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 1z47_1_A DATA FIRST_RESID 11 DATA SEQUENCE GSMTIEFVGV EKIYPGGARS VRGVSFQIRE GEMVGLLGPS GSGKTTILRL DATA SEQUENCE IAGLERPTKG DVWIGGKRVT DLPPQKRNVG LVFQNYALFQ HMTVYDNVSF DATA SEQUENCE GLREKRVPKD EMDARVRELL RFMRLESYAN RFPHELSGGQ QQRVALARAL DATA SEQUENCE APRPQVLLFD EPFAAIDTQI RRELRTFVRQ VHDEMGVTSV FVTHDQEEAL DATA SEQUENCE EVADRVLVLH EGNVEQFGTP EEVYEKPGTL FVASFIGESN VWTRAVQNGR DATA SEQUENCE IEVAGAALPV DPAVSEGSEV AVVVRPKDVE LQPASEREAH AQVVRSAFKG DATA SEQUENCE SYSACWIRTK DGEVWEVHVP SADRHRWSPG AWVHMNVTRW FIFPR 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 11 G C 0.000 174.912 174.900 0.021 0.000 0.946 11 G CA 0.000 45.110 45.100 0.017 0.000 0.502 12 S N -0.034 115.685 115.700 0.032 0.000 2.614 12 S HA 0.479 4.948 4.470 -0.002 0.000 0.275 12 S C -0.739 173.892 174.600 0.052 0.000 1.161 12 S CA -0.661 57.560 58.200 0.035 0.000 0.969 12 S CB 1.538 64.760 63.200 0.036 0.000 1.059 12 S HN 0.508 nan 8.310 nan 0.000 0.482 13 M N 2.814 122.442 119.600 0.047 0.000 2.341 13 M HA 0.259 4.738 4.480 -0.002 0.000 0.336 13 M C 1.235 177.588 176.300 0.089 0.000 1.489 13 M CA -0.120 55.222 55.300 0.069 0.000 1.278 13 M CB -0.657 31.969 32.600 0.043 0.000 1.657 13 M HN 0.661 nan 8.290 nan 0.000 0.455 14 T N 2.889 117.509 114.554 0.110 0.000 3.035 14 T HA 0.342 4.691 4.350 -0.002 0.000 0.259 14 T C 0.726 175.521 174.700 0.158 0.000 1.078 14 T CA 0.750 62.922 62.100 0.120 0.000 1.132 14 T CB 0.241 69.174 68.868 0.109 0.000 0.900 14 T HN 0.484 nan 8.240 nan 0.000 0.480 15 I N 0.963 121.643 120.570 0.183 0.000 2.569 15 I HA 0.480 4.649 4.170 -0.002 0.000 0.290 15 I C -0.811 175.454 176.117 0.248 0.000 1.088 15 I CA -0.815 60.627 61.300 0.235 0.000 1.047 15 I CB 2.788 40.936 38.000 0.247 0.000 1.237 15 I HN -0.023 nan 8.210 nan 0.000 0.421 16 E N 5.807 126.165 120.200 0.263 0.000 2.290 16 E HA 0.504 4.853 4.350 -0.002 0.000 0.274 16 E C -1.977 174.754 176.600 0.218 0.000 0.889 16 E CA -0.504 55.990 56.400 0.156 0.000 0.760 16 E CB 2.048 31.786 29.700 0.063 0.000 1.206 16 E HN 0.458 nan 8.360 nan 0.000 0.419 17 F N 3.324 122.963 119.950 -0.519 0.000 2.444 17 F HA 0.447 4.973 4.527 -0.002 0.000 0.342 17 F C -0.512 175.107 175.800 -0.301 0.000 1.121 17 F CA -1.009 56.675 58.000 -0.526 0.000 0.997 17 F CB 1.771 40.099 39.000 -1.119 0.000 1.130 17 F HN 0.205 nan 8.300 nan 0.000 0.454 18 V N 3.422 123.320 119.914 -0.026 0.000 2.304 18 V HA 0.351 4.470 4.120 -0.002 0.000 0.278 18 V C 0.390 176.462 176.094 -0.038 0.000 1.018 18 V CA -0.594 61.700 62.300 -0.010 0.000 0.814 18 V CB 0.882 32.740 31.823 0.060 0.000 1.021 18 V HN 1.025 nan 8.190 nan 0.000 0.440 19 G N 4.275 113.056 108.800 -0.032 0.000 2.356 19 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.296 19 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.296 19 G C 0.128 174.989 174.900 -0.064 0.000 1.022 19 G CA 0.417 45.498 45.100 -0.032 0.000 0.961 19 G HN 0.687 nan 8.290 nan 0.000 0.510 20 V N 0.017 119.878 119.914 -0.089 0.000 2.572 20 V HA 0.369 4.488 4.120 -0.002 0.000 0.291 20 V C 0.619 176.662 176.094 -0.085 0.000 1.039 20 V CA 0.301 62.505 62.300 -0.161 0.000 1.055 20 V CB 1.330 32.931 31.823 -0.370 0.000 0.969 20 V HN 0.511 nan 8.190 nan 0.000 0.482 21 E N 3.540 123.673 120.200 -0.112 0.000 2.256 21 E HA 0.601 4.950 4.350 -0.002 0.000 0.268 21 E C -1.012 175.509 176.600 -0.132 0.000 0.877 21 E CA -1.021 55.322 56.400 -0.094 0.000 0.757 21 E CB 2.348 31.996 29.700 -0.088 0.000 1.183 21 E HN 0.408 nan 8.360 nan 0.000 0.418 22 K N 3.475 123.788 120.400 -0.145 0.000 2.640 22 K HA 0.419 4.738 4.320 -0.002 0.000 0.245 22 K C -1.838 174.539 176.600 -0.371 0.000 0.962 22 K CA -0.214 55.922 56.287 -0.252 0.000 0.896 22 K CB 0.552 32.931 32.500 -0.202 0.000 1.147 22 K HN 0.472 nan 8.250 nan 0.000 0.445 23 I N 4.996 125.319 120.570 -0.412 0.000 2.441 23 I HA 0.400 4.569 4.170 -0.002 0.000 0.295 23 I C -0.675 175.136 176.117 -0.508 0.000 0.994 23 I CA -1.103 59.976 61.300 -0.368 0.000 1.144 23 I CB 1.229 39.123 38.000 -0.177 0.000 1.314 23 I HN 0.535 nan 8.210 nan 0.000 0.445 24 Y N 5.722 126.013 120.300 -0.014 0.000 2.429 24 Y HA 0.416 4.965 4.550 -0.002 0.000 0.342 24 Y C -2.030 173.862 175.900 -0.013 0.000 1.004 24 Y CA -2.480 55.613 58.100 -0.011 0.000 1.075 24 Y CB 1.343 39.800 38.460 -0.007 0.000 1.214 24 Y HN 0.359 nan 8.280 nan 0.000 0.455 25 P HA 0.101 nan 4.420 nan 0.000 0.268 25 P C 0.611 177.959 177.300 0.079 0.000 1.204 25 P CA 0.814 63.959 63.100 0.076 0.000 0.768 25 P CB 0.994 32.729 31.700 0.059 0.000 0.842 26 G N 2.132 110.961 108.800 0.047 0.000 2.175 26 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.244 26 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.244 26 G C 0.986 175.911 174.900 0.041 0.000 0.982 26 G CA 0.302 45.423 45.100 0.036 0.000 0.641 26 G HN 0.947 nan 8.290 nan 0.000 0.527 27 G N 0.280 109.114 108.800 0.057 0.000 2.771 27 G HA2 0.014 3.973 3.960 -0.002 0.000 0.239 27 G HA3 0.014 3.973 3.960 -0.002 0.000 0.239 27 G C 1.405 176.350 174.900 0.075 0.000 1.087 27 G CA 1.991 47.122 45.100 0.051 0.000 0.712 27 G HN 2.428 nan 8.290 nan 0.000 0.541 28 A N 0.169 123.024 122.820 0.058 0.000 2.565 28 A HA 0.488 4.807 4.320 -0.002 0.000 0.237 28 A C 1.527 179.163 177.584 0.087 0.000 1.053 28 A CA 1.854 53.917 52.037 0.043 0.000 0.755 28 A CB -0.260 18.745 19.000 0.010 0.000 0.980 28 A HN 1.477 nan 8.150 nan 0.000 0.506 29 R N 0.079 120.624 120.500 0.075 0.000 3.922 29 R HA -0.142 4.197 4.340 -0.002 0.000 0.447 29 R C 0.385 176.860 176.300 0.291 0.000 1.035 29 R CA 0.928 57.099 56.100 0.117 0.000 1.289 29 R CB -2.523 27.754 30.300 -0.037 0.000 1.906 29 R HN 0.639 nan 8.270 nan 0.000 0.540 30 S N 0.381 116.229 115.700 0.247 0.000 2.593 30 S HA 0.362 4.831 4.470 -0.002 0.000 0.269 30 S C 0.386 175.025 174.600 0.066 0.000 1.334 30 S CA -0.374 57.911 58.200 0.142 0.000 1.015 30 S CB 1.812 65.036 63.200 0.041 0.000 0.912 30 S HN 0.127 nan 8.310 nan 0.000 0.541 31 V N 3.133 123.060 119.914 0.023 0.000 2.378 31 V HA 0.366 4.485 4.120 -0.002 0.000 0.288 31 V C 0.122 176.211 176.094 -0.009 0.000 1.016 31 V CA -0.566 61.755 62.300 0.034 0.000 0.840 31 V CB 1.332 33.207 31.823 0.088 0.000 0.994 31 V HN 0.750 nan 8.190 nan 0.000 0.431 32 R N 3.656 124.148 120.500 -0.014 0.000 3.752 32 R HA 0.497 4.836 4.340 -0.002 0.000 0.291 32 R C 0.719 177.006 176.300 -0.023 0.000 1.433 32 R CA 0.092 56.173 56.100 -0.032 0.000 1.518 32 R CB 0.943 31.214 30.300 -0.049 0.000 1.413 32 R HN 1.019 nan 8.270 nan 0.000 0.676 33 G N 0.622 109.414 108.800 -0.013 0.000 2.851 33 G HA2 -0.195 3.763 3.960 -0.002 0.000 0.272 33 G HA3 -0.195 3.763 3.960 -0.002 0.000 0.272 33 G C -0.505 174.408 174.900 0.022 0.000 1.100 33 G CA -0.681 44.415 45.100 -0.007 0.000 1.197 33 G HN 0.243 nan 8.290 nan 0.000 0.561 34 V N 1.159 121.108 119.914 0.058 0.000 2.495 34 V HA 0.829 4.948 4.120 -0.002 0.000 0.298 34 V C 0.409 176.556 176.094 0.089 0.000 1.031 34 V CA -0.396 61.973 62.300 0.115 0.000 0.871 34 V CB 2.144 34.099 31.823 0.220 0.000 0.988 34 V HN 0.730 nan 8.190 nan 0.000 0.432 35 S N 5.005 120.745 115.700 0.067 0.000 2.538 35 S HA 0.935 5.404 4.470 -0.002 0.000 0.288 35 S C -0.982 173.648 174.600 0.050 0.000 1.108 35 S CA -0.526 57.669 58.200 -0.010 0.000 0.971 35 S CB 1.600 64.809 63.200 0.014 0.000 1.041 35 S HN 0.724 nan 8.310 nan 0.000 0.483 36 F N -0.255 119.732 119.950 0.062 0.000 2.741 36 F HA 0.667 5.193 4.527 -0.002 0.000 0.311 36 F C -1.683 174.156 175.800 0.064 0.000 1.149 36 F CA -1.101 56.902 58.000 0.005 0.000 0.930 36 F CB 1.011 39.842 39.000 -0.282 0.000 1.312 36 F HN 0.417 nan 8.300 nan 0.000 0.450 37 Q N 2.000 122.095 119.800 0.492 0.000 2.323 37 Q HA 0.705 5.044 4.340 -0.002 0.000 0.271 37 Q C -1.471 174.780 176.000 0.418 0.000 1.048 37 Q CA -0.780 55.236 55.803 0.355 0.000 0.792 37 Q CB 3.360 32.213 28.738 0.191 0.000 1.280 37 Q HN 0.683 nan 8.270 nan 0.000 0.441 38 I N 2.429 123.198 120.570 0.332 0.000 2.378 38 I HA 0.415 4.583 4.170 -0.002 0.000 0.291 38 I C -0.116 176.102 176.117 0.168 0.000 0.992 38 I CA -0.799 60.655 61.300 0.257 0.000 1.154 38 I CB 1.376 39.500 38.000 0.207 0.000 1.315 38 I HN 0.393 nan 8.210 nan 0.000 0.448 39 R N 3.828 124.403 120.500 0.126 0.000 2.582 39 R HA 0.190 4.528 4.340 -0.002 0.000 0.271 39 R C 0.048 176.403 176.300 0.091 0.000 1.078 39 R CA -0.631 55.522 56.100 0.088 0.000 1.127 39 R CB 0.580 30.913 30.300 0.055 0.000 1.038 39 R HN 0.536 nan 8.270 nan 0.000 0.500 40 E N 0.713 120.958 120.200 0.075 0.000 2.465 40 E HA -0.024 4.325 4.350 -0.002 0.000 0.260 40 E C 0.630 177.275 176.600 0.076 0.000 0.980 40 E CA 1.062 57.505 56.400 0.072 0.000 0.927 40 E CB 0.293 30.023 29.700 0.050 0.000 0.934 40 E HN 0.765 nan 8.360 nan 0.000 0.459 41 G N 3.307 112.162 108.800 0.091 0.000 2.205 41 G HA2 -0.334 3.624 3.960 -0.002 0.000 0.261 41 G HA3 -0.334 3.624 3.960 -0.002 0.000 0.261 41 G C 0.042 175.084 174.900 0.235 0.000 0.980 41 G CA 0.660 45.820 45.100 0.100 0.000 0.632 41 G HN 0.694 nan 8.290 nan 0.000 0.533 42 E N -0.334 119.986 120.200 0.200 0.000 2.314 42 E HA 0.670 5.019 4.350 -0.002 0.000 0.262 42 E C 0.182 176.872 176.600 0.150 0.000 1.093 42 E CA -0.970 55.537 56.400 0.179 0.000 0.908 42 E CB 1.112 30.865 29.700 0.089 0.000 1.091 42 E HN 0.335 nan 8.360 nan 0.000 0.425 43 M N 2.525 122.109 119.600 -0.026 0.000 2.181 43 M HA 0.346 4.825 4.480 -0.002 0.000 0.323 43 M C -1.914 174.353 176.300 -0.054 0.000 1.004 43 M CA -0.807 54.407 55.300 -0.144 0.000 0.941 43 M CB 1.572 33.926 32.600 -0.409 0.000 1.579 43 M HN 0.448 nan 8.290 nan 0.000 0.427 44 V N 4.011 123.854 119.914 -0.118 0.000 2.604 44 V HA 0.777 4.896 4.120 -0.002 0.000 0.305 44 V C 0.319 175.993 176.094 -0.700 0.000 1.043 44 V CA -0.689 61.471 62.300 -0.232 0.000 0.888 44 V CB 1.901 33.637 31.823 -0.145 0.000 0.995 44 V HN 0.974 nan 8.190 nan 0.000 0.429 45 G N 3.771 112.083 108.800 -0.812 0.000 2.388 45 G HA2 0.691 4.650 3.960 -0.002 0.000 0.330 45 G HA3 0.691 4.650 3.960 -0.002 0.000 0.330 45 G C -1.074 173.480 174.900 -0.576 0.000 1.142 45 G CA -0.649 43.625 45.100 -1.375 0.000 0.908 45 G HN 0.603 nan 8.290 nan 0.000 0.473 46 L N 2.270 123.222 121.223 -0.452 0.000 2.280 46 L HA 0.499 4.838 4.340 -0.002 0.000 0.287 46 L C -0.211 176.618 176.870 -0.068 0.000 1.023 46 L CA -0.431 54.259 54.840 -0.250 0.000 0.819 46 L CB 1.117 43.039 42.059 -0.228 0.000 1.212 46 L HN 0.180 nan 8.230 nan 0.000 0.420 47 L N 2.650 123.868 121.223 -0.008 0.000 2.323 47 L HA 1.009 5.347 4.340 -0.002 0.000 0.265 47 L C 0.262 177.155 176.870 0.040 0.000 1.012 47 L CA -0.736 54.188 54.840 0.141 0.000 0.820 47 L CB 2.202 44.427 42.059 0.278 0.000 1.334 47 L HN 0.722 nan 8.230 nan 0.000 0.427 48 G N 0.877 109.705 108.800 0.046 0.000 2.350 48 G HA2 0.238 4.197 3.960 -0.002 0.000 0.304 48 G HA3 0.238 4.197 3.960 -0.002 0.000 0.304 48 G C -3.359 171.452 174.900 -0.149 0.000 1.421 48 G CA -0.841 43.999 45.100 -0.433 0.000 0.934 48 G HN 0.258 nan 8.290 nan 0.000 0.632 49 P HA 0.320 nan 4.420 nan 0.000 0.272 49 P C 0.626 177.992 177.300 0.111 0.000 1.240 49 P CA -0.051 63.137 63.100 0.146 0.000 0.791 49 P CB 0.615 32.406 31.700 0.151 0.000 0.978 50 S N 0.305 116.082 115.700 0.130 0.000 2.549 50 S HA 0.343 4.812 4.470 -0.002 0.000 0.286 50 S C 1.276 175.910 174.600 0.057 0.000 1.314 50 S CA 0.356 58.609 58.200 0.089 0.000 1.062 50 S CB -0.682 62.565 63.200 0.079 0.000 0.865 50 S HN 0.997 nan 8.310 nan 0.000 0.498 51 G N 2.023 110.847 108.800 0.038 0.000 2.179 51 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.260 51 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.260 51 G C 0.948 175.858 174.900 0.016 0.000 0.977 51 G CA 0.752 45.866 45.100 0.022 0.000 0.641 51 G HN 1.782 nan 8.290 nan 0.000 0.533 52 S N -0.472 115.233 115.700 0.010 0.000 2.515 52 S HA 0.370 4.839 4.470 -0.002 0.000 0.231 52 S C 2.298 176.888 174.600 -0.016 0.000 0.987 52 S CA 1.563 59.749 58.200 -0.025 0.000 0.936 52 S CB 0.102 63.270 63.200 -0.054 0.000 0.766 52 S HN 2.407 nan 8.310 nan 0.000 0.528 53 G N 2.089 110.903 108.800 0.022 0.000 2.201 53 