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 1s5v_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFTGSIVAIV TPMDEKGNVC RASLKKLIDY HVASGTSAIV SVGTTGESAT DATA SEQUENCE LNHDEHADVV MMTLDLADGR IPVIAGTGAN ATAEAISLTQ RFNDSGIVGC DATA SEQUENCE LTVTPYFNRP SQEGLYQHFK AIAEHTDLPQ ILYNVPSRTG CDLLPETVGR DATA SEQUENCE LAKVKNIIGI KEATGNLTRV NQIKELVSDD FVLLSGDDAS ALDFMQLGGH DATA SEQUENCE GVISVTANVA ARDMAQMCKL AAEGHFAEAR VINQRLMPLH NKLFVEPNPI DATA SEQUENCE PVKWACKELG LVATDTLRLP MTPITDSGRE TVRAALKHAG LL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.835 176.300 -0.775 0.000 1.140 1 M CA 0.000 54.951 55.300 -0.582 0.000 0.988 1 M CB 0.000 nan 32.600 nan 0.000 1.302 2 F N 1.601 121.517 119.950 -0.057 0.000 2.564 2 F HA 0.715 5.242 4.527 -0.000 0.000 0.329 2 F C 0.306 176.081 175.800 -0.041 0.000 1.458 2 F CA -0.781 57.179 58.000 -0.066 0.000 1.117 2 F CB 1.151 40.091 39.000 -0.099 0.000 1.383 2 F HN 0.835 nan 8.300 nan 0.000 0.571 3 T N -0.893 113.710 114.554 0.083 0.000 2.830 3 T HA 0.639 4.989 4.350 -0.000 0.000 0.322 3 T C 0.034 174.763 174.700 0.048 0.000 1.501 3 T CA -0.330 61.821 62.100 0.086 0.000 1.036 3 T CB 1.816 70.723 68.868 0.064 0.000 1.379 3 T HN 0.745 nan 8.240 nan 0.000 0.493 4 G N 1.663 110.500 108.800 0.063 0.000 2.645 4 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.246 4 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.246 4 G C 0.080 174.993 174.900 0.021 0.000 1.322 4 G CA -0.004 45.117 45.100 0.035 0.000 0.898 4 G HN 1.425 nan 8.290 nan 0.000 0.573 5 S N -0.136 115.565 115.700 0.002 0.000 2.422 5 S HA 0.548 5.018 4.470 -0.000 0.000 0.283 5 S C 0.479 175.053 174.600 -0.043 0.000 1.163 5 S CA -0.519 57.675 58.200 -0.011 0.000 1.054 5 S CB -0.538 62.656 63.200 -0.010 0.000 0.967 5 S HN 0.632 nan 8.310 nan 0.000 0.499 6 I N 5.278 125.820 120.570 -0.048 0.000 2.354 6 I HA 0.341 4.511 4.170 -0.000 0.000 0.292 6 I C -0.002 176.050 176.117 -0.107 0.000 0.989 6 I CA -0.863 60.391 61.300 -0.076 0.000 1.188 6 I CB 1.762 39.733 38.000 -0.047 0.000 1.342 6 I HN 0.309 nan 8.210 nan 0.000 0.457 7 V N 6.795 126.603 119.914 -0.177 0.000 2.432 7 V HA 0.489 4.609 4.120 -0.000 0.000 0.275 7 V C 0.564 176.564 176.094 -0.157 0.000 1.043 7 V CA -0.369 61.805 62.300 -0.209 0.000 0.925 7 V CB 1.406 32.949 31.823 -0.467 0.000 0.985 7 V HN 0.839 nan 8.190 nan 0.000 0.466 8 A N 7.888 130.645 122.820 -0.105 0.000 2.671 8 A HA 0.422 4.742 4.320 -0.000 0.000 0.306 8 A C 0.006 177.551 177.584 -0.065 0.000 1.473 8 A CA -0.182 51.804 52.037 -0.086 0.000 1.155 8 A CB -0.380 18.577 19.000 -0.072 0.000 1.123 8 A HN 0.907 nan 8.150 nan 0.000 0.545 9 I N 3.687 124.217 120.570 -0.068 0.000 2.575 9 I HA 0.201 4.371 4.170 -0.000 0.000 0.285 9 I C 0.710 176.819 176.117 -0.013 0.000 1.085 9 I CA -0.330 60.955 61.300 -0.024 0.000 1.403 9 I CB 1.225 39.222 38.000 -0.006 0.000 1.409 9 I HN 0.583 nan 8.210 nan 0.000 0.557 10 V N 3.646 123.564 119.914 0.007 0.000 2.999 10 V HA 0.133 4.253 4.120 -0.000 0.000 0.307 10 V C 0.289 176.378 176.094 -0.008 0.000 1.084 10 V CA -0.269 62.027 62.300 -0.007 0.000 1.155 10 V CB 0.629 32.447 31.823 -0.007 0.000 0.975 10 V HN 0.775 nan 8.190 nan 0.000 0.490 11 T N 6.297 120.840 114.554 -0.019 0.000 2.891 11 T HA 0.369 4.719 4.350 -0.000 0.000 0.315 11 T C -2.338 172.355 174.700 -0.012 0.000 1.054 11 T CA -0.657 61.433 62.100 -0.017 0.000 0.958 11 T CB 0.506 69.358 68.868 -0.027 0.000 1.008 11 T HN 0.817 nan 8.240 nan 0.000 0.521 12 P HA 0.278 nan 4.420 nan 0.000 0.271 12 P C -0.676 176.617 177.300 -0.012 0.000 1.216 12 P CA -0.291 62.799 63.100 -0.016 0.000 0.771 12 P CB 0.718 32.405 31.700 -0.021 0.000 0.864 13 M N 1.855 121.448 119.600 -0.012 0.000 2.591 13 M HA 0.272 4.752 4.480 -0.000 0.000 0.306 13 M C 0.465 176.759 176.300 -0.009 0.000 1.190 13 M CA -0.833 54.463 55.300 -0.007 0.000 0.889 13 M CB 1.879 34.477 32.600 -0.003 0.000 1.728 13 M HN 0.335 nan 8.290 nan 0.000 0.458 14 D N 0.557 120.953 120.400 -0.006 0.000 2.414 14 D HA 0.052 4.692 4.640 -0.000 0.000 0.259 14 D C 0.315 176.614 176.300 -0.003 0.000 1.269 14 D CA -0.112 53.885 54.000 -0.006 0.000 1.028 14 D CB 0.445 41.242 40.800 -0.004 0.000 1.093 14 D HN 0.651 nan 8.370 nan 0.000 0.545 15 E N -1.254 118.945 120.200 -0.002 0.000 2.347 15 E HA -0.079 4.271 4.350 -0.000 0.000 0.196 15 E C 1.442 178.044 176.600 0.002 0.000 1.008 15 E CA 0.681 57.081 56.400 0.001 0.000 0.852 15 E CB 0.020 29.721 29.700 0.001 0.000 0.783 15 E HN 0.365 nan 8.360 nan 0.000 0.505 16 K N -0.721 119.680 120.400 0.002 0.000 2.459 16 K HA 0.070 4.390 4.320 -0.000 0.000 0.193 16 K C 0.900 177.502 176.600 0.003 0.000 1.030 16 K CA 0.497 56.786 56.287 0.003 0.000 1.026 16 K CB 0.599 33.101 32.500 0.003 0.000 0.809 16 K HN 0.208 nan 8.250 nan 0.000 0.504 17 G N 1.656 110.458 108.800 0.003 0.000 2.132 17 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.234 17 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.234 17 G C -0.565 174.337 174.900 0.005 0.000 0.989 17 G CA -0.092 45.010 45.100 0.003 0.000 0.676 17 G HN 0.400 nan 8.290 nan 0.000 0.522 18 N N -1.191 117.513 118.700 0.005 0.000 2.443 18 N HA 0.558 5.298 4.740 -0.000 0.000 0.293 18 N C 0.124 175.638 175.510 0.007 0.000 1.159 18 N CA -0.565 52.490 53.050 0.009 0.000 0.904 18 N CB 2.525 41.019 38.487 0.010 0.000 1.214 18 N HN 0.186 nan 8.380 nan 0.000 0.513 19 V N 1.102 121.023 119.914 0.011 0.000 2.617 19 V HA -0.039 4.081 4.120 -0.000 0.000 0.304 19 V C -0.240 175.857 176.094 0.006 0.000 1.040 19 V CA -0.045 62.260 62.300 0.009 0.000 1.149 19 V CB 0.012 31.845 31.823 0.016 0.000 0.914 19 V HN 0.837 nan 8.190 nan 0.000 0.487 20 C N 8.451 127.751 119.300 0.000 0.000 2.223 20 C HA 0.424 4.884 4.460 -0.000 0.000 0.324 20 C C 1.656 176.644 174.990 -0.003 0.000 1.196 20 C CA -0.819 58.196 59.018 -0.004 0.000 1.628 20 C CB -0.035 27.698 27.740 -0.011 0.000 2.229 20 C HN 1.082 nan 8.230 nan 0.000 0.486 21 R N 3.565 124.066 120.500 0.001 0.000 2.105 21 R HA -0.115 4.225 4.340 -0.000 0.000 0.239 21 R C 1.985 178.284 176.300 -0.002 0.000 1.135 21 R CA 2.050 58.152 56.100 0.003 0.000 0.967 21 R CB -0.361 29.942 30.300 0.006 0.000 0.861 21 R HN 0.883 nan 8.270 nan 0.000 0.442 22 A N -0.282 122.533 122.820 -0.008 0.000 1.897 22 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 22 A C 2.301 179.872 177.584 -0.022 0.000 1.181 22 A CA 1.565 53.594 52.037 -0.014 0.000 0.620 22 A CB -0.339 18.650 19.000 -0.018 0.000 0.821 22 A HN 0.362 nan 8.150 nan 0.000 0.443 23 S N -0.359 115.326 115.700 -0.026 0.000 2.368 23 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 23 S C 1.859 176.443 174.600 -0.027 0.000 1.029 23 S CA 1.353 59.531 58.200 -0.037 0.000 0.988 23 S CB -0.411 62.764 63.200 -0.041 0.000 0.838 23 S HN 0.472 nan 8.310 nan 0.000 0.462 24 L N 2.436 123.652 121.223 -0.010 0.000 2.017 24 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 24 L C 2.221 179.098 176.870 0.013 0.000 1.073 24 L CA 1.897 56.740 54.840 0.007 0.000 0.745 24 L CB -0.631 41.435 42.059 0.012 0.000 0.894 24 L HN 0.169 nan 8.230 nan 0.000 0.432 25 K N -0.333 120.071 120.400 0.005 0.000 2.063 25 K HA -0.292 4.028 4.320 -0.000 0.000 0.208 25 K C 2.338 178.938 176.600 0.000 0.000 1.048 25 K CA 2.025 58.316 56.287 0.006 0.000 0.928 25 K CB -0.196 32.305 32.500 0.001 0.000 0.713 25 K HN 0.337 nan 8.250 nan 0.000 0.442 26 K N 0.615 121.005 120.400 -0.017 0.000 2.097 26 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 26 K C 2.183 178.761 176.600 -0.037 0.000 1.049 26 K CA 1.180 57.447 56.287 -0.034 0.000 0.933 26 K CB -0.032 32.430 32.500 -0.063 0.000 0.717 26 K HN 0.162 nan 8.250 nan 0.000 0.442 27 L N 0.489 121.691 121.223 -0.035 0.000 2.056 27 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 27 L C 2.308 179.190 176.870 0.019 0.000 1.078 27 L CA 1.092 55.914 54.840 -0.031 0.000 0.749 27 L CB -0.318 41.767 42.059 0.043 0.000 0.901 27 L HN 0.199 nan 8.230 nan 0.000 0.433 28 I N -0.357 120.256 120.570 0.072 0.000 2.252 28 I HA -0.259 3.910 4.170 -0.000 0.000 0.245 28 I C 2.081 178.230 176.117 0.053 0.000 1.102 28 I CA 1.013 62.375 61.300 0.103 0.000 1.385 28 I CB -0.365 37.678 38.000 0.073 0.000 1.064 28 I HN 0.229 nan 8.210 nan 0.000 0.414 29 D N 0.222 120.637 120.400 0.026 0.000 2.123 29 D HA -0.260 4.380 4.640 -0.000 0.000 0.196 29 D C 1.912 178.218 176.300 0.010 0.000 0.992 29 D CA 1.451 55.459 54.000 0.015 0.000 0.833 29 D CB -0.413 40.394 40.800 0.011 0.000 0.954 29 D HN 0.401 nan 8.370 nan 0.000 0.455 30 Y N 1.285 121.487 120.300 -0.164 0.000 2.181 30 Y HA -0.244 4.306 4.550 -0.000 0.000 0.288 30 Y C 2.295 178.057 175.900 -0.230 0.000 1.146 30 Y CA 1.754 59.714 58.100 -0.233 0.000 1.164 30 Y CB -0.321 37.936 38.460 -0.338 0.000 0.982 30 Y HN 0.119 nan 8.280 nan 0.000 0.515 31 H N -1.206 117.776 119.070 -0.146 0.000 2.428 31 H HA -0.058 4.498 4.556 -0.000 0.000 0.296 31 H C 2.567 177.798 175.328 -0.162 0.000 1.062 31 H CA 1.410 57.319 56.048 -0.232 0.000 1.350 31 H CB -0.585 29.123 29.762 -0.091 0.000 1.403 31 H HN 0.346 nan 8.280 nan 0.000 0.533 32 V N 1.269 121.180 119.914 -0.005 0.000 2.261 32 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 32 V C 2.722 178.781 176.094 -0.058 0.000 1.047 32 V CA 1.798 64.084 62.300 -0.023 0.000 1.015 32 V CB -0.930 30.887 31.823 -0.011 0.000 0.642 32 V HN 0.469 nan 8.190 nan 0.000 0.446 33 A N -1.304 121.468 122.820 -0.080 0.000 2.066 33 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 33 A C 2.325 179.835 177.584 -0.122 0.000 1.157 33 A CA 1.765 53.752 52.037 -0.083 0.000 0.670 33 A CB -0.330 18.635 19.000 -0.059 0.000 0.804 33 A HN 0.488 nan 8.150 nan 0.000 0.453 34 S N -1.979 113.600 115.700 -0.200 0.000 2.548 34 S HA 0.355 4.825 4.470 -0.000 0.000 0.215 34 S C 1.409 175.929 174.600 -0.132 0.000 0.976 34 S CA 0.770 58.833 58.200 -0.229 0.000 0.908 34 S CB 0.213 63.133 63.200 -0.467 0.000 0.781 34 S HN 1.521 nan 8.310 nan 0.000 0.519 35 G N 1.655 110.397 108.800 -0.096 0.000 2.157 35 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 35 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 35 G C 0.171 175.036 174.900 -0.059 0.000 0.979 35 G CA 0.213 45.274 45.100 -0.066 0.000 0.650 35 G HN 0.441 nan 8.290 nan 0.000 0.529 36 T N 1.378 115.896 114.554 -0.060 0.000 2.908 36 T HA 0.340 4.690 4.350 -0.000 0.000 0.301 36 T C 1.679 176.341 174.700 -0.063 0.000 1.019 36 T CA 0.808 