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 1s1v_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKXXXXTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGI DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPXKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAH 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.348 177.300 0.080 0.000 1.155 1 P CA 0.000 63.133 63.100 0.055 0.000 0.800 1 P CB 0.000 31.729 31.700 0.048 0.000 0.726 2 I N 0.080 120.702 120.570 0.086 0.000 6.460 2 I HA 0.351 4.539 4.170 0.030 0.000 0.171 2 I C 0.474 176.664 176.117 0.121 0.000 0.892 2 I CA -0.132 61.234 61.300 0.109 0.000 1.533 2 I CB -0.103 37.960 38.000 0.105 0.000 1.307 2 I HN 0.102 nan 8.210 nan 0.000 0.472 3 S N 0.492 116.268 115.700 0.126 0.000 2.548 3 S HA 0.276 4.764 4.470 0.030 0.000 0.278 3 S C -2.448 172.255 174.600 0.171 0.000 1.150 3 S CA -0.479 57.821 58.200 0.167 0.000 0.907 3 S CB 2.212 65.516 63.200 0.174 0.000 1.108 3 S HN 0.328 nan 8.310 nan 0.000 0.459 4 P HA 0.359 nan 4.420 nan 0.000 0.227 4 P C -0.709 176.783 177.300 0.319 0.000 1.801 4 P CA -0.057 63.163 63.100 0.201 0.000 0.971 4 P CB -0.512 31.250 31.700 0.104 0.000 1.653 5 I N -0.772 119.947 120.570 0.247 0.000 2.566 5 I HA 0.291 4.479 4.170 0.030 0.000 0.303 5 I C 0.937 177.114 176.117 0.100 0.000 0.983 5 I CA -1.135 60.265 61.300 0.166 0.000 1.235 5 I CB 1.226 39.257 38.000 0.052 0.000 1.386 5 I HN -0.166 nan 8.210 nan 0.000 0.494 6 E N 3.810 124.049 120.200 0.065 0.000 2.324 6 E HA 0.108 4.476 4.350 0.030 0.000 0.271 6 E C -0.247 176.371 176.600 0.031 0.000 1.028 6 E CA -0.095 56.335 56.400 0.050 0.000 0.890 6 E CB 1.095 30.817 29.700 0.038 0.000 1.004 6 E HN 0.662 nan 8.360 nan 0.000 0.431 7 T N -0.504 114.075 114.554 0.042 0.000 2.734 7 T HA 0.173 4.541 4.350 0.030 0.000 0.314 7 T C 0.559 175.278 174.700 0.033 0.000 1.057 7 T CA -0.763 61.361 62.100 0.039 0.000 1.047 7 T CB 0.753 69.652 68.868 0.053 0.000 0.991 7 T HN 0.108 nan 8.240 nan 0.000 0.540 8 V N 3.400 123.336 119.914 0.037 0.000 2.435 8 V HA 0.396 4.534 4.120 0.030 0.000 0.290 8 V C -1.902 174.230 176.094 0.064 0.000 1.030 8 V CA -2.082 60.244 62.300 0.043 0.000 0.881 8 V CB 1.524 33.373 31.823 0.043 0.000 0.983 8 V HN 0.866 nan 8.190 nan 0.000 0.445 9 P HA 0.142 nan 4.420 nan 0.000 0.268 9 P C -0.632 176.709 177.300 0.068 0.000 1.485 9 P CA 0.123 63.264 63.100 0.068 0.000 1.102 9 P CB 0.529 32.260 31.700 0.052 0.000 1.501 10 V N 5.117 125.070 119.914 0.065 0.000 2.439 10 V HA 0.297 4.435 4.120 0.030 0.000 0.282 10 V C 0.707 176.822 176.094 0.034 0.000 1.039 10 V CA -0.276 62.022 62.300 -0.004 0.000 0.913 10 V CB 1.403 33.144 31.823 -0.137 0.000 0.983 10 V HN 0.381 nan 8.190 nan 0.000 0.460 11 K N 4.102 124.512 120.400 0.016 0.000 2.281 11 K HA 0.691 5.029 4.320 0.030 0.000 0.242 11 K C -0.952 175.704 176.600 0.092 0.000 0.971 11 K CA -0.863 55.492 56.287 0.112 0.000 0.834 11 K CB 2.316 34.842 32.500 0.043 0.000 1.181 11 K HN 0.407 nan 8.250 nan 0.000 0.435 12 L N 1.747 123.028 121.223 0.097 0.000 2.456 12 L HA 0.237 4.595 4.340 0.030 0.000 0.257 12 L C 0.643 177.496 176.870 -0.028 0.000 1.162 12 L CA -0.362 54.488 54.840 0.016 0.000 0.808 12 L CB 0.504 42.451 42.059 -0.187 0.000 1.136 12 L HN 0.469 nan 8.230 nan 0.000 0.466 13 K N 1.287 121.666 120.400 -0.034 0.000 2.339 13 K HA -0.008 4.331 4.320 0.030 0.000 0.260 13 K C -2.205 174.379 176.600 -0.026 0.000 0.989 13 K CA -0.958 55.305 56.287 -0.040 0.000 0.888 13 K CB -0.177 32.306 32.500 -0.027 0.000 0.983 13 K HN 0.296 nan 8.250 nan 0.000 0.515 14 P HA -0.115 nan 4.420 nan 0.000 0.253 14 P C 0.452 177.753 177.300 0.001 0.000 1.170 14 P CA 1.354 64.448 63.100 -0.009 0.000 0.806 14 P CB 0.075 31.770 31.700 -0.009 0.000 0.775 15 G N 3.646 112.450 108.800 0.007 0.000 2.779 15 G HA2 -0.385 3.593 3.960 0.030 0.000 0.230 15 G HA3 -0.385 3.593 3.960 0.030 0.000 0.230 15 G C 0.506 175.419 174.900 0.021 0.000 1.243 15 G CA 0.238 45.349 45.100 0.019 0.000 0.769 15 G HN 0.480 nan 8.290 nan 0.000 0.516 16 M N 1.447 121.054 119.600 0.013 0.000 2.165 16 M HA 0.141 4.639 4.480 0.030 0.000 0.338 16 M C 0.520 176.826 176.300 0.010 0.000 1.023 16 M CA 1.163 56.473 55.300 0.017 0.000 0.920 16 M CB 0.019 32.624 32.600 0.008 0.000 1.634 16 M HN 0.529 nan 8.290 nan 0.000 0.461 17 D N 0.985 121.415 120.400 0.050 0.000 2.326 17 D HA 0.516 5.174 4.640 0.030 0.000 0.251 17 D C 0.046 176.382 176.300 0.061 0.000 1.023 17 D CA -0.115 53.949 54.000 0.106 0.000 0.966 17 D CB 1.165 42.096 40.800 0.218 0.000 1.156 17 D HN 0.601 nan 8.370 nan 0.000 0.494 18 G N 0.820 109.641 108.800 0.034 0.000 2.664 18 G HA2 0.270 4.248 3.960 0.030 0.000 0.242 18 G HA3 0.270 4.248 3.960 0.030 0.000 0.242 18 G C -2.171 172.924 174.900 0.325 0.000 1.225 18 G CA -0.865 44.180 45.100 -0.092 0.000 0.849 18 G HN 0.472 nan 8.290 nan 0.000 0.581 19 P HA 0.174 nan 4.420 nan 0.000 0.269 19 P C -0.566 176.926 177.300 0.319 0.000 1.209 19 P CA 0.055 63.318 63.100 0.273 0.000 0.776 19 P CB 1.108 32.953 31.700 0.242 0.000 0.876 20 K N 1.083 121.608 120.400 0.208 0.000 2.826 20 K HA 0.212 4.550 4.320 0.030 0.000 0.206 20 K C -0.104 176.558 176.600 0.102 0.000 1.116 20 K CA -0.472 55.897 56.287 0.136 0.000 1.045 20 K CB 1.075 33.630 32.500 0.092 0.000 0.758 20 K HN 0.203 nan 8.250 nan 0.000 0.465 21 V N 1.983 121.970 119.914 0.122 0.000 2.637 21 V HA 0.089 4.227 4.120 0.030 0.000 0.296 21 V C -0.230 175.917 176.094 0.090 0.000 1.046 21 V CA -0.188 62.177 62.300 0.109 0.000 1.066 21 V CB 0.460 32.363 31.823 0.133 0.000 0.968 21 V HN 0.242 nan 8.190 nan 0.000 0.483 22 K N 4.909 125.353 120.400 0.074 0.000 2.379 22 K HA 0.179 4.517 4.320 0.030 0.000 0.284 22 K C -0.112 176.538 176.600 0.082 0.000 1.044 22 K CA -0.188 56.130 56.287 0.052 0.000 0.974 22 K CB 0.580 33.088 32.500 0.013 0.000 0.962 22 K HN 0.702 nan 8.250 nan 0.000 0.474 23 Q N 3.986 123.826 119.800 0.067 0.000 2.257 23 Q HA -0.084 4.274 4.340 0.030 0.000 0.273 23 Q C -0.823 175.269 176.000 0.154 0.000 1.153 23 Q CA 0.080 55.936 55.803 0.088 0.000 0.922 23 Q CB 0.203 28.972 28.738 0.050 0.000 1.242 23 Q HN 0.449 nan 8.270 nan 0.000 0.409 24 W N 7.365 128.684 121.300 0.032 0.000 2.484 24 W HA -0.000 4.678 4.660 0.030 0.000 0.337 24 W C -2.130 174.441 176.519 0.086 0.000 1.214 24 W CA -1.059 56.366 57.345 0.133 0.000 1.296 24 W CB 0.424 30.131 29.460 0.412 0.000 1.174 24 W HN 0.571 nan 8.180 nan 0.000 0.564 25 P HA 0.231 nan 4.420 nan 0.000 0.276 25 P C -0.996 176.436 177.300 0.219 0.000 1.230 25 P CA 0.237 63.430 63.100 0.155 0.000 0.776 25 P CB 1.215 32.947 31.700 0.054 0.000 0.888 26 L N 1.773 123.074 121.223 0.130 0.000 2.333 26 L HA 0.513 4.871 4.340 0.030 0.000 0.263 26 L C 1.176 178.068 176.870 0.035 0.000 1.014 26 L CA -0.848 54.045 54.840 0.088 0.000 0.820 26 L CB 1.990 44.075 42.059 0.043 0.000 1.352 26 L HN 0.350 nan 8.230 nan 0.000 0.421 27 T N -3.321 111.241 114.554 0.013 0.000 2.828 27 T HA 0.114 4.482 4.350 0.030 0.000 0.290 27 T C 0.987 175.678 174.700 -0.015 0.000 1.019 27 T CA -0.089 62.017 62.100 0.010 0.000 1.031 27 T CB 0.935 69.819 68.868 0.026 0.000 1.001 27 T HN 0.848 nan 8.240 nan 0.000 0.531 28 E N 0.467 120.670 120.200 0.004 0.000 2.118 28 E HA -0.268 4.100 4.350 0.030 0.000 0.195 28 E C 1.883 178.481 176.600 -0.004 0.000 0.992 28 E CA 1.413 57.814 56.400 0.002 0.000 0.804 28 E CB -0.285 29.425 29.700 0.017 0.000 0.741 28 E HN 0.882 nan 8.360 nan 0.000 0.458 29 E N 1.403 121.613 120.200 0.018 0.000 2.058 29 E HA -0.212 4.156 4.350 0.030 0.000 0.194 29 E C 1.992 178.544 176.600 -0.081 0.000 0.997 29 E CA 1.386 57.821 56.400 0.058 0.000 0.801 29 E CB 0.114 29.909 29.700 0.158 0.000 0.746 29 E HN 0.247 nan 8.360 nan 0.000 0.450 30 K N 0.011 120.268 120.400 -0.239 0.000 2.062 30 K HA -0.058 4.280 4.320 0.030 0.000 0.205 30 K C 2.268 178.666 176.600 -0.336 0.000 1.051 30 K CA 1.093 57.039 56.287 -0.569 0.000 0.941 30 K CB -0.066 32.108 32.500 -0.542 0.000 0.719 30 K HN 0.208 nan 8.250 nan 0.000 0.440 31 I N 1.655 122.129 120.570 -0.161 0.000 2.179 31 I HA -0.298 3.890 4.170 0.030 0.000 0.242 31 I C 2.162 178.245 176.117 -0.057 0.000 1.088 31 I CA 1.420 62.671 61.300 -0.081 0.000 1.357 31 I CB -0.259 37.720 38.000 -0.034 0.000 1.051 31 I HN 0.090 nan 8.210 nan 0.000 0.409 32 K N 0.889 121.263 120.400 -0.043 0.000 2.152 32 K HA -0.173 4.165 4.320 0.030 0.000 0.206 32 K C 2.224 178.823 176.600 -0.002 0.000 1.048 32 K CA 1.538 57.821 56.287 -0.006 0.000 0.933 32 K CB -0.260 32.250 32.500 0.017 0.000 0.721 32 K HN 0.371 nan 8.250 nan 0.000 0.447 33 A N 1.302 124.092 122.820 -0.049 0.000 1.897 33 A HA -0.067 4.271 4.320 0.030 0.000 0.215 33 A C 2.104 179.677 177.584 -0.018 0.000 1.181 33 A CA 0.927 52.957 52.037 -0.011 0.000 0.620 33 A CB -0.482 18.456 19.000 -0.104 0.000 0.821 33 A HN 0.132 nan 8.150 nan 0.000 0.443 34 L N -0.267 120.913 121.223 -0.072 0.000 2.131 34 L HA -0.154 4.204 4.340 0.030 0.000 0.210 34 L C 2.466 179.351 176.870 0.025 0.000 1.092 34 L CA 0.841 55.667 54.840 -0.023 0.000 0.759 34 L CB -0.470 41.574 42.059 -0.026 0.000 0.903 34 L HN 0.243 nan 8.230 nan 0.000 0.435 35 V N -0.262 119.673 119.914 0.035 0.000 2.343 35 V HA -0.291 3.847 4.120 0.030 0.000 0.247 35 V C 2.439 178.561 176.094 0.048 0.000 1.051 35 V CA 1.895 64.236 62.300 0.069 0.000 1.036 35 V CB -0.437 31.419 31.823 0.055 0.000 0.654 35 V HN 0.433 nan 8.190 nan 0.000 0.451 36 E N 0.857 121.076 120.200 0.033 0.000 2.007 36 E HA -0.245 4.123 4.350 0.030 0.000 0.203 36 E C 1.958 178.561 176.600 0.005 0.000 1.020 36 E CA 2.297 58.714 56.400 0.027 0.000 0.845 36 E CB -0.494 29.232 29.700 0.043 0.000 0.779 36 E HN 0.531 nan 8.360 nan 0.000 0.466 37 I N 0.166 120.735 120.570 -0.002 0.000 2.113 37 I HA -0.423 3.766 4.170 0.030 0.000 0.242 37 I C 2.561 178.625 176.117 -0.088 0.000 1.064 37 I CA 1.483 62.762 61.300 -0.035 0.000 1.320 37 I CB -0.568 37.416 38.000 -0.026 0.000 1.028 37 I HN 0.322 nan 8.210 nan 0.000 0.406 38 C N 0.073 119.304 119.300 -0.116 0.000 2.419 38 C HA -0.129 4.349 4.460 0.030 0.000 0.281 38 C C 2.964 177.808 174.990 -0.244 0.000 1.336 38 C CA 1.257 60.095 59.018 -0.301 0.000 1.770 38 C CB -1.338 26.147 27.740 -0.426 0.000 1.929 38 C HN 0.535 nan 8.230 nan 0.000 0.509 39 T N 0.451 114.967 114.554 -0.064 0.000 2.896 39 T HA -0.119 4.249 4.350 0.030 0.000 0.263 39 T C 1.762 176.447 174.700 -0.025 0.000 1.050 39 T CA 1.684 63.786 62.100 0.004 0.000 1.140 39 T CB -0.174 68.717 68.868 0.039 0.000 0.877 39 T HN 0.653 nan 8.240 nan 0.000 0.457 40 E N 1.686 121.860 120.200 -0.043 0.000 2.015 40 E HA -0.058 4.310 4.350 0.030 0.000 0.191 40 E C 2.097 178.659 176.600 -0.062 0.000 0.991 40 E CA 1.471 57.845 56.400 -0.043 0.000 0.802 40 E CB -0.381 29.291 29.700 -0.047 0.000 0.759 40 E HN 0.435 nan 8.360 nan 0.000 0.447 41 M N 0.344 119.882 119.600 -0.103 0.000 2.159 41 M HA -0.135 4.363 4.480 0.030 0.000 0.263 41 M C 2.436 178.685 176.300 -0.086 0.000 1.063 41 M CA 1.909 57.144 55.300 -0.108 0.000 1.110 41 M CB -0.501 32.006 32.600 -0.156 0.000 1.374 41 M HN 0.270 nan 8.290 nan 0.000 0.411 42 E N 1.354 121.487 120.200 -0.113 0.000 2.097 42 E HA -0.235 4.133 4.350 0.030 0.000 0.196 42 E C 1.811 178.413 176.600 0.004 0.000 1.000 42 E CA 1.520 57.894 56.400 -0.043 0.000 0.804 42 E CB 0.088 29.803 29.700 0.025 0.000 0.740 42 E HN 0.484 nan 8.360 nan 0.000 0.454 43 K N 0.381 120.780 120.400 -0.002 0.000 1.985 43 K HA -0.154 4.185 4.320 0.030 0.000 0.210 43 K C 2.147 178.753 176.600 0.011 0.000 1.047 43 K CA 1.717 58.009 56.287 0.008 0.000 0.932 43 K CB -0.166 32.335 32.500 0.003 0.000 0.716 43 K HN 0.193 nan 8.250 nan 0.000 0.439 44 E N -0.525 119.677 120.200 0.003 0.000 2.333 44 E HA -0.173 4.195 4.350 0.030 0.000 0.200 44 E C 1.038 177.660 176.600 0.037 0.000 1.010 44 E CA 0.721 57.130 56.400 0.015 0.000 0.841 44 E CB -0.105 29.597 29.700 0.003 0.000 0.757 44 E HN 0.620 nan 8.360 nan 0.000 0.508 45 G N 0.755 109.577 108.800 0.036 0.000 2.176 45 G HA2 -0.332 3.646 3.960 0.030 0.000 0.232 45 G HA3 -0.332 3.646 3.960 0.030 0.000 0.232 45 G C 0.850 175.793 174.900 0.072 0.000 0.986 45 G CA 0.496 45.627 45.100 0.052 0.000 0.643 45 G HN 0.237 nan 8.290 nan 0.000 0.522 46 K N -0.051 120.396 120.400 0.079 0.000 2.026 46 K HA 0.134 4.472 4.320 0.030 0.000 0.208 46 K C 1.686 178.326 176.600 0.067 0.000 1.048 46 K CA 1.627 57.995 56.287 0.135 0.000 0.929 46 K CB -0.076 32.539 32.500 0.192 0.000 0.713 46 K HN 0.797 nan 8.250 nan 0.000 0.439 47 I N -3.472 117.081 120.570 -0.029 0.000 3.264 47 I HA 0.411 4.600 4.170 0.030 0.000 0.309 47 I C -0.841 175.307 176.117 0.052 0.000 1.099 47 I CA -1.037 60.222 61.300 -0.068 0.000 0.989 47 I CB 2.357 40.205 38.000 -0.253 0.000 1.250 47 I HN -0.313 nan 8.210 nan 0.000 0.478 48 S N 0.866 116.652 115.700 0.144 0.000 2.619 48 S HA 0.364 4.852 4.470 0.030 0.000 0.280 48 S C -0.889 173.832 174.600 0.201 0.000 1.150 48 S CA -0.830 57.473 58.200 0.172 0.000 0.978 48 S CB 1.641 64.890 63.200 0.082 0.000 1.041 48 S HN 0.463 nan 8.310 nan 0.000 0.485 49 K N 3.091 123.562 120.400 0.118 0.000 2.412 49 K HA 0.294 4.632 4.320 0.030 0.000 0.284 49 K C 0.051 176.558 176.600 -0.155 0.000 1.046 49 K CA 0.254 56.395 56.287 -0.244 0.000 0.999 49 K CB -0.006 32.355 32.500 -0.231 0.000 0.941 49 K HN 0.610 nan 8.250 nan 0.000 0.474 50 I N -1.129 119.320 120.570 -0.202 0.000 2.846 50 I HA 0.577 4.765 4.170 0.030 0.000 0.307 50 I C 0.388 176.419 176.117 -0.143 0.000 1.053 50 I CA -1.172 60.051 61.300 -0.128 0.000 1.050 50 I CB 1.811 39.757 38.000 -0.091 0.000 1.239 50 I HN 0.481 nan 8.210 nan 0.000 0.439 51 G N 2.473 111.211 108.800 -0.103 0.000 2.588 51 G HA2 0.552 4.530 3.960 0.030 0.000 0.281 51 G HA3 0.552 4.530 3.960 0.030 0.000 0.281 51 G C -2.468 172.374 174.900 -0.096 0.000 1.236 51 G CA -1.048 43.993 45.100 -0.097 0.000 0.969 51 G HN 0.537 nan 8.290 nan 0.000 0.504 52 P HA 0.129 nan 4.420 nan 0.000 0.281 52 P C -0.122 177.127 177.300 -0.084 0.000 1.274 52 P CA -0.072 62.976 63.100 -0.087 0.000 0.794 52 P CB 0.270 31.924 31.700 -0.076 0.000 1.201 53 E N -0.811 119.335 120.200 -0.091 0.000 2.271 53 E HA -0.191 4.177 4.350 0.030 0.000 0.223 53 E C -0.574 175.955 176.600 -0.118 0.000 1.223 53 E CA 0.530 56.870 56.400 -0.100 0.000 0.704 53 E CB -2.268 27.386 29.700 -0.076 0.000 1.194 53 E HN 0.419 nan 8.360 nan 0.000 0.375 54 N N 0.398 119.012 118.700 -0.143 0.000 2.733 54 N HA 0.141 4.899 4.740 0.030 0.000 0.271 54 N C -1.792 173.562 175.510 -0.259 0.000 1.720 54 N CA -1.249 51.714 53.050 -0.146 0.000 0.803 54 N CB 0.880 39.333 38.487 -0.057 0.000 1.208 54 N HN -0.088 nan 8.380 nan 0.000 0.498 55 P HA -0.179 nan 4.420 nan 0.000 0.220 55 P C -0.165 176.886 177.300 -0.414 0.000 1.142 55 P CA 1.130 63.943 63.100 -0.479 0.000 0.801 55 P CB -0.076 31.259 31.700 -0.609 0.000 0.764 56 Y N 0.507 120.818 120.300 0.018 0.000 2.309 56 Y HA 0.467 5.035 4.550 0.030 0.000 0.327 56 Y C 1.134 177.070 175.900 0.060 0.000 1.172 56 Y CA -0.538 57.598 58.100 0.061 0.000 1.280 56 Y CB 0.080 38.585 38.460 0.075 0.000 1.234 56 Y HN -0.059 nan 8.280 nan 0.000 0.512 57 N N -0.719 118.126 118.700 0.243 0.000 2.859 57 N HA 0.568 5.326 4.740 0.030 0.000 0.250 57 N C -1.871 173.749 175.510 0.183 0.000 1.341 57 N CA -0.516 52.643 53.050 0.183 0.000 0.881 57 N CB 1.757 40.303 38.487 0.098 0.000 1.516 57 N HN 0.566 nan 8.380 nan 0.000 0.503 58 T N 1.664 116.317 114.554 0.165 0.000 2.912 58 T HA 0.520 4.888 4.350 0.030 0.000 0.299 58 T C -2.944 171.733 174.700 -0.039 0.000 1.052 58 T CA -0.887 61.240 62.100 0.044 0.000 0.996 58 T CB 2.280 71.094 68.868 -0.089 0.000 1.070 58 T HN 0.361 nan 8.240 nan 0.000 0.465 59 P HA 0.204 nan 4.420 nan 0.000 0.275 59 P C -0.256 176.562 177.300 -0.802 0.000 1.276 59 P CA -0.172 62.705 63.100 -0.372 0.000 0.782 59 P CB 0.703 32.254 31.700 -0.249 0.000 0.851 60 V N 6.044 125.608 119.914 -0.583 0.000 2.686 60 V HA 0.474 4.613 4.120 0.030 0.000 0.295 60 V C -0.683 174.970 176.094 -0.735 0.000 1.057 60 V CA -0.078 61.894 62.300 -0.548 0.000 1.012 60 V CB 0.101 31.831 31.823 -0.156 0.000 1.006 60 V HN 0.269 nan 8.190 nan 0.000 0.477 61 F N 3.308 123.189 119.950 -0.115 0.000 2.620 61 F HA 0.850 5.395 4.527 0.030 0.000 0.320 61 F C 0.258 175.977 175.800 -0.134 0.000 1.069 61 F CA -0.581 57.333 58.000 -0.144 0.000 0.953 61 F CB 1.966 40.848 39.000 -0.195 0.000 1.322 61 F HN 0.626 nan 8.300 nan 0.000 0.479 62 A N 1.870 124.711 122.820 0.035 0.000 2.343 62 A HA 0.882 5.220 4.320 0.030 0.000 0.308 62 A C -1.277 176.346 177.584 0.065 0.000 1.092 62 A CA -0.458 51.506 52.037 -0.121 0.000 0.751 62 A CB 0.572 19.221 19.000 -0.584 0.000 1.203 62 A HN 0.648 nan 8.150 nan 0.000 0.452 63 I N -0.980 119.846 120.570 0.426 0.000 3.174 63 I HA 0.739 4.927 4.170 0.030 0.000 0.313 63 I C -0.446 175.958 176.117 0.479 0.000 1.155 63 I CA -0.967 60.678 61.300 0.575 0.000 0.977 63 I CB 1.466 39.593 38.000 0.213 0.000 1.248 63 I HN 0.504 nan 8.210 nan 0.000 0.453 70 K N 1.823 122.122 120.400 -0.168 0.000 2.551 70 K HA 0.432 4.770 4.320 0.030 0.000 0.269 70 K C -1.323 175.217 176.600 -0.100 0.000 0.949 70 K CA -1.039 55.161 56.287 -0.146 0.000 0.849 70 K CB 1.765 34.238 32.500 -0.044 0.000 1.411 70 K HN 0.514 nan 8.250 nan 0.000 0.432 71 W N 3.336 124.634 121.300 -0.004 0.000 2.347 71 W HA 0.121 4.799 4.660 0.030 0.000 0.333 71 W C 0.478 176.993 176.519 -0.007 0.000 1.383 71 W CA -0.374 56.970 57.345 -0.001 0.000 1.283 71 W CB 0.558 30.023 29.460 0.008 0.000 1.253 71 W HN 0.219 nan 8.180 nan 0.000 0.563 72 R N 3.394 124.116 120.500 0.370 0.000 2.562 72 R HA 0.288 4.646 4.340 0.030 0.000 0.298 72 R C -0.077 176.319 176.300 0.159 0.000 0.961 72 R CA -1.223 54.988 56.100 0.185 0.000 0.881 72 R CB 2.058 32.425 30.300 0.112 0.000 1.159 72 R HN 0.375 nan 8.270 nan 0.000 0.450 73 K N 1.784 122.233 120.400 0.082 0.000 2.149 73 K HA 0.254 4.592 4.320 0.030 0.000 0.245 73 K C -0.873 175.758 176.600 0.051 0.000 1.024 73 K CA -0.218 56.094 56.287 0.041 0.000 0.899 73 K CB 0.460 32.962 32.500 0.004 0.000 1.038 73 K HN 0.337 nan 8.250 nan 0.000 0.496 74 L N 2.791 124.024 121.223 0.018 0.000 2.722 74 L HA 0.211 4.569 4.340 0.030 0.000 0.244 74 L C -1.761 175.078 176.870 -0.052 0.000 1.023 74 L CA -0.319 54.541 54.840 0.032 0.000 0.988 74 L CB 0.948 43.063 42.059 0.094 0.000 1.245 74 L HN 0.352 nan 8.230 nan 0.000 0.508 75 V N 1.880 121.685 119.914 -0.182 0.000 2.686 75 V HA 0.331 4.469 4.120 0.030 0.000 0.295 75 V C 0.074 175.918 176.094 -0.418 0.000 1.055 75 V CA -0.204 61.825 62.300 -0.452 0.000 1.050 75 V CB 1.473 32.862 31.823 -0.723 0.000 0.984 75 V HN 0.649 nan 8.190 nan 0.000 0.482 76 D N 2.731 122.879 120.400 -0.420 0.000 2.473 76 D HA 0.325 4.983 4.640 0.030 0.000 0.226 76 D C 0.233 176.412 176.300 -0.201 0.000 1.089 76 D CA -0.340 53.561 54.000 -0.166 0.000 0.883 76 D CB 0.542 41.392 40.800 0.084 0.000 1.029 76 D HN 0.395 nan 8.370 nan 0.000 0.517 77 F N 1.884 121.892 119.950 0.096 0.000 2.797 77 F HA 0.179 4.724 4.527 0.030 0.000 0.302 77 F C 2.238 178.130 175.800 0.153 0.000 1.130 77 F CA -0.300 57.786 58.000 0.142 0.000 1.387 77 F CB 0.128 39.249 39.000 0.203 0.000 1.107 77 F HN 0.192 nan 8.300 nan 0.000 0.577 78 R N 0.624 121.277 120.500 0.254 0.000 2.234 78 R HA -0.259 4.099 4.340 0.030 0.000 0.262 78 R C 1.862 178.278 176.300 0.193 0.000 1.150 78 R CA 2.062 58.276 56.100 0.191 0.000 0.981 78 R CB -0.417 29.968 30.300 0.142 0.000 0.899 78 R HN 0.329 nan 8.270 nan 0.000 0.458 79 E N 0.328 120.651 120.200 0.205 0.000 2.051 79 E HA -0.127 4.241 4.350 0.030 0.000 0.189 79 E C 2.041 178.775 176.600 0.224 0.000 0.979 79 E CA 0.544 57.057 56.400 0.188 0.000 0.803 79 E CB -0.439 29.365 29.700 0.173 0.000 0.761 79 E HN 0.156 nan 8.360 nan 0.000 0.451 80 L N 2.357 123.768 121.223 0.313 0.000 2.043 80 L HA -0.220 4.138 