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.212 53 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.212 53 G C 0.811 175.738 174.900 0.044 0.000 0.994 53 G CA 0.285 45.417 45.100 0.052 0.000 0.644 53 G HN 0.681 nan 8.290 nan 0.000 0.508 54 K N -0.201 120.207 120.400 0.013 0.000 2.063 54 K HA -0.024 4.294 4.320 -0.002 0.000 0.208 54 K C 2.032 178.643 176.600 0.018 0.000 1.048 54 K CA 2.022 58.305 56.287 -0.006 0.000 0.928 54 K CB -0.595 31.902 32.500 -0.005 0.000 0.713 54 K HN 0.228 nan 8.250 nan 0.000 0.442 55 T N 0.864 115.444 114.554 0.043 0.000 2.942 55 T HA -0.046 4.303 4.350 -0.002 0.000 0.265 55 T C 1.788 176.534 174.700 0.076 0.000 1.062 55 T CA 1.549 63.680 62.100 0.050 0.000 1.139 55 T CB -0.281 68.615 68.868 0.047 0.000 0.883 55 T HN 0.380 nan 8.240 nan 0.000 0.468 56 T N 2.394 117.012 114.554 0.106 0.000 2.746 56 T HA 0.030 4.378 4.350 -0.002 0.000 0.267 56 T C 1.942 176.751 174.700 0.182 0.000 1.039 56 T CA 0.829 63.029 62.100 0.166 0.000 1.142 56 T CB -0.363 68.645 68.868 0.234 0.000 0.866 56 T HN 0.327 nan 8.240 nan 0.000 0.444 57 I N 0.464 121.135 120.570 0.169 0.000 2.163 57 I HA -0.164 4.005 4.170 -0.002 0.000 0.243 57 I C 2.346 178.572 176.117 0.183 0.000 1.085 57 I CA 1.040 62.474 61.300 0.223 0.000 1.347 57 I CB -0.356 37.688 38.000 0.072 0.000 1.044 57 I HN 0.177 nan 8.210 nan 0.000 0.408 58 L N 0.891 122.163 121.223 0.081 0.000 2.046 58 L HA -0.203 4.135 4.340 -0.002 0.000 0.208 58 L C 2.661 179.586 176.870 0.092 0.000 1.077 58 L CA 1.795 56.669 54.840 0.057 0.000 0.747 58 L CB -0.441 41.629 42.059 0.017 0.000 0.896 58 L HN 0.063 nan 8.230 nan 0.000 0.432 59 R N -0.986 119.576 120.500 0.103 0.000 2.096 59 R HA -0.109 4.230 4.340 -0.002 0.000 0.235 59 R C 2.215 178.589 176.300 0.122 0.000 1.127 59 R CA 1.446 57.606 56.100 0.100 0.000 0.968 59 R CB -0.436 29.927 30.300 0.104 0.000 0.861 59 R HN 0.372 nan 8.270 nan 0.000 0.440 60 L N 0.240 121.573 121.223 0.183 0.000 2.141 60 L HA -0.136 4.203 4.340 -0.002 0.000 0.209 60 L C 2.182 179.189 176.870 0.228 0.000 1.094 60 L CA 1.095 56.044 54.840 0.181 0.000 0.763 60 L CB -0.272 41.926 42.059 0.233 0.000 0.908 60 L HN 0.186 nan 8.230 nan 0.000 0.437 61 I N -0.314 120.448 120.570 0.321 0.000 2.286 61 I HA -0.185 3.984 4.170 -0.002 0.000 0.245 61 I C 2.744 178.941 176.117 0.134 0.000 1.104 61 I CA 0.974 62.441 61.300 0.279 0.000 1.397 61 I CB -0.435 37.699 38.000 0.223 0.000 1.072 61 I HN 0.145 nan 8.210 nan 0.000 0.417 62 A N 0.414 123.288 122.820 0.089 0.000 1.969 62 A HA 0.083 4.402 4.320 -0.002 0.000 0.218 62 A C 2.045 179.656 177.584 0.044 0.000 1.169 62 A CA 1.437 53.498 52.037 0.041 0.000 0.635 62 A CB -0.767 18.240 19.000 0.012 0.000 0.810 62 A HN 0.596 nan 8.150 nan 0.000 0.445 63 G N -1.838 106.992 108.800 0.051 0.000 2.157 63 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.239 63 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.239 63 G C 0.742 175.666 174.900 0.039 0.000 0.982 63 G CA 0.384 45.502 45.100 0.030 0.000 0.650 63 G HN 0.411 nan 8.290 nan 0.000 0.527 64 L N -0.347 120.910 121.223 0.057 0.000 2.275 64 L HA 0.237 4.576 4.340 -0.002 0.000 0.215 64 L C 1.350 178.258 176.870 0.063 0.000 1.119 64 L CA 1.166 56.047 54.840 0.068 0.000 0.790 64 L CB -0.035 42.074 42.059 0.084 0.000 0.919 64 L HN 0.400 nan 8.230 nan 0.000 0.443 65 E N -1.114 119.122 120.200 0.060 0.000 2.393 65 E HA 0.477 4.825 4.350 -0.002 0.000 0.273 65 E C -0.856 175.753 176.600 0.014 0.000 0.918 65 E CA -0.808 55.625 56.400 0.055 0.000 0.773 65 E CB 2.326 32.087 29.700 0.101 0.000 1.275 65 E HN 0.030 nan 8.360 nan 0.000 0.451 66 R N 1.257 121.749 120.500 -0.014 0.000 2.664 66 R HA 0.453 4.792 4.340 -0.002 0.000 0.286 66 R C -2.453 173.792 176.300 -0.093 0.000 0.967 66 R CA -1.999 54.063 56.100 -0.062 0.000 0.933 66 R CB 1.291 31.555 30.300 -0.061 0.000 1.146 66 R HN 0.229 nan 8.270 nan 0.000 0.468 67 P HA 0.059 nan 4.420 nan 0.000 0.270 67 P C 0.118 177.333 177.300 -0.142 0.000 1.223 67 P CA -0.091 62.910 63.100 -0.165 0.000 0.785 67 P CB 0.678 32.247 31.700 -0.220 0.000 0.923 68 T N -0.629 113.834 114.554 -0.151 0.000 2.896 68 T HA -0.005 4.344 4.350 -0.002 0.000 0.263 68 T C 0.603 175.236 174.700 -0.112 0.000 1.050 68 T CA 1.171 63.192 62.100 -0.132 0.000 1.140 68 T CB -0.078 68.701 68.868 -0.148 0.000 0.877 68 T HN 0.369 nan 8.240 nan 0.000 0.457 69 K N -0.775 119.554 120.400 -0.119 0.000 2.556 69 K HA 0.492 4.810 4.320 -0.002 0.000 0.274 69 K C -0.787 175.740 176.600 -0.122 0.000 0.966 69 K CA -0.067 56.158 56.287 -0.103 0.000 0.865 69 K CB 1.865 34.316 32.500 -0.082 0.000 1.444 69 K HN 0.275 nan 8.250 nan 0.000 0.433 70 G N 1.775 110.512 108.800 -0.105 0.000 2.712 70 G HA2 -0.108 3.850 3.960 -0.002 0.000 0.683 70 G HA3 -0.108 3.850 3.960 -0.002 0.000 0.683 70 G C -1.581 173.228 174.900 -0.151 0.000 1.320 70 G CA -0.501 44.531 45.100 -0.114 0.000 0.847 70 G HN 0.605 nan 8.290 nan 0.000 0.553 71 D N -1.213 119.110 120.400 -0.129 0.000 2.490 71 D HA 0.573 5.212 4.640 -0.002 0.000 0.232 71 D C -0.542 175.635 176.300 -0.205 0.000 1.053 71 D CA -0.376 53.526 54.000 -0.163 0.000 0.914 71 D CB 2.554 43.319 40.800 -0.059 0.000 1.431 71 D HN 0.402 nan 8.370 nan 0.000 0.483 72 V N 1.427 121.162 119.914 -0.298 0.000 2.495 72 V HA 0.387 4.505 4.120 -0.002 0.000 0.298 72 V C -1.127 174.870 176.094 -0.162 0.000 1.031 72 V CA -0.674 61.504 62.300 -0.203 0.000 0.871 72 V CB 1.562 33.227 31.823 -0.262 0.000 0.988 72 V HN 0.464 nan 8.190 nan 0.000 0.432 73 W N 4.816 126.112 121.300 -0.007 0.000 2.702 73 W HA 0.803 5.462 4.660 -0.002 0.000 0.331 73 W C -0.530 176.024 176.519 0.059 0.000 1.049 73 W CA -0.489 56.865 57.345 0.016 0.000 1.230 73 W CB 1.527 30.994 29.460 0.011 0.000 1.408 73 W HN 0.294 nan 8.180 nan 0.000 0.492 74 I N 2.779 123.495 120.570 0.244 0.000 2.499 74 I HA 0.416 4.585 4.170 -0.002 0.000 0.288 74 I C 0.902 177.119 176.117 0.167 0.000 1.048 74 I CA -1.017 60.393 61.300 0.184 0.000 1.062 74 I CB 1.983 40.054 38.000 0.119 0.000 1.238 74 I HN 0.736 nan 8.210 nan 0.000 0.426 75 G N 4.150 113.041 108.800 0.152 0.000 2.341 75 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.292 75 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.292 75 G C 1.007 175.996 174.900 0.148 0.000 1.021 75 G CA 0.757 45.931 45.100 0.122 0.000 0.905 75 G HN 1.598 nan 8.290 nan 0.000 0.508 76 G N -1.822 107.106 108.800 0.214 0.000 2.184 76 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.264 76 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.264 76 G C 0.378 175.533 174.900 0.423 0.000 0.975 76 G CA 1.143 46.403 45.100 0.268 0.000 0.642 76 G HN 1.025 nan 8.290 nan 0.000 0.536 77 K N 0.113 120.704 120.400 0.318 0.000 2.182 77 K HA 0.479 4.798 4.320 -0.002 0.000 0.262 77 K C 0.171 176.689 176.600 -0.136 0.000 0.957 77 K CA -1.048 55.316 56.287 0.129 0.000 0.842 77 K CB 1.683 34.203 32.500 0.032 0.000 1.099 77 K HN 0.293 nan 8.250 nan 0.000 0.438 78 R N 2.240 122.337 120.500 -0.671 0.000 2.242 78 R HA 0.112 4.451 4.340 -0.002 0.000 0.334 78 R C 0.572 176.529 176.300 -0.572 0.000 1.071 78 R CA -0.026 55.321 56.100 -1.256 0.000 0.922 78 R CB 0.195 29.567 30.300 -1.546 0.000 1.023 78 R HN 0.482 nan 8.270 nan 0.000 0.458 79 V N 0.806 120.470 119.914 -0.417 0.000 3.319 79 V HA 0.095 4.213 4.120 -0.002 0.000 0.317 79 V C 1.396 177.367 176.094 -0.206 0.000 1.411 79 V CA 0.060 62.221 62.300 -0.230 0.000 1.112 79 V CB 0.498 32.250 31.823 -0.119 0.000 1.031 79 V HN 0.698 nan 8.190 nan 0.000 0.448 80 T N 2.099 116.486 114.554 -0.278 0.000 2.635 80 T HA -0.309 4.039 4.350 -0.002 0.000 0.265 80 T C 1.122 175.727 174.700 -0.157 0.000 1.058 80 T CA 2.972 64.934 62.100 -0.229 0.000 1.162 80 T CB -0.438 68.277 68.868 -0.255 0.000 0.859 80 T HN 0.688 nan 8.240 nan 0.000 0.449 81 D N 0.371 120.686 120.400 -0.142 0.000 2.328 81 D HA 0.246 4.885 4.640 -0.002 0.000 0.221 81 D C 0.019 176.275 176.300 -0.074 0.000 1.072 81 D CA 0.074 54.015 54.000 -0.098 0.000 0.850 81 D CB -0.069 40.676 40.800 -0.091 0.000 0.922 81 D HN 0.360 nan 8.370 nan 0.000 0.516 82 L N 1.962 123.138 121.223 -0.077 0.000 2.334 82 L HA 0.400 4.739 4.340 -0.002 0.000 0.277 82 L C -1.973 174.881 176.870 -0.026 0.000 1.075 82 L CA -1.970 52.840 54.840 -0.049 0.000 0.804 82 L CB 0.920 42.947 42.059 -0.053 0.000 1.174 82 L HN -0.165 nan 8.230 nan 0.000 0.438 83 P HA 0.231 nan 4.420 nan 0.000 0.276 83 P C -2.420 174.894 177.300 0.023 0.000 1.261 83 P CA -1.690 61.419 63.100 0.014 0.000 0.800 83 P CB 0.519 32.232 31.700 0.021 0.000 1.066 84 P HA -0.208 nan 4.420 nan 0.000 0.215 84 P C 1.797 179.129 177.300 0.053 0.000 1.157 84 P CA 1.916 65.045 63.100 0.049 0.000 0.874 84 P CB -0.332 31.411 31.700 0.072 0.000 0.790 85 Q N -0.378 119.461 119.800 0.065 0.000 2.364 85 Q HA -0.143 4.196 4.340 -0.002 0.000 0.209 85 Q C 0.985 177.007 176.000 0.037 0.000 0.977 85 Q CA 1.590 57.432 55.803 0.064 0.000 0.885 85 Q CB -0.565 28.217 28.738 0.073 0.000 0.941 85 Q HN 0.135 nan 8.270 nan 0.000 0.464 86 K N 0.429 120.843 120.400 0.023 0.000 2.358 86 K HA 0.269 4.588 4.320 -0.002 0.000 0.197 86 K C 0.039 176.641 176.600 0.003 0.000 1.025 86 K CA 0.071 56.362 56.287 0.008 0.000 1.104 86 K CB 0.717 33.215 32.500 -0.004 0.000 0.855 86 K HN 0.168 nan 8.250 nan 0.000 0.531 87 R N 0.148 120.655 120.500 0.012 0.000 2.787 87 R HA 0.294 4.633 4.340 -0.002 0.000 0.271 87 R C -0.199 176.113 176.300 0.019 0.000 0.993 87 R CA -0.821 55.286 56.100 0.012 0.000 0.993 87 R CB 0.738 31.047 30.300 0.014 0.000 1.155 87 R HN -0.140 nan 8.270 nan 0.000 0.486 88 N N 2.042 120.755 118.700 0.022 0.000 3.243 88 N HA 0.056 4.795 4.740 -0.002 0.000 0.310 88 N C -1.004 174.521 175.510 0.024 0.000 1.313 88 N CA 0.032 53.097 53.050 0.024 0.000 1.204 88 N CB -0.017 38.488 38.487 0.029 0.000 1.483 88 N HN 0.374 nan 8.380 nan 0.000 0.553 89 V N -2.221 117.703 119.914 0.016 0.000 2.823 89 V HA 0.942 5.061 4.120 -0.002 0.000 0.312 89 V C 0.360 176.440 176.094 -0.023 0.000 1.072 89 V CA -1.059 61.240 62.300 -0.002 0.000 0.937 89 V CB 1.672 33.494 31.823 -0.003 0.000 1.013 89 V HN 0.116 nan 8.190 nan 0.000 0.430 90 G N 3.355 112.115 108.800 -0.066 0.000 2.478 90 G HA2 0.664 4.623 3.960 -0.002 0.000 0.317 90 G HA3 0.664 4.623 3.960 -0.002 0.000 0.317 90 G C -1.012 173.755 174.900 -0.222 0.000 1.259 90 G CA -0.841 44.199 45.100 -0.100 0.000 0.933 90 G HN 0.851 nan 8.290 nan 0.000 0.478 91 L N 2.072 123.144 121.223 -0.253 0.000 2.295 91 L HA 0.563 4.902 4.340 -0.002 0.000 0.285 91 L C -0.448 176.047 176.870 -0.625 0.000 1.035 91 L CA -1.103 53.436 54.840 -0.502 0.000 0.806 91 L CB 1.986 43.678 42.059 -0.611 0.000 1.214 91 L HN 0.127 nan 8.230 nan 0.000 0.426 92 V N 3.336 122.797 119.914 -0.756 0.000 2.376 92 V HA 0.389 4.508 4.120 -0.002 0.000 0.287 92 V C -0.176 175.551 176.094 -0.612 0.000 1.015 92 V CA -0.457 61.495 62.300 -0.580 0.000 0.834 92 V CB 1.255 32.720 31.823 -0.598 0.000 1.001 92 V HN 0.399 nan 8.190 nan 0.000 0.428 93 F N 1.386 121.194 119.950 -0.237 0.000 2.368 93 F HA 0.412 4.938 4.527 -0.002 0.000 0.315 93 F C 1.178 176.819 175.800 -0.265 0.000 1.145 93 F CA -0.551 57.326 58.000 -0.206 0.000 1.095 93 F CB 0.537 39.440 39.000 -0.161 0.000 1.286 93 F HN 0.406 nan 8.300 nan 0.000 0.530 94 Q N 1.120 120.937 119.800 0.029 0.000 2.386 94 Q HA -0.048 4.290 4.340 -0.002 0.000 0.282 94 Q C 0.168 176.146 176.000 -0.037 0.000 1.050 94 Q CA 0.280 56.048 55.803 -0.057 0.000 0.918 94 Q CB 0.083 28.827 28.738 0.010 0.000 1.266 94 Q HN 0.609 nan 8.270 nan 0.000 0.423 95 N N 0.867 119.546 118.700 -0.036 0.000 2.708 95 N HA -0.250 4.489 4.740 -0.002 0.000 0.251 95 N C -0.960 174.666 175.510 0.194 0.000 1.123 95 N CA 1.192 54.304 53.050 0.104 0.000 0.739 95 N CB -1.474 37.061 38.487 0.079 0.000 1.113 95 N HN 0.734 nan 8.380 nan 0.000 0.561 96 Y N -2.574 117.766 120.300 0.066 0.000 3.108 96 Y HA -0.292 4.257 4.550 -0.002 0.000 0.208 96 Y C 1.186 177.110 175.900 0.039 0.000 1.245 96 Y CA 0.544 58.685 58.100 0.068 0.000 1.171 96 Y CB -2.014 36.478 38.460 0.053 0.000 1.331 96 Y HN 0.393 nan 8.280 nan 0.000 0.534 97 A N 0.514 123.391 122.820 0.095 0.000 2.531 97 A