62.872 62.100 -0.060 0.000 1.152 36 T CB 1.155 69.986 68.868 -0.062 0.000 0.966 36 T HN 0.284 nan 8.240 nan 0.000 0.540 37 S N 1.786 117.445 115.700 -0.067 0.000 2.414 37 S HA 0.359 4.829 4.470 -0.000 0.000 0.227 37 S C 0.859 175.404 174.600 -0.093 0.000 1.022 37 S CA 0.313 58.470 58.200 -0.072 0.000 0.958 37 S CB 0.149 63.313 63.200 -0.060 0.000 0.797 37 S HN 0.956 nan 8.310 nan 0.000 0.493 38 A N 0.285 123.048 122.820 -0.096 0.000 2.601 38 A HA 0.722 5.042 4.320 -0.000 0.000 0.291 38 A C -1.731 175.786 177.584 -0.113 0.000 1.075 38 A CA -0.750 51.227 52.037 -0.101 0.000 0.671 38 A CB 0.760 19.698 19.000 -0.102 0.000 1.277 38 A HN 0.187 nan 8.150 nan 0.000 0.417 39 I N 1.032 121.543 120.570 -0.099 0.000 2.378 39 I HA 0.424 4.594 4.170 -0.000 0.000 0.291 39 I C -0.658 175.409 176.117 -0.084 0.000 0.992 39 I CA -0.990 60.244 61.300 -0.109 0.000 1.154 39 I CB 1.945 39.899 38.000 -0.075 0.000 1.315 39 I HN 0.327 nan 8.210 nan 0.000 0.448 40 V N 5.196 125.055 119.914 -0.091 0.000 2.406 40 V HA 0.206 4.326 4.120 -0.000 0.000 0.272 40 V C 0.297 176.343 176.094 -0.080 0.000 1.043 40 V CA -0.121 62.130 62.300 -0.081 0.000 0.915 40 V CB 1.425 33.192 31.823 -0.094 0.000 0.988 40 V HN 0.771 nan 8.190 nan 0.000 0.466 41 S N 3.980 119.632 115.700 -0.080 0.000 2.442 41 S HA 0.470 4.940 4.470 -0.000 0.000 0.297 41 S C 0.164 174.703 174.600 -0.101 0.000 1.131 41 S CA -0.423 57.728 58.200 -0.082 0.000 1.092 41 S CB 0.971 64.123 63.200 -0.081 0.000 0.998 41 S HN 1.126 nan 8.310 nan 0.000 0.478 42 V N 3.668 123.504 119.914 -0.130 0.000 5.616 42 V HA -0.202 3.918 4.120 -0.000 0.000 0.301 42 V C 1.120 177.133 176.094 -0.134 0.000 0.564 42 V CA 0.994 63.153 62.300 -0.235 0.000 0.653 42 V CB -2.701 28.751 31.823 -0.617 0.000 0.372 42 V HN 0.972 nan 8.190 nan 0.000 1.029 43 G N 0.407 109.170 108.800 -0.063 0.000 2.494 43 G HA2 0.390 4.350 3.960 -0.000 0.000 0.270 43 G HA3 0.390 4.350 3.960 -0.000 0.000 0.270 43 G C 0.994 175.908 174.900 0.023 0.000 1.423 43 G CA 0.467 45.563 45.100 -0.007 0.000 1.055 43 G HN 0.429 nan 8.290 nan 0.000 0.536 44 T N 0.033 114.635 114.554 0.080 0.000 2.777 44 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 44 T C 2.605 177.328 174.700 0.037 0.000 1.040 44 T CA 1.950 64.109 62.100 0.098 0.000 1.141 44 T CB -0.465 68.522 68.868 0.198 0.000 0.868 44 T HN 0.409 nan 8.240 nan 0.000 0.444 45 T N 1.065 115.630 114.554 0.017 0.000 2.962 45 T HA 0.021 4.371 4.350 -0.000 0.000 0.270 45 T C 1.967 176.651 174.700 -0.027 0.000 1.088 45 T CA 1.036 63.127 62.100 -0.014 0.000 1.127 45 T CB -0.404 68.450 68.868 -0.023 0.000 0.883 45 T HN 0.500 nan 8.240 nan 0.000 0.493 46 G N 0.576 109.356 108.800 -0.034 0.000 3.088 46 G HA2 0.157 4.117 3.960 -0.000 0.000 0.212 46 G HA3 0.157 4.117 3.960 -0.000 0.000 0.212 46 G C 0.106 174.973 174.900 -0.056 0.000 1.173 46 G CA -0.286 44.783 45.100 -0.051 0.000 0.779 46 G HN 0.554 nan 8.290 nan 0.000 0.540 47 E N -0.151 120.028 120.200 -0.036 0.000 2.340 47 E HA -0.268 4.082 4.350 -0.000 0.000 0.240 47 E C 1.827 178.405 176.600 -0.036 0.000 1.154 47 E CA 0.221 56.604 56.400 -0.028 0.000 0.717 47 E CB -1.505 28.181 29.700 -0.023 0.000 1.250 47 E HN 0.624 nan 8.360 nan 0.000 0.386 48 S N -0.828 114.849 115.700 -0.039 0.000 2.387 48 S HA -0.265 4.205 4.470 -0.000 0.000 0.230 48 S C 2.091 176.719 174.600 0.047 0.000 1.035 48 S CA 1.122 59.313 58.200 -0.015 0.000 1.014 48 S CB -0.115 63.122 63.200 0.062 0.000 0.836 48 S HN 0.549 nan 8.310 nan 0.000 0.466 49 A N 1.650 124.471 122.820 0.001 0.000 2.015 49 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 49 A C 2.350 179.928 177.584 -0.010 0.000 1.163 49 A CA 1.738 53.759 52.037 -0.026 0.000 0.646 49 A CB -0.990 17.967 19.000 -0.072 0.000 0.806 49 A HN 0.822 nan 8.150 nan 0.000 0.448 50 T N -3.838 110.715 114.554 -0.002 0.000 3.044 50 T HA 0.489 4.839 4.350 -0.000 0.000 0.260 50 T C -0.038 174.668 174.700 0.011 0.000 1.019 50 T CA -0.370 61.729 62.100 -0.002 0.000 0.921 50 T CB -0.041 68.823 68.868 -0.007 0.000 1.053 50 T HN -0.026 nan 8.240 nan 0.000 0.533 51 L N 4.267 125.508 121.223 0.031 0.000 2.289 51 L HA 0.450 4.790 4.340 -0.000 0.000 0.285 51 L C 0.597 177.519 176.870 0.088 0.000 1.049 51 L CA -1.314 53.561 54.840 0.058 0.000 0.804 51 L CB 1.114 43.211 42.059 0.064 0.000 1.195 51 L HN 0.439 nan 8.230 nan 0.000 0.428 52 N N 1.845 120.581 118.700 0.061 0.000 2.317 52 N HA 0.015 4.755 4.740 -0.000 0.000 0.245 52 N C 0.540 176.137 175.510 0.145 0.000 1.294 52 N CA -0.455 52.605 53.050 0.018 0.000 0.924 52 N CB 0.642 39.121 38.487 -0.013 0.000 1.186 52 N HN 0.613 nan 8.380 nan 0.000 0.495 53 H N -1.071 118.054 119.070 0.091 0.000 2.462 53 H HA -0.061 4.495 4.556 -0.000 0.000 0.292 53 H C 0.770 176.140 175.328 0.070 0.000 1.049 53 H CA 0.750 56.839 56.048 0.069 0.000 1.334 53 H CB 0.279 30.034 29.762 -0.012 0.000 1.404 53 H HN 0.581 nan 8.280 nan 0.000 0.544 54 D N 0.867 121.370 120.400 0.171 0.000 2.084 54 D HA -0.126 4.514 4.640 -0.000 0.000 0.196 54 D C 1.863 178.247 176.300 0.141 0.000 0.985 54 D CA 1.048 55.115 54.000 0.113 0.000 0.826 54 D CB -0.152 40.689 40.800 0.069 0.000 0.978 54 D HN 0.523 nan 8.370 nan 0.000 0.456 55 E N -0.300 119.986 120.200 0.144 0.000 2.110 55 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 55 E C 1.987 178.707 176.600 0.199 0.000 0.988 55 E CA 0.674 57.154 56.400 0.135 0.000 0.804 55 E CB -0.168 29.590 29.700 0.097 0.000 0.745 55 E HN 0.507 nan 8.360 nan 0.000 0.458 56 H N 0.240 119.397 119.070 0.146 0.000 2.290 56 H HA -0.119 4.437 4.556 -0.000 0.000 0.298 56 H C 2.109 177.580 175.328 0.238 0.000 1.087 56 H CA 1.499 57.661 56.048 0.190 0.000 1.291 56 H CB 0.076 29.993 29.762 0.259 0.000 1.369 56 H HN 0.181 nan 8.280 nan 0.000 0.492 57 A N 0.585 123.674 122.820 0.448 0.000 1.902 57 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 57 A C 2.002 179.773 177.584 0.312 0.000 1.181 57 A CA 1.782 54.074 52.037 0.424 0.000 0.623 57 A CB -0.391 18.667 19.000 0.098 0.000 0.818 57 A HN 0.540 nan 8.150 nan 0.000 0.443 58 D N -0.253 120.267 120.400 0.200 0.000 2.123 58 D HA -0.110 4.530 4.640 -0.000 0.000 0.196 58 D C 2.013 178.388 176.300 0.126 0.000 0.992 58 D CA 1.423 55.505 54.000 0.136 0.000 0.833 58 D CB -0.385 40.473 40.800 0.098 0.000 0.954 58 D HN 0.230 nan 8.370 nan 0.000 0.455 59 V N 0.404 120.396 119.914 0.130 0.000 2.358 59 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 59 V C 2.615 178.757 176.094 0.081 0.000 1.047 59 V CA 0.852 63.200 62.300 0.081 0.000 1.035 59 V CB -0.331 31.519 31.823 0.045 0.000 0.658 59 V HN 0.057 nan 8.190 nan 0.000 0.452 60 V N -0.407 119.586 119.914 0.132 0.000 2.287 60 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 60 V C 2.529 178.673 176.094 0.082 0.000 1.053 60 V CA 1.994 64.335 62.300 0.069 0.000 1.027 60 V CB -0.603 31.221 31.823 0.001 0.000 0.646 60 V HN 0.405 nan 8.190 nan 0.000 0.447 61 M N -1.212 118.479 119.600 0.151 0.000 2.132 61 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 61 M C 2.161 178.505 176.300 0.074 0.000 1.065 61 M CA 1.781 57.154 55.300 0.122 0.000 1.122 61 M CB -1.200 31.480 32.600 0.134 0.000 1.365 61 M HN 0.373 nan 8.290 nan 0.000 0.411 62 M N -0.258 119.383 119.600 0.068 0.000 2.108 62 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 62 M C 1.838 178.159 176.300 0.035 0.000 1.066 62 M CA 1.719 57.047 55.300 0.046 0.000 1.107 62 M CB -0.212 32.414 32.600 0.044 0.000 1.356 62 M HN 0.222 nan 8.290 nan 0.000 0.406 63 T N 1.171 115.745 114.554 0.032 0.000 2.746 63 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 63 T C 1.573 176.282 174.700 0.016 0.000 1.039 63 T CA 1.320 63.432 62.100 0.020 0.000 1.142 63 T CB -0.271 68.601 68.868 0.007 0.000 0.866 63 T HN 0.285 nan 8.240 nan 0.000 0.444 64 L N 1.674 122.907 121.223 0.017 0.000 2.056 64 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 64 L C 2.202 179.083 176.870 0.018 0.000 1.078 64 L CA 1.745 56.593 54.840 0.014 0.000 0.749 64 L CB -0.757 41.317 42.059 0.024 0.000 0.901 64 L HN 0.250 nan 8.230 nan 0.000 0.433 65 D N -0.865 119.550 120.400 0.025 0.000 2.117 65 D HA -0.196 4.444 4.640 -0.000 0.000 0.198 65 D C 2.163 178.473 176.300 0.016 0.000 0.982 65 D CA 1.255 55.268 54.000 0.022 0.000 0.828 65 D CB 0.189 41.005 40.800 0.026 0.000 0.967 65 D HN 0.406 nan 8.370 nan 0.000 0.464 66 L N 0.607 121.841 121.223 0.017 0.000 2.156 66 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 66 L C 2.841 179.719 176.870 0.014 0.000 1.095 66 L CA 0.861 55.710 54.840 0.015 0.000 0.770 66 L CB -0.333 41.736 42.059 0.018 0.000 0.914 66 L HN 0.010 nan 8.230 nan 0.000 0.439 67 A N -0.694 122.134 122.820 0.013 0.000 1.933 67 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 67 A C 1.210 178.795 177.584 0.002 0.000 1.175 67 A CA 1.466 53.508 52.037 0.008 0.000 0.628 67 A CB -0.422 18.579 19.000 0.002 0.000 0.814 67 A HN 0.539 nan 8.150 nan 0.000 0.444 68 D N -3.174 117.228 120.400 0.003 0.000 2.751 68 D HA -0.137 4.503 4.640 -0.000 0.000 0.233 68 D C 0.918 177.215 176.300 -0.004 0.000 1.149 68 D CA 1.935 55.935 54.000 0.001 0.000 0.682 68 D CB -1.585 39.217 40.800 0.002 0.000 1.068 68 D HN 1.480 nan 8.370 nan 0.000 0.429 69 G N -0.654 108.141 108.800 -0.008 0.000 2.184 69 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.264 69 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.264 69 G C 1.154 176.041 174.900 -0.021 0.000 0.975 69 G CA 0.670 45.761 45.100 -0.015 0.000 0.642 69 G HN 0.570 nan 8.290 nan 0.000 0.536 70 R N -0.657 119.832 120.500 -0.018 0.000 2.246 70 R HA 0.529 4.869 4.340 -0.000 0.000 0.199 70 R C 0.913 177.196 176.300 -0.028 0.000 0.984 70 R CA 1.028 57.116 56.100 -0.021 0.000 1.015 70 R CB 0.632 30.924 30.300 -0.014 0.000 0.930 70 R HN 0.560 nan 8.270 nan 0.000 0.475 71 I N 0.931 121.482 120.570 -0.031 0.000 2.685 71 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 71 I C -2.803 173.282 176.117 -0.054 0.000 1.292 71 I CA -2.632 58.643 61.300 -0.042 0.000 1.050 71 I CB 2.335 40.321 38.000 -0.024 0.000 1.301 71 I HN -0.171 nan 8.210 nan 0.000 0.425 72 P HA 0.208 nan 4.420 nan 0.000 0.269 72 P C -1.297 175.956 177.300 -0.078 0.000 1.209 72 P CA -0.194 62.848 63.100 -0.097 0.000 0.776 72 P CB 0.788 32.388 31.700 -0.166 0.000 0.876 73 V N 4.156 124.033 119.914 -0.062 0.000 2.531 73 V HA 0.382 4.502 4.120 -0.000 0.000 0.301 73 V C 0.087 176.151 176.094 -0.049 0.000 1.034 73 V CA -0.447 61.820 62.300 -0.055 0.000 0.865 73 V CB 1.606 33.400 31.823 -0.048 0.000 0.995 73 V HN 0.389 nan 8.190 nan 0.000 0.424 74 I N 3.897 124.440 120.570 -0.045 0.000 2.377 74 I HA 0.687 4.857 4.170 -0.000 0.000 0.293 74 I C 0.481 176.545 176.117 -0.089 0.000 0.987 74 I CA -0.392 60.893 61.300 -0.025 0.000 1.185 74 I CB 1.849 39.868 38.000 0.030 0.000 1.341 74 I HN 0.688 nan 8.210 nan 0.000 0.455 75 A N 4.834 127.565 122.820 -0.149 0.000 2.301 75 A HA 0.670 4.990 4.320 -0.000 0.000 0.298 75 A C 0.415 177.949 177.584 -0.083 0.000 1.185 75 A CA -0.456 51.431 52.037 -0.250 0.000 0.830 75 A CB 0.505 19.086 19.000 -0.698 0.000 1.112 75 A HN 0.834 nan 8.150 nan 0.000 0.508 76 G N 0.956 109.769 108.800 0.022 0.000 2.365 76 G HA2 0.412 4.372 3.960 -0.000 0.000 0.249 76 G HA3 0.412 4.372 3.960 -0.000 0.000 0.249 76 G C 0.633 175.699 174.900 0.276 0.000 1.288 76 G CA 0.584 45.779 45.100 0.158 0.000 0.887 76 G HN 1.288 nan 8.290 nan 0.000 0.524 77 T N -0.518 114.177 114.554 0.235 0.000 3.262 77 T HA 0.349 4.699 4.350 -0.000 0.000 0.300 77 T C 0.965 175.791 174.700 0.211 0.000 0.959 77 T CA 0.237 62.453 62.100 0.193 0.000 0.936 77 T CB 0.321 69.290 68.868 0.169 0.000 1.169 77 T HN 0.775 nan 8.240 nan 0.000 0.532 78 G N 0.919 109.900 108.800 0.302 0.000 2.441 78 G HA2 0.563 4.523 3.960 -0.000 0.000 0.243 78 G HA3 0.563 4.523 3.960 -0.000 0.000 0.243 78 G C -0.252 174.861 174.900 0.355 0.000 1.281 78 G CA -0.014 45.296 45.100 0.350 0.000 0.854 78 G HN 0.913 nan 8.290 nan 0.000 0.560 79 A N 1.266 124.277 122.820 0.318 0.000 2.574 79 A HA 0.533 4.853 4.320 -0.000 0.000 0.297 79 A C 0.518 178.072 177.584 -0.050 0.000 1.062 79 A CA -0.408 51.783 52.037 0.258 0.000 0.686 79 A CB 0.946 20.067 19.000 0.203 0.000 1.285 79 A HN 0.887 nan 8.150 nan 0.000 0.403 80 N N 0.790 119.238 118.700 -0.419 0.000 2.398 80 N HA 0.292 5.032 4.740 -0.000 0.000 0.188 80 N C 0.451 175.737 175.510 -0.374 0.000 1.122 80 N CA 0.575 53.202 53.050 -0.705 0.000 0.866 80 N CB 0.432 38.167 38.487 -1.253 0.000 0.970 80 N HN 0.710 nan 8.380 nan 0.000 0.462 81 A N 0.166 122.883 122.820 -0.173 0.000 2.287 81 A HA 0.374 4.694 4.320 -0.000 0.000 0.317 81 A C 0.921 178.511 177.584 0.010 0.000 1.220 81 A CA -0.684 51.304 52.037 -0.082 0.000 0.835 81 A CB 1.165 20.144 19.000 -0.036 0.000 1.180 81 A HN 0.147 nan 8.150 nan 0.000 0.500 82 T N 2.210 116.793 114.554 0.049 0.000 2.720 82 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 82 T C 2.244 176.931 174.700 -0.022 0.000 1.037 82 T CA 2.190 64.370 62.100 0.132 0.000 1.144 82 T CB -0.166 68.779 68.868 0.129 0.000 0.864 82 T HN 0.897 nan 8.240 nan 0.000 0.444 83 A N 1.200 123.997 122.820 -0.038 0.000 1.933 83 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 83 A C 2.242 179.800 177.584 -0.043 0.000 1.175 83 A CA 1.563 53.562 52.037 -0.065 0.000 0.628 83 A CB -0.435 18.539 19.000 -0.044 0.000 0.814 83 A HN 0.329 nan 8.150 nan 0.000 0.444 84 E N -0.227 119.973 120.200 0.001 0.000 2.152 84 E HA 0.081 4.431 4.350 -0.000 0.000 0.192 84 E C 2.173 178.769 176.600 -0.007 0.000 0.983 84 E CA 1.083 57.505 56.400 0.036 0.000 0.818 84 E CB -0.439 29.332 29.700 0.119 0.000 0.758 84 E HN 0.514 nan 8.360 nan 0.000 0.467 85 A N 0.387 123.215 122.820 0.013 0.000 1.898 85 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 85 A C 2.263 179.808 177.584 -0.064 0.000 1.181 85 A CA 1.238 53.274 52.037 -0.002 0.000 0.620 85 A CB -0.655 18.368 19.000 0.037 0.000 0.819 85 A HN 0.253 nan 8.150 nan 0.000 0.442 86 I N -0.429 120.078 120.570 -0.105 0.000 2.163 86 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 86 I C 2.901 178.969 176.117 -0.083 0.000 1.085 86 I CA 1.711 62.940 61.300 -0.118 0.000 1.347 86 I CB -0.223 37.634 38.000 -0.239 0.000 1.044 86 I HN 0.443 nan 8.210 nan 0.000 0.408 87 S N 0.801 116.445 115.700 -0.092 0.000 2.368 87 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 87 S C 2.041 176.537 174.600 -0.173 0.000 1.030 87 S CA 1.273 59.414 58.200 -0.099 0.000 0.999 87 S CB -0.357 62.802 63.200 -0.067 0.000 0.844 87 S HN 0.333 nan 8.310 nan 0.000 0.459 88 L N 1.756 122.838 121.223 -0.236 0.000 2.056 88 L HA 0.017 4.357 4.340 -0.000 0.000 0.207 88 L C 2.424 179.163 176.870 -0.219 0.000 1.078 88 L CA 2.370 56.993 54.840 -0.362 0.000 0.749 88 L CB -1.483 40.274 42.059 -0.504 0.000 0.901 88 L HN 0.291 nan 8.230 nan 0.000 0.433 89 T N -0.685 113.836 114.554 -0.054 0.000 2.720 89 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 89 T C 1.823 176.532 174.700 0.016 0.000 1.037 89 T CA 1.793 63.942 62.100 0.082 0.000 1.144 89 T CB -0.194 68.713 68.868 0.064 0.000 0.864 89 T HN 0.480 nan 8.240 nan 0.000 0.444 90 Q N 0.272 120.030 119.800 -0.070 0.000 2.224 90 Q HA 0.008 4.348 4.340 -0.000 0.000 0.203 90 Q C 2.475 178.379 176.000 -0.161 0.000 0.970 90 Q CA 0.851 56.612 55.803 -0.069 0.000 0.865 90 Q CB -0.106 28.602 28.738 -0.049 0.000 0.922 90 Q HN 0.447 nan 8.270 nan 0.000 0.445 91 R N -0.543 119.738 120.500 -0.364 0.000 2.200 91 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 91 R C 1.031 177.005 176.300 -0.544 0.000 1.127 91 R CA 1.122 56.888 56.100 -0.556 0.000 0.989 91 R CB 0.015 29.756 30.300 -0.932 0.000 0.869 91 R HN 0.274 nan 8.270 nan 0.000 0.459 92 F N -0.273 119.670 119.950 -0.012 0.000 2.678 92 F HA 0.195 4.722 4.527 -0.000 0.000 0.305 92 F C 0.289 176.095 175.800 0.011 0.000 1.090 92 F CA -0.942 57.060 58.000 0.005 0.000 1.272 92 F CB 0.109 39.115 39.000 0.010 0.000 1.060 92 F HN -0.207 nan 8.300 nan 0.000 0.576 93 N N 1.521 120.291 118.700 0.116 0.000 2.412 93 N HA 0.133 4.873 4.740 -0.000 0.000 0.258 93 N C 0.605 176.155 175.510 0.067 0.000 1.236 93 N CA 1.349 54.447 53.050 0.081 0.000 0.882 93 N CB -0.169 38.343 38.487 0.042 0.000 1.066 93 N HN 0.457 nan 8.380 nan 0.000 0.465 94 D N -0.968 119.470 120.400 0.063 0.000 2.772 94 D HA -0.210 4.430 4.640 -0.000 0.000 0.233 94 D C 0.923 177.259 176.300 0.060 0.000 1.143 94 D CA 1.371 55.401 54.000 0.050 0.000 0.700 94 D CB -1.995 nan 40.800 nan 0.000 1.076 94 D HN 0.559 nan 8.370 nan 0.000 0.430 95 S N -3.257 112.495 115.700 0.087 0.000 2.527 95 S HA 0.525 4.995 4.470 -0.000 0.000 0.227 95 S C 2.304 176.950 174.600 0.076 0.000 1.059 95 S CA 1.349 59.610 58.200 0.102 0.000 0.919 95 S CB 1.025 64.337 63.200 0.187 0.000 0.805 95 S HN 2.290 nan 8.310 nan 0.000 0.500 96 G N 1.881 110.719 108.800 0.062 0.000 2.296 96 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.188 96 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.188 96 G C 0.117 175.031 174.900 0.024 0.000 1.000 96 G CA -0.292 44.831 45.100 0.037 0.000 0.672 96 G HN 1.002 nan 8.290 nan 0.000 0.483 97 I N 0.624 121.211 120.570 0.029 0.000 2.754 97 I HA 0.487 4.657 4.170 -0.000 0.000 0.285 97 I C 1.863 177.994 176.117 0.024 0.000 1.166 97 I CA -0.212 61.088 61.300 -0.000 0.000 1.417 97 I CB 1.177 39.147 38.000 -0.051 0.000 1.382 97 I HN 0.286 nan 8.210 nan 0.000 0.588 98 V N 2.154 122.080 119.914 0.021 0.000 3.406 98 V HA 0.545 4.665 4.120 -0.000 0.000 0.263 98 V C 0.891 177.090 176.094 0.176 0.000 1.172 98 V CA 0.833 63.167 62.300 0.056 0.000 1.140 98 V CB -1.341 30.453 31.823 -0.047 0.000 0.784 98 V HN 1.210 nan 8.190 nan 0.000 0.467 99 G N -1.904 106.984 108.800 0.146 0.000 2.349 99 G HA2 0.445 4.405 3.960 -0.000 0.000 0.294 99 G HA3 0.445 4.405 3.960 -0.000 0.000 0.294 99 G C -1.683 173.251 174.900 0.058 0.000 1.380 99 G CA 0.025 45.208 45.100 0.139 0.000 0.811 99 G HN 0.258 nan 8.290 nan 0.000 0.519 100 C N -0.412 118.904 119.300 0.025 0.000 2.455 100 C HA 0.757 5.217 4.460 -0.000 0.000 0.320 100 C C -0.217 174.780 174.990 0.012 0.000 1.226 100 C CA -0.597 58.434 59.018 0.022 0.000 1.569 100 C CB 0.749 28.524 27.740 0.059 0.000 2.200 100 C HN 0.785 nan 8.230 nan 0.000 0.491 101 L N 2.891 124.135 121.223 0.034 0.000 2.280 101 L HA 0.652 4.992 4.340 -0.000 0.000 0.287 101 L C 0.125 177.103 176.870 0.178 0.000 1.023 101 L CA 0.654 55.524 54.840 0.051 0.000 0.819 101 L CB 1.167 43.215 42.059 -0.019 0.000 1.212 101 L HN 0.808 nan 8.230 nan 0.000 0.420 102 T N 4.644 119.347 114.554 0.248 0.000 2.840 102 T HA 0.469 4.819 4.350 -0.000 0.000 0.287 102 T C -0.998 174.036 174.700 0.556 0.000 0.991 102 T CA -0.392 61.943 62.100 0.390 0.000 0.964 102 T CB 1.040 70.134 68.868 0.377 0.000 0.954 102 T HN 0.441 nan 8.240 nan 0.000 0.438 103 V N 5.778 126.004 119.914 0.520 0.000 2.785 103 V HA 0.603 4.723 4.120 -0.000 0.000 0.300 103 V C 0.873 177.229 176.094 0.437 0.000 1.062 103 V CA -0.240 62.277 62.300 0.362 0.000 1.029 103 V CB 1.546 33.429 31.823 0.101 0.000 1.024 103 V HN 1.135 nan 8.190 nan 0.000 0.477 104 T N 5.182 119.958 114.554 0.370 0.000 2.908 104 T HA 0.195 4.545 4.350 -0.000 0.000 0.301 104 T C -2.517 172.175 174.700 -0.013 0.000 1.019 104 T CA -0.923 61.309 62.100 0.220 0.000 1.152 104 T CB 0.462 69.441 68.868 0.186 0.000 0.966 104 T HN 0.598 nan 8.240 nan 0.000 0.540 105 P HA 0.042 nan 4.420 nan 0.000 0.261 105 P C -0.631 176.526 177.300 -0.239 0.000 1.165 105 P CA 0.194 63.020 63.100 -0.456 0.000 0.759 105 P CB -0.133 31.211 31.700 -0.593 0.000 0.772 106 Y N 1.630 121.914 120.300 -0.026 0.000 2.453 106 Y HA 0.554 5.104 4.550 -0.000 0.000 0.326 106 Y C 1.386 177.372 175.900 0.143 0.000 1.186 106 Y CA -1.278 56.845 58.100 0.039 0.000 1.200 106 Y CB 0.298 38.790 38.460 0.054 0.000 1.247 106 Y HN 0.450 nan 8.280 nan 0.000 0.482 107 F N 0.504 120.513 119.950 0.098 0.000 2.555 107 F HA -0.464 4.063 4.527 0.000 0.000 0.693 107 F C 1.344 177.128 175.800 -0.026 0.000 0.487 107 F CA 2.427 60.454 58.000 0.046 0.000 0.748 107 F CB -1.082 37.970 39.000 0.087 0.000 1.624 107 F HN 0.714 nan 8.300 nan 0.000 0.266 108 N N 1.912 120.637 118.700 0.041 0.000 2.461 108 N HA -0.007 4.733 4.740 -0.000 0.000 0.188 108 N C -0.175 175.272 175.510 -0.105 0.000 1.134 108 N CA 1.012 54.034 53.050 -0.046 0.000 0.878 108 N CB -0.540 37.940 38.487 -0.011 0.000 0.972 108 N HN 0.597 nan 8.380 nan 0.000 0.456 109 R N 0.168 120.603 120.500 -0.110 0.000 3.022 109 R HA -0.106 4.234 4.340 -0.000 0.000 0.248 109 R C -1.966 174.289 176.300 -0.076 0.000 0.874 109 R CA 0.397 56.442 56.100 -0.091 0.000 0.626 109 R CB -1.927 28.311 30.300 -0.104 0.000 1.255 109 R HN 0.474 nan 8.270 nan 0.000 0.496 110 P HA 0.005 nan 4.420 nan 0.000 0.270 110 P C 0.412 177.695 177.300 -0.029 0.000 1.223 110 P CA -0.144 