 K C 0.779 177.391 176.600 0.020 0.000 1.048 423 K CA 1.004 57.300 56.287 0.015 0.000 0.928 423 K CB -0.093 32.416 32.500 0.014 0.000 0.713 423 K HN 0.492 nan 8.250 nan 0.000 0.442 424 I N -0.830 119.754 120.570 0.024 0.000 2.437 424 I HA 0.294 4.464 4.170 -0.001 0.000 0.279 424 I C -0.803 175.336 176.117 0.036 0.000 1.028 424 I CA -0.902 60.416 61.300 0.031 0.000 1.142 424 I CB 1.076 39.095 38.000 0.031 0.000 1.266 424 I HN -0.235 nan 8.210 nan 0.000 0.461 425 L N 4.371 125.618 121.223 0.039 0.000 2.483 425 L HA 0.139 4.479 4.340 -0.001 0.000 0.276 425 L C 0.481 177.388 176.870 0.063 0.000 1.213 425 L CA 0.236 55.105 54.840 0.047 0.000 0.843 425 L CB 0.247 42.335 42.059 0.047 0.000 1.107 425 L HN 0.671 nan 8.230 nan 0.000 0.487 426 D N 1.944 122.386 120.400 0.070 0.000 2.456 426 D HA 0.126 4.766 4.640 -0.001 0.000 0.219 426 D C 1.021 177.396 176.300 0.126 0.000 1.126 426 D CA -0.153 53.900 54.000 0.088 0.000 0.890 426 D CB 1.666 42.511 40.800 0.075 0.000 1.025 426 D HN 0.641 nan 8.370 nan 0.000 0.511 427 G N 4.106 113.002 108.800 0.159 0.000 2.440 427 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.218 427 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.218 427 G C 1.412 176.525 174.900 0.355 0.000 1.154 427 G CA 0.837 46.084 45.100 0.244 0.000 0.767 427 G HN 0.517 nan 8.290 nan 0.000 0.552 428 K N 0.197 120.803 120.400 0.343 0.000 2.009 428 K HA -0.135 4.185 4.320 -0.001 0.000 0.210 428 K C 2.525 179.208 176.600 0.138 0.000 1.049 428 K CA 1.624 58.054 56.287 0.239 0.000 0.929 428 K CB -0.146 32.480 32.500 0.209 0.000 0.714 428 K HN 0.109 nan 8.250 nan 0.000 0.440 429 K N 0.774 121.248 120.400 0.124 0.000 1.991 429 K HA -0.165 4.154 4.320 -0.001 0.000 0.212 429 K C 1.968 178.629 176.600 0.102 0.000 1.049 429 K CA 1.408 57.749 56.287 0.089 0.000 0.932 429 K CB -0.648 31.896 32.500 0.073 0.000 0.717 429 K HN 0.134 nan 8.250 nan 0.000 0.441 430 L N 0.080 121.380 121.223 0.127 0.000 2.021 430 L HA -0.247 4.093 4.340 -0.001 0.000 0.215 430 L C 2.017 179.001 176.870 0.190 0.000 1.074 430 L CA 1.896 56.817 54.840 0.136 0.000 0.760 430 L CB -0.902 41.233 42.059 0.127 0.000 0.889 430 L HN 0.363 nan 8.230 nan 0.000 0.433 431 Y N 0.633 120.973 120.300 0.067 0.000 2.333 431 Y HA -0.135 4.415 4.550 -0.001 0.000 0.290 431 Y C 1.178 177.084 175.900 0.011 0.000 1.144 431 Y CA 1.374 59.508 58.100 0.056 0.000 1.228 431 Y CB -0.049 38.301 38.460 -0.182 0.000 0.985 431 Y HN 0.266 nan 8.280 nan 0.000 0.542 432 K N 0.447 120.828 120.400 -0.032 0.000 3.082 432 K HA 0.181 4.500 4.320 -0.001 0.000 0.203 432 K C 0.043 176.624 176.600 -0.032 0.000 1.177 432 K CA 0.159 56.386 56.287 -0.101 0.000 1.041 432 K CB 0.670 33.142 32.500 -0.047 0.000 1.312 432 K HN 0.226 nan 8.250 nan 0.000 0.526 433 E N -0.583 119.616 120.200 -0.001 0.000 2.490 433 E HA -0.017 4.332 4.350 -0.001 0.000 0.184 433 E C 0.171 176.835 176.600 0.107 0.000 0.927 433 E CA 0.069 56.496 56.400 0.047 0.000 1.387 433 E CB 0.270 30.011 29.700 0.069 0.000 1.570 433 E HN 0.358 nan 8.360 nan 0.000 0.762 434 Y N 0.198 120.447 120.300 -0.085 0.000 2.581 434 Y HA 0.371 4.920 4.550 -0.001 0.000 0.271 434 Y C 1.186 177.016 175.900 -0.117 0.000 1.100 434 Y CA 0.362 58.418 58.100 -0.074 0.000 1.281 434 Y CB 0.134 38.524 38.460 -0.117 0.000 1.237 434 Y HN 0.045 nan 8.280 nan 0.000 0.514 435 L N 0.257 121.133 121.223 -0.578 0.000 2.141 435 L HA -0.132 4.207 4.340 -0.001 0.000 0.209 435 L C 1.609 178.360 176.870 -0.198 0.000 1.094 435 L CA 1.134 55.617 54.840 -0.595 0.000 0.763 435 L CB -0.273 41.441 42.059 -0.575 0.000 0.908 435 L HN 0.251 nan 8.230 nan 0.000 0.437 436 L N -0.581 120.561 121.223 -0.135 0.000 2.591 436 L HA 0.005 4.345 4.340 -0.001 0.000 0.228 436 L C 0.685 177.535 176.870 -0.032 0.000 1.133 436 L CA -0.180 54.619 54.840 -0.069 0.000 0.880 436 L CB -0.384 41.643 42.059 -0.054 0.000 1.033 436 L HN -0.012 nan 8.230 nan 0.000 0.450 437 K N 1.978 122.381 120.400 0.005 0.000 2.412 437 K HA 0.337 4.657 4.320 -0.001 0.000 0.281 437 K C -0.666 175.887 176.600 -0.079 0.000 1.027 437 K CA 0.478 56.781 56.287 0.026 0.000 0.989 437 K CB 0.300 32.900 32.500 0.167 0.000 0.935 437 K HN 0.033 nan 8.250 nan 0.000 0.475 438 I N 5.313 125.815 120.570 -0.113 0.000 2.534 438 I HA 0.221 4.391 4.170 -0.001 0.000 0.286 438 I C -0.723 175.256 176.117 -0.230 0.000 1.094 438 I CA -0.723 60.457 61.300 -0.200 0.000 1.055 438 I CB 1.657 39.553 38.000 -0.174 0.000 1.225 438 I HN 0.613 nan 8.210 nan 0.000 0.435 439 Q N 6.528 126.132 119.800 -0.326 0.000 2.482 439 Q HA 0.432 4.772 4.340 -0.001 0.000 0.286 439 Q C -2.041 173.742 176.000 -0.363 0.000 1.007 439 Q CA -0.651 54.954 55.803 -0.329 0.000 0.801 439 Q CB 2.341 30.728 28.738 -0.586 0.000 1.455 439 Q HN 0.362 nan 8.270 nan 0.000 0.398 440 F N 1.268 121.108 119.950 -0.184 0.000 2.467 440 F HA 0.216 4.743 4.527 -0.001 0.000 0.362 440 F C 0.945 176.639 175.800 -0.176 0.000 1.090 440 F CA 0.276 58.183 58.000 -0.155 0.000 1.202 440 F CB 1.138 40.062 39.000 -0.126 0.000 1.113 440 F HN 0.410 nan 8.300 nan 