HA 0.475 4.794 4.320 -0.002 0.000 0.236 97 A C 0.245 177.769 177.584 -0.100 0.000 1.062 97 A CA 0.194 52.222 52.037 -0.014 0.000 0.760 97 A CB 0.310 19.246 19.000 -0.106 0.000 0.995 97 A HN 0.489 nan 8.150 nan 0.000 0.501 98 L N 0.506 121.645 121.223 -0.141 0.000 2.257 98 L HA 0.532 4.871 4.340 -0.002 0.000 0.257 98 L C -0.687 176.028 176.870 -0.258 0.000 1.033 98 L CA -0.776 53.927 54.840 -0.228 0.000 0.835 98 L CB 1.558 43.587 42.059 -0.052 0.000 1.398 98 L HN 0.691 nan 8.230 nan 0.000 0.429 99 F N 0.857 120.777 119.950 -0.051 0.000 2.472 99 F HA 0.102 4.628 4.527 -0.002 0.000 0.364 99 F C 1.484 177.306 175.800 0.036 0.000 1.090 99 F CA -0.390 57.578 58.000 -0.053 0.000 1.188 99 F CB 0.801 39.736 39.000 -0.108 0.000 1.105 99 F HN 0.524 nan 8.300 nan 0.000 0.536 100 Q N 2.064 121.987 119.800 0.205 0.000 1.985 100 Q HA -0.216 4.122 4.340 -0.002 0.000 0.207 100 Q C 0.866 176.887 176.000 0.034 0.000 0.996 100 Q CA 1.826 57.650 55.803 0.036 0.000 0.851 100 Q CB -0.451 28.194 28.738 -0.155 0.000 0.921 100 Q HN 0.698 nan 8.270 nan 0.000 0.418 101 H N -1.210 118.011 119.070 0.252 0.000 2.655 101 H HA 0.435 4.989 4.556 -0.002 0.000 0.309 101 H C -0.189 175.432 175.328 0.489 0.000 1.180 101 H CA -0.070 56.170 56.048 0.321 0.000 1.087 101 H CB -0.242 29.603 29.762 0.138 0.000 1.494 101 H HN 0.069 nan 8.280 nan 0.000 0.515 102 M N 1.193 121.122 119.600 0.549 0.000 2.393 102 M HA 0.250 4.729 4.480 -0.002 0.000 0.299 102 M C -0.206 176.112 176.300 0.030 0.000 1.103 102 M CA -0.811 54.673 55.300 0.306 0.000 0.910 102 M CB 1.755 34.519 32.600 0.274 0.000 1.659 102 M HN 0.356 nan 8.290 nan 0.000 0.445 103 T N 0.135 114.490 114.554 -0.331 0.000 2.726 103 T HA 0.191 4.540 4.350 -0.002 0.000 0.294 103 T C 1.124 175.767 174.700 -0.095 0.000 1.013 103 T CA -0.808 60.995 62.100 -0.495 0.000 0.996 103 T CB 0.657 69.273 68.868 -0.421 0.000 1.016 103 T HN 0.488 nan 8.240 nan 0.000 0.529 104 V N 0.764 120.646 119.914 -0.053 0.000 2.287 104 V HA -0.156 3.962 4.120 -0.002 0.000 0.248 104 V C 2.138 178.283 176.094 0.087 0.000 1.053 104 V CA 2.152 64.479 62.300 0.045 0.000 1.027 104 V CB -1.308 30.559 31.823 0.072 0.000 0.646 104 V HN 0.910 nan 8.190 nan 0.000 0.447 105 Y N 1.190 121.490 120.300 -0.001 0.000 2.128 105 Y HA -0.270 4.278 4.550 -0.002 0.000 0.284 105 Y C 2.407 178.342 175.900 0.058 0.000 1.154 105 Y CA 2.206 60.323 58.100 0.028 0.000 1.149 105 Y CB -0.198 38.266 38.460 0.006 0.000 0.976 105 Y HN 0.329 nan 8.280 nan 0.000 0.505 106 D N -0.532 120.006 120.400 0.230 0.000 2.183 106 D HA -0.173 4.466 4.640 -0.002 0.000 0.203 106 D C 1.823 178.254 176.300 0.218 0.000 0.969 106 D CA 0.908 55.036 54.000 0.213 0.000 0.842 106 D CB -0.404 40.518 40.800 0.203 0.000 0.957 106 D HN 0.439 nan 8.370 nan 0.000 0.484 107 N N 0.372 119.191 118.700 0.199 0.000 2.084 107 N HA -0.109 4.629 4.740 -0.002 0.000 0.190 107 N C 1.921 177.551 175.510 0.200 0.000 1.030 107 N CA 0.769 53.970 53.050 0.252 0.000 0.849 107 N CB 0.057 38.639 38.487 0.159 0.000 1.012 107 N HN 0.040 nan 8.380 nan 0.000 0.423 108 V N 1.344 121.304 119.914 0.077 0.000 2.515 108 V HA -0.160 3.958 4.120 -0.002 0.000 0.250 108 V C 2.416 178.513 176.094 0.005 0.000 1.058 108 V CA 1.873 64.187 62.300 0.023 0.000 1.064 108 V CB -0.519 31.270 31.823 -0.057 0.000 0.675 108 V HN 0.434 nan 8.190 nan 0.000 0.461 109 S N -0.671 115.003 115.700 -0.044 0.000 2.489 109 S HA -0.116 4.353 4.470 -0.002 0.000 0.228 109 S C 1.853 176.504 174.600 0.085 0.000 0.995 109 S CA 0.637 58.817 58.200 -0.034 0.000 0.934 109 S CB -0.721 62.433 63.200 -0.076 0.000 0.771 109 S HN 0.485 nan 8.310 nan 0.000 0.522 110 F N 3.260 123.244 119.950 0.058 0.000 2.063 110 F HA -0.127 4.399 4.527 -0.002 0.000 0.298 110 F C 2.399 178.245 175.800 0.077 0.000 1.105 110 F CA 1.893 59.948 58.000 0.090 0.000 1.215 110 F CB -0.979 38.148 39.000 0.213 0.000 0.972 110 F HN 0.342 nan 8.300 nan 0.000 0.483 111 G N -0.180 108.770 108.800 0.249 0.000 2.443 111 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.219 111 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.219 111 G C 1.658 176.560 174.900 0.003 0.000 1.131 111 G CA 0.984 46.166 45.100 0.136 0.000 0.775 111 G HN 0.443 nan 8.290 nan 0.000 0.547 112 L N -0.470 120.750 121.223 -0.006 0.000 2.131 112 L HA 0.073 4.412 4.340 -0.002 0.000 0.206 112 L C 3.110 179.939 176.870 -0.067 0.000 1.087 112 L CA 0.391 55.215 54.840 -0.027 0.000 0.767 112 L CB -0.314 41.736 42.059 -0.015 0.000 0.917 112 L HN 0.024 nan 8.230 nan 0.000 0.441 113 R N 0.431 120.862 120.500 -0.115 0.000 2.081 113 R HA -0.194 4.144 4.340 -0.002 0.000 0.235 113 R C 2.048 178.224 176.300 -0.208 0.000 1.131 113 R CA 1.351 57.356 56.100 -0.158 0.000 0.960 113 R CB -0.444 29.726 30.300 -0.216 0.000 0.856 113 R HN 0.449 nan 8.270 nan 0.000 0.436 114 E N 0.977 120.999 120.200 -0.297 0.000 2.204 114 E HA -0.160 4.189 4.350 -0.002 0.000 0.195 114 E C 1.061 177.590 176.600 -0.118 0.000 0.990 114 E CA 1.212 57.463 56.400 -0.249 0.000 0.821 114 E CB 0.173 29.716 29.700 -0.261 0.000 0.750 114 E HN 0.196 nan 8.360 nan 0.000 0.477 115 K N -0.119 120.230 120.400 -0.084 0.000 2.404 115 K HA 0.155 4.474 4.320 -0.002 0.000 0.194 115 K C -0.114 176.461 176.600 -0.042 0.000 1.023 115 K CA -0.023 56.236 56.287 -0.046 0.000 1.094 115 K CB 0.346 32.830 32.500 -0.026 0.000 0.841 115 K HN 0.031 nan 8.250 nan 0.000 0.523 116 R N 0.313 120.780 120.500 -0.055 0.000 3.423 116 R HA -0.136 4.203 4.340 -0.002 0.000 0.271 116 R C -0.666 175.619 176.300 -0.025 0.000 1.093 116 R CA 0.068 56.144 56.100 -0.040 0.000 0.730 116 R CB -2.445 27.835 30.300 -0.033 0.000 1.190 116 R HN -0.028 nan 8.270 nan 0.000 0.437 117 V N 1.561 121.461 119.914 -0.023 0.000 2.655 117 V HA 0.081 4.200 4.120 -0.002 0.000 0.300 117 V C -1.335 174.756 176.094 -0.004 0.000 1.044 117 V CA -0.875 61.418 62.300 -0.011 0.000 1.095 117 V CB 0.865 32.682 31.823 -0.010 0.000 0.952 117 V HN 0.084 nan 8.190 nan 0.000 0.485 118 P HA -0.022 nan 4.420 nan 0.000 0.263 118 P C 0.801 178.110 177.300 0.015 0.000 1.175 118 P CA 0.202 63.306 63.100 0.006 0.000 0.761 118 P CB 0.411 32.115 31.700 0.006 0.000 0.794 119 K N 2.674 123.086 120.400 0.019 0.000 2.089 119 K HA -0.262 4.056 4.320 -0.002 0.000 0.210 119 K C 0.990 177.617 176.600 0.044 0.000 1.048 119 K CA 1.915 58.223 56.287 0.034 0.000 0.926 119 K CB -0.147 32.372 32.500 0.032 0.000 0.714 119 K HN 0.387 nan 8.250 nan 0.000 0.448 120 D N 0.235 120.655 120.400 0.033 0.000 2.117 120 D HA -0.154 4.485 4.640 -0.002 0.000 0.198 120 D C 1.767 178.089 176.300 0.037 0.000 0.982 120 D CA 0.979 55.000 54.000 0.036 0.000 0.828 120 D CB -0.090 40.725 40.800 0.026 0.000 0.967 120 D HN 0.388 nan 8.370 nan 0.000 0.464 121 E N -0.053 120.163 120.200 0.026 0.000 2.150 121 E HA -0.153 4.196 4.350 -0.002 0.000 0.193 121 E C 2.006 178.620 176.600 0.023 0.000 0.985 121 E CA 0.516 56.929 56.400 0.021 0.000 0.814 121 E CB -0.024 29.683 29.700 0.013 0.000 0.752 121 E HN 0.218 nan 8.360 nan 0.000 0.466 122 M N 0.602 120.219 119.600 0.028 0.000 2.156 122 M HA -0.141 4.337 4.480 -0.002 0.000 0.264 122 M C 1.220 177.547 176.300 0.044 0.000 1.067 122 M CA 1.646 56.961 55.300 0.025 0.000 1.131 122 M CB 0.065 32.682 32.600 0.029 0.000 1.368 122 M HN -0.050 nan 8.290 nan 0.000 0.416 123 D N 0.936 121.392 120.400 0.094 0.000 2.144 123 D HA -0.108 4.531 4.640 -0.002 0.000 0.199 123 D C 1.987 178.354 176.300 0.112 0.000 0.984 123 D CA 1.596 55.696 54.000 0.166 0.000 0.834 123 D CB -0.284 40.624 40.800 0.179 0.000 0.955 123 D HN 0.525 nan 8.370 nan 0.000 0.465 124 A N 1.300 124.161 122.820 0.069 0.000 1.865 124 A HA -0.231 4.088 4.320 -0.002 0.000 0.217 124 A C 2.229 179.836 177.584 0.038 0.000 1.191 124 A CA 2.004 54.072 52.037 0.052 0.000 0.623 124 A CB -0.491 18.531 19.000 0.035 0.000 0.826 124 A HN 0.081 nan 8.150 nan 0.000 0.444 125 R N -0.188 120.324 120.500 0.019 0.000 2.083 125 R HA -0.091 4.248 4.340 -0.002 0.000 0.237 125 R C 1.871 178.166 176.300 -0.009 0.000 1.137 125 R CA 2.112 58.213 56.100 0.002 0.000 0.951 125 R CB -1.146 29.150 30.300 -0.007 0.000 0.851 125 R HN 0.272 nan 8.270 nan 0.000 0.434 126 V N 0.883 120.770 119.914 -0.044 0.000 2.295 126 V HA -0.231 3.888 4.120 -0.002 0.000 0.246 126 V C 2.399 178.477 176.094 -0.026 0.000 1.049 126 V CA 2.285 64.513 62.300 -0.120 0.000 1.024 126 V CB -0.494 31.081 31.823 -0.412 0.000 0.648 126 V HN 0.351 nan 8.190 nan 0.000 0.447 127 R N -0.251 120.281 120.500 0.055 0.000 2.096 127 R HA -0.170 4.169 4.340 -0.002 0.000 0.235 127 R C 2.319 178.674 176.300 0.092 0.000 1.127 127 R CA 1.587 57.754 56.100 0.111 0.000 0.968 127 R CB -0.309 30.071 30.300 0.133 0.000 0.861 127 R HN 0.611 nan 8.270 nan 0.000 0.440 128 E N 0.595 120.836 120.200 0.070 0.000 2.110 128 E HA -0.181 4.168 4.350 -0.002 0.000 0.193 128 E C 2.018 178.682 176.600 0.107 0.000 0.988 128 E CA 0.984 57.427 56.400 0.072 0.000 0.804 128 E CB -0.019 29.701 29.700 0.034 0.000 0.745 128 E HN 0.307 nan 8.360 nan 0.000 0.458 129 L N 0.442 121.720 121.223 0.091 0.000 2.072 129 L HA -0.150 4.189 4.340 -0.002 0.000 0.205 129 L C 2.364 179.352 176.870 0.196 0.000 1.079 129 L CA 0.640 55.569 54.840 0.148 0.000 0.752 129 L CB -0.190 41.923 42.059 0.091 0.000 0.906 129 L HN 0.161 nan 8.230 nan 0.000 0.436 130 L N -0.672 120.630 121.223 0.132 0.000 2.083 130 L HA -0.219 4.120 4.340 -0.002 0.000 0.209 130 L C 2.751 179.704 176.870 0.138 0.000 1.083 130 L CA 1.122 56.039 54.840 0.128 0.000 0.752 130 L CB -0.552 41.581 42.059 0.123 0.000 0.899 130 L HN 0.254 nan 8.230 nan 0.000 0.433 131 R N 0.141 120.729 120.500 0.147 0.000 2.070 131 R HA -0.241 4.098 4.340 -0.002 0.000 0.233 131 R C 2.423 178.824 176.300 0.168 0.000 1.137 131 R CA 1.910 58.093 56.100 0.139 0.000 0.945 131 R CB -0.475 29.903 30.300 0.131 0.000 0.845 131 R HN 0.196 nan 8.270 nan 0.000 0.430 132 F N 0.757 120.740 119.950 0.055 0.000 2.120 132 F HA -0.201 4.324 4.527 -0.002 0.000 0.300 132 F C 1.752 177.600 175.800 0.080 0.000 1.095 132 F CA 1.530 59.565 58.000 0.059 0.000 1.249 132 F CB -0.046 38.984 39.000 0.051 0.000 0.995 132 F HN 0.057 nan 8.300 nan 0.000 0.480 133 M N 0.434 120.053 119.600 0.032 0.000 2.618 133 M HA 0.060 4.539 4.480 -0.002 0.000 0.240 133 M C 0.196 176.463 176.300 -0.055 0.000 1.123 133 M CA 0.532 55.798 55.300 -0.057 0.000 1.060 133 M CB -0.822 31.821 32.600 0.072 0.000 1.535 133 M HN 0.091 nan 8.290 nan 0.000 0.507 134 R N 0.330 120.824 120.500 -0.010 0.000 3.422 134 R HA -0.163 4.175 4.340 -0.002 0.000 0.267 134 R C 0.278 176.612 176.300 0.056 0.000 1.074 134 R CA 0.423 56.533 56.100 0.017 0.000 0.718 134 R CB -2.822 27.463 30.300 -0.024 0.000 1.157 134 R HN 0.415 nan 8.270 nan 0.000 0.440 135 L N -0.577 120.699 121.223 0.088 0.000 2.766 135 L HA 0.073 4.411 4.340 -0.002 0.000 0.242 135 L C 1.561 178.579 176.870 0.245 0.000 1.136 135 L CA -0.107 54.824 54.840 0.150 0.000 0.933 135 L CB 0.247 42.348 42.059 0.071 0.000 1.241 135 L HN 0.058 nan 8.230 nan 0.000 0.522 136 E N 0.744 121.049 120.200 0.176 0.000 2.108 136 E HA -0.281 4.068 4.350 -0.002 0.000 0.203 136 E C 2.085 178.749 176.600 0.108 0.000 1.022 136 E CA 2.045 58.527 56.400 0.136 0.000 0.823 136 E CB -0.238 29.519 29.700 0.096 0.000 0.744 136 E HN 0.450 nan 8.360 nan 0.000 0.456 137 S N -0.712 115.034 115.700 0.077 0.000 2.603 137 S HA -0.074 4.395 4.470 -0.002 0.000 0.229 137 S C 0.825 175.233 174.600 -0.321 0.000 0.972 137 S CA 0.426 58.542 58.200 -0.140 0.000 0.935 137 S CB -0.185 62.858 63.200 -0.262 0.000 0.769 137 S HN 0.291 nan 8.310 nan 0.000 0.536 138 Y N 0.203 120.510 120.300 0.012 0.000 2.557 138 Y HA 0.612 5.161 4.550 -0.002 0.000 0.247 138 Y C 2.163 178.068 175.900 0.009 0.000 1.164 138 Y CA -0.596 57.506 58.100 0.003 0.000 1.218 138 Y CB -0.379 38.077 38.460 -0.006 0.000 1.210 138 Y HN 0.300 nan 8.280 nan 0.000 0.529 139 A N 0.819 123.728 122.820 0.148 0.000 1.997 139 A HA -0.229 4.090 4.320 -0.002 0.000 0.221 139 A C 1.718 179.342 177.584 0.066 0.000 1.172 139 A CA 2.163 54.287 52.037 0.145 0.000 0.645 139 A CB -0.356 18.742 19.000 0.164 0.000 0.813 139 A HN 0.431 nan 8.150 nan 0.000 