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 2z9j_1_A DATA FIRST_RESID 1 DATA SEQUENCE SGFRKMAFPS GKVEGCMVQV TCGTTTLNGL WLDDTVYCPR HVICTAEDML DATA SEQUENCE NPNYEDLLIR KSNHSFLVQA GNVQLRVIGH SMQNCLLRLK VDTSNPKTPK DATA SEQUENCE YKFVRIQPGQ TFSVLACYNG SPSGVYQCAM RPNHTIKGSF LNGSCGSVGF DATA SEQUENCE NIDYDCVSFC YMHHMELPTG VHAGTDLEGK FYGPFVDRQT AQAAGTDTTI DATA SEQUENCE TLNVLAWLYA AVINGDRWFL NRFTTTLNDF NLVAMKYNYE PLTQDHVDIL DATA SEQUENCE GPLSAQTGIA VLDMCAALKE LLQNGMNGRT ILGSTILEDE FTPFDVVRQC DATA SEQUENCE SG 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.621 174.600 0.035 0.000 1.055 1 S CA 0.000 58.214 58.200 0.024 0.000 1.107 1 S CB 0.000 63.210 63.200 0.016 0.000 0.593 2 G N -0.069 108.765 108.800 0.056 0.000 2.662 2 G HA2 0.262 4.222 3.960 -0.000 0.000 0.686 2 G HA3 0.262 4.222 3.960 -0.000 0.000 0.686 2 G C -1.539 173.449 174.900 0.145 0.000 1.271 2 G CA -0.505 44.641 45.100 0.076 0.000 0.816 2 G HN 1.279 nan 8.290 nan 0.000 0.608 3 F N 1.648 121.573 119.950 -0.042 0.000 2.607 3 F HA 0.755 5.282 4.527 -0.000 0.000 0.322 3 F C -0.100 175.692 175.800 -0.013 0.000 1.176 3 F CA -0.914 57.041 58.000 -0.074 0.000 0.977 3 F CB 1.583 40.489 39.000 -0.156 0.000 1.242 3 F HN 0.614 nan 8.300 nan 0.000 0.465 4 R N 3.194 123.477 120.500 -0.361 0.000 2.807 4 R HA 0.307 4.647 4.340 -0.000 0.000 0.276 4 R C -0.881 175.413 176.300 -0.010 0.000 0.979 4 R CA -1.196 54.846 56.100 -0.097 0.000 0.928 4 R CB 2.142 32.400 30.300 -0.069 0.000 1.191 4 R HN 0.659 nan 8.270 nan 0.000 0.471 5 K N 3.837 124.368 120.400 0.217 0.000 2.121 5 K HA 0.132 4.452 4.320 -0.000 0.000 0.235 5 K C 0.228 176.820 176.600 -0.014 0.000 1.200 5 K CA -0.032 56.372 56.287 0.194 0.000 1.115 5 K CB -0.181 32.345 32.500 0.043 0.000 1.474 5 K HN 0.458 nan 8.250 nan 0.000 0.295 6 M N 0.853 120.419 119.600 -0.057 0.000 2.342 6 M HA 0.548 5.028 4.480 -0.000 0.000 0.332 6 M C -0.557 175.623 176.300 -0.199 0.000 1.166 6 M CA -0.531 54.694 55.300 -0.126 0.000 1.086 6 M CB 1.693 34.201 32.600 -0.153 0.000 1.541 6 M HN 0.247 nan 8.290 nan 0.000 0.462 7 A N 1.962 124.678 122.820 -0.172 0.000 2.288 7 A HA 0.813 5.133 4.320 -0.000 0.000 0.328 7 A C -0.997 176.470 177.584 -0.196 0.000 1.123 7 A CA -0.749 51.171 52.037 -0.195 0.000 0.861 7 A CB 0.615 19.553 19.000 -0.103 0.000 1.272 7 A HN 0.786 nan 8.150 nan 0.000 0.490 8 F N 0.475 120.384 119.950 -0.070 0.000 2.450 8 F HA 0.372 4.899 4.527 -0.000 0.000 0.339 8 F C -1.714 174.170 175.800 0.139 0.000 1.146 8 F CA -1.260 56.766 58.000 0.043 0.000 1.267 8 F CB 0.242 39.290 39.000 0.080 0.000 1.178 8 F HN 0.275 nan 8.300 nan 0.000 0.585 9 P HA 0.012 nan 4.420 nan 0.000 0.265 9 P C 0.080 177.553 177.300 0.288 0.000 1.193 9 P CA 0.266 63.501 63.100 0.225 0.000 0.765 9 P CB 0.606 32.406 31.700 0.167 0.000 0.823 10 S N 1.197 117.036 115.700 0.231 0.000 2.558 10 S HA 0.033 4.503 4.470 -0.000 0.000 0.217 10 S C 2.083 176.693 174.600 0.018 0.000 0.975 10 S CA 0.396 58.705 58.200 0.180 0.000 0.912 10 S CB -0.853 62.476 63.200 0.215 0.000 0.776 10 S HN 0.497 nan 8.310 nan 0.000 0.526 11 G N 2.926 111.749 108.800 0.039 0.000 2.574 11 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 11 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 11 G C 1.448 176.327 174.900 -0.034 0.000 1.173 11 G CA 1.077 46.183 45.100 0.010 0.000 0.772 11 G HN 0.567 nan 8.290 nan 0.000 0.585 12 K N -0.261 120.102 120.400 -0.060 0.000 2.211 12 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 12 K C 2.471 178.996 176.600 -0.124 0.000 1.047 12 K CA 1.079 57.313 56.287 -0.088 0.000 0.935 12 K CB -0.100 32.340 32.500 -0.100 0.000 0.728 12 K HN 0.321 nan 8.250 nan 0.000 0.452 13 V N 0.981 120.759 119.914 -0.225 0.000 2.599 13 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 13 V C 1.754 177.803 176.094 -0.076 0.000 1.046 13 V CA 1.202 63.379 62.300 -0.205 0.000 1.065 13 V CB -0.231 31.258 31.823 -0.557 0.000 0.703 13 V HN 0.263 nan 8.190 nan 0.000 0.464 14 E N 1.184 121.351 120.200 -0.056 0.000 2.097 14 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 14 E C 2.120 178.730 176.600 0.016 0.000 1.000 14 E CA 1.403 57.804 56.400 0.002 0.000 0.804 14 E CB -0.438 29.273 29.700 0.019 0.000 0.740 14 E HN 0.620 nan 8.360 nan 0.000 0.454 15 G N -0.310 108.488 108.800 -0.003 0.000 2.882 15 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.206 15 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.206 15 G C 0.911 175.803 174.900 -0.013 0.000 1.155 15 G CA 0.264 45.361 45.100 -0.005 0.000 0.800 15 G HN 0.271 nan 8.290 nan 0.000 0.524 16 C N 0.071 119.379 119.300 0.012 0.000 3.491 16 C HA 0.441 4.901 4.460 -0.000 0.000 0.298 16 C C 0.430 175.482 174.990 0.105 0.000 1.424 16 C CA -0.839 58.197 59.018 0.029 0.000 1.772 16 C CB -0.556 27.168 27.740 -0.026 0.000 2.447 16 C HN 0.257 nan 8.230 nan 0.000 0.670 17 M N 2.481 122.135 119.600 0.091 0.000 2.180 17 M HA 0.513 4.993 4.480 -0.000 0.000 0.358 17 M C -0.046 176.316 176.300 0.103 0.000 1.233 17 M CA 0.259 55.604 55.300 0.076 0.000 1.114 17 M CB 0.617 33.245 32.600 0.046 0.000 1.594 17 M HN 0.213 nan 8.290 nan 0.000 0.467 18 V N 1.051 121.001 119.914 0.059 0.000 3.167 18 V HA 0.653 4.772 4.120 -0.000 0.000 0.310 18 V C -0.993 175.085 176.094 -0.026 0.000 1.207 18 V CA -1.056 61.251 62.300 0.012 0.000 1.059 18 V CB 2.111 33.903 31.823 -0.053 0.000 1.079 18 V HN 0.836 nan 8.190 nan 0.000 0.446 19 Q N 0.217 119.990 119.800 -0.045 0.000 2.282 19 Q HA 0.772 5.112 4.340 -0.000 0.000 0.260 19 Q C -1.770 174.193 176.000 -0.060 0.000 0.964 19 Q CA -0.640 55.139 55.803 -0.040 0.000 0.880 19 Q CB 2.146 30.873 28.738 -0.019 0.000 1.286 19 Q HN 0.779 nan 8.270 nan 0.000 0.445 20 V N 2.961 122.843 119.914 -0.052 0.000 2.531 20 V HA 0.517 4.637 4.120 -0.000 0.000 0.301 20 V C -0.326 175.762 176.094 -0.010 0.000 1.034 20 V CA -0.601 61.675 62.300 -0.041 0.000 0.865 20 V CB 1.830 33.615 31.823 -0.064 0.000 0.995 20 V HN 0.958 nan 8.190 nan 0.000 0.424 21 T N 0.785 115.347 114.554 0.013 0.000 2.893 21 T HA 0.680 5.030 4.350 -0.000 0.000 0.291 21 T C -0.890 173.817 174.700 0.013 0.000 1.028 21 T CA -0.757 61.348 62.100 0.009 0.000 0.995 21 T CB 1.714 70.577 68.868 -0.008 0.000 1.051 21 T HN 0.841 nan 8.240 nan 0.000 0.470 22 C N 2.884 122.170 119.300 -0.022 0.000 2.620 22 C HA 0.780 5.240 4.460 -0.000 0.000 0.356 22 C C 1.265 176.196 174.990 -0.098 0.000 1.082 22 C CA 1.104 60.052 59.018 -0.118 0.000 1.293 22 C CB -0.223 27.449 27.740 -0.114 0.000 1.836 22 C HN 1.837 nan 8.230 nan 0.000 0.453 23 G N 5.257 113.987 108.800 -0.117 0.000 2.561 23 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.289 23 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.289 23 G C 0.893 175.766 174.900 -0.045 0.000 1.169 23 G CA 1.164 46.216 45.100 -0.080 0.000 0.980 23 G HN 1.932 nan 8.290 nan 0.000 0.550 24 T N -1.957 112.581 114.554 -0.026 0.000 3.122 24 T HA 0.483 4.833 4.350 -0.000 0.000 0.250 24 T C 0.770 175.473 174.700 0.005 0.000 1.067 24 T CA 1.363 63.457 62.100 -0.009 0.000 0.966 24 T CB 0.160 69.026 68.868 -0.003 0.000 1.002 24 T HN 0.748 nan 8.240 nan 0.000 0.542 25 T N 2.767 117.324 114.554 0.005 0.000 2.767 25 T HA 0.542 4.892 4.350 -0.000 0.000 0.288 25 T C -0.511 174.196 174.700 0.013 0.000 0.963 25 T CA -0.271 61.842 62.100 0.022 0.000 1.019 25 T CB 1.446 70.336 68.868 0.037 0.000 0.923 25 T HN 0.205 nan 8.240 nan 0.000 0.468 26 T N 4.581 119.147 114.554 0.019 0.000 2.876 26 T HA 0.746 5.096 4.350 -0.000 0.000 0.289 26 T C -0.945 173.759 174.700 0.007 0.000 1.014 26 T CA -0.697 61.409 62.100 0.010 0.000 0.986 26 T CB 1.040 69.919 68.868 0.018 0.000 1.021 26 T HN 0.497 nan 8.240 nan 0.000 0.458 27 L N 0.394 121.602 121.223 -0.024 0.000 2.828 27 L HA 0.682 5.022 4.340 -0.000 0.000 0.264 27 L C -0.878 175.951 176.870 -0.068 0.000 1.106 27 L CA -1.211 53.601 54.840 -0.047 0.000 0.955 27 L CB 0.503 42.499 42.059 -0.106 0.000 1.558 27 L HN 0.327 nan 8.230 nan 0.000 0.386 28 N N -0.311 118.333 118.700 -0.095 0.000 2.515 28 N HA 0.690 5.430 4.740 -0.000 0.000 0.279 28 N C -0.434 175.006 175.510 -0.117 0.000 1.164 28 N CA 0.208 53.204 53.050 -0.090 0.000 0.982 28 N CB 1.705 40.138 38.487 -0.091 0.000 1.170 28 N HN 0.987 nan 8.380 nan 0.000 0.474 29 G N -0.178 108.569 108.800 -0.088 0.000 2.619 29 G HA2 0.533 4.493 3.960 -0.000 0.000 0.296 29 G HA3 0.533 4.493 3.960 -0.000 0.000 0.296 29 G C -1.606 173.266 174.900 -0.047 0.000 1.334 29 G CA -0.435 44.611 45.100 -0.090 0.000 0.934 29 G HN 0.378 nan 8.290 nan 0.000 0.476 30 L N 0.856 122.062 121.223 -0.028 0.000 2.298 30 L HA 0.714 5.054 4.340 -0.000 0.000 0.284 30 L C -1.358 175.588 176.870 0.125 0.000 1.013 30 L CA -0.980 53.843 54.840 -0.028 0.000 0.824 30 L CB 1.256 43.185 42.059 -0.217 0.000 1.221 30 L HN 0.576 nan 8.230 nan 0.000 0.418 31 W N 7.951 129.198 121.300 -0.089 0.000 2.291 31 W HA 0.606 5.266 4.660 -0.000 0.000 0.312 31 W C -1.867 174.608 176.519 -0.072 0.000 1.061 31 W CA -1.326 55.981 57.345 -0.064 0.000 1.296 31 W CB 0.636 30.062 29.460 -0.057 0.000 1.223 31 W HN 0.371 nan 8.180 nan 0.000 0.421 32 L N 8.395 129.677 121.223 0.098 0.000 2.381 32 L HA 0.287 4.627 4.340 -0.000 0.000 0.274 32 L C 0.466 177.324 176.870 -0.021 0.000 0.988 32 L CA -0.820 53.947 54.840 -0.123 0.000 0.824 32 L CB 1.765 43.658 42.059 -0.277 0.000 1.263 32 L HN 0.452 nan 8.230 nan 0.000 0.410 33 D N 1.918 122.240 120.400 -0.130 0.000 4.134 33 D HA -0.287 4.353 4.640 -0.000 0.000 0.141 33 D C 0.460 176.800 176.300 0.066 0.000 0.779 33 D CA 2.171 56.150 54.000 -0.036 0.000 1.126 33 D CB -0.369 40.472 40.800 0.069 0.000 0.523 33 D HN 0.945 nan 8.370 nan 0.000 0.513 34 D N 0.679 121.165 120.400 0.145 0.000 2.501 34 D HA 0.195 4.835 4.640 -0.000 0.000 0.226 34 D C -0.452 175.940 176.300 0.153 0.000 1.198 34 D CA 0.051 54.179 54.000 0.212 0.000 0.830 34 D CB 0.101 40.972 40.800 0.119 0.000 1.014 34 D HN 0.177 nan 8.370 nan 0.000 0.496 35 T N -0.365 114.282 114.554 0.155 0.000 2.876 35 T HA 0.506 4.856 4.350 -0.000 0.000 0.289 35 T C -0.641 174.024 174.700 -0.058 0.000 1.014 35 T CA -0.619 61.446 62.100 -0.058 0.000 0.986 35 T CB 2.543 71.275 68.868 -0.228 0.000 1.021 35 T HN -0.133 nan 8.240 nan 0.000 0.458 36 V N 3.376 123.142 119.914 -0.247 0.000 2.409 36 V HA 0.453 4.573 4.120 -0.000 0.000 0.291 36 V C -1.287 174.592 176.094 -0.358 0.000 1.020 36 V CA -0.897 61.292 62.300 -0.185 0.000 0.848 36 V CB 0.862 32.562 31.823 -0.205 0.000 0.990 36 V HN 0.824 nan 8.190 nan 0.000 0.430 37 Y N 3.836 124.065 120.300 -0.118 0.000 2.342 37 Y HA 0.691 5.241 4.550 -0.000 0.000 0.334 37 Y C 0.478 176.253 175.900 -0.208 0.000 1.067 37 Y CA -0.545 57.456 58.100 -0.164 0.000 1.128 37 Y CB 1.743 40.090 38.460 -0.189 0.000 1.200 37 Y HN 0.870 nan 