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 1yxd_1_B DATA FIRST_RESID 1 DATA SEQUENCE MFTGSIVAIV TPMDEKGNVC RASLKKLIDY HVASGTSAIV SVGTTGESAT DATA SEQUENCE LNHDEHADVV MMTLDLADGR IPVIAGTGAN ATAEAISLTQ RFNDSGIVGC DATA SEQUENCE LTVTPYYNRP 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 0.000 175.771 176.300 -0.881 0.000 1.140 1 M CA 0.000 54.845 55.300 -0.759 0.000 0.988 1 M CB 0.000 32.391 32.600 -0.348 0.000 1.302 2 F N 1.993 121.905 119.950 -0.062 0.000 2.814 2 F HA 0.378 4.905 4.527 0.000 0.000 0.326 2 F C 0.499 176.267 175.800 -0.053 0.000 1.159 2 F CA -0.222 57.733 58.000 -0.074 0.000 1.234 2 F CB 0.630 39.566 39.000 -0.106 0.000 1.016 2 F HN 0.531 nan 8.300 nan 0.000 0.510 3 T N -2.989 111.595 114.554 0.051 0.000 2.864 3 T HA 0.848 5.198 4.350 -0.000 0.000 0.289 3 T C 0.445 175.168 174.700 0.038 0.000 1.082 3 T CA -0.381 61.763 62.100 0.073 0.000 1.009 3 T CB 1.781 70.690 68.868 0.068 0.000 1.234 3 T HN 0.662 nan 8.240 nan 0.000 0.526 4 G N 0.809 109.644 108.800 0.058 0.000 2.553 4 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.242 4 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.242 4 G C 0.048 174.962 174.900 0.024 0.000 1.277 4 G CA -0.104 45.018 45.100 0.037 0.000 0.910 4 G HN 1.608 nan 8.290 nan 0.000 0.576 5 S N 0.078 115.785 115.700 0.013 0.000 2.416 5 S HA 0.590 5.060 4.470 -0.000 0.000 0.287 5 S C 0.341 174.930 174.600 -0.019 0.000 1.139 5 S CA -0.480 57.724 58.200 0.007 0.000 1.058 5 S CB -0.511 62.704 63.200 0.024 0.000 0.967 5 S HN 0.608 nan 8.310 nan 0.000 0.495 6 I N 5.088 125.638 120.570 -0.034 0.000 2.378 6 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 6 I C -0.065 176.001 176.117 -0.084 0.000 0.992 6 I CA -0.867 60.395 61.300 -0.064 0.000 1.154 6 I CB 1.870 39.840 38.000 -0.051 0.000 1.315 6 I HN 0.292 nan 8.210 nan 0.000 0.448 7 V N 6.873 126.700 119.914 -0.145 0.000 2.461 7 V HA 0.441 4.561 4.120 -0.000 0.000 0.275 7 V C 0.716 176.729 176.094 -0.136 0.000 1.047 7 V CA -0.355 61.845 62.300 -0.167 0.000 0.955 7 V CB 1.338 32.922 31.823 -0.398 0.000 0.988 7 V HN 0.847 nan 8.190 nan 0.000 0.471 8 A N 8.037 130.810 122.820 -0.078 0.000 2.906 8 A HA 0.345 4.665 4.320 -0.000 0.000 0.289 8 A C 0.181 177.739 177.584 -0.044 0.000 1.675 8 A CA -0.085 51.917 52.037 -0.059 0.000 1.372 8 A CB -0.610 18.372 19.000 -0.029 0.000 1.091 8 A HN 0.892 nan 8.150 nan 0.000 0.579 9 I N 3.166 123.696 120.570 -0.068 0.000 2.634 9 I HA 0.164 4.334 4.170 -0.000 0.000 0.284 9 I C 0.727 176.834 176.117 -0.018 0.000 1.124 9 I CA -0.295 60.979 61.300 -0.043 0.000 1.417 9 I CB 1.239 39.200 38.000 -0.066 0.000 1.396 9 I HN 0.544 nan 8.210 nan 0.000 0.571 10 V N 3.734 123.650 119.914 0.004 0.000 2.963 10 V HA 0.151 4.271 4.120 -0.000 0.000 0.306 10 V C 0.267 176.355 176.094 -0.010 0.000 1.077 10 V CA -0.286 62.011 62.300 -0.004 0.000 1.124 10 V CB 0.742 32.564 31.823 -0.001 0.000 0.987 10 V HN 0.767 nan 8.190 nan 0.000 0.487 11 T N 6.403 120.946 114.554 -0.019 0.000 2.891 11 T HA 0.380 4.730 4.350 -0.000 0.000 0.315 11 T C -2.421 172.272 174.700 -0.013 0.000 1.054 11 T CA -0.693 61.396 62.100 -0.019 0.000 0.958 11 T CB 0.527 69.376 68.868 -0.032 0.000 1.008 11 T HN 0.805 nan 8.240 nan 0.000 0.521 12 P HA 0.293 nan 4.420 nan 0.000 0.271 12 P C -0.639 176.656 177.300 -0.008 0.000 1.216 12 P CA -0.244 62.849 63.100 -0.011 0.000 0.771 12 P CB 0.620 32.312 31.700 -0.014 0.000 0.864 13 M N 1.887 121.481 119.600 -0.008 0.000 2.591 13 M HA 0.281 4.761 4.480 -0.000 0.000 0.306 13 M C 0.303 176.600 176.300 -0.005 0.000 1.190 13 M CA -0.810 54.487 55.300 -0.005 0.000 0.889 13 M CB 1.930 34.529 32.600 -0.003 0.000 1.728 13 M HN 0.314 nan 8.290 nan 0.000 0.458 14 D N 0.017 120.416 120.400 -0.002 0.000 2.414 14 D HA 0.056 4.696 4.640 -0.000 0.000 0.259 14 D C 0.664 176.964 176.300 0.001 0.000 1.269 14 D CA -0.313 53.685 54.000 -0.002 0.000 1.028 14 D CB 0.314 41.113 40.800 -0.001 0.000 1.093 14 D HN 0.407 nan 8.370 nan 0.000 0.545 15 E N -1.508 118.692 120.200 0.001 0.000 2.333 15 E HA -0.112 4.238 4.350 -0.000 0.000 0.198 15 E C 1.324 177.927 176.600 0.004 0.000 1.007 15 E CA 0.989 57.392 56.400 0.004 0.000 0.845 15 E CB -0.330 29.372 29.700 0.004 0.000 0.766 15 E HN 0.419 nan 8.360 nan 0.000 0.507 16 K N -1.338 119.064 120.400 0.004 0.000 2.404 16 K HA 0.196 4.516 4.320 -0.000 0.000 0.194 16 K C 1.283 177.885 176.600 0.005 0.000 1.023 16 K CA 0.493 56.783 56.287 0.004 0.000 1.094 16 K CB 0.834 33.337 32.500 0.005 0.000 0.841 16 K HN 0.312 nan 8.250 nan 0.000 0.523 17 G N 1.838 110.640 108.800 0.004 0.000 2.143 17 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.249 17 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.249 17 G C -0.351 174.551 174.900 0.004 0.000 0.981 17 G CA -0.299 44.803 45.100 0.003 0.000 0.665 17 G HN 0.246 nan 8.290 nan 0.000 0.528 18 N N -0.196 118.507 118.700 0.005 0.000 2.487 18 N HA 0.433 5.173 4.740 -0.000 0.000 0.292 18 N C 0.423 175.936 175.510 0.006 0.000 1.108 18 N CA -0.289 52.765 53.050 0.007 0.000 0.956 18 N CB 2.121 40.614 38.487 0.009 0.000 1.176 18 N HN 0.232 nan 8.380 nan 0.000 0.484 19 V N 1.357 121.276 119.914 0.009 0.000 2.644 19 V HA -0.100 4.020 4.120 -0.000 0.000 0.305 19 V C 0.120 176.218 176.094 0.006 0.000 1.053 19 V CA -0.077 62.227 62.300 0.007 0.000 1.186 19 V CB 0.056 31.887 31.823 0.013 0.000 0.895 19 V HN 0.784 nan 8.190 nan 0.000 0.490 20 C N 8.073 127.374 119.300 0.002 0.000 2.203 20 C HA 0.414 4.874 4.460 -0.000 0.000 0.325 20 C C 1.663 176.653 174.990 0.001 0.000 1.156 20 C CA -0.513 58.505 59.018 -0.000 0.000 1.597 20 C CB -0.529 27.207 27.740 -0.007 0.000 2.148 20 C HN 1.131 nan 8.230 nan 0.000 0.472 21 R N 3.774 124.277 120.500 0.005 0.000 2.091 21 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 21 R C 2.102 178.405 176.300 0.005 0.000 1.136 21 R CA 2.085 58.189 56.100 0.008 0.000 0.959 21 R CB -0.116 30.190 30.300 0.010 0.000 0.856 21 R HN 0.854 nan 8.270 nan 0.000 0.437 22 A N -0.024 122.796 122.820 -0.000 0.000 1.877 22 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 22 A C 2.205 179.785 177.584 -0.008 0.000 1.186 22 A CA 1.968 54.002 52.037 -0.004 0.000 0.620 22 A CB -0.557 18.438 19.000 -0.009 0.000 0.822 22 A HN 0.425 nan 8.150 nan 0.000 0.443 23 S N -0.621 115.071 115.700 -0.012 0.000 2.368 23 S HA -0.107 4.363 4.470 -0.000 0.000 0.224 23 S C 1.840 176.436 174.600 -0.007 0.000 1.029 23 S CA 1.305 59.493 58.200 -0.020 0.000 0.988 23 S CB -0.390 62.794 63.200 -0.027 0.000 0.838 23 S HN 0.452 nan 8.310 nan 0.000 0.462 24 L N 2.303 123.528 121.223 0.004 0.000 2.046 24 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 24 L C 2.165 179.053 176.870 0.030 0.000 1.077 24 L CA 1.826 56.678 54.840 0.019 0.000 0.747 24 L CB -0.607 41.461 42.059 0.016 0.000 0.896 24 L HN 0.170 nan 8.230 nan 0.000 0.432 25 K N -0.442 119.970 120.400 0.020 0.000 2.026 25 K HA -0.268 4.052 4.320 -0.000 0.000 0.208 25 K C 2.331 178.949 176.600 0.030 0.000 1.048 25 K CA 1.819 58.120 56.287 0.024 0.000 0.929 25 K CB -0.173 32.336 32.500 0.014 0.000 0.713 25 K HN 0.296 nan 8.250 nan 0.000 0.439 26 K N 0.739 121.148 120.400 0.015 0.000 2.032 26 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 26 K C 2.197 178.819 176.600 0.036 0.000 1.048 26 K CA 1.528 57.820 56.287 0.008 0.000 0.927 26 K CB -0.136 32.346 32.500 -0.029 0.000 0.712 26 K HN 0.157 nan 8.250 nan 0.000 0.441 27 L N 0.767 122.016 121.223 0.044 0.000 2.012 27 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 27 L C 2.469 179.484 176.870 0.243 0.000 1.073 27 L CA 1.388 56.304 54.840 0.127 0.000 0.748 27 L CB -0.473 41.671 42.059 0.142 0.000 0.891 27 L HN 0.256 nan 8.230 nan 0.000 0.431 28 I N -0.358 120.314 120.570 0.171 0.000 2.252 28 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 28 I C 2.100 178.290 176.117 0.121 0.000 1.102 28 I CA 1.105 62.501 61.300 0.160 0.000 1.385 28 I CB -0.438 37.612 38.000 0.085 0.000 1.064 28 I HN 0.266 nan 8.210 nan 0.000 0.414 29 D N 0.188 120.639 120.400 0.086 0.000 2.144 29 D HA -0.236 4.404 4.640 -0.000 0.000 0.199 29 D C 1.896 178.231 176.300 0.058 0.000 0.984 29 D CA 1.300 55.334 54.000 0.057 0.000 0.834 29 D CB -0.332 40.493 40.800 0.043 0.000 0.955 29 D HN 0.393 nan 8.370 nan 0.000 0.465 30 Y N 1.332 121.585 120.300 -0.078 0.000 2.145 30 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 30 Y C 2.339 178.112 175.900 -0.212 0.000 1.145 30 Y CA 1.741 59.740 58.100 -0.168 0.000 1.148 30 Y CB -0.353 37.956 38.460 -0.253 0.000 0.981 30 Y HN 0.110 nan 8.280 nan 0.000 0.507 31 H N -1.060 117.946 119.070 -0.107 0.000 2.389 31 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 31 H C 2.537 177.773 175.328 -0.153 0.000 1.081 31 H CA 1.626 57.551 56.048 -0.205 0.000 1.345 31 H CB -0.496 29.227 29.762 -0.064 0.000 1.393 31 H HN 0.338 nan 8.280 nan 0.000 0.520 32 V N 1.280 121.200 119.914 0.012 0.000 2.287 32 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 32 V C 2.800 178.859 176.094 -0.059 0.000 1.053 32 V CA 1.803 64.093 62.300 -0.017 0.000 1.027 32 V CB -0.973 30.849 31.823 -0.002 0.000 0.646 32 V HN 0.467 nan 8.190 nan 0.000 0.447 33 A N -0.977 121.792 122.820 -0.085 0.000 2.015 33 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 33 A C 2.265 179.770 177.584 -0.132 0.000 1.163 33 A CA 1.870 53.853 52.037 -0.090 0.000 0.646 33 A CB -0.323 18.636 19.000 -0.068 0.000 0.806 33 A HN 0.515 nan 8.150 nan 0.000 0.448 34 S N -1.805 113.758 115.700 -0.228 0.000 2.556 34 S HA 0.390 4.860 4.470 -0.000 0.000 0.216 34 S C 1.271 175.777 174.600 -0.157 0.000 0.970 34 S CA 0.617 58.658 58.200 -0.264 0.000 0.912 34 S CB 0.348 63.201 63.200 -0.579 0.000 0.790 34 S HN 1.548 nan 8.310 nan 0.000 0.504 35 G N 1.990 110.728 108.800 -0.104 0.000 2.141 35 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.242 35 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.242 35 G C 0.141 175.018 174.900 -0.039 0.000 0.982 35 G CA 0.151 45.215 45.100 -0.060 0.000 0.662 35 G HN 0.451 nan 8.290 nan 0.000 0.527 36 T N 1.191 115.730 114.554 -0.025 0.000 2.934 36 T HA 0.338 4.688 4.350 -0.000 0.000 0.306 36 T C 1.696 176.375 174.700 -0.035 0.000 1.042 36 T CA 0.718 62.817 62.100 -0.001 0.000 1.145 36 T CB 1.308 70.218 68.868 0.071 0.000 0.982 36 T HN 0.252 nan 8.240 nan 0.000 0.544 37 S N 1.599 117.271 115.700 -0.047 0.000 2.387 37 S HA 