0.000 0.541 441 T N 3.743 118.260 114.554 -0.062 0.000 2.723 441 T HA 0.077 4.426 4.350 -0.001 0.000 0.260 441 T C 0.465 175.031 174.700 -0.222 0.000 1.019 441 T CA 0.169 62.193 62.100 -0.126 0.000 1.155 441 T CB -0.133 68.670 68.868 -0.108 0.000 1.024 441 T HN 0.830 nan 8.240 nan 0.000 0.491 442 A N 7.017 129.589 122.820 -0.413 0.000 2.610 442 A HA 0.041 4.361 4.320 -0.001 0.000 0.250 442 A C -0.233 176.835 177.584 -0.860 0.000 0.978 442 A CA -0.699 50.789 52.037 -0.915 0.000 0.827 442 A CB -0.466 17.649 19.000 -1.475 0.000 0.867 442 A HN 0.691 nan 8.150 nan 0.000 0.495 443 P HA -0.295 nan 4.420 nan 0.000 0.236 443 P C 0.811 177.915 177.300 -0.327 0.000 1.136 443 P CA 2.368 65.142 63.100 -0.543 0.000 0.948 443 P CB -0.386 30.977 31.700 -0.561 0.000 0.766 444 F N -2.329 117.600 119.950 -0.036 0.000 2.649 444 F HA -0.102 4.424 4.527 -0.001 0.000 0.293 444 F C 1.212 177.008 175.800 -0.006 0.000 1.210 444 F CA -0.058 57.954 58.000 0.021 0.000 1.486 444 F CB -0.878 38.172 39.000 0.083 0.000 1.121 444 F HN 0.023 nan 8.300 nan 0.000 0.616 445 N N 1.666 120.383 118.700 0.029 0.000 2.461 445 N HA 0.197 4.936 4.740 -0.001 0.000 0.284 445 N C -2.776 172.718 175.510 -0.026 0.000 1.049 445 N CA -1.725 51.320 53.050 -0.007 0.000 0.889 445 N CB 2.074 40.530 38.487 -0.053 0.000 1.365 445 N HN -0.190 nan 8.380 nan 0.000 0.499 446 P HA 0.069 nan 4.420 nan 0.000 0.271 446 P C 0.006 177.277 177.300 -0.049 0.000 1.233 446 P CA -0.019 63.063 63.100 -0.031 0.000 0.789 446 P CB 0.664 32.350 31.700 -0.024 0.000 0.951 447 N N 0.624 119.297 118.700 -0.045 0.000 6.224 447 N HA -0.275 4.465 4.740 -0.001 0.000 0.381 447 N C -0.445 175.055 175.510 -0.017 0.000 0.928 447 N CA 1.628 54.652 53.050 -0.043 0.000 1.356 447 N CB -1.336 37.124 38.487 -0.043 0.000 0.788 447 N HN 0.650 nan 8.380 nan 0.000 0.448 448 K N -2.304 118.106 120.400 0.017 0.000 2.614 448 K HA 0.248 4.568 4.320 -0.001 0.000 0.192 448 K C 1.129 177.814 176.600 0.141 0.000 1.398 448 K CA 0.211 56.592 56.287 0.157 0.000 1.074 448 K CB 0.723 33.280 32.500 0.095 0.000 1.182 448 K HN 0.573 nan 8.250 nan 0.000 0.604 449 G N 1.055 109.880 108.800 0.042 0.000 2.492 449 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.214 449 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.214 449 G C 1.043 175.939 174.900 -0.005 0.000 1.147 449 G CA 0.456 45.568 45.100 0.020 0.000 0.809 449 G HN 0.208 nan 8.290 nan 0.000 0.533 450 A N 1.183 123.985 122.820 -0.030 0.000 2.810 450 A HA 0.309 4.629 4.320 -0.001 0.000 0.247 450 A C 0.750 178.302 177.584 -0.054 0.000 1.576 450 A CA 0.216 52.223 52.037 -0.050 0.000 1.294 450 A CB -0.820 18.125 19.000 -0.093 0.000 0.976 450 A HN 0.369 nan 8.150 nan 0.000 0.631 451 D N 0.728 121.101 120.400 -0.045 0.000 2.894 451 D HA -0.159 4.481 4.640 -0.001 0.000 0.216 451 D C 0.310 176.549 176.300 -0.103 0.000 1.245 451 D CA 1.106 55.058 54.000 -0.079 0.000 0.728 451 D CB -0.686 40.067 40.800 -0.078 0.000 0.924 451 D HN 0.602 nan 8.370 nan 0.000 0.395 452 S N 1.157 116.800 115.700 -0.096 0.000 2.704 452 S HA 0.355 4.825 4.470 -0.001 0.000 0.241 452 S C 0.867 175.356 174.600 -0.185 0.000 1.264 452 S CA -0.862 57.275 58.200 -0.105 0.000 1.236 452 S CB -0.421 62.744 63.200 -0.059 0.000 0.928 452 S HN 0.451 nan 8.310 nan 0.000 0.492 453 I N -1.020 119.379 120.570 -0.285 0.000 2.441 453 I HA 0.788 4.958 4.170 -0.001 0.000 0.295 453 I C -0.235 175.693 176.117 -0.315 0.000 0.994 453 I CA -1.488 59.549 61.300 -0.439 0.000 1.144 453 I CB 1.944 39.584 38.000 -0.602 0.000 1.314 453 I HN 0.062 nan 8.210 nan 0.000 0.445 454 V N 5.085 124.809 119.914 -0.318 0.000 2.427 454 V HA 0.784 4.903 4.120 -0.001 0.000 0.286 454 V C -0.402 175.434 176.094 -0.431 0.000 1.034 454 V CA -0.013 62.096 62.300 -0.320 0.000 0.893 454 V CB 1.177 32.863 31.823 -0.227 0.000 0.982 454 V HN 1.125 nan 8.190 nan 0.000 0.452 455 K N 4.322 124.376 120.400 -0.577 0.000 2.617 455 K HA 0.657 4.976 4.320 -0.001 0.000 0.293 455 K C -1.834 174.266 176.600 -0.832 0.000 1.034 455 K CA -0.905 55.014 56.287 -0.613 0.000 0.884 455 K CB 1.515 33.819 32.500 -0.327 0.000 1.541 455 K HN 0.486 nan 8.250 nan 0.000 0.409 456 F N 0.387 120.232 119.950 -0.175 0.000 2.577 456 F HA 0.347 4.873 4.527 -0.001 0.000 0.318 456 F C 0.094 175.809 175.800 -0.142 0.000 1.065 456 F CA -0.739 57.162 58.000 -0.164 0.000 0.929 456 F CB 1.677 40.519 39.000 -0.264 0.000 1.237 456 F HN 0.514 nan 8.300 nan 0.000 0.468 457 D N -0.248 120.223 120.400 0.118 0.000 2.273 457 D HA 0.063 4.703 4.640 -0.001 0.000 0.247 457 D C 1.461 177.715 176.300 -0.077 0.000 1.313 457 D CA 0.703 54.706 54.000 0.005 0.000 0.974 457 D CB 0.403 41.254 40.800 0.086 0.000 1.157 457 D HN 0.689 nan 8.370 nan 0.000 0.533 458 T N -2.814 111.575 114.554 -0.274 0.000 3.014 458 T HA -0.022 4.327 4.350 -0.001 0.000 0.263 458 T C 1.757 176.339 174.700 -0.197 0.000 1.078 458 T CA 0.661 62.576 62.100 -0.309 0.000 1.135 458 T CB -0.448 68.122 68.868 -0.497 0.000 0.895 458 T HN 0.325 nan 8.240 nan 0.000 0.480 459 F N 1.718 121.713 119.950 0.075 