8.280 nan 0.000 0.464 38 C N 1.609 120.849 119.300 -0.100 0.000 3.311 38 C HA 0.646 5.106 4.460 -0.000 0.000 0.325 38 C C -3.119 171.725 174.990 -0.243 0.000 1.352 38 C CA -2.797 56.106 59.018 -0.193 0.000 1.308 38 C CB 1.725 29.347 27.740 -0.197 0.000 1.619 38 C HN 0.513 nan 8.230 nan 0.000 0.469 39 P HA 0.228 nan 4.420 nan 0.000 0.267 39 P C 0.786 177.920 177.300 -0.276 0.000 1.205 39 P CA 0.093 62.931 63.100 -0.438 0.000 0.765 39 P CB 0.474 31.667 31.700 -0.845 0.000 0.828 40 R N 4.456 124.883 120.500 -0.121 0.000 2.193 40 R HA -0.177 4.163 4.340 -0.000 0.000 0.229 40 R C 1.563 177.908 176.300 0.074 0.000 1.110 40 R CA 1.357 57.409 56.100 -0.080 0.000 0.988 40 R CB -0.978 29.203 30.300 -0.199 0.000 0.871 40 R HN 0.614 nan 8.270 nan 0.000 0.458 41 H N 0.318 119.444 119.070 0.093 0.000 2.568 41 H HA 0.027 4.584 4.556 0.001 0.000 0.275 41 H C 1.538 176.959 175.328 0.156 0.000 1.028 41 H CA 0.729 56.928 56.048 0.253 0.000 1.173 41 H CB 0.028 29.934 29.762 0.240 0.000 1.335 41 H HN 0.177 nan 8.280 nan 0.000 0.614 42 V N 2.257 122.134 119.914 -0.062 0.000 2.626 42 V HA -0.180 3.940 4.120 -0.000 0.000 0.252 42 V C 2.362 178.514 176.094 0.096 0.000 1.067 42 V CA 1.379 63.665 62.300 -0.023 0.000 1.081 42 V CB -0.605 31.189 31.823 -0.047 0.000 0.686 42 V HN 0.632 nan 8.190 nan 0.000 0.468 43 I N -1.902 118.768 120.570 0.166 0.000 3.428 43 I HA 0.099 4.269 4.170 -0.000 0.000 0.286 43 I C 0.948 177.120 176.117 0.092 0.000 1.287 43 I CA -0.064 61.316 61.300 0.133 0.000 1.396 43 I CB -0.916 37.200 38.000 0.193 0.000 1.062 43 I HN 0.172 nan 8.210 nan 0.000 0.471 44 C N 2.501 121.885 119.300 0.140 0.000 2.536 44 C HA 0.407 4.867 4.460 -0.000 0.000 0.396 44 C C 1.198 176.219 174.990 0.052 0.000 1.279 44 C CA -0.191 58.876 59.018 0.081 0.000 2.148 44 C CB 0.645 28.461 27.740 0.126 0.000 2.584 44 C HN 0.450 nan 8.230 nan 0.000 0.579 45 T N 1.674 116.234 114.554 0.010 0.000 2.810 45 T HA 0.386 4.736 4.350 -0.000 0.000 0.277 45 T C 1.314 176.020 174.700 0.011 0.000 0.973 45 T CA 0.025 62.128 62.100 0.006 0.000 0.949 45 T CB 0.765 69.625 68.868 -0.013 0.000 1.075 45 T HN 0.806 nan 8.240 nan 0.000 0.537 46 A N 0.489 123.314 122.820 0.009 0.000 1.858 46 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 46 A C 2.216 179.799 177.584 -0.002 0.000 1.190 46 A CA 1.278 53.320 52.037 0.009 0.000 0.617 46 A CB -0.612 18.393 19.000 0.008 0.000 0.827 46 A HN 0.774 nan 8.150 nan 0.000 0.443 47 E N 0.356 120.550 120.200 -0.010 0.000 2.072 47 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 47 E C 1.611 178.192 176.600 -0.030 0.000 0.985 47 E CA 1.398 57.787 56.400 -0.018 0.000 0.801 47 E CB -0.608 29.080 29.700 -0.020 0.000 0.750 47 E HN 0.620 nan 8.360 nan 0.000 0.452 48 D N 0.620 120.997 120.400 -0.038 0.000 2.149 48 D HA -0.186 4.454 4.640 -0.000 0.000 0.194 48 D C 1.725 177.978 176.300 -0.079 0.000 1.001 48 D CA 1.047 55.005 54.000 -0.070 0.000 0.849 48 D CB -0.182 40.574 40.800 -0.073 0.000 0.939 48 D HN 0.097 nan 8.370 nan 0.000 0.449 49 M N -0.123 119.455 119.600 -0.037 0.000 2.446 49 M HA -0.040 4.440 4.480 -0.000 0.000 0.263 49 M C 1.868 178.154 176.300 -0.023 0.000 1.066 49 M CA 0.743 56.032 55.300 -0.019 0.000 1.087 49 M CB -0.552 32.049 32.600 0.001 0.000 1.406 49 M HN 0.162 nan 8.290 nan 0.000 0.459 50 L N -0.710 120.496 121.223 -0.028 0.000 2.156 50 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 50 L C 0.716 177.569 176.870 -0.027 0.000 1.095 50 L CA 0.822 55.648 54.840 -0.022 0.000 0.770 50 L CB -0.352 41.695 42.059 -0.020 0.000 0.914 50 L HN 0.370 nan 8.230 nan 0.000 0.439 51 N N -0.637 118.036 118.700 -0.045 0.000 2.820 51 N HA 0.105 4.845 4.740 -0.000 0.000 0.209 51 N C -2.722 172.736 175.510 -0.087 0.000 1.406 51 N CA -0.798 52.224 53.050 -0.048 0.000 0.916 51 N CB 0.594 39.060 38.487 -0.034 0.000 1.532 51 N HN -0.129 nan 8.380 nan 0.000 0.559 52 P HA 0.239 nan 4.420 nan 0.000 0.279 52 P C -0.998 176.130 177.300 -0.287 0.000 1.239 52 P CA -0.255 62.668 63.100 -0.295 0.000 0.789 52 P CB 0.985 32.355 31.700 -0.550 0.000 0.933 53 N N 2.465 121.021 118.700 -0.239 0.000 2.558 53 N HA 0.086 4.826 4.740 -0.000 0.000 0.242 53 N C 0.543 175.975 175.510 -0.130 0.000 0.979 53 N CA -0.382 52.600 53.050 -0.113 0.000 0.931 53 N CB 0.365 38.825 38.487 -0.045 0.000 1.122 53 N HN 0.264 nan 8.380 nan 0.000 0.508 54 Y N 2.228 122.551 120.300 0.038 0.000 2.207 54 Y HA -0.202 4.348 4.550 -0.000 0.000 0.287 54 Y C 1.656 177.585 175.900 0.048 0.000 1.156 54 Y CA 1.397 59.527 58.100 0.050 0.000 1.182 54 Y CB 0.361 38.858 38.460 0.061 0.000 0.979 54 Y HN 0.565 nan 8.280 nan 0.000 0.521 55 E N -0.208 120.094 120.200 0.171 0.000 2.106 55 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 55 E C 1.553 178.199 176.600 0.077 0.000 0.984 55 E CA 1.519 57.987 56.400 0.113 0.000 0.806 55 E CB -0.279 29.469 29.700 0.080 0.000 0.750 55 E HN 0.445 nan 8.360 nan 0.000 0.458 56 D N -0.342 120.085 120.400 0.045 0.000 2.183 56 D HA -0.033 4.607 4.640 -0.000 0.000 0.203 56 D C 1.559 177.866 176.300 0.013 0.000 0.969 56 D CA 0.637 54.648 54.000 0.019 0.000 0.842 56 D CB 0.150 40.947 40.800 -0.005 0.000 0.957 56 D HN 0.075 nan 8.370 nan 0.000 0.484 57 L N -0.204 121.023 121.223 0.007 0.000 2.179 57 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 57 L C 2.067 178.969 176.870 0.054 0.000 1.096 57 L CA 0.282 55.123 54.840 0.002 0.000 0.779 57 L CB -0.158 41.876 42.059 -0.041 0.000 0.922 57 L HN 0.177 nan 8.230 nan 0.000 0.443 58 L N -0.319 120.971 121.223 0.112 0.000 2.179 58 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 58 L C 2.157 179.109 176.870 0.136 0.000 1.096 58 L CA 1.227 56.161 54.840 0.156 0.000 0.779 58 L CB -0.207 41.977 42.059 0.209 0.000 0.922 58 L HN 0.085 nan 8.230 nan 0.000 0.443 59 I N -0.269 120.360 120.570 0.099 0.000 2.567 59 I HA -0.214 3.956 4.170 -0.000 0.000 0.257 59 I C 2.119 178.271 176.117 0.058 0.000 1.184 59 I CA 1.316 62.667 61.300 0.085 0.000 1.451 59 I CB -0.342 37.691 38.000 0.055 0.000 1.089 59 I HN 0.226 nan 8.210 nan 0.000 0.441 60 R N 0.474 120.990 120.500 0.027 0.000 2.310 60 R HA 0.100 4.440 4.340 -0.000 0.000 0.202 60 R C 0.110 176.376 176.300 -0.058 0.000 0.933 60 R CA 0.139 56.232 56.100 -0.012 0.000 1.054 60 R CB -0.070 30.216 30.300 -0.023 0.000 0.985 60 R HN 0.179 nan 8.270 nan 0.000 0.489 61 K N 1.053 121.419 120.400 -0.055 0.000 2.185 61 K HA 0.345 4.665 4.320 -0.000 0.000 0.240 61 K C 0.214 176.706 176.600 -0.181 0.000 0.983 61 K CA -0.402 55.771 56.287 -0.191 0.000 0.873 61 K CB 1.994 34.347 32.500 -0.244 0.000 1.118 61 K HN -0.018 nan 8.250 nan 0.000 0.441 62 S N -0.521 114.952 115.700 -0.378 0.000 2.709 62 S HA 0.337 4.807 4.470 -0.000 0.000 0.302 62 S C 0.634 175.016 174.600 -0.364 0.000 1.127 62 S CA -0.781 57.227 58.200 -0.321 0.000 0.905 62 S CB 1.090 63.951 63.200 -0.564 0.000 1.151 62 S HN 0.440 nan 8.310 nan 0.000 0.510 63 N N 1.737 120.414 118.700 -0.039 0.000 2.149 63 N HA -0.156 4.584 4.740 -0.000 0.000 0.188 63 N C 1.488 177.064 175.510 0.110 0.000 1.019 63 N CA 1.871 55.007 53.050 0.143 0.000 0.857 63 N CB -0.840 37.795 38.487 0.246 0.000 0.997 63 N HN 0.857 nan 8.380 nan 0.000 0.426 64 H N -1.048 118.024 119.070 0.004 0.000 2.556 64 H HA 0.271 4.827 4.556 0.000 0.000 0.268 64 H C 1.013 176.260 175.328 -0.136 0.000 0.996 64 H CA 0.326 56.350 56.048 -0.040 0.000 1.157 64 H CB -0.328 29.412 29.762 -0.037 0.000 1.355 64 H HN 0.002 nan 8.280 nan 0.000 0.597 65 S N 0.205 115.635 115.700 -0.449 0.000 2.522 65 S HA 0.076 4.546 4.470 -0.000 0.000 0.227 65 S C -0.057 174.096 174.600 -0.745 0.000 0.986 65 S CA 0.108 57.925 58.200 -0.638 0.000 0.929 65 S CB -0.199 62.455 63.200 -0.910 0.000 0.769 65 S HN 0.189 nan 8.310 nan 0.000 0.529 66 F N 1.262 121.126 119.950 -0.144 0.000 2.427 66 F HA 0.540 5.067 4.527 -0.000 0.000 0.346 66 F C -0.334 175.412 175.800 -0.091 0.000 1.120 66 F CA -1.323 56.605 58.000 -0.121 0.000 1.033 66 F CB 1.099 40.012 39.000 -0.145 0.000 1.126 66 F HN -0.106 nan 8.300 nan 0.000 0.462 67 L N 5.439 126.703 121.223 0.069 0.000 2.301 67 L HA 0.618 4.958 4.340 -0.000 0.000 0.278 67 L C -1.101 175.761 176.870 -0.012 0.000 1.022 67 L CA -0.483 54.364 54.840 0.011 0.000 0.854 67 L CB 0.719 42.770 42.059 -0.014 0.000 1.226 67 L HN 0.361 nan 8.230 nan 0.000 0.429 68 V N 5.304 125.186 119.914 -0.053 0.000 2.427 68 V HA 0.517 4.637 4.120 -0.000 0.000 0.286 68 V C -0.236 175.768 176.094 -0.151 0.000 1.034 68 V CA -0.474 61.752 62.300 -0.123 0.000 0.893 68 V CB 1.458 33.160 31.823 -0.202 0.000 0.982 68 V HN 0.746 nan 8.190 nan 0.000 0.452 69 Q N 3.119 122.835 119.800 -0.141 0.000 2.304 69 Q HA 0.700 5.040 4.340 -0.000 0.000 0.270 69 Q C -0.659 175.265 176.000 -0.126 0.000 1.035 69 Q CA -0.630 55.099 55.803 -0.124 0.000 0.781 69 Q CB 2.510 31.209 28.738 -0.064 0.000 1.261 69 Q HN 0.831 nan 8.270 nan 0.000 0.444 70 A N 2.280 125.013 122.820 -0.145 0.000 2.478 70 A HA 0.693 5.013 4.320 -0.000 0.000 0.327 70 A C 0.893 178.483 177.584 0.010 0.000 1.431 70 A CA 0.526 52.527 52.037 -0.059 0.000 1.014 70 A CB -0.417 18.543 19.000 -0.067 0.000 1.143 70 A HN 0.977 nan 8.150 nan 0.000 0.532 71 G N 3.400 112.216 108.800 0.026 0.000 2.557 71 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.292 71 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.292 71 G C 0.587 175.496 174.900 0.014 0.000 1.162 71 G CA 0.823 45.942 45.100 0.033 0.000 0.964 71 G HN 0.926 nan 8.290 nan 0.000 0.541 72 N N 0.167 118.877 118.700 0.016 0.000 2.299 72 N HA 0.350 5.090 4.740 -0.000 0.000 0.187 72 N C 0.344 175.852 175.510 -0.004 0.000 1.099 72 N CA 0.799 53.854 53.050 0.008 0.000 0.867 72 N CB 0.710 39.205 38.487 0.014 0.000 0.974 72 N HN 0.540 nan 8.380 nan 0.000 0.477 73 V N 2.148 122.057 119.914 -0.009 0.000 2.439 73 V HA 0.182 4.302 4.120 -0.000 0.000 0.282 73 V C -0.065 175.992 176.094 -0.061 0.000 1.039 73 V CA -0.931 61.355 62.300 -0.023 0.000 0.913 73 V CB 1.361 33.180 31.823 -0.006 0.000 0.983 73 V HN 0.168 nan 8.190 nan 0.000 0.460 74 Q N 4.784 124.549 119.800 -0.058 0.000 2.314 74 Q HA 0.467 4.807 4.340 -0.000 0.000 0.258 74 Q C -0.782 175.149 176.000 -0.114 0.000 0.954 74 Q CA -0.141 55.613 55.803 -0.081 0.000 0.890 74 Q CB 1.563 30.270 28.738 -0.052 0.000 1.210 74 Q HN 0.576 nan 8.270 nan 0.000 0.410 75 L N 2.251 123.368 121.223 -0.176 0.000 2.282 75 L HA 0.431 4.771 4.340 -0.000 0.000 0.288 75 L C 0.604 177.390 176.870 -0.140 0.000 1.033 75 L CA -0.636 54.071 54.840 -0.222 0.000 0.807 75 L CB 1.287 43.080 42.059 -0.444 0.000 1.209 75 L HN 0.411 nan 8.230 nan 0.000 0.423 76 R N 2.508 122.955 120.500 -0.087 0.000 2.370 76 R HA 0.261 4.601 4.340 -0.000 0.000 0.309 76 R C -0.902 175.376 176.300 -0.038 0.000 1.059 76 R CA -0.433 