0.454 140 N N -0.845 117.855 118.700 0.000 0.000 2.205 140 N HA 0.063 4.802 4.740 -0.002 0.000 0.201 140 N C -0.019 175.423 175.510 -0.113 0.000 1.128 140 N CA -0.012 52.992 53.050 -0.077 0.000 0.867 140 N CB 0.305 38.762 38.487 -0.050 0.000 0.996 140 N HN 0.293 nan 8.380 nan 0.000 0.503 141 R N 0.346 120.825 120.500 -0.035 0.000 2.560 141 R HA 0.321 4.659 4.340 -0.002 0.000 0.270 141 R C 0.014 176.268 176.300 -0.078 0.000 1.074 141 R CA -0.274 55.844 56.100 0.029 0.000 1.140 141 R CB 0.217 30.585 30.300 0.113 0.000 1.073 141 R HN -0.084 nan 8.270 nan 0.000 0.527 142 F N 2.007 121.929 119.950 -0.047 0.000 2.403 142 F HA 0.285 4.811 4.527 -0.002 0.000 0.326 142 F C -0.831 174.909 175.800 -0.101 0.000 1.081 142 F CA -2.002 55.978 58.000 -0.034 0.000 1.041 142 F CB 0.501 39.500 39.000 -0.002 0.000 1.234 142 F HN 0.347 nan 8.300 nan 0.000 0.503 143 P HA -0.290 nan 4.420 nan 0.000 0.213 143 P C 1.409 178.752 177.300 0.072 0.000 1.176 143 P CA 2.501 65.672 63.100 0.119 0.000 0.919 143 P CB -0.505 31.289 31.700 0.155 0.000 0.791 144 H N 0.195 119.309 119.070 0.073 0.000 2.539 144 H HA -0.074 4.480 4.556 -0.002 0.000 0.292 144 H C 1.081 176.441 175.328 0.052 0.000 1.069 144 H CA 1.112 57.182 56.048 0.038 0.000 1.244 144 H CB -1.165 28.598 29.762 0.001 0.000 1.365 144 H HN 0.334 nan 8.280 nan 0.000 0.575 145 E N 0.760 120.801 120.200 -0.265 0.000 2.474 145 E HA 0.223 4.571 4.350 -0.002 0.000 0.194 145 E C 0.428 177.019 176.600 -0.016 0.000 1.041 145 E CA -0.180 56.137 56.400 -0.137 0.000 0.874 145 E CB 0.545 30.159 29.700 -0.144 0.000 0.914 145 E HN 0.407 nan 8.360 nan 0.000 0.498 146 L N 1.002 122.219 121.223 -0.010 0.000 2.387 146 L HA 0.272 4.611 4.340 -0.002 0.000 0.266 146 L C 0.850 177.700 176.870 -0.034 0.000 1.059 146 L CA -0.935 53.895 54.840 -0.017 0.000 0.801 146 L CB 1.101 43.124 42.059 -0.059 0.000 1.223 146 L HN -0.030 nan 8.230 nan 0.000 0.456 147 S N -0.204 115.454 115.700 -0.070 0.000 2.634 147 S HA 0.193 4.661 4.470 -0.002 0.000 0.261 147 S C 1.118 175.663 174.600 -0.092 0.000 1.271 147 S CA -0.135 58.022 58.200 -0.071 0.000 0.985 147 S CB 1.173 64.318 63.200 -0.091 0.000 0.968 147 S HN 0.776 nan 8.310 nan 0.000 0.568 148 G N 0.294 109.045 108.800 -0.082 0.000 2.418 148 G HA2 0.049 4.007 3.960 -0.002 0.000 0.217 148 G HA3 0.049 4.007 3.960 -0.002 0.000 0.217 148 G C 1.355 176.147 174.900 -0.181 0.000 1.158 148 G CA 0.516 45.562 45.100 -0.091 0.000 0.771 148 G HN 0.998 nan 8.290 nan 0.000 0.545 149 G N 0.084 108.758 108.800 -0.210 0.000 2.422 149 G HA2 -0.122 3.837 3.960 -0.002 0.000 0.218 149 G HA3 -0.122 3.837 3.960 -0.002 0.000 0.218 149 G C 1.795 176.470 174.900 -0.374 0.000 1.140 149 G CA 0.962 45.873 45.100 -0.316 0.000 0.775 149 G HN 0.518 nan 8.290 nan 0.000 0.545 150 Q N -0.554 119.064 119.800 -0.303 0.000 2.123 150 Q HA -0.059 4.280 4.340 -0.002 0.000 0.199 150 Q C 2.509 178.358 176.000 -0.251 0.000 0.966 150 Q CA 1.223 56.825 55.803 -0.335 0.000 0.845 150 Q CB -0.155 28.351 28.738 -0.387 0.000 0.907 150 Q HN 0.641 nan 8.270 nan 0.000 0.439 151 Q N 1.166 120.857 119.800 -0.182 0.000 2.124 151 Q HA -0.252 4.087 4.340 -0.002 0.000 0.202 151 Q C 2.122 178.063 176.000 -0.100 0.000 0.977 151 Q CA 1.538 57.285 55.803 -0.094 0.000 0.850 151 Q CB 0.013 28.730 28.738 -0.034 0.000 0.901 151 Q HN 0.352 nan 8.270 nan 0.000 0.429 152 Q N -0.033 119.605 119.800 -0.270 0.000 2.124 152 Q HA -0.213 4.125 4.340 -0.002 0.000 0.202 152 Q C 1.894 177.795 176.000 -0.165 0.000 0.977 152 Q CA 1.554 57.085 55.803 -0.453 0.000 0.850 152 Q CB 0.085 28.284 28.738 -0.898 0.000 0.901 152 Q HN 0.402 nan 8.270 nan 0.000 0.429 153 R N -0.649 119.694 120.500 -0.263 0.000 2.115 153 R HA -0.051 4.288 4.340 -0.002 0.000 0.226 153 R C 2.282 178.624 176.300 0.070 0.000 1.100 153 R CA 1.198 57.252 56.100 -0.077 0.000 0.980 153 R CB -0.079 30.080 30.300 -0.235 0.000 0.875 153 R HN 0.112 nan 8.270 nan 0.000 0.445 154 V N 1.003 120.922 119.914 0.010 0.000 2.379 154 V HA -0.154 3.964 4.120 -0.002 0.000 0.245 154 V C 2.413 178.562 176.094 0.093 0.000 1.044 154 V CA 1.793 64.121 62.300 0.048 0.000 1.036 154 V CB -0.576 31.257 31.823 0.017 0.000 0.664 154 V HN 0.382 nan 8.190 nan 0.000 0.453 155 A N 0.001 122.895 122.820 0.123 0.000 1.883 155 A HA -0.170 4.149 4.320 -0.002 0.000 0.217 155 A C 2.192 179.880 177.584 0.173 0.000 1.186 155 A CA 1.664 53.800 52.037 0.165 0.000 0.624 155 A CB -0.542 18.648 19.000 0.318 0.000 0.822 155 A HN 0.380 nan 8.150 nan 0.000 0.444 156 L N -0.790 120.585 121.223 0.253 0.000 2.056 156 L HA -0.149 4.190 4.340 -0.002 0.000 0.207 156 L C 3.020 179.994 176.870 0.173 0.000 1.078 156 L CA 1.999 56.986 54.840 0.244 0.000 0.749 156 L CB -1.618 40.671 42.059 0.382 0.000 0.901 156 L HN 0.474 nan 8.230 nan 0.000 0.433 157 A N -0.308 122.620 122.820 0.180 0.000 1.933 157 A HA -0.242 4.077 4.320 -0.002 0.000 0.218 157 A C 2.498 180.138 177.584 0.094 0.000 1.175 157 A CA 1.653 53.776 52.037 0.144 0.000 0.628 157 A CB -0.534 18.547 19.000 0.136 0.000 0.814 157 A HN 0.367 nan 8.150 nan 0.000 0.444 158 R N -0.357 120.198 120.500 0.090 0.000 2.081 158 R HA -0.077 4.261 4.340 -0.002 0.000 0.235 158 R C 2.241 178.587 176.300 0.077 0.000 1.131 158 R CA 1.430 57.584 56.100 0.090 0.000 0.960 158 R CB -0.396 29.959 30.300 0.092 0.000 0.856 158 R HN 0.416 nan 8.270 nan 0.000 0.436 159 A N 0.679 123.526 122.820 0.044 0.000 1.969 159 A HA -0.074 4.245 4.320 -0.002 0.000 0.218 159 A C 2.066 179.653 177.584 0.004 0.000 1.169 159 A CA 1.037 53.071 52.037 -0.005 0.000 0.635 159 A CB -0.268 18.671 19.000 -0.101 0.000 0.810 159 A HN 0.358 nan 8.150 nan 0.000 0.445 160 L N -1.248 119.990 121.223 0.025 0.000 2.375 160 L HA 0.044 4.383 4.340 -0.002 0.000 0.215 160 L C 2.906 179.783 176.870 0.012 0.000 1.108 160 L CA 0.528 55.378 54.840 0.016 0.000 0.830 160 L CB -0.366 41.709 42.059 0.026 0.000 0.959 160 L HN 0.384 nan 8.230 nan 0.000 0.457 161 A N 1.349 124.185 122.820 0.026 0.000 1.903 161 A HA -0.169 4.150 4.320 -0.002 0.000 0.219 161 A C -0.372 177.218 177.584 0.009 0.000 1.191 161 A CA 1.913 53.959 52.037 0.015 0.000 0.638 161 A CB -1.837 17.175 19.000 0.021 0.000 0.823 161 A HN 0.280 nan 8.150 nan 0.000 0.451 162 P HA 0.000 nan 4.420 nan 0.000 0.242 162 P C 0.066 177.370 177.300 0.006 0.000 1.197 162 P CA -0.041 63.069 63.100 0.016 0.000 0.765 162 P CB 0.134 31.853 31.700 0.031 0.000 0.936 163 R N -1.133 119.366 120.500 -0.002 0.000 3.201 163 R HA -0.088 4.251 4.340 -0.002 0.000 0.254 163 R C -2.241 174.057 176.300 -0.003 0.000 0.978 163 R CA 0.207 56.301 56.100 -0.010 0.000 0.661 163 R CB -2.127 28.165 30.300 -0.013 0.000 1.170 163 R HN 0.274 nan 8.270 nan 0.000 0.430 164 P HA 0.072 nan 4.420 nan 0.000 0.274 164 P C 0.447 177.753 177.300 0.011 0.000 1.237 164 P CA -0.204 62.900 63.100 0.006 0.000 0.793 164 P CB 0.571 32.270 31.700 -0.001 0.000 0.977 165 Q N -0.196 119.618 119.800 0.023 0.000 2.187 165 Q HA 0.077 4.416 4.340 -0.002 0.000 0.199 165 Q C 0.207 176.237 176.000 0.050 0.000 0.957 165 Q CA 0.910 56.734 55.803 0.034 0.000 0.857 165 Q CB 0.197 28.962 28.738 0.046 0.000 0.929 165 Q HN 0.257 nan 8.270 nan 0.000 0.453 166 V N 1.139 121.082 119.914 0.048 0.000 2.656 166 V HA 0.342 4.461 4.120 -0.002 0.000 0.307 166 V C -0.726 175.384 176.094 0.027 0.000 1.051 166 V CA -0.603 61.735 62.300 0.064 0.000 0.893 166 V CB 2.111 33.976 31.823 0.071 0.000 0.999 166 V HN 0.147 nan 8.190 nan 0.000 0.426 167 L N 5.429 126.682 121.223 0.051 0.000 2.322 167 L HA 0.617 4.956 4.340 -0.002 0.000 0.281 167 L C -0.956 175.853 176.870 -0.101 0.000 1.014 167 L CA -0.517 54.273 54.840 -0.084 0.000 0.815 167 L CB 1.733 43.777 42.059 -0.026 0.000 1.247 167 L HN 0.430 nan 8.230 nan 0.000 0.421 168 L N 3.662 124.708 121.223 -0.294 0.000 2.341 168 L HA 0.536 4.875 4.340 -0.002 0.000 0.278 168 L C -1.149 175.488 176.870 -0.388 0.000 1.005 168 L CA -0.447 54.286 54.840 -0.178 0.000 0.818 168 L CB 1.727 43.702 42.059 -0.140 0.000 1.259 168 L HN 0.350 nan 8.230 nan 0.000 0.418 169 F N 0.735 120.630 119.950 -0.091 0.000 2.507 169 F HA 0.331 4.857 4.527 -0.002 0.000 0.325 169 F C 0.073 175.766 175.800 -0.178 0.000 1.116 169 F CA -0.847 57.048 58.000 -0.175 0.000 0.930 169 F CB 1.658 40.555 39.000 -0.172 0.000 1.146 169 F HN 0.320 nan 8.300 nan 0.000 0.447 170 D N 3.608 123.958 120.400 -0.083 0.000 2.427 170 D HA 0.161 4.800 4.640 -0.002 0.000 0.226 170 D C -0.177 176.040 176.300 -0.138 0.000 1.076 170 D CA 0.031 53.984 54.000 -0.079 0.000 0.849 170 D CB 0.451 41.209 40.800 -0.071 0.000 1.052 170 D HN 0.519 nan 8.370 nan 0.000 0.515 171 E N 3.017 123.125 120.200 -0.154 0.000 2.252 171 E HA -0.160 4.189 4.350 -0.002 0.000 0.218 171 E C -1.666 174.716 176.600 -0.363 0.000 1.253 171 E CA 0.226 56.474 56.400 -0.253 0.000 0.705 171 E CB -0.784 28.826 29.700 -0.150 0.000 1.172 171 E HN 0.586 nan 8.360 nan 0.000 0.369 172 P HA -0.123 nan 4.420 nan 0.000 0.225 172 P C 0.866 177.914 177.300 -0.419 0.000 1.148 172 P CA 1.120 63.842 63.100 -0.630 0.000 0.779 172 P CB -0.106 30.976 31.700 -1.030 0.000 0.780 173 F N -0.816 119.081 119.950 -0.087 0.000 2.688 173 F HA 0.436 4.962 4.527 -0.002 0.000 0.310 173 F C 1.261 177.051 175.800 -0.017 0.000 1.098 173 F CA -0.949 57.014 58.000 -0.060 0.000 1.228 173 F CB -0.067 38.839 39.000 -0.156 0.000 1.042 173 F HN -0.196 nan 8.300 nan 0.000 0.557 174 A N 1.864 124.736 122.820 0.087 0.000 2.492 174 A HA 0.638 4.956 4.320 -0.002 0.000 0.254 174 A C 0.290 177.958 177.584 0.140 0.000 1.091 174 A CA 0.588 52.695 52.037 0.117 0.000 0.768 174 A CB -0.273 18.784 19.000 0.095 0.000 1.028 174 A HN 0.468 nan 8.150 nan 0.000 0.498 175 A N 1.946 124.849 122.820 0.137 0.000 2.569 175 A HA 0.516 4.835 4.320 -0.002 0.000 0.292 175 A C 0.362 177.995 177.584 0.082 0.000 1.032 175 A CA -0.292 51.804 52.037 0.098 0.000 0.669 175 A CB -0.247 18.801 19.000 0.079 0.000 1.290 175 A HN 0.727 nan 8.150 nan 0.000 0.422 176 I N -0.155 120.449 120.570 0.058 0.000 2.353 176 I HA -0.044 4.125 4.170 -0.002 0.000 0.248 176 I C 0.631 176.765 176.117 0.028 0.000 1.119 176 I CA 1.040 62.366 61.300 0.043 0.000 1.417 176 I CB 0.085 38.105 38.000 0.034 0.000 1.078 176 I HN 0.580 nan 8.210 nan 0.000 0.421 177 D N 0.911 121.325 120.400 0.023 0.000 2.168 177 D HA 0.082 4.721 4.640 -0.002 0.000 0.246 177 D C 1.194 177.490 176.300 -0.006 0.000 1.050 177 D CA 0.105 54.109 54.000 0.006 0.000 0.857 177 D CB 2.035 42.840 40.800 0.009 0.000 1.169 177 D HN 0.100 nan 8.370 nan 0.000 0.453 178 T N 0.691 115.224 114.554 -0.035 0.000 2.759 178 T HA -0.261 4.088 4.350 -0.002 0.000 0.269 178 T C 1.608 176.283 174.700 -0.042 0.000 1.042 178 T CA 1.269 63.335 62.100 -0.056 0.000 1.140 178 T CB -0.065 68.731 68.868 -0.119 0.000 0.864 178 T HN 0.506 nan 8.240 nan 0.000 0.455 179 Q N 0.658 120.440 119.800 -0.030 0.000 2.084 179 Q HA -0.080 4.259 4.340 -0.002 0.000 0.202 179 Q C 2.317 178.305 176.000 -0.021 0.000 0.978 179 Q CA 1.633 57.421 55.803 -0.024 0.000 0.844 179 Q CB -0.362 28.368 28.738 -0.013 0.000 0.898 179 Q HN 0.723 nan 8.270 nan 0.000 0.426 180 I N 0.172 120.736 120.570 -0.010 0.000 2.163 180 I HA -0.289 3.879 4.170 -0.002 0.000 0.240 180 I C 2.537 178.661 176.117 0.011 0.000 1.081 180 I CA 1.171 62.468 61.300 -0.004 0.000 1.353 180 I CB -0.383 37.623 38.000 0.009 0.000 1.054 180 I HN 0.118 nan 8.210 nan 0.000 0.407 181 R N 0.498 121.012 120.500 0.023 0.000 2.119 181 R HA -0.238 4.101 4.340 -0.002 0.000 0.246 181 R C 2.459 178.747 176.300 -0.019 0.000 1.146 181 R CA 1.724 57.848 56.100 0.039 0.000 0.962 181 R CB -0.582 29.736 30.300 0.029 0.000 0.863 181 R HN 0.384 nan 8.270 nan 0.000 0.442 182 R N 1.251 121.722 120.500 -0.049 0.000 2.092 182 R HA -0.130 4.208 4.340 -0.002 0.000 0.231 182 R C 1.770 178.039 176.300 -0.053 0.000 1.119 182 R CA 1.462 57.514 56.100 -0.080 0.000 0.970 182 R CB 0.078 30.337 30.300 -0.068 0.000 0.864 182 R HN 0.316 nan 8.270 nan 0.000 0.440 183 E N 0.379 120.564 120.200 -0.026 0.000 2.047 183 E HA -0.171 4.178 4.350 -0.002 0.000 0.191 183 E C 2.070 178.686 176.600 0.026 0.000 0.987 183 E CA 1.353 57.744 56.400 -0.015 0.000 0.799 183 