0.000 2.615 459 F HA 0.380 4.907 4.527 -0.001 0.000 0.297 459 F C 2.092 177.974 175.800 0.137 0.000 1.124 459 F CA 0.038 58.106 58.000 0.114 0.000 1.451 459 F CB -0.069 39.009 39.000 0.129 0.000 1.103 459 F HN 0.419 nan 8.300 nan 0.000 0.569 460 G N 0.575 109.508 108.800 0.222 0.000 2.131 460 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.223 460 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.223 460 G C -0.431 174.627 174.900 0.263 0.000 0.990 460 G CA -0.202 44.967 45.100 0.115 0.000 0.671 460 G HN 0.262 nan 8.290 nan 0.000 0.521 461 D N -0.227 120.367 120.400 0.323 0.000 2.487 461 D HA 0.666 5.305 4.640 -0.001 0.000 0.262 461 D C 0.932 177.371 176.300 0.231 0.000 1.130 461 D CA 0.517 54.699 54.000 0.303 0.000 1.038 461 D CB 1.244 42.236 40.800 0.320 0.000 1.142 461 D HN 0.428 nan 8.370 nan 0.000 0.575 462 G N -0.585 108.300 108.800 0.142 0.000 2.667 462 G HA2 0.455 4.414 3.960 -0.001 0.000 0.310 462 G HA3 0.455 4.414 3.960 -0.001 0.000 0.310 462 G C -0.112 174.787 174.900 -0.003 0.000 1.259 462 G CA -0.650 44.469 45.100 0.031 0.000 1.019 462 G HN 0.162 nan 8.290 nan 0.000 0.496 463 M N 1.147 120.721 119.600 -0.043 0.000 2.252 463 M HA 0.183 4.663 4.480 -0.001 0.000 0.348 463 M C 1.073 177.303 176.300 -0.117 0.000 1.334 463 M CA -0.600 54.655 55.300 -0.075 0.000 1.071 463 M CB 0.276 32.840 32.600 -0.059 0.000 1.763 463 M HN 0.494 nan 8.290 nan 0.000 0.452 464 G N 5.577 114.262 108.800 -0.192 0.000 2.865 464 G HA2 0.339 4.298 3.960 -0.001 0.000 0.292 464 G HA3 0.339 4.298 3.960 -0.001 0.000 0.292 464 G C 0.029 174.887 174.900 -0.069 0.000 0.800 464 G CA -0.562 44.421 45.100 -0.194 0.000 1.838 464 G HN 0.477 nan 8.290 nan 0.000 0.535 465 R N 1.643 121.994 120.500 -0.249 0.000 2.437 465 R HA 0.473 4.813 4.340 -0.001 0.000 0.310 465 R C -1.355 174.782 176.300 -0.272 0.000 0.955 465 R CA -0.956 55.103 56.100 -0.069 0.000 0.851 465 R CB 1.289 31.596 30.300 0.011 0.000 1.161 465 R HN 0.436 nan 8.270 nan 0.000 0.446 466 Y N 0.315 120.794 120.300 0.300 0.000 2.536 466 Y HA 0.449 4.998 4.550 -0.001 0.000 0.347 466 Y C 0.314 176.354 175.900 0.233 0.000 1.000 466 Y CA -1.020 57.230 58.100 0.249 0.000 1.051 466 Y CB 1.945 40.537 38.460 0.220 0.000 1.259 466 Y HN 0.342 nan 8.280 nan 0.000 0.468 467 N N 0.442 119.348 118.700 0.343 0.000 2.314 467 N HA 0.558 5.297 4.740 -0.001 0.000 0.304 467 N C -1.451 174.121 175.510 0.102 0.000 1.073 467 N CA -0.574 52.568 53.050 0.153 0.000 0.822 467 N CB 2.479 40.978 38.487 0.020 0.000 1.280 467 N HN 0.298 nan 8.380 nan 0.000 0.489 468 V N 2.474 122.346 119.914 -0.069 0.000 2.427 468 V HA 0.532 4.651 4.120 -0.001 0.000 0.286 468 V C -0.442 175.488 176.094 -0.274 0.000 1.034 468 V CA -0.446 61.831 62.300 -0.039 0.000 0.893 468 V CB 0.263 32.090 31.823 0.006 0.000 0.982 468 V HN 0.433 nan 8.190 nan 0.000 0.452 469 F N 2.298 122.250 119.950 0.003 0.000 2.579 469 F HA 0.510 5.036 4.527 -0.001 0.000 0.324 469 F C 0.276 176.065 175.800 -0.019 0.000 1.058 469 F CA -0.686 57.325 58.000 0.018 0.000 0.944 469 F CB 1.834 40.875 39.000 0.068 0.000 1.245 469 F HN 0.458 nan 8.300 nan 0.000 0.477 470 N N 1.611 120.405 118.700 0.158 0.000 2.346 470 N HA 0.400 5.139 4.740 -0.001 0.000 0.289 470 N C -1.904 173.580 175.510 -0.043 0.000 1.027 470 N CA -0.711 52.310 53.050 -0.048 0.000 0.864 470 N CB 1.475 39.831 38.487 -0.219 0.000 1.370 470 N HN 0.532 nan 8.380 nan 0.000 0.481 471 L N 3.305 124.452 121.223 -0.126 0.000 2.369 471 L HA 0.267 4.607 4.340 -0.001 0.000 0.279 471 L C -0.219 176.497 176.870 -0.257 0.000 1.108 471 L CA 0.621 55.302 54.840 -0.265 0.000 0.852 471 L CB 0.428 42.349 42.059 -0.229 0.000 1.169 471 L HN 0.625 nan 8.230 nan 0.000 0.452 472 Q N 2.894 122.602 119.800 -0.153 0.000 2.852 472 Q HA 0.435 4.775 4.340 -0.001 0.000 0.262 472 Q C -0.464 175.665 176.000 0.215 0.000 1.051 472 Q CA -0.713 55.092 55.803 0.003 0.000 0.894 472 Q CB 1.520 30.161 28.738 -0.160 0.000 1.381 472 Q HN 0.611 nan 8.270 nan 0.000 0.501 473 Q N -0.103 119.872 119.800 0.292 0.000 1.818 473 Q HA -0.031 4.308 4.340 -0.001 0.000 0.183 473 Q C 1.034 177.118 176.000 0.141 0.000 0.734 473 Q CA 1.066 56.998 55.803 0.216 0.000 0.833 473 Q CB 0.352 29.231 28.738 0.236 0.000 1.217 473 Q HN 0.958 nan 8.270 nan 0.000 0.401 474 T N -0.937 113.722 114.554 0.175 0.000 2.575 474 T HA -0.269 4.080 4.350 -0.001 0.000 0.228 474 T C 1.205 175.957 174.700 0.086 0.000 1.332 474 T CA 2.196 64.388 62.100 0.154 0.000 1.074 474 T CB -1.357 67.596 68.868 0.141 0.000 0.806 474 T HN 0.416 nan 8.240 nan 0.000 0.475 475 G N 0.303 109.135 108.800 0.054 0.000 3.717 475 G HA2 0.488 4.448 3.960 -0.001 0.000 0.258 475 G HA3 0.488 4.448 3.960 -0.001 0.000 0.258 475 G C 1.198 176.107 174.900 0.016 0.000 1.088 475 G CA 0.006 45.124 45.100 0.029 0.000 1.737 475 G HN 1.469 nan 8.290 nan 0.000 0.648 476 G N 0.387 109.204 108.800 0.029 0.000 2.623 476 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.241 476 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.241 476 G C 0.773 175.691 174.900 0.030 0.000 