62.918 63.100 -0.064 0.000 0.785 110 P CB 0.604 32.246 31.700 -0.097 0.000 0.923 111 S N 0.939 116.632 115.700 -0.012 0.000 2.617 111 S HA 0.029 4.499 4.470 -0.000 0.000 0.259 111 S C 1.338 175.958 174.600 0.034 0.000 1.301 111 S CA -0.435 57.769 58.200 0.008 0.000 0.984 111 S CB 0.323 63.528 63.200 0.008 0.000 0.954 111 S HN 0.371 nan 8.310 nan 0.000 0.572 112 Q N 0.382 120.209 119.800 0.044 0.000 2.181 112 Q HA -0.136 4.204 4.340 -0.000 0.000 0.205 112 Q C 1.972 178.037 176.000 0.107 0.000 0.980 112 Q CA 1.902 57.750 55.803 0.076 0.000 0.862 112 Q CB -0.674 28.096 28.738 0.053 0.000 0.905 112 Q HN 0.941 nan 8.270 nan 0.000 0.429 113 E N 0.150 120.397 120.200 0.079 0.000 2.106 113 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 113 E C 1.959 178.647 176.600 0.147 0.000 0.984 113 E CA 1.418 57.883 56.400 0.110 0.000 0.806 113 E CB -0.661 29.075 29.700 0.061 0.000 0.750 113 E HN 0.347 nan 8.360 nan 0.000 0.458 114 G N 0.742 109.592 108.800 0.084 0.000 2.418 114 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 114 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 114 G C 1.602 176.539 174.900 0.062 0.000 1.158 114 G CA 0.946 46.076 45.100 0.050 0.000 0.771 114 G HN 0.304 nan 8.290 nan 0.000 0.545 115 L N -1.072 120.207 121.223 0.094 0.000 2.046 115 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 115 L C 2.562 179.605 176.870 0.288 0.000 1.077 115 L CA 1.283 56.211 54.840 0.147 0.000 0.747 115 L CB -0.534 41.666 42.059 0.235 0.000 0.896 115 L HN 0.285 nan 8.230 nan 0.000 0.432 116 Y N 0.938 121.340 120.300 0.171 0.000 2.097 116 Y HA -0.322 4.228 4.550 0.000 0.000 0.282 116 Y C 2.800 178.781 175.900 0.135 0.000 1.152 116 Y CA 1.726 59.925 58.100 0.166 0.000 1.136 116 Y CB -0.181 38.339 38.460 0.099 0.000 0.975 116 Y HN 0.165 nan 8.280 nan 0.000 0.498 117 Q N -0.949 118.903 119.800 0.086 0.000 2.170 117 Q HA -0.222 4.118 4.340 -0.000 0.000 0.203 117 Q C 2.160 178.123 176.000 -0.063 0.000 0.976 117 Q CA 1.950 57.736 55.803 -0.029 0.000 0.858 117 Q CB -0.766 28.009 28.738 0.060 0.000 0.907 117 Q HN 0.728 nan 8.270 nan 0.000 0.433 118 H N -0.128 118.852 119.070 -0.151 0.000 2.299 118 H HA -0.056 4.500 4.556 -0.000 0.000 0.302 118 H C 1.655 176.839 175.328 -0.240 0.000 1.078 118 H CA 1.691 57.582 56.048 -0.261 0.000 1.323 118 H CB -0.405 29.098 29.762 -0.431 0.000 1.381 118 H HN 0.155 nan 8.280 nan 0.000 0.498 119 F N 0.574 120.421 119.950 -0.171 0.000 2.259 119 F HA -0.028 4.499 4.527 -0.000 0.000 0.298 119 F C 2.723 178.399 175.800 -0.207 0.000 1.088 119 F CA 0.980 58.857 58.000 -0.206 0.000 1.358 119 F CB -0.063 38.914 39.000 -0.038 0.000 1.040 119 F HN 0.159 nan 8.300 nan 0.000 0.505 120 K N 0.905 121.245 120.400 -0.099 0.000 2.026 120 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 120 K C 2.272 178.813 176.600 -0.098 0.000 1.048 120 K CA 1.223 57.396 56.287 -0.190 0.000 0.929 120 K CB -0.297 31.918 32.500 -0.475 0.000 0.713 120 K HN 0.202 nan 8.250 nan 0.000 0.439 121 A N 1.282 124.034 122.820 -0.114 0.000 1.933 121 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 121 A C 2.066 179.617 177.584 -0.055 0.000 1.175 121 A CA 1.376 53.374 52.037 -0.066 0.000 0.628 121 A CB -0.519 18.401 19.000 -0.133 0.000 0.814 121 A HN 0.341 nan 8.150 nan 0.000 0.444 122 I N -0.254 120.234 120.570 -0.137 0.000 2.179 122 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 122 I C 2.966 179.099 176.117 0.027 0.000 1.088 122 I CA 1.157 62.402 61.300 -0.092 0.000 1.357 122 I CB -0.307 37.613 38.000 -0.134 0.000 1.051 122 I HN 0.345 nan 8.210 nan 0.000 0.409 123 A N 0.148 122.986 122.820 0.030 0.000 1.933 123 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 123 A C 2.173 179.789 177.584 0.052 0.000 1.175 123 A CA 1.642 53.703 52.037 0.041 0.000 0.628 123 A CB -0.582 18.434 19.000 0.027 0.000 0.814 123 A HN 0.453 nan 8.150 nan 0.000 0.444 124 E N -1.340 118.904 120.200 0.073 0.000 2.347 124 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 124 E C 0.494 177.108 176.600 0.024 0.000 1.008 124 E CA 0.682 57.118 56.400 0.060 0.000 0.852 124 E CB -0.074 29.671 29.700 0.075 0.000 0.783 124 E HN 0.784 nan 8.360 nan 0.000 0.505 125 H N -1.103 117.954 119.070 -0.021 0.000 2.507 125 H HA 0.247 4.803 4.556 -0.000 0.000 0.294 125 H C -0.597 174.726 175.328 -0.008 0.000 1.064 125 H CA 0.262 56.299 56.048 -0.018 0.000 1.138 125 H CB 0.871 30.616 29.762 -0.028 0.000 1.515 125 H HN -0.121 nan 8.280 nan 0.000 0.547 126 T N -1.471 113.123 114.554 0.068 0.000 2.886 126 T HA 0.094 4.444 4.350 -0.000 0.000 0.330 126 T C -0.326 174.395 174.700 0.035 0.000 1.488 126 T CA -0.684 61.448 62.100 0.053 0.000 1.054 126 T CB 1.217 70.127 68.868 0.070 0.000 1.348 126 T HN 0.037 nan 8.240 nan 0.000 0.489 127 D N 1.573 121.994 120.400 0.034 0.000 2.346 127 D HA 0.194 4.834 4.640 -0.000 0.000 0.206 127 D C 0.797 177.121 176.300 0.040 0.000 1.001 127 D CA 0.271 54.289 54.000 0.031 0.000 0.871 127 D CB 0.228 41.044 40.800 0.027 0.000 0.943 127 D HN 0.445 nan 8.370 nan 0.000 0.518 128 L N 2.339 123.593 121.223 0.051 0.000 2.490 128 L HA 0.119 4.459 4.340 -0.000 0.000 0.274 128 L C -2.054 174.840 176.870 0.040 0.000 1.201 128 L CA -1.437 53.438 54.840 0.059 0.000 0.869 128 L CB -0.061 42.043 42.059 0.075 0.000 1.123 128 L HN -0.290 nan 8.230 nan 0.000 0.484 129 P HA -0.030 nan 4.420 nan 0.000 0.265 129 P C -1.090 176.166 177.300 -0.074 0.000 1.187 129 P CA 0.099 63.181 63.100 -0.029 0.000 0.766 129 P CB 0.434 32.128 31.700 -0.010 0.000 0.820 130 Q N 2.452 122.179 119.800 -0.123 0.000 2.325 130 Q HA 0.451 4.791 4.340 -0.000 0.000 0.270 130 Q C -0.444 175.435 176.000 -0.202 0.000 1.020 130 Q CA -0.390 55.351 55.803 -0.104 0.000 0.785 130 Q CB 1.820 30.536 28.738 -0.036 0.000 1.259 130 Q HN 0.449 nan 8.270 nan 0.000 0.452 131 I N 3.423 123.874 120.570 -0.198 0.000 2.307 131 I HA 0.156 4.326 4.170 -0.000 0.000 0.289 131 I C -0.138 175.904 176.117 -0.125 0.000 1.021 131 I CA -0.843 60.319 61.300 -0.231 0.000 1.224 131 I CB 0.749 38.602 38.000 -0.245 0.000 1.376 131 I HN 0.234 nan 8.210 nan 0.000 0.470 132 L N 7.014 128.133 121.223 -0.173 0.000 2.482 132 L HA 0.060 4.400 4.340 -0.000 0.000 0.273 132 L C -0.436 176.463 176.870 0.048 0.000 1.228 132 L CA 0.374 55.083 54.840 -0.217 0.000 0.827 132 L CB -0.350 41.520 42.059 -0.316 0.000 1.099 132 L HN 0.414 nan 8.230 nan 0.000 0.494 133 Y N 2.778 123.064 120.300 -0.024 0.000 2.307 133 Y HA 0.384 4.934 4.550 -0.000 0.000 0.323 133 Y C -0.899 175.076 175.900 0.125 0.000 1.100 133 Y CA -1.797 56.340 58.100 0.062 0.000 1.140 133 Y CB 1.033 39.549 38.460 0.092 0.000 1.159 133 Y HN 0.706 nan 8.280 nan 0.000 0.436 134 N N 4.157 122.984 118.700 0.212 0.000 2.417 134 N HA 0.568 5.308 4.740 -0.000 0.000 0.274 134 N C -1.854 173.680 175.510 0.040 0.000 0.987 134 N CA -0.287 52.809 53.050 0.077 0.000 0.912 134 N CB 1.777 40.337 38.487 0.120 0.000 1.177 134 N HN 0.457 nan 8.380 nan 0.000 0.490 135 V N 6.834 126.707 119.914 -0.068 0.000 2.811 135 V HA 0.374 4.494 4.120 -0.000 0.000 0.266 135 V C -2.079 174.005 176.094 -0.016 0.000 0.872 135 V CA -1.360 60.921 62.300 -0.031 0.000 0.992 135 V CB 1.355 33.130 31.823 -0.081 0.000 1.016 135 V HN 0.607 nan 8.190 nan 0.000 0.496 136 P HA -0.169 nan 4.420 nan 0.000 0.216 136 P C 1.901 179.211 177.300 0.018 0.000 1.150 136 P CA 2.307 65.417 63.100 0.017 0.000 0.843 136 P CB 0.155 31.868 31.700 0.022 0.000 0.787 137 S N -1.020 114.692 115.700 0.018 0.000 2.442 137 S HA -0.133 4.337 4.470 -0.000 0.000 0.236 137 S C 1.904 176.523 174.600 0.032 0.000 1.007 137 S CA 0.948 59.161 58.200 0.022 0.000 0.965 137 S CB -0.747 62.464 63.200 0.019 0.000 0.773 137 S HN 0.172 nan 8.310 nan 0.000 0.504 138 R N 0.592 121.110 120.500 0.030 0.000 2.175 138 R HA 0.086 4.426 4.340 -0.000 0.000 0.202 138 R C 2.548 178.883 176.300 0.058 0.000 1.018 138 R CA 1.396 57.517 56.100 0.036 0.000 1.029 138 R CB -0.317 29.993 30.300 0.017 0.000 0.959 138 R HN 0.726 nan 8.270 nan 0.000 0.480 139 T N -3.755 110.833 114.554 0.057 0.000 3.039 139 T HA 0.178 4.528 4.350 -0.000 0.000 0.250 139 T C 1.505 176.253 174.700 0.080 0.000 1.052 139 T CA 0.718 62.885 62.100 0.112 0.000 1.125 139 T CB 0.689 69.604 68.868 0.079 0.000 0.908 139 T HN 0.330 nan 8.240 nan 0.000 0.473 140 G N 0.971 109.792 108.800 0.035 0.000 2.157 140 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.248 140 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.248 140 G C 0.320 175.215 174.900 -0.009 0.000 0.979 140 G CA 0.245 45.345 45.100 -0.000 0.000 0.650 140 G HN 1.515 nan 8.290 nan 0.000 0.529 141 C N -1.179 118.126 119.300 0.007 0.000 3.241 141 C HA 0.851 5.311 4.460 -0.000 0.000 0.312 141 C C -1.273 173.735 174.990 0.029 0.000 1.350 141 C CA -0.603 58.420 59.018 0.009 0.000 1.415 141 C CB 2.284 30.023 27.740 -0.002 0.000 1.770 141 C HN 0.410 nan 8.230 nan 0.000 0.466 142 D N 1.899 122.321 120.400 0.037 0.000 2.476 142 D HA 0.370 5.010 4.640 -0.000 0.000 0.251 142 D C -1.023 175.319 176.300 0.069 0.000 1.291 142 D CA -0.141 53.889 54.000 0.050 0.000 0.939 142 D CB 1.508 42.330 40.800 0.036 0.000 1.221 142 D HN 0.753 nan 8.370 nan 0.000 0.567 143 L N 5.360 126.641 121.223 0.097 0.000 2.454 143 L HA 0.311 4.651 4.340 -0.000 0.000 0.284 143 L C -0.685 176.241 176.870 0.093 0.000 1.139 143 L CA 0.039 54.953 54.840 0.122 0.000 0.911 143 L CB -0.280 41.879 42.059 0.167 0.000 1.262 143 L HN 0.383 nan 8.230 nan 0.000 0.453 144 L N 7.133 128.400 121.223 0.074 0.000 2.464 144 L HA 0.210 4.550 4.340 -0.000 0.000 0.264 144 L C -0.986 175.912 176.870 0.047 0.000 1.199 144 L CA -1.481 53.390 54.840 0.053 0.000 0.818 144 L CB 0.035 42.115 42.059 0.036 0.000 1.102 144 L HN 0.430 nan 8.230 nan 0.000 0.473 145 P HA -0.237 nan 4.420 nan 0.000 0.216 145 P C 1.318 178.616 177.300 -0.004 0.000 1.154 145 P CA 1.230 64.341 63.100 0.017 0.000 0.865 145 P CB 0.188 31.893 31.700 0.007 0.000 0.789 146 E N -0.812 119.386 120.200 -0.004 0.000 2.070 146 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 146 E C 1.489 178.081 176.600 -0.013 0.000 1.004 146 E CA 2.141 58.530 56.400 -0.018 0.000 0.805 146 E CB -0.644 29.046 29.700 -0.017 0.000 0.744 146 E HN 0.141 nan 8.360 nan 0.000 0.451 147 T N 0.175 114.741 114.554 0.019 0.000 2.867 147 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 147 T C 1.897 176.640 174.700 0.072 0.000 1.057 147 T CA 1.082 63.217 