0.316 4.786 4.470 -0.000 0.000 0.226 37 S C 0.906 175.447 174.600 -0.099 0.000 1.026 37 S CA 0.590 58.748 58.200 -0.070 0.000 0.972 37 S CB 0.036 63.198 63.200 -0.063 0.000 0.814 37 S HN 0.978 nan 8.310 nan 0.000 0.477 38 A N -0.040 122.720 122.820 -0.100 0.000 2.566 38 A HA 0.702 5.022 4.320 -0.000 0.000 0.290 38 A C -1.820 175.688 177.584 -0.127 0.000 1.071 38 A CA -0.755 51.213 52.037 -0.114 0.000 0.658 38 A CB 0.650 19.571 19.000 -0.132 0.000 1.285 38 A HN 0.177 nan 8.150 nan 0.000 0.427 39 I N 1.093 121.591 120.570 -0.120 0.000 2.389 39 I HA 0.386 4.556 4.170 -0.000 0.000 0.288 39 I C -0.645 175.414 176.117 -0.096 0.000 0.999 39 I CA -0.955 60.262 61.300 -0.139 0.000 1.129 39 I CB 1.883 39.807 38.000 -0.128 0.000 1.288 39 I HN 0.330 nan 8.210 nan 0.000 0.444 40 V N 5.361 125.218 119.914 -0.095 0.000 2.408 40 V HA 0.138 4.258 4.120 -0.000 0.000 0.267 40 V C 0.439 176.490 176.094 -0.073 0.000 1.047 40 V CA -0.006 62.251 62.300 -0.072 0.000 0.937 40 V CB 1.231 33.010 31.823 -0.073 0.000 0.999 40 V HN 0.768 nan 8.190 nan 0.000 0.472 41 S N 4.089 119.746 115.700 -0.072 0.000 2.442 41 S HA 0.459 4.929 4.470 -0.000 0.000 0.297 41 S C 0.172 174.728 174.600 -0.073 0.000 1.131 41 S CA -0.438 57.718 58.200 -0.075 0.000 1.092 41 S CB 0.909 64.056 63.200 -0.088 0.000 0.998 41 S HN 1.088 nan 8.310 nan 0.000 0.478 42 V N 3.789 123.644 119.914 -0.098 0.000 5.961 42 V HA -0.198 3.922 4.120 -0.000 0.000 0.311 42 V C 1.060 177.089 176.094 -0.109 0.000 0.552 42 V CA 1.051 63.238 62.300 -0.188 0.000 0.641 42 V CB -2.648 28.909 31.823 -0.444 0.000 0.286 42 V HN 0.965 nan 8.190 nan 0.000 0.939 43 G N 0.307 109.087 108.800 -0.034 0.000 2.574 43 G HA2 0.446 4.406 3.960 -0.000 0.000 0.248 43 G HA3 0.446 4.406 3.960 -0.000 0.000 0.248 43 G C 0.962 175.887 174.900 0.041 0.000 1.422 43 G CA 0.450 45.575 45.100 0.041 0.000 1.051 43 G HN 0.404 nan 8.290 nan 0.000 0.560 44 T N 0.163 114.784 114.554 0.110 0.000 2.746 44 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 44 T C 2.512 177.239 174.700 0.045 0.000 1.039 44 T CA 2.012 64.168 62.100 0.094 0.000 1.142 44 T CB -0.432 68.547 68.868 0.184 0.000 0.866 44 T HN 0.384 nan 8.240 nan 0.000 0.444 45 T N 0.927 115.507 114.554 0.044 0.000 2.995 45 T HA 0.073 4.423 4.350 -0.000 0.000 0.269 45 T C 1.971 176.667 174.700 -0.007 0.000 1.091 45 T CA 0.935 63.048 62.100 0.022 0.000 1.128 45 T CB -0.334 68.548 68.868 0.024 0.000 0.891 45 T HN 0.502 nan 8.240 nan 0.000 0.492 46 G N 0.651 109.438 108.800 -0.022 0.000 3.181 46 G HA2 0.153 4.113 3.960 -0.000 0.000 0.219 46 G HA3 0.153 4.113 3.960 -0.000 0.000 0.219 46 G C 0.123 174.983 174.900 -0.066 0.000 1.182 46 G CA -0.275 44.796 45.100 -0.048 0.000 0.791 46 G HN 0.546 nan 8.290 nan 0.000 0.537 47 E N -0.175 119.995 120.200 -0.050 0.000 2.416 47 E HA -0.273 4.077 4.350 -0.000 0.000 0.249 47 E C 1.862 178.410 176.600 -0.087 0.000 1.124 47 E CA 0.227 56.593 56.400 -0.055 0.000 0.732 47 E CB -1.482 28.193 29.700 -0.042 0.000 1.286 47 E HN 0.629 nan 8.360 nan 0.000 0.394 48 S N -0.790 114.846 115.700 -0.107 0.000 2.374 48 S HA -0.275 4.195 4.470 -0.000 0.000 0.227 48 S C 2.151 176.709 174.600 -0.071 0.000 1.037 48 S CA 1.162 59.275 58.200 -0.145 0.000 1.024 48 S CB -0.178 62.977 63.200 -0.075 0.000 0.861 48 S HN 0.548 nan 8.310 nan 0.000 0.456 49 A N 1.987 124.767 122.820 -0.068 0.000 1.940 49 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 49 A C 2.465 180.023 177.584 -0.043 0.000 1.176 49 A CA 2.115 54.114 52.037 -0.062 0.000 0.631 49 A CB -1.398 17.544 19.000 -0.097 0.000 0.814 49 A HN 0.851 nan 8.150 nan 0.000 0.446 50 T N -3.538 110.989 114.554 -0.044 0.000 3.105 50 T HA 0.474 4.824 4.350 -0.000 0.000 0.253 50 T C 0.033 174.719 174.700 -0.024 0.000 1.047 50 T CA -0.316 61.766 62.100 -0.030 0.000 0.944 50 T CB -0.127 68.725 68.868 -0.026 0.000 1.016 50 T HN -0.017 nan 8.240 nan 0.000 0.544 51 L N 4.176 125.380 121.223 -0.031 0.000 2.289 51 L HA 0.496 4.836 4.340 -0.000 0.000 0.285 51 L C 0.241 177.110 176.870 -0.002 0.000 1.049 51 L CA -1.074 53.760 54.840 -0.011 0.000 0.804 51 L CB 0.995 43.039 42.059 -0.026 0.000 1.195 51 L HN 0.411 nan 8.230 nan 0.000 0.428 52 N N 1.148 119.857 118.700 0.016 0.000 2.354 52 N HA -0.016 4.724 4.740 -0.000 0.000 0.246 52 N C 0.895 176.427 175.510 0.036 0.000 1.285 52 N CA 0.171 53.227 53.050 0.010 0.000 0.925 52 N CB 0.186 38.705 38.487 0.053 0.000 1.174 52 N HN 0.512 nan 8.380 nan 0.000 0.478 53 H N -1.512 117.614 119.070 0.094 0.000 2.387 53 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 53 H C 0.747 176.117 175.328 0.070 0.000 1.099 53 H CA 2.061 58.148 56.048 0.066 0.000 1.315 53 H CB -0.016 29.741 29.762 -0.007 0.000 1.380 53 H HN 0.635 nan 8.280 nan 0.000 0.513 54 D N 0.149 120.650 120.400 0.168 0.000 2.097 54 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 54 D C 1.929 178.306 176.300 0.129 0.000 0.984 54 D CA 1.046 55.117 54.000 0.117 0.000 0.826 54 D CB -0.027 40.822 40.800 0.083 0.000 0.973 54 D HN 0.475 nan 8.370 nan 0.000 0.460 55 E N -0.789 119.484 120.200 0.122 0.000 2.077 55 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 55 E C 1.959 178.660 176.600 0.169 0.000 0.989 55 E CA 0.890 57.357 56.400 0.112 0.000 0.800 55 E CB -0.198 29.547 29.700 0.074 0.000 0.746 55 E HN 0.530 nan 8.360 nan 0.000 0.452 56 H N 0.181 119.299 119.070 0.081 0.000 2.289 56 H HA -0.162 4.394 4.556 -0.000 0.000 0.296 56 H C 2.108 177.566 175.328 0.217 0.000 1.091 56 H CA 1.481 57.602 56.048 0.122 0.000 1.274 56 H CB 0.044 29.871 29.762 0.108 0.000 1.364 56 H HN 0.191 nan 8.280 nan 0.000 0.490 57 A N 0.644 123.722 122.820 0.430 0.000 1.902 57 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 57 A C 2.052 179.822 177.584 0.310 0.000 1.181 57 A CA 1.865 54.165 52.037 0.438 0.000 0.623 57 A CB -0.475 18.637 19.000 0.187 0.000 0.818 57 A HN 0.549 nan 8.150 nan 0.000 0.443 58 D N -0.269 120.252 120.400 0.201 0.000 2.123 58 D HA -0.121 4.519 4.640 -0.000 0.000 0.196 58 D C 2.058 178.428 176.300 0.117 0.000 0.992 58 D CA 1.520 55.601 54.000 0.135 0.000 0.833 58 D CB -0.438 40.420 40.800 0.097 0.000 0.954 58 D HN 0.218 nan 8.370 nan 0.000 0.455 59 V N 0.466 120.451 119.914 0.117 0.000 2.307 59 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 59 V C 2.650 178.778 176.094 0.057 0.000 1.045 59 V CA 0.983 63.324 62.300 0.068 0.000 1.024 59 V CB -0.442 31.403 31.823 0.035 0.000 0.651 59 V HN 0.058 nan 8.190 nan 0.000 0.449 60 V N -0.447 119.518 119.914 0.085 0.000 2.287 60 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 60 V C 2.517 178.623 176.094 0.019 0.000 1.053 60 V CA 2.013 64.307 62.300 -0.010 0.000 1.027 60 V CB -0.637 31.068 31.823 -0.196 0.000 0.646 60 V HN 0.414 nan 8.190 nan 0.000 0.447 61 M N -1.260 118.399 119.600 0.097 0.000 2.175 61 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 61 M C 2.126 178.459 176.300 0.054 0.000 1.063 61 M CA 1.721 57.074 55.300 0.088 0.000 1.119 61 M CB -1.136 31.536 32.600 0.119 0.000 1.377 61 M HN 0.392 nan 8.290 nan 0.000 0.415 62 M N -0.296 119.334 119.600 0.050 0.000 2.132 62 M HA -0.175 4.305 4.480 -0.000 0.000 0.263 62 M C 1.826 178.139 176.300 0.022 0.000 1.065 62 M CA 1.578 56.899 55.300 0.035 0.000 1.122 62 M CB -0.159 32.462 32.600 0.035 0.000 1.365 62 M HN 0.200 nan 8.290 nan 0.000 0.411 63 T N 1.384 115.946 114.554 0.014 0.000 2.746 63 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 63 T C 1.647 176.346 174.700 -0.001 0.000 1.039 63 T CA 1.187 63.288 62.100 0.002 0.000 1.142 63 T CB -0.285 68.573 68.868 -0.016 0.000 0.866 63 T HN 0.226 nan 8.240 nan 0.000 0.444 64 L N 1.659 122.880 121.223 -0.003 0.000 2.012 64 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 64 L C 2.247 179.122 176.870 0.008 0.000 1.073 64 L CA 1.761 56.600 54.840 -0.002 0.000 0.748 64 L CB -1.102 40.961 42.059 0.006 0.000 0.891 64 L HN 0.221 nan 8.230 nan 0.000 0.431 65 D N -0.901 119.508 120.400 0.016 0.000 2.092 65 D HA -0.211 4.429 4.640 -0.000 0.000 0.193 65 D C 2.309 178.618 176.300 0.014 0.000 0.994 65 D CA 1.520 55.531 54.000 0.017 0.000 0.828 65 D CB -0.137 40.676 40.800 0.023 0.000 0.963 65 D HN 0.319 nan 8.370 nan 0.000 0.450 66 L N 0.044 121.275 121.223 0.015 0.000 2.083 66 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 66 L C 2.619 179.497 176.870 0.013 0.000 1.083 66 L CA 1.133 55.982 54.840 0.015 0.000 0.752 66 L CB -0.514 41.557 42.059 0.019 0.000 0.899 66 L HN 0.077 nan 8.230 nan 0.000 0.433 67 A N -0.794 122.032 122.820 0.009 0.000 1.972 67 A HA -0.267 4.052 4.320 -0.000 0.000 0.219 67 A C 1.235 178.820 177.584 0.001 0.000 1.169 67 A CA 1.408 53.447 52.037 0.005 0.000 0.635 67 A CB -0.433 18.564 19.000 -0.006 0.000 0.810 67 A HN 0.547 nan 8.150 nan 0.000 0.446 68 D N -3.085 117.316 120.400 0.002 0.000 2.751 68 D HA -0.141 4.499 4.640 -0.000 0.000 0.233 68 D C 0.929 177.227 176.300 -0.003 0.000 1.149 68 D CA 1.918 55.919 54.000 0.002 0.000 0.682 68 D CB -1.591 39.211 40.800 0.003 0.000 1.068 68 D HN 1.466 nan 8.370 nan 0.000 0.429 69 G N -0.618 108.178 108.800 -0.008 0.000 2.184 69 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.264 69 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.264 69 G C 1.163 176.052 174.900 -0.019 0.000 0.975 69 G CA 0.696 45.788 45.100 -0.014 0.000 0.642 69 G HN 0.573 nan 8.290 nan 0.000 0.536 70 R N -0.669 119.821 120.500 -0.017 0.000 2.246 70 R HA 0.521 4.861 4.340 -0.000 0.000 0.199 70 R C 0.991 177.275 176.300 -0.027 0.000 0.984 70 R CA 1.009 57.097 56.100 -0.019 0.000 1.015 70 R CB 0.615 30.909 30.300 -0.011 0.000 0.930 70 R HN 0.565 nan 8.270 nan 0.000 0.475 71 I N 0.902 121.453 120.570 -0.031 0.000 2.680 71 I HA 0.324 4.494 4.170 -0.000 0.000 0.291 71 I C -2.783 173.298 176.117 -0.059 0.000 1.244 71 I CA -2.850 58.423 61.300 -0.045 0.000 1.042 71 I CB 2.482 40.464 38.000 -0.029 0.000 1.277 71 I HN -0.178 nan 8.210 nan 0.000 0.423 72 P HA 0.202 nan 4.420 nan 0.000 0.268 72 P C -1.261 175.986 177.300 -0.087 0.000 1.205 72 P CA -0.166 62.872 63.100 -0.103 0.000 0.771 72 P CB 0.807 32.402 31.700 -0.176 0.000 0.858 73 V N 4.455 124.329 119.914 -0.067 0.000 2.448 73 V HA 0.394 4.514 4.120 -0.000 0.000 0.295 73 V C 0.242 176.312 176.094 -0.040 0.000 1.025 73 V CA -0.489 61.775 62.300 -0.060 0.000 0.859 73 V CB 1.493 33.280 31.823 -0.060 0.000 0.988 73 V HN 0.391 nan 8.190 nan 0.000 