E CB -0.067 29.610 29.700 -0.039 0.000 0.752 183 E HN 0.319 nan 8.360 nan 0.000 0.449 184 L N 0.739 121.990 121.223 0.046 0.000 2.042 184 L HA -0.203 4.136 4.340 -0.002 0.000 0.210 184 L C 2.794 179.796 176.870 0.220 0.000 1.076 184 L CA 1.201 56.122 54.840 0.134 0.000 0.749 184 L CB -0.517 41.658 42.059 0.193 0.000 0.893 184 L HN 0.101 nan 8.230 nan 0.000 0.432 185 R N -0.007 120.550 120.500 0.095 0.000 2.081 185 R HA -0.146 4.193 4.340 -0.002 0.000 0.235 185 R C 2.161 178.410 176.300 -0.084 0.000 1.131 185 R CA 2.025 58.038 56.100 -0.146 0.000 0.960 185 R CB -0.320 29.619 30.300 -0.602 0.000 0.856 185 R HN 0.298 nan 8.270 nan 0.000 0.436 186 T N 0.856 115.387 114.554 -0.038 0.000 2.777 186 T HA -0.143 4.206 4.350 -0.002 0.000 0.266 186 T C 1.349 176.084 174.700 0.058 0.000 1.040 186 T CA 1.391 63.485 62.100 -0.009 0.000 1.141 186 T CB -0.387 68.483 68.868 0.002 0.000 0.868 186 T HN 0.245 nan 8.240 nan 0.000 0.444 187 F N 2.088 122.018 119.950 -0.033 0.000 2.075 187 F HA -0.105 4.421 4.527 -0.002 0.000 0.297 187 F C 2.287 178.105 175.800 0.030 0.000 1.113 187 F CA 0.668 58.657 58.000 -0.017 0.000 1.218 187 F CB -0.814 38.157 39.000 -0.048 0.000 0.984 187 F HN -0.106 nan 8.300 nan 0.000 0.472 188 V N 1.064 120.980 119.914 0.004 0.000 2.282 188 V HA -0.365 3.754 4.120 -0.002 0.000 0.249 188 V C 2.579 178.605 176.094 -0.113 0.000 1.057 188 V CA 2.420 64.651 62.300 -0.115 0.000 1.032 188 V CB -0.840 30.912 31.823 -0.118 0.000 0.645 188 V HN 0.322 nan 8.190 nan 0.000 0.447 189 R N 0.383 120.841 120.500 -0.071 0.000 2.081 189 R HA -0.183 4.156 4.340 -0.002 0.000 0.235 189 R C 2.275 178.590 176.300 0.025 0.000 1.131 189 R CA 2.148 58.235 56.100 -0.021 0.000 0.960 189 R CB -0.811 29.462 30.300 -0.045 0.000 0.856 189 R HN 0.647 nan 8.270 nan 0.000 0.436 190 Q N -0.359 119.415 119.800 -0.043 0.000 2.050 190 Q HA -0.106 4.233 4.340 -0.002 0.000 0.202 190 Q C 1.896 177.876 176.000 -0.033 0.000 0.980 190 Q CA 2.154 57.936 55.803 -0.035 0.000 0.840 190 Q CB 0.007 28.712 28.738 -0.055 0.000 0.898 190 Q HN 0.278 nan 8.270 nan 0.000 0.424 191 V N 0.265 120.072 119.914 -0.177 0.000 2.343 191 V HA -0.283 3.836 4.120 -0.002 0.000 0.247 191 V C 2.217 178.346 176.094 0.058 0.000 1.051 191 V CA 2.285 64.541 62.300 -0.073 0.000 1.036 191 V CB -0.883 30.759 31.823 -0.301 0.000 0.654 191 V HN 0.569 nan 8.190 nan 0.000 0.451 192 H N 0.590 119.660 119.070 0.000 0.000 2.289 192 H HA -0.202 4.353 4.556 -0.002 0.000 0.296 192 H C 2.083 177.435 175.328 0.040 0.000 1.091 192 H CA 2.376 58.458 56.048 0.057 0.000 1.274 192 H CB -0.198 29.601 29.762 0.062 0.000 1.364 192 H HN 0.389 nan 8.280 nan 0.000 0.490 193 D N -0.132 120.284 120.400 0.027 0.000 2.097 193 D HA -0.134 4.505 4.640 -0.002 0.000 0.197 193 D C 2.219 178.485 176.300 -0.057 0.000 0.984 193 D CA 1.416 55.398 54.000 -0.031 0.000 0.826 193 D CB -0.353 40.491 40.800 0.072 0.000 0.973 193 D HN 0.525 nan 8.370 nan 0.000 0.460 194 E N -0.346 119.859 120.200 0.008 0.000 2.077 194 E HA -0.092 4.257 4.350 -0.002 0.000 0.193 194 E C 1.761 178.315 176.600 -0.077 0.000 0.989 194 E CA 0.877 57.292 56.400 0.025 0.000 0.800 194 E CB 0.108 29.925 29.700 0.194 0.000 0.746 194 E HN 0.046 nan 8.360 nan 0.000 0.452 195 M N -0.984 118.554 119.600 -0.103 0.000 2.595 195 M HA 0.193 4.672 4.480 -0.002 0.000 0.248 195 M C 1.177 177.392 176.300 -0.142 0.000 1.119 195 M CA 0.997 56.203 55.300 -0.157 0.000 1.079 195 M CB -0.280 32.246 32.600 -0.123 0.000 1.472 195 M HN 0.274 nan 8.290 nan 0.000 0.501 196 G N 1.802 110.500 108.800 -0.170 0.000 2.249 196 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.273 196 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.273 196 G C 0.195 175.008 174.900 -0.144 0.000 1.036 196 G CA 0.421 45.424 45.100 -0.162 0.000 0.824 196 G HN 0.504 nan 8.290 nan 0.000 0.504 197 V N -3.670 116.133 119.914 -0.185 0.000 3.302 197 V HA 0.946 5.065 4.120 -0.002 0.000 0.316 197 V C 0.575 176.675 176.094 0.010 0.000 1.111 197 V CA -0.414 61.854 62.300 -0.054 0.000 1.029 197 V CB 1.725 33.564 31.823 0.027 0.000 1.170 197 V HN 0.291 nan 8.190 nan 0.000 0.452 198 T N 1.693 116.331 114.554 0.140 0.000 2.794 198 T HA 0.630 4.979 4.350 -0.002 0.000 0.280 198 T C -0.227 174.643 174.700 0.284 0.000 0.987 198 T CA -0.159 62.083 62.100 0.237 0.000 0.993 198 T CB 1.186 70.146 68.868 0.153 0.000 0.939 198 T HN 0.888 nan 8.240 nan 0.000 0.449 199 S N 1.731 117.634 115.700 0.338 0.000 2.542 199 S HA 0.766 5.235 4.470 -0.002 0.000 0.293 199 S C -0.844 173.874 174.600 0.197 0.000 1.089 199 S CA -0.722 57.678 58.200 0.332 0.000 0.961 199 S CB 1.749 65.224 63.200 0.460 0.000 1.062 199 S HN 0.484 nan 8.310 nan 0.000 0.483 200 V N 3.517 123.555 119.914 0.207 0.000 2.709 200 V HA 0.720 4.839 4.120 -0.002 0.000 0.308 200 V C -1.214 174.973 176.094 0.156 0.000 1.062 200 V CA -0.789 61.529 62.300 0.029 0.000 0.901 200 V CB 1.312 33.109 31.823 -0.043 0.000 1.003 200 V HN 0.858 nan 8.190 nan 0.000 0.425 201 F N 3.255 123.225 119.950 0.033 0.000 2.613 201 F HA 0.933 5.459 4.527 -0.002 0.000 0.314 201 F C -0.982 174.792 175.800 -0.044 0.000 1.075 201 F CA -1.508 56.496 58.000 0.006 0.000 0.945 201 F CB 1.833 40.757 39.000 -0.126 0.000 1.310 201 F HN 0.355 nan 8.300 nan 0.000 0.467 202 V N 1.001 121.032 119.914 0.194 0.000 2.628 202 V HA 0.858 4.977 4.120 -0.002 0.000 0.306 202 V C -0.991 175.203 176.094 0.166 0.000 1.045 202 V CA 0.172 62.542 62.300 0.118 0.000 0.905 202 V CB 1.860 33.706 31.823 0.038 0.000 0.997 202 V HN 1.253 nan 8.190 nan 0.000 0.436 203 T N 3.504 118.167 114.554 0.182 0.000 2.830 203 T HA 0.401 4.750 4.350 -0.002 0.000 0.322 203 T C 0.056 174.830 174.700 0.123 0.000 1.501 203 T CA 0.141 62.282 62.100 0.069 0.000 1.036 203 T CB 1.308 70.254 68.868 0.131 0.000 1.379 203 T HN 0.951 nan 8.240 nan 0.000 0.493 204 H N 0.480 119.652 119.070 0.171 0.000 2.705 204 H HA 0.324 4.879 4.556 -0.002 0.000 0.269 204 H C -0.577 174.840 175.328 0.148 0.000 0.998 204 H CA -0.364 55.782 56.048 0.163 0.000 1.193 204 H CB 0.473 30.309 29.762 0.125 0.000 1.485 204 H HN 0.394 nan 8.280 nan 0.000 0.521 205 D N 2.913 123.380 120.400 0.113 0.000 2.619 205 D HA -0.007 4.632 4.640 -0.002 0.000 0.224 205 D C 1.103 177.501 176.300 0.164 0.000 1.133 205 D CA 0.134 54.248 54.000 0.191 0.000 1.017 205 D CB 1.178 42.075 40.800 0.162 0.000 1.077 205 D HN 0.496 nan 8.370 nan 0.000 0.503 206 Q N 1.014 120.899 119.800 0.141 0.000 2.112 206 Q HA -0.223 4.116 4.340 -0.002 0.000 0.206 206 Q C 1.335 177.365 176.000 0.050 0.000 0.987 206 Q CA 1.460 57.322 55.803 0.100 0.000 0.858 206 Q CB 0.325 29.068 28.738 0.008 0.000 0.905 206 Q HN 0.473 nan 8.270 nan 0.000 0.420 207 E N -0.117 120.095 120.200 0.019 0.000 2.077 207 E HA -0.217 4.132 4.350 -0.002 0.000 0.193 207 E C 1.911 178.449 176.600 -0.104 0.000 0.989 207 E CA 1.306 57.688 56.400 -0.029 0.000 0.800 207 E CB 0.036 29.730 29.700 -0.008 0.000 0.746 207 E HN 0.334 nan 8.360 nan 0.000 0.452 208 E N 0.710 120.813 120.200 -0.161 0.000 2.106 208 E HA -0.130 4.219 4.350 -0.002 0.000 0.192 208 E C 1.848 178.156 176.600 -0.487 0.000 0.984 208 E CA 1.082 57.228 56.400 -0.423 0.000 0.806 208 E CB -0.268 29.049 29.700 -0.639 0.000 0.750 208 E HN 0.276 nan 8.360 nan 0.000 0.458 209 A N 0.633 123.351 122.820 -0.170 0.000 1.877 209 A HA -0.167 4.152 4.320 -0.002 0.000 0.216 209 A C 2.170 179.823 177.584 0.114 0.000 1.186 209 A CA 1.308 53.433 52.037 0.147 0.000 0.620 209 A CB -0.746 18.521 19.000 0.444 0.000 0.822 209 A HN 0.225 nan 8.150 nan 0.000 0.443 210 L N -0.565 120.680 121.223 0.036 0.000 2.201 210 L HA -0.126 4.213 4.340 -0.002 0.000 0.212 210 L C 2.359 179.197 176.870 -0.053 0.000 1.105 210 L CA 0.947 55.792 54.840 0.008 0.000 0.775 210 L CB -0.478 41.569 42.059 -0.021 0.000 0.913 210 L HN 0.363 nan 8.230 nan 0.000 0.440 211 E N -0.616 119.516 120.200 -0.114 0.000 2.216 211 E HA -0.102 4.246 4.350 -0.002 0.000 0.192 211 E C 2.085 178.607 176.600 -0.131 0.000 0.988 211 E CA 0.903 57.221 56.400 -0.136 0.000 0.834 211 E CB 0.205 29.797 29.700 -0.181 0.000 0.772 211 E HN 0.306 nan 8.360 nan 0.000 0.479 212 V N 0.160 119.986 119.914 -0.147 0.000 3.379 212 V HA 0.284 4.403 4.120 -0.002 0.000 0.249 212 V C 0.673 176.774 176.094 0.012 0.000 1.184 212 V CA 0.518 62.747 62.300 -0.118 0.000 1.106 212 V CB 0.412 32.068 31.823 -0.277 0.000 0.826 212 V HN 0.091 nan 8.190 nan 0.000 0.465 213 A N 0.028 122.921 122.820 0.123 0.000 2.351 213 A HA 0.310 4.629 4.320 -0.002 0.000 0.257 213 A C 0.886 178.496 177.584 0.043 0.000 1.087 213 A CA 0.183 52.307 52.037 0.145 0.000 0.798 213 A CB 0.167 19.282 19.000 0.191 0.000 1.033 213 A HN 0.427 nan 8.150 nan 0.000 0.488 214 D N 0.214 120.624 120.400 0.016 0.000 2.162 214 D HA 0.051 4.689 4.640 -0.002 0.000 0.205 214 D C 0.545 176.832 176.300 -0.023 0.000 0.964 214 D CA 1.235 55.233 54.000 -0.004 0.000 0.847 214 D CB 0.199 41.000 40.800 0.002 0.000 0.988 214 D HN 0.532 nan 8.370 nan 0.000 0.480 215 R N -0.356 120.134 120.500 -0.017 0.000 2.774 215 R HA 0.529 4.867 4.340 -0.002 0.000 0.272 215 R C -1.075 175.261 176.300 0.060 0.000 1.000 215 R CA -0.783 55.304 56.100 -0.022 0.000 0.906 215 R CB 3.109 33.307 30.300 -0.169 0.000 1.227 215 R HN -0.135 nan 8.270 nan 0.000 0.468 216 V N -0.753 119.231 119.914 0.115 0.000 2.876 216 V HA 0.620 4.739 4.120 -0.002 0.000 0.312 216 V C -0.726 175.471 176.094 0.172 0.000 1.085 216 V CA -1.063 61.283 62.300 0.078 0.000 0.945 216 V CB 2.020 33.879 31.823 0.061 0.000 1.017 216 V HN 0.565 nan 8.190 nan 0.000 0.428 217 L N 3.762 124.944 121.223 -0.068 0.000 2.272 217 L HA 0.608 4.947 4.340 -0.002 0.000 0.289 217 L C -0.582 176.221 176.870 -0.111 0.000 1.032 217 L CA -0.683 54.024 54.840 -0.222 0.000 0.810 217 L CB 1.875 43.551 42.059 -0.639 0.000 1.205 217 L HN 0.612 nan 8.230 nan 0.000 0.422 218 V N 5.188 125.087 119.914 -0.026 0.000 2.333 218 V HA 0.319 4.438 4.120 -0.002 0.000 0.274 218 V C 0.181 176.256 176.094 -0.031 0.000 1.028 218 V CA -0.570 61.737 62.300 0.012 0.000 0.851 218 V CB 1.355 33.240 31.823 0.103 0.000 1.000 218 V HN 0.432 nan 8.190 nan 0.000 0.456 219 L N 4.523 125.694 121.223 -0.087 0.000 2.343 219 L HA 0.592 4.931 4.340 -0.002 0.000 0.275 219 L C -0.110 176.662 176.870 -0.162 0.000 1.056 219 L CA -0.066 54.709 54.840 -0.109 0.000 0.804 219 L CB 1.101 43.100 42.059 -0.100 0.000 1.203 219 L HN 0.740 nan 8.230 nan 0.000 0.440 220 H N 3.797 122.644 119.070 -0.372 0.000 3.149 220 H HA 0.105 4.660 4.556 -0.002 0.000 0.334 220 H C -0.494 174.611 175.328 -0.371 0.000 1.000 220 H CA -0.348 55.334 56.048 -0.610 0.000 1.415 220 H CB 1.244 30.297 29.762 -1.182 0.000 1.819 220 H HN 0.695 nan 8.280 nan 0.000 0.486 221 E N 3.383 123.354 120.200 -0.382 0.000 2.328 221 E HA -0.238 4.111 4.350 -0.002 0.000 0.233 221 E C 0.951 177.430 176.600 -0.203 0.000 1.219 221 E CA 1.207 57.410 56.400 -0.329 0.000 0.717 221 E CB -1.628 27.765 29.700 -0.511 0.000 1.210 221 E HN 1.148 nan 8.360 nan 0.000 0.381 222 G N -0.532 108.192 108.800 -0.127 0.000 2.176 222 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.253 222 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.253 222 G C 0.101 174.966 174.900 -0.059 0.000 0.979 222 G CA 0.348 45.409 45.100 -0.066 0.000 0.641 222 G HN 0.326 nan 8.290 nan 0.000 0.530 223 N N -0.728 117.914 118.700 -0.097 0.000 2.312 223 N HA 0.540 5.279 4.740 -0.002 0.000 0.296 223 N C -0.236 175.236 175.510 -0.063 0.000 1.193 223 N CA -0.415 52.596 53.050 -0.065 0.000 0.773 223 N CB 2.252 40.691 38.487 -0.080 0.000 1.435 223 N HN 0.024 nan 8.380 nan 0.000 0.484 224 V N 2.354 122.250 119.914 -0.029 0.000 2.427 224 V HA 0.081 4.199 4.120 -0.002 0.000 0.268 224 V C 1.484 177.575 176.094 -0.004 0.000 1.046 224 V CA 0.032 62.314 62.300 -0.031 0.000 0.970 224 V CB 0.839 32.647 31.823 -0.024 0.000 1.001 224 V HN 0.594 nan 8.190 nan 0.000 0.476 225 E N 3.134 123.336 120.200 0.003 0.000 2.112 225 E HA -0.004 4.344 4.350 -0.002 0.000 0.190 225 E C 0.654 177.294 176.600 0.067 0.000 0.979 225 E CA 0.605 57.028 56.400 0.038 0.000 0.814 225 E CB 0.599 30.351 29.700 0.087 0.000 0.762 225 E HN 0.766 