4.340 0.030 0.000 0.212 80 L C 1.562 178.651 176.870 0.364 0.000 1.075 80 L CA 1.789 56.845 54.840 0.360 0.000 0.752 80 L CB -0.765 41.615 42.059 0.535 0.000 0.891 80 L HN 0.000 nan 8.230 nan 0.000 0.432 81 N N 0.388 119.297 118.700 0.349 0.000 2.120 81 N HA -0.189 4.569 4.740 0.030 0.000 0.188 81 N C 1.549 177.141 175.510 0.136 0.000 1.024 81 N CA 1.795 54.978 53.050 0.222 0.000 0.852 81 N CB -0.390 38.196 38.487 0.165 0.000 1.003 81 N HN 0.594 nan 8.380 nan 0.000 0.424 82 K N 0.416 120.893 120.400 0.129 0.000 2.504 82 K HA 0.074 4.412 4.320 0.030 0.000 0.195 82 K C 1.084 177.729 176.600 0.074 0.000 1.036 82 K CA 0.728 57.065 56.287 0.084 0.000 0.984 82 K CB 0.168 32.717 32.500 0.081 0.000 0.788 82 K HN 0.147 nan 8.250 nan 0.000 0.488 83 R N 0.839 121.400 120.500 0.101 0.000 2.335 83 R HA 0.108 4.466 4.340 0.030 0.000 0.210 83 R C -0.055 176.288 176.300 0.071 0.000 0.892 83 R CA 0.053 56.193 56.100 0.066 0.000 1.048 83 R CB 0.701 31.033 30.300 0.054 0.000 1.067 83 R HN 0.050 nan 8.270 nan 0.000 0.524 84 T N 2.856 117.494 114.554 0.140 0.000 2.832 84 T HA 0.045 4.413 4.350 0.030 0.000 0.296 84 T C 0.302 174.982 174.700 -0.034 0.000 0.968 84 T CA -0.425 61.779 62.100 0.172 0.000 1.107 84 T CB 1.311 70.372 68.868 0.322 0.000 0.916 84 T HN 0.231 nan 8.240 nan 0.000 0.517 85 Q N 2.410 122.119 119.800 -0.152 0.000 2.730 85 Q HA 0.006 4.364 4.340 0.030 0.000 0.255 85 Q C -1.003 174.656 176.000 -0.568 0.000 1.155 85 Q CA 0.140 55.742 55.803 -0.336 0.000 1.035 85 Q CB 0.202 28.692 28.738 -0.413 0.000 1.335 85 Q HN 0.509 nan 8.270 nan 0.000 0.556 86 D N -0.005 120.100 120.400 -0.492 0.000 2.229 86 D HA 0.467 5.125 4.640 0.030 0.000 0.249 86 D C -1.076 174.864 176.300 -0.600 0.000 1.027 86 D CA -0.213 53.544 54.000 -0.406 0.000 0.923 86 D CB 0.695 41.408 40.800 -0.145 0.000 1.174 86 D HN 0.351 nan 8.370 nan 0.000 0.443 87 F N -0.421 119.496 119.950 -0.054 0.000 2.631 87 F HA 0.402 4.947 4.527 0.030 0.000 0.350 87 F C 0.052 175.930 175.800 0.130 0.000 1.080 87 F CA -1.227 56.773 58.000 -0.000 0.000 1.026 87 F CB 0.612 39.557 39.000 -0.091 0.000 1.347 87 F HN 0.236 nan 8.300 nan 0.000 0.501 88 W N 2.455 123.827 121.300 0.120 0.000 2.170 88 W HA 0.199 4.877 4.660 0.030 0.000 0.336 88 W C -0.130 176.406 176.519 0.030 0.000 1.283 88 W CA -0.745 56.623 57.345 0.040 0.000 1.224 88 W CB 0.793 30.263 29.460 0.017 0.000 1.132 88 W HN 0.658 nan 8.180 nan 0.000 0.571 89 E N 2.512 122.186 120.200 -0.875 0.000 2.606 89 E HA 0.103 4.471 4.350 0.030 0.000 0.248 89 E C 0.055 176.403 176.600 -0.420 0.000 1.005 89 E CA -0.332 55.681 56.400 -0.645 0.000 0.946 89 E CB 0.383 29.596 29.700 -0.812 0.000 0.928 89 E HN 0.296 nan 8.360 nan 0.000 0.494 90 V N 2.126 121.907 119.914 -0.222 0.000 2.763 90 V HA -0.075 4.063 4.120 0.030 0.000 0.306 90 V C 0.607 176.623 176.094 -0.129 0.000 1.059 90 V CA -0.493 61.722 62.300 -0.142 0.000 1.138 90 V CB 1.088 32.836 31.823 -0.126 0.000 0.940 90 V HN 0.972 nan 8.190 nan 0.000 0.489 91 Q N 3.059 122.821 119.800 -0.064 0.000 3.448 91 Q HA -0.101 4.257 4.340 0.030 0.000 0.375 91 Q C -0.036 175.953 176.000 -0.018 0.000 1.050 91 Q CA 0.324 56.119 55.803 -0.012 0.000 1.262 91 Q CB 0.113 28.898 28.738 0.078 0.000 0.969 91 Q HN 0.876 nan 8.270 nan 0.000 0.434 92 L N 4.085 125.276 121.223 -0.053 0.000 2.959 92 L HA 0.358 4.716 4.340 0.030 0.000 0.259 92 L C 0.238 177.094 176.870 -0.022 0.000 1.185 92 L CA 0.659 55.473 54.840 -0.045 0.000 0.998 92 L CB 0.664 42.667 42.059 -0.094 0.000 1.337 92 L HN 0.649 nan 8.230 nan 0.000 0.555 93 G N 1.430 110.229 108.800 -0.001 0.000 2.955 93 G HA2 0.388 4.366 3.960 0.030 0.000 0.336 93 G HA3 0.388 4.366 3.960 0.030 0.000 0.336 93 G C -0.068 174.857 174.900 0.042 0.000 1.264 93 G CA -0.266 44.833 45.100 -0.002 0.000 1.096 93 G HN -0.051 nan 8.290 nan 0.000 0.486 94 I N 2.497 123.097 120.570 0.050 0.000 2.529 94 I HA 0.196 4.384 4.170 0.030 0.000 0.284 94 I C -1.248 174.917 176.117 0.080 0.000 1.082 94 I CA -1.994 59.371 61.300 0.108 0.000 1.406 94 I CB 0.675 38.666 38.000 -0.015 0.000 1.405 94 I HN 0.254 nan 8.210 nan 0.000 0.548 95 P HA 0.054 nan 4.420 nan 0.000 0.278 95 P C -0.869 176.516 177.300 0.141 0.000 1.268 95 P CA 0.247 63.389 63.100 0.070 0.000 0.813 95 P CB 0.323 31.993 31.700 -0.051 0.000 1.180 96 H N -1.963 117.040 119.070 -0.112 0.000 2.947 96 H HA 0.278 4.852 4.556 0.030 0.000 0.354 96 H C -2.193 172.920 175.328 -0.358 0.000 1.085 96 H CA -1.708 54.209 56.048 -0.219 0.000 1.253 96 H CB 1.344 30.904 29.762 -0.336 0.000 1.757 96 H HN 0.113 nan 8.280 nan 0.000 0.523 97 P HA -0.314 nan 4.420 nan 0.000 0.222 97 P C 1.044 178.002 177.300 -0.570 0.000 1.157 97 P CA 2.876 65.376 63.100 -1.001 0.000 0.905 97 P CB 0.022 30.474 31.700 -2.080 0.000 0.792 98 A N -1.043 121.443 122.820 -0.557 0.000 2.131 98 A HA -0.047 4.291 4.320 0.030 0.000 0.220 98 A C 2.124 179.920 177.584 0.354 0.000 1.158 98 A CA 1.827 53.992 52.037 0.213 0.000 0.665 98 A CB -1.445 17.880 19.000 0.542 0.000 0.795 98 A HN 0.350 nan 8.150 nan 0.000 0.460 99 G N -1.409 107.367 108.800 -0.039 0.000 3.337 99 G HA2 0.429 4.407 3.960 0.030 0.000 0.246 99 G HA3 0.429 4.407 3.960 0.030 0.000 0.246 99 G C -0.007 174.930 174.900 0.062 0.000 1.131 99 G CA -0.183 44.809 45.100 -0.182 0.000 0.773 99 G HN 0.267 nan 8.290 nan 0.000 0.544 100 I N 1.223 121.883 120.570 0.151 0.000 2.353 100 I HA 0.242 4.430 4.170 0.030 0.000 0.293 100 I C 0.050 176.309 176.117 0.238 0.000 0.992 100 I CA -0.774 60.597 61.300 0.119 0.000 1.268 100 I CB 1.716 39.730 38.000 0.023 0.000 1.387 100 I HN -0.093 nan 8.210 nan 0.000 0.478 101 K N 6.761 127.246 120.400 0.142 0.000 2.349 101 K HA 0.160 4.498 4.320 0.030 0.000 0.289 101 K C 0.021 176.603 176.600 -0.030 0.000 1.064 101 K CA -0.620 55.724 56.287 0.095 0.000 0.947 101 K CB 0.334 32.863 32.500 0.048 0.000 1.007 101 K HN 0.518 nan 8.250 nan 0.000 0.478 102 K N 2.986 123.360 120.400 -0.042 0.000 2.485 102 K HA 0.034 4.372 4.320 0.030 0.000 0.277 102 K C -0.341 176.183 176.600 -0.127 0.000 0.990 102 K CA 0.156 56.321 56.287 -0.204 0.000 0.994 102 K CB 0.585 33.035 32.500 -0.083 0.000 0.906 102 K HN 0.191 nan 8.250 nan 0.000 0.488 103 K N 2.972 123.280 120.400 -0.153 0.000 2.375 103 K HA 0.149 4.487 4.320 0.030 0.000 0.249 103 K C 0.213 176.765 176.600 -0.081 0.000 0.942 103 K CA -0.950 55.286 56.287 -0.085 0.000 0.806 103 K CB 1.813 34.276 32.500 -0.061 0.000 1.227 103 K HN 0.461 nan 8.250 nan 0.000 0.430 104 K N 0.752 121.115 120.400 -0.062 0.000 2.034 104 K HA -0.052 4.286 4.320 0.030 0.000 0.214 104 K C 0.311 176.848 176.600 -0.104 0.000 1.051 104 K CA 1.602 57.851 56.287 -0.063 0.000 0.931 104 K CB 0.021 32.491 32.500 -0.051 0.000 0.715 104 K HN 0.502 nan 8.250 nan 0.000 0.446 105 S N -1.245 114.341 115.700 -0.190 0.000 2.548 105 S HA 0.626 5.114 4.470 0.030 0.000 0.286 105 S C -1.368 173.063 174.600 -0.282 0.000 1.098 105 S CA -1.016 56.987 58.200 -0.328 0.000 0.930 105 S CB 2.669 65.445 63.200 -0.706 0.000 1.070 105 S HN -0.119 nan 8.310 nan 0.000 0.480 106 V N 1.761 121.623 119.914 -0.087 0.000 2.841 106 V HA 0.692 4.830 4.120 0.030 0.000 0.310 106 V C -0.651 175.586 176.094 0.238 0.000 1.090 106 V CA -0.547 61.821 62.300 0.114 0.000 0.930 106 V CB 2.398 34.314 31.823 0.155 0.000 1.014 106 V HN 0.950 nan 8.190 nan 0.000 0.425 107 T N 2.907 117.603 114.554 0.237 0.000 2.886 107 T HA 0.634 5.002 4.350 0.030 0.000 0.292 107 T C -0.680 173.992 174.700 -0.048 0.000 1.012 107 T CA -0.479 61.726 62.100 0.174 0.000 0.982 107 T CB 1.907 70.902 68.868 0.211 0.000 1.018 107 T HN 0.377 nan 8.240 nan 0.000 0.451 108 V N 3.555 123.379 119.914 -0.150 0.000 2.472 108 V HA 0.582 4.720 4.120 0.030 0.000 0.290 108 V C -0.719 175.243 176.094 -0.219 0.000 1.037 108 V CA -0.846 61.220 62.300 -0.390 0.000 0.908 108 V CB 1.524 33.024 31.823 -0.539 0.000 0.985 108 V HN 0.605 nan 8.190 nan 0.000 0.454 109 L N 3.334 124.404 121.223 -0.255 0.000 2.356 109 L HA 0.525 4.883 4.340 0.030 0.000 0.277 109 L C -0.418 176.376 176.870 -0.127 0.000 0.996 109 L CA -0.174 54.582 54.840 -0.140 0.000 0.822 109 L CB 1.641 43.631 42.059 -0.116 0.000 1.256 109 L HN 0.666 nan 8.230 nan 0.000 0.413 110 D N 2.673 123.032 120.400 -0.068 0.000 2.365 110 D HA 0.239 4.897 4.640 0.030 0.000 0.237 110 D C 0.148 176.436 176.300 -0.020 0.000 1.190 110 D CA -0.080 53.892 54.000 -0.045 0.000 0.867 110 D CB 0.988 41.776 40.800 -0.021 0.000 1.050 110 D HN 0.257 nan 8.370 nan 0.000 0.491 111 V N 2.801 122.713 119.914 -0.004 0.000 2.852 111 V HA 0.507 4.645 4.120 0.030 0.000 0.359 111 V C 1.518 177.605 176.094 -0.012 0.000 1.244 111 V CA -0.159 62.163 62.300 0.036 0.000 1.371 111 V CB 0.160 32.069 31.823 0.143 0.000 1.491 111 V HN 0.428 nan 8.190 nan 0.000 0.603 112 G N 2.971 111.751 108.800 -0.034 0.000 2.996 112 G HA2 -0.308 3.670 3.960 0.030 0.000 0.201 112 G HA3 -0.308 3.670 3.960 0.030 0.000 0.201 112 G C 0.659 175.539 174.900 -0.034 0.000 1.415 112 G CA 1.219 46.283 45.100 -0.059 0.000 0.789 112 G HN 0.881 nan 8.290 nan 0.000 0.722 113 D N 0.987 121.388 120.400 0.001 0.000 2.813 113 D HA 0.390 5.048 4.640 0.030 0.000 0.248 113 D C 1.357 177.741 176.300 0.140 0.000 1.254 113 D CA 0.695 54.758 54.000 0.105 0.000 0.921 113 D CB -0.090 40.735 40.800 0.043 0.000 1.118 113 D HN 0.314 nan 8.370 nan 0.000 0.450 114 A N -0.488 122.355 122.820 0.038 0.000 2.072 114 A HA -0.043 4.295 4.320 0.030 0.000 0.216 114 A C 1.452 179.023 177.584 -0.022 0.000 1.156 114 A CA 0.211 52.259 52.037 0.018 0.000 0.701 114 A CB -0.646 18.347 19.000 -0.012 0.000 0.816 114 A HN 0.328 nan 8.150 nan 0.000 0.458 115 Y N -0.676 119.451 120.300 -0.288 0.000 2.081 115 Y HA -0.234 4.334 4.550 0.030 0.000 0.280 115 Y C 1.893 177.717 175.900 -0.127 0.000 1.163 115 Y CA 2.192 60.128 58.100 -0.273 0.000 1.135 115 Y CB -0.741 37.539 38.460 -0.300 0.000 0.970 115 Y HN 0.388 nan 8.280 nan 0.000 0.498 116 F N -1.397 