55.642 56.100 -0.042 0.000 0.981 76 R CB 0.788 31.077 30.300 -0.018 0.000 0.972 76 R HN 0.397 nan 8.270 nan 0.000 0.437 77 V N 8.021 127.931 119.914 -0.008 0.000 2.427 77 V HA 0.069 4.189 4.120 -0.000 0.000 0.268 77 V C 1.201 177.325 176.094 0.050 0.000 1.046 77 V CA 0.009 62.313 62.300 0.007 0.000 0.970 77 V CB 0.879 32.731 31.823 0.048 0.000 1.001 77 V HN 0.769 nan 8.190 nan 0.000 0.476 78 I N 1.863 122.453 120.570 0.033 0.000 3.974 78 I HA 0.737 4.907 4.170 -0.000 0.000 0.334 78 I C 0.594 176.744 176.117 0.056 0.000 1.437 78 I CA -0.050 61.280 61.300 0.050 0.000 1.113 78 I CB 0.478 38.494 38.000 0.027 0.000 1.063 78 I HN 0.608 nan 8.210 nan 0.000 0.400 79 G N 1.555 110.396 108.800 0.068 0.000 2.556 79 G HA2 0.479 4.439 3.960 -0.000 0.000 0.294 79 G HA3 0.479 4.439 3.960 -0.000 0.000 0.294 79 G C -1.745 173.193 174.900 0.063 0.000 1.516 79 G CA -0.515 44.613 45.100 0.047 0.000 0.824 79 G HN 0.516 nan 8.290 nan 0.000 0.535 80 H N -1.620 117.398 119.070 -0.088 0.000 3.085 80 H HA 0.832 5.387 4.556 -0.000 0.000 0.356 80 H C -0.903 174.359 175.328 -0.109 0.000 1.178 80 H CA -0.413 55.537 56.048 -0.162 0.000 1.214 80 H CB 1.499 31.130 29.762 -0.218 0.000 1.881 80 H HN 1.340 nan 8.280 nan 0.000 0.538 81 S N 2.697 118.333 115.700 -0.107 0.000 2.588 81 S HA 0.514 4.984 4.470 -0.000 0.000 0.269 81 S C -0.823 173.747 174.600 -0.050 0.000 1.157 81 S CA -1.093 57.050 58.200 -0.095 0.000 0.824 81 S CB 2.570 65.707 63.200 -0.104 0.000 1.126 81 S HN 0.793 nan 8.310 nan 0.000 0.464 82 M N 1.958 121.546 119.600 -0.019 0.000 2.268 82 M HA 0.516 4.995 4.480 -0.000 0.000 0.344 82 M C -1.101 175.190 176.300 -0.015 0.000 1.106 82 M CA -0.247 55.045 55.300 -0.014 0.000 1.010 82 M CB 1.645 34.258 32.600 0.021 0.000 1.649 82 M HN 0.899 nan 8.290 nan 0.000 0.443 83 Q N 5.260 125.048 119.800 -0.020 0.000 2.347 83 Q HA 0.328 4.668 4.340 -0.000 0.000 0.265 83 Q C -0.502 175.479 176.000 -0.032 0.000 1.024 83 Q CA -0.511 55.287 55.803 -0.009 0.000 0.731 83 Q CB 0.801 29.553 28.738 0.024 0.000 1.245 83 Q HN 1.071 nan 8.270 nan 0.000 0.472 84 N N 1.570 120.249 118.700 -0.034 0.000 1.241 84 N HA -0.292 4.448 4.740 -0.000 0.000 0.135 84 N C 0.079 175.539 175.510 -0.084 0.000 0.723 84 N CA 1.926 54.945 53.050 -0.052 0.000 0.950 84 N CB -1.257 37.190 38.487 -0.067 0.000 1.215 84 N HN 0.726 nan 8.380 nan 0.000 0.520 85 C N 0.941 120.175 119.300 -0.110 0.000 2.625 85 C HA 0.409 4.868 4.460 -0.000 0.000 0.285 85 C C 0.460 175.407 174.990 -0.071 0.000 1.279 85 C CA -0.368 58.569 59.018 -0.135 0.000 1.698 85 C CB -1.330 26.329 27.740 -0.135 0.000 1.821 85 C HN 0.218 nan 8.230 nan 0.000 0.600 86 L N 0.498 121.679 121.223 -0.071 0.000 2.334 86 L HA 0.579 4.919 4.340 -0.000 0.000 0.270 86 L C -0.242 176.585 176.870 -0.072 0.000 1.018 86 L CA -0.538 54.271 54.840 -0.052 0.000 0.811 86 L CB 0.871 42.915 42.059 -0.024 0.000 1.271 86 L HN -0.029 nan 8.230 nan 0.000 0.443 87 L N 2.583 123.743 121.223 -0.105 0.000 2.307 87 L HA 0.484 4.824 4.340 -0.000 0.000 0.284 87 L C -0.360 176.389 176.870 -0.202 0.000 1.023 87 L CA -0.449 54.298 54.840 -0.156 0.000 0.810 87 L CB 1.463 43.392 42.059 -0.215 0.000 1.231 87 L HN 0.613 nan 8.230 nan 0.000 0.423 88 R N 5.297 125.666 120.500 -0.219 0.000 2.288 88 R HA 0.575 4.915 4.340 -0.000 0.000 0.326 88 R C -1.026 175.087 176.300 -0.311 0.000 0.959 88 R CA -0.532 55.375 56.100 -0.322 0.000 0.834 88 R CB 1.401 31.554 30.300 -0.245 0.000 1.157 88 R HN 0.473 nan 8.270 nan 0.000 0.470 89 L N 3.091 124.098 121.223 -0.361 0.000 2.287 89 L HA 0.442 4.782 4.340 -0.000 0.000 0.287 89 L C 0.010 176.747 176.870 -0.222 0.000 1.022 89 L CA -0.718 53.942 54.840 -0.300 0.000 0.814 89 L CB 1.574 43.417 42.059 -0.360 0.000 1.217 89 L HN 0.367 nan 8.230 nan 0.000 0.420 90 K N 3.078 123.395 120.400 -0.139 0.000 2.234 90 K HA 0.540 4.860 4.320 -0.000 0.000 0.282 90 K C -0.604 175.958 176.600 -0.063 0.000 1.039 90 K CA -0.547 55.688 56.287 -0.086 0.000 0.928 90 K CB 1.190 33.658 32.500 -0.053 0.000 1.039 90 K HN 0.457 nan 8.250 nan 0.000 0.470 91 V N 0.607 120.494 119.914 -0.044 0.000 2.994 91 V HA 0.333 4.453 4.120 -0.000 0.000 0.318 91 V C 0.503 176.604 176.094 0.012 0.000 1.085 91 V CA -0.675 61.596 62.300 -0.050 0.000 0.998 91 V CB 1.731 33.465 31.823 -0.148 0.000 1.063 91 V HN 0.924 nan 8.190 nan 0.000 0.447 92 D N -0.127 120.277 120.400 0.006 0.000 2.336 92 D HA 0.071 4.711 4.640 -0.000 0.000 0.229 92 D C 0.457 176.796 176.300 0.064 0.000 1.061 92 D CA 0.478 54.497 54.000 0.031 0.000 0.875 92 D CB 0.500 41.310 40.800 0.017 0.000 0.904 92 D HN 0.665 nan 8.370 nan 0.000 0.525 93 T N -1.102 113.520 114.554 0.114 0.000 2.900 93 T HA 0.425 4.775 4.350 -0.000 0.000 0.303 93 T C -1.253 173.650 174.700 0.337 0.000 1.142 93 T CA -0.546 61.666 62.100 0.187 0.000 1.007 93 T CB 1.704 70.686 68.868 0.190 0.000 1.156 93 T HN -0.086 nan 8.240 nan 0.000 0.490 94 S N 2.459 118.305 115.700 0.243 0.000 2.578 94 S HA 0.394 4.864 4.470 -0.000 0.000 0.283 94 S C -0.025 174.543 174.600 -0.053 0.000 1.195 94 S CA -0.765 57.524 58.200 0.148 0.000 1.050 94 S CB 0.754 63.974 63.200 0.035 0.000 1.012 94 S HN 0.730 nan 8.310 nan 0.000 0.511 95 N N 2.430 120.771 118.700 -0.597 0.000 2.402 95 N HA 0.165 4.904 4.740 -0.000 0.000 0.252 95 N C -1.963 173.218 175.510 -0.549 0.000 1.118 95 N CA -1.957 50.342 53.050 -1.252 0.000 0.945 95 N CB 0.733 38.016 38.487 -2.007 0.000 1.147 95 N HN 0.239 nan 8.380 nan 0.000 0.495 96 P HA -0.108 nan 4.420 nan 0.000 0.222 96 P C 0.200 177.400 177.300 -0.167 0.000 1.147 96 P CA 1.148 64.142 63.100 -0.176 0.000 0.790 96 P CB 0.240 31.879 31.700 -0.101 0.000 0.780 97 K N -1.312 118.950 120.400 -0.231 0.000 2.444 97 K HA 0.097 4.417 4.320 -0.000 0.000 0.193 97 K C 0.196 176.706 176.600 -0.150 0.000 1.024 97 K CA 0.173 56.365 56.287 -0.159 0.000 1.077 97 K CB -0.371 32.046 32.500 -0.138 0.000 0.833 97 K HN 0.089 nan 8.250 nan 0.000 0.517 98 T N 4.755 119.189 114.554 -0.200 0.000 2.822 98 T HA 0.007 4.357 4.350 -0.000 0.000 0.288 98 T C -1.819 172.881 174.700 0.000 0.000 0.991 98 T CA -0.617 61.412 62.100 -0.118 0.000 1.176 98 T CB 0.345 69.149 68.868 -0.108 0.000 0.951 98 T HN 0.201 nan 8.240 nan 0.000 0.526 99 P HA 0.307 nan 4.420 nan 0.000 0.284 99 P C -0.387 177.019 177.300 0.177 0.000 1.292 99 P CA -0.938 62.209 63.100 0.079 0.000 0.800 99 P CB 0.942 32.667 31.700 0.041 0.000 1.188 100 K N 0.546 121.003 120.400 0.095 0.000 2.412 100 K HA 0.152 4.472 4.320 -0.000 0.000 0.281 100 K C -0.722 175.955 176.600 0.129 0.000 1.027 100 K CA 0.055 56.376 56.287 0.056 0.000 0.989 100 K CB -0.188 32.316 32.500 0.007 0.000 0.935 100 K HN 0.551 nan 8.250 nan 0.000 0.475 101 Y N 0.544 120.833 120.300 -0.018 0.000 2.670 101 Y HA 0.521 5.071 4.550 -0.000 0.000 0.334 101 Y C -1.829 174.058 175.900 -0.021 0.000 1.185 101 Y CA -1.303 56.799 58.100 0.004 0.000 1.053 101 Y CB 1.132 39.701 38.460 0.182 0.000 1.298 101 Y HN 0.582 nan 8.280 nan 0.000 0.459 102 K N 1.076 121.595 120.400 0.199 0.000 2.575 102 K HA 0.524 4.844 4.320 -0.000 0.000 0.279 102 K C -2.209 174.647 176.600 0.426 0.000 0.969 102 K CA -0.792 55.537 56.287 0.070 0.000 0.868 102 K CB 2.231 34.720 32.500 -0.019 0.000 1.457 102 K HN 0.734 nan 8.250 nan 0.000 0.426 103 F N 1.661 121.706 119.950 0.158 0.000 2.404 103 F HA 0.448 4.976 4.527 0.000 0.000 0.354 103 F C -0.248 175.588 175.800 0.059 0.000 1.122 103 F CA -1.232 56.840 58.000 0.121 0.000 1.080 103 F CB 2.094 41.122 39.000 0.047 0.000 1.131 103 F HN 0.064 nan 8.300 nan 0.000 0.471 104 V N 4.130 124.186 119.914 0.237 0.000 2.735 104 V HA 0.441 4.561 4.120 -0.000 0.000 0.310 104 V C -0.461 175.699 176.094 0.110 0.000 1.061 104 V CA -1.008 61.370 62.300 0.129 0.000 0.913 104 V CB 2.343 34.215 31.823 0.081 0.000 1.005 104 V HN 0.675 nan 8.190 nan 0.000 0.428 105 R N 2.760 123.322 120.500 0.102 0.000 2.255 105 R HA 0.585 4.925 4.340 -0.000 0.000 0.326 105 R C -0.953 175.466 176.300 0.198 0.000 0.986 105 R CA -0.565 55.626 56.100 0.152 0.000 0.847 105 R CB 1.058 31.389 30.300 0.053 0.000 1.111 105 R HN 0.625 nan 8.270 nan 0.000 0.452 106 I N 2.432 123.172 120.570 0.284 0.000 2.764 106 I HA 0.086 4.256 4.170 -0.000 0.000 0.294 106 I C 0.048 176.284 176.117 0.198 0.000 1.045 106 I CA 0.106 61.495 61.300 0.148 0.000 1.340 106 I CB 1.417 39.410 38.000 -0.010 0.000 1.436 106 I HN 0.526 nan 8.210 nan 0.000 0.567 107 Q N 5.243 125.112 119.800 0.115 0.000 2.245 107 Q HA 0.418 4.758 4.340 -0.000 0.000 0.256 107 Q C -2.295 173.743 176.000 0.063 0.000 0.942 107 Q CA -2.040 53.833 55.803 0.116 0.000 0.896 107 Q CB 1.052 29.844 28.738 0.091 0.000 1.272 107 Q HN 0.285 nan 8.270 nan 0.000 0.442 108 P HA 0.013 nan 4.420 nan 0.000 0.265 108 P C 0.608 177.888 177.300 -0.033 0.000 1.187 108 P CA 1.131 64.205 63.100 -0.044 0.000 0.766 108 P CB 0.451 32.060 31.700 -0.151 0.000 0.820 109 G N 1.221 109.991 108.800 -0.050 0.000 2.254 109 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.225 109 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.225 109 G C 0.146 175.025 174.900 -0.034 0.000 1.003 109 G CA -0.383 44.684 45.100 -0.055 0.000 0.622 109 G HN 0.564 nan 8.290 nan 0.000 0.507 110 Q N 1.222 121.022 119.800 -0.000 0.000 2.368 110 Q HA 0.528 4.868 4.340 -0.000 0.000 0.237 110 Q C 0.585 176.607 176.000 0.037 0.000 0.987 110 Q CA 0.607 56.427 55.803 0.028 0.000 0.896 110 Q CB 0.943 29.709 28.738 0.048 0.000 1.241 110 Q HN 0.542 nan 8.270 nan 0.000 0.485 111 T N -1.364 113.211 114.554 0.036 0.000 2.950 111 T HA 0.788 5.138 4.350 -0.000 0.000 0.288 111 T C -0.575 174.191 174.700 0.111 0.000 1.035 111 T CA -0.752 61.317 62.100 -0.052 0.000 1.028 111 T CB 0.797 69.592 68.868 -0.122 0.000 1.109 111 T HN 0.532 nan 8.240 nan 0.000 0.514 112 F N -2.096 117.774 119.950 -0.133 0.000 2.741 112 F HA 0.737 5.264 4.527 -0.001 0.000 0.311 112 F C -0.963 174.682 175.800 -0.259 0.000 1.149 112 F CA -1.282 56.623 58.000 -0.159 0.000 0.930 112 F CB 0.872 39.774 39.000 -0.164 0.000 1.312 112 F HN 0.576 nan 8.300 nan 0.000 0.450 113 S N 0.994 116.556 115.700 -0.230 0.000 2.585 113 S HA 0.755 5.225 4.470 -0.000 0.000 0.277 113 S C -0.797 173.529 174.600 -0.457 0.000 1.241 113 S CA -0.702 57.190 58.200 -0.513 0.000 1.041 113 S CB 1.735 64.485 63.200 -0.751 0.000 0.987 113 S HN 0.553 nan 8.310 nan 0.000 0.512 114 V N 3.351 123.021 119.914 -0.407 0.000 2.487 114 V HA 0.394 4.514 4.120 -0.000 0.000 0.298 114 V C -0.761 175.231 176.094 -0.170 0.000 1.028 114 V CA -0.729 61.441 62.300 -0.216 0.000 0.860 114 V CB 1.567 33.045 31.823 -0.575 0.000 0.991 114 V HN 0.696 nan 8.190 nan 0.000 0.427 115 L N 5.569 126.911 121.223 0.198 0.000 2.314 115 L HA 0.727 5.067 4.340 -0.000 0.000 0.275 115 L C 0.665 177.603 176.870 0.113 0.000 1.068 