1.114 476 G CA 0.986 46.101 45.100 0.026 0.000 0.682 476 G HN 0.823 nan 8.290 nan 0.000 0.524 477 K N 0.604 120.994 120.400 -0.018 0.000 2.098 477 K HA 0.576 4.895 4.320 -0.001 0.000 0.258 477 K C -0.072 176.483 176.600 -0.075 0.000 0.973 477 K CA -0.905 55.307 56.287 -0.126 0.000 0.898 477 K CB 0.564 32.937 32.500 -0.212 0.000 1.057 477 K HN 0.418 nan 8.250 nan 0.000 0.447 478 Y N -0.011 120.296 120.300 0.010 0.000 2.326 478 Y HA 0.525 5.075 4.550 -0.001 0.000 0.337 478 Y C -0.610 175.254 175.900 -0.061 0.000 1.023 478 Y CA -0.728 57.367 58.100 -0.009 0.000 1.143 478 Y CB 1.270 39.728 38.460 -0.003 0.000 1.183 478 Y HN 0.308 nan 8.280 nan 0.000 0.485 479 S N 1.625 117.314 115.700 -0.018 0.000 2.638 479 S HA 0.507 4.976 4.470 -0.001 0.000 0.274 479 S C -1.798 172.719 174.600 -0.138 0.000 1.157 479 S CA -1.111 57.055 58.200 -0.057 0.000 0.826 479 S CB 0.974 64.164 63.200 -0.018 0.000 1.139 479 S HN 0.555 nan 8.310 nan 0.000 0.474 480 Y N 1.131 121.476 120.300 0.076 0.000 2.328 480 Y HA 0.635 5.184 4.550 -0.001 0.000 0.337 480 Y C -0.305 175.726 175.900 0.219 0.000 1.008 480 Y CA -0.676 57.496 58.100 0.120 0.000 1.129 480 Y CB 1.031 39.495 38.460 0.007 0.000 1.185 480 Y HN 0.424 nan 8.280 nan 0.000 0.476 481 L N 4.596 126.001 121.223 0.303 0.000 2.317 481 L HA 0.461 4.801 4.340 -0.001 0.000 0.281 481 L C -0.369 176.547 176.870 0.076 0.000 1.024 481 L CA -0.984 53.954 54.840 0.163 0.000 0.810 481 L CB 1.285 43.330 42.059 -0.024 0.000 1.240 481 L HN 0.521 nan 8.230 nan 0.000 0.427 482 K N 3.910 124.239 120.400 -0.118 0.000 2.338 482 K HA 0.265 4.585 4.320 -0.001 0.000 0.290 482 K C 0.269 176.714 176.600 -0.258 0.000 1.069 482 K CA 0.012 55.990 56.287 -0.515 0.000 0.941 482 K CB 0.526 32.727 32.500 -0.500 0.000 1.023 482 K HN 0.648 nan 8.250 nan 0.000 0.477 483 V N 1.065 120.836 119.914 -0.238 0.000 3.214 483 V HA 0.507 4.626 4.120 -0.001 0.000 0.330 483 V C 0.381 176.428 176.094 -0.079 0.000 1.403 483 V CA 0.361 62.588 62.300 -0.122 0.000 1.143 483 V CB -0.217 31.538 31.823 -0.113 0.000 1.098 483 V HN 0.886 nan 8.190 nan 0.000 0.463 484 G N -0.075 108.674 108.800 -0.085 0.000 2.333 484 G HA2 0.475 4.435 3.960 -0.001 0.000 0.288 484 G HA3 0.475 4.435 3.960 -0.001 0.000 0.288 484 G C -1.162 173.798 174.900 0.100 0.000 1.286 484 G CA -0.077 45.021 45.100 -0.003 0.000 0.865 484 G HN 1.401 nan 8.290 nan 0.000 0.506 485 H N -2.618 116.449 119.070 -0.004 0.000 2.969 485 H HA 0.459 5.015 4.556 -0.001 0.000 0.304 485 H C -2.426 173.018 175.328 0.192 0.000 1.400 485 H CA -1.128 54.968 56.048 0.080 0.000 1.182 485 H CB 0.980 30.760 29.762 0.031 0.000 1.865 485 H HN 1.013 nan 8.280 nan 0.000 0.512 486 W N 1.837 123.225 121.300 0.147 0.000 2.543 486 W HA 0.680 5.339 4.660 -0.001 0.000 0.318 486 W C -0.429 176.216 176.519 0.210 0.000 1.002 486 W CA 0.237 57.648 57.345 0.110 0.000 1.302 486 W CB 1.477 31.024 29.460 0.145 0.000 1.299 486 W HN 0.902 nan 8.180 nan 0.000 0.424 487 A N 2.832 125.514 122.820 -0.231 0.000 1.909 487 A HA 0.157 4.476 4.320 -0.001 0.000 0.209 487 A C 1.368 178.574 177.584 -0.630 0.000 1.247 487 A CA 1.394 53.311 52.037 -0.201 0.000 0.660 487 A CB 0.190 19.139 19.000 -0.086 0.000 0.910 487 A HN 0.652 nan 8.150 nan 0.000 0.465 488 E N -1.915 117.690 120.200 -0.991 0.000 2.626 488 E HA 0.083 4.433 4.350 -0.001 0.000 0.198 488 E C -0.494 175.513 176.600 -0.988 0.000 0.943 488 E CA 0.691 56.514 56.400 -0.961 0.000 1.515 488 E CB 0.970 30.453 29.700 -0.361 0.000 1.677 488 E HN 0.571 nan 8.360 nan 0.000 0.897 489 T N -1.127 112.862 114.554 -0.943 0.000 2.900 489 T HA 0.494 4.843 4.350 -0.001 0.000 0.303 489 T C -0.484 173.890 174.700 -0.544 0.000 1.142 489 T CA -0.894 60.895 62.100 -0.518 0.000 1.007 489 T CB 1.862 70.587 68.868 -0.238 0.000 1.156 489 T HN 0.030 nan 8.240 nan 0.000 0.490 490 L N 1.525 122.671 121.223 -0.128 0.000 2.476 490 L HA 0.674 5.013 4.340 -0.001 0.000 0.264 490 L C 0.263 177.002 176.870 -0.219 0.000 1.224 490 L CA 1.040 55.880 54.840 -0.000 0.000 0.821 490 L CB 1.040 43.150 42.059 0.085 0.000 1.101 490 L HN 1.185 nan 8.230 nan 0.000 0.488 491 S N 4.301 119.828 115.700 -0.289 0.000 2.511 491 S HA 0.584 5.053 4.470 -0.001 0.000 0.283 491 S C -1.610 172.789 174.600 -0.335 0.000 1.078 491 S CA -0.590 57.385 58.200 -0.374 0.000 0.994 491 S CB -0.303 62.567 63.200 -0.549 0.000 1.171 491 S HN 1.039 nan 8.310 nan 0.000 0.444 492 L N 1.705 122.775 121.223 -0.256 0.000 2.611 492 L HA 0.638 4.978 4.340 -0.001 0.000 0.260 492 L C -1.198 175.621 176.870 -0.084 0.000 0.924 492 L CA -0.967 53.786 54.840 -0.146 0.000 0.901 492 L CB 1.887 43.876 42.059 -0.117 0.000 1.369 492 L HN 0.587 nan 8.230 nan 0.000 0.415 493 D N 3.121 123.514 120.400 -0.012 0.000 2.402 493 D HA 0.097 4.736 4.640 -0.001 0.000 0.235 493 D C 1.143 177.501 176.300 0.096 0.000 1.226 493 D CA -0.470 53.552 54.000 0.037 0.000 0.918 493 D CB 1.934 42.758 40.800 0.039 0.000 1.043 493 D HN 0.451 nan 8.370 nan 0.000 0.506 494 V N 2.425 122.440 119.914 0.168 0.000 2.527 494 V HA -0.298 3.822 4.120 -0.001 0.000 