0.431 74 I N 3.755 124.307 120.570 -0.030 0.000 2.377 74 I HA 0.661 4.831 4.170 -0.000 0.000 0.293 74 I C 0.545 176.626 176.117 -0.059 0.000 0.987 74 I CA -0.470 60.834 61.300 0.007 0.000 1.185 74 I CB 1.806 39.846 38.000 0.066 0.000 1.341 74 I HN 0.695 nan 8.210 nan 0.000 0.455 75 A N 4.800 127.558 122.820 -0.104 0.000 2.328 75 A HA 0.613 4.933 4.320 -0.000 0.000 0.284 75 A C 0.519 178.098 177.584 -0.007 0.000 1.160 75 A CA -0.420 51.502 52.037 -0.192 0.000 0.818 75 A CB 0.374 19.024 19.000 -0.585 0.000 1.087 75 A HN 0.863 nan 8.150 nan 0.000 0.504 76 G N 1.317 110.159 108.800 0.070 0.000 2.334 76 G HA2 0.395 4.355 3.960 -0.000 0.000 0.261 76 G HA3 0.395 4.355 3.960 -0.000 0.000 0.261 76 G C 0.691 175.813 174.900 0.371 0.000 1.257 76 G CA 0.588 45.811 45.100 0.205 0.000 0.935 76 G HN 1.230 nan 8.290 nan 0.000 0.480 77 T N -0.197 114.553 114.554 0.326 0.000 3.144 77 T HA 0.350 4.700 4.350 -0.000 0.000 0.290 77 T C 1.081 175.963 174.700 0.304 0.000 0.966 77 T CA 0.241 62.539 62.100 0.329 0.000 0.907 77 T CB 0.443 69.489 68.868 0.297 0.000 1.152 77 T HN 0.709 nan 8.240 nan 0.000 0.532 78 G N 0.924 109.931 108.800 0.345 0.000 2.491 78 G HA2 0.559 4.519 3.960 -0.000 0.000 0.238 78 G HA3 0.559 4.519 3.960 -0.000 0.000 0.238 78 G C -0.254 174.855 174.900 0.349 0.000 1.277 78 G CA 0.006 45.324 45.100 0.363 0.000 0.851 78 G HN 0.898 nan 8.290 nan 0.000 0.573 79 A N 1.538 124.530 122.820 0.286 0.000 2.606 79 A HA 0.596 4.916 4.320 -0.000 0.000 0.293 79 A C 0.479 178.000 177.584 -0.106 0.000 1.082 79 A CA -0.506 51.638 52.037 0.178 0.000 0.685 79 A CB 1.303 20.411 19.000 0.180 0.000 1.284 79 A HN 0.750 nan 8.150 nan 0.000 0.408 80 N N 0.333 118.773 118.700 -0.434 0.000 2.336 80 N HA 0.309 5.049 4.740 -0.000 0.000 0.189 80 N C 0.150 175.504 175.510 -0.261 0.000 1.113 80 N CA 0.776 53.469 53.050 -0.595 0.000 0.858 80 N CB 0.404 38.339 38.487 -0.921 0.000 0.970 80 N HN 0.941 nan 8.380 nan 0.000 0.471 81 A N -0.391 122.378 122.820 -0.086 0.000 2.330 81 A HA 0.561 4.881 4.320 -0.000 0.000 0.313 81 A C 0.887 178.515 177.584 0.075 0.000 1.124 81 A CA -0.599 51.431 52.037 -0.012 0.000 0.774 81 A CB 0.916 19.915 19.000 -0.003 0.000 1.198 81 A HN 0.103 nan 8.150 nan 0.000 0.465 82 T N 2.003 116.620 114.554 0.105 0.000 2.720 82 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 82 T C 2.241 176.921 174.700 -0.033 0.000 1.037 82 T CA 2.242 64.378 62.100 0.060 0.000 1.144 82 T CB -0.215 68.690 68.868 0.062 0.000 0.864 82 T HN 0.927 nan 8.240 nan 0.000 0.444 83 A N 1.629 124.433 122.820 -0.027 0.000 1.908 83 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 83 A C 2.223 179.772 177.584 -0.058 0.000 1.181 83 A CA 1.692 53.697 52.037 -0.054 0.000 0.627 83 A CB -0.545 18.423 19.000 -0.053 0.000 0.818 83 A HN 0.588 nan 8.150 nan 0.000 0.445 84 E N -0.334 119.851 120.200 -0.025 0.000 2.077 84 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 84 E C 2.339 178.950 176.600 0.018 0.000 0.989 84 E CA 0.890 57.283 56.400 -0.012 0.000 0.800 84 E CB -0.287 29.465 29.700 0.087 0.000 0.746 84 E HN 0.630 nan 8.360 nan 0.000 0.452 85 A N 1.255 124.095 122.820 0.033 0.000 1.877 85 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 85 A C 2.182 179.760 177.584 -0.009 0.000 1.186 85 A CA 1.102 53.160 52.037 0.035 0.000 0.620 85 A CB -0.589 18.398 19.000 -0.022 0.000 0.822 85 A HN 0.128 nan 8.150 nan 0.000 0.443 86 I N -0.447 120.092 120.570 -0.051 0.000 2.226 86 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 86 I C 2.891 178.967 176.117 -0.068 0.000 1.100 86 I CA 1.590 62.861 61.300 -0.049 0.000 1.374 86 I CB -0.224 37.734 38.000 -0.071 0.000 1.057 86 I HN 0.454 nan 8.210 nan 0.000 0.413 87 S N 0.923 116.565 115.700 -0.097 0.000 2.368 87 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 87 S C 2.073 176.566 174.600 -0.180 0.000 1.030 87 S CA 1.165 59.279 58.200 -0.142 0.000 0.999 87 S CB -0.321 62.772 63.200 -0.179 0.000 0.844 87 S HN 0.271 nan 8.310 nan 0.000 0.459 88 L N 1.846 122.982 121.223 -0.146 0.000 2.046 88 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 88 L C 2.607 179.320 176.870 -0.262 0.000 1.077 88 L CA 2.322 57.038 54.840 -0.206 0.000 0.747 88 L CB -1.635 40.409 42.059 -0.025 0.000 0.896 88 L HN 0.349 nan 8.230 nan 0.000 0.432 89 T N -0.999 113.525 114.554 -0.051 0.000 2.788 89 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 89 T C 1.791 176.471 174.700 -0.033 0.000 1.044 89 T CA 1.192 63.321 62.100 0.048 0.000 1.139 89 T CB -0.119 68.792 68.868 0.072 0.000 0.867 89 T HN 0.339 nan 8.240 nan 0.000 0.454 90 Q N 0.939 120.681 119.800 -0.096 0.000 2.170 90 Q HA -0.029 4.311 4.340 -0.000 0.000 0.203 90 Q C 2.687 178.596 176.000 -0.151 0.000 0.976 90 Q CA 0.817 56.567 55.803 -0.089 0.000 0.858 90 Q CB -0.534 28.151 28.738 -0.089 0.000 0.907 90 Q HN 0.370 nan 8.270 nan 0.000 0.433 91 R N -0.282 120.022 120.500 -0.328 0.000 2.159 91 R HA -0.076 4.264 4.340 -0.000 0.000 0.237 91 R C 1.776 177.871 176.300 -0.342 0.000 1.131 91 R CA 1.099 56.934 56.100 -0.442 0.000 0.982 91 R CB -0.692 29.177 30.300 -0.718 0.000 0.868 91 R HN 0.366 nan 8.270 nan 0.000 0.453 92 F N -0.118 119.840 119.950 0.013 0.000 2.704 92 F HA 0.389 4.916 4.527 -0.000 0.000 0.304 92 F C 0.565 176.380 175.800 0.026 0.000 1.094 92 F CA -1.522 56.493 58.000 0.025 0.000 1.275 92 F CB -0.459 38.561 39.000 0.034 0.000 1.073 92 F HN -0.059 nan 8.300 nan 0.000 0.586 93 N N 2.161 120.948 118.700 0.146 0.000 2.411 93 N HA -0.066 4.674 4.740 -0.000 0.000 0.261 93 N C 0.303 175.865 175.510 0.087 0.000 1.248 93 N CA 0.916 54.025 53.050 0.099 0.000 0.885 93 N CB -0.024 38.496 38.487 0.055 0.000 1.062 93 N HN 0.214 nan 8.380 nan 0.000 0.471 94 D N -0.891 119.557 120.400 0.080 0.000 3.041 94 D HA -0.179 4.461 4.640 -0.000 0.000 0.220 94 D C 0.720 177.064 176.300 0.074 0.000 1.157 94 D CA 1.222 55.261 54.000 0.064 0.000 0.876 94 D CB -1.454 39.374 40.800 0.046 0.000 1.107 94 D HN 0.620 nan 8.370 nan 0.000 0.422 95 S N -1.098 114.665 115.700 0.105 0.000 2.470 95 S HA 0.277 4.747 4.470 -0.000 0.000 0.225 95 S C 1.905 176.548 174.600 0.073 0.000 1.006 95 S CA 1.410 59.678 58.200 0.113 0.000 0.934 95 S CB 0.860 64.176 63.200 0.193 0.000 0.778 95 S HN 0.981 nan 8.310 nan 0.000 0.517 96 G N 1.632 110.466 108.800 0.058 0.000 2.213 96 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 96 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 96 G C 0.156 175.070 174.900 0.024 0.000 0.992 96 G CA -0.206 44.915 45.100 0.035 0.000 0.632 96 G HN 1.005 nan 8.290 nan 0.000 0.511 97 I N 0.183 120.769 120.570 0.027 0.000 2.892 97 I HA 0.474 4.644 4.170 -0.000 0.000 0.287 97 I C 1.838 177.980 176.117 0.042 0.000 1.205 97 I CA -0.142 61.162 61.300 0.008 0.000 1.409 97 I CB 1.029 39.009 38.000 -0.035 0.000 1.367 97 I HN 0.366 nan 8.210 nan 0.000 0.597 98 V N 1.600 121.545 119.914 0.052 0.000 3.506 98 V HA 0.615 4.735 4.120 -0.000 0.000 0.263 98 V C 0.810 177.053 176.094 0.248 0.000 1.203 98 V CA 0.720 63.085 62.300 0.109 0.000 1.133 98 V CB -1.044 30.788 31.823 0.015 0.000 0.802 98 V HN 1.211 nan 8.190 nan 0.000 0.459 99 G N -1.744 107.169 108.800 0.190 0.000 2.356 99 G HA2 0.474 4.434 3.960 -0.000 0.000 0.294 99 G HA3 0.474 4.434 3.960 -0.000 0.000 0.294 99 G C -1.645 173.302 174.900 0.078 0.000 1.423 99 G CA 0.019 45.211 45.100 0.152 0.000 0.806 99 G HN 0.270 nan 8.290 nan 0.000 0.527 100 C N -0.431 118.889 119.300 0.033 0.000 2.563 100 C HA 0.788 5.248 4.460 -0.000 0.000 0.314 100 C C -0.362 174.648 174.990 0.032 0.000 1.199 100 C CA -0.657 58.393 59.018 0.054 0.000 1.564 100 C CB 0.950 28.749 27.740 0.100 0.000 2.173 100 C HN 0.816 nan 8.230 nan 0.000 0.485 101 L N 2.517 123.783 121.223 0.071 0.000 2.298 101 L HA 0.673 5.013 4.340 -0.000 0.000 0.284 101 L C 0.015 177.013 176.870 0.214 0.000 1.013 101 L CA 0.541 55.431 54.840 0.083 0.000 0.824 101 L CB 1.297 43.374 42.059 0.030 0.000 1.221 101 L HN 0.806 nan 8.230 nan 0.000 0.418 102 T N 4.813 119.526 114.554 0.265 0.000 2.864 102 T HA 0.414 4.764 4.350 -0.000 0.000 0.299 102 T C -0.921 174.099 174.700 0.532 0.000 1.011 102 T CA -0.358 61.981 62.100 0.398 0.000 0.975 102 T CB 0.828 69.930 68.868 0.391 0.000 0.962 102 T HN 0.461 nan 8.240 nan 0.000 0.448 103 V N 6.230 126.435 119.914 0.484 0.000 2.775 103 V HA 0.521 4.641 4.120 -0.000 0.000 0.299 103 V C 0.990 177.334 176.094 0.416 0.000 1.062 103 V CA -0.082 62.412 62.300 0.323 0.000 1.063 103 V CB 1.276 33.116 31.823 0.028 0.000 0.994 103 V HN 1.116 nan 8.190 nan 0.000 0.483 104 T N 5.522 120.293 114.554 0.362 0.000 2.934 104 T HA 0.158 4.508 4.350 -0.000 0.000 0.306 104 T C -2.498 172.188 174.700 -0.023 0.000 1.042 104 T CA -0.869 61.362 62.100 0.219 0.000 1.145 104 T CB 0.369 69.339 68.868 0.171 0.000 0.982 104 T HN 0.617 nan 8.240 nan 0.000 0.544 105 P HA 0.068 nan 4.420 nan 0.000 0.261 105 P C -0.721 176.431 177.300 -0.246 0.000 1.165 105 P CA 0.182 63.003 63.100 -0.465 0.000 0.759 105 P CB -0.136 31.206 31.700 -0.597 0.000 0.772 106 Y N 2.019 122.301 120.300 -0.030 0.000 2.457 106 Y HA 0.476 5.026 4.550 -0.000 0.000 0.333 106 Y C 1.284 177.260 175.900 0.127 0.000 1.119 106 Y CA -1.181 56.935 58.100 0.027 0.000 1.143 106 Y CB 0.470 38.949 38.460 0.032 0.000 1.230 106 Y HN 0.523 nan 8.280 nan 0.000 0.469 107 Y N 1.434 121.803 120.300 0.115 0.000 2.768 107 Y HA -0.446 4.104 4.550 -0.000 0.000 0.480 107 Y C 1.304 177.202 175.900 -0.003 0.000 1.271 107 Y CA 2.283 60.421 58.100 0.064 0.000 2.593 107 Y CB -1.509 37.014 38.460 0.104 0.000 0.968 107 Y HN 0.808 nan 8.280 nan 0.000 0.531 108 N N 1.778 120.431 118.700 -0.078 0.000 2.467 108 N HA 0.020 4.760 4.740 -0.000 0.000 0.184 108 N C -0.060 175.361 175.510 -0.149 0.000 1.106 108 N CA 1.118 54.073 53.050 -0.159 0.000 0.892 108 N CB -0.330 38.111 38.487 -0.077 0.000 0.969 108 N HN 0.568 nan 8.380 nan 0.000 0.454 109 R N 0.103 120.529 120.500 -0.122 0.000 3.205 109 R HA -0.091 4.249 4.340 -0.000 0.000 0.249 109 R C -2.024 174.225 176.300 -0.084 0.000 0.937 109 R CA 0.505 56.550 56.100 -0.093 0.000 0.641 109 R CB -2.186 28.056 30.300 -0.097 0.000 1.114 109 R HN 0.489 nan 8.270 nan 0.000 0.451 110 P HA 0.049 nan 4.420 nan 0.000 0.272 110 P C 0.401 177.675 177.300 -0.042 0.000 1.240 110 P CA -0.238 62.814 63.100 -0.081 0.000 0.791 110 P CB 0.618 32.242 31.700 -0.126 0.000 0.978 111 S N 0.750 116.437 115.700 -0.023 