118.636 119.950 0.138 0.000 2.699 116 F HA -0.106 4.439 4.527 0.030 0.000 0.298 116 F C 2.208 178.067 175.800 0.099 0.000 1.154 116 F CA 0.887 58.964 58.000 0.127 0.000 1.457 116 F CB -0.289 38.778 39.000 0.112 0.000 1.106 116 F HN -0.136 nan 8.300 nan 0.000 0.585 117 S N -0.767 115.068 115.700 0.226 0.000 2.562 117 S HA 0.090 4.578 4.470 0.030 0.000 0.221 117 S C 0.580 175.267 174.600 0.144 0.000 0.975 117 S CA 0.117 58.421 58.200 0.172 0.000 0.918 117 S CB 0.050 63.344 63.200 0.156 0.000 0.772 117 S HN -0.104 nan 8.310 nan 0.000 0.531 118 V N 3.382 123.366 119.914 0.118 0.000 2.435 118 V HA 0.365 4.503 4.120 0.030 0.000 0.290 118 V C -2.568 173.567 176.094 0.068 0.000 1.030 118 V CA -2.449 59.903 62.300 0.087 0.000 0.881 118 V CB 1.395 33.260 31.823 0.070 0.000 0.983 118 V HN 0.013 nan 8.190 nan 0.000 0.445 119 P HA 0.156 nan 4.420 nan 0.000 0.269 119 P C -0.630 176.696 177.300 0.044 0.000 1.209 119 P CA -0.098 63.042 63.100 0.066 0.000 0.776 119 P CB 0.654 32.397 31.700 0.071 0.000 0.876 120 L N 2.253 123.502 121.223 0.043 0.000 2.325 120 L HA 0.341 4.699 4.340 0.030 0.000 0.278 120 L C 0.153 177.056 176.870 0.056 0.000 1.023 120 L CA -0.908 53.943 54.840 0.018 0.000 0.811 120 L CB 1.394 43.447 42.059 -0.009 0.000 1.249 120 L HN 0.299 nan 8.230 nan 0.000 0.431 121 D N 3.124 123.564 120.400 0.067 0.000 2.433 121 D HA -0.114 4.544 4.640 0.030 0.000 0.274 121 D C 1.439 177.819 176.300 0.132 0.000 1.344 121 D CA 0.231 54.294 54.000 0.105 0.000 0.989 121 D CB 0.790 41.668 40.800 0.130 0.000 1.116 121 D HN 0.506 nan 8.370 nan 0.000 0.533 122 E N 2.804 123.061 120.200 0.094 0.000 2.208 122 E HA -0.316 4.052 4.350 0.030 0.000 0.202 122 E C 0.954 177.602 176.600 0.079 0.000 1.014 122 E CA 1.201 57.648 56.400 0.078 0.000 0.819 122 E CB -0.204 29.532 29.700 0.060 0.000 0.735 122 E HN 0.598 nan 8.360 nan 0.000 0.469 123 D N -0.631 119.835 120.400 0.109 0.000 2.269 123 D HA -0.058 4.600 4.640 0.030 0.000 0.208 123 D C 1.210 177.606 176.300 0.160 0.000 0.963 123 D CA 0.447 54.515 54.000 0.112 0.000 0.864 123 D CB -0.112 40.766 40.800 0.131 0.000 0.936 123 D HN 0.229 nan 8.370 nan 0.000 0.505 124 F N 1.086 121.071 119.950 0.060 0.000 2.656 124 F HA 0.165 4.711 4.527 0.030 0.000 0.291 124 F C 2.137 177.957 175.800 0.033 0.000 1.122 124 F CA -0.040 58.047 58.000 0.146 0.000 1.427 124 F CB 0.170 39.244 39.000 0.123 0.000 1.125 124 F HN -0.268 nan 8.300 nan 0.000 0.583 125 R N 1.336 121.867 120.500 0.050 0.000 2.134 125 R HA -0.278 4.080 4.340 0.030 0.000 0.248 125 R C 2.143 178.346 176.300 -0.162 0.000 1.143 125 R CA 2.369 58.455 56.100 -0.023 0.000 0.957 125 R CB -0.826 29.492 30.300 0.030 0.000 0.867 125 R HN 0.395 nan 8.270 nan 0.000 0.441 126 K N -0.051 120.171 120.400 -0.298 0.000 2.189 126 K HA -0.240 4.098 4.320 0.030 0.000 0.207 126 K C 1.576 177.934 176.600 -0.404 0.000 1.046 126 K CA 2.138 58.213 56.287 -0.353 0.000 0.928 126 K CB -0.611 31.613 32.500 -0.460 0.000 0.720 126 K HN 0.267 nan 8.250 nan 0.000 0.458 127 Y N 2.303 122.359 120.300 -0.407 0.000 2.373 127 Y HA -0.077 4.491 4.550 0.030 0.000 0.293 127 Y C 2.463 178.298 175.900 -0.108 0.000 1.129 127 Y CA 1.275 59.095 58.100 -0.466 0.000 1.226 127 Y CB -0.747 37.168 38.460 -0.910 0.000 1.000 127 Y HN 0.317 nan 8.280 nan 0.000 0.549 128 T N -1.633 112.958 114.554 0.062 0.000 3.284 128 T HA 0.332 4.700 4.350 0.030 0.000 0.252 128 T C 0.860 175.867 174.700 0.512 0.000 1.144 128 T CA 0.114 62.412 62.100 0.330 0.000 1.021 128 T CB -0.848 68.171 68.868 0.251 0.000 0.984 128 T HN 0.240 nan 8.240 nan 0.000 0.545 129 A N 1.633 124.653 122.820 0.333 0.000 2.498 129 A HA 0.574 4.912 4.320 0.030 0.000 0.239 129 A C -0.027 177.786 177.584 0.381 0.000 1.068 129 A CA -0.548 51.658 52.037 0.282 0.000 0.766 129 A CB -0.331 18.753 19.000 0.140 0.000 1.003 129 A HN 0.811 nan 8.150 nan 0.000 0.497 130 F N -1.336 118.681 119.950 0.112 0.000 2.745 130 F HA 0.795 5.340 4.527 0.030 0.000 0.316 130 F C -0.552 175.275 175.800 0.046 0.000 1.155 130 F CA -0.776 57.255 58.000 0.053 0.000 0.937 130 F CB 1.393 40.408 39.000 0.025 0.000 1.361 130 F HN 0.379 nan 8.300 nan 0.000 0.472 131 T N 2.177 116.767 114.554 0.061 0.000 2.921 131 T HA 0.515 4.883 4.350 0.030 0.000 0.297 131 T C -0.807 173.926 174.700 0.055 0.000 1.013 131 T CA -0.437 61.629 62.100 -0.057 0.000 0.990 131 T CB 1.508 70.341 68.868 -0.059 0.000 1.023 131 T HN 0.590 nan 8.240 nan 0.000 0.447 132 I N 5.474 126.067 120.570 0.038 0.000 2.337 132 I HA 0.253 4.441 4.170 0.030 0.000 0.291 132 I C -1.999 174.126 176.117 0.014 0.000 1.046 132 I CA -2.241 59.103 61.300 0.074 0.000 1.324 132 I CB 1.224 39.300 38.000 0.127 0.000 1.409 132 I HN 0.327 nan 8.210 nan 0.000 0.494 133 P HA 0.017 nan 4.420 nan 0.000 0.272 133 P C -0.320 176.978 177.300 -0.004 0.000 1.248 133 P CA -0.121 62.982 63.100 0.005 0.000 0.799 133 P CB 0.590 32.303 31.700 0.021 0.000 0.997 134 S N -0.659 115.037 115.700 -0.007 0.000 2.767 134 S HA 0.295 4.783 4.470 0.030 0.000 0.300 134 S C 1.325 175.924 174.600 -0.002 0.000 1.123 134 S CA -0.522 57.672 58.200 -0.009 0.000 0.992 134 S CB -0.082 63.109 63.200 -0.014 0.000 1.138 134 S HN 0.191 nan 8.310 nan 0.000 0.550 135 I N 2.095 122.664 120.570 -0.002 0.000 2.264 135 I HA -0.048 4.140 4.170 0.030 0.000 0.248 135 I C 1.114 177.235 176.117 0.006 0.000 1.111 135 I CA 1.491 62.793 61.300 0.003 0.000 1.382 135 I CB -0.730 37.273 38.000 0.004 0.000 1.060 135 I HN 0.530 nan 8.210 nan 0.000 0.418 136 N N -0.719 117.982 118.700 0.002 0.000 3.283 136 N HA 0.149 4.907 4.740 0.030 0.000 0.338 136 N C -0.038 175.471 175.510 -0.001 0.000 1.517 136 N CA -0.519 52.533 53.050 0.003 0.000 0.733 136 N CB 0.534 39.021 38.487 0.000 0.000 1.797 136 N HN 0.023 nan 8.380 nan 0.000 0.637 137 N N 1.162 119.859 118.700 -0.005 0.000 2.542 137 N HA -0.015 4.743 4.740 0.030 0.000 0.234 137 N C -0.085 175.417 175.510 -0.012 0.000 1.257 137 N CA 0.343 53.387 53.050 -0.009 0.000 0.883 137 N CB -0.065 38.414 38.487 -0.014 0.000 1.197 137 N HN 0.495 nan 8.380 nan 0.000 0.488 138 E N 0.593 120.786 120.200 -0.011 0.000 4.390 138 E HA -0.095 4.273 4.350 0.030 0.000 0.579 138 E C 0.532 177.121 176.600 -0.018 0.000 0.443 138 E CA 1.188 57.581 56.400 -0.013 0.000 3.898 138 E CB -0.147 29.547 29.700 -0.011 0.000 2.141 138 E HN 0.562 nan 8.360 nan 0.000 0.302 139 T N -0.183 114.359 114.554 -0.020 0.000 2.754 139 T HA 0.255 4.623 4.350 0.030 0.000 0.286 139 T C -2.433 172.248 174.700 -0.033 0.000 0.997 139 T CA -1.623 60.461 62.100 -0.027 0.000 0.982 139 T CB 0.513 69.364 68.868 -0.028 0.000 1.027 139 T HN -0.039 nan 8.240 nan 0.000 0.529 140 P HA 0.274 nan 4.420 nan 0.000 0.267 140 P C 0.689 177.952 177.300 -0.062 0.000 1.209 140 P CA 0.048 63.116 63.100 -0.053 0.000 0.763 140 P CB 0.090 31.753 31.700 -0.062 0.000 0.816 141 G N 3.422 112.185 108.800 -0.062 0.000 2.529 141 G HA2 0.238 4.216 3.960 0.030 0.000 0.277 141 G HA3 0.238 4.216 3.960 0.030 0.000 0.277 141 G C -0.255 174.577 174.900 -0.114 0.000 1.383 141 G CA -0.469 44.592 45.100 -0.066 0.000 1.050 141 G HN 0.384 nan 8.290 nan 0.000 0.526 142 I N -0.071 120.421 120.570 -0.129 0.000 2.396 142 I HA 0.388 4.577 4.170 0.030 0.000 0.292 142 I C 0.599 176.488 176.117 -0.379 0.000 0.999 142 I CA -0.318 60.829 61.300 -0.255 0.000 1.310 142 I CB 1.189 39.066 38.000 -0.205 0.000 1.404 142 I HN 0.351 nan 8.210 nan 0.000 0.496 143 R N 5.144 125.317 120.500 -0.546 0.000 2.445 143 R HA 0.636 4.995 4.340 0.030 0.000 0.308 143 R C -1.415 174.419 176.300 -0.777 0.000 0.961 143 R CA -0.519 55.250 56.100 -0.552 0.000 0.862 143 R CB 1.836 31.933 30.300 -0.340 0.000 1.144 143 R HN 0.478 nan 8.270 nan 0.000 0.447 144 Y N 0.152 120.050 120.300 -0.670 0.000 2.715 144 Y HA 0.327 4.895 4.550 0.030 0.000 0.331 144 Y C -0.474 175.159 175.900 -0.446 0.000 1.197 144 Y CA -0.913 56.842 58.100 -0.575 0.000 1.079 144 Y CB 2.175 40.276 38.460 -0.598 0.000 1.298 144 Y HN 0.469 nan 8.280 nan 0.000 0.477 145 Q N -0.738 119.145 119.800 0.138 0.000 2.527 145 Q HA 0.457 4.815 4.340 0.030 0.000 0.280 145 Q C -2.317 173.841 176.000 0.263 0.000 0.977 145 Q CA -1.073 54.905 55.803 0.291 0.000 0.837 145 Q CB 1.671 30.499 28.738 0.151 0.000 1.454 145 Q HN 0.619 nan 8.270 nan 0.000 0.387 146 Y N 1.415 121.862 120.300 0.244 0.000 2.346 146 Y HA 0.229 4.797 4.550 0.030 0.000 0.330 146 Y C 0.938 176.881 175.900 0.072 0.000 1.178 146 Y CA 0.130 58.316 58.100 0.145 0.000 1.331 146 Y CB 0.888 39.383 38.460 0.058 0.000 1.253 146 Y HN 0.704 nan 8.280 nan 0.000 0.529 147 N N 1.328 120.156 118.700 0.214 0.000 2.205 147 N HA 0.098 4.856 4.740 0.030 0.000 0.201 147 N C -0.636 174.953 175.510 0.132 0.000 1.128 147 N CA 0.387 53.521 53.050 0.139 0.000 0.867 147 N CB 0.920 39.472 38.487 0.110 0.000 0.996 147 N HN 0.394 nan 8.380 nan 0.000 0.503 148 V N -2.804 117.212 119.914 0.171 0.000 3.182 148 V HA 0.508 4.646 4.120 0.030 0.000 0.308 148 V C -0.462 175.615 176.094 -0.029 0.000 1.240 148 V CA -1.246 61.111 62.300 0.096 0.000 1.063 148 V CB 1.362 33.273 31.823 0.146 0.000 1.076 148 V HN -0.266 nan 8.190 nan 0.000 0.446 149 L N 2.937 124.101 121.223 -0.098 0.000 2.615 149 L HA 0.364 4.722 4.340 0.030 0.000 0.271 149 L C -2.244 174.374 176.870 -0.419 0.000 1.183 149 L CA -0.405 54.327 54.840 -0.180 0.000 0.933 149 L CB -0.689 41.311 42.059 -0.099 0.000 1.199 149 L HN 0.565 nan 8.230 nan 0.000 0.487 150 P HA 0.126 nan 4.420 nan 0.000 0.279 150 P C -0.716 176.277 177.300 -0.511 0.000 1.239 150 P CA -0.680 61.798 63.100 -1.037 0.000 0.789 150 P CB 0.572 31.389 31.700 -1.471 0.000 0.933 151 Q N 1.597 121.129 119.800 -0.446 0.000 2.300 151 Q HA 0.250 4.608 4.340 0.030 0.000 0.280 151 Q C 1.451 177.455 176.000 0.006 0.000 1.033 151 Q CA 1.446 57.145 55.803 -0.172 0.000 0.903 151 Q CB 0.041 28.772 28.738 -0.011 0.000 1.195 151 Q HN 0.905 nan 8.270 nan 0.000 0.386 152 G N 2.494 111.307 108.800 0.021 