115 L CA -0.189 54.753 54.840 0.170 0.000 0.894 115 L CB 0.513 42.724 42.059 0.252 0.000 1.275 115 L HN 0.753 nan 8.230 nan 0.000 0.432 116 A N 4.411 127.272 122.820 0.070 0.000 2.524 116 A HA 0.433 4.753 4.320 -0.000 0.000 0.250 116 A C -0.041 177.547 177.584 0.007 0.000 1.078 116 A CA -0.030 52.077 52.037 0.116 0.000 0.761 116 A CB -0.384 18.730 19.000 0.191 0.000 1.012 116 A HN 0.797 nan 8.150 nan 0.000 0.500 117 C N 1.185 120.378 119.300 -0.178 0.000 2.889 117 C HA 0.811 5.271 4.460 -0.000 0.000 0.307 117 C C -1.102 173.537 174.990 -0.585 0.000 1.251 117 C CA -0.549 58.348 59.018 -0.202 0.000 1.593 117 C CB 1.160 28.858 27.740 -0.070 0.000 2.104 117 C HN 0.792 nan 8.230 nan 0.000 0.476 118 Y N 0.468 120.819 120.300 0.086 0.000 2.396 118 Y HA 0.325 4.874 4.550 -0.000 0.000 0.332 118 Y C 0.507 176.438 175.900 0.051 0.000 1.034 118 Y CA -0.699 57.444 58.100 0.072 0.000 1.057 118 Y CB 0.874 39.378 38.460 0.074 0.000 1.220 118 Y HN 0.907 nan 8.280 nan 0.000 0.440 119 N N 1.771 120.561 118.700 0.150 0.000 2.721 119 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 119 N C 0.977 176.522 175.510 0.059 0.000 1.072 119 N CA 0.791 53.896 53.050 0.092 0.000 0.710 119 N CB -0.720 37.828 38.487 0.102 0.000 0.993 119 N HN 1.238 nan 8.380 nan 0.000 0.547 120 G N -1.039 107.783 108.800 0.036 0.000 2.162 120 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.260 120 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.260 120 G C -0.040 174.888 174.900 0.048 0.000 0.976 120 G CA 0.529 45.644 45.100 0.026 0.000 0.655 120 G HN 0.690 nan 8.290 nan 0.000 0.533 121 S N 0.580 116.323 115.700 0.071 0.000 2.473 121 S HA 0.707 5.177 4.470 -0.000 0.000 0.307 121 S C -2.617 172.043 174.600 0.099 0.000 1.094 121 S CA -1.386 56.864 58.200 0.084 0.000 1.070 121 S CB 1.888 65.145 63.200 0.094 0.000 1.019 121 S HN 0.042 nan 8.310 nan 0.000 0.480 122 P HA 0.153 nan 4.420 nan 0.000 0.267 122 P C -0.144 177.235 177.300 0.132 0.000 1.205 122 P CA 0.123 63.281 63.100 0.097 0.000 0.765 122 P CB 1.069 32.819 31.700 0.082 0.000 0.828 123 S N 2.002 117.800 115.700 0.163 0.000 2.691 123 S HA 0.462 4.932 4.470 -0.000 0.000 0.241 123 S C 0.572 175.268 174.600 0.159 0.000 1.077 123 S CA 0.734 59.057 58.200 0.204 0.000 0.900 123 S CB -0.110 63.310 63.200 0.367 0.000 0.805 123 S HN 0.586 nan 8.310 nan 0.000 0.529 124 G N 0.046 108.939 108.800 0.155 0.000 2.523 124 G HA2 0.509 4.469 3.960 -0.000 0.000 0.291 124 G HA3 0.509 4.469 3.960 -0.000 0.000 0.291 124 G C -2.092 172.881 174.900 0.122 0.000 1.450 124 G CA -0.042 45.141 45.100 0.139 0.000 0.790 124 G HN 0.586 nan 8.290 nan 0.000 0.496 125 V N 0.657 120.634 119.914 0.105 0.000 2.735 125 V HA 0.938 5.058 4.120 -0.000 0.000 0.310 125 V C -1.322 174.799 176.094 0.045 0.000 1.061 125 V CA -0.811 61.507 62.300 0.030 0.000 0.913 125 V CB 1.414 33.292 31.823 0.092 0.000 1.005 125 V HN 1.376 nan 8.190 nan 0.000 0.428 126 Y N 2.730 122.993 120.300 -0.061 0.000 2.625 126 Y HA 0.812 5.362 4.550 -0.000 0.000 0.338 126 Y C -0.875 174.904 175.900 -0.202 0.000 1.123 126 Y CA -1.335 56.685 58.100 -0.133 0.000 1.046 126 Y CB 1.512 39.872 38.460 -0.166 0.000 1.299 126 Y HN 0.606 nan 8.280 nan 0.000 0.464 127 Q N 1.790 121.565 119.800 -0.042 0.000 2.256 127 Q HA 0.772 5.112 4.340 -0.000 0.000 0.257 127 Q C -0.874 174.980 176.000 -0.244 0.000 0.936 127 Q CA -0.297 55.374 55.803 -0.220 0.000 0.903 127 Q CB 1.552 30.143 28.738 -0.245 0.000 1.263 127 Q HN 1.082 nan 8.270 nan 0.000 0.440 128 C N 0.521 119.547 119.300 -0.457 0.000 3.332 128 C HA 1.042 5.502 4.460 -0.000 0.000 0.329 128 C C -0.931 173.664 174.990 -0.657 0.000 1.434 128 C CA -0.626 58.094 59.018 -0.498 0.000 1.314 128 C CB 0.901 28.401 27.740 -0.399 0.000 1.664 128 C HN 0.982 nan 8.230 nan 0.000 0.457 129 A N 0.913 123.442 122.820 -0.486 0.000 2.355 129 A HA 0.800 5.120 4.320 -0.000 0.000 0.324 129 A C -0.499 176.930 177.584 -0.258 0.000 1.117 129 A CA -0.422 51.401 52.037 -0.358 0.000 0.785 129 A CB 1.180 20.029 19.000 -0.250 0.000 1.254 129 A HN 1.509 nan 8.150 nan 0.000 0.453 130 M N 2.836 122.377 119.600 -0.098 0.000 2.194 130 M HA 0.322 4.802 4.480 -0.000 0.000 0.347 130 M C 0.225 176.484 176.300 -0.069 0.000 1.439 130 M CA -0.124 55.167 55.300 -0.015 0.000 1.131 130 M CB 0.042 32.651 32.600 0.015 0.000 1.733 130 M HN 0.610 nan 8.290 nan 0.000 0.467 131 R N 5.414 125.879 120.500 -0.058 0.000 2.738 131 R HA 0.200 4.540 4.340 -0.000 0.000 0.268 131 R C -1.793 174.444 176.300 -0.105 0.000 1.062 131 R CA -2.040 54.017 56.100 -0.072 0.000 1.158 131 R CB -0.814 29.465 30.300 -0.034 0.000 1.046 131 R HN 0.473 nan 8.270 nan 0.000 0.493 132 P HA -0.126 nan 4.420 nan 0.000 0.219 132 P C 0.511 177.675 177.300 -0.228 0.000 1.146 132 P CA 1.298 64.310 63.100 -0.148 0.000 0.808 132 P CB 0.144 31.796 31.700 -0.081 0.000 0.779 133 N N -1.752 116.896 118.700 -0.086 0.000 2.434 133 N HA -0.121 4.619 4.740 -0.000 0.000 0.196 133 N C 0.222 175.874 175.510 0.237 0.000 1.183 133 N CA 0.179 53.262 53.050 0.055 0.000 0.849 133 N CB -1.239 37.328 38.487 0.134 0.000 0.992 133 N HN 0.269 nan 8.380 nan 0.000 0.460 134 H N -2.422 116.764 119.070 0.192 0.000 3.642 134 H HA -0.156 4.400 4.556 -0.001 0.000 0.185 134 H C -0.208 175.327 175.328 0.346 0.000 0.992 134 H CA 1.346 57.563 56.048 0.281 0.000 1.216 134 H CB -2.416 27.561 29.762 0.358 0.000 1.055 134 H HN 0.623 nan 8.280 nan 0.000 0.351 135 T N -0.336 114.421 114.554 0.338 0.000 2.912 135 T HA 0.699 5.049 4.350 -0.000 0.000 0.280 135 T C 0.790 175.572 174.700 0.136 0.000 0.989 135 T CA -0.482 61.765 62.100 0.245 0.000 0.995 135 T CB 2.683 71.635 68.868 0.141 0.000 1.077 135 T HN 0.407 nan 8.240 nan 0.000 0.531 136 I N -1.960 118.695 120.570 0.142 0.000 2.689 136 I HA 0.614 4.784 4.170 -0.000 0.000 0.299 136 I C -0.924 175.257 176.117 0.106 0.000 1.059 136 I CA -1.379 59.962 61.300 0.069 0.000 1.055 136 I CB 2.260 40.273 38.000 0.021 0.000 1.243 136 I HN 0.539 nan 8.210 nan 0.000 0.425 137 K N 4.456 124.858 120.400 0.004 0.000 2.231 137 K HA 0.412 4.732 4.320 -0.000 0.000 0.255 137 K C 0.511 177.083 176.600 -0.048 0.000 1.108 137 K CA -0.163 56.116 56.287 -0.013 0.000 0.997 137 K CB 1.192 33.639 32.500 -0.089 0.000 1.549 137 K HN 0.955 nan 8.250 nan 0.000 0.419 138 G N 0.576 109.433 108.800 0.096 0.000 3.695 138 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.277 138 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.277 138 G C -0.366 174.088 174.900 -0.743 0.000 1.001 138 G CA -0.404 44.493 45.100 -0.337 0.000 0.837 138 G HN 0.391 nan 8.290 nan 0.000 0.492 139 S N -0.327 115.185 115.700 -0.314 0.000 3.488 139 S HA -0.170 4.300 4.470 -0.000 0.000 0.492 139 S C -0.790 173.508 174.600 -0.503 0.000 0.779 139 S CA 0.325 58.327 58.200 -0.330 0.000 1.378 139 S CB -1.525 61.416 63.200 -0.432 0.000 0.924 139 S HN 0.346 nan 8.310 nan 0.000 0.719 140 F N 1.785 121.586 119.950 -0.248 0.000 2.499 140 F HA 0.547 5.073 4.527 -0.001 0.000 0.333 140 F C 0.498 176.359 175.800 0.101 0.000 1.138 140 F CA -0.860 57.022 58.000 -0.197 0.000 0.945 140 F CB 1.031 39.623 39.000 -0.680 0.000 1.181 140 F HN 0.281 nan 8.300 nan 0.000 0.435 141 L N 2.437 123.943 121.223 0.472 0.000 2.456 141 L HA 0.325 4.665 4.340 -0.000 0.000 0.257 141 L C 0.652 177.778 176.870 0.427 0.000 1.162 141 L CA -0.678 54.378 54.840 0.360 0.000 0.808 141 L CB 0.495 42.652 42.059 0.164 0.000 1.136 141 L HN 0.522 nan 8.230 nan 0.000 0.466 142 N N 0.941 119.805 118.700 0.274 0.000 2.359 142 N HA 0.060 4.800 4.740 -0.000 0.000 0.261 142 N C 0.716 176.418 175.510 0.320 0.000 1.267 142 N CA 0.864 54.061 53.050 0.245 0.000 0.864 142 N CB 0.285 38.864 38.487 0.153 0.000 1.063 142 N HN 0.904 nan 8.380 nan 0.000 0.474 143 G N 0.696 109.669 108.800 0.288 0.000 2.184 143 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.206 143 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.206 143 G C 0.776 175.784 174.900 0.179 0.000 0.995 143 G CA 0.239 45.505 45.100 0.277 0.000 0.651 143 G HN 0.646 nan 8.290 nan 0.000 0.511 144 S N -0.863 114.919 115.700 0.136 0.000 2.603 144 S HA 0.271 4.741 4.470 -0.000 0.000 0.220 144 S C 1.275 175.840 174.600 -0.058 0.000 0.967 144 S CA 0.509 58.612 58.200 -0.161 0.000 0.920 144 S CB -0.249 62.944 63.200 -0.012 0.000 0.773 144 S HN 0.802 nan 8.310 nan 0.000 0.529 145 C N 2.350 121.653 119.300 0.006 0.000 2.597 145 C HA 0.509 4.969 4.460 -0.000 0.000 0.412 145 C C 1.953 176.823 174.990 -0.200 0.000 1.348 145 C CA 0.800 59.742 59.018 -0.127 0.000 1.769 145 C CB -0.651 27.028 27.740 -0.102 0.000 2.641 145 C HN 0.926 nan 8.230 nan 0.000 0.612 146 G N 2.796 111.419 108.800 -0.295 0.000 2.213 146 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.236 146 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.236 146 G C 0.252 175.050 174.900 -0.170 0.000 0.991 146 G CA 0.226 45.166 45.100 -0.267 0.000 0.629 146 G HN 0.776 nan 8.290 nan 0.000 0.517 147 S N 0.103 115.733 115.700 -0.118 0.000 2.572 147 S HA 0.532 5.001 4.470 -0.000 0.000 0.279 147 S C 0.612 175.245 174.600 0.056 0.000 1.341 147 S CA 0.229 58.422 58.200 -0.012 0.000 1.043 147 S CB 1.819 65.050 63.200 0.051 0.000 0.887 147 S HN 1.610 nan 8.310 nan 0.000 0.516 148 V N -0.069 119.940 119.914 0.158 0.000 2.919 148 V HA 1.015 5.135 4.120 -0.000 0.000 0.316 148 V C 0.269 176.652 176.094 0.481 0.000 1.077 148 V CA -0.891 61.562 62.300 0.256 0.000 0.977 148 V CB 1.492 33.429 31.823 0.189 0.000 1.039 148 V HN 0.844 nan 8.190 nan 0.000 0.441 149 G N 1.918 111.013 108.800 0.492 0.000 2.400 149 G HA2 0.843 4.803 3.960 -0.000 0.000 0.333 149 G HA3 0.843 4.803 3.960 -0.000 0.000 0.333 149 G C -1.202 173.917 174.900 0.365 0.000 1.143 149 G CA -0.594 44.768 45.100 0.437 0.000 0.914 149 G HN 1.553 nan 8.290 nan 0.000 0.480 150 F N -0.885 119.151 119.950 0.144 0.000 2.773 150 F HA 0.702 5.229 4.527 -0.000 0.000 0.314 150 F C -1.234 174.525 175.800 -0.069 0.000 1.160 150 F CA -1.587 56.379 58.000 -0.056 0.000 0.920 150 F CB 1.342 40.210 39.000 -0.220 0.000 1.323 150 F HN 0.429 nan 8.300 nan 0.000 0.457 151 N N 0.217 118.811 118.700 -0.177 0.000 2.284 151 N HA 0.759 5.499 4.740 -0.000 0.000 0.289 151 N C -1.862 173.214 175.510 -0.723 0.000 1.179 151 N CA -0.717 51.977 53.050 -0.594 0.000 0.774 151 N CB 2.895 41.175 38.487 -0.346 0.000 1.548 151 N HN 0.623 nan 8.380 nan 0.000 0.473 152 I N 0.576 120.261 120.570 -1.474 0.000 2.466 152 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 152 I C -1.167 174.628 176.117 -0.536 0.000 1.026 152 I CA -0.549 60.306 61.300 -0.742 0.000 1.078 152 I CB 1.873 39.632 38.000 -0.401 0.000 1.249 152 I HN 0.477 nan 8.210 nan 0.000 0.429 153 D N 5.848 126.054 120.400 -0.324 0.000 2.462 153 D HA 0.455 5.095 4.640 -0.000 0.000 0.245 153 D C -0.172 175.962 176.300 -0.276 0.000 1.122 153 D CA 0.245 54.014 54.000 -0.384 0.000 0.864 153 D CB 0.621 41.172 40.800 -0.416 0.000 1.098 153 D HN 0.504 nan 8.370 nan 0.000 0.541 154 Y N 1.595 121.926 120.300 0.052 0.000 2.865 154 Y HA -0.449 4.101 4.550 0.000 0.000 0.468 154 Y C 1.320 177.235 175.900 0.024 0.000 1.179 154 Y CA 1.058 59.184 58.100 0.044 0.000 2.593 154 Y CB -1.031 37.445 38.460 0.027 0.000 1.207 154 Y HN 0.531 nan 8.280 nan 0.000 0.626 155 D N 0.013 120.542 120.400 0.215 0.000 2.433 155 D HA 0.174 4.814 4.640 -0.000 0.000 0.211 155 D C -0.175 176.153 176.300 0.046 0.000 1.114 155 D CA 0.487 54.545 54.000 0.096 0.000 0.837 155 D CB -0.121 40.725 40.800 0.076 0.000 0.984 155 D HN 0.348 nan 8.370 nan 0.000 0.505 156 C N 1.591 120.916 119.300 0.043 0.000 2.285 156 C HA 0.543 5.003 4.460 -0.000 0.000 0.335 156 C C 0.100 175.033 174.990 -0.095 0.000 1.267 156 C CA -0.464 58.549 59.018 -0.008 0.000 1.762 156 C CB -0.182 27.567 27.740 0.015 0.000 2.365 156 C HN 0.111 nan 8.230 nan 0.000 0.527 157 V N 7.310 127.150 119.914 -0.122 0.000 2.408 157 V HA 0.254 4.374 4.120 -0.000 0.000 0.267 157 V C 0.530 176.447 176.094 -0.296 0.000 1.047 157 V CA 0.296 62.413 62.300 -0.305 0.000 0.937 157 V CB 1.298 32.800 31.823 -0.535 0.000 0.999 157 V HN 0.968 nan 8.190 nan 0.000 0.472 158 S N 6.073 121.616 115.700 -0.262 0.000 2.415 158 S HA 0.527 4.997 4.470 -0.000 0.000 0.313 158 S C -0.364 174.175 174.600 -0.102 0.000 1.067 158 S CA -0.334 57.801 58.200 -0.108 0.000 1.099 158 S CB -0.114 63.032 63.200 -0.090 0.000 0.991 158 S HN 0.447 nan 8.310 nan 0.000 0.491 159 F N 1.881 121.935 119.950 0.173 0.000 2.456 159 F HA 0.223 4.750 4.527 -0.000 0.000 0.358 159 F C 1.543 177.349 175.800 0.009 0.000 1.095 159 F CA -0.786 57.274 58.000 0.099 0.000 1.216 159 F CB 0.509 39.532 39.000 0.039 0.000 1.125 159 F HN 0.707 nan 8.300 nan 0.000 0.549 160 C N 1.465 120.837 119.300 0.120 0.000 3.882 160 C HA 0.439 4.899 4.460 -0.000 0.000 0.340 160 C C -0.532 174.488 174.990 0.051 0.000 1.563 160 C CA -0.739 58.292 59.018 0.022 0.000 1.870 160 C CB -1.192 26.485 27.740 -0.104 0.000 2.795 160 C HN 0.725 nan 8.230 nan 0.000 0.692 161 Y N 0.960 121.166 120.300 -0.157 0.000 2.519 161 Y HA 0.679 5.229 4.550 -0.001 0.000 0.336 161 Y C -1.236 174.643 175.900 -0.035 0.000 1.089 161 Y CA -1.076 56.958 58.100 -0.111 0.000 1.025 161 Y CB 1.564 39.779 38.460 -0.407 0.000 1.318 161 Y HN 0.258 nan 8.280 nan 0.000 0.452 162 M N 5.704 124.898 119.600 -0.677 0.000 2.263 162 M HA 0.327 4.807 4.480 -0.000 0.000 0.295 162 M C -1.879 173.935 176.300 -0.810 0.000 1.028 162 M CA -0.805 54.171 55.300 -0.540 0.000 0.921 162 M CB 1.015 33.396 32.600 -0.366 0.000 1.601 162 M HN 0.940 nan 8.290 nan 0.000 0.440 163 H N 3.433 122.099 119.070 -0.675 0.000 2.848 163 H HA 0.216 4.772 4.556 -0.000 0.000 0.317 163 H C -0.155 174.943 175.328 -0.384 0.000 1.046 163 H CA 1.199 56.936 56.048 -0.520 0.000 1.470 163 H CB 0.503 29.880 29.762 -0.641 0.000 1.483 163 H HN 0.693 nan 8.280 nan 0.000 0.548 164 H N 4.322 122.974 119.070 -0.697 0.000 2.657 164 H HA 0.163 4.719 4.556 -0.000 0.000 0.262 164 H C 0.274 175.391 175.328 -0.351 0.000 0.965 164 H CA 0.785 56.625 56.048 -0.348 0.000 1.184 164 H CB 0.771 30.476 29.762 -0.095 0.000 1.443 164 H HN 0.628 nan 8.280 nan 0.000 0.462 165 M N -0.468 118.956 119.600 -0.292 0.000 2.949 165 M HA 0.414 4.894 4.480 -0.000 0.000 0.270 165 M C -1.726 174.685 176.300 0.184 0.000 1.221 165 M CA -0.844 54.414 55.300 -0.070 0.000 0.818 165 M CB 3.386 35.998 32.600 0.020 0.000 1.635 165 M HN -0.154 nan 8.290 nan 0.000 0.492 166 E N 1.114 121.434 120.200 0.200 0.000 2.187 166 E HA 0.702 5.052 4.350 -0.000 0.000 0.268 166 E C -1.827 174.794 176.600 0.035 0.000 0.896 166 E CA -0.710 55.831 56.400 0.235 0.000 0.766 166 E CB 2.098 31.998 29.700 0.333 0.000 1.142 166 E HN 0.681 nan 8.360 nan 0.000 0.408 167 L N 5.366 126.549 121.223 -0.067 0.000 2.439 167 L HA 0.344 4.684 4.340 -0.000 0.000 0.259 167 L C -1.247 175.592 176.870 -0.052 0.000 1.129 167 L CA -1.732 53.052 54.840 -0.094 0.000 0.803 167 L CB 0.676 42.630 42.059 -0.176 0.000 1.161 167 L HN 0.606 nan 8.230 nan 0.000 0.462 168 P HA -0.192 nan 4.420 nan 0.000 0.218 168 P C 1.063 178.352 177.300 -0.018 0.000 1.146 168 P CA 1.640 64.734 63.100 -0.011 0.000 0.820 168 P CB -0.197 31.504 31.700 0.002 0.000 0.778 169 T N -5.348 109.186 114.554 -0.033 0.000 3.113 169 T HA 0.322 4.672 4.350 -0.000 0.000 0.256 169 T C 1.570 176.234 174.700 -0.061 0.000 1.131 169 T CA 0.688 62.766 62.100 -0.037 0.000 1.074 169 T CB -0.629 68.220 68.868 -0.032 0.000 0.944 169 T HN 0.281 nan 8.240 nan 0.000 0.516 170 G N 0.896 109.642 108.800 -0.091 0.000 2.176 170 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.232 170 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.232 170 G C 0.132 174.825 174.900 -0.345 0.000 0.986 170 G CA -0.054 44.969 45.100 -0.127 0.000 0.643 170 G HN 1.234 nan 8.290 nan 0.000 0.522 171 V N -1.974 117.737 119.914 -0.338 0.000 3.134 171 V HA 0.896 5.016 4.120 -0.000 0.000 0.313 171 V C 0.338 176.086 176.094 -0.575 0.000 1.069 171 V CA -1.096 60.950 62.300 -0.423 0.000 1.048 171 V CB 1.146 32.880 31.823 -0.148 0.000 1.119 171 V HN 0.346 nan 8.190 nan 0.000 0.461 172 H N 0.254 119.436 119.070 0.187 0.000 2.621 172 H HA 0.892 5.449 4.556 0.001 0.000 0.360 172 H C -0.019 175.484 175.328 0.292 0.000 1.163 172 H CA 0.123 56.367 56.048 0.325 0.000 1.194 172 H CB 1.826 31.936 29.762 0.580 0.000 1.649 172 H HN 1.148 nan 8.280 nan 0.000 0.532 173 A N 1.083 124.157 122.820 0.423 0.000 2.413 173 A HA 0.855 5.175 4.320 -0.000 0.000 0.307 173 A C -0.177 177.735 177.584 0.546 0.000 1.087 173 A CA -0.002 52.282 52.037 0.410 0.000 0.750 173 A CB 1.551 20.550 19.000 -0.000 0.000 1.296 173 A HN 0.891 nan 8.150 nan 0.000 0.423 174 G N -0.749 108.367 108.800 0.527 0.000 2.634 174 G HA2 0.745 4.705 3.960 -0.000 0.000 0.309 174 G HA3 0.745 4.705 3.960 -0.000 0.000 0.309 174 G C -0.450 174.181 174.900 -0.448 0.000 1.299 174 G CA 0.376 45.399 45.100 -0.128 0.000 0.798 174 G HN 1.583 nan 8.290 nan 0.000 0.490 175 T N -1.933 112.238 114.554 -0.639 0.000 2.858 175 T HA 0.681 5.031 4.350 -0.000 0.000 0.285 175 T C -0.554 173.976 174.700 -0.283 0.000 1.052 175 T CA -0.046 61.700 62.100 -0.590 0.000 1.009 175 T CB 1.925 70.303 68.868 -0.816 0.000 1.241 175 T HN 0.759 nan 8.240 nan 0.000 0.542 176 D N 0.147 120.297 120.400 -0.417 0.000 2.478 176 D HA 0.201 4.841 4.640 -0.000 0.000 0.269 176 D C 1.012 177.106 176.300 -0.343 0.000 1.232 176 D CA -1.066 52.784 54.000 -0.250 0.000 1.059 176 D CB 0.115 40.732 40.800 -0.306 0.000 1.104 176 D HN 0.291 nan 8.370 nan 0.000 0.566 177 L N -0.569 120.379 121.223 -0.459 0.000 2.645 177 L HA 0.107 4.447 4.340 -0.000 0.000 0.235 177 L C 1.290 177.782 176.870 -0.629 0.000 1.150 177 L CA 0.916 55.247 54.840 -0.848 0.000 0.911 177 L CB -1.219 39.717 42.059 -1.870 0.000 1.077 177 L HN 0.614 nan 8.230 nan 0.000 0.438 178 E N -0.619 119.396 120.200 -0.309 0.000 2.498 178 E HA 0.159 4.509 4.350 -0.000 0.000 0.203 178 E C 1.260 177.777 176.600 -0.139 0.000 1.013 178 E CA 0.478 56.803 56.400 -0.124 0.000 0.927 178 E CB 0.462 30.125 29.700 -0.063 0.000 1.012 178 E HN 0.411 nan 8.360 nan 0.000 0.482 179 G N 1.877 110.544 108.800 -0.222 0.000 2.141 179 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.242 179 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.242 179 G C -0.117 174.621 174.900 -0.269 0.000 0.982 179 G CA 0.017 44.981 45.100 -0.226 0.000 0.662 179 G HN -0.005 nan 8.290 nan 0.000 0.527 180 K N 0.268 120.497 120.400 -0.285 0.000 2.248 180 K HA 0.497 4.817 4.320 -0.000 0.000 0.281 180 K C 0.243 176.630 176.600 -0.353 0.000 1.054 180 K CA -0.891 55.248 56.287 -0.247 0.000 0.903 180 K CB 0.744 33.117 32.500 -0.212 0.000 1.077 180 K HN 0.115 nan 8.250 nan 0.000 0.474 181 F N 1.809 121.602 119.950 -0.262 0.000 2.602 181 F HA -0.063 4.465 4.527 0.001 0.000 0.367 181 F C 0.657 176.356 175.800 -0.168 0.000 1.126 181 F CA 0.492 58.382 58.000 -0.185 0.000 1.321 181 F CB 0.287 39.236 39.000 -0.086 0.000 1.094 181 F HN 0.364 nan 8.300 nan 0.000 0.594 182 Y N 2.166 122.613 120.300 0.244 0.000 2.327 182 Y HA 0.482 5.032 4.550 -0.001 0.000 0.336 182 Y C 0.742 176.791 175.900 0.248 0.000 1.035 182 Y CA 0.212 58.458 58.100 0.243 0.000 1.165 182 Y CB 0.803 39.481 38.460 0.362 0.000 1.181 182 Y HN 0.837 nan 8.280 nan 0.000 0.494 183 G N 4.336 113.049 108.800 -0.145 0.000 2.685 183 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.387 183 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.387 183 G C -2.236 172.376 174.900 -0.480 0.000 1.324 183 G CA -0.579 44.214 45.100 -0.512 0.000 0.878 183 G HN 0.502 nan 8.290 nan 0.000 0.527 184 P HA 0.249 nan 4.420 nan 0.000 0.255 184 P C 0.490 177.471 177.300 -0.532 0.000 1.248 184 P CA -0.047 62.735 63.100 -0.530 0.000 0.807 184 P CB -0.005 31.422 31.700 -0.455 0.000 1.150 185 F N 1.708 121.537 119.950 -0.201 0.000 2.589 185 F HA 0.127 4.653 4.527 -0.001 0.000 0.352 185 F C 1.426 176.678 175.800 -0.914 0.000 1.168 185 F CA -0.351 57.384 58.000 -0.442 0.000 1.353 185 F CB -0.237 38.552 39.000 -0.352 0.000 1.116 185 F HN -0.199 nan 8.300 nan 0.000 0.608 186 V N -1.491 118.071 119.914 -0.587 0.000 3.001 186 V HA 0.535 4.655 4.120 -0.000 0.000 0.314 186 V C -0.942 174.885 176.094 -0.445 0.000 1.099 186 V CA -1.259 60.691 62.300 -0.584 0.000 0.989 186 V CB 2.016 33.711 31.823 -0.215 0.000 1.040 186 V HN 0.674 nan 8.190 nan 0.000 0.434 187 D N 2.101 122.403 120.400 -0.163 0.000 2.558 187 D HA 0.436 5.076 4.640 -0.000 0.000 0.221 187 D C 0.107 176.486 176.300 0.132 0.000 1.143 187 D CA -0.207 53.841 54.000 0.080 0.000 1.010 187 D CB -0.257 40.722 40.800 0.298 0.000 1.068 187 D HN 0.906 nan 8.370 nan 0.000 0.511 188 R N -0.587 119.930 120.500 0.030 0.000 2.687 188 R HA 0.284 4.624 4.340 -0.000 0.000 0.265 188 R C -1.109 175.186 176.300 -0.009 0.000 1.048 188 R CA -0.928 55.190 56.100 0.030 0.000 0.884 188 R CB 0.690 31.019 30.300 0.049 0.000 1.258 188 R HN -0.076 nan 8.270 nan 0.000 0.469 189 Q N 1.882 121.675 119.800 -0.011 0.000 2.276 189 Q HA 0.172 4.512 4.340 -0.000 0.000 0.267 189 Q C -0.394 175.601 176.000 -0.007 0.000 1.135 189 Q CA 0.848 56.644 55.803 -0.011 0.000 0.910 189 Q CB 0.834 29.567 28.738 -0.009 0.000 1.271 189 Q HN 0.758 nan 8.270 nan 0.000 0.417 190 T N -2.280 112.271 114.554 -0.004 0.000 2.681 190 T HA 0.543 4.893 4.350 -0.000 0.000 0.296 190 T C 0.364 175.070 174.700 0.009 0.000 1.157 190 T CA -0.334 61.766 62.100 0.000 0.000 1.025 190 T CB 0.908 69.774 68.868 -0.003 0.000 1.441 190 T HN 0.301 nan 8.240 nan 0.000 0.504 191 A N 0.179 123.006 122.820 