0.000 2.617 111 S HA 0.030 4.499 4.470 -0.000 0.000 0.259 111 S C 1.364 175.980 174.600 0.026 0.000 1.301 111 S CA -0.461 57.739 58.200 0.001 0.000 0.984 111 S CB 0.275 63.477 63.200 0.004 0.000 0.954 111 S HN 0.401 nan 8.310 nan 0.000 0.572 112 Q N 0.438 120.262 119.800 0.040 0.000 2.084 112 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 112 Q C 2.064 178.130 176.000 0.109 0.000 0.978 112 Q CA 1.950 57.797 55.803 0.074 0.000 0.844 112 Q CB -0.748 28.022 28.738 0.053 0.000 0.898 112 Q HN 0.944 nan 8.270 nan 0.000 0.426 113 E N 0.387 120.634 120.200 0.079 0.000 2.085 113 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 113 E C 1.969 178.659 176.600 0.151 0.000 0.994 113 E CA 1.593 58.061 56.400 0.112 0.000 0.801 113 E CB -0.706 29.030 29.700 0.060 0.000 0.743 113 E HN 0.373 nan 8.360 nan 0.000 0.453 114 G N 0.688 109.537 108.800 0.081 0.000 2.418 114 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 114 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 114 G C 1.611 176.537 174.900 0.043 0.000 1.158 114 G CA 0.958 46.084 45.100 0.044 0.000 0.771 114 G HN 0.306 nan 8.290 nan 0.000 0.545 115 L N -0.984 120.276 121.223 0.062 0.000 2.042 115 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 115 L C 2.586 179.616 176.870 0.267 0.000 1.076 115 L CA 1.446 56.345 54.840 0.099 0.000 0.749 115 L CB -0.565 41.622 42.059 0.213 0.000 0.893 115 L HN 0.297 nan 8.230 nan 0.000 0.432 116 Y N 0.873 121.273 120.300 0.168 0.000 2.097 116 Y HA -0.297 4.253 4.550 -0.000 0.000 0.282 116 Y C 2.831 178.820 175.900 0.149 0.000 1.152 116 Y CA 1.677 59.881 58.100 0.174 0.000 1.136 116 Y CB -0.163 38.359 38.460 0.103 0.000 0.975 116 Y HN 0.157 nan 8.280 nan 0.000 0.498 117 Q N -0.881 118.970 119.800 0.085 0.000 2.079 117 Q HA -0.223 4.117 4.340 -0.000 0.000 0.200 117 Q C 2.185 178.158 176.000 -0.045 0.000 0.974 117 Q CA 1.912 57.703 55.803 -0.020 0.000 0.840 117 Q CB -0.890 27.894 28.738 0.077 0.000 0.898 117 Q HN 0.702 nan 8.270 nan 0.000 0.430 118 H N 0.184 119.170 119.070 -0.141 0.000 2.251 118 H HA -0.168 4.388 4.556 0.000 0.000 0.294 118 H C 1.628 176.830 175.328 -0.210 0.000 1.078 118 H CA 2.159 58.061 56.048 -0.244 0.000 1.246 118 H CB -0.285 29.208 29.762 -0.448 0.000 1.358 118 H HN 0.122 nan 8.280 nan 0.000 0.488 119 F N 0.752 120.689 119.950 -0.022 0.000 2.186 119 F HA -0.012 4.515 4.527 0.000 0.000 0.299 119 F C 2.683 178.384 175.800 -0.165 0.000 1.090 119 F CA 1.362 59.305 58.000 -0.094 0.000 1.307 119 F CB -0.506 38.510 39.000 0.026 0.000 1.019 119 F HN 0.181 nan 8.300 nan 0.000 0.489 120 K N 0.529 120.873 120.400 -0.093 0.000 2.032 120 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 120 K C 2.299 178.827 176.600 -0.120 0.000 1.048 120 K CA 1.338 57.501 56.287 -0.206 0.000 0.927 120 K CB -0.336 31.875 32.500 -0.481 0.000 0.712 120 K HN 0.188 nan 8.250 nan 0.000 0.441 121 A N 1.203 123.964 122.820 -0.100 0.000 1.908 121 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 121 A C 2.097 179.691 177.584 0.017 0.000 1.181 121 A CA 1.601 53.625 52.037 -0.022 0.000 0.627 121 A CB -0.569 18.415 19.000 -0.026 0.000 0.818 121 A HN 0.360 nan 8.150 nan 0.000 0.445 122 I N -0.393 120.142 120.570 -0.058 0.000 2.252 122 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 122 I C 2.926 179.051 176.117 0.013 0.000 1.102 122 I CA 1.054 62.338 61.300 -0.027 0.000 1.385 122 I CB -0.251 37.704 38.000 -0.075 0.000 1.064 122 I HN 0.347 nan 8.210 nan 0.000 0.414 123 A N 0.054 122.871 122.820 -0.005 0.000 1.969 123 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 123 A C 2.185 179.722 177.584 -0.078 0.000 1.169 123 A CA 1.502 53.527 52.037 -0.020 0.000 0.635 123 A CB -0.534 18.455 19.000 -0.018 0.000 0.810 123 A HN 0.411 nan 8.150 nan 0.000 0.445 124 E N -0.843 119.263 120.200 -0.156 0.000 2.153 124 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 124 E C 0.567 176.867 176.600 -0.500 0.000 0.988 124 E CA 1.013 57.200 56.400 -0.355 0.000 0.811 124 E CB -0.080 29.328 29.700 -0.487 0.000 0.746 124 E HN 0.702 nan 8.360 nan 0.000 0.466 125 H N -1.072 117.986 119.070 -0.020 0.000 2.503 125 H HA 0.245 4.801 4.556 -0.000 0.000 0.296 125 H C -0.270 175.053 175.328 -0.008 0.000 1.097 125 H CA 0.267 56.305 56.048 -0.018 0.000 1.055 125 H CB 0.576 30.320 29.762 -0.029 0.000 1.580 125 H HN -0.044 nan 8.280 nan 0.000 0.546 126 T N -0.617 113.954 114.554 0.028 0.000 2.840 126 T HA 0.115 4.465 4.350 -0.000 0.000 0.317 126 T C -0.098 174.609 174.700 0.012 0.000 1.401 126 T CA -0.596 61.526 62.100 0.036 0.000 1.028 126 T CB 1.714 70.614 68.868 0.053 0.000 1.317 126 T HN 0.019 nan 8.240 nan 0.000 0.495 127 D N 1.490 121.903 120.400 0.022 0.000 2.350 127 D HA 0.132 4.772 4.640 -0.000 0.000 0.213 127 D C 0.549 176.863 176.300 0.024 0.000 1.031 127 D CA 0.036 54.047 54.000 0.017 0.000 0.861 127 D CB 0.272 41.084 40.800 0.022 0.000 0.926 127 D HN 0.196 nan 8.370 nan 0.000 0.520 128 L N 2.192 123.437 121.223 0.036 0.000 2.453 128 L HA 0.174 4.514 4.340 -0.000 0.000 0.272 128 L C -2.010 174.863 176.870 0.006 0.000 1.182 128 L CA -1.828 53.038 54.840 0.042 0.000 0.858 128 L CB -0.164 41.935 42.059 0.068 0.000 1.120 128 L HN -0.246 nan 8.230 nan 0.000 0.474 129 P HA 0.001 nan 4.420 nan 0.000 0.264 129 P C -0.861 176.349 177.300 -0.150 0.000 1.183 129 P CA 0.109 63.133 63.100 -0.126 0.000 0.763 129 P CB 0.368 31.937 31.700 -0.217 0.000 0.807 130 Q N 2.895 122.597 119.800 -0.164 0.000 2.322 130 Q HA 0.457 4.797 4.340 -0.000 0.000 0.265 130 Q C -0.254 175.615 176.000 -0.218 0.000 0.985 130 Q CA -0.407 55.321 55.803 -0.127 0.000 0.849 130 Q CB 1.773 30.481 28.738 -0.050 0.000 1.274 130 Q HN 0.458 nan 8.270 nan 0.000 0.449 131 I N 3.564 124.015 120.570 -0.199 0.000 2.330 131 I HA 0.256 4.426 4.170 -0.000 0.000 0.289 131 I C 0.218 176.264 176.117 -0.119 0.000 1.001 131 I CA -0.547 60.620 61.300 -0.221 0.000 1.193 131 I CB 0.900 38.763 38.000 -0.229 0.000 1.345 131 I HN 0.314 nan 8.210 nan 0.000 0.461 132 L N 5.961 127.085 121.223 -0.166 0.000 2.473 132 L HA 0.146 4.486 4.340 -0.000 0.000 0.268 132 L C -0.690 176.210 176.870 0.050 0.000 1.215 132 L CA 0.018 54.733 54.840 -0.209 0.000 0.823 132 L CB 0.171 42.045 42.059 -0.309 0.000 1.099 132 L HN 0.480 nan 8.230 nan 0.000 0.483 133 Y N 2.446 122.730 120.300 -0.027 0.000 2.332 133 Y HA 0.366 4.916 4.550 0.000 0.000 0.325 133 Y C -1.047 174.921 175.900 0.113 0.000 1.054 133 Y CA -1.896 56.239 58.100 0.057 0.000 1.119 133 Y CB 1.319 39.833 38.460 0.090 0.000 1.168 133 Y HN 0.547 nan 8.280 nan 0.000 0.439 134 N N 4.171 123.065 118.700 0.324 0.000 2.424 134 N HA 0.536 5.276 4.740 -0.000 0.000 0.271 134 N C -1.789 173.787 175.510 0.109 0.000 0.985 134 N CA -0.204 52.936 53.050 0.150 0.000 0.921 134 N CB 1.597 40.175 38.487 0.151 0.000 1.149 134 N HN 0.432 nan 8.380 nan 0.000 0.492 135 V N 6.966 126.863 119.914 -0.029 0.000 2.811 135 V HA 0.368 4.488 4.120 -0.000 0.000 0.266 135 V C -2.067 174.014 176.094 -0.021 0.000 0.872 135 V CA -1.365 60.921 62.300 -0.023 0.000 0.992 135 V CB 1.428 33.208 31.823 -0.072 0.000 1.016 135 V HN 0.601 nan 8.190 nan 0.000 0.496 136 P HA -0.152 nan 4.420 nan 0.000 0.217 136 P C 1.882 179.190 177.300 0.013 0.000 1.148 136 P CA 2.176 65.286 63.100 0.017 0.000 0.828 136 P CB 0.165 31.879 31.700 0.024 0.000 0.783 137 S N -0.775 114.929 115.700 0.006 0.000 2.419 137 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 137 S C 1.931 176.536 174.600 0.008 0.000 1.016 137 S CA 0.895 59.098 58.200 0.005 0.000 0.974 137 S CB -0.757 62.439 63.200 -0.006 0.000 0.786 137 S HN 0.157 nan 8.310 nan 0.000 0.492 138 R N 0.598 121.098 120.500 -0.000 0.000 2.156 138 R HA 0.091 4.431 4.340 -0.000 0.000 0.207 138 R C 2.418 178.731 176.300 0.022 0.000 1.040 138 R CA 1.405 57.501 56.100 -0.007 0.000 1.013 138 R CB -0.261 30.012 30.300 -0.045 0.000 0.931 138 R HN 0.742 nan 8.270 nan 0.000 0.465 139 T N -4.045 110.534 114.554 0.041 0.000 3.015 139 T HA 0.183 4.533 4.350 -0.000 0.000 0.250 139 T C 1.482 176.238 174.700 0.094 0.000 1.057 139 T CA 0.576 62.742 62.100 0.109 0.000 1.066 139 T CB 0.846 69.769 68.868 0.092 0.000 0.959 139 T HN 0.304 nan 8.240 nan 0.000 0.488 140 G N 1.171 110.002 108.800 0.051 0.000 2.168 140 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.263 140 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.263 140 G C 0.364 175.271 174.900 0.011 0.000 0.977 140 G CA 0.453 45.568 45.100 0.026 0.000 0.659 140 G HN 1.547 nan 8.290 nan 0.000 0.533 141 C N -1.054 118.258 119.300 0.020 0.000 3.090 141 C HA 0.828 5.288 4.460 -0.000 0.000 0.305 141 C C -1.063 173.947 174.990 0.033 0.000 1.292 141 C CA -0.719 58.309 59.018 0.016 0.000 1.482 141 C CB 2.373 30.113 27.740 0.001 0.000 1.897 141 C HN 0.400 nan 8.230 nan 0.000 0.469 142 D N 2.437 122.860 120.400 0.039 0.000 2.469 142 D HA 0.378 5.018 4.640 -0.000 0.000 0.251 142 D C -0.856 175.486 176.300 0.070 0.000 1.173 142 D CA -0.178 53.853 54.000 0.052 0.000 0.882 142 D CB 1.474 42.297 40.800 0.039 0.000 1.129 142 D HN 0.739 nan 8.370 nan 0.000 0.549 143 L N 5.372 126.655 121.223 0.100 0.000 2.515 143 L HA 0.282 4.622 4.340 -0.000 0.000 0.281 143 L C -0.757 176.170 176.870 0.095 0.000 1.131 143 L CA 0.097 55.012 54.840 0.125 0.000 0.905 143 L CB -0.214 41.948 42.059 0.171 0.000 1.246 143 L HN 0.372 nan 8.230 nan 0.000 0.463 144 L N 7.410 128.678 121.223 0.075 0.000 2.436 144 L HA 0.275 4.615 4.340 -0.000 0.000 0.265 144 L C -1.074 175.823 176.870 0.045 0.000 1.168 144 L CA -1.612 53.260 54.840 0.052 0.000 0.815 144 L CB 0.104 42.184 42.059 0.035 0.000 1.109 144 L HN 0.435 nan 8.230 nan 0.000 0.462 145 P HA -0.233 nan 4.420 nan 0.000 0.216 145 P C 1.308 178.601 177.300 -0.012 0.000 1.154 145 P CA 1.197 64.302 63.100 0.009 0.000 0.865 145 P CB 0.194 31.893 31.700 -0.001 0.000 0.789 146 E N -0.938 119.256 120.200 -0.009 0.000 2.097 146 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 146 E C 1.423 178.014 176.600 -0.015 0.000 1.000 146 E CA 1.911 58.298 56.400 -0.021 0.000 0.804 146 E CB -0.343 29.345 29.700 -0.019 0.000 0.740 146 E HN 0.191 nan 8.360 nan 0.000 0.454 147 T N 0.155 114.721 114.554 0.020 0.000 2.942 147 T HA -0.060 4.290 4.350 -0.000 0.000 0.265 147 T C 1.940 176.688 174.700 0.081 0.000 1.062 147 T CA 0.925 63.064 62.100 0.066 0.000 1.139 147 T CB -0.029 68.908 68.868 0.115 0.000 0.883 147 