62.100 0.059 0.000 1.136 147 T CB -0.071 68.862 68.868 0.108 0.000 0.874 147 T HN 0.040 nan 8.240 nan 0.000 0.466 148 V N 1.638 121.573 119.914 0.034 0.000 2.358 148 V HA -0.079 4.041 4.120 -0.000 0.000 0.246 148 V C 2.905 178.926 176.094 -0.122 0.000 1.047 148 V CA 1.910 64.206 62.300 -0.006 0.000 1.035 148 V CB -1.398 30.432 31.823 0.013 0.000 0.658 148 V HN 0.575 nan 8.190 nan 0.000 0.452 149 G N -0.419 108.304 108.800 -0.127 0.000 2.440 149 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 149 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 149 G C 1.739 176.575 174.900 -0.105 0.000 1.154 149 G CA 0.965 45.964 45.100 -0.169 0.000 0.767 149 G HN 0.424 nan 8.290 nan 0.000 0.552 150 R N -0.260 120.218 120.500 -0.035 0.000 2.081 150 R HA 0.111 4.451 4.340 -0.000 0.000 0.235 150 R C 2.488 178.881 176.300 0.155 0.000 1.131 150 R CA 0.912 57.025 56.100 0.020 0.000 0.960 150 R CB -0.303 29.974 30.300 -0.038 0.000 0.856 150 R HN 0.389 nan 8.270 nan 0.000 0.436 151 L N -0.029 121.294 121.223 0.166 0.000 2.291 151 L HA -0.000 4.340 4.340 -0.000 0.000 0.214 151 L C 2.379 179.292 176.870 0.072 0.000 1.120 151 L CA 0.725 55.667 54.840 0.169 0.000 0.799 151 L CB -0.210 41.930 42.059 0.135 0.000 0.925 151 L HN 0.276 nan 8.230 nan 0.000 0.446 152 A N -0.122 122.667 122.820 -0.052 0.000 2.119 152 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 152 A C 2.172 179.748 177.584 -0.013 0.000 1.153 152 A CA 1.045 53.013 52.037 -0.115 0.000 0.692 152 A CB -0.202 18.426 19.000 -0.621 0.000 0.799 152 A HN 0.276 nan 8.150 nan 0.000 0.458 153 K N -0.259 120.144 120.400 0.005 0.000 2.365 153 K HA 0.057 4.377 4.320 -0.000 0.000 0.199 153 K C 0.075 176.709 176.600 0.056 0.000 1.045 153 K CA 0.224 56.529 56.287 0.031 0.000 0.962 153 K CB -0.086 32.436 32.500 0.037 0.000 0.759 153 K HN 0.303 nan 8.250 nan 0.000 0.469 154 V N 2.207 122.162 119.914 0.069 0.000 2.529 154 V HA -0.033 4.087 4.120 -0.000 0.000 0.292 154 V C 1.646 177.774 176.094 0.057 0.000 1.028 154 V CA 0.532 62.866 62.300 0.057 0.000 1.074 154 V CB 0.705 32.554 31.823 0.043 0.000 0.958 154 V HN 0.328 nan 8.190 nan 0.000 0.481 155 K N 3.953 124.379 120.400 0.045 0.000 2.057 155 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 155 K C 1.706 178.330 176.600 0.040 0.000 1.049 155 K CA 1.995 58.308 56.287 0.043 0.000 0.931 155 K CB -1.118 31.402 32.500 0.033 0.000 0.714 155 K HN 0.779 nan 8.250 nan 0.000 0.440 156 N N -0.545 118.173 118.700 0.031 0.000 2.364 156 N HA -0.008 4.732 4.740 -0.000 0.000 0.183 156 N C -0.249 175.263 175.510 0.004 0.000 1.022 156 N CA 0.271 53.332 53.050 0.019 0.000 0.883 156 N CB -0.066 38.434 38.487 0.021 0.000 0.965 156 N HN 0.470 nan 8.380 nan 0.000 0.438 157 I N 1.754 122.344 120.570 0.033 0.000 2.304 157 I HA 0.086 4.256 4.170 -0.000 0.000 0.291 157 I C 0.317 176.494 176.117 0.101 0.000 1.018 157 I CA -0.231 61.093 61.300 0.041 0.000 1.260 157 I CB 1.278 39.326 38.000 0.080 0.000 1.390 157 I HN 0.091 nan 8.210 nan 0.000 0.475 158 I N 2.392 122.889 120.570 -0.122 0.000 4.338 158 I HA 0.662 4.832 4.170 -0.000 0.000 0.329 158 I C 0.452 176.000 176.117 -0.948 0.000 1.378 158 I CA -0.171 60.945 61.300 -0.307 0.000 1.170 158 I CB 0.571 38.390 38.000 -0.302 0.000 1.206 158 I HN 0.494 nan 8.210 nan 0.000 0.432 159 G N 0.734 108.824 108.800 -1.183 0.000 2.349 159 G HA2 0.599 4.559 3.960 -0.000 0.000 0.294 159 G HA3 0.599 4.559 3.960 -0.000 0.000 0.294 159 G C -2.233 172.290 174.900 -0.628 0.000 1.380 159 G CA -0.458 43.826 45.100 -1.360 0.000 0.811 159 G HN 0.235 nan 8.290 nan 0.000 0.519 160 I N -0.255 120.129 120.570 -0.311 0.000 2.607 160 I HA 0.594 4.764 4.170 -0.000 0.000 0.290 160 I C -0.684 175.434 176.117 0.001 0.000 1.129 160 I CA -0.949 60.329 61.300 -0.036 0.000 1.042 160 I CB 2.062 40.160 38.000 0.164 0.000 1.242 160 I HN 0.469 nan 8.210 nan 0.000 0.421 161 K N 6.611 127.018 120.400 0.011 0.000 2.263 161 K HA 0.221 4.541 4.320 -0.000 0.000 0.282 161 K C -0.643 176.023 176.600 0.110 0.000 1.089 161 K CA -0.334 55.947 56.287 -0.010 0.000 0.907 161 K CB 0.629 33.052 32.500 -0.129 0.000 1.148 161 K HN 0.459 nan 8.250 nan 0.000 0.470 162 E N 3.544 123.777 120.200 0.056 0.000 2.014 162 E HA 0.189 4.539 4.350 -0.000 0.000 0.275 162 E C -0.655 175.977 176.600 0.054 0.000 0.997 162 E CA -0.130 56.348 56.400 0.130 0.000 0.804 162 E CB 1.479 31.352 29.700 0.288 0.000 1.090 162 E HN 0.705 nan 8.360 nan 0.000 0.401 163 A N 3.058 125.950 122.820 0.121 0.000 2.545 163 A HA 0.056 4.376 4.320 -0.000 0.000 0.277 163 A C 1.519 179.141 177.584 0.063 0.000 1.301 163 A CA 0.149 52.240 52.037 0.090 0.000 0.935 163 A CB -0.229 18.899 19.000 0.213 0.000 1.093 163 A HN 0.514 nan 8.150 nan 0.000 0.519 164 T N -3.929 110.668 114.554 0.072 0.000 2.904 164 T HA 0.245 4.595 4.350 -0.000 0.000 0.267 164 T C 1.696 176.412 174.700 0.027 0.000 1.059 164 T CA 1.297 63.428 62.100 0.052 0.000 1.137 164 T CB -0.337 68.571 68.868 0.067 0.000 0.879 164 T HN 1.604 nan 8.240 nan 0.000 0.467 165 G N 1.619 110.440 108.800 0.036 0.000 2.159 165 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.256 165 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.256 165 G C 0.002 174.929 174.900 0.045 0.000 0.977 165 G CA 0.077 45.189 45.100 0.021 0.000 0.652 165 G HN 0.802 nan 8.290 nan 0.000 0.531 166 N N 0.572 119.313 118.700 0.068 0.000 2.527 166 N HA 0.476 5.216 4.740 -0.000 0.000 0.236 166 N C 1.487 177.040 175.510 0.071 0.000 0.999 166 N CA -0.597 52.485 53.050 0.053 0.000 0.935 166 N CB 0.609 39.121 38.487 0.042 0.000 1.132 166 N HN 0.172 nan 8.380 nan 0.000 0.511 167 L N 1.758 123.009 121.223 0.046 0.000 2.376 167 L HA -0.067 4.273 4.340 -0.000 0.000 0.219 167 L C 2.044 178.885 176.870 -0.048 0.000 1.133 167 L CA 1.006 55.856 54.840 0.017 0.000 0.816 167 L CB -0.447 41.609 42.059 -0.004 0.000 0.933 167 L HN 0.576 nan 8.230 nan 0.000 0.449 168 T N -3.487 111.050 114.554 -0.027 0.000 2.962 168 T HA -0.119 4.231 4.350 -0.000 0.000 0.270 168 T C 1.979 176.653 174.700 -0.043 0.000 1.088 168 T CA 0.387 62.463 62.100 -0.041 0.000 1.127 168 T CB -0.198 68.656 68.868 -0.024 0.000 0.883 168 T HN 0.186 nan 8.240 nan 0.000 0.493 169 R N 0.931 121.421 120.500 -0.017 0.000 2.152 169 R HA 0.072 4.412 4.340 -0.000 0.000 0.232 169 R C 2.431 178.702 176.300 -0.048 0.000 1.117 169 R CA 0.606 56.708 56.100 0.003 0.000 0.981 169 R CB -1.238 29.106 30.300 0.074 0.000 0.870 169 R HN 0.416 nan 8.270 nan 0.000 0.451 170 V N 1.982 121.792 119.914 -0.173 0.000 2.255 170 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 170 V C 1.916 177.906 176.094 -0.173 0.000 1.051 170 V CA 1.835 63.938 62.300 -0.328 0.000 1.018 170 V CB -0.414 31.034 31.823 -0.626 0.000 0.641 170 V HN 0.333 nan 8.190 nan 0.000 0.445 171 N N -0.652 117.965 118.700 -0.140 0.000 2.446 171 N HA -0.061 4.679 4.740 -0.000 0.000 0.179 171 N C 1.901 177.378 175.510 -0.055 0.000 1.054 171 N CA 0.596 53.592 53.050 -0.091 0.000 0.905 171 N CB 0.060 38.492 38.487 -0.090 0.000 0.973 171 N HN 0.607 nan 8.380 nan 0.000 0.448 172 Q N 0.446 120.218 119.800 -0.046 0.000 2.123 172 Q HA 0.046 4.386 4.340 -0.000 0.000 0.199 172 Q C 1.938 177.924 176.000 -0.023 0.000 0.966 172 Q CA 0.868 56.654 55.803 -0.029 0.000 0.845 172 Q CB 0.135 28.861 28.738 -0.019 0.000 0.907 172 Q HN 0.362 nan 8.270 nan 0.000 0.439 173 I N 0.591 121.155 120.570 -0.011 0.000 2.286 173 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 173 I C 2.431 178.541 176.117 -0.012 0.000 1.104 173 I CA 0.945 62.245 61.300 -0.000 0.000 1.397 173 I CB -0.168 37.874 38.000 0.069 0.000 1.072 173 I HN 0.091 nan 8.210 nan 0.000 0.417 174 K N 0.833 121.236 120.400 0.005 0.000 2.103 174 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 174 K C 2.034 178.630 176.600 -0.006 0.000 1.048 174 K CA 1.278 57.578 56.287 0.021 0.000 0.930 174 K CB 0.081 32.586 32.500 0.009 0.000 0.716 174 K HN 0.153 nan 8.250 nan 0.000 0.444 175 E N 0.526 120.713 120.200 -0.023 0.000 2.153 175 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 175 E C 1.729 178.306 176.600 -0.038 0.000 0.988 175 E CA 1.037 57.421 56.400 -0.027 0.000 0.811 175 E CB 0.069 29.752 29.700 -0.029 0.000 0.746 175 E HN 0.400 nan 8.360 nan 0.000 0.466 176 L N 0.014 121.202 121.223 -0.058 0.000 2.616 176 L HA 0.109 4.449 4.340 -0.000 0.000 0.229 176 L C 0.853 177.646 176.870 -0.129 0.000 1.110 176 L CA -0.215 54.576 54.840 -0.082 0.000 0.884 176 L CB 0.475 42.483 42.059 -0.086 0.000 1.115 176 L HN -0.137 nan 8.230 nan 0.000 0.481 177 V N -4.227 115.602 119.914 -0.141 0.000 3.113 177 V HA 0.689 4.809 4.120 -0.000 0.000 0.316 177 V C 0.353 176.408 176.094 -0.064 0.000 1.125 177 V CA -0.858 61.316 62.300 -0.209 0.000 1.026 177 V CB 1.579 33.117 31.823 -0.473 0.000 1.080 177 V HN 0.134 nan 8.190 nan 0.000 0.444 178 S N -0.230 115.456 115.700 -0.025 0.000 2.624 178 S HA 0.405 4.875 4.470 -0.000 0.000 0.263 178 S C 1.023 175.681 174.600 0.096 0.000 1.287 178 S CA 0.318 58.541 58.200 0.040 0.000 0.990 178 S CB 0.570 63.798 63.200 0.047 0.000 0.950 178 S HN 1.488 nan 8.310 nan 0.000 0.561 179 D N -0.792 119.657 120.400 0.083 0.000 2.378 179 D HA 0.103 4.743 4.640 -0.000 0.000 0.222 179 D C 1.427 177.779 176.300 0.088 0.000 0.980 179 D CA 1.311 55.371 54.000 0.101 0.000 0.907 179 D CB -1.338 39.508 40.800 0.078 0.000 0.899 179 D HN 0.876 nan 8.370 nan 0.000 0.527 180 D N -1.037 119.414 120.400 0.084 0.000 2.333 180 D HA 0.304 4.944 4.640 -0.000 0.000 0.208 180 D C 0.712 177.039 176.300 0.044 0.000 0.984 180 D CA -0.409 53.618 54.000 0.045 0.000 0.873 180 D CB -0.381 40.451 40.800 0.054 0.000 0.935 180 D HN 0.476 nan 8.370 nan 0.000 0.521 181 F N 1.208 121.132 119.950 -0.044 0.000 2.504 181 F HA 0.385 4.912 4.527 -0.000 0.000 0.369 181 F C 0.261 176.030 175.800 -0.052 0.000 1.082 181 F CA -0.621 57.353 58.000 -0.042 0.000 1.216 181 F CB 1.270 40.268 39.000 -0.003 0.000 1.108 181 F HN -0.047 nan 8.300 nan 0.000 0.554 182 V N 7.121 126.762 119.914 -0.455 0.000 2.465 182 V HA 0.236 4.356 4.120 -0.000 0.000 0.279 182 V C -0.364 175.700 176.094 -0.050 0.000 1.045 182 V CA -0.786 61.354 62.300 -0.267 0.000 0.938 182 V CB 1.200 32.859 31.823 -0.274 0.000 0.986 182 V HN 0.363 nan 8.190 nan 0.000 0.467 183 L N 6.626 128.089 121.223 0.400 0.000 2.298 183 L HA 0.595 4.935 4.340 -0.000 0.000 0.284 183 L C -0.346 176.796 176.870 0.452 0.000 1.013 183 L CA -0.267 