0.255 494 V C 1.847 178.110 176.094 0.280 0.000 1.081 494 V CA 1.757 64.259 62.300 0.336 0.000 1.092 494 V CB -0.422 31.681 31.823 0.467 0.000 0.673 494 V HN 0.536 nan 8.190 nan 0.000 0.470 495 D N 0.769 121.284 120.400 0.192 0.000 2.144 495 D HA -0.123 4.517 4.640 -0.001 0.000 0.199 495 D C 2.355 178.743 176.300 0.146 0.000 0.984 495 D CA 1.898 55.997 54.000 0.165 0.000 0.834 495 D CB -0.156 40.717 40.800 0.121 0.000 0.955 495 D HN 0.664 nan 8.370 nan 0.000 0.465 496 S N 0.123 115.889 115.700 0.111 0.000 2.561 496 S HA -0.004 4.466 4.470 -0.001 0.000 0.225 496 S C 1.165 175.823 174.600 0.095 0.000 0.977 496 S CA -0.102 58.160 58.200 0.103 0.000 0.926 496 S CB -0.284 62.941 63.200 0.041 0.000 0.769 496 S HN 0.149 nan 8.310 nan 0.000 0.533 497 I N 3.167 123.745 120.570 0.013 0.000 2.452 497 I HA 0.139 4.309 4.170 -0.001 0.000 0.287 497 I C -0.267 175.722 176.117 -0.213 0.000 1.079 497 I CA -0.315 60.840 61.300 -0.241 0.000 1.387 497 I CB 0.211 37.862 38.000 -0.583 0.000 1.404 497 I HN 0.134 nan 8.210 nan 0.000 0.522 498 H N 5.586 124.395 119.070 -0.434 0.000 2.741 498 H HA 0.228 4.784 4.556 -0.001 0.000 0.282 498 H C -0.726 174.361 175.328 -0.403 0.000 1.122 498 H CA -0.940 54.950 56.048 -0.264 0.000 1.293 498 H CB 0.033 29.737 29.762 -0.096 0.000 1.415 498 H HN 0.424 nan 8.280 nan 0.000 0.472 499 W N 1.236 122.576 121.300 0.067 0.000 2.129 499 W HA 0.264 4.924 4.660 -0.001 0.000 0.349 499 W C 0.927 177.473 176.519 0.045 0.000 1.279 499 W CA -0.636 56.713 57.345 0.006 0.000 1.306 499 W CB 0.598 30.079 29.460 0.036 0.000 1.140 499 W HN 0.351 nan 8.180 nan 0.000 0.613 500 S N 1.333 117.220 115.700 0.311 0.000 2.531 500 S HA 0.419 4.888 4.470 -0.001 0.000 0.279 500 S C 0.892 175.648 174.600 0.261 0.000 1.305 500 S CA 0.432 58.809 58.200 0.294 0.000 1.058 500 S CB 0.327 63.637 63.200 0.184 0.000 0.899 500 S HN 1.172 nan 8.310 nan 0.000 0.493 501 R N 3.493 124.147 120.500 0.256 0.000 3.532 501 R HA -0.176 4.164 4.340 -0.001 0.000 0.284 501 R C 0.564 176.959 176.300 0.158 0.000 1.140 501 R CA 1.319 57.512 56.100 0.155 0.000 0.768 501 R CB -3.343 27.010 30.300 0.087 0.000 1.252 501 R HN 1.044 nan 8.270 nan 0.000 0.454 502 N N -1.939 116.893 118.700 0.220 0.000 2.629 502 N HA -0.178 4.562 4.740 -0.001 0.000 0.246 502 N C 0.002 175.624 175.510 0.186 0.000 1.176 502 N CA 1.993 55.162 53.050 0.198 0.000 0.809 502 N CB -0.745 37.815 38.487 0.122 0.000 1.175 502 N HN 1.425 nan 8.380 nan 0.000 0.577 503 S N -0.306 115.495 115.700 0.167 0.000 2.557 503 S HA 0.379 4.848 4.470 -0.001 0.000 0.291 503 S C -0.225 174.339 174.600 -0.061 0.000 1.116 503 S CA -0.597 57.649 58.200 0.077 0.000 0.992 503 S CB 2.074 65.295 63.200 0.034 0.000 1.028 503 S HN 0.114 nan 8.310 nan 0.000 0.484 504 V N 7.349 127.107 119.914 -0.260 0.000 2.486 504 V HA 0.213 4.332 4.120 -0.001 0.000 0.290 504 V C -2.199 173.647 176.094 -0.414 0.000 0.991 504 V CA -0.954 60.855 62.300 -0.818 0.000 1.142 504 V CB -0.256 31.252 31.823 -0.525 0.000 0.926 504 V HN 0.801 nan 8.190 nan 0.000 0.472 505 P HA 0.075 nan 4.420 nan 0.000 0.268 505 P C -0.608 176.737 177.300 0.075 0.000 1.189 505 P CA 0.496 63.510 63.100 -0.143 0.000 0.771 505 P CB 0.213 31.749 31.700 -0.273 0.000 0.822 506 T N 1.149 115.724 114.554 0.034 0.000 2.812 506 T HA 0.427 4.776 4.350 -0.001 0.000 0.282 506 T C -0.305 174.447 174.700 0.086 0.000 0.990 506 T CA -0.396 61.777 62.100 0.123 0.000 0.960 506 T CB 0.709 69.619 68.868 0.070 0.000 0.948 506 T HN 0.167 nan 8.240 nan 0.000 0.438 507 S N 3.614 119.436 115.700 0.203 0.000 2.216 507 S HA 0.335 4.804 4.470 -0.001 0.000 0.156 507 S C -0.778 173.989 174.600 0.277 0.000 1.665 507 S CA -0.567 57.723 58.200 0.150 0.000 1.262 507 S CB 0.048 63.233 63.200 -0.025 0.000 1.207 507 S HN 0.666 nan 8.310 nan 0.000 0.427 508 Q N 0.840 120.775 119.800 0.227 0.000 2.387 508 Q HA 0.357 4.697 4.340 -0.001 0.000 0.273 508 Q C 0.763 176.727 176.000 -0.061 0.000 1.089 508 Q CA -0.758 55.153 55.803 0.181 0.000 0.824 508 Q CB 1.608 30.465 28.738 0.199 0.000 1.367 508 Q HN 0.576 nan 8.270 nan 0.000 0.443 509 c N 1.139 119.511 118.600 -0.379 0.000 2.413 509 c HA -0.030 4.539 4.570 -0.001 0.000 0.276 509 c C 0.819 174.435 174.090 -0.790 0.000 1.236 509 c CA 0.859 56.562 56.329 -1.042 0.000 1.735 509 c CB -0.092 41.862 42.510 -0.926 0.000 2.031 509 c HN 0.719 nan 8.230 nan 0.000 0.474 510 S N -0.101 115.013 115.700 -0.976 0.000 2.599 510 S HA 0.442 4.911 4.470 -0.001 0.000 0.294 510 S C -1.212 172.933 174.600 -0.760 0.000 1.094 510 S CA -0.495 57.116 58.200 -0.982 0.000 0.931 510 S CB 1.627 64.003 63.200 -1.372 0.000 1.093 510 S HN 0.485 nan 8.310 nan 0.000 0.488 511 D N 3.251 123.422 120.400 -0.381 0.000 2.423 511 D HA 0.207 4.847 4.640 -0.001 0.000 0.238 511 D C -2.048 174.337 176.300 0.142 0.000 1.142 511 D CA -0.285 53.658 54.000 -0.093 0.000 0.884 511 D CB 0.180 40.944 40.800 -0.060 0.000 1.199 511 D HN 0.185 nan 8.370 nan 0.000 0.438 512 P HA 0.060 nan 4.420 nan 0.000 0.271 512 P C -0.472 176.934 177.300 0.178 0.000 1.218 512 P CA -0.483 62.779 63.100 0.271 0.000 0.780 512 P CB 0.608 32.394 31.700 0.143 0.000 0.901 513 c N 1.910 120.599 118.600 0.148 0.000 2.657 513 c HA 0.458 5.027 4.570 -0.001 0.000 0.404 513 c C 1.403 175.503 174.090 0.016 0.000 1.291 513 c CA -0.198 56.174 56.329 0.072 0.000 2.218 513 c CB 0.050 42.569 42.510 0.014 0.000 2.687 513 c HN 0.664 nan 8.230 nan 0.000 0.634 514 A N 4.803 127.627 122.820 0.006 0.000 2.445 514 A HA 0.394 4.713 4.320 -0.001 0.000 0.242 514 A C -0.685 176.884 177.584 -0.026 0.000 1.075 514 A CA -0.604 51.428 52.037 -0.007 0.000 0.777 514 A CB -0.045 18.951 19.000 -0.007 0.000 1.013 514 A HN 0.785 nan 8.150 nan 0.000 0.493 515 P HA -0.154 nan 4.420 nan 0.000 0.210 515 P C 0.797 178.074 177.300 -0.039 0.000 1.192 515 P CA 1.074 64.152 63.100 -0.037 0.000 0.913 515 P CB -0.195 31.490 31.700 -0.025 0.000 0.774 516 N N 0.690 119.375 118.700 -0.025 0.000 2.269 516 N HA -0.226 4.514 4.740 -0.001 0.000 0.199 516 N C 0.937 176.419 175.510 -0.047 0.000 0.984 516 N CA 2.190 55.226 53.050 -0.025 0.000 0.910 516 N CB -0.162 38.319 38.487 -0.011 0.000 1.002 516 N HN 0.482 nan 8.380 nan 0.000 0.465 517 E N -1.734 118.432 120.200 -0.057 0.000 2.895 517 E HA 0.178 4.527 4.350 -0.001 0.000 0.254 517 E C 0.208 176.758 176.600 -0.084 0.000 1.139 517 E CA -0.229 56.122 56.400 -0.081 0.000 1.832 517 E CB -0.443 29.208 29.700 -0.081 0.000 2.683 517 E HN 0.010 nan 8.360 nan 0.000 1.040 518 M N 2.550 122.113 119.600 -0.061 0.000 2.219 518 M HA 0.043 4.522 4.480 -0.001 0.000 0.340 518 M C 0.261 176.515 176.300 -0.076 0.000 1.135 518 M CA 0.856 56.125 55.300 -0.051 0.000 0.976 518 M CB -0.460 32.128 32.600 -0.019 0.000 1.713 518 M HN 0.133 nan 8.290 nan 0.000 0.457 519 K N 1.593 121.951 120.400 -0.070 0.000 2.340 519 K HA 0.451 4.771 4.320 -0.001 0.000 0.244 519 K C -0.797 175.758 176.600 -0.074 0.000 0.973 519 K CA -1.004 55.222 56.287 -0.101 0.000 0.828 519 K CB 1.595 34.044 32.500 -0.084 0.000 1.226 519 K HN 0.482 nan 8.250 nan 0.000 0.437 520 N N 2.117 120.719 118.700 -0.163 0.000 2.472 520 N HA 0.194 4.933 4.740 -0.001 0.000 0.277 520 N C -1.069 174.500 175.510 0.097 0.000 1.081 520 N CA -0.062 52.899 53.050 -0.149 0.000 0.973 520 N CB 0.614 38.768 38.487 -0.556 0.000 1.105 520 N HN 0.535 nan 8.380 nan 0.000 0.470 521 M N 2.913 122.617 119.600 0.174 0.000 2.151 521 M HA 0.210 4.689 4.480 -0.001 0.000 0.290 521 M C -0.786 175.646 176.300 0.220 0.000 0.965 521 M CA -0.675 54.729 55.300 0.173 0.000 0.930 521 M CB 1.805 34.474 32.600 0.115 0.000 1.560 521 M HN 0.271 nan 8.290 nan 0.000 0.438 522 Q N 4.292 124.189 119.800 0.162 0.000 2.322 522 Q HA 0.375 4.714 4.340 -0.001 0.000 0.256 522 Q C -1.614 174.437 176.000 0.086 0.000 0.960 522 Q CA -1.275 54.617 55.803 0.148 0.000 0.934 522 Q CB 1.319 30.102 28.738 0.075 0.000 1.200 522 Q HN 0.495 nan 8.270 nan 0.000 0.435 523 P HA -0.020 nan 4.420 nan 0.000 0.206 523 P C 0.650 177.967 177.300 0.028 0.000 1.093 523 P CA 0.625 63.751 63.100 0.045 0.000 0.703 523 P CB 0.188 31.909 31.700 0.034 0.000 0.622 524 G N -0.685 108.129 108.800 0.022 0.000 2.608 524 G HA2 0.001 3.961 3.960 -0.001 0.000 0.210 524 G HA3 0.001 3.961 3.960 -0.001 0.000 0.210 524 G C 0.745 175.656 174.900 0.019 0.000 1.139 524 G CA 0.291 45.400 45.100 0.015 0.000 0.812 524 G HN 0.590 nan 8.290 nan 0.000 0.529 525 D N -0.087 120.330 120.400 0.029 0.000 2.475 525 D HA 0.233 4.872 4.640 -0.001 0.000 0.286 525 D C 0.935 177.265 176.300 0.051 0.000 1.205 525 D CA 0.422 54.444 54.000 0.037 0.000 1.092 525 D CB 1.037 41.862 40.800 0.042 0.000 1.147 525 D HN 0.417 nan 8.370 nan 0.000 0.575 526 V N -4.172 115.782 119.914 0.067 0.000 3.172 526 V HA 0.308 4.428 4.120 -0.001 0.000 0.343 526 V C 0.430 176.606 176.094 0.137 0.000 1.429 526 V CA -0.459 61.890 62.300 0.081 0.000 1.149 526 V CB -0.637 31.212 31.823 0.044 0.000 1.106 526 V HN 0.637 nan 8.190 nan 0.000 0.526 527 c N -0.730 117.965 118.600 0.158 0.000 3.480 527 c HA 0.456 5.026 4.570 -0.001 0.000 0.480 527 c C 1.086 175.295 174.090 0.198 0.000 1.410 527 c CA 0.162 56.612 56.329 0.202 0.000 2.172 527 c CB -0.019 42.577 42.510 0.144 0.000 3.162 527 c HN 0.691 nan 8.230 nan 0.000 0.635 528 c N 1.317 119.971 118.600 0.090 0.000 2.397 528 c HA 0.816 5.386 4.570 -0.001 0.000 0.343 528 c C -0.546 173.639 174.090 0.158 0.000 1.188 528 c CA -0.470 55.802 56.329 -0.095 0.000 1.992 528 c CB -0.109 42.289 42.510 -0.186 0.000 2.358 528 c HN 0.789 nan 8.230 nan 0.000 0.518 529 W N 1.114 122.386 121.300 -0.047 0.000 3.059 529 W HA 0.755 5.415 4.660 -0.001 0.000 0.329 529 W C -1.690 174.812 176.519 -0.028 0.000 1.246 529 W CA -1.268 56.067 57.345 -0.017 0.000 1.190 529 W CB -0.106 29.365 29.460 0.017 0.000 1.423 529 W HN 0.746 nan 8.180 nan 0.000 0.571 530 I N -0.028 120.691 120.570 0.248 0.000 2.797 530 I HA 0.790 4.960 4.170 -0.001 0.000 0.307 530 I C -0.846 175.414 176.117 0.237 0.000 1.033 530 I CA -1.091 60.287 61.300 0.129 0.000 1.071 530 I CB 1.883 39.916 38.000 0.056 0.000 1.255 530 I HN 0.485 nan 8.210 nan 0.000 0.445 531 c N 5.446 