T HN 0.022 nan 8.240 nan 0.000 0.468 148 V N 1.795 121.732 119.914 0.040 0.000 2.332 148 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 148 V C 2.885 178.911 176.094 -0.114 0.000 1.055 148 V CA 1.983 64.279 62.300 -0.006 0.000 1.038 148 V CB -1.445 30.376 31.823 -0.003 0.000 0.651 148 V HN 0.583 nan 8.190 nan 0.000 0.450 149 G N -0.327 108.404 108.800 -0.115 0.000 2.446 149 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 149 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 149 G C 1.757 176.605 174.900 -0.086 0.000 1.168 149 G CA 0.698 45.710 45.100 -0.146 0.000 0.771 149 G HN 0.368 nan 8.290 nan 0.000 0.551 150 R N -0.273 120.214 120.500 -0.022 0.000 2.073 150 R HA 0.041 4.381 4.340 -0.000 0.000 0.234 150 R C 2.703 179.111 176.300 0.181 0.000 1.134 150 R CA 1.016 57.140 56.100 0.038 0.000 0.952 150 R CB -0.627 29.658 30.300 -0.025 0.000 0.850 150 R HN 0.367 nan 8.270 nan 0.000 0.433 151 L N 0.089 121.432 121.223 0.200 0.000 2.141 151 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 151 L C 2.512 179.436 176.870 0.089 0.000 1.094 151 L CA 0.928 55.878 54.840 0.184 0.000 0.763 151 L CB -0.417 41.729 42.059 0.145 0.000 0.908 151 L HN 0.198 nan 8.230 nan 0.000 0.437 152 A N -0.145 122.663 122.820 -0.020 0.000 2.121 152 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 152 A C 2.185 179.776 177.584 0.012 0.000 1.154 152 A CA 1.196 53.194 52.037 -0.065 0.000 0.679 152 A CB -0.284 18.388 19.000 -0.546 0.000 0.795 152 A HN 0.334 nan 8.150 nan 0.000 0.458 153 K N -0.326 120.086 120.400 0.020 0.000 2.365 153 K HA 0.072 4.392 4.320 -0.000 0.000 0.199 153 K C -0.042 176.590 176.600 0.053 0.000 1.045 153 K CA 0.174 56.483 56.287 0.036 0.000 0.962 153 K CB -0.044 32.481 32.500 0.042 0.000 0.759 153 K HN 0.295 nan 8.250 nan 0.000 0.469 154 V N 2.112 122.065 119.914 0.065 0.000 2.521 154 V HA -0.098 4.022 4.120 -0.000 0.000 0.286 154 V C 1.488 177.605 176.094 0.038 0.000 1.034 154 V CA 0.100 62.425 62.300 0.042 0.000 1.045 154 V CB 1.208 33.044 31.823 0.023 0.000 0.974 154 V HN 0.134 nan 8.190 nan 0.000 0.480 155 K N 4.882 125.294 120.400 0.021 0.000 2.052 155 K HA -0.202 4.118 4.320 -0.000 0.000 0.215 155 K C 1.473 178.082 176.600 0.015 0.000 1.053 155 K CA 2.380 58.678 56.287 0.019 0.000 0.934 155 K CB -0.550 31.954 32.500 0.006 0.000 0.717 155 K HN 1.024 nan 8.250 nan 0.000 0.450 156 N N 0.056 118.755 118.700 -0.001 0.000 2.268 156 N HA 0.075 4.815 4.740 -0.000 0.000 0.204 156 N C 0.138 175.626 175.510 -0.037 0.000 1.124 156 N CA 0.063 53.100 53.050 -0.021 0.000 0.838 156 N CB -0.313 38.161 38.487 -0.022 0.000 0.994 156 N HN 0.448 nan 8.380 nan 0.000 0.489 157 I N 1.756 122.328 120.570 0.003 0.000 2.291 157 I HA 0.151 4.321 4.170 -0.000 0.000 0.292 157 I C 0.666 176.821 176.117 0.063 0.000 1.064 157 I CA -0.572 60.737 61.300 0.015 0.000 1.269 157 I CB 0.678 38.718 38.000 0.067 0.000 1.418 157 I HN 0.022 nan 8.210 nan 0.000 0.485 158 I N 2.357 122.825 120.570 -0.170 0.000 4.240 158 I HA 0.633 4.803 4.170 -0.000 0.000 0.331 158 I C 0.589 176.133 176.117 -0.955 0.000 1.381 158 I CA -0.163 60.934 61.300 -0.338 0.000 1.136 158 I CB 0.550 38.359 38.000 -0.317 0.000 1.137 158 I HN 0.458 nan 8.210 nan 0.000 0.411 159 G N 0.710 108.801 108.800 -1.183 0.000 2.430 159 G HA2 0.628 4.588 3.960 -0.000 0.000 0.300 159 G HA3 0.628 4.588 3.960 -0.000 0.000 0.300 159 G C -2.187 172.327 174.900 -0.642 0.000 1.330 159 G CA -0.532 43.738 45.100 -1.382 0.000 0.813 159 G HN 0.173 nan 8.290 nan 0.000 0.487 160 I N -0.212 120.178 120.570 -0.301 0.000 2.692 160 I HA 0.561 4.731 4.170 -0.000 0.000 0.293 160 I C -0.891 175.233 176.117 0.011 0.000 1.200 160 I CA -0.937 60.354 61.300 -0.015 0.000 1.036 160 I CB 2.127 40.252 38.000 0.210 0.000 1.258 160 I HN 0.476 nan 8.210 nan 0.000 0.421 161 K N 6.565 126.959 120.400 -0.010 0.000 2.250 161 K HA 0.233 4.553 4.320 -0.000 0.000 0.280 161 K C -0.653 175.988 176.600 0.069 0.000 1.098 161 K CA -0.347 55.895 56.287 -0.074 0.000 0.916 161 K CB 0.635 32.954 32.500 -0.302 0.000 1.209 161 K HN 0.417 nan 8.250 nan 0.000 0.461 162 E N 3.547 123.771 120.200 0.040 0.000 2.046 162 E HA 0.206 4.556 4.350 -0.000 0.000 0.279 162 E C -0.560 176.060 176.600 0.033 0.000 0.989 162 E CA -0.143 56.336 56.400 0.131 0.000 0.798 162 E CB 1.508 31.393 29.700 0.310 0.000 1.086 162 E HN 0.715 nan 8.360 nan 0.000 0.399 163 A N 3.042 125.925 122.820 0.105 0.000 2.465 163 A HA 0.034 4.354 4.320 -0.000 0.000 0.255 163 A C 1.588 179.198 177.584 0.043 0.000 1.274 163 A CA 0.377 52.452 52.037 0.062 0.000 0.920 163 A CB -0.193 18.922 19.000 0.192 0.000 1.033 163 A HN 0.546 nan 8.150 nan 0.000 0.516 164 T N -3.644 110.949 114.554 0.064 0.000 2.915 164 T HA 0.199 4.549 4.350 -0.000 0.000 0.269 164 T C 1.738 176.452 174.700 0.023 0.000 1.071 164 T CA 1.340 63.467 62.100 0.046 0.000 1.132 164 T CB -0.457 68.449 68.868 0.063 0.000 0.878 164 T HN 1.588 nan 8.240 nan 0.000 0.479 165 G N 1.664 110.484 108.800 0.033 0.000 2.162 165 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 165 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 165 G C 0.045 174.976 174.900 0.051 0.000 0.976 165 G CA 0.141 45.258 45.100 0.028 0.000 0.655 165 G HN 0.822 nan 8.290 nan 0.000 0.533 166 N N 0.612 119.352 118.700 0.067 0.000 2.469 166 N HA 0.458 5.198 4.740 -0.000 0.000 0.239 166 N C 1.528 177.078 175.510 0.067 0.000 1.053 166 N CA -0.486 52.595 53.050 0.053 0.000 0.937 166 N CB 0.477 38.989 38.487 0.042 0.000 1.163 166 N HN 0.204 nan 8.380 nan 0.000 0.509 167 L N 1.885 123.135 121.223 0.044 0.000 2.376 167 L HA -0.079 4.261 4.340 -0.000 0.000 0.219 167 L C 2.158 178.999 176.870 -0.049 0.000 1.133 167 L CA 1.037 55.885 54.840 0.014 0.000 0.816 167 L CB -0.511 41.547 42.059 -0.001 0.000 0.933 167 L HN 0.601 nan 8.230 nan 0.000 0.449 168 T N -3.162 111.375 114.554 -0.028 0.000 2.897 168 T HA -0.176 4.174 4.350 -0.000 0.000 0.271 168 T C 2.006 176.681 174.700 -0.043 0.000 1.084 168 T CA 0.618 62.694 62.100 -0.039 0.000 1.123 168 T CB -0.234 68.621 68.868 -0.022 0.000 0.865 168 T HN 0.182 nan 8.240 nan 0.000 0.496 169 R N 0.891 121.380 120.500 -0.018 0.000 2.148 169 R HA 0.086 4.426 4.340 -0.000 0.000 0.227 169 R C 2.522 178.792 176.300 -0.051 0.000 1.103 169 R CA 0.699 56.800 56.100 0.002 0.000 0.983 169 R CB -1.332 29.011 30.300 0.072 0.000 0.874 169 R HN 0.439 nan 8.270 nan 0.000 0.451 170 V N 2.150 121.961 119.914 -0.171 0.000 2.231 170 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 170 V C 1.939 177.929 176.094 -0.174 0.000 1.054 170 V CA 2.007 64.114 62.300 -0.322 0.000 1.015 170 V CB -0.441 31.027 31.823 -0.591 0.000 0.638 170 V HN 0.356 nan 8.190 nan 0.000 0.444 171 N N -0.785 117.831 118.700 -0.140 0.000 2.415 171 N HA -0.064 4.676 4.740 -0.000 0.000 0.176 171 N C 1.927 177.401 175.510 -0.060 0.000 1.042 171 N CA 0.600 53.595 53.050 -0.093 0.000 0.902 171 N CB 0.019 38.452 38.487 -0.090 0.000 0.986 171 N HN 0.608 nan 8.380 nan 0.000 0.447 172 Q N 0.658 120.427 119.800 -0.051 0.000 2.084 172 Q HA -0.014 4.326 4.340 -0.000 0.000 0.202 172 Q C 1.973 177.954 176.000 -0.033 0.000 0.978 172 Q CA 1.019 56.801 55.803 -0.035 0.000 0.844 172 Q CB 0.077 28.801 28.738 -0.023 0.000 0.898 172 Q HN 0.373 nan 8.270 nan 0.000 0.426 173 I N 0.495 121.051 120.570 -0.025 0.000 2.233 173 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 173 I C 2.464 178.558 176.117 -0.038 0.000 1.093 173 I CA 0.921 62.207 61.300 -0.024 0.000 1.380 173 I CB -0.214 37.809 38.000 0.038 0.000 1.067 173 I HN 0.116 nan 8.210 nan 0.000 0.413 174 K N 1.165 121.558 120.400 -0.012 0.000 2.113 174 K HA -0.287 4.033 4.320 -0.000 0.000 0.208 174 K C 1.989 178.579 176.600 -0.016 0.000 1.047 174 K CA 1.892 58.184 56.287 0.009 0.000 0.928 174 K CB -0.021 32.477 32.500 -0.002 0.000 0.716 174 K HN 0.080 nan 8.250 nan 0.000 0.446 175 E N -0.099 120.082 120.200 -0.032 0.000 2.204 175 E HA -0.105 4.244 4.350 -0.000 0.000 0.194 175 E C 1.102 177.674 176.600 -0.046 0.000 0.989 175 E CA 0.705 57.085 56.400 -0.033 0.000 0.824 175 E CB 0.151 29.831 29.700 -0.033 0.000 0.756 175 E HN 0.196 nan 8.360 nan 0.000 0.477 176 L N -0.599 120.583 121.223 -0.069 0.000 2.607 176 L HA 0.208 4.548 4.340 -0.000 0.000 0.228 176 L C 0.305 177.095 176.870 -0.134 0.000 1.123 176 L CA 0.070 54.855 54.840 -0.091 0.000 0.890 176 L CB 0.248 42.248 42.059 -0.098 0.000 1.103 176 L HN 0.013 nan 8.230 nan 0.000 0.468 177 V N -4.503 115.324 119.914 -0.144 0.000 3.141 177 V HA 0.799 4.919 4.120 -0.000 0.000 0.312 177 V C 0.234 176.286 176.094 -0.071 0.000 1.157 177 V CA -0.798 61.377 62.300 -0.209 0.000 1.041 177 V CB 1.487 33.003 31.823 -0.512 0.000 1.071 177 V HN 0.136 nan 8.190 nan 0.000 0.441 178 S N -0.209 115.474 115.700 -0.028 0.000 2.614 178 S HA 0.147 4.617 4.470 -0.000 0.000 0.265 178 S C 0.647 175.300 174.600 0.089 0.000 1.303 178 S CA 0.510 58.732 58.200 0.036 0.000 1.000 178 S CB 0.955 64.183 63.200 0.046 0.000 0.935 178 S HN 0.818 nan 8.310 nan 0.000 0.551 179 D N 0.508 120.953 120.400 0.074 0.000 2.263 179 D HA -0.064 4.576 4.640 -0.000 0.000 0.208 179 D C 0.994 177.346 176.300 0.087 0.000 0.971 179 D CA 1.417 55.471 54.000 0.089 0.000 0.867 179 D CB -0.610 40.229 40.800 0.065 0.000 0.929 179 D HN 0.906 nan 8.370 nan 0.000 0.492 180 D N -1.229 119.215 120.400 0.073 0.000 2.339 180 D HA 0.029 4.669 4.640 -0.000 0.000 0.217 180 D C 0.312 176.627 176.300 0.024 0.000 1.050 180 D CA -0.474 53.540 54.000 0.023 0.000 0.856 180 D CB -0.783 40.027 40.800 0.017 0.000 0.922 180 D HN 0.315 nan 8.370 nan 0.000 0.518 181 F N 1.665 121.583 119.950 -0.052 0.000 2.543 181 F HA 0.192 4.719 4.527 -0.000 0.000 0.375 181 F C 0.071 175.828 175.800 -0.072 0.000 1.075 181 F CA -0.552 57.419 58.000 -0.048 0.000 1.225 181 F CB 0.712 39.709 39.000 -0.006 0.000 1.099 181 F HN -0.270 nan 8.300 nan 0.000 0.561 182 V N 7.289 126.926 119.914 -0.461 0.000 2.498 182 V HA 0.199 4.319 4.120 -0.000 0.000 0.279 182 V C -0.306 175.774 176.094 -0.024 0.000 1.048 182 V CA -0.741 61.391 62.300 -0.279 0.000 0.967 182 V CB 1.019 32.684 31.823 -0.264 0.000 0.988 182 V HN 0.377 nan 8.190 nan 0.000 0.473 183 L N 6.563 128.063 121.223 0.461 0.000 2.298 183 L HA 0.572 4.912 4.340 -0.000 0.000 0.284 183 L C -0.436 176.730 176.870 0.493 0.000 1.013 183 L CA -0.514 54.597 54.840 0.452 0.000 0.824 183 L CB 1.163 43.458 