0.000 2.157 152 G HA2 -0.256 3.722 3.960 0.030 0.000 0.248 152 G HA3 -0.256 3.722 3.960 0.030 0.000 0.248 152 G C -0.495 174.513 174.900 0.181 0.000 0.979 152 G CA 0.135 45.310 45.100 0.125 0.000 0.650 152 G HN 0.591 nan 8.290 nan 0.000 0.529 153 W N 1.519 122.700 121.300 -0.198 0.000 2.417 153 W HA 0.644 5.322 4.660 0.031 0.000 0.317 153 W C 1.278 177.686 176.519 -0.186 0.000 1.121 153 W CA -0.793 56.356 57.345 -0.326 0.000 1.208 153 W CB 0.954 30.044 29.460 -0.616 0.000 1.253 153 W HN 0.071 nan 8.180 nan 0.000 0.533 154 K N 2.470 122.351 120.400 -0.864 0.000 2.127 154 K HA -0.228 4.110 4.320 0.030 0.000 0.212 154 K C 1.611 177.549 176.600 -1.104 0.000 1.050 154 K CA 2.326 58.130 56.287 -0.805 0.000 0.929 154 K CB -0.614 31.551 32.500 -0.557 0.000 0.715 154 K HN 0.755 nan 8.250 nan 0.000 0.457 155 G N -1.140 106.388 108.800 -2.121 0.000 2.986 155 G HA2 -0.018 3.961 3.960 0.030 0.000 0.213 155 G HA3 -0.018 3.961 3.960 0.030 0.000 0.213 155 G C 1.142 175.436 174.900 -1.010 0.000 1.156 155 G CA 0.207 44.078 45.100 -2.050 0.000 0.763 155 G HN 0.246 nan 8.290 nan 0.000 0.547 156 S N 2.075 117.484 115.700 -0.485 0.000 2.369 156 S HA -0.126 4.362 4.470 0.030 0.000 0.225 156 S C 0.085 174.484 174.600 -0.335 0.000 1.043 156 S CA 1.749 59.842 58.200 -0.178 0.000 1.074 156 S CB -0.923 62.317 63.200 0.066 0.000 0.962 156 S HN 0.301 nan 8.310 nan 0.000 0.433 157 P HA -0.114 nan 4.420 nan 0.000 0.214 157 P C 1.543 178.721 177.300 -0.204 0.000 1.163 157 P CA 1.701 64.691 63.100 -0.184 0.000 0.889 157 P CB -0.184 31.462 31.700 -0.091 0.000 0.790 158 A N -0.625 122.008 122.820 -0.311 0.000 1.858 158 A HA -0.196 4.142 4.320 0.030 0.000 0.216 158 A C 2.269 179.699 177.584 -0.256 0.000 1.190 158 A CA 1.780 53.646 52.037 -0.285 0.000 0.617 158 A CB -1.681 17.083 19.000 -0.393 0.000 0.827 158 A HN 0.093 nan 8.150 nan 0.000 0.443 159 I N -1.707 118.675 120.570 -0.314 0.000 2.179 159 I HA -0.243 3.945 4.170 0.030 0.000 0.242 159 I C 2.450 178.455 176.117 -0.186 0.000 1.088 159 I CA 1.885 63.060 61.300 -0.209 0.000 1.357 159 I CB -0.572 37.331 38.000 -0.161 0.000 1.051 159 I HN 0.498 nan 8.210 nan 0.000 0.409 160 F N 1.935 121.678 119.950 -0.345 0.000 2.065 160 F HA -0.382 4.163 4.527 0.030 0.000 0.298 160 F C 2.731 178.372 175.800 -0.264 0.000 1.112 160 F CA 2.205 59.987 58.000 -0.363 0.000 1.212 160 F CB -0.261 38.364 39.000 -0.626 0.000 0.975 160 F HN 0.001 nan 8.300 nan 0.000 0.476 161 Q N 0.843 120.338 119.800 -0.508 0.000 1.985 161 Q HA -0.263 4.095 4.340 0.030 0.000 0.207 161 Q C 2.541 178.295 176.000 -0.409 0.000 0.996 161 Q CA 2.736 58.243 55.803 -0.493 0.000 0.851 161 Q CB -1.069 27.538 28.738 -0.219 0.000 0.921 161 Q HN 0.531 nan 8.270 nan 0.000 0.418 162 S N -0.852 114.689 115.700 -0.264 0.000 2.389 162 S HA -0.287 4.201 4.470 0.030 0.000 0.229 162 S C 2.041 176.492 174.600 -0.248 0.000 1.048 162 S CA 2.475 60.558 58.200 -0.195 0.000 1.117 162 S CB -0.919 62.201 63.200 -0.133 0.000 1.020 162 S HN 0.577 nan 8.310 nan 0.000 0.430 163 S N 1.773 117.303 115.700 -0.282 0.000 2.369 163 S HA -0.256 4.232 4.470 0.030 0.000 0.225 163 S C 1.885 176.259 174.600 -0.376 0.000 1.043 163 S CA 1.995 60.017 58.200 -0.297 0.000 1.074 163 S CB -0.806 62.239 63.200 -0.258 0.000 0.962 163 S HN 0.640 nan 8.310 nan 0.000 0.433 164 M N 2.155 121.441 119.600 -0.523 0.000 2.108 164 M HA -0.161 4.337 4.480 0.030 0.000 0.257 164 M C 1.950 178.049 176.300 -0.334 0.000 1.071 164 M CA 1.896 56.896 55.300 -0.499 0.000 1.093 164 M CB -1.622 30.547 32.600 -0.719 0.000 1.345 164 M HN 0.301 nan 8.290 nan 0.000 0.403 165 T N 0.080 114.462 114.554 -0.286 0.000 2.674 165 T HA -0.168 4.200 4.350 0.030 0.000 0.265 165 T C 1.820 176.421 174.700 -0.165 0.000 1.039 165 T CA 1.895 63.890 62.100 -0.176 0.000 1.150 165 T CB -0.248 68.540 68.868 -0.132 0.000 0.864 165 T HN 0.331 nan 8.240 nan 0.000 0.427 166 K N 0.843 121.123 120.400 -0.199 0.000 2.015 166 K HA -0.054 4.284 4.320 0.030 0.000 0.216 166 K C 2.084 178.536 176.600 -0.248 0.000 1.052 166 K CA 1.440 57.608 56.287 -0.197 0.000 0.937 166 K CB -0.594 31.768 32.500 -0.229 0.000 0.719 166 K HN 0.318 nan 8.250 nan 0.000 0.446 167 I N 0.630 120.965 120.570 -0.392 0.000 2.315 167 I HA -0.303 3.886 4.170 0.030 0.000 0.251 167 I C 1.685 177.673 176.117 -0.214 0.000 1.125 167 I CA 1.195 62.182 61.300 -0.523 0.000 1.392 167 I CB -0.263 37.346 38.000 -0.652 0.000 1.065 167 I HN 0.185 nan 8.210 nan 0.000 0.424 168 L N -0.309 120.843 121.223 -0.119 0.000 2.529 168 L HA 0.013 4.371 4.340 0.030 0.000 0.223 168 L C 2.205 179.144 176.870 0.115 0.000 1.113 168 L CA 0.249 55.109 54.840 0.034 0.000 0.861 168 L CB -0.408 41.651 42.059 -0.001 0.000 1.012 168 L HN 0.204 nan 8.230 nan 0.000 0.461 169 E N 0.846 121.075 120.200 0.049 0.000 2.114 169 E HA -0.234 4.134 4.350 0.030 0.000 0.199 169 E C -0.586 176.070 176.600 0.093 0.000 1.008 169 E CA 1.512 57.946 56.400 0.056 0.000 0.810 169 E CB -0.923 28.787 29.700 0.017 0.000 0.739 169 E HN 0.453 nan 8.360 nan 0.000 0.456 170 P HA -0.194 nan 4.420 nan 0.000 0.210 170 P C 1.294 178.662 177.300 0.113 0.000 1.189 170 P CA 1.032 64.201 63.100 0.115 0.000 0.920 170 P CB -0.206 31.584 31.700 0.151 0.000 0.782 171 F N 0.643 120.609 119.950 0.027 0.000 2.154 171 F HA -0.254 4.291 4.527 0.030 0.000 0.301 171 F C 2.194 178.009 175.800 0.025 0.000 1.087 171 F CA 1.628 59.641 58.000 0.021 0.000 1.274 171 F CB -0.272 38.795 39.000 0.112 0.000 1.009 171 F HN -0.248 nan 8.300 nan 0.000 0.485 172 R N 0.521 121.137 120.500 0.192 0.000 2.070 172 R HA -0.144 4.214 4.340 0.030 0.000 0.233 172 R C 2.179 178.463 176.300 -0.026 0.000 1.137 172 R CA 1.754 57.905 56.100 0.085 0.000 0.945 172 R CB -0.679 29.690 30.300 0.116 0.000 0.845 172 R HN 0.316 nan 8.270 nan 0.000 0.430 173 K N 1.179 121.575 120.400 -0.007 0.000 2.001 173 K HA -0.230 4.108 4.320 0.030 0.000 0.214 173 K C 2.312 178.867 176.600 -0.075 0.000 1.050 173 K CA 1.831 58.102 56.287 -0.027 0.000 0.934 173 K CB -0.235 32.260 32.500 -0.008 0.000 0.718 173 K HN 0.274 nan 8.250 nan 0.000 0.443 174 Q N 0.660 120.392 119.800 -0.114 0.000 2.062 174 Q HA -0.142 4.217 4.340 0.030 0.000 0.209 174 Q C 0.070 175.941 176.000 -0.216 0.000 0.996 174 Q CA 1.286 56.988 55.803 -0.168 0.000 0.859 174 Q CB -0.178 28.428 28.738 -0.221 0.000 0.920 174 Q HN 0.453 nan 8.270 nan 0.000 0.415 175 N N 0.237 118.740 118.700 -0.329 0.000 2.746 175 N HA 0.161 4.919 4.740 0.030 0.000 0.250 175 N C -2.429 172.971 175.510 -0.184 0.000 1.146 175 N CA -1.171 51.706 53.050 -0.289 0.000 0.828 175 N CB 1.470 39.680 38.487 -0.462 0.000 1.158 175 N HN 0.079 nan 8.380 nan 0.000 0.519 176 P HA -0.088 nan 4.420 nan 0.000 0.225 176 P C 0.484 177.775 177.300 -0.016 0.000 1.156 176 P CA 0.950 64.025 63.100 -0.040 0.000 0.787 176 P CB 0.279 31.960 31.700 -0.031 0.000 0.802 177 D N -0.313 120.073 120.400 -0.023 0.000 2.352 177 D HA -0.008 4.650 4.640 0.030 0.000 0.232 177 D C 0.254 176.569 176.300 0.026 0.000 1.055 177 D CA 0.092 54.092 54.000 0.000 0.000 0.891 177 D CB -0.350 40.448 40.800 -0.004 0.000 0.897 177 D HN 0.180 nan 8.370 nan 0.000 0.529 178 I N 0.988 121.577 120.570 0.031 0.000 2.389 178 I HA 0.130 4.318 4.170 0.030 0.000 0.288 178 I C -0.412 175.774 176.117 0.116 0.000 0.999 178 I CA -1.095 60.260 61.300 0.092 0.000 1.129 178 I CB 2.257 40.325 38.000 0.115 0.000 1.288 178 I HN -0.279 nan 8.210 nan 0.000 0.444 179 V N 7.506 127.492 119.914 0.120 0.000 2.394 179 V HA 0.463 4.601 4.120 0.030 0.000 0.282 179 V C 0.115 176.298 176.094 0.149 0.000 1.031 179 V CA -0.469 61.899 62.300 0.113 0.000 0.881 179 V CB 1.244 33.110 31.823 0.071 0.000 0.982 179 V HN 0.439 nan 8.190 nan 0.000 0.451 180 I N 5.331 125.997 120.570 0.160 0.000 2.378 180 I HA 0.398 4.586 4.170 0.030 0.000 0.291 180 I C -0.898 175.360 176.117 0.235 0.000 0.992 180 I CA -0.592 60.812 61.300 0.173 0.000 1.154 180 I CB 1.556 39.639 38.000 0.138 0.000 1.315 180 I HN 0.637 nan 8.210 nan 0.000 0.448 181 Y N 6.359 126.724 120.300 0.108 0.000 2.402 181 Y HA 0.295 4.864 4.550 0.030 0.000 0.332 181 Y C -0.107 175.924 175.900 0.218 0.000 0.960 181 Y CA -0.946 57.234 58.100 0.133 0.000 1.228 181 Y CB 0.939 39.444 38.460 0.076 0.000 1.120 181 Y HN 0.492 nan 8.280 nan 0.000 0.491 182 Q N 6.727 126.649 119.800 0.203 0.000 2.361 182 Q HA 0.053 4.411 4.340 0.030 0.000 0.250 182 Q C -2.034 173.909 176.000 -0.095 0.000 1.023 182 Q CA -0.082 55.727 55.803 0.009 0.000 0.915 182 Q CB 0.485 29.228 28.738 0.008 0.000 1.238 182 Q HN 0.815 nan 8.270 nan 0.000 0.451 183 Y N 6.044 126.164 120.300 -0.301 0.000 2.426 183 Y HA 0.288 4.856 4.550 0.031 0.000 0.325 183 Y C 0.366 176.292 175.900 0.043 0.000 0.989 183 Y CA -0.314 57.669 58.100 -0.196 0.000 1.284 183 Y CB 0.488 38.712 38.460 -0.394 0.000 1.104 183 Y HN 0.908 nan 8.280 nan 0.000 0.481 184 M N 2.058 121.365 119.600 -0.489 0.000 7.319 184 M HA -0.374 4.124 4.480 0.030 0.000 0.294 184 M C -0.411 175.909 176.300 0.034 0.000 0.480 184 M CA 2.487 57.615 55.300 -0.287 0.000 1.311 184 M CB -0.908 31.425 32.600 -0.445 0.000 0.421 184 M HN 0.655 nan 8.290 nan 0.000 0.557 185 D N 1.183 121.600 120.400 0.028 0.000 2.358 185 D HA 0.261 4.919 4.640 0.030 0.000 0.224 185 D C -0.951 175.366 176.300 0.028 0.000 1.123 185 D CA 0.367 54.392 54.000 0.042 0.000 0.833 185 D CB -0.101 40.688 40.800 -0.017 0.000 0.946 185 D HN 0.298 nan 8.370 nan 0.000 0.505 186 D N 0.020 120.432 120.400 0.020 0.000 2.457 186 D HA 0.391 5.049 4.640 0.030 0.000 0.240 186 D C -0.173 176.024 176.300 -0.172 0.000 1.041 186 D CA -0.427 53.494 54.000 -0.131 0.000 0.861 186 D CB 2.242 42.900 40.800 -0.238 0.000 1.394 186 D HN -0.101 nan 8.370 nan 0.000 0.473 187 L N 2.282 123.334 121.223 -0.285 0.000 2.342 187 L HA 0.326 4.684 4.340 0.030 0.000 0.276 187 L C -1.074 175.605 176.870 -0.319 0.000 0.997 187 L CA -0.822 53.904 54.840 -0.190 0.000 0.838 187 L CB 0.875 42.864 