54.824 54.840 0.419 0.000 0.824 183 L CB 1.011 43.318 42.059 0.413 0.000 1.221 183 L HN 0.464 nan 8.230 nan 0.000 0.418 184 L N 1.493 122.849 121.223 0.222 0.000 2.362 184 L HA 0.501 4.841 4.340 -0.000 0.000 0.275 184 L C 0.574 177.136 176.870 -0.514 0.000 0.998 184 L CA -0.505 54.312 54.840 -0.038 0.000 0.820 184 L CB 2.114 44.142 42.059 -0.052 0.000 1.270 184 L HN 0.562 nan 8.230 nan 0.000 0.415 185 S N 1.182 116.271 115.700 -1.019 0.000 2.562 185 S HA 0.287 4.757 4.470 -0.000 0.000 0.281 185 S C 0.892 175.223 174.600 -0.449 0.000 1.333 185 S CA 0.093 57.605 58.200 -1.147 0.000 1.052 185 S CB 0.844 63.513 63.200 -0.886 0.000 0.884 185 S HN 0.821 nan 8.310 nan 0.000 0.506 186 G N 2.494 111.114 108.800 -0.299 0.000 3.690 186 G HA2 0.261 4.221 3.960 -0.000 0.000 0.283 186 G HA3 0.261 4.221 3.960 -0.000 0.000 0.283 186 G C -0.524 174.339 174.900 -0.062 0.000 1.057 186 G CA -0.332 44.695 45.100 -0.121 0.000 0.821 186 G HN 0.709 nan 8.290 nan 0.000 0.526 187 D N -0.444 119.891 120.400 -0.110 0.000 2.336 187 D HA 0.205 4.845 4.640 -0.000 0.000 0.248 187 D C 0.695 176.957 176.300 -0.062 0.000 1.326 187 D CA -0.515 53.431 54.000 -0.090 0.000 0.973 187 D CB 0.953 41.694 40.800 -0.099 0.000 1.255 187 D HN -0.143 nan 8.370 nan 0.000 0.558 188 D N 2.421 122.844 120.400 0.038 0.000 2.149 188 D HA -0.223 4.417 4.640 -0.000 0.000 0.194 188 D C 1.759 177.995 176.300 -0.107 0.000 1.001 188 D CA 1.359 55.463 54.000 0.172 0.000 0.849 188 D CB 0.200 41.286 40.800 0.475 0.000 0.939 188 D HN 0.554 nan 8.370 nan 0.000 0.449 189 A N 0.574 123.292 122.820 -0.170 0.000 2.067 189 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 189 A C 2.150 179.570 177.584 -0.273 0.000 1.158 189 A CA 1.748 53.573 52.037 -0.353 0.000 0.661 189 A CB -0.070 18.845 19.000 -0.142 0.000 0.801 189 A HN 0.300 nan 8.150 nan 0.000 0.452 190 S N -1.940 113.670 115.700 -0.151 0.000 2.559 190 S HA 0.513 4.983 4.470 -0.000 0.000 0.226 190 S C 1.629 176.235 174.600 0.010 0.000 1.000 190 S CA 0.637 58.803 58.200 -0.057 0.000 0.948 190 S CB 0.143 63.340 63.200 -0.006 0.000 0.870 190 S HN 0.657 nan 8.310 nan 0.000 0.497 191 A N 2.016 124.816 122.820 -0.034 0.000 1.933 191 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 191 A C 2.068 179.725 177.584 0.122 0.000 1.175 191 A CA 1.424 53.475 52.037 0.024 0.000 0.628 191 A CB -0.714 18.278 19.000 -0.014 0.000 0.814 191 A HN 0.520 nan 8.150 nan 0.000 0.444 192 L N 0.157 121.429 121.223 0.081 0.000 2.056 192 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 192 L C 1.620 178.563 176.870 0.123 0.000 1.078 192 L CA 2.376 57.297 54.840 0.136 0.000 0.749 192 L CB -0.755 41.377 42.059 0.121 0.000 0.901 192 L HN 0.325 nan 8.230 nan 0.000 0.433 193 D N -0.752 119.686 120.400 0.063 0.000 2.116 193 D HA -0.282 4.358 4.640 -0.000 0.000 0.193 193 D C 2.080 178.404 176.300 0.040 0.000 0.998 193 D CA 1.709 55.716 54.000 0.013 0.000 0.836 193 D CB -0.433 40.369 40.800 0.002 0.000 0.951 193 D HN 0.409 nan 8.370 nan 0.000 0.449 194 F N 0.782 120.710 119.950 -0.035 0.000 2.095 194 F HA -0.208 4.319 4.527 0.000 0.000 0.298 194 F C 2.489 178.276 175.800 -0.021 0.000 1.104 194 F CA 1.445 59.430 58.000 -0.025 0.000 1.232 194 F CB -0.104 38.893 39.000 -0.006 0.000 0.987 194 F HN -0.133 nan 8.300 nan 0.000 0.475 195 M N -0.561 119.213 119.600 0.289 0.000 2.254 195 M HA -0.217 4.263 4.480 -0.000 0.000 0.265 195 M C 2.248 178.630 176.300 0.136 0.000 1.066 195 M CA 1.480 56.916 55.300 0.226 0.000 1.123 195 M CB -0.493 32.277 32.600 0.283 0.000 1.388 195 M HN 0.264 nan 8.290 nan 0.000 0.425 196 Q N 0.806 120.601 119.800 -0.009 0.000 2.226 196 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 196 Q C 1.668 177.467 176.000 -0.335 0.000 0.975 196 Q CA 1.057 56.567 55.803 -0.489 0.000 0.866 196 Q CB 0.022 28.279 28.738 -0.801 0.000 0.915 196 Q HN 0.508 nan 8.270 nan 0.000 0.440 197 L N -1.409 119.674 121.223 -0.234 0.000 2.554 197 L HA 0.118 4.458 4.340 -0.000 0.000 0.226 197 L C 1.167 177.909 176.870 -0.214 0.000 1.137 197 L CA 0.685 55.388 54.840 -0.228 0.000 0.863 197 L CB 0.392 42.295 42.059 -0.260 0.000 0.985 197 L HN 0.484 nan 8.230 nan 0.000 0.451 198 G N -1.209 107.476 108.800 -0.191 0.000 2.227 198 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.168 198 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.168 198 G C 0.547 175.237 174.900 -0.350 0.000 1.006 198 G CA -0.466 44.512 45.100 -0.203 0.000 0.684 198 G HN 0.429 nan 8.290 nan 0.000 0.489 199 G N -0.768 107.861 108.800 -0.285 0.000 2.554 199 G HA2 0.449 4.409 3.960 -0.000 0.000 0.238 199 G HA3 0.449 4.409 3.960 -0.000 0.000 0.238 199 G C 0.351 175.171 174.900 -0.135 0.000 1.259 199 G CA 0.256 45.294 45.100 -0.103 0.000 0.843 199 G HN 0.455 nan 8.290 nan 0.000 0.582 200 H N -0.245 118.962 119.070 0.228 0.000 2.622 200 H HA 0.398 4.954 4.556 -0.000 0.000 0.269 200 H C 1.328 176.735 175.328 0.132 0.000 0.977 200 H CA 0.667 56.806 56.048 0.152 0.000 1.179 200 H CB 1.000 30.831 29.762 0.115 0.000 1.458 200 H HN 0.841 nan 8.280 nan 0.000 0.531 201 G N -0.593 108.345 108.800 0.230 0.000 2.392 201 G HA2 0.330 4.290 3.960 -0.000 0.000 0.260 201 G HA3 0.330 4.290 3.960 -0.000 0.000 0.260 201 G C -1.848 173.080 174.900 0.047 0.000 1.226 201 G CA 0.034 45.213 45.100 0.132 0.000 0.913 201 G HN 0.144 nan 8.290 nan 0.000 0.483 202 V N 0.079 119.992 119.914 -0.001 0.000 2.891 202 V HA 0.662 4.782 4.120 -0.000 0.000 0.304 202 V C -1.250 174.807 176.094 -0.061 0.000 1.171 202 V CA -0.827 61.431 62.300 -0.070 0.000 0.943 202 V CB 1.681 33.482 31.823 -0.036 0.000 1.037 202 V HN 0.747 nan 8.190 nan 0.000 0.427 203 I N 5.617 126.127 120.570 -0.099 0.000 2.297 203 I HA 0.498 4.668 4.170 -0.000 0.000 0.291 203 I C 0.185 176.261 176.117 -0.069 0.000 1.033 203 I CA 0.149 61.390 61.300 -0.097 0.000 1.253 203 I CB 1.540 39.451 38.000 -0.148 0.000 1.396 203 I HN 0.646 nan 8.210 nan 0.000 0.476 204 S N 4.594 120.271 115.700 -0.039 0.000 2.513 204 S HA 0.466 4.936 4.470 -0.000 0.000 0.299 204 S C 0.588 175.204 174.600 0.026 0.000 1.087 204 S CA -0.674 57.536 58.200 0.016 0.000 1.012 204 S CB 1.972 65.187 63.200 0.026 0.000 1.044 204 S HN 0.344 nan 8.310 nan 0.000 0.485 205 V N 4.009 123.973 119.914 0.084 0.000 2.500 205 V HA -0.025 4.095 4.120 -0.000 0.000 0.243 205 V C 2.473 178.593 176.094 0.044 0.000 1.039 205 V CA 1.939 64.272 62.300 0.055 0.000 1.053 205 V CB -1.008 30.855 31.823 0.066 0.000 0.695 205 V HN 0.952 nan 8.190 nan 0.000 0.463 206 T N 1.044 115.637 114.554 0.066 0.000 2.849 206 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 206 T C 1.927 176.649 174.700 0.036 0.000 1.066 206 T CA 1.525 63.635 62.100 0.017 0.000 1.130 206 T CB -0.372 68.447 68.868 -0.081 0.000 0.864 206 T HN 0.535 nan 8.240 nan 0.000 0.481 207 A N 1.507 124.356 122.820 0.048 0.000 2.172 207 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 207 A C 2.055 179.753 177.584 0.188 0.000 1.154 207 A CA 1.236 53.316 52.037 0.073 0.000 0.701 207 A CB -0.715 18.288 19.000 0.005 0.000 0.789 207 A HN 0.522 nan 8.150 nan 0.000 0.465 208 N N -0.464 118.332 118.700 0.160 0.000 2.223 208 N HA -0.113 4.627 4.740 -0.000 0.000 0.185 208 N C 1.319 176.985 175.510 0.259 0.000 1.016 208 N CA 1.942 55.142 53.050 0.248 0.000 0.863 208 N CB 0.018 38.567 38.487 0.103 0.000 0.983 208 N HN 0.524 nan 8.380 nan 0.000 0.429 209 V N -5.274 114.739 119.914 0.165 0.000 3.502 209 V HA 0.618 4.738 4.120 -0.000 0.000 0.288 209 V C 0.357 176.540 176.094 0.148 0.000 1.461 209 V CA 0.145 62.495 62.300 0.082 0.000 1.029 209 V CB 0.485 32.311 31.823 0.005 0.000 0.843 209 V HN 0.066 nan 8.190 nan 0.000 0.438 210 A N 0.183 123.109 122.820 0.176 0.000 3.308 210 A HA 0.882 5.202 4.320 -0.000 0.000 0.275 210 A C 1.265 178.920 177.584 0.118 0.000 0.950 210 A CA 0.457 52.573 52.037 0.131 0.000 0.987 210 A CB 0.422 19.451 19.000 0.048 0.000 1.146 210 A HN 0.769 nan 8.150 nan 0.000 0.488 211 A N -0.084 122.833 122.820 0.162 0.000 1.968 211 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 211 A C 2.210 179.761 177.584 -0.053 0.000 1.169 211 A CA 1.735 53.782 52.037 0.018 0.000 0.638 211 A CB -0.343 18.555 19.000 -0.170 0.000 0.812 211 A HN 0.594 nan 8.150 nan 0.000 0.446 212 R N 0.015 120.480 120.500 -0.059 0.000 2.057 212 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 212 R C 1.814 178.107 176.300 -0.013 0.000 1.136 212 R CA 1.811 57.882 56.100 -0.050 0.000 0.952 212 R CB -1.367 28.911 30.300 -0.036 0.000 0.848 212 R HN 0.707 nan 8.270 nan 0.000 0.430 213 D N 0.128 120.535 120.400 0.011 0.000 2.116 213 D HA -0.148 4.492 4.640 -0.000 0.000 0.193 213 D C 2.002 178.317 176.300 0.025 0.000 0.998 213 D CA 1.757 55.770 54.000 0.021 0.000 0.836 213 D CB -0.212 40.607 40.800 0.032 0.000 0.951 213 D HN 0.263 nan 8.370 nan 0.000 0.449 214 M N 0.442 120.057 119.600 0.025 0.000 2.175 214 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 214 M C 2.305 178.618 176.300 0.023 0.000 1.063 214 M CA 0.728 56.049 55.300 0.034 0.000 1.119 214 M CB -1.005 31.613 32.600 0.031 0.000 1.377 214 M HN -0.044 nan 8.290 nan 0.000 0.415 215 A N -0.764 122.057 122.820 0.001 0.000 1.930 215 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 215 A C 2.165 179.745 177.584 -0.006 0.000 1.175 215 A CA 1.192 53.223 52.037 -0.011 0.000 0.627 215 A CB -0.492 18.489 19.000 -0.032 0.000 0.815 215 A HN 0.435 nan 8.150 nan 0.000 0.443 216 Q N -1.099 118.698 119.800 -0.005 0.000 2.187 216 Q HA -0.039 4.301 4.340 -0.000 0.000 0.199 216 Q C 2.031 178.033 176.000 0.004 0.000 0.957 216 Q CA 1.281 57.079 55.803 -0.008 0.000 0.857 216 Q CB -0.144 28.588 28.738 -0.011 0.000 0.929 216 Q HN 0.802 nan 8.270 nan 0.000 0.453 217 M N -0.788 118.827 119.600 0.025 0.000 2.132 217 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 217 M C 2.017 178.342 176.300 0.041 0.000 1.065 217 M CA 1.420 56.748 55.300 0.046 0.000 1.122 217 M CB -0.014 32.635 32.600 0.082 0.000 1.365 217 M HN 0.214 nan 8.290 nan 0.000 0.411 218 C N -0.129 119.195 119.300 0.041 0.000 2.446 218 C HA -0.078 4.382 4.460 -0.000 0.000 0.279 218 C C 2.895 177.895 174.990 0.018 0.000 1.366 218 C CA 1.116 60.161 59.018 0.044 0.000 1.763 218 C CB -1.048 26.721 27.740 0.049 0.000 1.929 218 C HN 0.639 nan 8.230 nan 0.000 0.509 219 K N 0.897 121.298 120.400 0.002 0.000 2.001 219 K HA -0.008 4.312 4.320 -0.000 0.000 0.208 219 K C 1.835 