42.059 0.394 0.000 1.221 183 L HN 0.368 nan 8.230 nan 0.000 0.418 184 L N 1.888 123.275 121.223 0.274 0.000 2.385 184 L HA 0.485 4.825 4.340 -0.000 0.000 0.273 184 L C 0.384 176.961 176.870 -0.488 0.000 0.990 184 L CA -0.210 54.626 54.840 -0.007 0.000 0.821 184 L CB 1.953 43.982 42.059 -0.051 0.000 1.279 184 L HN 0.617 nan 8.230 nan 0.000 0.412 185 S N 1.398 116.532 115.700 -0.944 0.000 2.564 185 S HA 0.504 4.974 4.470 -0.000 0.000 0.278 185 S C 0.840 175.127 174.600 -0.521 0.000 1.333 185 S CA 0.199 57.674 58.200 -1.208 0.000 1.048 185 S CB 0.829 63.434 63.200 -0.992 0.000 0.900 185 S HN 0.833 nan 8.310 nan 0.000 0.505 186 G N 2.328 110.898 108.800 -0.383 0.000 3.899 186 G HA2 0.272 4.232 3.960 -0.000 0.000 0.293 186 G HA3 0.272 4.232 3.960 -0.000 0.000 0.293 186 G C -0.648 174.165 174.900 -0.144 0.000 1.054 186 G CA -0.355 44.622 45.100 -0.206 0.000 0.846 186 G HN 0.692 nan 8.290 nan 0.000 0.525 187 D N -0.360 119.920 120.400 -0.200 0.000 2.358 187 D HA 0.217 4.856 4.640 -0.000 0.000 0.253 187 D C 0.682 176.864 176.300 -0.196 0.000 1.288 187 D CA -0.510 53.383 54.000 -0.179 0.000 0.950 187 D CB 1.084 41.797 40.800 -0.145 0.000 1.197 187 D HN -0.124 nan 8.370 nan 0.000 0.550 188 D N 2.367 122.662 120.400 -0.174 0.000 2.133 188 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 188 D C 1.724 177.700 176.300 -0.540 0.000 0.997 188 D CA 1.228 55.040 54.000 -0.314 0.000 0.840 188 D CB 0.265 40.991 40.800 -0.124 0.000 0.947 188 D HN 0.545 nan 8.370 nan 0.000 0.452 189 A N 0.695 123.359 122.820 -0.260 0.000 2.015 189 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 189 A C 2.121 179.655 177.584 -0.082 0.000 1.163 189 A CA 1.734 53.701 52.037 -0.118 0.000 0.646 189 A CB -0.113 18.895 19.000 0.013 0.000 0.806 189 A HN 0.289 nan 8.150 nan 0.000 0.448 190 S N -1.643 114.002 115.700 -0.092 0.000 2.554 190 S HA 0.533 5.003 4.470 -0.000 0.000 0.226 190 S C 1.545 176.146 174.600 0.001 0.000 0.980 190 S CA 0.584 58.771 58.200 -0.022 0.000 0.939 190 S CB 0.191 63.397 63.200 0.009 0.000 0.832 190 S HN 0.655 nan 8.310 nan 0.000 0.486 191 A N 1.970 124.739 122.820 -0.085 0.000 1.930 191 A HA 0.104 4.423 4.320 -0.000 0.000 0.217 191 A C 2.055 179.677 177.584 0.064 0.000 1.175 191 A CA 1.371 53.370 52.037 -0.064 0.000 0.627 191 A CB -0.715 18.190 19.000 -0.158 0.000 0.815 191 A HN 0.527 nan 8.150 nan 0.000 0.443 192 L N 0.205 121.460 121.223 0.053 0.000 2.056 192 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 192 L C 1.589 178.506 176.870 0.080 0.000 1.078 192 L CA 2.383 57.285 54.840 0.103 0.000 0.749 192 L CB -0.754 41.377 42.059 0.120 0.000 0.901 192 L HN 0.332 nan 8.230 nan 0.000 0.433 193 D N -0.886 119.545 120.400 0.051 0.000 2.123 193 D HA -0.265 4.375 4.640 -0.000 0.000 0.196 193 D C 2.053 178.364 176.300 0.018 0.000 0.992 193 D CA 1.521 55.521 54.000 0.000 0.000 0.833 193 D CB -0.370 40.436 40.800 0.009 0.000 0.954 193 D HN 0.393 nan 8.370 nan 0.000 0.455 194 F N 1.006 120.918 119.950 -0.063 0.000 2.095 194 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 194 F C 2.449 178.209 175.800 -0.067 0.000 1.104 194 F CA 1.385 59.350 58.000 -0.058 0.000 1.232 194 F CB -0.215 38.761 39.000 -0.040 0.000 0.987 194 F HN -0.153 nan 8.300 nan 0.000 0.475 195 M N -0.350 119.400 119.600 0.251 0.000 2.117 195 M HA -0.270 4.210 4.480 -0.000 0.000 0.262 195 M C 2.347 178.659 176.300 0.020 0.000 1.065 195 M CA 1.988 57.376 55.300 0.147 0.000 1.114 195 M CB -0.673 32.051 32.600 0.207 0.000 1.361 195 M HN 0.287 nan 8.290 nan 0.000 0.408 196 Q N 0.838 120.562 119.800 -0.126 0.000 2.170 196 Q HA -0.139 4.201 4.340 -0.000 0.000 0.203 196 Q C 1.700 177.460 176.000 -0.401 0.000 0.976 196 Q CA 1.198 56.640 55.803 -0.602 0.000 0.858 196 Q CB -0.052 28.173 28.738 -0.855 0.000 0.907 196 Q HN 0.529 nan 8.270 nan 0.000 0.433 197 L N -1.455 119.605 121.223 -0.272 0.000 2.552 197 L HA 0.125 4.465 4.340 -0.000 0.000 0.227 197 L C 1.231 177.961 176.870 -0.234 0.000 1.146 197 L CA 0.674 55.365 54.840 -0.247 0.000 0.858 197 L CB 0.299 42.203 42.059 -0.259 0.000 0.969 197 L HN 0.557 nan 8.230 nan 0.000 0.451 198 G N -1.316 107.349 108.800 -0.226 0.000 2.485 198 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.181 198 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.181 198 G C 0.588 175.256 174.900 -0.387 0.000 0.999 198 G CA -0.406 44.552 45.100 -0.237 0.000 0.721 198 G HN 0.396 nan 8.290 nan 0.000 0.486 199 G N -0.648 107.944 108.800 -0.347 0.000 2.614 199 G HA2 0.442 4.402 3.960 -0.000 0.000 0.239 199 G HA3 0.442 4.402 3.960 -0.000 0.000 0.239 199 G C 0.305 175.101 174.900 -0.174 0.000 1.240 199 G CA 0.255 45.253 45.100 -0.170 0.000 0.842 199 G HN 0.437 nan 8.290 nan 0.000 0.584 200 H N -0.404 118.794 119.070 0.213 0.000 2.652 200 H HA 0.417 4.973 4.556 -0.000 0.000 0.274 200 H C 1.245 176.640 175.328 0.112 0.000 1.021 200 H CA 0.639 56.767 56.048 0.133 0.000 1.187 200 H CB 0.964 30.787 29.762 0.101 0.000 1.505 200 H HN 0.880 nan 8.280 nan 0.000 0.530 201 G N -0.515 108.407 108.800 0.203 0.000 2.333 201 G HA2 0.310 4.270 3.960 -0.000 0.000 0.288 201 G HA3 0.310 4.270 3.960 -0.000 0.000 0.288 201 G C -1.972 172.944 174.900 0.026 0.000 1.286 201 G CA -0.086 45.080 45.100 0.110 0.000 0.865 201 G HN 0.161 nan 8.290 nan 0.000 0.506 202 V N -0.142 119.756 119.914 -0.027 0.000 2.851 202 V HA 0.688 4.808 4.120 -0.000 0.000 0.307 202 V C -1.122 174.916 176.094 -0.094 0.000 1.129 202 V CA -0.865 61.369 62.300 -0.111 0.000 0.932 202 V CB 1.693 33.456 31.823 -0.100 0.000 1.024 202 V HN 0.792 nan 8.190 nan 0.000 0.426 203 I N 5.638 126.124 120.570 -0.139 0.000 2.291 203 I HA 0.437 4.607 4.170 -0.000 0.000 0.290 203 I C 0.238 176.296 176.117 -0.098 0.000 1.050 203 I CA 0.217 61.441 61.300 -0.125 0.000 1.245 203 I CB 1.459 39.349 38.000 -0.184 0.000 1.405 203 I HN 0.645 nan 8.210 nan 0.000 0.478 204 S N 4.596 120.267 115.700 -0.048 0.000 2.482 204 S HA 0.437 4.907 4.470 -0.000 0.000 0.303 204 S C 0.701 175.328 174.600 0.044 0.000 1.091 204 S CA -0.688 57.516 58.200 0.005 0.000 1.057 204 S CB 1.869 65.086 63.200 0.029 0.000 1.031 204 S HN 0.353 nan 8.310 nan 0.000 0.485 205 V N 4.354 124.328 119.914 0.100 0.000 2.500 205 V HA -0.038 4.082 4.120 -0.000 0.000 0.243 205 V C 2.499 178.655 176.094 0.102 0.000 1.039 205 V CA 1.962 64.320 62.300 0.097 0.000 1.053 205 V CB -1.086 30.812 31.823 0.126 0.000 0.695 205 V HN 0.948 nan 8.190 nan 0.000 0.463 206 T N 1.162 115.813 114.554 0.162 0.000 2.699 206 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 206 T C 2.040 176.838 174.700 0.164 0.000 1.036 206 T CA 1.731 63.941 62.100 0.183 0.000 1.147 206 T CB -0.513 68.550 68.868 0.324 0.000 0.862 206 T HN 0.554 nan 8.240 nan 0.000 0.446 207 A N 2.169 125.086 122.820 0.162 0.000 2.084 207 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 207 A C 2.195 179.963 177.584 0.307 0.000 1.161 207 A CA 1.389 53.539 52.037 0.189 0.000 0.653 207 A CB -0.670 18.409 19.000 0.131 0.000 0.802 207 A HN 0.497 nan 8.150 nan 0.000 0.457 208 N N -0.299 118.546 118.700 0.242 0.000 2.289 208 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 208 N C 1.498 177.150 175.510 0.236 0.000 1.016 208 N CA 2.109 55.334 53.050 0.291 0.000 0.872 208 N CB 0.031 38.598 38.487 0.134 0.000 0.973 208 N HN 0.645 nan 8.380 nan 0.000 0.433 209 V N -4.334 115.680 119.914 0.166 0.000 3.548 209 V HA 0.562 4.682 4.120 -0.000 0.000 0.279 209 V C 0.673 176.856 176.094 0.148 0.000 1.446 209 V CA 0.148 62.495 62.300 0.078 0.000 1.023 209 V CB 0.533 32.356 31.823 -0.000 0.000 0.820 209 V HN 0.054 nan 8.190 nan 0.000 0.438 210 A N 0.263 123.189 122.820 0.177 0.000 3.105 210 A HA 0.886 5.206 4.320 -0.000 0.000 0.297 210 A C 1.462 179.124 177.584 0.131 0.000 0.977 210 A CA 0.464 52.586 52.037 0.141 0.000 1.020 210 A CB 0.288 19.344 19.000 0.093 0.000 1.098 210 A HN 0.768 nan 8.150 nan 0.000 0.497 211 A N 0.717 123.620 122.820 0.138 0.000 1.877 211 A HA -0.164 4.155 4.320 -0.000 0.000 0.216 211 A C 2.127 179.690 177.584 -0.035 0.000 1.186 211 A CA 1.793 53.838 52.037 0.012 0.000 0.620 211 A CB -0.376 18.434 19.000 -0.316 0.000 0.822 211 A HN 0.634 nan 8.150 nan 0.000 0.443 212 R N -0.660 119.802 120.500 -0.064 0.000 2.075 212 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 212 R C 1.479 177.779 176.300 0.001 0.000 1.126 212 R CA 1.737 57.809 56.100 -0.047 0.000 0.963 212 R CB -0.322 29.950 30.300 -0.048 0.000 0.858 212 R HN 0.412 nan 8.270 nan 0.000 0.435 213 D N 0.054 120.470 120.400 0.026 0.000 2.117 213 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 213 D C 1.914 178.250 176.300 0.060 0.000 0.987 213 D CA 1.078 55.103 54.000 0.042 0.000 0.829 213 D CB -0.010 40.820 40.800 0.050 0.000 0.961 213 D HN 0.203 nan 8.370 nan 0.000 0.460 214 M N 0.460 120.104 119.600 0.072 0.000 2.117 214 M HA -0.072 4.408 4.480 -0.000 0.000 0.262 214 M C 2.301 178.637 176.300 0.060 0.000 1.065 214 M CA 0.804 56.157 55.300 0.088 0.000 1.114 214 M CB -1.061 31.602 32.600 0.105 0.000 1.361 214 M HN -0.040 nan 8.290 nan 0.000 0.408 215 A N -0.276 122.565 122.820 0.036 0.000 1.883 215 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 215 A C 2.114 179.712 177.584 0.024 0.000 1.186 215 A CA 2.172 54.220 52.037 0.019 0.000 0.624 215 A CB -0.810 18.186 19.000 -0.006 0.000 0.822 215 A HN 0.505 nan 8.150 nan 0.000 0.444 216 Q N -0.650 119.165 119.800 0.025 0.000 2.079 216 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 216 Q C 2.060 178.087 176.000 0.045 0.000 0.974 216 Q CA 2.139 57.959 55.803 0.028 0.000 0.840 216 Q CB -0.401 28.351 28.738 0.023 0.000 0.898 216 Q HN 0.663 nan 8.270 nan 0.000 0.430 217 M N -0.901 118.735 119.600 0.060 0.000 2.080 217 M HA -0.232 4.248 4.480 -0.000 0.000 0.260 217 M C 1.911 178.259 176.300 0.080 0.000 1.068 217 M CA 1.970 57.318 55.300 0.081 0.000 1.109 217 M CB -0.264 32.400 32.600 0.106 0.000 1.342 217 M HN 0.438 nan 8.290 nan 0.000 0.405 218 C N 0.144 119.486 119.300 0.071 0.000 2.435 218 C HA -0.115 4.345 4.460 -0.000 0.000 0.279 218 C C 2.660 177.680 174.990 0.050 0.000 1.321 218 C CA 1.104 60.163 59.018 0.069 0.000 1.752 218 C CB -1.064 26.711 27.740 0.059 0.000 1.959 218 C HN 0.599 nan 8.230 nan 0.000 0.500 219 K N 0.816 121.237 120.400 0.035 0.000 2.025 219 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 219 K C 1.920 178.522 176.600 0.003 0.000 