0.011 0.000 2.235 191 A HA 0.190 4.510 4.320 -0.000 0.000 0.208 191 A C 1.182 178.787 177.584 0.036 0.000 1.172 191 A CA 0.075 52.123 52.037 0.018 0.000 0.786 191 A CB -1.195 17.813 19.000 0.013 0.000 0.804 191 A HN 0.809 nan 8.150 nan 0.000 0.479 192 Q N -0.492 119.339 119.800 0.051 0.000 2.333 192 Q HA 0.413 4.753 4.340 -0.000 0.000 0.299 192 Q C -0.145 175.932 176.000 0.128 0.000 1.067 192 Q CA 0.523 56.391 55.803 0.108 0.000 0.943 192 Q CB 0.276 29.117 28.738 0.171 0.000 1.233 192 Q HN 0.407 nan 8.270 nan 0.000 0.401 193 A N 1.460 124.389 122.820 0.181 0.000 2.539 193 A HA 0.729 5.049 4.320 -0.000 0.000 0.296 193 A C -0.922 176.828 177.584 0.278 0.000 1.073 193 A CA -0.491 51.641 52.037 0.158 0.000 0.700 193 A CB 1.590 20.643 19.000 0.089 0.000 1.296 193 A HN 1.002 nan 8.150 nan 0.000 0.405 194 A N 0.630 123.576 122.820 0.211 0.000 2.511 194 A HA 0.523 4.842 4.320 -0.000 0.000 0.242 194 A C 0.948 178.657 177.584 0.207 0.000 1.069 194 A CA 0.587 52.793 52.037 0.282 0.000 0.763 194 A CB -0.332 18.750 19.000 0.137 0.000 1.001 194 A HN 1.955 nan 8.150 nan 0.000 0.498 195 G N 0.755 109.688 108.800 0.222 0.000 2.588 195 G HA2 0.462 4.422 3.960 -0.000 0.000 0.278 195 G HA3 0.462 4.422 3.960 -0.000 0.000 0.278 195 G C 0.479 175.435 174.900 0.093 0.000 1.307 195 G CA 0.236 45.412 45.100 0.126 0.000 1.016 195 G HN 1.273 nan 8.290 nan 0.000 0.503 196 T N -1.411 113.180 114.554 0.063 0.000 2.940 196 T HA 0.311 4.661 4.350 -0.000 0.000 0.309 196 T C -0.443 174.281 174.700 0.040 0.000 1.056 196 T CA -0.184 61.941 62.100 0.042 0.000 1.137 196 T CB 1.382 70.268 68.868 0.031 0.000 0.976 196 T HN 0.414 nan 8.240 nan 0.000 0.547 197 D N 0.541 120.954 120.400 0.021 0.000 2.374 197 D HA 0.666 5.306 4.640 -0.000 0.000 0.239 197 D C -0.272 176.017 176.300 -0.018 0.000 0.991 197 D CA -0.343 53.657 54.000 0.001 0.000 0.960 197 D CB 2.113 42.908 40.800 -0.008 0.000 1.284 197 D HN 0.884 nan 8.370 nan 0.000 0.512 198 T N -2.099 112.430 114.554 -0.043 0.000 2.901 198 T HA 0.578 4.928 4.350 -0.000 0.000 0.293 198 T C -0.285 174.326 174.700 -0.148 0.000 1.084 198 T CA -0.807 61.254 62.100 -0.066 0.000 1.008 198 T CB 1.184 70.034 68.868 -0.029 0.000 1.170 198 T HN 0.171 nan 8.240 nan 0.000 0.509 199 T N 1.746 116.134 114.554 -0.276 0.000 2.897 199 T HA 0.385 4.735 4.350 -0.000 0.000 0.294 199 T C 0.472 174.951 174.700 -0.369 0.000 1.004 199 T CA -0.396 61.433 62.100 -0.453 0.000 1.106 199 T CB -0.046 68.238 68.868 -0.973 0.000 0.949 199 T HN 0.512 nan 8.240 nan 0.000 0.520 200 I N 3.973 124.386 120.570 -0.261 0.000 2.349 200 I HA 0.039 4.209 4.170 -0.000 0.000 0.302 200 I C 1.796 177.852 176.117 -0.102 0.000 1.180 200 I CA -0.186 61.024 61.300 -0.151 0.000 1.405 200 I CB -0.137 37.788 38.000 -0.124 0.000 1.474 200 I HN 0.743 nan 8.210 nan 0.000 0.632 201 T N 4.524 119.071 114.554 -0.012 0.000 2.653 201 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 201 T C 1.862 176.633 174.700 0.119 0.000 1.035 201 T CA 1.560 63.778 62.100 0.196 0.000 1.154 201 T CB -0.142 68.951 68.868 0.375 0.000 0.862 201 T HN 0.517 nan 8.240 nan 0.000 0.441 202 L N 1.943 123.161 121.223 -0.007 0.000 2.042 202 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 202 L C 1.872 178.766 176.870 0.039 0.000 1.076 202 L CA 1.789 56.604 54.840 -0.040 0.000 0.749 202 L CB -0.888 41.029 42.059 -0.236 0.000 0.893 202 L HN 0.122 nan 8.230 nan 0.000 0.432 203 N N -0.741 117.977 118.700 0.030 0.000 2.142 203 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 203 N C 1.910 177.507 175.510 0.145 0.000 1.023 203 N CA 1.597 54.700 53.050 0.089 0.000 0.852 203 N CB -0.596 37.913 38.487 0.036 0.000 0.998 203 N HN 0.273 nan 8.380 nan 0.000 0.424 204 V N 1.619 121.599 119.914 0.110 0.000 2.287 204 V HA -0.197 3.922 4.120 -0.000 0.000 0.248 204 V C 2.338 178.549 176.094 0.195 0.000 1.053 204 V CA 1.302 63.700 62.300 0.163 0.000 1.027 204 V CB -0.592 31.358 31.823 0.213 0.000 0.646 204 V HN 0.236 nan 8.190 nan 0.000 0.447 205 L N -0.045 121.261 121.223 0.138 0.000 2.046 205 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 205 L C 2.748 179.727 176.870 0.182 0.000 1.077 205 L CA 1.563 56.453 54.840 0.083 0.000 0.747 205 L CB -0.820 41.288 42.059 0.082 0.000 0.896 205 L HN 0.357 nan 8.230 nan 0.000 0.432 206 A N -0.619 122.337 122.820 0.228 0.000 1.908 206 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 206 A C 2.014 179.714 177.584 0.193 0.000 1.181 206 A CA 1.831 54.017 52.037 0.250 0.000 0.627 206 A CB -1.123 18.006 19.000 0.214 0.000 0.818 206 A HN 0.633 nan 8.150 nan 0.000 0.445 207 W N 0.646 121.912 121.300 -0.056 0.000 2.358 207 W HA -0.122 4.539 4.660 0.001 0.000 0.303 207 W C 1.803 178.135 176.519 -0.312 0.000 1.208 207 W CA 1.766 58.965 57.345 -0.244 0.000 1.274 207 W CB -0.352 29.023 29.460 -0.142 0.000 1.138 207 W HN 0.258 nan 8.180 nan 0.000 0.515 208 L N -0.711 120.395 121.223 -0.195 0.000 2.042 208 L HA -0.284 4.056 4.340 -0.000 0.000 0.210 208 L C 2.333 178.986 176.870 -0.361 0.000 1.076 208 L CA 1.422 55.948 54.840 -0.524 0.000 0.749 208 L CB -1.216 40.524 42.059 -0.531 0.000 0.893 208 L HN -0.004 nan 8.230 nan 0.000 0.432 209 Y N -0.004 120.193 120.300 -0.172 0.000 2.181 209 Y HA -0.228 4.322 4.550 -0.000 0.000 0.288 209 Y C 2.654 178.418 175.900 -0.226 0.000 1.146 209 Y CA 1.145 59.164 58.100 -0.135 0.000 1.164 209 Y CB -0.733 37.675 38.460 -0.087 0.000 0.982 209 Y HN 0.124 nan 8.280 nan 0.000 0.515 210 A N 0.069 122.755 122.820 -0.222 0.000 1.883 210 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 210 A C 2.492 179.787 177.584 -0.482 0.000 1.186 210 A CA 2.074 53.829 52.037 -0.470 0.000 0.624 210 A CB -1.354 16.987 19.000 -1.099 0.000 0.822 210 A HN 0.415 nan 8.150 nan 0.000 0.444 211 A N -0.615 121.846 122.820 -0.599 0.000 1.892 211 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 211 A C 2.262 179.738 177.584 -0.179 0.000 1.188 211 A CA 2.048 53.822 52.037 -0.437 0.000 0.631 211 A CB -1.051 17.654 19.000 -0.490 0.000 0.822 211 A HN 0.450 nan 8.150 nan 0.000 0.447 212 V N 0.167 120.022 119.914 -0.098 0.000 2.295 212 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 212 V C 2.419 178.468 176.094 -0.075 0.000 1.049 212 V CA 1.975 64.221 62.300 -0.090 0.000 1.024 212 V CB -0.680 31.109 31.823 -0.057 0.000 0.648 212 V HN 0.580 nan 8.190 nan 0.000 0.447 213 I N 0.484 121.019 120.570 -0.059 0.000 2.264 213 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 213 I C 1.827 177.912 176.117 -0.052 0.000 1.111 213 I CA 1.428 62.701 61.300 -0.045 0.000 1.382 213 I CB -0.439 37.538 38.000 -0.039 0.000 1.060 213 I HN 0.382 nan 8.210 nan 0.000 0.418 214 N N 1.254 119.907 118.700 -0.078 0.000 2.485 214 N HA 0.004 4.744 4.740 -0.000 0.000 0.199 214 N C 1.021 176.502 175.510 -0.049 0.000 1.236 214 N CA 0.925 53.941 53.050 -0.056 0.000 0.852 214 N CB 0.331 38.775 38.487 -0.071 0.000 1.018 214 N HN 0.509 nan 8.380 nan 0.000 0.457 215 G N 1.516 110.281 108.800 -0.057 0.000 2.198 215 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.257 215 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.257 215 G C -0.504 174.359 174.900 -0.061 0.000 1.042 215 G CA 0.110 45.178 45.100 -0.054 0.000 0.791 215 G HN 0.410 nan 8.290 nan 0.000 0.502 216 D N -0.153 120.195 120.400 -0.087 0.000 2.505 216 D HA 0.456 5.096 4.640 -0.000 0.000 0.250 216 D C 1.124 177.260 176.300 -0.273 0.000 1.164 216 D CA -0.904 53.046 54.000 -0.082 0.000 0.870 216 D CB 0.390 41.192 40.800 0.003 0.000 1.160 216 D HN 0.472 nan 8.370 nan 0.000 0.549 217 R N 3.931 124.220 120.500 -0.351 0.000 2.690 217 R HA 0.180 4.520 4.340 -0.000 0.000 0.419 217 R C 1.305 177.186 176.300 -0.698 0.000 1.090 217 R CA -0.702 54.962 56.100 -0.728 0.000 1.064 217 R CB -0.352 29.669 30.300 -0.466 0.000 1.391 217 R HN 0.432 nan 8.270 nan 0.000 0.586 218 W N 1.176 122.170 121.300 -0.510 0.000 2.392 218 W HA -0.140 4.519 4.660 -0.001 0.000 0.279 218 W C 0.468 176.845 176.519 -0.236 0.000 1.225 218 W CA 0.446 57.624 57.345 -0.277 0.000 1.233 218 W CB -0.636 28.762 29.460 -0.103 0.000 1.122 218 W HN 0.153 nan 8.180 nan 0.000 0.561 219 F N 0.673 120.150 119.950 -0.789 0.000 2.780 219 F HA 0.376 4.903 4.527 0.000 0.000 0.299 219 F C 1.036 176.631 175.800 -0.342 0.000 1.146 219 F CA -0.871 56.652 58.000 -0.795 0.000 1.428 219 F CB -1.453 36.782 39.000 -1.274 0.000 1.115 219 F HN -0.334 nan 8.300 nan 0.000 0.583 220 L N 2.222 123.140 121.223 -0.509 0.000 2.476 220 L HA 0.174 4.514 4.340 -0.000 0.000 0.264 220 L C -0.123 176.704 176.870 -0.073 0.000 1.224 220 L CA -0.340 54.357 54.840 -0.238 0.000 0.821 220 L CB 0.395 42.260 42.059 -0.323 0.000 1.101 220 L HN 0.400 nan 8.230 nan 0.000 0.488 221 N N -0.569 118.125 118.700 -0.010 0.000 2.972 221 N HA 0.267 5.007 4.740 -0.000 0.000 0.262 221 N C -0.333 175.160 175.510 -0.030 0.000 1.478 221 N CA -1.119 51.959 53.050 0.046 0.000 0.841 221 N CB 0.783 39.414 38.487 0.240 0.000 1.512 221 N HN 0.472 nan 8.380 nan 0.000 0.548 222 R N -0.816 119.577 120.500 -0.178 0.000 2.310 222 R HA 0.315 4.654 4.340 -0.000 0.000 0.202 222 R C -0.589 175.490 176.300 -0.367 0.000 0.933 222 R CA -0.071 55.844 56.100 -0.309 0.000 1.054 222 R CB -0.538 29.512 30.300 -0.416 0.000 0.985 222 R HN 0.313 nan 8.270 nan 0.000 0.489 223 F N 0.282 120.227 119.950 -0.008 0.000 2.380 223 F HA 0.434 4.962 4.527 0.000 0.000 0.321 223 F C 0.908 176.707 175.800 -0.001 0.000 1.103 223 F CA -0.457 57.543 58.000 -0.001 0.000 1.067 223 F CB 1.581 40.585 39.000 0.006 0.000 1.265 223 F HN -0.201 nan 8.300 nan 0.000 0.517 224 T N -0.773 113.921 114.554 0.234 0.000 2.838 224 T HA 0.623 4.973 4.350 -0.000 0.000 0.292 224 T C -1.066 173.712 174.700 0.129 0.000 1.113 224 T CA -0.342 61.835 62.100 0.128 0.000 1.008 224 T CB 1.834 70.749 68.868 0.077 0.000 1.259 224 T HN 0.780 nan 8.240 nan 0.000 0.520 225 T N 0.002 114.611 114.554 0.092 0.000 2.792 225 T HA 0.578 4.928 4.350 -0.000 0.000 0.303 225 T C -0.914 173.835 174.700 0.083 0.000 1.310 225 T CA -0.347 61.810 62.100 0.095 0.000 1.007 225 T CB 1.693 70.636 68.868 0.125 0.000 1.335 225 T HN 0.733 nan 8.240 nan 0.000 0.504 226 T N 1.503 116.109 114.554 0.088 0.000 2.902 226 T HA 0.437 4.787 4.350 -0.000 0.000 0.280 226 T C 1.359 176.128 174.700 0.114 0.000 0.992 226 T CA -0.531 61.617 62.100 0.079 0.000 1.015 226 T CB 0.836 69.743 68.868 0.065 0.000 1.044 226 T HN 0.508 nan 8.240 nan 0.000 0.520 227 L N 3.456 124.738 121.223 0.098 0.000 2.012 227 L HA -0.048 4.292 4.340 -0.000 0.000 0.210 227 L C 2.324 179.299 176.870 0.175 0.000 1.073 227 L CA 1.880 56.801 54.840 0.135 0.000 0.748 227 L CB -1.109 41.004 42.059 0.089 0.000 0.891 227 L HN 0.661 nan 8.230 nan 0.000 0.431 228 N N -0.055 118.712 118.700 0.112 0.000 