nan 8.360 nan 0.000 0.460 226 Q N -0.870 118.978 119.800 0.080 0.000 2.438 226 Q HA 0.251 4.589 4.340 -0.002 0.000 0.272 226 Q C -2.067 174.039 176.000 0.177 0.000 0.994 226 Q CA -0.451 55.419 55.803 0.112 0.000 0.887 226 Q CB 1.545 30.338 28.738 0.091 0.000 1.432 226 Q HN -0.027 nan 8.270 nan 0.000 0.392 227 F N 2.586 122.527 119.950 -0.014 0.000 2.496 227 F HA 0.856 5.382 4.527 -0.002 0.000 0.341 227 F C -0.569 175.216 175.800 -0.026 0.000 1.134 227 F CA -0.254 57.721 58.000 -0.042 0.000 0.968 227 F CB 1.275 40.246 39.000 -0.047 0.000 1.205 227 F HN 0.581 nan 8.300 nan 0.000 0.436 228 G N 2.437 111.262 108.800 0.043 0.000 2.554 228 G HA2 0.457 4.416 3.960 -0.002 0.000 0.306 228 G HA3 0.457 4.416 3.960 -0.002 0.000 0.306 228 G C -0.952 173.906 174.900 -0.069 0.000 1.320 228 G CA -0.232 44.801 45.100 -0.112 0.000 0.800 228 G HN 0.689 nan 8.290 nan 0.000 0.481 229 T N -1.118 113.397 114.554 -0.065 0.000 2.813 229 T HA 0.424 4.773 4.350 -0.002 0.000 0.297 229 T C -1.555 173.156 174.700 0.019 0.000 1.036 229 T CA -0.790 61.291 62.100 -0.031 0.000 1.044 229 T CB 1.752 70.601 68.868 -0.031 0.000 0.993 229 T HN 0.105 nan 8.240 nan 0.000 0.535 230 P HA -0.078 nan 4.420 nan 0.000 0.216 230 P C 1.470 178.817 177.300 0.078 0.000 1.150 230 P CA 0.999 64.132 63.100 0.055 0.000 0.837 230 P CB 0.091 31.804 31.700 0.022 0.000 0.786 231 E N -0.055 120.174 120.200 0.048 0.000 2.106 231 E HA -0.202 4.147 4.350 -0.002 0.000 0.192 231 E C 1.741 178.403 176.600 0.103 0.000 0.984 231 E CA 0.994 57.439 56.400 0.074 0.000 0.806 231 E CB -0.129 29.591 29.700 0.035 0.000 0.750 231 E HN 0.298 nan 8.360 nan 0.000 0.458 232 E N 0.131 120.369 120.200 0.063 0.000 2.047 232 E HA -0.177 4.172 4.350 -0.002 0.000 0.191 232 E C 2.337 178.977 176.600 0.067 0.000 0.987 232 E CA 1.667 58.100 56.400 0.054 0.000 0.799 232 E CB -0.108 29.604 29.700 0.019 0.000 0.752 232 E HN 0.329 nan 8.360 nan 0.000 0.449 233 V N -0.915 119.045 119.914 0.077 0.000 2.626 233 V HA -0.213 3.905 4.120 -0.002 0.000 0.252 233 V C 2.032 178.167 176.094 0.068 0.000 1.067 233 V CA 1.462 63.802 62.300 0.067 0.000 1.081 233 V CB -0.759 31.115 31.823 0.085 0.000 0.686 233 V HN 0.225 nan 8.190 nan 0.000 0.468 234 Y N 1.169 121.474 120.300 0.008 0.000 2.269 234 Y HA 0.120 4.669 4.550 -0.002 0.000 0.294 234 Y C 2.602 178.549 175.900 0.079 0.000 1.120 234 Y CA 1.756 59.868 58.100 0.020 0.000 1.159 234 Y CB 0.279 38.753 38.460 0.025 0.000 1.024 234 Y HN 0.189 nan 8.280 nan 0.000 0.532 235 E N 0.150 120.505 120.200 0.258 0.000 2.250 235 E HA 0.001 4.349 4.350 -0.002 0.000 0.192 235 E C 0.276 176.994 176.600 0.197 0.000 0.986 235 E CA 0.725 57.272 56.400 0.246 0.000 0.849 235 E CB 0.208 30.035 29.700 0.211 0.000 0.797 235 E HN 0.234 nan 8.360 nan 0.000 0.482 236 K N 1.044 121.500 120.400 0.094 0.000 3.163 236 K HA 0.199 4.518 4.320 -0.002 0.000 0.186 236 K C -2.605 173.989 176.600 -0.010 0.000 1.111 236 K CA -1.542 54.781 56.287 0.060 0.000 0.918 236 K CB 1.280 33.816 32.500 0.060 0.000 1.059 236 K HN -0.029 nan 8.250 nan 0.000 0.558 237 P HA -0.033 nan 4.420 nan 0.000 0.264 237 P C 0.645 177.943 177.300 -0.003 0.000 1.193 237 P CA 0.334 63.355 63.100 -0.131 0.000 0.763 237 P CB 1.417 32.911 31.700 -0.344 0.000 0.810 238 G N 2.592 111.405 108.800 0.021 0.000 2.534 238 G HA2 0.008 3.967 3.960 -0.002 0.000 0.217 238 G HA3 0.008 3.967 3.960 -0.002 0.000 0.217 238 G C 0.464 175.429 174.900 0.108 0.000 1.128 238 G CA 0.786 45.932 45.100 0.076 0.000 0.784 238 G HN 0.734 nan 8.290 nan 0.000 0.542 239 T N -3.733 110.807 114.554 -0.024 0.000 2.816 239 T HA 0.409 4.757 4.350 -0.002 0.000 0.299 239 T C 0.825 175.040 174.700 -0.808 0.000 1.230 239 T CA -0.406 61.587 62.100 -0.178 0.000 1.007 239 T CB 1.497 70.324 68.868 -0.069 0.000 1.289 239 T HN 0.004 nan 8.240 nan 0.000 0.508 240 L N 0.575 121.124 121.223 -1.124 0.000 2.079 240 L HA 0.119 4.458 4.340 -0.002 0.000 0.210 240 L C 2.039 178.532 176.870 -0.628 0.000 1.081 240 L CA 1.902 55.969 54.840 -1.289 0.000 0.752 240 L CB -1.283 40.374 42.059 -0.670 0.000 0.896 240 L HN 0.773 nan 8.230 nan 0.000 0.433 241 F N -0.585 119.096 119.950 -0.448 0.000 2.095 241 F HA -0.211 4.315 4.527 -0.002 0.000 0.298 241 F C 2.157 177.786 175.800 -0.284 0.000 1.104 241 F CA 2.173 59.958 58.000 -0.359 0.000 1.232 241 F CB -0.614 38.143 39.000 -0.404 0.000 0.987 241 F HN -0.065 nan 8.300 nan 0.000 0.475 242 V N 0.691 120.433 119.914 -0.288 0.000 2.343 242 V HA -0.305 3.814 4.120 -0.002 0.000 0.247 242 V C 2.771 178.644 176.094 -0.370 0.000 1.051 242 V CA 1.782 63.922 62.300 -0.267 0.000 1.036 242 V CB -1.667 30.105 31.823 -0.085 0.000 0.654 242 V HN 0.511 nan 8.190 nan 0.000 0.451 243 A N -0.339 122.195 122.820 -0.477 0.000 1.933 243 A HA -0.194 4.124 4.320 -0.002 0.000 0.218 243 A C 2.465 179.805 177.584 -0.407 0.000 1.175 243 A CA 2.312 54.034 52.037 -0.524 0.000 0.628 243 A CB -0.539 18.118 19.000 -0.572 0.000 0.814 243 A HN 0.535 nan 8.150 nan 0.000 0.444 244 S N -1.449 113.990 115.700 -0.436 0.000 2.362 244 S HA -0.004 4.465 4.470 -0.002 0.000 0.221 244 S C 1.684 176.056 174.600 -0.380 0.000 1.032 244 S CA 1.128 59.100 58.200 -0.379 0.000 0.973 244 S CB -0.470 62.496 63.200 -0.390 0.000 0.849 244 S HN 0.609 nan 8.310 nan 0.000 0.465 245 F N 2.305 121.858 119.950 -0.662 0.000 2.128 245 F HA 0.165 4.691 4.527 -0.002 0.000 0.295 245 F C 0.493 176.107 175.800 -0.310 0.000 1.100 245 F CA 0.729 58.384 58.000 -0.574 0.000 1.260 245 F CB -0.020 38.406 39.000 -0.956 0.000 1.009 245 F HN -0.005 nan 8.300 nan 0.000 0.476 246 I N 1.596 122.028 120.570 -0.231 0.000 2.436 246 I HA 0.193 4.361 4.170 -0.002 0.000 0.289 246 I C 1.355 177.366 176.117 -0.177 0.000 1.083 246 I CA 0.870 62.081 61.300 -0.149 0.000 1.372 246 I CB -0.197 37.799 38.000 -0.005 0.000 1.408 246 I HN 0.548 nan 8.210 nan 0.000 0.516 247 G N 5.246 113.986 108.800 -0.100 0.000 2.195 247 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.224 247 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.224 247 G C 0.338 175.160 174.900 -0.130 0.000 0.990 247 G CA -0.005 45.085 45.100 -0.017 0.000 0.639 247 G HN 0.674 nan 8.290 nan 0.000 0.514 248 E N 0.438 120.486 120.200 -0.254 0.000 2.183 248 E HA -0.176 4.173 4.350 -0.002 0.000 0.196 248 E C 0.541 177.020 176.600 -0.203 0.000 1.364 248 E CA 0.488 56.742 56.400 -0.244 0.000 0.700 248 E CB -1.547 28.057 29.700 -0.160 0.000 1.106 248 E HN 0.753 nan 8.360 nan 0.000 0.347 249 S N 0.772 116.334 115.700 -0.231 0.000 2.603 249 S HA 0.223 4.692 4.470 -0.002 0.000 0.268 249 S C 0.528 174.950 174.600 -0.298 0.000 1.317 249 S CA -0.940 57.126 58.200 -0.222 0.000 1.012 249 S CB 0.766 63.855 63.200 -0.186 0.000 0.926 249 S HN 0.239 nan 8.310 nan 0.000 0.539 250 N N 0.719 119.224 118.700 -0.325 0.000 2.529 250 N HA 0.374 5.113 4.740 -0.002 0.000 0.278 250 N C -1.158 173.903 175.510 -0.748 0.000 1.146 250 N CA -0.041 52.658 53.050 -0.586 0.000 0.980 250 N CB 1.163 39.331 38.487 -0.532 0.000 1.124 250 N HN 0.265 nan 8.380 nan 0.000 0.458 251 V N 2.263 121.474 119.914 -1.172 0.000 2.569 251 V HA 0.453 4.572 4.120 -0.002 0.000 0.301 251 V C -1.143 174.246 176.094 -1.175 0.000 1.044 251 V CA -0.791 61.004 62.300 -0.843 0.000 0.874 251 V CB 1.167 32.693 31.823 -0.495 0.000 1.002 251 V HN 0.643 nan 8.190 nan 0.000 0.424 252 W N 1.257 122.444 121.300 -0.189 0.000 2.936 252 W HA 0.659 5.318 4.660 -0.002 0.000 0.338 252 W C 0.028 176.520 176.519 -0.044 0.000 1.121 252 W CA -0.715 56.549 57.345 -0.136 0.000 1.209 252 W CB 1.975 31.342 29.460 -0.155 0.000 1.420 252 W HN 0.330 nan 8.180 nan 0.000 0.516 253 T N 3.873 118.567 114.554 0.234 0.000 2.856 253 T HA 0.541 4.890 4.350 -0.002 0.000 0.292 253 T C -0.161 174.624 174.700 0.141 0.000 0.980 253 T CA -0.573 61.615 62.100 0.146 0.000 1.091 253 T CB 0.468 69.401 68.868 0.108 0.000 0.936 253 T HN 0.090 nan 8.240 nan 0.000 0.503 254 R N 1.101 121.663 120.500 0.104 0.000 2.725 254 R HA 0.685 5.024 4.340 -0.002 0.000 0.277 254 R C -0.967 175.364 176.300 0.052 0.000 0.987 254 R CA -0.854 55.289 56.100 0.072 0.000 0.901 254 R CB 1.957 32.294 30.300 0.060 0.000 1.207 254 R HN 0.697 nan 8.270 nan 0.000 0.463 255 A N 2.197 125.038 122.820 0.036 0.000 2.301 255 A HA 0.473 4.791 4.320 -0.002 0.000 0.298 255 A C -0.023 177.573 177.584 0.021 0.000 1.185 255 A CA -0.566 51.489 52.037 0.029 0.000 0.830 255 A CB 0.707 19.721 19.000 0.024 0.000 1.112 255 A HN 0.378 nan 8.150 nan 0.000 0.508 256 V N 2.924 122.852 119.914 0.023 0.000 2.521 256 V HA 0.230 4.349 4.120 -0.002 0.000 0.286 256 V C 0.375 176.475 176.094 0.011 0.000 1.034 256 V CA 0.374 62.684 62.300 0.017 0.000 1.045 256 V CB 0.481 32.317 31.823 0.022 0.000 0.974 256 V HN 0.947 nan 8.190 nan 0.000 0.480 257 Q N 3.904 123.707 119.800 0.004 0.000 2.285 257 Q HA 0.385 4.724 4.340 -0.002 0.000 0.269 257 Q C 0.027 176.026 176.000 -0.001 0.000 1.030 257 Q CA -0.565 55.238 55.803 0.001 0.000 0.788 257 Q CB 1.027 29.764 28.738 -0.002 0.000 1.266 257 Q HN 0.845 nan 8.270 nan 0.000 0.438 258 N N 2.763 121.464 118.700 0.002 0.000 2.735 258 N HA -0.259 4.480 4.740 -0.002 0.000 0.248 258 N C 0.333 175.845 175.510 0.004 0.000 1.083 258 N CA 0.426 53.477 53.050 0.002 0.000 0.703 258 N CB -0.929 37.557 38.487 -0.002 0.000 1.005 258 N HN 1.053 nan 8.380 nan 0.000 0.550 259 G N -0.879 107.926 108.800 0.008 0.000 2.168 259 G HA2 -0.373 3.585 3.960 -0.002 0.000 0.257 259 G HA3 -0.373 3.585 3.960 -0.002 0.000 0.257 259 G C 0.139 175.046 174.900 0.011 0.000 0.997 259 G CA 1.104 46.211 45.100 0.012 0.000 0.708 259 G HN 0.584 nan 8.290 nan 0.000 0.520 260 R N -0.971 119.530 120.500 0.002 0.000 2.831 260 R HA 0.791 5.130 4.340 -0.002 0.000 0.266 260 R C -0.112 176.175 176.300 -0.021 0.000 1.051 260 R CA -0.628 55.467 56.100 -0.009 0.000 0.943 260 R CB 1.405 31.693 30.300 -0.020 0.000 1.228 260 R HN 0.492 nan 8.270 nan 0.000 0.467 261 I N -2.467 118.074 120.570 -0.048 0.000 2.730 261 I HA 0.530 4.699 4.170 -0.002 0.000 0.298 261 I C -0.747 175.312 176.117 -0.095 0.000 1.089 261 I CA -0.839 60.429 61.300 -0.053 0.000 1.041 261 I CB 2.414 40.393 38.000 -0.036 0.000 1.235 261 I HN 0.502 nan 8.210 nan 0.000 0.423 262 E N 4.011 124.161 120.200 -0.083 0.000 2.134 262 E HA 0.590 4.939 4.350 -0.002 0.000 0.278 262 E C -1.668 174.851 176.600 -0.135 0.000 0.959 262 E CA -0.683 55.647 56.400 -0.116 0.000 0.783 262 E CB 1.849 31.492 29.700 -0.095 0.000 1.095 262 E HN 0.596 nan 8.360 nan 0.000 0.399 263 V N 3.501 123.294 119.914 -0.200 0.000 2.488 263 V HA 0.428 4.547 4.120 -0.002 0.000 0.293 263 V C -0.023 175.857 176.094 -0.356 0.000 1.027 263 V CA -0.237 61.940 62.300 -0.205 0.000 0.862 263 V CB 1.144 32.879 31.823 -0.146 0.000 1.008 263 V HN 0.934 nan 8.190 nan 0.000 0.428 264 A N 3.868 126.397 122.820 -0.486 0.000 2.610 264 A HA 0.094 4.413 4.320 -0.002 0.000 0.299 264 A C 1.822 178.967 177.584 -0.732 0.000 1.487 264 A CA 1.330 52.872 52.037 -0.826 0.000 0.743 264 A CB -1.470 17.007 19.000 -0.873 0.000 1.070 264 A HN 2.691 nan 8.150 nan 0.000 0.439 265 G N -2.362 106.171 108.800 -0.444 0.000 2.220 265 G HA2 0.113 4.072 3.960 -0.002 0.000 0.269 265 G HA3 0.113 4.072 3.960 -0.002 0.000 0.269 265 G C 0.863 175.673 174.900 -0.150 0.000 0.977 265 G CA 1.484 46.457 45.100 -0.212 0.000 0.634 265 G HN 2.624 nan 8.290 nan 0.000 0.539 266 A N -0.088 122.606 122.820 -0.211 0.000 2.306 266 A HA 0.905 5.224 4.320 -0.002 0.000 0.314 266 A C 0.436 177.907 177.584 -0.189 0.000 1.164 266 A CA 0.665 52.598 52.037 -0.174 0.000 0.822 266 A CB 1.297 20.172 19.000 -0.209 0.000 1.130 266 A HN 1.967 nan 8.150 nan 0.000 0.496 267 A N 2.799 125.536 122.820 -0.138 0.000 2.279 267 A HA 0.597 4.916 4.320 -0.002 0.000 0.306 267 A C -0.341 177.152 177.584 -0.152 0.000 1.300 267 A CA -0.289 51.674 52.037 -0.123 0.000 0.925 267 A CB -0.323 18.639 19.000 -0.064 0.000 1.152 267 A HN 0.776 nan 8.150 nan 0.000 0.544 268 L N 5.003 126.098 121.223 -0.212 0.000 2.295 268 L HA 0.430 4.768 4.340 -0.002 0.000 0.285 268 L C -2.112 174.734 176.870 -0.040 0.000 1.035 268 L CA -2.171 52.532 54.840 -0.229 0.000 0.806 268 L CB 1.873 43.578 42.059 -0.590 