1.049 219 K CA 1.248 57.545 56.287 0.018 0.000 0.933 219 K CB -0.253 32.258 32.500 0.018 0.000 0.714 219 K HN 0.419 nan 8.250 nan 0.000 0.438 220 L N 0.649 121.886 121.223 0.024 0.000 2.042 220 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 220 L C 2.636 179.438 176.870 -0.114 0.000 1.076 220 L CA 1.394 56.248 54.840 0.024 0.000 0.749 220 L CB -0.603 41.496 42.059 0.066 0.000 0.893 220 L HN 0.319 nan 8.230 nan 0.000 0.432 221 A N -0.001 122.793 122.820 -0.044 0.000 1.877 221 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 221 A C 2.541 180.057 177.584 -0.113 0.000 1.186 221 A CA 1.783 53.800 52.037 -0.032 0.000 0.620 221 A CB -0.807 18.315 19.000 0.203 0.000 0.822 221 A HN 0.403 nan 8.150 nan 0.000 0.443 222 A N -0.222 122.572 122.820 -0.044 0.000 1.978 222 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 222 A C 1.793 179.292 177.584 -0.142 0.000 1.170 222 A CA 1.666 53.681 52.037 -0.036 0.000 0.636 222 A CB -0.480 18.525 19.000 0.008 0.000 0.810 222 A HN 0.662 nan 8.150 nan 0.000 0.448 223 E N -1.732 118.314 120.200 -0.257 0.000 2.502 223 E HA 0.265 4.615 4.350 -0.000 0.000 0.194 223 E C 1.118 177.251 176.600 -0.778 0.000 1.062 223 E CA 0.281 56.422 56.400 -0.431 0.000 0.867 223 E CB -0.063 29.400 29.700 -0.395 0.000 0.888 223 E HN 0.744 nan 8.360 nan 0.000 0.510 224 G N 1.583 109.887 108.800 -0.827 0.000 2.157 224 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.248 224 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.248 224 G C -0.124 174.098 174.900 -1.130 0.000 0.979 224 G CA -0.020 44.430 45.100 -1.083 0.000 0.650 224 G HN 0.499 nan 8.290 nan 0.000 0.529 225 H N 0.002 118.672 119.070 -0.667 0.000 2.680 225 H HA 0.446 5.002 4.556 -0.000 0.000 0.224 225 H C 1.246 176.409 175.328 -0.274 0.000 1.866 225 H CA -0.815 55.021 56.048 -0.353 0.000 1.302 225 H CB -0.138 29.514 29.762 -0.184 0.000 1.709 225 H HN 0.277 nan 8.280 nan 0.000 0.537 226 F N 0.707 120.721 119.950 0.105 0.000 2.206 226 F HA -0.105 4.422 4.527 0.000 0.000 0.298 226 F C 2.469 178.312 175.800 0.070 0.000 1.090 226 F CA 0.820 58.861 58.000 0.069 0.000 1.323 226 F CB -0.390 38.635 39.000 0.042 0.000 1.028 226 F HN 0.512 nan 8.300 nan 0.000 0.492 227 A N 0.033 122.988 122.820 0.226 0.000 1.933 227 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 227 A C 2.039 179.687 177.584 0.107 0.000 1.175 227 A CA 1.751 53.875 52.037 0.145 0.000 0.628 227 A CB -0.655 18.409 19.000 0.107 0.000 0.814 227 A HN 0.317 nan 8.150 nan 0.000 0.444 228 E N 0.061 120.316 120.200 0.091 0.000 2.072 228 E HA 0.016 4.366 4.350 -0.000 0.000 0.191 228 E C 2.236 178.884 176.600 0.079 0.000 0.985 228 E CA 1.277 57.713 56.400 0.060 0.000 0.801 228 E CB -0.448 29.269 29.700 0.028 0.000 0.750 228 E HN 0.563 nan 8.360 nan 0.000 0.452 229 A N 0.734 123.618 122.820 0.107 0.000 1.933 229 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 229 A C 2.131 179.793 177.584 0.130 0.000 1.175 229 A CA 1.709 53.819 52.037 0.121 0.000 0.628 229 A CB -0.419 18.673 19.000 0.153 0.000 0.814 229 A HN 0.095 nan 8.150 nan 0.000 0.444 230 R N -0.537 120.047 120.500 0.140 0.000 2.115 230 R HA -0.050 4.290 4.340 -0.000 0.000 0.230 230 R C 1.842 178.203 176.300 0.102 0.000 1.111 230 R CA 1.335 57.511 56.100 0.127 0.000 0.976 230 R CB -0.350 30.024 30.300 0.123 0.000 0.870 230 R HN 0.310 nan 8.270 nan 0.000 0.445 231 V N 0.956 120.921 119.914 0.085 0.000 2.287 231 V HA -0.285 3.834 4.120 -0.000 0.000 0.248 231 V C 2.209 178.345 176.094 0.069 0.000 1.053 231 V CA 1.973 64.313 62.300 0.067 0.000 1.027 231 V CB -0.364 31.488 31.823 0.048 0.000 0.646 231 V HN 0.332 nan 8.190 nan 0.000 0.447 232 I N 0.180 120.793 120.570 0.073 0.000 2.179 232 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 232 I C 2.493 178.664 176.117 0.090 0.000 1.088 232 I CA 1.912 63.255 61.300 0.072 0.000 1.357 232 I CB -0.634 37.410 38.000 0.073 0.000 1.051 232 I HN 0.415 nan 8.210 nan 0.000 0.409 233 N N 0.469 119.242 118.700 0.122 0.000 2.104 233 N HA -0.240 4.500 4.740 -0.000 0.000 0.190 233 N C 1.934 177.516 175.510 0.121 0.000 1.024 233 N CA 1.232 54.380 53.050 0.164 0.000 0.853 233 N CB 0.107 38.707 38.487 0.187 0.000 1.008 233 N HN 0.357 nan 8.380 nan 0.000 0.424 234 Q N 0.730 120.596 119.800 0.111 0.000 2.124 234 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 234 Q C 2.040 178.137 176.000 0.162 0.000 0.977 234 Q CA 1.177 57.050 55.803 0.115 0.000 0.850 234 Q CB -0.247 28.556 28.738 0.108 0.000 0.901 234 Q HN 0.611 nan 8.270 nan 0.000 0.429 235 R N -0.156 120.433 120.500 0.147 0.000 2.193 235 R HA 0.014 4.354 4.340 -0.000 0.000 0.213 235 R C 1.811 178.213 176.300 0.170 0.000 1.055 235 R CA 0.750 56.977 56.100 0.213 0.000 0.995 235 R CB -0.285 30.056 30.300 0.069 0.000 0.893 235 R HN 0.161 nan 8.270 nan 0.000 0.459 236 L N 0.105 121.319 121.223 -0.015 0.000 2.509 236 L HA 0.137 4.477 4.340 -0.000 0.000 0.222 236 L C 2.223 178.801 176.870 -0.487 0.000 1.123 236 L CA -0.071 54.616 54.840 -0.254 0.000 0.856 236 L CB -0.164 41.662 42.059 -0.388 0.000 0.985 236 L HN 0.208 nan 8.230 nan 0.000 0.456 237 M N 1.202 120.659 119.600 -0.239 0.000 2.117 237 M HA -0.051 4.429 4.480 -0.000 0.000 0.262 237 M C -0.721 175.524 176.300 -0.091 0.000 1.065 237 M CA 2.039 57.281 55.300 -0.095 0.000 1.114 237 M CB -1.070 31.551 32.600 0.035 0.000 1.361 237 M HN -0.092 nan 8.290 nan 0.000 0.408 238 P HA -0.171 nan 4.420 nan 0.000 0.215 238 P C 1.662 178.929 177.300 -0.055 0.000 1.157 238 P CA 1.090 64.094 63.100 -0.160 0.000 0.874 238 P CB -0.195 31.307 31.700 -0.330 0.000 0.790 239 L N -1.139 120.038 121.223 -0.077 0.000 2.046 239 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 239 L C 2.343 179.261 176.870 0.081 0.000 1.077 239 L CA 2.004 56.832 54.840 -0.019 0.000 0.747 239 L CB -1.650 40.376 42.059 -0.056 0.000 0.896 239 L HN 0.108 nan 8.230 nan 0.000 0.432 240 H N -0.629 118.501 119.070 0.100 0.000 2.352 240 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 240 H C 2.097 177.575 175.328 0.249 0.000 1.097 240 H CA 1.856 58.002 56.048 0.164 0.000 1.311 240 H CB -0.481 29.347 29.762 0.109 0.000 1.377 240 H HN 0.509 nan 8.280 nan 0.000 0.504 241 N N 0.088 118.956 118.700 0.281 0.000 2.220 241 N HA -0.075 4.665 4.740 -0.000 0.000 0.182 241 N C 1.687 177.347 175.510 0.250 0.000 1.023 241 N CA 0.486 53.678 53.050 0.236 0.000 0.856 241 N CB 0.267 38.825 38.487 0.118 0.000 0.997 241 N HN 0.035 nan 8.380 nan 0.000 0.429 242 K N 0.979 121.462 120.400 0.139 0.000 2.366 242 K HA 0.100 4.420 4.320 -0.000 0.000 0.198 242 K C 1.455 178.070 176.600 0.025 0.000 1.044 242 K CA 0.303 56.635 56.287 0.075 0.000 0.973 242 K CB -0.199 32.319 32.500 0.031 0.000 0.767 242 K HN 0.293 nan 8.250 nan 0.000 0.475 243 L N -0.046 121.167 121.223 -0.018 0.000 2.642 243 L HA -0.055 4.284 4.340 -0.000 0.000 0.236 243 L C 0.626 177.113 176.870 -0.638 0.000 1.169 243 L CA 0.787 55.455 54.840 -0.285 0.000 0.851 243 L CB -0.296 41.553 42.059 -0.349 0.000 0.968 243 L HN 0.017 nan 8.230 nan 0.000 0.453 244 F N -3.153 116.820 119.950 0.039 0.000 2.735 244 F HA 0.136 4.663 4.527 -0.000 0.000 0.308 244 F C 1.494 177.302 175.800 0.015 0.000 1.112 244 F CA -0.126 57.891 58.000 0.028 0.000 1.235 244 F CB -0.012 39.006 39.000 0.029 0.000 1.027 244 F HN -0.282 nan 8.300 nan 0.000 0.528 245 V N 0.064 120.033 119.914 0.090 0.000 2.407 245 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 245 V C 0.880 176.991 176.094 0.029 0.000 1.055 245 V CA 1.942 64.272 62.300 0.051 0.000 1.049 245 V CB -0.045 31.782 31.823 0.007 0.000 0.662 245 V HN 0.287 nan 8.190 nan 0.000 0.455 246 E N -0.586 119.619 120.200 0.008 0.000 2.359 246 E HA 0.407 4.757 4.350 -0.000 0.000 0.266 246 E C -2.716 173.895 176.600 0.019 0.000 0.920 246 E CA -2.488 53.914 56.400 0.004 0.000 0.788 246 E CB 1.531 31.213 29.700 -0.029 0.000 1.279 246 E HN 0.092 nan 8.360 nan 0.000 0.438 247 P HA -0.088 nan 4.420 nan 0.000 0.264 247 P C -0.672 176.640 177.300 0.019 0.000 1.193 247 P CA 0.254 63.383 63.100 0.049 0.000 0.763 247 P CB 0.268 31.988 31.700 0.034 0.000 0.810 248 N N 4.918 123.644 118.700 0.044 0.000 2.454 248 N HA -0.005 4.735 4.740 -0.000 0.000 0.260 248 N C -1.595 173.918 175.510 0.005 0.000 1.218 248 N CA -0.947 52.084 53.050 -0.032 0.000 0.904 248 N CB 0.510 39.025 38.487 0.046 0.000 1.065 248 N HN 0.256 nan 8.380 nan 0.000 0.462 249 P HA 0.186 nan 4.420 nan 0.000 0.254 249 P C 1.026 178.309 177.300 -0.028 0.000 1.620 249 P CA -0.052 63.023 63.100 -0.041 0.000 1.050 249 P CB 0.099 31.786 31.700 -0.021 0.000 1.539 250 I N 1.317 121.874 120.570 -0.022 0.000 2.099 250 I HA -0.170 4.000 4.170 -0.000 0.000 0.239 250 I C -0.537 175.599 176.117 0.031 0.000 1.066 250 I CA 1.808 63.111 61.300 0.004 0.000 1.324 250 I CB -1.972 36.024 38.000 -0.006 0.000 1.037 250 I HN 0.058 nan 8.210 nan 0.000 0.401 251 P HA -0.157 nan 4.420 nan 0.000 0.215 251 P C 1.980 179.331 177.300 0.085 0.000 1.153 251 P CA 1.172 64.293 63.100 0.035 0.000 0.853 251 P CB 0.017 31.681 31.700 -0.059 0.000 0.788 252 V N -0.199 119.706 119.914 -0.015 0.000 2.548 252 V HA -0.189 3.931 4.120 -0.000 0.000 0.249 252 V C 2.100 178.199 176.094 0.009 0.000 1.055 252 V CA 1.805 64.097 62.300 -0.014 0.000 1.065 252 V CB -0.798 30.987 31.823 -0.064 0.000 0.681 252 V HN 0.027 nan 8.190 nan 0.000 0.462 253 K N -1.280 119.135 120.400 0.024 0.000 2.057 253 K HA -0.231 4.089 4.320 -0.000 0.000 0.206 253 K C 1.846 178.464 176.600 0.029 0.000 1.050 253 K CA 2.014 58.311 56.287 0.018 0.000 0.935 253 K CB -0.345 32.171 32.500 0.027 0.000 0.715 253 K HN 0.706 nan 8.250 nan 0.000 0.439 254 W N 1.512 122.781 121.300 -0.052 0.000 2.358 254 W HA -0.194 4.466 4.660 0.000 0.000 0.303 254 W C 2.097 178.587 176.519 -0.049 0.000 1.208 254 W CA 2.012 59.330 57.345 -0.046 0.000 1.274 254 W CB -0.334 29.101 29.460 -0.042 0.000 1.138 254 W HN 0.064 nan 8.180 nan 0.000 0.515 255 A N -0.159 122.637 122.820 -0.039 0.000 1.883 255 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 255 A C 2.006 179.410 177.584 -0.299 0.000 1.186 255 A CA 2.099 54.013 52.037 -0.205 0.000 0.624 255 A CB -1.555 17.446 19.000 0.003 0.000 0.822 255 A HN 0.430 nan 8.150 nan 0.000 0.444 256 C N -0.691 118.486 119.300 -0.205 0.000 2.413 256 C HA -0.095 4.365 4.460 -0.000 0.000 0.276 256 C C 2.711 177.540 174.990 -0.269 0.000 1.248 256 C CA 1.330 60.219 