2.043 228 N HA -0.208 4.532 4.740 -0.000 0.000 0.193 228 N C 1.489 177.046 175.510 0.078 0.000 1.037 228 N CA 1.848 54.950 53.050 0.086 0.000 0.851 228 N CB -0.255 38.266 38.487 0.057 0.000 1.027 228 N HN 0.444 nan 8.380 nan 0.000 0.422 229 D N -0.181 120.267 120.400 0.080 0.000 2.178 229 D HA -0.124 4.515 4.640 -0.000 0.000 0.202 229 D C 1.728 178.057 176.300 0.048 0.000 0.974 229 D CA 0.369 54.401 54.000 0.052 0.000 0.841 229 D CB -0.403 40.427 40.800 0.051 0.000 0.953 229 D HN 0.260 nan 8.370 nan 0.000 0.478 230 F N 2.166 122.116 119.950 0.000 0.000 2.113 230 F HA -0.144 4.383 4.527 0.000 0.000 0.297 230 F C 1.875 177.674 175.800 -0.001 0.000 1.103 230 F CA 1.167 59.160 58.000 -0.012 0.000 1.248 230 F CB -0.255 38.745 39.000 -0.001 0.000 0.999 230 F HN -0.171 nan 8.300 nan 0.000 0.475 231 N N 0.977 119.654 118.700 -0.039 0.000 2.223 231 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 231 N C 2.037 177.465 175.510 -0.137 0.000 1.016 231 N CA 1.460 54.453 53.050 -0.095 0.000 0.863 231 N CB -0.531 38.011 38.487 0.091 0.000 0.983 231 N HN 0.385 nan 8.380 nan 0.000 0.429 232 L N 0.129 121.297 121.223 -0.091 0.000 2.191 232 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 232 L C 2.029 178.840 176.870 -0.098 0.000 1.103 232 L CA 0.677 55.478 54.840 -0.066 0.000 0.769 232 L CB -0.171 41.868 42.059 -0.033 0.000 0.908 232 L HN -0.009 nan 8.230 nan 0.000 0.438 233 V N -0.575 119.224 119.914 -0.191 0.000 2.374 233 V HA -0.043 4.077 4.120 -0.000 0.000 0.241 233 V C 2.659 178.634 176.094 -0.199 0.000 1.034 233 V CA 1.339 63.537 62.300 -0.171 0.000 1.037 233 V CB -0.499 31.182 31.823 -0.237 0.000 0.682 233 V HN 0.376 nan 8.190 nan 0.000 0.463 234 A N 0.020 122.511 122.820 -0.548 0.000 1.917 234 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 234 A C 2.208 179.749 177.584 -0.071 0.000 1.182 234 A CA 2.513 54.240 52.037 -0.516 0.000 0.633 234 A CB -0.621 17.870 19.000 -0.849 0.000 0.819 234 A HN 0.516 nan 8.150 nan 0.000 0.448 235 M N -0.800 118.770 119.600 -0.050 0.000 2.279 235 M HA -0.117 4.362 4.480 -0.000 0.000 0.264 235 M C 2.133 178.460 176.300 0.045 0.000 1.062 235 M CA 1.440 56.764 55.300 0.041 0.000 1.099 235 M CB -0.181 32.430 32.600 0.017 0.000 1.394 235 M HN 0.301 nan 8.290 nan 0.000 0.426 236 K N 0.385 120.804 120.400 0.032 0.000 2.211 236 K HA -0.126 4.194 4.320 -0.000 0.000 0.203 236 K C 0.479 176.992 176.600 -0.146 0.000 1.050 236 K CA 1.421 57.676 56.287 -0.054 0.000 0.945 236 K CB 0.021 32.479 32.500 -0.069 0.000 0.732 236 K HN 0.364 nan 8.250 nan 0.000 0.451 237 Y N 0.707 121.000 120.300 -0.012 0.000 2.571 237 Y HA 0.162 4.712 4.550 0.001 0.000 0.275 237 Y C 0.347 176.364 175.900 0.195 0.000 1.179 237 Y CA -0.226 57.912 58.100 0.063 0.000 1.242 237 Y CB -0.175 38.286 38.460 0.002 0.000 1.126 237 Y HN 0.170 nan 8.280 nan 0.000 0.524 238 N N -0.658 118.177 118.700 0.225 0.000 2.815 238 N HA -0.258 4.482 4.740 -0.000 0.000 0.249 238 N C -1.355 174.269 175.510 0.190 0.000 1.114 238 N CA 0.310 53.457 53.050 0.162 0.000 0.717 238 N CB -1.750 36.791 38.487 0.089 0.000 1.074 238 N HN 0.260 nan 8.380 nan 0.000 0.555 239 Y N 0.808 121.139 120.300 0.051 0.000 2.334 239 Y HA 0.373 4.922 4.550 -0.000 0.000 0.328 239 Y C 1.086 177.021 175.900 0.059 0.000 1.130 239 Y CA -0.637 57.496 58.100 0.054 0.000 1.163 239 Y CB 0.805 39.299 38.460 0.057 0.000 1.207 239 Y HN 0.021 nan 8.280 nan 0.000 0.471 240 E N 4.366 124.653 120.200 0.145 0.000 2.414 240 E HA 0.073 4.423 4.350 -0.000 0.000 0.263 240 E C -2.342 174.388 176.600 0.216 0.000 1.000 240 E CA -1.424 55.058 56.400 0.137 0.000 0.914 240 E CB 0.504 30.258 29.700 0.091 0.000 0.948 240 E HN 0.349 nan 8.360 nan 0.000 0.444 241 P HA -0.035 nan 4.420 nan 0.000 0.266 241 P C -0.510 176.961 177.300 0.286 0.000 1.195 241 P CA -0.081 63.140 63.100 0.203 0.000 0.768 241 P CB 0.388 32.169 31.700 0.135 0.000 0.838 242 L N 4.075 125.502 121.223 0.341 0.000 2.292 242 L HA 0.467 4.807 4.340 -0.000 0.000 0.284 242 L C 0.360 177.344 176.870 0.189 0.000 1.065 242 L CA 0.312 55.382 54.840 0.382 0.000 0.806 242 L CB 0.729 43.006 42.059 0.363 0.000 1.175 242 L HN 0.439 nan 8.230 nan 0.000 0.431 243 T N 0.610 115.159 114.554 -0.007 0.000 2.948 243 T HA 0.295 4.645 4.350 -0.000 0.000 0.285 243 T C 0.594 175.228 174.700 -0.110 0.000 1.019 243 T CA -0.470 61.525 62.100 -0.176 0.000 1.013 243 T CB 1.342 69.955 68.868 -0.426 0.000 1.117 243 T HN 0.544 nan 8.240 nan 0.000 0.533 244 Q N 0.196 119.955 119.800 -0.069 0.000 2.170 244 Q HA -0.102 4.238 4.340 -0.000 0.000 0.203 244 Q C 1.451 177.440 176.000 -0.019 0.000 0.976 244 Q CA 1.871 57.661 55.803 -0.022 0.000 0.858 244 Q CB -0.731 28.000 28.738 -0.011 0.000 0.907 244 Q HN 0.765 nan 8.270 nan 0.000 0.433 245 D N -0.957 119.399 120.400 -0.073 0.000 2.117 245 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 245 D C 1.587 177.943 176.300 0.092 0.000 0.987 245 D CA 1.450 55.441 54.000 -0.015 0.000 0.829 245 D CB -0.266 40.507 40.800 -0.045 0.000 0.961 245 D HN 0.588 nan 8.370 nan 0.000 0.460 246 H N -0.429 118.668 119.070 0.045 0.000 2.321 246 H HA -0.054 4.502 4.556 -0.000 0.000 0.300 246 H C 2.261 177.610 175.328 0.036 0.000 1.087 246 H CA 0.704 56.781 56.048 0.048 0.000 1.319 246 H CB 0.114 29.911 29.762 0.058 0.000 1.379 246 H HN -0.048 nan 8.280 nan 0.000 0.501 247 V N 1.425 121.427 119.914 0.146 0.000 2.287 247 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 247 V C 1.761 177.890 176.094 0.057 0.000 1.053 247 V CA 2.059 64.404 62.300 0.075 0.000 1.027 247 V CB -0.343 31.504 31.823 0.040 0.000 0.646 247 V HN 0.491 nan 8.190 nan 0.000 0.447 248 D N -0.115 120.318 120.400 0.054 0.000 2.144 248 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 248 D C 2.080 178.405 176.300 0.042 0.000 0.984 248 D CA 1.057 55.080 54.000 0.039 0.000 0.834 248 D CB -0.200 40.622 40.800 0.037 0.000 0.955 248 D HN 0.284 nan 8.370 nan 0.000 0.465 249 I N 0.707 121.319 120.570 0.071 0.000 2.286 249 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 249 I C 2.248 178.382 176.117 0.029 0.000 1.115 249 I CA 0.756 62.098 61.300 0.070 0.000 1.392 249 I CB -0.826 37.238 38.000 0.107 0.000 1.065 249 I HN 0.071 nan 8.210 nan 0.000 0.418 250 L N 0.285 121.518 121.223 0.017 0.000 2.622 250 L HA -0.003 4.337 4.340 -0.000 0.000 0.233 250 L C 2.476 179.263 176.870 -0.139 0.000 1.156 250 L CA 0.408 55.211 54.840 -0.061 0.000 0.866 250 L CB -0.861 41.202 42.059 0.007 0.000 0.980 250 L HN 0.239 nan 8.230 nan 0.000 0.448 251 G N 1.644 110.403 108.800 -0.068 0.000 2.553 251 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 251 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 251 G C -0.627 174.204 174.900 -0.114 0.000 1.195 251 G CA 0.874 45.930 45.100 -0.072 0.000 0.779 251 G HN 0.311 nan 8.290 nan 0.000 0.577 252 P HA -0.071 nan 4.420 nan 0.000 0.215 252 P C 2.114 179.306 177.300 -0.180 0.000 1.157 252 P CA 0.825 63.861 63.100 -0.108 0.000 0.874 252 P CB -0.179 31.475 31.700 -0.076 0.000 0.790 253 L N -1.247 119.808 121.223 -0.280 0.000 2.131 253 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 253 L C 2.600 179.120 176.870 -0.584 0.000 1.092 253 L CA 1.494 56.069 54.840 -0.442 0.000 0.759 253 L CB -0.987 40.699 42.059 -0.621 0.000 0.903 253 L HN 0.059 nan 8.230 nan 0.000 0.435 254 S N -0.432 114.927 115.700 -0.568 0.000 2.356 254 S HA -0.195 4.275 4.470 -0.000 0.000 0.223 254 S C 2.131 176.658 174.600 -0.122 0.000 1.032 254 S CA 1.329 59.340 58.200 -0.316 0.000 1.005 254 S CB -0.079 63.032 63.200 -0.148 0.000 0.867 254 S HN 0.461 nan 8.310 nan 0.000 0.449 255 A N 0.872 123.622 122.820 -0.117 0.000 1.898 255 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 255 A C 2.146 179.695 177.584 -0.058 0.000 1.181 255 A CA 1.788 53.786 52.037 -0.065 0.000 0.620 255 A CB -0.969 17.996 19.000 -0.058 0.000 0.819 255 A HN 0.734 nan 8.150 nan 0.000 0.442 256 Q N -0.136 119.615 119.800 -0.081 0.000 2.096 256 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 256 Q C 1.954 177.934 176.000 -0.033 0.000 0.982 256 Q CA 2.520 58.288 55.803 -0.059 0.000 0.850 256 Q CB -0.294 28.400 28.738 -0.073 0.000 0.901 256 Q HN 0.729 nan 8.270 nan 0.000 0.422 257 T N -4.517 110.026 114.554 -0.019 0.000 3.067 257 T HA 0.270 4.620 4.350 -0.000 0.000 0.257 257 T C 1.353 176.071 174.700 0.031 0.000 1.105 257 T CA 0.601 62.720 62.100 0.032 0.000 1.104 257 T CB 0.377 69.330 68.868 0.141 0.000 0.925 257 T HN 0.562 nan 8.240 nan 0.000 0.498 258 G N 1.475 110.288 108.800 0.022 0.000 2.159 258 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.256 258 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.256 258 G C -0.003 174.920 174.900 0.038 0.000 0.977 258 G CA 0.145 45.254 45.100 0.016 0.000 0.652 258 G HN 0.660 nan 8.290 nan 0.000 0.531 259 I N 1.491 122.120 120.570 0.099 0.000 2.336 259 I HA 0.589 4.759 4.170 -0.000 0.000 0.292 259 I C 0.942 177.156 176.117 0.162 0.000 0.991 259 I CA -0.572 60.798 61.300 0.118 0.000 1.227 259 I CB 1.703 39.779 38.000 0.128 0.000 1.366 259 I HN 0.252 nan 8.210 nan 0.000 0.466 260 A N 5.651 128.524 122.820 0.089 0.000 2.477 260 A HA 0.244 4.564 4.320 -0.000 0.000 0.246 260 A C 1.271 178.923 177.584 0.114 0.000 1.078 260 A CA -0.365 51.719 52.037 0.079 0.000 0.770 260 A CB 0.553 19.576 19.000 0.039 0.000 1.011 260 A HN 0.669 nan 8.150 nan 0.000 0.494 261 V N 3.191 123.175 119.914 0.117 0.000 2.252 261 V HA -0.304 3.815 4.120 -0.000 0.000 0.249 261 V C 2.433 178.538 176.094 0.019 0.000 1.056 261 V CA 2.500 64.873 62.300 0.123 0.000 1.022 261 V CB -1.026 30.839 31.823 0.071 0.000 0.641 261 V HN 0.846 nan 8.190 nan 0.000 0.445 262 L N -0.244 120.979 121.223 0.000 0.000 2.191 262 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 262 L C 2.263 179.124 176.870 -0.015 0.000 1.103 262 L CA 1.316 56.141 54.840 -0.027 0.000 0.769 262 L CB -0.689 41.373 42.059 0.005 0.000 0.908 262 L HN 0.380 nan 8.230 nan 0.000 0.438 263 D N -0.452 119.951 120.400 0.006 0.000 2.123 263 D HA -0.179 4.461 4.640 -0.000 0.000 0.200 263 D C 2.070 178.355 176.300 -0.024 0.000 0.976 263 D CA 1.045 55.051 54.000 0.010 0.000 0.831 263 D CB -0.025 40.782 40.800 0.012 0.000 0.974 263 D HN 0.148 nan 8.370 nan 0.000 0.469 264 M N 0.303 119.864 119.600 -0.065 0.000 2.213 264 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 264 M C 1.926 178.136 176.300 -0.151 0.000 1.062 264 M CA 1.130 56.334 55.300 -0.160 0.000 1.105 264 M CB -0.416 31.979 32.600 -0.343 0.000 1.385 264 M HN 0.012 nan 8.290 nan 0.000 0.417 265 C N -0.239 118.949 119.300 -0.186 0.000 2.425 265 C HA -0.061 4.399 4.460 -0.000 0.000 0.277 265 C C 2.865 177.844 174.990 -0.018 0.000 1.280 265 C CA 0.900 59.726 59.018 -0.321 0.000 1.744 265 C