124.132 118.600 0.144 0.000 2.251 531 c HA 0.554 5.123 4.570 -0.001 0.000 0.323 531 c C 0.090 174.206 174.090 0.043 0.000 1.241 531 c CA -0.484 55.913 56.329 0.113 0.000 1.601 531 c CB -0.173 42.399 42.510 0.104 0.000 2.251 531 c HN 0.418 nan 8.230 nan 0.000 0.488 532 I N 6.981 127.564 120.570 0.023 0.000 2.307 532 I HA 0.299 4.469 4.170 -0.001 0.000 0.289 532 I C -1.660 174.436 176.117 -0.034 0.000 1.021 532 I CA -2.672 58.624 61.300 -0.007 0.000 1.224 532 I CB 0.848 38.843 38.000 -0.009 0.000 1.376 532 I HN 0.361 nan 8.210 nan 0.000 0.470 533 P HA 0.125 nan 4.420 nan 0.000 0.271 533 P C -0.457 176.786 177.300 -0.094 0.000 1.233 533 P CA -0.133 62.930 63.100 -0.062 0.000 0.789 533 P CB 1.112 32.782 31.700 -0.050 0.000 0.951 534 c N 0.204 118.725 118.600 -0.131 0.000 2.505 534 c HA 0.368 4.937 4.570 -0.001 0.000 0.358 534 c C 0.445 174.376 174.090 -0.266 0.000 1.226 534 c CA -0.600 55.614 56.329 -0.193 0.000 1.900 534 c CB 0.852 43.235 42.510 -0.211 0.000 2.306 534 c HN 0.525 nan 8.230 nan 0.000 0.512 535 E N 2.712 122.666 120.200 -0.410 0.000 2.414 535 E HA 0.062 4.412 4.350 -0.001 0.000 0.263 535 E C -1.426 174.777 176.600 -0.662 0.000 1.000 535 E CA -1.395 54.624 56.400 -0.635 0.000 0.914 535 E CB 0.164 29.114 29.700 -1.251 0.000 0.948 535 E HN 0.433 nan 8.360 nan 0.000 0.444 536 P HA -0.187 nan 4.420 nan 0.000 0.222 536 P C 0.696 177.430 177.300 -0.944 0.000 1.142 536 P CA 1.474 64.329 63.100 -0.409 0.000 0.788 536 P CB -0.122 31.575 31.700 -0.004 0.000 0.767 537 Y N -1.596 118.278 120.300 -0.711 0.000 2.457 537 Y HA 0.478 5.027 4.550 -0.001 0.000 0.263 537 Y C 0.518 176.145 175.900 -0.454 0.000 1.164 537 Y CA -1.281 56.309 58.100 -0.851 0.000 1.274 537 Y CB -0.745 37.530 38.460 -0.308 0.000 1.097 537 Y HN -0.109 nan 8.280 nan 0.000 0.523 538 E N 0.913 120.808 120.200 -0.509 0.000 2.227 538 E HA 0.377 4.726 4.350 -0.001 0.000 0.268 538 E C -1.349 175.148 176.600 -0.171 0.000 0.990 538 E CA -1.209 55.037 56.400 -0.257 0.000 0.856 538 E CB 1.542 31.042 29.700 -0.333 0.000 1.159 538 E HN 0.402 nan 8.360 nan 0.000 0.401 539 Y N -1.105 119.069 120.300 -0.210 0.000 2.634 539 Y HA 0.546 5.096 4.550 -0.001 0.000 0.340 539 Y C -1.284 174.539 175.900 -0.127 0.000 1.058 539 Y CA -1.550 56.443 58.100 -0.177 0.000 1.081 539 Y CB 0.570 38.938 38.460 -0.154 0.000 1.295 539 Y HN 0.216 nan 8.280 nan 0.000 0.487 540 L N 3.017 124.139 121.223 -0.168 0.000 2.302 540 L HA 0.255 4.594 4.340 -0.001 0.000 0.285 540 L C 0.705 177.409 176.870 -0.276 0.000 1.090 540 L CA -0.317 54.372 54.840 -0.251 0.000 0.866 540 L CB 0.646 42.631 42.059 -0.125 0.000 1.244 540 L HN 0.862 nan 8.230 nan 0.000 0.435 541 V N 1.540 121.133 119.914 -0.535 0.000 3.026 541 V HA -0.099 4.021 4.120 -0.001 0.000 0.265 541 V C 0.341 176.384 176.094 -0.085 0.000 1.121 541 V CA 1.313 63.437 62.300 -0.294 0.000 1.142 541 V CB -1.343 30.297 31.823 -0.305 0.000 0.730 541 V HN 0.999 nan 8.190 nan 0.000 0.503 542 D N -3.908 116.428 120.400 -0.107 0.000 2.912 542 D HA 0.021 4.661 4.640 -0.001 0.000 0.263 542 D C 0.521 176.732 176.300 -0.148 0.000 1.152 542 D CA -0.300 53.661 54.000 -0.066 0.000 0.728 542 D CB 0.287 41.102 40.800 0.025 0.000 1.337 542 D HN -0.085 nan 8.370 nan 0.000 0.435 543 E N -0.188 119.845 120.200 -0.278 0.000 2.197 543 E HA -0.271 4.079 4.350 -0.001 0.000 0.205 543 E C 0.614 176.843 176.600 -0.617 0.000 1.029 543 E CA 1.845 57.910 56.400 -0.558 0.000 0.828 543 E CB -0.145 29.001 29.700 -0.924 0.000 0.737 543 E HN 0.545 nan 8.360 nan 0.000 0.464 544 F N -0.693 119.173 119.950 -0.140 0.000 2.746 544 F HA 0.204 4.731 4.527 -0.001 0.000 0.297 544 F C 0.622 176.351 175.800 -0.118 0.000 1.113 544 F CA 0.098 58.019 58.000 -0.130 0.000 1.367 544 F CB 0.708 39.635 39.000 -0.121 0.000 1.111 544 F HN -0.253 nan 8.300 nan 0.000 0.590 545 T N 0.281 114.848 114.554 0.021 0.000 2.861 545 T HA 0.411 4.761 4.350 -0.001 0.000 0.287 545 T C -0.944 173.660 174.700 -0.160 0.000 1.003 545 T CA -0.685 61.383 62.100 -0.053 0.000 0.977 545 T CB 1.775 70.616 68.868 -0.046 0.000 0.996 545 T HN -0.106 nan 8.240 nan 0.000 0.448 546 c N 3.810 122.312 118.600 -0.164 0.000 2.358 546 c HA 0.811 5.381 4.570 -0.001 0.000 0.342 546 c C 0.021 173.965 174.090 -0.243 0.000 1.234 546 c CA -0.607 55.581 56.329 -0.235 0.000 1.969 546 c CB 0.399 42.796 42.510 -0.189 0.000 2.346 546 c HN 0.885 nan 8.230 nan 0.000 0.525 547 M N 2.455 121.849 119.600 -0.344 0.000 2.433 547 M HA 0.280 4.760 4.480 -0.001 0.000 0.290 547 M C -1.392 174.855 176.300 -0.088 0.000 1.173 547 M CA -0.354 54.808 55.300 -0.229 0.000 0.905 547 M CB 1.744 34.169 32.600 -0.292 0.000 1.692 547 M HN 0.717 nan 8.290 nan 0.000 0.462 548 D N 1.795 122.221 120.400 0.044 0.000 2.425 548 D HA 0.081 4.721 4.640 -0.001 0.000 0.247 548 D C 0.596 177.011 176.300 0.192 0.000 1.147 548 D CA 0.081 54.183 54.000 0.169 0.000 0.879 548 D CB 1.108 42.018 40.800 0.183 0.000 1.179 548 D HN 0.664 nan 8.370 nan 0.000 0.456 549 c N 3.380 122.102 118.600 0.203 0.000 2.456 549 c HA 0.331 4.900 4.570 -0.001 0.000 0.279 