178.419 176.600 -0.027 0.000 1.048 219 K CA 1.264 57.545 56.287 -0.010 0.000 0.932 219 K CB -0.874 31.616 32.500 -0.017 0.000 0.715 219 K HN 0.659 nan 8.250 nan 0.000 0.437 220 L N 0.424 121.625 121.223 -0.037 0.000 2.043 220 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 220 L C 2.884 179.661 176.870 -0.155 0.000 1.075 220 L CA 1.800 56.609 54.840 -0.052 0.000 0.752 220 L CB -0.752 41.281 42.059 -0.044 0.000 0.891 220 L HN 0.484 nan 8.230 nan 0.000 0.432 221 A N -0.044 122.676 122.820 -0.167 0.000 1.883 221 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 221 A C 2.459 179.840 177.584 -0.337 0.000 1.186 221 A CA 1.911 53.754 52.037 -0.325 0.000 0.624 221 A CB -0.796 18.217 19.000 0.021 0.000 0.822 221 A HN 0.425 nan 8.150 nan 0.000 0.444 222 A N -0.786 121.969 122.820 -0.108 0.000 2.119 222 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 222 A C 1.742 179.287 177.584 -0.065 0.000 1.153 222 A CA 1.399 53.413 52.037 -0.037 0.000 0.692 222 A CB -0.348 18.667 19.000 0.024 0.000 0.799 222 A HN 0.650 nan 8.150 nan 0.000 0.458 223 E N -1.856 118.284 120.200 -0.099 0.000 2.474 223 E HA 0.266 4.616 4.350 -0.000 0.000 0.194 223 E C 1.156 177.632 176.600 -0.207 0.000 1.041 223 E CA 0.315 56.684 56.400 -0.051 0.000 0.874 223 E CB 0.106 29.881 29.700 0.125 0.000 0.914 223 E HN 0.682 nan 8.360 nan 0.000 0.498 224 G N 1.498 110.049 108.800 -0.415 0.000 2.175 224 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 224 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 224 G C 0.021 174.579 174.900 -0.570 0.000 0.982 224 G CA -0.220 44.562 45.100 -0.529 0.000 0.641 224 G HN 0.396 nan 8.290 nan 0.000 0.527 225 H N 0.294 119.126 119.070 -0.397 0.000 2.998 225 H HA 0.368 4.924 4.556 -0.000 0.000 0.241 225 H C 1.101 176.302 175.328 -0.212 0.000 1.852 225 H CA -0.150 55.776 56.048 -0.204 0.000 1.419 225 H CB -0.429 29.258 29.762 -0.125 0.000 1.793 225 H HN 0.372 nan 8.280 nan 0.000 0.553 226 F N 0.836 120.834 119.950 0.079 0.000 2.293 226 F HA -0.076 4.451 4.527 -0.000 0.000 0.297 226 F C 2.583 178.420 175.800 0.062 0.000 1.089 226 F CA 0.700 58.736 58.000 0.060 0.000 1.377 226 F CB 0.076 39.093 39.000 0.029 0.000 1.051 226 F HN 0.475 nan 8.300 nan 0.000 0.511 227 A N -0.165 122.788 122.820 0.222 0.000 1.902 227 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 227 A C 2.131 179.783 177.584 0.114 0.000 1.181 227 A CA 1.882 54.006 52.037 0.146 0.000 0.623 227 A CB -0.703 18.366 19.000 0.115 0.000 0.818 227 A HN 0.408 nan 8.150 nan 0.000 0.443 228 E N -0.582 119.680 120.200 0.104 0.000 2.107 228 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 228 E C 2.281 178.918 176.600 0.061 0.000 0.982 228 E CA 0.698 57.136 56.400 0.063 0.000 0.809 228 E CB -0.194 29.520 29.700 0.024 0.000 0.756 228 E HN 0.584 nan 8.360 nan 0.000 0.459 229 A N 1.487 124.352 122.820 0.076 0.000 1.940 229 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 229 A C 2.035 179.686 177.584 0.111 0.000 1.176 229 A CA 1.177 53.266 52.037 0.086 0.000 0.631 229 A CB -0.402 18.659 19.000 0.100 0.000 0.814 229 A HN 0.114 nan 8.150 nan 0.000 0.446 230 R N -0.617 119.957 120.500 0.123 0.000 2.092 230 R HA -0.075 4.265 4.340 -0.000 0.000 0.231 230 R C 2.044 178.403 176.300 0.099 0.000 1.119 230 R CA 1.372 57.539 56.100 0.113 0.000 0.970 230 R CB -0.777 29.585 30.300 0.104 0.000 0.864 230 R HN 0.444 nan 8.270 nan 0.000 0.440 231 V N 1.686 121.651 119.914 0.085 0.000 2.332 231 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 231 V C 2.342 178.488 176.094 0.086 0.000 1.055 231 V CA 1.732 64.078 62.300 0.076 0.000 1.038 231 V CB -0.403 31.454 31.823 0.056 0.000 0.651 231 V HN 0.240 nan 8.190 nan 0.000 0.450 232 I N -0.007 120.613 120.570 0.084 0.000 2.252 232 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 232 I C 2.486 178.678 176.117 0.126 0.000 1.102 232 I CA 1.669 63.022 61.300 0.089 0.000 1.385 232 I CB -0.602 37.442 38.000 0.073 0.000 1.064 232 I HN 0.393 nan 8.210 nan 0.000 0.414 233 N N 0.844 119.633 118.700 0.147 0.000 2.104 233 N HA -0.252 4.488 4.740 -0.000 0.000 0.190 233 N C 1.898 177.526 175.510 0.197 0.000 1.024 233 N CA 1.593 54.766 53.050 0.206 0.000 0.853 233 N CB 0.053 38.635 38.487 0.158 0.000 1.008 233 N HN 0.461 nan 8.380 nan 0.000 0.424 234 Q N 0.282 120.170 119.800 0.148 0.000 2.124 234 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 234 Q C 2.145 178.263 176.000 0.196 0.000 0.977 234 Q CA 1.102 56.992 55.803 0.145 0.000 0.850 234 Q CB -0.115 28.702 28.738 0.131 0.000 0.901 234 Q HN 0.285 nan 8.270 nan 0.000 0.429 235 R N 0.073 120.694 120.500 0.202 0.000 2.092 235 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 235 R C 1.225 177.656 176.300 0.219 0.000 1.119 235 R CA 0.946 57.200 56.100 0.256 0.000 0.970 235 R CB 0.083 30.471 30.300 0.146 0.000 0.864 235 R HN 0.160 nan 8.270 nan 0.000 0.440 236 L N -0.087 121.215 121.223 0.130 0.000 2.558 236 L HA 0.079 4.419 4.340 -0.000 0.000 0.225 236 L C 1.804 178.696 176.870 0.035 0.000 1.128 236 L CA 0.761 55.604 54.840 0.005 0.000 0.868 236 L CB -0.158 41.830 42.059 -0.117 0.000 1.006 236 L HN 0.217 nan 8.230 nan 0.000 0.454 237 M N 0.610 120.326 119.600 0.193 0.000 2.099 237 M HA -0.036 4.444 4.480 -0.000 0.000 0.262 237 M C -0.687 175.667 176.300 0.091 0.000 1.067 237 M CA 1.950 57.407 55.300 0.262 0.000 1.124 237 M CB -1.250 31.424 32.600 0.124 0.000 1.353 237 M HN -0.034 nan 8.290 nan 0.000 0.410 238 P HA -0.183 nan 4.420 nan 0.000 0.216 238 P C 1.642 178.953 177.300 0.019 0.000 1.154 238 P CA 1.142 64.198 63.100 -0.074 0.000 0.865 238 P CB -0.187 31.386 31.700 -0.212 0.000 0.789 239 L N -1.347 119.883 121.223 0.011 0.000 2.027 239 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 239 L C 2.412 179.327 176.870 0.076 0.000 1.074 239 L CA 1.889 56.741 54.840 0.020 0.000 0.745 239 L CB -1.683 40.354 42.059 -0.038 0.000 0.898 239 L HN 0.116 nan 8.230 nan 0.000 0.433 240 H N -0.414 118.711 119.070 0.093 0.000 2.357 240 H HA -0.187 4.369 4.556 -0.000 0.000 0.296 240 H C 1.947 177.375 175.328 0.166 0.000 1.108 240 H CA 2.108 58.230 56.048 0.123 0.000 1.273 240 H CB -0.227 29.575 29.762 0.067 0.000 1.367 240 H HN 0.535 nan 8.280 nan 0.000 0.498 241 N N -0.251 118.594 118.700 0.242 0.000 2.349 241 N HA -0.061 4.679 4.740 -0.000 0.000 0.180 241 N C 1.654 177.288 175.510 0.206 0.000 1.024 241 N CA 0.154 53.311 53.050 0.179 0.000 0.869 241 N CB 0.328 38.870 38.487 0.093 0.000 1.022 241 N HN -0.017 nan 8.380 nan 0.000 0.433 242 K N 1.028 121.514 120.400 0.145 0.000 2.432 242 K HA 0.125 4.445 4.320 -0.000 0.000 0.196 242 K C 1.345 178.002 176.600 0.094 0.000 1.038 242 K CA 0.286 56.634 56.287 0.102 0.000 0.986 242 K CB -0.128 32.407 32.500 0.057 0.000 0.782 242 K HN 0.284 nan 8.250 nan 0.000 0.485 243 L N -0.409 120.884 121.223 0.117 0.000 2.552 243 L HA 0.019 4.359 4.340 -0.000 0.000 0.227 243 L C 0.558 177.297 176.870 -0.218 0.000 1.146 243 L CA 0.538 55.361 54.840 -0.027 0.000 0.858 243 L CB -0.134 41.891 42.059 -0.057 0.000 0.969 243 L HN -0.001 nan 8.230 nan 0.000 0.451 244 F N -2.639 117.333 119.950 0.037 0.000 2.668 244 F HA 0.120 4.647 4.527 0.000 0.000 0.301 244 F C 1.557 177.368 175.800 0.018 0.000 1.106 244 F CA -0.079 57.940 58.000 0.030 0.000 1.289 244 F CB -0.022 38.999 39.000 0.035 0.000 1.006 244 F HN -0.272 nan 8.300 nan 0.000 0.535 245 V N -0.098 119.890 119.914 0.124 0.000 2.407 245 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 245 V C 0.876 176.993 176.094 0.039 0.000 1.055 245 V CA 1.910 64.249 62.300 0.066 0.000 1.049 245 V CB -0.054 31.782 31.823 0.021 0.000 0.662 245 V HN 0.271 nan 8.190 nan 0.000 0.455 246 E N -0.647 119.563 120.200 0.018 0.000 2.320 246 E HA 0.407 4.757 4.350 -0.000 0.000 0.264 246 E C -2.699 173.907 176.600 0.010 0.000 0.923 246 E CA -2.476 53.927 56.400 0.006 0.000 0.796 246 E CB 1.754 31.439 29.700 -0.025 0.000 1.262 246 E HN 0.108 nan 8.360 nan 0.000 0.428 247 P HA -0.086 nan 4.420 nan 0.000 0.263 247 P C -0.727 176.551 177.300 -0.036 0.000 1.195 247 P CA 0.236 63.353 63.100 0.028 0.000 0.762 247 P CB 0.276 31.995 31.700 0.032 0.000 0.799 248 N N 4.738 123.386 118.700 -0.086 0.000 2.458 248 N HA 0.008 4.748 4.740 -0.000 0.000 0.258 248 N C -1.598 173.865 175.510 -0.078 0.000 1.219 248 N CA -0.978 51.952 53.050 -0.201 0.000 0.902 248 N CB 0.500 38.766 38.487 -0.368 0.000 1.076 248 N HN 0.268 nan 8.380 nan 0.000 0.455 249 P HA 0.188 nan 4.420 nan 0.000 0.248 249 P C 0.912 178.176 177.300 -0.061 0.000 1.708 249 P CA -0.049 62.992 63.100 -0.098 0.000 1.062 249 P CB 0.024 31.687 31.700 -0.062 0.000 1.562 250 I N 1.173 121.714 120.570 -0.050 0.000 2.127 250 I HA -0.150 4.020 4.170 -0.000 0.000 0.241 250 I C -0.559 175.570 176.117 0.020 0.000 1.075 250 I CA 1.636 62.930 61.300 -0.010 0.000 1.334 250 I CB -1.966 36.026 38.000 -0.014 0.000 1.040 250 I HN 0.074 nan 8.210 nan 0.000 0.405 251 P HA -0.134 nan 4.420 nan 0.000 0.217 251 P C 1.969 179.323 177.300 0.090 0.000 1.150 251 P CA 1.070 64.190 63.100 0.034 0.000 0.832 251 P CB 0.054 31.733 31.700 -0.035 0.000 0.787 252 V N -0.301 119.609 119.914 -0.006 0.000 2.548 252 V HA -0.161 3.959 4.120 -0.000 0.000 0.249 252 V C 2.048 178.149 176.094 0.012 0.000 1.055 252 V CA 1.778 64.075 62.300 -0.005 0.000 1.065 252 V CB -0.765 31.019 31.823 -0.065 0.000 0.681 252 V HN 0.026 nan 8.190 nan 0.000 0.462 253 K N -1.307 119.107 120.400 0.024 0.000 2.062 253 K HA -0.205 4.115 4.320 -0.000 0.000 0.205 253 K C 1.832 178.450 176.600 0.030 0.000 1.051 253 K CA 1.843 58.138 56.287 0.013 0.000 0.941 253 K CB -0.325 32.185 32.500 0.017 0.000 0.719 253 K HN 0.673 nan 8.250 nan 0.000 0.440 254 W N 1.569 122.838 121.300 -0.051 0.000 2.358 254 W HA -0.221 4.439 4.660 -0.000 0.000 0.303 254 W C 2.040 178.532 176.519 -0.046 0.000 1.208 254 W CA 2.086 59.405 57.345 -0.044 0.000 1.274 254 W CB -0.208 29.229 29.460 -0.038 0.000 1.138 254 W HN 0.063 nan 8.180 nan 0.000 0.515 255 A N -0.608 122.224 122.820 0.020 0.000 1.898 255 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 255 A C 1.991 179.401 177.584 -0.289 0.000 1.181 255 A CA 1.772 53.720 52.037 -0.149 0.000 0.620 255 A CB -1.485 17.550 19.000 0.059 0.000 0.819 255 A HN 0.390 nan 8.150 nan 0.000 0.442 256 C N -0.588 118.592 119.300 -0.199 0.000 2.413 256 C HA -0.112 4.348 4.460 -0.000 0.000 0.276 256 C C 2.735 177.558 174.990 -0.278 0.000 1.236 256 