59.018 -0.215 0.000 1.742 256 C CB -0.974 26.680 27.740 -0.144 0.000 2.017 256 C HN 0.687 nan 8.230 nan 0.000 0.481 257 K N 0.920 121.136 120.400 -0.307 0.000 2.026 257 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 257 K C 1.999 178.353 176.600 -0.409 0.000 1.048 257 K CA 1.913 58.008 56.287 -0.320 0.000 0.929 257 K CB -0.266 32.052 32.500 -0.305 0.000 0.713 257 K HN 0.394 nan 8.250 nan 0.000 0.439 258 E N 0.472 120.279 120.200 -0.655 0.000 2.153 258 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 258 E C 1.629 178.013 176.600 -0.360 0.000 0.988 258 E CA 0.837 56.861 56.400 -0.628 0.000 0.811 258 E CB -0.017 29.051 29.700 -1.053 0.000 0.746 258 E HN 0.159 nan 8.360 nan 0.000 0.466 259 L N -0.817 120.213 121.223 -0.321 0.000 2.492 259 L HA 0.244 4.584 4.340 -0.000 0.000 0.223 259 L C 1.651 178.396 176.870 -0.209 0.000 1.132 259 L CA 1.367 56.066 54.840 -0.235 0.000 0.850 259 L CB -0.363 41.552 42.059 -0.240 0.000 0.966 259 L HN 0.384 nan 8.230 nan 0.000 0.454 260 G N -1.275 107.397 108.800 -0.213 0.000 2.141 260 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.242 260 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.242 260 G C 1.126 175.923 174.900 -0.172 0.000 0.982 260 G CA 0.539 45.537 45.100 -0.169 0.000 0.662 260 G HN 0.366 nan 8.290 nan 0.000 0.527 261 L N -0.293 120.799 121.223 -0.217 0.000 2.240 261 L HA 0.279 4.619 4.340 -0.000 0.000 0.211 261 L C 1.565 178.341 176.870 -0.156 0.000 1.106 261 L CA 1.439 56.140 54.840 -0.231 0.000 0.793 261 L CB -0.033 41.821 42.059 -0.341 0.000 0.927 261 L HN 0.530 nan 8.230 nan 0.000 0.446 262 V N -5.637 114.192 119.914 -0.141 0.000 3.040 262 V HA 0.698 4.818 4.120 -0.000 0.000 0.312 262 V C 0.622 176.660 176.094 -0.093 0.000 1.115 262 V CA -0.380 61.862 62.300 -0.097 0.000 0.998 262 V CB 1.561 33.335 31.823 -0.081 0.000 1.042 262 V HN -0.077 nan 8.190 nan 0.000 0.433 263 A N 2.119 124.900 122.820 -0.065 0.000 1.897 263 A HA 0.338 4.658 4.320 -0.000 0.000 0.215 263 A C 1.324 178.877 177.584 -0.051 0.000 1.181 263 A CA 1.674 53.678 52.037 -0.055 0.000 0.620 263 A CB -0.463 18.514 19.000 -0.037 0.000 0.821 263 A HN 1.756 nan 8.150 nan 0.000 0.443 264 T N -2.592 111.936 114.554 -0.042 0.000 2.896 264 T HA 0.455 4.805 4.350 -0.000 0.000 0.297 264 T C -0.715 173.972 174.700 -0.022 0.000 1.108 264 T CA 0.040 62.124 62.100 -0.026 0.000 1.004 264 T CB 1.898 70.761 68.868 -0.009 0.000 1.159 264 T HN 0.164 nan 8.240 nan 0.000 0.499 265 D N 0.441 120.844 120.400 0.005 0.000 2.427 265 D HA 0.145 4.785 4.640 -0.000 0.000 0.224 265 D C 0.233 176.557 176.300 0.040 0.000 1.157 265 D CA -0.287 53.731 54.000 0.031 0.000 0.828 265 D CB -0.531 40.328 40.800 0.097 0.000 0.974 265 D HN 0.512 nan 8.370 nan 0.000 0.498 266 T N 1.040 115.608 114.554 0.023 0.000 2.928 266 T HA 0.298 4.648 4.350 -0.000 0.000 0.305 266 T C 0.375 175.082 174.700 0.012 0.000 1.035 266 T CA 0.120 62.231 62.100 0.018 0.000 1.145 266 T CB 0.630 69.504 68.868 0.010 0.000 0.963 266 T HN 0.078 nan 8.240 nan 0.000 0.545 267 L N 2.293 123.523 121.223 0.011 0.000 2.235 267 L HA 0.653 4.993 4.340 -0.000 0.000 0.260 267 L C 0.467 177.337 176.870 0.000 0.000 1.025 267 L CA -1.232 53.610 54.840 0.004 0.000 0.836 267 L CB 1.170 43.232 42.059 0.004 0.000 1.395 267 L HN 0.397 nan 8.230 nan 0.000 0.443 268 R N 0.228 120.726 120.500 -0.005 0.000 2.474 268 R HA 0.597 4.937 4.340 -0.000 0.000 0.295 268 R C -1.093 175.202 176.300 -0.008 0.000 0.980 268 R CA -0.890 55.206 56.100 -0.006 0.000 0.934 268 R CB 1.134 31.429 30.300 -0.009 0.000 1.101 268 R HN 0.394 nan 8.270 nan 0.000 0.469 269 L N 4.169 125.388 121.223 -0.006 0.000 2.525 269 L HA 0.038 4.378 4.340 -0.000 0.000 0.278 269 L C -0.943 175.919 176.870 -0.013 0.000 1.218 269 L CA -0.800 54.035 54.840 -0.008 0.000 0.878 269 L CB 0.350 42.405 42.059 -0.006 0.000 1.127 269 L HN 0.503 nan 8.230 nan 0.000 0.492 270 P HA 0.050 nan 4.420 nan 0.000 0.253 270 P C -0.029 177.265 177.300 -0.009 0.000 1.260 270 P CA 0.141 63.234 63.100 -0.012 0.000 0.800 270 P CB 0.403 32.095 31.700 -0.014 0.000 1.162 271 M N 1.040 120.635 119.600 -0.009 0.000 2.238 271 M HA 0.198 4.678 4.480 -0.000 0.000 0.347 271 M C 0.891 177.189 176.300 -0.004 0.000 1.173 271 M CA 0.618 55.915 55.300 -0.006 0.000 1.147 271 M CB 0.458 33.055 32.600 -0.005 0.000 1.547 271 M HN -0.020 nan 8.290 nan 0.000 0.455 272 T N 0.436 114.988 114.554 -0.004 0.000 2.916 272 T HA 0.738 5.088 4.350 -0.000 0.000 0.292 272 T C -2.784 171.913 174.700 -0.005 0.000 1.064 272 T CA -1.971 60.126 62.100 -0.004 0.000 1.011 272 T CB 1.421 70.284 68.868 -0.008 0.000 1.152 272 T HN 0.306 nan 8.240 nan 0.000 0.510 273 P HA 0.176 nan 4.420 nan 0.000 0.266 273 P C 0.105 177.387 177.300 -0.031 0.000 1.193 273 P CA -0.437 62.662 63.100 -0.002 0.000 0.770 273 P CB 0.227 31.928 31.700 0.001 0.000 0.836 274 I N 1.847 122.388 120.570 -0.047 0.000 2.815 274 I HA -0.028 4.142 4.170 -0.000 0.000 0.291 274 I C 0.900 176.926 176.117 -0.152 0.000 1.209 274 I CA 0.321 61.546 61.300 -0.125 0.000 1.431 274 I CB 0.536 38.395 38.000 -0.234 0.000 1.351 274 I HN 0.449 nan 8.210 nan 0.000 0.585 275 T N 2.151 116.615 114.554 -0.150 0.000 2.849 275 T HA 0.140 4.490 4.350 -0.000 0.000 0.284 275 T C 0.840 175.425 174.700 -0.192 0.000 1.004 275 T CA -0.596 61.423 62.100 -0.134 0.000 1.021 275 T CB 1.047 69.856 68.868 -0.097 0.000 1.013 275 T HN 0.600 nan 8.240 nan 0.000 0.527 276 D N 0.632 120.943 120.400 -0.148 0.000 2.123 276 D HA -0.110 4.530 4.640 -0.000 0.000 0.196 276 D C 2.220 178.418 176.300 -0.169 0.000 0.992 276 D CA 1.607 55.512 54.000 -0.158 0.000 0.833 276 D CB -0.628 40.115 40.800 -0.096 0.000 0.954 276 D HN 0.618 nan 8.370 nan 0.000 0.455 277 S N -0.151 115.472 115.700 -0.128 0.000 2.368 277 S HA -0.095 4.375 4.470 -0.000 0.000 0.225 277 S C 2.130 176.642 174.600 -0.146 0.000 1.030 277 S CA 1.767 59.901 58.200 -0.111 0.000 0.999 277 S CB -0.544 62.611 63.200 -0.076 0.000 0.844 277 S HN 0.309 nan 8.310 nan 0.000 0.459 278 G N 1.433 110.126 108.800 -0.179 0.000 2.446 278 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 278 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 278 G C 1.596 176.278 174.900 -0.363 0.000 1.168 278 G CA 0.675 45.645 45.100 -0.217 0.000 0.771 278 G HN 0.559 nan 8.290 nan 0.000 0.551 279 R N 0.470 120.628 120.500 -0.569 0.000 2.096 279 R HA -0.023 4.317 4.340 -0.000 0.000 0.240 279 R C 2.951 178.947 176.300 -0.506 0.000 1.139 279 R CA 1.962 57.469 56.100 -0.988 0.000 0.952 279 R CB -0.591 29.153 30.300 -0.927 0.000 0.854 279 R HN 0.507 nan 8.270 nan 0.000 0.436 280 E N 0.572 120.614 120.200 -0.263 0.000 2.077 280 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 280 E C 2.006 178.566 176.600 -0.067 0.000 0.989 280 E CA 1.800 58.133 56.400 -0.111 0.000 0.800 280 E CB -1.214 28.441 29.700 -0.076 0.000 0.746 280 E HN 0.431 nan 8.360 nan 0.000 0.452 281 T N 0.345 114.847 114.554 -0.087 0.000 2.684 281 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 281 T C 2.190 176.883 174.700 -0.012 0.000 1.036 281 T CA 1.638 63.712 62.100 -0.043 0.000 1.148 281 T CB -0.307 68.529 68.868 -0.052 0.000 0.863 281 T HN 0.274 nan 8.240 nan 0.000 0.436 282 V N 1.139 121.037 119.914 -0.026 0.000 2.358 282 V HA -0.113 4.007 4.120 -0.000 0.000 0.246 282 V C 2.618 178.821 176.094 0.181 0.000 1.047 282 V CA 1.534 63.881 62.300 0.078 0.000 1.035 282 V CB -0.591 31.307 31.823 0.125 0.000 0.658 282 V HN 0.331 nan 8.190 nan 0.000 0.452 283 R N 0.164 120.799 120.500 0.224 0.000 2.096 283 R HA -0.223 4.117 4.340 -0.000 0.000 0.240 283 R C 2.343 178.724 176.300 0.135 0.000 1.139 283 R CA 1.841 58.093 56.100 0.255 0.000 0.952 283 R CB -0.510 29.948 30.300 0.263 0.000 0.854 283 R HN 0.509 nan 8.270 nan 0.000 0.436 284 A N 0.433 123.307 122.820 0.089 0.000 1.940 284 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 284 A C 2.297 179.935 177.584 0.090 0.000 1.176 284 A CA 1.812 53.894 52.037 0.076 0.000 0.631 284 A CB -0.674 18.356 19.000 0.049 0.000 0.814 284 A HN 0.545 nan 8.150 nan 0.000 0.446 285 A N -0.353 122.510 122.820 0.071 0.000 1.930 285 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 285 A C 2.155 179.791 177.584 0.085 0.000 1.175 285 A CA 1.350 53.419 52.037 0.054 0.000 0.627 285 A CB -0.551 18.462 19.000 0.023 0.000 0.815 285 A HN 0.468 nan 8.150 nan 0.000 0.443 286 L N -0.512 120.765 121.223 0.089 0.000 2.012 286 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 286 L C 2.611 179.523 176.870 0.070 0.000 1.073 286 L CA 1.806 56.690 54.840 0.073 0.000 0.748 286 L CB -0.483 41.617 42.059 0.068 0.000 0.891 286 L HN 0.353 nan 8.230 nan 0.000 0.431 287 K N -1.151 119.297 120.400 0.079 0.000 2.057 287 K HA -0.232 4.088 4.320 -0.000 0.000 0.207 287 K C 2.193 178.837 176.600 0.073 0.000 1.049 287 K CA 1.228 57.553 56.287 0.063 0.000 0.931 287 K CB -0.424 32.111 32.500 0.060 0.000 0.714 287 K HN 0.360 nan 8.250 nan 0.000 0.440 288 H N 0.668 119.744 119.070 0.011 0.000 2.422 288 H HA -0.069 4.487 4.556 0.000 0.000 0.298 288 H C 1.539 176.865 175.328 -0.003 0.000 1.098 288 H CA 1.682 57.733 56.048 0.004 0.000 1.315 288 H CB 0.192 29.956 29.762 0.004 0.000 1.382 288 H HN 0.206 nan 8.280 nan 0.000 0.523 289 A N -0.416 122.492 122.820 0.148 0.000 2.208 289 A HA 0.215 4.535 4.320 -0.000 0.000 0.209 289 A C 1.869 179.470 177.584 0.028 0.000 1.161 289 A CA 1.056 53.144 52.037 0.085 0.000 0.782 289 A CB -0.383 18.653 19.000 0.060 0.000 0.816 289 A HN 0.627 nan 8.150 nan 0.000 0.477 290 G N -1.358 107.450 108.800 0.013 0.000 2.132 290 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.228 290 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.228 290 G C 0.575 175.478 174.900 0.005 0.000 1.000 290 G CA 0.442 45.541 45.100 -0.002 0.000 0.693 290 G HN 0.456 nan 8.290 nan 0.000 0.515 291 L N -1.268 119.962 121.223 0.011 0.000 2.513 291 L HA 0.489 4.829 4.340 -0.000 0.000 0.222 291 L C 1.488 178.350 176.870 -0.013 0.000 1.096 291 L CA 0.355 55.197 54.840 0.002 0.000 0.857 291 L CB 0.070 42.132 42.059 0.004 0.000 1.026 291 L HN 0.242 nan 8.230 nan 0.000 0.469 292 L N 0.000 121.220 121.223 -0.005 0.000 2.949 292 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 292 L CA 0.000 54.833 54.840 -0.011 0.000 0.813 292 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 292 L HN 0.000 nan 8.230 nan 0.000 0.502