0.000 1.214 268 L HN 0.479 nan 8.230 nan 0.000 0.426 269 P HA 0.123 nan 4.420 nan 0.000 0.271 269 P C -0.750 176.608 177.300 0.096 0.000 1.216 269 P CA -0.174 62.974 63.100 0.079 0.000 0.776 269 P CB 1.615 33.371 31.700 0.095 0.000 0.881 270 V N 2.677 122.626 119.914 0.058 0.000 2.581 270 V HA 0.164 4.282 4.120 -0.002 0.000 0.303 270 V C 0.424 176.543 176.094 0.041 0.000 1.041 270 V CA -0.640 61.693 62.300 0.056 0.000 0.907 270 V CB 1.559 33.407 31.823 0.040 0.000 0.994 270 V HN 0.524 nan 8.190 nan 0.000 0.442 271 D N 5.539 125.959 120.400 0.033 0.000 2.531 271 D HA 0.063 4.701 4.640 -0.002 0.000 0.239 271 D C -1.523 174.789 176.300 0.019 0.000 1.144 271 D CA -1.118 52.894 54.000 0.020 0.000 0.869 271 D CB 1.526 42.330 40.800 0.006 0.000 1.160 271 D HN 0.220 nan 8.370 nan 0.000 0.484 272 P HA -0.184 nan 4.420 nan 0.000 0.218 272 P C 0.918 178.227 177.300 0.016 0.000 1.146 272 P CA 1.819 64.928 63.100 0.016 0.000 0.820 272 P CB 0.075 31.783 31.700 0.013 0.000 0.778 273 A N -0.996 121.833 122.820 0.015 0.000 2.024 273 A HA -0.090 4.229 4.320 -0.002 0.000 0.220 273 A C 1.114 178.711 177.584 0.021 0.000 1.164 273 A CA 0.998 53.045 52.037 0.016 0.000 0.643 273 A CB -1.120 17.889 19.000 0.015 0.000 0.806 273 A HN 0.081 nan 8.150 nan 0.000 0.451 274 V N 2.161 122.088 119.914 0.023 0.000 2.432 274 V HA 0.263 4.381 4.120 -0.002 0.000 0.271 274 V C 0.701 176.810 176.094 0.025 0.000 1.046 274 V CA -0.069 62.248 62.300 0.028 0.000 0.945 274 V CB 0.766 32.609 31.823 0.033 0.000 0.992 274 V HN 0.540 nan 8.190 nan 0.000 0.471 275 S N 3.308 119.022 115.700 0.025 0.000 2.576 275 S HA 0.299 4.768 4.470 -0.002 0.000 0.276 275 S C -0.072 174.540 174.600 0.021 0.000 1.339 275 S CA -0.676 57.537 58.200 0.021 0.000 1.039 275 S CB 0.883 64.095 63.200 0.020 0.000 0.902 275 S HN 0.777 nan 8.310 nan 0.000 0.516 276 E N 0.888 121.099 120.200 0.018 0.000 2.502 276 E HA 0.352 4.701 4.350 -0.002 0.000 0.261 276 E C 1.478 178.088 176.600 0.017 0.000 0.974 276 E CA 1.469 57.878 56.400 0.016 0.000 0.936 276 E CB -0.400 29.308 29.700 0.013 0.000 0.926 276 E HN 1.120 nan 8.360 nan 0.000 0.459 277 G N 2.944 111.754 108.800 0.017 0.000 2.234 277 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.260 277 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.260 277 G C 0.322 175.236 174.900 0.023 0.000 0.987 277 G CA 0.517 45.627 45.100 0.018 0.000 0.625 277 G HN 1.072 nan 8.290 nan 0.000 0.532 278 S N 0.109 115.824 115.700 0.026 0.000 2.593 278 S HA 0.575 5.044 4.470 -0.002 0.000 0.269 278 S C 0.040 174.663 174.600 0.038 0.000 1.334 278 S CA -0.052 58.167 58.200 0.032 0.000 1.015 278 S CB 1.689 64.909 63.200 0.034 0.000 0.912 278 S HN 0.461 nan 8.310 nan 0.000 0.541 279 E N 0.286 120.512 120.200 0.043 0.000 2.266 279 E HA 0.538 4.887 4.350 -0.002 0.000 0.277 279 E C -0.345 176.294 176.600 0.064 0.000 1.018 279 E CA -0.878 55.553 56.400 0.052 0.000 0.840 279 E CB 1.607 31.338 29.700 0.051 0.000 1.082 279 E HN 0.634 nan 8.360 nan 0.000 0.395 280 V N -1.518 118.442 119.914 0.075 0.000 3.102 280 V HA 0.865 4.984 4.120 -0.002 0.000 0.312 280 V C -0.744 175.418 176.094 0.112 0.000 1.135 280 V CA -1.193 61.166 62.300 0.099 0.000 1.022 280 V CB 1.719 33.600 31.823 0.098 0.000 1.056 280 V HN 0.689 nan 8.190 nan 0.000 0.436 281 A N 1.521 124.427 122.820 0.143 0.000 2.304 281 A HA 0.811 5.130 4.320 -0.002 0.000 0.323 281 A C -0.478 177.215 177.584 0.182 0.000 1.195 281 A CA -0.612 51.502 52.037 0.130 0.000 0.826 281 A CB 1.393 20.450 19.000 0.095 0.000 1.184 281 A HN 1.780 nan 8.150 nan 0.000 0.496 282 V N 4.183 124.192 119.914 0.158 0.000 2.427 282 V HA 0.607 4.726 4.120 -0.002 0.000 0.286 282 V C -0.681 175.504 176.094 0.152 0.000 1.034 282 V CA -0.279 62.139 62.300 0.197 0.000 0.893 282 V CB 1.537 33.462 31.823 0.169 0.000 0.982 282 V HN 0.669 nan 8.190 nan 0.000 0.452 283 V N 6.949 127.010 119.914 0.245 0.000 2.409 283 V HA 0.570 4.689 4.120 -0.002 0.000 0.291 283 V C -0.502 175.738 176.094 0.244 0.000 1.020 283 V CA -0.486 61.922 62.300 0.179 0.000 0.848 283 V CB 1.715 33.706 31.823 0.279 0.000 0.990 283 V HN 0.662 nan 8.190 nan 0.000 0.430 284 V N 5.136 125.114 119.914 0.106 0.000 2.524 284 V HA 0.474 4.593 4.120 -0.002 0.000 0.297 284 V C -0.024 176.099 176.094 0.049 0.000 1.035 284 V CA -0.933 61.462 62.300 0.159 0.000 0.867 284 V CB 1.856 33.870 31.823 0.318 0.000 1.004 284 V HN 0.811 nan 8.190 nan 0.000 0.426 285 R N 5.382 125.902 120.500 0.034 0.000 2.590 285 R HA 0.265 4.604 4.340 -0.002 0.000 0.274 285 R C -1.632 174.615 176.300 -0.089 0.000 1.061 285 R CA -1.716 54.355 56.100 -0.049 0.000 1.081 285 R CB 0.275 30.567 30.300 -0.013 0.000 0.984 285 R HN 0.355 nan 8.270 nan 0.000 0.448 286 P HA -0.253 nan 4.420 nan 0.000 0.217 286 P C 0.285 177.417 177.300 -0.279 0.000 1.151 286 P CA 1.741 64.598 63.100 -0.405 0.000 0.849 286 P CB 0.148 31.177 31.700 -1.118 0.000 0.787 287 K N -1.306 118.956 120.400 -0.230 0.000 2.439 287 K HA -0.048 4.271 4.320 -0.002 0.000 0.197 287 K C 0.569 177.162 176.600 -0.012 0.000 1.041 287 K CA 1.183 57.422 56.287 -0.081 0.000 0.970 287 K CB -0.417 32.053 32.500 -0.050 0.000 0.773 287 K HN 0.035 nan 8.250 nan 0.000 0.479 288 D N 1.416 121.819 120.400 0.004 0.000 2.358 288 D HA 0.080 4.718 4.640 -0.002 0.000 0.224 288 D C -0.686 175.656 176.300 0.071 0.000 1.123 288 D CA 0.105 54.133 54.000 0.046 0.000 0.833 288 D CB 0.694 41.528 40.800 0.056 0.000 0.946 288 D HN -0.024 nan 8.370 nan 0.000 0.505 289 V N 1.092 121.032 119.914 0.043 0.000 2.444 289 V HA 0.245 4.364 4.120 -0.002 0.000 0.294 289 V C 0.126 176.214 176.094 -0.009 0.000 1.022 289 V CA -0.805 61.506 62.300 0.019 0.000 0.850 289 V CB 2.488 34.320 31.823 0.016 0.000 0.992 289 V HN -0.109 nan 8.190 nan 0.000 0.426 290 E N 4.575 124.770 120.200 -0.009 0.000 2.191 290 E HA 0.653 5.002 4.350 -0.002 0.000 0.274 290 E C -1.215 175.366 176.600 -0.031 0.000 0.948 290 E CA -0.662 55.748 56.400 0.017 0.000 0.802 290 E CB 2.364 32.103 29.700 0.065 0.000 1.137 290 E HN 0.489 nan 8.360 nan 0.000 0.397 291 L N 2.249 123.446 121.223 -0.043 0.000 2.334 291 L HA 0.445 4.783 4.340 -0.002 0.000 0.276 291 L C -0.311 176.590 176.870 0.051 0.000 1.014 291 L CA -0.662 54.058 54.840 -0.200 0.000 0.815 291 L CB 1.645 43.259 42.059 -0.742 0.000 1.268 291 L HN 0.487 nan 8.230 nan 0.000 0.428 292 Q N 3.719 123.564 119.800 0.075 0.000 2.331 292 Q HA 0.495 4.834 4.340 -0.002 0.000 0.272 292 Q C -2.666 173.475 176.000 0.235 0.000 1.062 292 Q CA -1.802 54.146 55.803 0.241 0.000 0.806 292 Q CB 3.181 32.023 28.738 0.173 0.000 1.312 292 Q HN 0.242 nan 8.270 nan 0.000 0.431 293 P HA 0.254 nan 4.420 nan 0.000 0.269 293 P C -1.480 175.919 177.300 0.165 0.000 1.215 293 P CA 0.069 63.366 63.100 0.330 0.000 0.780 293 P CB 0.955 32.824 31.700 0.282 0.000 0.898 294 A N 1.237 124.155 122.820 0.163 0.000 2.609 294 A HA 0.647 4.966 4.320 -0.002 0.000 0.291 294 A C -0.417 177.230 177.584 0.105 0.000 1.096 294 A CA -0.451 51.638 52.037 0.087 0.000 0.684 294 A CB 0.776 19.802 19.000 0.044 0.000 1.282 294 A HN 0.505 nan 8.150 nan 0.000 0.412 295 S N -0.497 115.207 115.700 0.008 0.000 2.632 295 S HA 0.351 4.819 4.470 -0.002 0.000 0.271 295 S C 0.856 175.332 174.600 -0.208 0.000 1.260 295 S CA 0.495 58.661 58.200 -0.056 0.000 1.010 295 S CB 1.282 64.430 63.200 -0.086 0.000 0.965 295 S HN 0.932 nan 8.310 nan 0.000 0.534 296 E N 1.537 121.418 120.200 -0.531 0.000 2.070 296 E HA -0.263 4.086 4.350 -0.002 0.000 0.197 296 E C 2.036 178.227 176.600 -0.683 0.000 1.004 296 E CA 1.447 57.126 56.400 -1.201 0.000 0.805 296 E CB -0.155 28.649 29.700 -1.493 0.000 0.744 296 E HN 0.748 nan 8.360 nan 0.000 0.451 297 R N 0.125 120.379 120.500 -0.410 0.000 2.103 297 R HA -0.151 4.188 4.340 -0.002 0.000 0.242 297 R C 2.199 178.388 176.300 -0.185 0.000 1.142 297 R CA 1.791 57.736 56.100 -0.258 0.000 0.960 297 R CB -0.187 30.008 30.300 -0.176 0.000 0.858 297 R HN 0.306 nan 8.270 nan 0.000 0.439 298 E N 0.371 120.476 120.200 -0.158 0.000 2.447 298 E HA 0.128 4.476 4.350 -0.002 0.000 0.195 298 E C 0.516 177.041 176.600 -0.126 0.000 1.028 298 E CA 0.213 56.546 56.400 -0.112 0.000 0.876 298 E CB 0.168 29.810 29.700 -0.097 0.000 0.885 298 E HN 0.249 nan 8.360 nan 0.000 0.500 299 A N 1.014 123.765 122.820 -0.114 0.000 2.406 299 A HA 0.093 4.412 4.320 -0.002 0.000 0.243 299 A C 0.429 178.002 177.584 -0.017 0.000 1.082 299 A CA 0.005 52.012 52.037 -0.050 0.000 0.786 299 A CB 0.044 19.175 19.000 0.218 0.000 1.029 299 A HN 0.239 nan 8.150 nan 0.000 0.495 300 H N 0.009 119.092 119.070 0.021 0.000 2.553 300 H HA 0.459 5.014 4.556 -0.002 0.000 0.276 300 H C 0.673 175.973 175.328 -0.046 0.000 0.979 300 H CA 0.523 56.523 56.048 -0.081 0.000 1.268 300 H CB 0.461 30.077 29.762 -0.243 0.000 1.450 300 H HN 0.836 nan 8.280 nan 0.000 0.527 301 A N 0.351 123.252 122.820 0.135 0.000 2.599 301 A HA 0.417 4.736 4.320 -0.002 0.000 0.290 301 A C -1.673 175.906 177.584 -0.008 0.000 1.101 301 A CA -0.763 51.306 52.037 0.053 0.000 0.674 301 A CB 1.649 20.589 19.000 -0.100 0.000 1.277 301 A HN 0.177 nan 8.150 nan 0.000 0.419 302 Q N 0.615 120.274 119.800 -0.235 0.000 2.340 302 Q HA 0.610 4.949 4.340 -0.002 0.000 0.268 302 Q C -1.384 174.433 176.000 -0.305 0.000 1.031 302 Q CA -0.666 54.792 55.803 -0.576 0.000 0.804 302 Q CB 1.977 30.049 28.738 -1.109 0.000 1.286 302 Q HN 0.671 nan 8.270 nan 0.000 0.448 303 V N 4.420 124.184 119.914 -0.249 0.000 2.655 303 V HA -0.000 4.119 4.120 -0.002 0.000 0.300 303 V C 0.817 176.880 176.094 -0.052 0.000 1.044 303 V CA 0.228 62.472 62.300 -0.093 0.000 1.095 303 V CB 1.186 33.004 31.823 -0.008 0.000 0.952 303 V HN 0.828 nan 8.190 nan 0.000 0.485 304 V N 4.871 124.811 119.914 0.044 0.000 2.690 304 V HA 0.234 4.352 4.120 -0.002 0.000 0.240 304 V C 0.591 176.748 176.094 0.105 0.000 1.078 304 V CA 1.158 63.493 62.300 0.058 0.000 1.102 304 V CB 0.012 31.885 31.823 0.084 0.000 0.800 304 V HN 1.067 nan 8.190 nan 0.000 0.479 305 R N -1.507 119.116 120.500 0.205 0.000 2.741 305 R HA 0.631 4.970 4.340 -0.002 0.000 0.276 305 R C -1.496 175.046 176.300 0.403 0.000 1.028 305 R CA -0.469 55.775 56.100 0.240 0.000 0.865 305 R CB 1.391 31.789 30.300 0.164 0.000 1.268 305 R HN -0.009 nan 8.270 nan 0.000 0.475 306 S N -0.693 115.221 115.700 0.357 0.000 2.704 306 S HA 0.973 5.442 4.470 -0.002 0.000 0.296 306 S C -1.482 173.350 174.600 0.386 0.000 1.138 306 S CA -0.399 58.028 58.200 0.379 0.000 0.875 306 S CB 2.049 65.407 63.200 0.262 0.000 1.151 306 S HN 0.890 nan 8.310 nan 0.000 0.500 307 A N 1.053 124.080 122.820 0.344 0.000 2.512 307 A HA 0.607 4.926 4.320 -0.002 0.000 0.294 307 A C -1.314 176.378 177.584 0.181 0.000 1.054 307 A CA -0.612 51.593 52.037 0.280 0.000 0.756 307 A CB 0.440 19.657 19.000 0.363 0.000 1.293 307 A HN 0.713 nan 8.150 nan 0.000 0.395 308 F N 2.806 122.752 119.950 -0.007 0.000 2.484 308 F HA 0.417 4.943 4.527 -0.002 0.000 0.360 308 F C 0.993 176.687 175.800 -0.178 0.000 1.101 308 F CA 0.391 58.328 58.000 -0.105 0.000 1.251 308 F CB 0.912 39.851 39.000 -0.101 0.000 1.132 308 F HN 0.494 nan 8.300 nan 0.000 0.570 309 K N 4.381 124.135 120.400 -1.077 0.000 2.469 309 K HA 0.297 4.616 4.320 -0.002 0.000 0.204 309 K C 0.951 176.878 176.600 -1.122 0.000 1.047 309 K CA 0.532 56.225 56.287 -0.991 0.000 1.072 309 K CB 0.676 32.454 32.500 -1.202 0.000 0.863 309 K HN 1.053 nan 8.250 nan 0.000 0.530 310 G N 1.481 109.291 108.800 -1.650 0.000 5.005 310 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.251 310 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.251 310 G C 0.957 175.426 174.900 -0.717 0.000 1.536 310 G CA 0.434 44.977 45.100 -0.929 0.000 1.060 310 G HN 0.237 nan 8.290 nan 0.000 0.683 311 S N 0.740 116.103 115.700 -0.562 0.000 2.561 311 S HA 0.498 4.967 4.470 -0.002 0.000 0.225 311 S C 0.507 175.041 174.600 -0.110 0.000 0.977 311 S CA 1.580 59.646 58.200 -0.223 0.000 0.926 311 S CB -0.348 62.827 63.200 -0.042 0.000 0.769 311 S HN 2.023 nan 8.310 nan 0.000 0.533 312 Y N -1.864 118.227 120.300 -0.348 0.000 2.852 312 Y HA 0.704 5.253 4.550 -0.002 0.000 0.350 312 Y C -1.009 174.715 175.900 -0.294 0.000 