CB -1.790 25.596 27.740 -0.590 0.000 1.989 265 C HN 0.711 nan 8.230 nan 0.000 0.491 266 A N 0.574 123.408 122.820 0.024 0.000 1.902 266 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 266 A C 2.376 179.995 177.584 0.059 0.000 1.181 266 A CA 2.084 54.171 52.037 0.084 0.000 0.623 266 A CB -0.919 18.154 19.000 0.122 0.000 0.818 266 A HN 0.564 nan 8.150 nan 0.000 0.443 267 A N -0.260 122.581 122.820 0.034 0.000 1.865 267 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 267 A C 2.228 179.800 177.584 -0.019 0.000 1.191 267 A CA 1.580 53.636 52.037 0.031 0.000 0.623 267 A CB -0.742 18.293 19.000 0.058 0.000 0.826 267 A HN 0.539 nan 8.150 nan 0.000 0.444 268 L N -0.624 120.575 121.223 -0.040 0.000 2.042 268 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 268 L C 2.638 179.473 176.870 -0.058 0.000 1.076 268 L CA 2.404 57.215 54.840 -0.049 0.000 0.749 268 L CB -0.350 41.728 42.059 0.031 0.000 0.893 268 L HN 0.582 nan 8.230 nan 0.000 0.432 269 K N 0.076 120.495 120.400 0.031 0.000 2.063 269 K HA -0.292 4.028 4.320 -0.000 0.000 0.208 269 K C 1.997 178.501 176.600 -0.161 0.000 1.048 269 K CA 2.009 58.243 56.287 -0.088 0.000 0.928 269 K CB -0.119 32.387 32.500 0.010 0.000 0.713 269 K HN 0.368 nan 8.250 nan 0.000 0.442 270 E N 0.395 120.539 120.200 -0.092 0.000 2.072 270 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 270 E C 2.041 178.595 176.600 -0.077 0.000 0.985 270 E CA 1.062 57.416 56.400 -0.078 0.000 0.801 270 E CB -0.047 29.644 29.700 -0.014 0.000 0.750 270 E HN 0.336 nan 8.360 nan 0.000 0.452 271 L N 0.591 121.764 121.223 -0.083 0.000 2.046 271 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 271 L C 2.557 179.343 176.870 -0.139 0.000 1.077 271 L CA 0.891 55.690 54.840 -0.068 0.000 0.747 271 L CB -0.309 41.689 42.059 -0.100 0.000 0.896 271 L HN 0.279 nan 8.230 nan 0.000 0.432 272 L N -0.959 120.080 121.223 -0.308 0.000 2.093 272 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 272 L C 2.636 179.158 176.870 -0.580 0.000 1.085 272 L CA 1.310 55.788 54.840 -0.604 0.000 0.755 272 L CB -0.384 41.039 42.059 -1.060 0.000 0.904 272 L HN 0.367 nan 8.230 nan 0.000 0.435 273 Q N -0.571 119.011 119.800 -0.362 0.000 2.096 273 Q HA -0.079 4.261 4.340 -0.000 0.000 0.197 273 Q C 1.658 177.648 176.000 -0.018 0.000 0.964 273 Q CA 1.048 56.774 55.803 -0.128 0.000 0.838 273 Q CB 0.071 28.753 28.738 -0.094 0.000 0.906 273 Q HN 0.481 nan 8.270 nan 0.000 0.444 274 N N -0.551 118.137 118.700 -0.020 0.000 2.388 274 N HA 0.105 4.845 4.740 -0.000 0.000 0.176 274 N C 0.618 176.166 175.510 0.063 0.000 1.062 274 N CA 1.030 54.100 53.050 0.035 0.000 0.895 274 N CB 0.972 39.491 38.487 0.055 0.000 1.018 274 N HN 0.249 nan 8.380 nan 0.000 0.456 275 G N 1.020 109.854 108.800 0.057 0.000 2.760 275 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.246 275 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.246 275 G C 0.403 175.400 174.900 0.162 0.000 1.359 275 G CA -0.005 45.150 45.100 0.092 0.000 0.861 275 G HN 0.124 nan 8.290 nan 0.000 0.541 276 M N 0.194 119.908 119.600 0.189 0.000 2.509 276 M HA 0.181 4.661 4.480 -0.000 0.000 0.250 276 M C 1.086 177.459 176.300 0.122 0.000 1.132 276 M CA 0.634 56.115 55.300 0.300 0.000 1.080 276 M CB -0.236 32.560 32.600 0.327 0.000 1.408 276 M HN 0.680 nan 8.290 nan 0.000 0.484 277 N N 1.403 120.144 118.700 0.068 0.000 2.714 277 N HA -0.194 4.546 4.740 -0.000 0.000 0.253 277 N C 0.661 176.135 175.510 -0.059 0.000 1.024 277 N CA 0.015 53.065 53.050 0.000 0.000 0.726 277 N CB -0.847 37.634 38.487 -0.010 0.000 0.908 277 N HN 0.709 nan 8.380 nan 0.000 0.542 278 G N -0.820 107.962 108.800 -0.030 0.000 2.212 278 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.266 278 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.266 278 G C 0.386 175.231 174.900 -0.091 0.000 0.978 278 G CA 0.960 46.030 45.100 -0.049 0.000 0.632 278 G HN 0.542 nan 8.290 nan 0.000 0.537 279 R N 0.375 120.773 120.500 -0.170 0.000 2.541 279 R HA 0.659 4.999 4.340 -0.000 0.000 0.263 279 R C 0.706 177.007 176.300 0.002 0.000 1.112 279 R CA 0.438 56.369 56.100 -0.281 0.000 1.170 279 R CB 0.673 30.414 30.300 -0.931 0.000 1.167 279 R HN 0.436 nan 8.270 nan 0.000 0.582 280 T N -2.272 112.343 114.554 0.103 0.000 2.865 280 T HA 0.629 4.979 4.350 -0.000 0.000 0.294 280 T C -0.422 174.545 174.700 0.445 0.000 1.119 280 T CA -0.839 61.423 62.100 0.269 0.000 1.007 280 T CB 1.169 70.138 68.868 0.168 0.000 1.225 280 T HN 0.354 nan 8.240 nan 0.000 0.515 281 I N 1.959 122.732 120.570 0.339 0.000 2.447 281 I HA 0.373 4.543 4.170 -0.000 0.000 0.287 281 I C -0.000 176.103 176.117 -0.023 0.000 1.023 281 I CA -1.076 60.293 61.300 0.115 0.000 1.083 281 I CB 1.621 39.465 38.000 -0.261 0.000 1.245 281 I HN 0.784 nan 8.210 nan 0.000 0.434 282 L N 6.664 127.848 121.223 -0.066 0.000 3.634 282 L HA -0.290 4.050 4.340 -0.000 0.000 0.423 282 L C 1.252 178.209 176.870 0.145 0.000 1.253 282 L CA 0.773 55.596 54.840 -0.029 0.000 0.885 282 L CB -1.606 40.332 42.059 -0.202 0.000 1.789 282 L HN 1.159 nan 8.230 nan 0.000 0.904 283 G N -1.128 107.757 108.800 0.142 0.000 2.189 283 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.267 283 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.267 283 G C 0.302 175.315 174.900 0.188 0.000 0.975 283 G CA 0.709 45.898 45.100 0.148 0.000 0.644 283 G HN 0.741 nan 8.290 nan 0.000 0.537 284 S N -0.481 115.386 115.700 0.279 0.000 2.565 284 S HA 0.642 5.112 4.470 -0.000 0.000 0.290 284 S C 1.539 176.301 174.600 0.269 0.000 1.150 284 S CA 0.870 59.243 58.200 0.288 0.000 1.058 284 S CB 1.459 64.901 63.200 0.403 0.000 1.032 284 S HN 1.013 nan 8.310 nan 0.000 0.510 285 T N 1.580 116.244 114.554 0.184 0.000 3.060 285 T HA 0.280 4.630 4.350 -0.000 0.000 0.249 285 T C 0.726 175.518 174.700 0.153 0.000 1.079 285 T CA 0.015 62.212 62.100 0.162 0.000 1.013 285 T CB -0.755 68.175 68.868 0.104 0.000 0.975 285 T HN 0.679 nan 8.240 nan 0.000 0.518 286 I N -1.525 119.120 120.570 0.123 0.000 2.957 286 I HA 0.638 4.808 4.170 -0.000 0.000 0.310 286 I C -0.949 175.163 176.117 -0.009 0.000 1.063 286 I CA -2.046 59.291 61.300 0.062 0.000 1.033 286 I CB 1.878 39.880 38.000 0.003 0.000 1.230 286 I HN -0.170 nan 8.210 nan 0.000 0.447 287 L N 3.340 124.541 121.223 -0.036 0.000 2.360 287 L HA 0.326 4.666 4.340 -0.000 0.000 0.276 287 L C 0.173 176.753 176.870 -0.484 0.000 1.121 287 L CA -0.078 54.659 54.840 -0.171 0.000 0.845 287 L CB 0.188 42.284 42.059 0.063 0.000 1.143 287 L HN 0.588 nan 8.230 nan 0.000 0.452 288 E N 2.883 122.382 120.200 -1.168 0.000 2.249 288 E HA 0.099 4.449 4.350 -0.000 0.000 0.280 288 E C -0.536 175.739 176.600 -0.542 0.000 1.016 288 E CA -0.327 55.523 56.400 -0.917 0.000 0.830 288 E CB 1.629 30.565 29.700 -1.273 0.000 1.081 288 E HN 0.559 nan 8.360 nan 0.000 0.395 289 D N 1.772 121.983 120.400 -0.315 0.000 2.571 289 D HA 0.008 4.648 4.640 -0.000 0.000 0.239 289 D C 0.161 176.360 176.300 -0.167 0.000 1.267 289 D CA -0.100 53.787 54.000 -0.187 0.000 0.823 289 D CB 0.134 40.813 40.800 -0.202 0.000 1.056 289 D HN 0.333 nan 8.370 nan 0.000 0.494 290 E N 0.046 120.103 120.200 -0.238 0.000 2.437 290 E HA 0.176 4.526 4.350 -0.000 0.000 0.195 290 E C -0.741 175.543 176.600 -0.526 0.000 1.029 290 E CA -0.232 55.935 56.400 -0.388 0.000 0.948 290 E CB 0.268 29.657 29.700 -0.518 0.000 1.082 290 E HN 0.215 nan 8.360 nan 0.000 0.456 291 F N 0.878 120.829 119.950 0.003 0.000 2.499 291 F HA 0.147 4.674 4.527 0.000 0.000 0.333 291 F C 0.868 176.738 175.800 0.116 0.000 1.138 291 F CA -1.051 57.020 58.000 0.120 0.000 0.945 291 F CB 1.501 40.688 39.000 0.313 0.000 1.181 291 F HN -0.198 nan 8.300 nan 0.000 0.435 292 T N 0.147 114.857 114.554 0.259 0.000 2.788 292 T HA 0.255 4.605 4.350 -0.000 0.000 0.287 292 T C -2.044 172.807 174.700 0.251 0.000 1.007 292 T CA -1.671 60.553 62.100 0.207 0.000 1.005 292 T CB 1.393 70.369 68.868 0.180 0.000 1.012 292 T HN 0.231 nan 8.240 nan 0.000 0.530 293 P HA 0.003 nan 4.420 nan 0.000 0.216 293 P C 1.163 178.567 177.300 0.174 0.000 1.150 293 P CA 0.670 63.866 63.100 0.161 0.000 0.837 293 P CB -0.119 31.653 31.700 0.119 0.000 0.786 294 F N 0.705 120.709 119.950 0.090 0.000 2.134 294 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 294 F C 1.699 177.565 175.800 0.110 0.000 1.097 294 F CA 1.604 59.655 58.000 0.085 0.000 1.264 294 F CB -0.439 38.609 39.000 0.080 0.000 1.001 294 F HN -0.158 nan 8.300 nan 0.000 0.479 295 D N -0.073 120.539 120.400 0.353 0.000 2.097 295 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 295 D C 2.551 178.989 176.300 0.230 0.000 0.989 295 D CA 1.599 55.773 54.000 0.291 0.000 0.827 295 D CB -0.725 40.298 40.800 0.371 0.000 0.966 295 D HN 0.212 nan 8.370 nan 0.000 0.456 296 V N 0.812 120.892 119.914 0.277 0.000 2.295 296 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 296 V C 2.700 178.860 176.094 0.110 0.000 1.049 296 V CA 1.095 63.557 62.300 0.270 0.000 1.024 296 V CB -0.493 31.431 31.823 0.169 0.000 0.648 296 V HN 0.055 nan 8.190 nan 0.000 0.447 297 V N -0.204 119.704 119.914 -0.011 0.000 2.392 297 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 297 V C 2.564 178.576 176.094 -0.137 0.000 1.059 297 V CA 2.394 64.630 62.300 -0.106 0.000 1.051 297 V CB -0.786 30.913 31.823 -0.207 0.000 0.658 297 V HN 0.470 nan 8.190 nan 0.000 0.455 298 R N -0.530 119.859 120.500 -0.185 0.000 2.075 298 R HA -0.180 4.160 4.340 -0.000 0.000 0.232 298 R C 2.410 178.669 176.300 -0.068 0.000 1.126 298 R CA 1.850 57.858 56.100 -0.153 0.000 0.963 298 R CB -0.112 30.109 30.300 -0.132 0.000 0.858 298 R HN 0.618 nan 8.270 nan 0.000 0.435 299 Q N -0.595 119.184 119.800 -0.034 0.000 2.212 299 Q HA 0.003 4.343 4.340 -0.000 0.000 0.199 299 Q C -0.113 175.896 176.000 0.015 0.000 0.950 299 Q CA 0.485 56.256 55.803 -0.053 0.000 0.863 299 Q CB 0.377 29.003 28.738 -0.186 0.000 0.944 299 Q HN 0.309 nan 8.270 nan 0.000 0.465 300 C N 0.879 120.229 119.300 0.083 0.000 2.459 300 C HA 0.365 4.825 4.460 -0.000 0.000 0.374 300 C C 0.809 175.810 174.990 0.019 0.000 1.241 300 C CA -0.771 58.295 59.018 0.080 0.000 2.352 300 C CB 0.917 28.712 27.740 0.092 0.000 2.490 300 C HN 0.435 nan 8.230 nan 0.000 0.583 301 S N 0.936 116.645 115.700 0.014 0.000 2.572 301 S HA 0.398 4.868 4.470 -0.000 0.000 0.267 301 S C 0.585 175.178 174.600 -0.012 0.000 1.361 301 S CA 0.290 58.489 58.200 -0.001 0.000 1.009 301 S CB 0.277 63.477 63.200 -0.001 0.000 0.888 301 S HN 0.969 nan 8.310 nan 0.000 0.553 302 G N 0.000 108.791 108.800 -0.016 0.000 5.446 302 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 302 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 302 G CA 0.000 45.087 45.100 -0.022 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925