42.059 -0.117 0.000 1.224 187 L HN 0.260 nan 8.230 nan 0.000 0.416 188 Y N 3.029 123.264 120.300 -0.108 0.000 2.383 188 Y HA 0.343 4.912 4.550 0.031 0.000 0.344 188 Y C 0.188 176.076 175.900 -0.019 0.000 0.986 188 Y CA -0.521 57.505 58.100 -0.123 0.000 1.175 188 Y CB 1.293 39.662 38.460 -0.151 0.000 1.152 188 Y HN 0.155 nan 8.280 nan 0.000 0.511 189 V N 3.787 123.751 119.914 0.084 0.000 2.357 189 V HA 0.781 4.919 4.120 0.030 0.000 0.284 189 V C 0.296 176.520 176.094 0.216 0.000 1.018 189 V CA -0.650 61.728 62.300 0.130 0.000 0.841 189 V CB 1.221 33.082 31.823 0.064 0.000 0.991 189 V HN 0.909 nan 8.190 nan 0.000 0.437 190 G N 2.894 111.820 108.800 0.209 0.000 2.574 190 G HA2 0.839 4.817 3.960 0.030 0.000 0.299 190 G HA3 0.839 4.817 3.960 0.030 0.000 0.299 190 G C -0.674 174.339 174.900 0.187 0.000 1.298 190 G CA -0.023 45.195 45.100 0.196 0.000 0.952 190 G HN 0.965 nan 8.290 nan 0.000 0.477 191 S N -0.988 114.794 115.700 0.137 0.000 2.727 191 S HA 0.560 5.048 4.470 0.030 0.000 0.278 191 S C -1.064 173.558 174.600 0.036 0.000 1.186 191 S CA -0.649 57.624 58.200 0.122 0.000 0.836 191 S CB 2.065 65.410 63.200 0.243 0.000 1.186 191 S HN 0.307 nan 8.310 nan 0.000 0.499 192 D N 0.353 120.778 120.400 0.042 0.000 2.479 192 D HA 0.376 5.034 4.640 0.030 0.000 0.218 192 D C 0.288 176.604 176.300 0.026 0.000 1.177 192 D CA -0.026 53.981 54.000 0.013 0.000 0.830 192 D CB 0.228 41.031 40.800 0.005 0.000 1.014 192 D HN 0.390 nan 8.370 nan 0.000 0.503 193 L N 0.762 122.022 121.223 0.063 0.000 2.475 193 L HA 0.121 4.479 4.340 0.030 0.000 0.250 193 L C 1.063 177.971 176.870 0.065 0.000 1.224 193 L CA -0.346 54.539 54.840 0.074 0.000 0.821 193 L CB 0.488 42.619 42.059 0.120 0.000 1.141 193 L HN -0.234 nan 8.230 nan 0.000 0.494 194 E N 1.011 121.249 120.200 0.064 0.000 2.373 194 E HA 0.010 4.378 4.350 0.030 0.000 0.267 194 E C 0.960 177.613 176.600 0.088 0.000 1.032 194 E CA 0.020 56.452 56.400 0.055 0.000 0.889 194 E CB 1.103 30.829 29.700 0.043 0.000 0.984 194 E HN 0.553 nan 8.360 nan 0.000 0.425 195 I N 1.062 121.671 120.570 0.065 0.000 2.290 195 I HA -0.288 3.900 4.170 0.030 0.000 0.253 195 I C 1.425 177.619 176.117 0.129 0.000 1.112 195 I CA 2.353 63.706 61.300 0.089 0.000 1.377 195 I CB -0.090 37.940 38.000 0.050 0.000 1.060 195 I HN 0.457 nan 8.210 nan 0.000 0.428 196 G N -0.191 108.664 108.800 0.092 0.000 2.404 196 G HA2 -0.150 3.828 3.960 0.030 0.000 0.213 196 G HA3 -0.150 3.828 3.960 0.030 0.000 0.213 196 G C 1.500 176.452 174.900 0.086 0.000 1.189 196 G CA 0.371 45.519 45.100 0.079 0.000 0.796 196 G HN 0.396 nan 8.290 nan 0.000 0.532 197 Q N 0.152 120.004 119.800 0.086 0.000 2.014 197 Q HA -0.187 4.171 4.340 0.030 0.000 0.207 197 Q C 2.169 178.229 176.000 0.101 0.000 0.993 197 Q CA 2.049 57.898 55.803 0.078 0.000 0.850 197 Q CB -0.779 28.002 28.738 0.072 0.000 0.916 197 Q HN 0.691 nan 8.270 nan 0.000 0.417 198 H N 0.769 119.869 119.070 0.050 0.000 2.261 198 H HA -0.179 4.395 4.556 0.030 0.000 0.290 198 H C 2.117 177.489 175.328 0.073 0.000 1.081 198 H CA 2.729 58.816 56.048 0.065 0.000 1.196 198 H CB -0.164 29.634 29.762 0.060 0.000 1.350 198 H HN 0.098 nan 8.280 nan 0.000 0.498 199 R N -0.563 120.008 120.500 0.118 0.000 2.153 199 R HA -0.172 4.186 4.340 0.030 0.000 0.252 199 R C 1.865 178.166 176.300 0.003 0.000 1.158 199 R CA 2.200 58.335 56.100 0.057 0.000 0.975 199 R CB -0.522 29.838 30.300 0.100 0.000 0.871 199 R HN 0.523 nan 8.270 nan 0.000 0.450 200 T N 0.853 115.419 114.554 0.020 0.000 2.851 200 T HA 0.003 4.372 4.350 0.030 0.000 0.262 200 T C 1.718 176.437 174.700 0.030 0.000 1.043 200 T CA 0.724 62.840 62.100 0.026 0.000 1.140 200 T CB 0.028 68.918 68.868 0.037 0.000 0.872 200 T HN 0.207 nan 8.240 nan 0.000 0.446 201 K N 0.788 121.202 120.400 0.022 0.000 2.097 201 K HA 0.024 4.362 4.320 0.030 0.000 0.206 201 K C 2.187 178.845 176.600 0.096 0.000 1.049 201 K CA 0.800 57.147 56.287 0.100 0.000 0.933 201 K CB -0.529 32.027 32.500 0.094 0.000 0.717 201 K HN 0.243 nan 8.250 nan 0.000 0.442 202 I N 1.833 122.357 120.570 -0.076 0.000 2.099 202 I HA -0.274 3.914 4.170 0.030 0.000 0.239 202 I C 2.436 178.526 176.117 -0.044 0.000 1.066 202 I CA 1.502 62.737 61.300 -0.108 0.000 1.324 202 I CB -0.534 37.367 38.000 -0.164 0.000 1.037 202 I HN 0.153 nan 8.210 nan 0.000 0.401 203 E N 0.518 120.710 120.200 -0.013 0.000 2.160 203 E HA -0.275 4.093 4.350 0.030 0.000 0.195 203 E C 2.106 178.726 176.600 0.033 0.000 0.991 203 E CA 1.648 58.054 56.400 0.010 0.000 0.810 203 E CB -0.265 29.448 29.700 0.021 0.000 0.742 203 E HN 0.560 nan 8.360 nan 0.000 0.466 204 E N -0.137 120.105 120.200 0.070 0.000 2.028 204 E HA -0.161 4.207 4.350 0.030 0.000 0.191 204 E C 2.227 178.894 176.600 0.111 0.000 0.988 204 E CA 0.950 57.423 56.400 0.123 0.000 0.799 204 E CB -0.296 29.526 29.700 0.204 0.000 0.755 204 E HN 0.386 nan 8.360 nan 0.000 0.447 205 L N 0.949 122.179 121.223 0.012 0.000 1.971 205 L HA -0.283 4.075 4.340 0.030 0.000 0.215 205 L C 2.872 179.662 176.870 -0.134 0.000 1.072 205 L CA 1.812 56.453 54.840 -0.331 0.000 0.758 205 L CB -0.381 41.310 42.059 -0.613 0.000 0.889 205 L HN 0.212 nan 8.230 nan 0.000 0.433 206 R N -0.606 119.841 120.500 -0.087 0.000 2.133 206 R HA -0.286 4.072 4.340 0.030 0.000 0.245 206 R C 2.343 178.647 176.300 0.006 0.000 1.137 206 R CA 2.529 58.605 56.100 -0.041 0.000 0.947 206 R CB -0.298 29.990 30.300 -0.020 0.000 0.865 206 R HN 0.536 nan 8.270 nan 0.000 0.437 207 Q N -1.444 118.380 119.800 0.040 0.000 2.124 207 Q HA -0.226 4.132 4.340 0.030 0.000 0.202 207 Q C 2.080 178.154 176.000 0.123 0.000 0.977 207 Q CA 1.636 57.479 55.803 0.067 0.000 0.850 207 Q CB -0.183 28.596 28.738 0.069 0.000 0.901 207 Q HN 0.612 nan 8.270 nan 0.000 0.429 208 H N 0.129 119.223 119.070 0.041 0.000 2.423 208 H HA -0.067 4.507 4.556 0.030 0.000 0.297 208 H C 1.935 177.368 175.328 0.176 0.000 1.075 208 H CA 0.675 56.786 56.048 0.105 0.000 1.342 208 H CB 0.211 30.045 29.762 0.119 0.000 1.395 208 H HN 0.196 nan 8.280 nan 0.000 0.530 209 L N 0.480 121.692 121.223 -0.019 0.000 2.027 209 L HA -0.175 4.183 4.340 0.030 0.000 0.206 209 L C 2.684 179.586 176.870 0.054 0.000 1.074 209 L CA 0.657 55.469 54.840 -0.045 0.000 0.745 209 L CB -0.285 41.737 42.059 -0.062 0.000 0.898 209 L HN 0.307 nan 8.230 nan 0.000 0.433 210 L N -0.253 120.996 121.223 0.043 0.000 2.131 210 L HA -0.201 4.157 4.340 0.030 0.000 0.210 210 L C 2.660 179.548 176.870 0.030 0.000 1.092 210 L CA 1.005 55.871 54.840 0.043 0.000 0.759 210 L CB -0.616 41.460 42.059 0.029 0.000 0.903 210 L HN 0.321 nan 8.230 nan 0.000 0.435 211 R N -0.179 120.329 120.500 0.014 0.000 2.303 211 R HA -0.194 4.164 4.340 0.030 0.000 0.225 211 R C 1.128 177.268 176.300 -0.267 0.000 1.114 211 R CA 1.404 57.436 56.100 -0.113 0.000 1.007 211 R CB -0.073 30.180 30.300 -0.078 0.000 0.861 211 R HN 0.379 nan 8.270 nan 0.000 0.471 212 W N -1.067 120.205 121.300 -0.047 0.000 2.846 212 W HA 0.395 5.074 4.660 0.030 0.000 0.391 212 W C 0.856 177.365 176.519 -0.017 0.000 1.011 212 W CA 0.131 57.450 57.345 -0.043 0.000 1.832 212 W CB 1.109 30.509 29.460 -0.100 0.000 1.151 212 W HN 0.235 nan 8.180 nan 0.000 0.582 213 G N 0.965 109.855 108.800 0.150 0.000 2.143 213 G HA2 -0.315 3.663 3.960 0.030 0.000 0.249 213 G HA3 -0.315 3.663 3.960 0.030 0.000 0.249 213 G C 0.031 175.000 174.900 0.115 0.000 0.981 213 G CA -0.160 45.009 45.100 0.115 0.000 0.665 213 G HN 0.194 nan 8.290 nan 0.000 0.528 214 L N 2.878 124.170 121.223 0.116 0.000 2.422 214 L HA 0.286 4.644 4.340 0.030 0.000 0.256 214 L C 1.355 178.264 176.870 0.066 0.000 1.202 214 L CA 0.084 54.983 54.840 0.098 0.000 1.119 214 L CB 0.095 42.210 42.059 0.094 0.000 1.383 214 L HN 0.377 nan 8.230 nan 0.000 0.411 215 T N -1.901 112.690 114.554 0.061 0.000 2.708 215 T HA -0.039 4.329 4.350 0.030 0.000 0.271 215 T C 0.418 175.139 174.700 0.035 0.000 0.985 215 T CA -0.227 61.898 62.100 0.043 0.000 1.229 215 T CB 0.256 69.148 68.868 0.040 0.000 0.934 215 T HN 0.403 nan 8.240 nan 0.000 0.522 216 T N 5.964 120.534 114.554 0.027 0.000 2.767 216 T HA 0.467 4.835 4.350 0.030 0.000 0.288 216 T C -1.489 173.227 174.700 0.027 0.000 0.963 216 T CA -1.839 60.273 62.100 0.020 0.000 1.019 216 T CB 0.389 69.260 68.868 0.004 0.000 0.923 216 T HN 0.695 nan 8.240 nan 0.000 0.468 220 K N 0.974 121.295 120.400 -0.133 0.000 2.074 220 K HA -0.131 4.208 4.320 0.030 0.000 0.209 220 K C 1.522 177.998 176.600 -0.207 0.000 1.048 220 K CA 1.556 57.708 56.287 -0.226 0.000 0.926 220 K CB -0.152 32.106 32.500 -0.403 0.000 0.713 220 K HN 0.279 nan 8.250 nan 0.000 0.444 221 H N 0.392 119.475 119.070 0.022 0.000 2.497 221 H HA 0.068 4.642 4.556 0.030 0.000 0.282 221 H C 0.514 175.865 175.328 0.038 0.000 1.003 221 H CA 0.260 56.324 56.048 0.026 0.000 1.307 221 H CB 0.075 29.847 29.762 0.017 0.000 1.437 221 H HN 0.114 nan 8.280 nan 0.000 0.544 222 Q N 2.760 122.637 119.800 0.129 0.000 2.751 222 Q HA -0.091 4.267 4.340 0.030 0.000 0.338 222 Q C 0.177 176.253 176.000 0.125 0.000 1.085 222 Q CA 0.795 56.661 55.803 0.105 0.000 1.123 222 Q CB 0.143 28.927 28.738 0.076 0.000 0.975 222 Q HN 0.438 nan 8.270 nan 0.000 0.399 223 K N 2.491 122.980 120.400 0.149 0.000 2.319 223 K HA 0.151 4.489 4.320 0.030 0.000 0.265 223 K C 0.231 177.017 176.600 0.311 0.000 1.000 223 K CA -0.002 56.423 56.287 0.229 0.000 0.943 223 K CB 0.652 33.299 32.500 0.245 0.000 0.950 223 K HN 0.406 nan 8.250 nan 0.000 0.485 224 E N 0.957 121.328 120.200 0.285 0.000 2.413 224 E HA 0.327 4.695 4.350 0.030 0.000 0.277 224 E C -2.678 173.704 176.600 -0.364 0.000 0.958 224 E CA -2.181 54.268 56.400 0.082 0.000 0.779 224 E CB 1.766 31.484 29.700 0.031 0.000 1.278 224 E HN 0.286 nan 8.360 nan 0.000 0.456 225 P HA 0.226 nan 4.420 nan 0.000 0.278 225 P C -2.140 174.948 177.300 -0.353 0.000 1.238 225 P CA -0.928 61.600 63.100 -0.954 0.000 0.794 225 P CB -0.133 31.118 31.700 -0.747 0.000 