549 c C 1.305 175.451 174.090 0.092 0.000 1.427 549 c CA 0.893 57.309 56.329 0.146 0.000 1.778 549 c CB -1.739 40.786 42.510 0.025 0.000 1.842 549 c HN 0.907 nan 8.230 nan 0.000 0.531 550 G N 0.878 109.732 108.800 0.091 0.000 2.730 550 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.686 550 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.686 550 G C -2.743 172.183 174.900 0.043 0.000 1.343 550 G CA -0.734 44.398 45.100 0.052 0.000 0.826 550 G HN 0.152 nan 8.290 nan 0.000 0.582 551 P HA 0.325 nan 4.420 nan 0.000 0.265 551 P C 1.274 178.599 177.300 0.042 0.000 1.193 551 P CA 1.853 64.967 63.100 0.023 0.000 0.765 551 P CB 0.706 32.410 31.700 0.007 0.000 0.823 552 G N 2.049 110.881 108.800 0.054 0.000 2.304 552 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.252 552 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.252 552 G C 0.094 175.050 174.900 0.094 0.000 1.014 552 G CA -0.006 45.131 45.100 0.062 0.000 0.619 552 G HN 0.646 nan 8.290 nan 0.000 0.525 553 Q N -1.035 118.825 119.800 0.101 0.000 2.297 553 Q HA 0.619 4.959 4.340 -0.001 0.000 0.268 553 Q C -0.827 175.275 176.000 0.171 0.000 1.045 553 Q CA -0.858 55.005 55.803 0.100 0.000 0.861 553 Q CB 2.265 31.023 28.738 0.034 0.000 1.344 553 Q HN 0.404 nan 8.270 nan 0.000 0.452 554 W N 2.923 124.074 121.300 -0.248 0.000 3.033 554 W HA 0.367 5.027 4.660 -0.001 0.000 0.336 554 W C -2.851 173.337 176.519 -0.552 0.000 1.173 554 W CA -2.017 55.132 57.345 -0.327 0.000 1.185 554 W CB 1.968 31.221 29.460 -0.345 0.000 1.425 554 W HN 0.444 nan 8.180 nan 0.000 0.536 555 P HA 0.023 nan 4.420 nan 0.000 0.272 555 P C 0.104 177.178 177.300 -0.377 0.000 1.223 555 P CA 0.430 63.255 63.100 -0.458 0.000 0.784 555 P CB 1.086 32.554 31.700 -0.387 0.000 0.923 556 T N -1.517 112.943 114.554 -0.157 0.000 2.899 556 T HA 0.308 4.657 4.350 -0.001 0.000 0.295 556 T C 1.677 176.454 174.700 0.129 0.000 1.033 556 T CA -0.051 62.123 62.100 0.123 0.000 1.084 556 T CB 0.463 69.411 68.868 0.133 0.000 0.979 556 T HN 0.447 nan 8.240 nan 0.000 0.532 557 A N 2.324 125.277 122.820 0.222 0.000 1.940 557 A HA -0.239 4.080 4.320 -0.001 0.000 0.221 557 A C 1.955 179.586 177.584 0.078 0.000 1.190 557 A CA 2.306 54.432 52.037 0.148 0.000 0.647 557 A CB -1.103 17.977 19.000 0.133 0.000 0.821 557 A HN 1.032 nan 8.150 nan 0.000 0.457 558 D N -2.108 118.331 120.400 0.064 0.000 2.349 558 D HA 0.170 4.810 4.640 -0.001 0.000 0.215 558 D C 0.675 176.989 176.300 0.024 0.000 1.016 558 D CA 0.552 54.573 54.000 0.035 0.000 0.870 558 D CB -0.201 40.617 40.800 0.030 0.000 0.917 558 D HN 0.279 nan 8.370 nan 0.000 0.524 559 L N -0.107 121.131 121.223 0.026 0.000 4.937 559 L HA -0.282 4.057 4.340 -0.001 0.000 0.422 559 L C 1.723 178.654 176.870 0.102 0.000 1.059 559 L CA 1.074 55.935 54.840 0.035 0.000 1.111 559 L CB -2.449 39.613 42.059 0.004 0.000 2.033 559 L HN 0.271 nan 8.230 nan 0.000 0.708 560 S N -2.131 113.608 115.700 0.065 0.000 2.436 560 S HA 0.443 4.913 4.470 -0.001 0.000 0.228 560 S C 1.045 175.677 174.600 0.053 0.000 1.014 560 S CA 0.711 58.963 58.200 0.085 0.000 0.950 560 S CB 0.367 63.589 63.200 0.036 0.000 0.784 560 S HN 0.789 nan 8.310 nan 0.000 0.504 561 G N -0.918 107.810 108.800 -0.120 0.000 2.815 561 G HA2 0.541 4.500 3.960 -0.001 0.000 0.305 561 G HA3 0.541 4.500 3.960 -0.001 0.000 0.305 561 G C -1.544 173.051 174.900 -0.508 0.000 1.277 561 G CA -0.348 44.489 45.100 -0.438 0.000 0.795 561 G HN 0.403 nan 8.290 nan 0.000 0.528 562 c N -0.525 117.800 118.600 -0.458 0.000 2.667 562 c HA 0.909 5.478 4.570 -0.001 0.000 0.323 562 c C -1.282 172.759 174.090 -0.082 0.000 1.214 562 c CA -0.801 55.330 56.329 -0.330 0.000 1.721 562 c CB 0.723 43.028 42.510 -0.343 0.000 2.275 562 c HN 0.783 nan 8.230 nan 0.000 0.491 563 Y N -0.272 120.026 120.300 -0.003 0.000 2.524 563 Y HA 0.570 5.119 4.550 -0.001 0.000 0.347 563 Y C -0.434 175.501 175.900 0.059 0.000 1.005 563 Y CA -1.525 56.589 58.100 0.024 0.000 1.025 563 Y CB 0.132 38.614 38.460 0.037 0.000 1.275 563 Y HN 0.564 nan 8.280 nan 0.000 0.460 564 N N 2.247 121.132 118.700 0.308 0.000 2.416 564 N HA 0.184 4.923 4.740 -0.001 0.000 0.246 564 N C -0.849 174.832 175.510 0.285 0.000 1.260 564 N CA 0.075 53.254 53.050 0.216 0.000 0.897 564 N CB 0.803 39.360 38.487 0.117 0.000 1.110 564 N HN 0.719 nan 8.380 nan 0.000 0.439 565 L N 2.729 124.061 121.223 0.180 0.000 2.309 565 L HA 0.427 4.766 4.340 -0.001 0.000 0.282 565 L C -1.343 175.564 176.870 0.061 0.000 1.036 565 L CA -1.480 53.442 54.840 0.136 0.000 0.806 565 L CB 1.331 43.439 42.059 0.081 0.000 1.220 565 L HN 0.424 nan 8.230 nan 0.000 0.429 566 P HA 0.418 nan 4.420 nan 0.000 0.297 566 P C -0.815 176.480 177.300 -0.009 0.000 1.303 566 P CA -0.286 62.815 63.100 0.002 0.000 0.753 566 P CB 0.961 32.652 31.700 -0.015 0.000 1.281 567 E N 0.000 120.192 120.200 -0.014 0.000 2.725 567 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 567 E CA 0.000 56.390 56.400 -0.017 0.000 0.976 567 E CB 0.000 29.684 29.700 -0.026 0.000 0.812 567 E HN 0.000 nan 8.360 nan 0.000 0.440