1.272 312 Y CA -1.355 56.619 58.100 -0.211 0.000 1.086 312 Y CB 0.671 39.026 38.460 -0.176 0.000 1.408 312 Y HN -0.095 nan 8.280 nan 0.000 0.447 313 S N 1.054 116.849 115.700 0.158 0.000 2.473 313 S HA 0.873 5.342 4.470 -0.002 0.000 0.307 313 S C -0.763 173.954 174.600 0.195 0.000 1.094 313 S CA 0.018 58.294 58.200 0.128 0.000 1.070 313 S CB 0.776 64.121 63.200 0.241 0.000 1.019 313 S HN 1.300 nan 8.310 nan 0.000 0.480 314 A N 2.918 125.778 122.820 0.067 0.000 2.310 314 A HA 0.690 5.009 4.320 -0.002 0.000 0.299 314 A C -0.171 177.308 177.584 -0.174 0.000 1.147 314 A CA -0.572 51.415 52.037 -0.083 0.000 0.818 314 A CB 0.317 19.137 19.000 -0.301 0.000 1.096 314 A HN 1.009 nan 8.150 nan 0.000 0.495 315 C N 4.287 123.401 119.300 -0.310 0.000 2.481 315 C HA 0.710 5.169 4.460 -0.002 0.000 0.324 315 C C -1.373 173.465 174.990 -0.252 0.000 1.170 315 C CA -0.766 58.174 59.018 -0.130 0.000 1.361 315 C CB 0.099 27.829 27.740 -0.016 0.000 1.977 315 C HN 0.782 nan 8.230 nan 0.000 0.459 316 W N 7.171 128.529 121.300 0.095 0.000 2.429 316 W HA 0.609 5.267 4.660 -0.002 0.000 0.314 316 W C -0.080 176.467 176.519 0.046 0.000 1.062 316 W CA -0.589 56.812 57.345 0.093 0.000 1.211 316 W CB 1.485 31.001 29.460 0.093 0.000 1.305 316 W HN 0.730 nan 8.180 nan 0.000 0.476 317 I N 0.953 121.652 120.570 0.215 0.000 2.689 317 I HA 0.672 4.841 4.170 -0.002 0.000 0.299 317 I C -0.706 175.476 176.117 0.109 0.000 1.059 317 I CA -1.326 60.022 61.300 0.080 0.000 1.055 317 I CB 2.369 40.338 38.000 -0.052 0.000 1.243 317 I HN 0.221 nan 8.210 nan 0.000 0.425 318 R N 3.944 124.464 120.500 0.033 0.000 2.265 318 R HA 0.423 4.762 4.340 -0.002 0.000 0.328 318 R C -0.200 176.101 176.300 0.002 0.000 0.969 318 R CA -0.105 56.020 56.100 0.042 0.000 0.832 318 R CB 0.929 31.242 30.300 0.023 0.000 1.139 318 R HN 0.923 nan 8.270 nan 0.000 0.457 319 T N 1.218 115.768 114.554 -0.006 0.000 2.860 319 T HA 0.141 4.490 4.350 -0.002 0.000 0.299 319 T C 0.880 175.590 174.700 0.018 0.000 1.045 319 T CA -0.631 61.443 62.100 -0.044 0.000 1.071 319 T CB 0.859 69.643 68.868 -0.141 0.000 0.985 319 T HN 0.558 nan 8.240 nan 0.000 0.537 320 K N 0.858 121.289 120.400 0.052 0.000 2.152 320 K HA -0.127 4.192 4.320 -0.002 0.000 0.206 320 K C 1.319 177.940 176.600 0.034 0.000 1.048 320 K CA 1.474 57.810 56.287 0.081 0.000 0.933 320 K CB -0.338 32.206 32.500 0.074 0.000 0.721 320 K HN 0.647 nan 8.250 nan 0.000 0.447 321 D N -0.807 119.590 120.400 -0.006 0.000 2.355 321 D HA 0.010 4.649 4.640 -0.002 0.000 0.218 321 D C 1.176 177.469 176.300 -0.011 0.000 1.004 321 D CA 0.942 54.932 54.000 -0.016 0.000 0.880 321 D CB 0.503 41.276 40.800 -0.046 0.000 0.911 321 D HN 0.451 nan 8.370 nan 0.000 0.528 322 G N 0.720 109.517 108.800 -0.005 0.000 2.192 322 G HA2 -0.213 3.745 3.960 -0.002 0.000 0.193 322 G HA3 -0.213 3.745 3.960 -0.002 0.000 0.193 322 G C 0.044 174.945 174.900 0.002 0.000 0.999 322 G CA -0.477 44.629 45.100 0.010 0.000 0.659 322 G HN 0.332 nan 8.290 nan 0.000 0.503 323 E N 0.079 120.236 120.200 -0.070 0.000 2.301 323 E HA 0.505 4.854 4.350 -0.002 0.000 0.275 323 E C -0.268 176.378 176.600 0.075 0.000 1.030 323 E CA -0.580 55.717 56.400 -0.172 0.000 0.852 323 E CB 2.339 31.593 29.700 -0.744 0.000 1.060 323 E HN 0.072 nan 8.360 nan 0.000 0.401 324 V N 3.633 123.692 119.914 0.242 0.000 2.328 324 V HA 0.182 4.301 4.120 -0.002 0.000 0.278 324 V C -0.863 175.563 176.094 0.553 0.000 1.021 324 V CA -0.663 61.854 62.300 0.361 0.000 0.838 324 V CB -0.063 31.949 31.823 0.315 0.000 0.999 324 V HN 0.581 nan 8.190 nan 0.000 0.447 325 W N 2.455 123.885 121.300 0.216 0.000 2.516 325 W HA 0.558 5.217 4.660 -0.002 0.000 0.343 325 W C 0.389 176.973 176.519 0.107 0.000 1.094 325 W CA -0.744 56.754 57.345 0.255 0.000 1.250 325 W CB 0.956 30.477 29.460 0.102 0.000 1.308 325 W HN 0.488 nan 8.180 nan 0.000 0.588 326 E N 1.567 121.893 120.200 0.210 0.000 2.151 326 E HA 0.551 4.900 4.350 -0.002 0.000 0.275 326 E C -1.553 174.945 176.600 -0.170 0.000 0.936 326 E CA -0.418 55.857 56.400 -0.209 0.000 0.777 326 E CB 1.324 30.848 29.700 -0.294 0.000 1.108 326 E HN 0.249 nan 8.360 nan 0.000 0.401 327 V N 4.458 124.232 119.914 -0.234 0.000 2.604 327 V HA 0.295 4.414 4.120 -0.002 0.000 0.305 327 V C -0.843 175.207 176.094 -0.074 0.000 1.043 327 V CA -0.729 61.479 62.300 -0.154 0.000 0.888 327 V CB 1.826 33.581 31.823 -0.114 0.000 0.995 327 V HN 0.747 nan 8.190 nan 0.000 0.429 328 H N 2.452 121.432 119.070 -0.151 0.000 2.541 328 H HA 0.620 5.175 4.556 -0.002 0.000 0.316 328 H C -0.215 175.098 175.328 -0.026 0.000 1.043 328 H CA -0.780 55.180 56.048 -0.148 0.000 1.232 328 H CB 1.954 31.443 29.762 -0.454 0.000 1.406 328 H HN 0.621 nan 8.280 nan 0.000 0.469 329 V N 1.648 121.688 119.914 0.211 0.000 2.966 329 V HA 0.526 4.645 4.120 -0.002 0.000 0.317 329 V C -2.639 173.587 176.094 0.220 0.000 1.070 329 V CA -2.960 59.472 62.300 0.220 0.000 1.008 329 V CB 1.609 33.628 31.823 0.327 0.000 1.070 329 V HN 0.515 nan 8.190 nan 0.000 0.457 330 P HA 0.166 nan 4.420 nan 0.000 0.267 330 P C 0.845 178.250 177.300 0.174 0.000 1.200 330 P CA 0.364 63.560 63.100 0.160 0.000 0.772 330 P CB 0.619 32.393 31.700 0.123 0.000 0.855 331 S N 2.191 118.001 115.700 0.182 0.000 2.400 331 S HA -0.208 4.261 4.470 -0.002 0.000 0.232 331 S C 1.875 176.559 174.600 0.140 0.000 1.025 331 S CA 1.628 59.979 58.200 0.251 0.000 0.993 331 S CB -0.763 62.601 63.200 0.273 0.000 0.808 331 S HN 0.619 nan 8.310 nan 0.000 0.478 332 A N 0.984 123.858 122.820 0.090 0.000 2.121 332 A HA -0.075 4.244 4.320 -0.002 0.000 0.218 332 A C 1.231 178.824 177.584 0.016 0.000 1.154 332 A CA 1.168 53.230 52.037 0.042 0.000 0.679 332 A CB -0.168 18.856 19.000 0.040 0.000 0.795 332 A HN 0.301 nan 8.150 nan 0.000 0.458 333 D N -0.606 119.813 120.400 0.031 0.000 2.388 333 D HA 0.036 4.674 4.640 -0.002 0.000 0.221 333 D C 1.755 178.028 176.300 -0.045 0.000 1.133 333 D CA 0.130 54.118 54.000 -0.020 0.000 0.831 333 D CB -0.075 40.750 40.800 0.041 0.000 0.962 333 D HN 0.715 nan 8.370 nan 0.000 0.502 334 R N 0.138 120.580 120.500 -0.097 0.000 2.249 334 R HA -0.123 4.215 4.340 -0.002 0.000 0.230 334 R C 0.716 176.797 176.300 -0.365 0.000 1.121 334 R CA 1.167 57.145 56.100 -0.202 0.000 0.997 334 R CB -0.433 29.634 30.300 -0.388 0.000 0.867 334 R HN 0.259 nan 8.270 nan 0.000 0.465 335 H N -0.371 118.669 119.070 -0.050 0.000 2.652 335 H HA 0.201 4.756 4.556 -0.002 0.000 0.274 335 H C 1.400 176.646 175.328 -0.138 0.000 1.021 335 H CA -0.120 55.886 56.048 -0.070 0.000 1.187 335 H CB 0.327 30.038 29.762 -0.085 0.000 1.505 335 H HN 0.251 nan 8.280 nan 0.000 0.530 336 R N 0.368 120.751 120.500 -0.196 0.000 2.081 336 R HA -0.102 4.237 4.340 -0.002 0.000 0.235 336 R C -0.242 175.694 176.300 -0.606 0.000 1.131 336 R CA 0.997 56.772 56.100 -0.542 0.000 0.960 336 R CB 0.232 29.957 30.300 -0.958 0.000 0.856 336 R HN 0.106 nan 8.270 nan 0.000 0.436 337 W N 0.501 121.836 121.300 0.057 0.000 2.329 337 W HA 0.362 5.020 4.660 -0.002 0.000 0.312 337 W C -0.156 176.392 176.519 0.048 0.000 1.054 337 W CA -0.892 56.481 57.345 0.046 0.000 1.245 337 W CB 1.371 30.856 29.460 0.042 0.000 1.255 337 W HN -0.105 nan 8.180 nan 0.000 0.436 338 S N 3.555 119.397 115.700 0.237 0.000 2.654 338 S HA 0.588 5.057 4.470 -0.002 0.000 0.283 338 S C -2.393 172.281 174.600 0.123 0.000 1.180 338 S CA -1.751 56.538 58.200 0.149 0.000 1.021 338 S CB 0.855 64.111 63.200 0.094 0.000 1.018 338 S HN 0.113 nan 8.310 nan 0.000 0.532 339 P HA 0.268 nan 4.420 nan 0.000 0.264 339 P C 0.698 177.992 177.300 -0.009 0.000 1.193 339 P CA 1.067 64.193 63.100 0.042 0.000 0.763 339 P CB 0.452 32.179 31.700 0.044 0.000 0.810 340 G N 1.977 110.720 108.800 -0.095 0.000 2.213 340 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.236 340 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.236 340 G C 0.411 175.140 174.900 -0.285 0.000 0.991 340 G CA -0.057 44.931 45.100 -0.188 0.000 0.629 340 G HN 0.832 nan 8.290 nan 0.000 0.517 341 A N -0.078 122.662 122.820 -0.133 0.000 2.440 341 A HA 0.524 4.843 4.320 -0.002 0.000 0.251 341 A C 0.086 177.551 177.584 -0.198 0.000 1.089 341 A CA 0.175 52.192 52.037 -0.032 0.000 0.779 341 A CB 0.094 19.217 19.000 0.204 0.000 1.022 341 A HN 0.609 nan 8.150 nan 0.000 0.492 342 W N 1.819 123.164 121.300 0.075 0.000 2.315 342 W HA 0.473 5.132 4.660 -0.002 0.000 0.316 342 W C 0.182 176.705 176.519 0.006 0.000 1.211 342 W CA -0.185 57.173 57.345 0.022 0.000 1.201 342 W CB 1.429 30.896 29.460 0.011 0.000 1.184 342 W HN 0.704 nan 8.180 nan 0.000 0.544 343 V N 0.099 120.093 119.914 0.133 0.000 3.130 343 V HA 0.573 4.691 4.120 -0.002 0.000 0.310 343 V C -1.307 174.763 176.094 -0.039 0.000 1.158 343 V CA -1.298 60.993 62.300 -0.015 0.000 1.029 343 V CB 1.794 33.445 31.823 -0.287 0.000 1.057 343 V HN 0.603 nan 8.190 nan 0.000 0.436 344 H N 2.319 121.284 119.070 -0.175 0.000 2.457 344 H HA 0.800 5.355 4.556 -0.002 0.000 0.335 344 H C -0.625 174.654 175.328 -0.082 0.000 1.115 344 H CA -0.731 55.157 56.048 -0.267 0.000 1.219 344 H CB 1.680 31.301 29.762 -0.235 0.000 1.471 344 H HN 0.839 nan 8.280 nan 0.000 0.491 345 M N 3.962 123.402 119.600 -0.267 0.000 2.404 345 M HA 0.242 4.721 4.480 -0.002 0.000 0.338 345 M C -0.717 175.340 176.300 -0.405 0.000 1.150 345 M CA -0.741 54.368 55.300 -0.319 0.000 1.016 345 M CB 1.610 33.950 32.600 -0.433 0.000 1.672 345 M HN 0.626 nan 8.290 nan 0.000 0.448 346 N N 1.760 120.337 118.700 -0.205 0.000 2.491 346 N HA 0.424 5.163 4.740 -0.002 0.000 0.274 346 N C -1.921 173.555 175.510 -0.056 0.000 1.023 346 N CA -0.422 52.572 53.050 -0.093 0.000 0.902 346 N CB 1.512 40.035 38.487 0.059 0.000 1.267 346 N HN 0.442 nan 8.380 nan 0.000 0.503 347 V N 3.288 123.166 119.914 -0.060 0.000 2.385 347 V HA 0.190 4.309 4.120 -0.002 0.000 0.269 347 V C 1.509 177.726 176.094 0.205 0.000 1.043 347 V CA -0.040 62.294 62.300 0.057 0.000 0.906 347 V CB 0.742 32.579 31.823 0.023 0.000 0.995 347 V HN 0.920 nan 8.190 nan 0.000 0.467 348 T N 2.407 117.084 114.554 0.205 0.000 3.051 348 T HA 0.197 4.546 4.350 -0.002 0.000 0.255 348 T C 0.691 175.485 174.700 0.156 0.000 1.085 348 T CA 0.043 62.261 62.100 0.196 0.000 1.109 348 T CB 0.275 69.197 68.868 0.090 0.000 0.921 348 T HN 0.501 nan 8.240 nan 0.000 0.488 349 R N -0.404 120.199 120.500 0.172 0.000 2.594 349 R HA 0.537 4.876 4.340 -0.002 0.000 0.265 349 R C -2.283 174.012 176.300 -0.009 0.000 1.070 349 R CA -0.958 55.040 56.100 -0.169 0.000 0.909 349 R CB 1.485 31.650 30.300 -0.225 0.000 1.243 349 R HN 0.513 nan 8.270 nan 0.000 0.455 350 W N 2.551 123.652 121.300 -0.331 0.000 3.005 350 W HA 0.682 5.341 4.660 -0.002 0.000 0.343 350 W C -2.188 174.017 176.519 -0.522 0.000 1.243 350 W CA -1.072 56.093 57.345 -0.300 0.000 1.186 350 W CB 0.642 30.060 29.460 -0.071 0.000 1.453 350 W HN 0.257 nan 8.180 nan 0.000 0.575 351 F N 1.690 121.780 119.950 0.234 0.000 2.563 351 F HA 0.750 5.276 4.527 -0.002 0.000 0.316 351 F C -0.103 175.819 175.800 0.203 0.000 1.076 351 F CA -1.277 56.785 58.000 0.103 0.000 0.921 351 F CB 1.985 41.073 39.000 0.146 0.000 1.209 351 F HN 0.087 nan 8.300 nan 0.000 0.462 352 I N 2.516 123.201 120.570 0.192 0.000 2.466 352 I HA 0.438 4.607 4.170 -0.002 0.000 0.289 352 I C -1.398 174.661 176.117 -0.096 0.000 1.026 352 I CA -0.486 60.909 61.300 0.158 0.000 1.078 352 I CB 1.801 39.897 38.000 0.160 0.000 1.249 352 I HN 0.394 nan 8.210 nan 0.000 0.429 353 F N 6.445 126.460 119.950 0.110 0.000 2.576 353 F HA 0.540 5.066 4.527 -0.002 0.000 0.313 353 F C -2.263 173.570 175.800 0.055 0.000 1.078 353 F CA -2.197 55.844 58.000 0.068 0.000 0.921 353 F CB 1.991 41.013 39.000 0.037 0.000 1.232 353 F HN 0.180 nan 8.300 nan 0.000 0.459 354 P HA 0.186 nan 4.420 nan 0.000 0.275 354 P C -0.283 177.099 177.300 0.137 0.000 1.228 354 P CA -0.416 62.772 63.100 0.147 0.000 0.786 354 P CB 1.006 32.772 31.700 0.109 0.000 0.927 355 R N 0.000 120.559 120.500 0.098 0.000 2.786 355 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 355 R CA 0.000 56.143 56.100 0.072 0.000 0.921 355 R CB 0.000 30.336 30.300 0.060 0.000 0.687 355 R HN 0.000 nan 8.270 nan 0.000 0.535