0.955 226 P HA 0.179 nan 4.420 nan 0.000 0.273 226 P C -1.045 176.013 177.300 -0.403 0.000 1.250 226 P CA 0.127 62.970 63.100 -0.428 0.000 0.793 226 P CB 0.384 31.760 31.700 -0.541 0.000 1.011 227 F N -0.335 119.625 119.950 0.017 0.000 2.443 227 F HA 0.292 4.837 4.527 0.030 0.000 0.335 227 F C 0.376 176.250 175.800 0.123 0.000 1.104 227 F CA -0.895 57.163 58.000 0.096 0.000 1.013 227 F CB 0.717 39.792 39.000 0.124 0.000 1.136 227 F HN -0.021 nan 8.300 nan 0.000 0.470 228 L N 2.747 124.193 121.223 0.371 0.000 2.305 228 L HA 0.275 4.633 4.340 0.030 0.000 0.281 228 L C -1.110 176.029 176.870 0.448 0.000 1.085 228 L CA -0.256 54.776 54.840 0.321 0.000 0.813 228 L CB 0.375 42.580 42.059 0.243 0.000 1.157 228 L HN 0.602 nan 8.230 nan 0.000 0.436 229 W N 6.497 127.870 121.300 0.122 0.000 3.097 229 W HA 0.394 5.071 4.660 0.029 0.000 0.325 229 W C -0.576 175.997 176.519 0.090 0.000 1.056 229 W CA -1.222 56.160 57.345 0.061 0.000 1.254 229 W CB 1.002 30.464 29.460 0.003 0.000 1.202 229 W HN 0.515 nan 8.180 nan 0.000 0.400 230 M N 3.972 123.528 119.600 -0.073 0.000 2.592 230 M HA -0.183 4.315 4.480 0.030 0.000 0.174 230 M C 0.877 177.134 176.300 -0.071 0.000 1.069 230 M CA 2.026 57.266 55.300 -0.100 0.000 0.619 230 M CB -2.249 30.215 32.600 -0.228 0.000 1.146 230 M HN 1.405 nan 8.290 nan 0.000 0.822 231 G N 0.186 108.978 108.800 -0.014 0.000 2.162 231 G HA2 -0.302 3.676 3.960 0.030 0.000 0.260 231 G HA3 -0.302 3.676 3.960 0.030 0.000 0.260 231 G C -0.300 174.555 174.900 -0.075 0.000 0.976 231 G CA 0.612 45.685 45.100 -0.045 0.000 0.655 231 G HN 0.835 nan 8.290 nan 0.000 0.533 232 Y N 0.415 120.843 120.300 0.215 0.000 2.393 232 Y HA 0.552 5.120 4.550 0.029 0.000 0.341 232 Y C 0.430 176.468 175.900 0.231 0.000 0.988 232 Y CA -1.063 57.181 58.100 0.241 0.000 1.078 232 Y CB 1.513 40.076 38.460 0.172 0.000 1.203 232 Y HN 0.124 nan 8.280 nan 0.000 0.453 233 E N 4.208 124.647 120.200 0.399 0.000 2.156 233 E HA 0.350 4.718 4.350 0.030 0.000 0.279 233 E C -1.206 175.444 176.600 0.083 0.000 0.965 233 E CA -0.617 55.869 56.400 0.145 0.000 0.789 233 E CB 1.673 31.398 29.700 0.041 0.000 1.098 233 E HN 0.493 nan 8.360 nan 0.000 0.397 234 L N 5.172 126.417 121.223 0.035 0.000 2.314 234 L HA 0.250 4.608 4.340 0.030 0.000 0.275 234 L C 0.136 177.042 176.870 0.059 0.000 1.068 234 L CA -0.467 54.478 54.840 0.175 0.000 0.894 234 L CB -0.198 42.032 42.059 0.284 0.000 1.275 234 L HN 0.426 nan 8.230 nan 0.000 0.432 235 H N 3.272 122.511 119.070 0.281 0.000 2.495 235 H HA 0.220 4.794 4.556 0.030 0.000 0.350 235 H C -1.481 174.019 175.328 0.287 0.000 1.202 235 H CA -1.829 54.328 56.048 0.182 0.000 1.322 235 H CB 1.108 30.944 29.762 0.122 0.000 1.544 235 H HN 0.293 nan 8.280 nan 0.000 0.565 236 P HA -0.125 nan 4.420 nan 0.000 0.218 236 P C 0.409 177.877 177.300 0.280 0.000 1.149 236 P CA 1.442 64.663 63.100 0.201 0.000 0.817 236 P CB 0.457 32.223 31.700 0.111 0.000 0.785 237 D N -0.991 119.594 120.400 0.307 0.000 2.338 237 D HA 0.034 4.692 4.640 0.030 0.000 0.208 237 D C 0.248 176.740 176.300 0.319 0.000 0.997 237 D CA 0.756 54.922 54.000 0.277 0.000 0.880 237 D CB 0.298 41.172 40.800 0.123 0.000 0.980 237 D HN 0.241 nan 8.370 nan 0.000 0.509 238 K N -0.870 119.696 120.400 0.277 0.000 2.579 238 K HA 0.351 4.689 4.320 0.030 0.000 0.284 238 K C -1.418 175.157 176.600 -0.041 0.000 0.990 238 K CA -1.081 55.130 56.287 -0.127 0.000 0.880 238 K CB 0.565 32.993 32.500 -0.121 0.000 1.488 238 K HN -0.041 nan 8.250 nan 0.000 0.425 239 W N 0.217 121.343 121.300 -0.291 0.000 2.576 239 W HA 0.807 5.485 4.660 0.029 0.000 0.360 239 W C -1.051 175.518 176.519 0.084 0.000 1.109 239 W CA -0.787 56.499 57.345 -0.097 0.000 1.237 239 W CB 1.111 30.373 29.460 -0.329 0.000 1.369 239 W HN 0.835 nan 8.180 nan 0.000 0.609 240 T N -2.007 112.878 114.554 0.550 0.000 2.868 240 T HA 0.449 4.817 4.350 0.030 0.000 0.306 240 T C -1.152 173.937 174.700 0.649 0.000 1.224 240 T CA -0.783 61.586 62.100 0.449 0.000 1.012 240 T CB 1.640 70.711 68.868 0.338 0.000 1.221 240 T HN 0.369 nan 8.240 nan 0.000 0.499 241 V N 2.712 122.940 119.914 0.523 0.000 2.455 241 V HA 0.208 4.346 4.120 0.030 0.000 0.273 241 V C 0.806 177.087 176.094 0.312 0.000 1.045 241 V CA -0.440 62.126 62.300 0.442 0.000 0.976 241 V CB 0.478 32.523 31.823 0.371 0.000 0.993 241 V HN 0.866 nan 8.190 nan 0.000 0.475 242 Q N 6.512 126.456 119.800 0.239 0.000 2.361 242 Q HA 0.147 4.505 4.340 0.030 0.000 0.276 242 Q C -1.969 174.125 176.000 0.156 0.000 1.022 242 Q CA -1.306 54.605 55.803 0.179 0.000 0.898 242 Q CB 0.257 29.071 28.738 0.126 0.000 1.246 242 Q HN 0.540 nan 8.270 nan 0.000 0.410 243 P HA -0.113 nan 4.420 nan 0.000 0.259 243 P C -0.793 176.542 177.300 0.058 0.000 1.163 243 P CA 1.092 64.249 63.100 0.095 0.000 0.760 243 P CB 0.349 32.090 31.700 0.068 0.000 0.762 244 I N 3.598 124.195 120.570 0.045 0.000 2.404 244 I HA 0.289 4.477 4.170 0.030 0.000 0.293 244 I C 0.455 176.556 176.117 -0.026 0.000 0.992 244 I CA -1.108 60.190 61.300 -0.003 0.000 1.149 244 I CB 2.026 40.029 38.000 0.006 0.000 1.315 244 I HN 0.146 nan 8.210 nan 0.000 0.446 245 V N 5.256 125.152 119.914 -0.031 0.000 2.540 245 V HA 0.588 4.726 4.120 0.030 0.000 0.302 245 V C -0.647 175.443 176.094 -0.007 0.000 1.035 245 V CA -0.753 61.535 62.300 -0.019 0.000 0.873 245 V CB 1.766 33.581 31.823 -0.013 0.000 0.992 245 V HN 0.519 nan 8.190 nan 0.000 0.428 246 L N 6.309 127.541 121.223 0.015 0.000 2.283 246 L HA 0.502 4.860 4.340 0.030 0.000 0.281 246 L C -2.076 174.856 176.870 0.103 0.000 1.033 246 L CA -1.549 53.332 54.840 0.069 0.000 0.848 246 L CB 1.735 43.832 42.059 0.062 0.000 1.226 246 L HN 0.533 nan 8.230 nan 0.000 0.429 247 P HA 0.047 nan 4.420 nan 0.000 0.267 247 P C -0.541 176.778 177.300 0.032 0.000 1.209 247 P CA -0.155 62.956 63.100 0.019 0.000 0.763 247 P CB 1.329 32.994 31.700 -0.059 0.000 0.816 248 E N 3.198 123.402 120.200 0.008 0.000 2.313 248 E HA 0.418 4.786 4.350 0.030 0.000 0.272 248 E C -0.716 175.781 176.600 -0.170 0.000 1.038 248 E CA -0.192 56.233 56.400 0.043 0.000 0.863 248 E CB 0.735 30.477 29.700 0.070 0.000 1.060 248 E HN 0.258 nan 8.360 nan 0.000 0.402 249 K N 1.907 122.172 120.400 -0.226 0.000 2.579 249 K HA 0.330 4.668 4.320 0.030 0.000 0.284 249 K C -1.129 175.377 176.600 -0.156 0.000 0.990 249 K CA -0.582 55.484 56.287 -0.368 0.000 0.880 249 K CB 1.334 33.346 32.500 -0.814 0.000 1.488 249 K HN 0.297 nan 8.250 nan 0.000 0.425 250 D N -0.338 119.990 120.400 -0.121 0.000 2.368 250 D HA 0.149 4.807 4.640 0.030 0.000 0.218 250 D C -0.778 175.523 176.300 0.003 0.000 1.112 250 D CA 0.226 54.228 54.000 0.004 0.000 0.834 250 D CB 0.867 41.666 40.800 -0.002 0.000 0.953 250 D HN 0.179 nan 8.370 nan 0.000 0.505 251 S N -0.170 115.443 115.700 -0.144 0.000 2.572 251 S HA 0.568 5.056 4.470 0.030 0.000 0.274 251 S C -2.106 172.326 174.600 -0.279 0.000 1.150 251 S CA -0.715 57.428 58.200 -0.096 0.000 0.944 251 S CB 0.508 63.650 63.200 -0.097 0.000 1.071 251 S HN 0.123 nan 8.310 nan 0.000 0.479 252 W N 2.517 123.811 121.300 -0.010 0.000 2.756 252 W HA 0.413 5.092 4.660 0.032 0.000 0.333 252 W C 0.443 176.957 176.519 -0.009 0.000 1.025 252 W CA -0.629 56.710 57.345 -0.010 0.000 1.246 252 W CB 1.421 30.875 29.460 -0.011 0.000 1.358 252 W HN 0.682 nan 8.180 nan 0.000 0.444 253 T N -1.486 113.181 114.554 0.189 0.000 2.824 253 T HA 0.304 4.672 4.350 0.030 0.000 0.277 253 T C 0.953 175.730 174.700 0.128 0.000 0.975 253 T CA -0.522 61.649 62.100 0.119 0.000 0.966 253 T CB 1.230 70.133 68.868 0.058 0.000 1.054 253 T HN 0.186 nan 8.240 nan 0.000 0.533 254 V N 1.829 121.791 119.914 0.080 0.000 2.231 254 V HA -0.228 3.910 4.120 0.030 0.000 0.248 254 V C 2.829 178.963 176.094 0.066 0.000 1.054 254 V CA 2.597 64.934 62.300 0.062 0.000 1.015 254 V CB -1.363 30.483 31.823 0.040 0.000 0.638 254 V HN 0.980 nan 8.190 nan 0.000 0.444 255 N N -0.263 118.472 118.700 0.057 0.000 2.060 255 N HA -0.249 4.509 4.740 0.030 0.000 0.195 255 N C 1.520 177.076 175.510 0.077 0.000 1.028 255 N CA 1.716 54.797 53.050 0.051 0.000 0.861 255 N CB -0.160 38.349 38.487 0.036 0.000 1.029 255 N HN 0.542 nan 8.380 nan 0.000 0.428 256 D N 0.646 121.118 120.400 0.119 0.000 2.104 256 D HA -0.142 4.516 4.640 0.030 0.000 0.194 256 D C 1.879 178.320 176.300 0.236 0.000 0.994 256 D CA 0.945 55.069 54.000 0.206 0.000 0.830 256 D CB -0.293 40.688 40.800 0.302 0.000 0.959 256 D HN 0.428 nan 8.370 nan 0.000 0.452 257 I N 0.771 121.444 120.570 0.171 0.000 2.614 257 I HA -0.211 3.977 4.170 0.030 0.000 0.258 257 I C 2.389 178.518 176.117 0.019 0.000 1.189 257 I CA 0.763 62.089 61.300 0.044 0.000 1.462 257 I CB -0.161 37.833 38.000 -0.010 0.000 1.092 257 I HN 0.004 nan 8.210 nan 0.000 0.442 258 Q N 0.684 120.507 119.800 0.040 0.000 2.008 258 Q HA -0.117 4.241 4.340 0.030 0.000 0.196 258 Q C 2.221 178.238 176.000 0.028 0.000 0.973 258 Q CA 0.832 56.650 55.803 0.026 0.000 0.826 258 Q CB -0.049 28.705 28.738 0.027 0.000 0.894 258 Q HN 0.322 nan 8.270 nan 0.000 0.439 259 K N 1.077 121.500 120.400 0.038 0.000 2.034 259 K HA -0.209 4.129 4.320 0.030 0.000 0.214 259 K C 2.170 178.785 176.600 0.024 0.000 1.051 259 K CA 0.986 57.289 56.287 0.027 0.000 0.931 259 K CB -0.880 31.640 32.500 0.034 0.000 0.715 259 K HN 0.120 nan 8.250 nan 0.000 0.446 260 L N 1.380 122.634 121.223 0.051 0.000 1.956 260 L HA -0.214 4.144 4.340 0.030 0.000 0.216 260 L C 2.375 179.247 176.870 0.003 0.000 1.073 260 L CA 1.548 56.410 54.840 0.037 0.000 0.762 260 L CB -0.776 41.303 42.059 0.032 0.000 0.889 260 L HN -0.059 nan 8.230 nan 0.000 0.433 261 V N 0.362 120.271 119.914 -0.008 0.000 2.277 261 V HA -0.364 3.774 4.120 0.030 0.000 0.253 261 V C 2.555 178.662 176.094 0.022 0.000 1.067 261 V CA 2.045 64.342 62.300 -0.005 0.000 1.047 261 V CB -1.816 30.003 31.823 -0.007 0.000 0.649 261 V HN 0.734 nan 8.190 nan 0.000 0.447 262 G N -0.319 108.495 108.800 0.024 0.000 