C CA 1.528 60.417 59.018 -0.214 0.000 1.735 256 C CB -0.998 26.657 27.740 -0.143 0.000 2.031 256 C HN 0.761 nan 8.230 nan 0.000 0.474 257 K N 0.903 121.110 120.400 -0.322 0.000 2.057 257 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 257 K C 1.923 178.265 176.600 -0.430 0.000 1.049 257 K CA 1.841 57.925 56.287 -0.338 0.000 0.931 257 K CB -0.211 32.094 32.500 -0.324 0.000 0.714 257 K HN 0.331 nan 8.250 nan 0.000 0.440 258 E N 0.283 120.082 120.200 -0.670 0.000 2.150 258 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 258 E C 1.260 177.642 176.600 -0.363 0.000 0.985 258 E CA 0.859 56.876 56.400 -0.638 0.000 0.814 258 E CB 0.043 29.123 29.700 -1.033 0.000 0.752 258 E HN 0.238 nan 8.360 nan 0.000 0.466 259 L N -0.889 120.140 121.223 -0.322 0.000 2.591 259 L HA 0.300 4.640 4.340 -0.000 0.000 0.228 259 L C 1.516 178.254 176.870 -0.220 0.000 1.133 259 L CA 0.995 55.692 54.840 -0.238 0.000 0.880 259 L CB -0.087 41.830 42.059 -0.237 0.000 1.033 259 L HN 0.306 nan 8.230 nan 0.000 0.450 260 G N -0.892 107.775 108.800 -0.221 0.000 2.148 260 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.254 260 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.254 260 G C 1.112 175.899 174.900 -0.189 0.000 0.981 260 G CA 0.663 45.655 45.100 -0.180 0.000 0.670 260 G HN 0.386 nan 8.290 nan 0.000 0.528 261 L N -0.434 120.646 121.223 -0.237 0.000 2.179 261 L HA 0.275 4.615 4.340 -0.000 0.000 0.208 261 L C 1.615 178.378 176.870 -0.179 0.000 1.096 261 L CA 1.384 56.070 54.840 -0.257 0.000 0.779 261 L CB -0.082 41.753 42.059 -0.373 0.000 0.922 261 L HN 0.516 nan 8.230 nan 0.000 0.443 262 V N -5.363 114.456 119.914 -0.159 0.000 3.001 262 V HA 0.719 4.839 4.120 -0.000 0.000 0.314 262 V C 0.644 176.674 176.094 -0.107 0.000 1.099 262 V CA -0.354 61.877 62.300 -0.114 0.000 0.989 262 V CB 1.575 33.340 31.823 -0.097 0.000 1.040 262 V HN -0.063 nan 8.190 nan 0.000 0.434 263 A N 2.156 124.930 122.820 -0.077 0.000 1.874 263 A HA 0.313 4.633 4.320 -0.000 0.000 0.214 263 A C 1.359 178.906 177.584 -0.062 0.000 1.189 263 A CA 1.652 53.649 52.037 -0.066 0.000 0.615 263 A CB -0.503 18.470 19.000 -0.046 0.000 0.830 263 A HN 1.696 nan 8.150 nan 0.000 0.443 264 T N -2.103 112.420 114.554 -0.051 0.000 2.907 264 T HA 0.456 4.806 4.350 -0.000 0.000 0.292 264 T C -0.610 174.070 174.700 -0.035 0.000 1.043 264 T CA 0.026 62.104 62.100 -0.037 0.000 1.003 264 T CB 1.877 70.735 68.868 -0.017 0.000 1.084 264 T HN 0.197 nan 8.240 nan 0.000 0.483 265 D N 0.821 121.213 120.400 -0.014 0.000 2.395 265 D HA 0.136 4.776 4.640 -0.000 0.000 0.226 265 D C 0.215 176.533 176.300 0.029 0.000 1.146 265 D CA -0.311 53.697 54.000 0.013 0.000 0.830 265 D CB -0.607 40.233 40.800 0.068 0.000 0.958 265 D HN 0.500 nan 8.370 nan 0.000 0.501 266 T N 0.851 115.413 114.554 0.014 0.000 2.940 266 T HA 0.333 4.683 4.350 -0.000 0.000 0.309 266 T C 0.288 174.994 174.700 0.010 0.000 1.056 266 T CA 0.038 62.147 62.100 0.014 0.000 1.137 266 T CB 0.715 69.587 68.868 0.007 0.000 0.976 266 T HN 0.078 nan 8.240 nan 0.000 0.547 267 L N 2.137 123.367 121.223 0.010 0.000 2.283 267 L HA 0.601 4.941 4.340 -0.000 0.000 0.259 267 L C 0.391 177.263 176.870 0.003 0.000 1.027 267 L CA -1.111 53.732 54.840 0.005 0.000 0.828 267 L CB 1.392 43.454 42.059 0.005 0.000 1.380 267 L HN 0.398 nan 8.230 nan 0.000 0.425 268 R N 0.721 121.221 120.500 -0.000 0.000 2.312 268 R HA 0.540 4.880 4.340 -0.000 0.000 0.311 268 R C -0.950 175.348 176.300 -0.002 0.000 1.004 268 R CA -0.772 55.328 56.100 -0.001 0.000 0.902 268 R CB 0.810 31.109 30.300 -0.002 0.000 1.073 268 R HN 0.430 nan 8.270 nan 0.000 0.457 269 L N 4.868 126.090 121.223 -0.002 0.000 2.573 269 L HA -0.030 4.310 4.340 -0.000 0.000 0.290 269 L C -0.925 175.941 176.870 -0.006 0.000 1.247 269 L CA -0.680 54.158 54.840 -0.003 0.000 0.876 269 L CB 0.254 42.311 42.059 -0.003 0.000 1.123 269 L HN 0.505 nan 8.230 nan 0.000 0.505 270 P HA 0.036 nan 4.420 nan 0.000 0.253 270 P C -0.001 177.298 177.300 -0.001 0.000 1.260 270 P CA 0.196 63.295 63.100 -0.003 0.000 0.800 270 P CB 0.358 32.056 31.700 -0.002 0.000 1.162 271 M N 1.054 120.653 119.600 -0.002 0.000 2.228 271 M HA 0.154 4.634 4.480 -0.000 0.000 0.351 271 M C 0.759 177.060 176.300 -0.000 0.000 1.233 271 M CA 0.628 55.927 55.300 -0.001 0.000 1.129 271 M CB 0.213 32.812 32.600 -0.003 0.000 1.604 271 M HN -0.043 nan 8.290 nan 0.000 0.457 272 T N 1.197 115.750 114.554 -0.001 0.000 2.932 272 T HA 0.713 5.063 4.350 -0.000 0.000 0.289 272 T C -2.666 172.034 174.700 0.001 0.000 1.039 272 T CA -2.076 60.024 62.100 -0.001 0.000 1.024 272 T CB 1.217 70.083 68.868 -0.004 0.000 1.090 272 T HN 0.313 nan 8.240 nan 0.000 0.496 273 P HA 0.166 nan 4.420 nan 0.000 0.266 273 P C 0.211 177.502 177.300 -0.015 0.000 1.195 273 P CA -0.491 62.614 63.100 0.009 0.000 0.768 273 P CB 0.242 31.950 31.700 0.013 0.000 0.838 274 I N 2.132 122.687 120.570 -0.024 0.000 2.880 274 I HA -0.055 4.115 4.170 -0.000 0.000 0.296 274 I C 0.862 176.907 176.117 -0.121 0.000 1.220 274 I CA 0.450 61.693 61.300 -0.096 0.000 1.435 274 I CB 0.500 38.390 38.000 -0.183 0.000 1.339 274 I HN 0.448 nan 8.210 nan 0.000 0.583 275 T N 2.165 116.644 114.554 -0.126 0.000 2.868 275 T HA 0.134 4.484 4.350 -0.000 0.000 0.292 275 T C 0.871 175.474 174.700 -0.162 0.000 1.028 275 T CA -0.625 61.408 62.100 -0.112 0.000 1.059 275 T CB 1.039 69.857 68.868 -0.082 0.000 0.991 275 T HN 0.601 nan 8.240 nan 0.000 0.531 276 D N 0.803 121.129 120.400 -0.123 0.000 2.116 276 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 276 D C 2.230 178.438 176.300 -0.154 0.000 0.998 276 D CA 1.860 55.780 54.000 -0.132 0.000 0.836 276 D CB -0.652 40.102 40.800 -0.078 0.000 0.951 276 D HN 0.659 nan 8.370 nan 0.000 0.449 277 S N -0.212 115.417 115.700 -0.118 0.000 2.399 277 S HA -0.074 4.396 4.470 -0.000 0.000 0.231 277 S C 2.111 176.626 174.600 -0.141 0.000 1.022 277 S CA 1.697 59.834 58.200 -0.106 0.000 0.983 277 S CB -0.467 62.691 63.200 -0.070 0.000 0.803 277 S HN 0.295 nan 8.310 nan 0.000 0.480 278 G N 1.383 110.078 108.800 -0.175 0.000 2.418 278 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 278 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 278 G C 1.644 176.318 174.900 -0.376 0.000 1.158 278 G CA 0.514 45.483 45.100 -0.217 0.000 0.771 278 G HN 0.534 nan 8.290 nan 0.000 0.545 279 R N 0.054 120.213 120.500 -0.569 0.000 2.080 279 R HA -0.081 4.259 4.340 -0.000 0.000 0.236 279 R C 2.543 178.512 176.300 -0.552 0.000 1.137 279 R CA 1.436 56.936 56.100 -1.000 0.000 0.943 279 R CB -0.235 29.537 30.300 -0.879 0.000 0.846 279 R HN 0.200 nan 8.270 nan 0.000 0.431 280 E N -0.075 119.956 120.200 -0.281 0.000 2.110 280 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 280 E C 2.036 178.586 176.600 -0.083 0.000 0.988 280 E CA 1.470 57.795 56.400 -0.125 0.000 0.804 280 E CB -0.427 29.225 29.700 -0.079 0.000 0.745 280 E HN 0.286 nan 8.360 nan 0.000 0.458 281 T N 0.590 115.081 114.554 -0.105 0.000 2.821 281 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 281 T C 2.022 176.709 174.700 -0.021 0.000 1.046 281 T CA 1.103 63.172 62.100 -0.052 0.000 1.139 281 T CB -0.041 68.794 68.868 -0.055 0.000 0.871 281 T HN -0.026 nan 8.240 nan 0.000 0.454 282 V N 0.972 120.853 119.914 -0.054 0.000 2.446 282 V HA -0.015 4.105 4.120 -0.000 0.000 0.244 282 V C 2.541 178.745 176.094 0.184 0.000 1.039 282 V CA 1.244 63.581 62.300 0.062 0.000 1.045 282 V CB -0.537 31.340 31.823 0.090 0.000 0.681 282 V HN 0.306 nan 8.190 nan 0.000 0.459 283 R N 0.541 121.168 120.500 0.210 0.000 2.113 283 R HA -0.270 4.070 4.340 -0.000 0.000 0.244 283 R C 2.245 178.635 176.300 0.151 0.000 1.142 283 R CA 2.113 58.372 56.100 0.266 0.000 0.953 283 R CB -0.483 29.958 30.300 0.234 0.000 0.860 283 R HN 0.504 nan 8.270 nan 0.000 0.438 284 A N 0.209 123.089 122.820 0.099 0.000 1.898 284 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 284 A C 2.324 179.978 177.584 0.116 0.000 1.181 284 A CA 1.578 53.670 52.037 0.091 0.000 0.620 284 A CB -0.708 18.331 19.000 0.064 0.000 0.819 284 A HN 0.553 nan 8.150 nan 0.000 0.442 285 A N -0.276 122.604 122.820 0.100 0.000 1.933 285 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 285 A C 2.150 179.807 177.584 0.122 0.000 1.175 285 A CA 1.441 53.536 52.037 0.097 0.000 0.628 285 A CB -0.563 18.474 19.000 0.062 0.000 0.814 285 A HN 0.469 nan 8.150 nan 0.000 0.444 286 L N -0.807 120.487 121.223 0.119 0.000 2.056 286 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 286 L C 2.817 179.743 176.870 0.093 0.000 1.078 286 L CA 1.670 56.569 54.840 0.098 0.000 0.749 286 L CB -0.537 41.579 42.059 0.095 0.000 0.901 286 L HN 0.304 nan 8.230 nan 0.000 0.433 287 K N -1.304 119.156 120.400 0.100 0.000 2.032 287 K HA -0.246 4.074 4.320 -0.000 0.000 0.209 287 K C 2.255 178.905 176.600 0.083 0.000 1.048 287 K CA 1.464 57.798 56.287 0.078 0.000 0.927 287 K CB -0.730 31.814 32.500 0.074 0.000 0.712 287 K HN 0.484 nan 8.250 nan 0.000 0.441 288 H N -0.431 118.661 119.070 0.036 0.000 2.387 288 H HA 0.029 4.585 4.556 -0.000 0.000 0.299 288 H C 1.804 177.151 175.328 0.031 0.000 1.099 288 H CA 1.771 57.840 56.048 0.034 0.000 1.315 288 H CB -0.188 29.598 29.762 0.040 0.000 1.380 288 H HN 0.353 nan 8.280 nan 0.000 0.513 289 A N -0.350 122.585 122.820 0.193 0.000 2.169 289 A HA 0.214 4.534 4.320 -0.000 0.000 0.212 289 A C 1.711 179.333 177.584 0.063 0.000 1.153 289 A CA 1.007 53.121 52.037 0.129 0.000 0.756 289 A CB -0.389 18.666 19.000 0.092 0.000 0.813 289 A HN 0.597 nan 8.150 nan 0.000 0.471 290 G N -1.274 107.551 108.800 0.041 0.000 2.204 290 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.244 290 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.244 290 G C 0.415 175.328 174.900 0.020 0.000 1.062 290 G CA 0.466 45.576 45.100 0.018 0.000 0.798 290 G HN 0.492 nan 8.290 nan 0.000 0.496 291 L N -1.746 119.492 121.223 0.025 0.000 2.685 291 L HA 0.415 4.755 4.340 -0.000 0.000 0.235 291 L C 1.797 178.666 176.870 -0.002 0.000 1.070 291 L CA -0.007 54.841 54.840 0.014 0.000 0.888 291 L CB 0.113 42.183 42.059 0.018 0.000 1.203 291 L HN 0.300 nan 8.230 nan 0.000 0.499 292 L N 0.000 121.228 121.223 0.008 0.000 2.949 292 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 292 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 292 L CB 0.000 42.075 42.059 0.026 0.000 0.961 292 L HN 0.000 nan 8.230 nan 0.000 0.502