2.587 262 G HA2 -0.281 3.697 3.960 0.030 0.000 0.217 262 G HA3 -0.281 3.697 3.960 0.030 0.000 0.217 262 G C 1.593 176.521 174.900 0.046 0.000 1.240 262 G CA 1.074 46.197 45.100 0.038 0.000 0.794 262 G HN 0.421 nan 8.290 nan 0.000 0.580 263 K N -0.148 120.246 120.400 -0.009 0.000 2.059 263 K HA -0.069 4.269 4.320 0.030 0.000 0.212 263 K C 2.502 179.129 176.600 0.044 0.000 1.050 263 K CA 0.917 57.173 56.287 -0.052 0.000 0.927 263 K CB -0.582 31.863 32.500 -0.092 0.000 0.714 263 K HN 0.179 nan 8.250 nan 0.000 0.447 264 L N 1.926 123.172 121.223 0.038 0.000 2.079 264 L HA -0.193 4.165 4.340 0.030 0.000 0.210 264 L C 2.202 179.135 176.870 0.104 0.000 1.081 264 L CA 1.436 56.307 54.840 0.052 0.000 0.752 264 L CB -1.430 40.635 42.059 0.010 0.000 0.896 264 L HN 0.350 nan 8.230 nan 0.000 0.433 265 N N -0.483 118.284 118.700 0.112 0.000 2.084 265 N HA -0.243 4.515 4.740 0.030 0.000 0.190 265 N C 1.863 177.494 175.510 0.203 0.000 1.030 265 N CA 1.226 54.353 53.050 0.128 0.000 0.849 265 N CB -0.157 38.395 38.487 0.109 0.000 1.012 265 N HN 0.505 nan 8.380 nan 0.000 0.423 266 W N 2.285 123.599 121.300 0.024 0.000 2.374 266 W HA -0.047 4.631 4.660 0.030 0.000 0.288 266 W C 1.680 178.230 176.519 0.053 0.000 1.218 266 W CA 1.589 58.950 57.345 0.028 0.000 1.245 266 W CB -0.618 28.851 29.460 0.015 0.000 1.126 266 W HN 0.057 nan 8.180 nan 0.000 0.545 267 A N 0.707 123.808 122.820 0.469 0.000 2.014 267 A HA -0.121 4.217 4.320 0.030 0.000 0.218 267 A C 2.124 179.863 177.584 0.257 0.000 1.163 267 A CA 1.727 54.011 52.037 0.411 0.000 0.652 267 A CB -0.956 18.227 19.000 0.305 0.000 0.808 267 A HN 0.242 nan 8.150 nan 0.000 0.449 268 S N 0.425 116.218 115.700 0.155 0.000 2.407 268 S HA -0.261 4.227 4.470 0.030 0.000 0.235 268 S C 2.020 176.631 174.600 0.018 0.000 1.036 268 S CA 1.578 59.827 58.200 0.082 0.000 1.013 268 S CB -0.347 62.884 63.200 0.051 0.000 0.820 268 S HN 0.660 nan 8.310 nan 0.000 0.476 269 Q N 1.108 120.891 119.800 -0.028 0.000 1.942 269 Q HA -0.003 4.355 4.340 0.030 0.000 0.203 269 Q C 2.387 178.307 176.000 -0.133 0.000 0.987 269 Q CA 1.356 57.076 55.803 -0.139 0.000 0.844 269 Q CB -0.727 27.888 28.738 -0.204 0.000 0.911 269 Q HN 0.556 nan 8.270 nan 0.000 0.423 270 I N -0.912 119.611 120.570 -0.079 0.000 2.353 270 I HA -0.168 4.020 4.170 0.030 0.000 0.248 270 I C 0.367 176.326 176.117 -0.263 0.000 1.119 270 I CA 0.624 61.843 61.300 -0.134 0.000 1.417 270 I CB -0.151 37.794 38.000 -0.092 0.000 1.078 270 I HN 0.029 nan 8.210 nan 0.000 0.421 271 Y N 1.281 121.594 120.300 0.021 0.000 2.335 271 Y HA 0.256 4.823 4.550 0.029 0.000 0.339 271 Y C -1.508 174.383 175.900 -0.014 0.000 0.987 271 Y CA -2.344 55.764 58.100 0.014 0.000 1.140 271 Y CB 0.334 38.818 38.460 0.039 0.000 1.173 271 Y HN -0.145 nan 8.280 nan 0.000 0.486 272 P HA -0.251 nan 4.420 nan 0.000 0.230 272 P C 0.999 178.322 177.300 0.039 0.000 0.853 272 P CA 2.192 65.314 63.100 0.036 0.000 1.096 272 P CB 0.148 31.868 31.700 0.034 0.000 0.677 273 G N -0.896 107.928 108.800 0.040 0.000 3.496 273 G HA2 0.168 4.146 3.960 0.030 0.000 0.273 273 G HA3 0.168 4.146 3.960 0.030 0.000 0.273 273 G C 0.345 175.260 174.900 0.024 0.000 1.279 273 G CA -0.208 44.906 45.100 0.023 0.000 1.041 273 G HN 0.150 nan 8.290 nan 0.000 0.539 274 I N 0.428 121.024 120.570 0.044 0.000 2.880 274 I HA 0.057 4.245 4.170 0.030 0.000 0.296 274 I C 0.444 176.569 176.117 0.012 0.000 1.220 274 I CA 1.030 62.346 61.300 0.026 0.000 1.435 274 I CB 0.543 38.572 38.000 0.049 0.000 1.339 274 I HN 0.137 nan 8.210 nan 0.000 0.583 275 K N 3.460 123.857 120.400 -0.005 0.000 2.482 275 K HA 0.548 4.886 4.320 0.030 0.000 0.257 275 K C 0.035 176.622 176.600 -0.022 0.000 0.969 275 K CA -0.552 55.728 56.287 -0.010 0.000 0.842 275 K CB 2.712 35.203 32.500 -0.016 0.000 1.359 275 K HN 0.394 nan 8.250 nan 0.000 0.441 276 V N -1.849 118.052 119.914 -0.021 0.000 3.432 276 V HA 0.203 4.341 4.120 0.030 0.000 0.290 276 V C 1.490 177.563 176.094 -0.035 0.000 1.591 276 V CA -0.157 62.123 62.300 -0.033 0.000 1.069 276 V CB 0.336 32.147 31.823 -0.021 0.000 0.892 276 V HN 0.779 nan 8.190 nan 0.000 0.436 277 R N 0.672 121.155 120.500 -0.028 0.000 2.134 277 R HA -0.220 4.138 4.340 0.030 0.000 0.248 277 R C 2.225 178.504 176.300 -0.036 0.000 1.143 277 R CA 2.710 58.794 56.100 -0.026 0.000 0.957 277 R CB -0.080 30.206 30.300 -0.023 0.000 0.867 277 R HN 0.588 nan 8.270 nan 0.000 0.441 278 Q N -0.276 119.496 119.800 -0.046 0.000 2.245 278 Q HA 0.011 4.369 4.340 0.030 0.000 0.201 278 Q C 0.742 176.696 176.000 -0.076 0.000 0.955 278 Q CA 0.446 56.215 55.803 -0.057 0.000 0.870 278 Q CB 0.105 28.807 28.738 -0.060 0.000 0.945 278 Q HN 0.235 nan 8.270 nan 0.000 0.461 282 L N 1.582 122.781 121.223 -0.041 0.000 2.478 282 L HA 0.089 4.447 4.340 0.030 0.000 0.223 282 L C 1.200 178.058 176.870 -0.020 0.000 1.140 282 L CA 1.117 55.935 54.840 -0.037 0.000 0.842 282 L CB -0.148 41.875 42.059 -0.060 0.000 0.953 282 L HN 0.154 nan 8.230 nan 0.000 0.452 283 L N -1.061 120.152 121.223 -0.017 0.000 2.591 283 L HA 0.092 4.450 4.340 0.030 0.000 0.228 283 L C 1.014 177.883 176.870 -0.001 0.000 1.133 283 L CA 0.304 55.141 54.840 -0.005 0.000 0.880 283 L CB -0.692 41.365 42.059 -0.004 0.000 1.033 283 L HN 0.052 nan 8.230 nan 0.000 0.450 284 R N 0.205 120.702 120.500 -0.004 0.000 2.489 284 R HA 0.334 4.693 4.340 0.030 0.000 0.287 284 R C 1.324 177.625 176.300 0.001 0.000 1.053 284 R CA 0.591 56.690 56.100 -0.002 0.000 1.036 284 R CB -0.014 30.284 30.300 -0.004 0.000 0.966 284 R HN 0.287 nan 8.270 nan 0.000 0.432 285 G N 2.232 111.034 108.800 0.003 0.000 2.187 285 G HA2 -0.351 3.627 3.960 0.030 0.000 0.261 285 G HA3 -0.351 3.627 3.960 0.030 0.000 0.261 285 G C 0.354 175.258 174.900 0.007 0.000 1.000 285 G CA 0.772 45.874 45.100 0.005 0.000 0.718 285 G HN 0.763 nan 8.290 nan 0.000 0.519 286 T N -1.694 112.865 114.554 0.008 0.000 2.946 286 T HA 0.439 4.807 4.350 0.030 0.000 0.311 286 T C 1.322 176.029 174.700 0.011 0.000 1.063 286 T CA 0.668 62.775 62.100 0.011 0.000 1.139 286 T CB 1.405 70.281 68.868 0.013 0.000 0.994 286 T HN 0.767 nan 8.240 nan 0.000 0.547 287 K N 0.606 121.014 120.400 0.012 0.000 2.367 287 K HA 0.588 4.926 4.320 0.030 0.000 0.195 287 K C 0.360 176.967 176.600 0.012 0.000 1.060 287 K CA -0.302 55.991 56.287 0.011 0.000 1.022 287 K CB 0.690 33.196 32.500 0.010 0.000 0.894 287 K HN 0.741 nan 8.250 nan 0.000 0.540 288 A N 1.035 123.864 122.820 0.015 0.000 2.577 288 A HA 0.340 4.678 4.320 0.030 0.000 0.297 288 A C 0.177 177.772 177.584 0.019 0.000 1.060 288 A CA -0.780 51.266 52.037 0.015 0.000 0.697 288 A CB 0.880 19.888 19.000 0.013 0.000 1.281 288 A HN 0.009 nan 8.150 nan 0.000 0.402 289 L N 1.366 122.600 121.223 0.018 0.000 2.187 289 L HA -0.130 4.228 4.340 0.030 0.000 0.213 289 L C 2.716 179.602 176.870 0.026 0.000 1.100 289 L CA 2.839 57.692 54.840 0.022 0.000 0.765 289 L CB -1.825 40.246 42.059 0.019 0.000 0.904 289 L HN 1.049 nan 8.230 nan 0.000 0.437 290 T N -3.293 111.273 114.554 0.021 0.000 3.043 290 T HA -0.086 4.282 4.350 0.030 0.000 0.263 290 T C 0.906 175.621 174.700 0.025 0.000 1.094 290 T CA -0.263 61.849 62.100 0.020 0.000 1.127 290 T CB -0.109 68.766 68.868 0.011 0.000 0.905 290 T HN 0.339 nan 8.240 nan 0.000 0.490 291 E N 1.072 121.287 120.200 0.026 0.000 2.604 291 E HA 0.031 4.399 4.350 0.030 0.000 0.267 291 E C -1.035 175.590 176.600 0.042 0.000 0.970 291 E CA -0.072 56.345 56.400 0.028 0.000 0.956 291 E CB 0.443 30.158 29.700 0.025 0.000 0.939 291 E HN 0.205 nan 8.360 nan 0.000 0.465 292 V N 6.307 126.246 119.914 0.042 0.000 2.370 292 V HA 0.254 4.392 4.120 0.030 0.000 0.279 292 V C -0.219 175.913 176.094 0.063 0.000 1.029 292 V CA -0.521 61.816 62.300 0.062 0.000 0.870 292 V CB 0.932 32.786 31.823 0.053 0.000 0.984 292 V HN 0.461 nan 8.190 nan 0.000 0.451 293 I N 8.182 128.801 120.570 0.081 0.000 2.354 293 I HA 0.456 4.644 4.170 0.030 0.000 0.292 293 I C -2.071 174.088 176.117 0.071 0.000 0.989 293 I CA -2.162 59.172 61.300 0.057 0.000 1.188 293 I CB 1.694 39.715 38.000 0.034 0.000 1.342 293 I HN 0.436 nan 8.210 nan 0.000 0.457 294 P HA 0.237 nan 4.420 nan 0.000 0.281 294 P C -0.866 176.440 177.300 0.009 0.000 1.252 294 P CA -0.367 62.764 63.100 0.052 0.000 0.778 294 P CB 0.722 32.444 31.700 0.038 0.000 0.895 295 L N 3.123 124.340 121.223 -0.010 0.000 2.360 295 L HA 0.169 4.527 4.340 0.030 0.000 0.276 295 L C 1.761 178.601 176.870 -0.051 0.000 1.121 295 L CA -0.526 54.262 54.840 -0.086 0.000 0.845 295 L CB -0.149 41.802 42.059 -0.181 0.000 1.143 295 L HN 0.462 nan 8.230 nan 0.000 0.452 296 T N -1.268 113.253 114.554 -0.055 0.000 2.589 296 T HA -0.087 4.281 4.350 0.030 0.000 0.342 296 T C 0.992 175.671 174.700 -0.036 0.000 1.044 296 T CA 0.113 62.191 62.100 -0.037 0.000 1.020 296 T CB 0.968 69.813 68.868 -0.038 0.000 1.070 296 T HN 0.781 nan 8.240 nan 0.000 0.524 297 E N 0.145 120.329 120.200 -0.026 0.000 2.028 297 E HA -0.136 4.232 4.350 0.030 0.000 0.190 297 E C 2.099 178.680 176.600 -0.031 0.000 0.984 297 E CA 0.915 57.301 56.400 -0.022 0.000 0.800 297 E CB -0.155 29.537 29.700 -0.015 0.000 0.758 297 E HN 0.733 nan 8.360 nan 0.000 0.448 298 E N 0.639 120.820 120.200 -0.033 0.000 2.097 298 E HA -0.208 4.160 4.350 0.030 0.000 0.196 298 E C 1.802 178.371 176.600 -0.052 0.000 1.000 298 E CA 1.492 57.870 56.400 -0.037 0.000 0.804 298 E CB -0.344 29.336 29.700 -0.033 0.000 0.740 298 E HN 0.401 nan 8.360 nan 0.000 0.454 299 A N 0.525 123.304 122.820 -0.069 0.000 1.930 299 A HA -0.181 4.158 4.320 0.030 0.000 0.217 299 A C 2.127 179.644 177.584 -0.113 0.000 1.175 299 A CA 1.597 53.573 52.037 -0.102 0.000 0.627 299 A CB -0.407 18.514 19.000 -0.132 0.000 0.815 299 A HN 0.165 nan 8.150 nan 0.000 0.443 300 E N -0.368 119.779 120.200 -0.089 0.000 2.110 300 E HA -0.157 4.211 4.350 0.030 0.000 0.193 300 E C 1.755 178.324 176.600 -0.051 0.000 0.988 300 E CA 1.086 57.444 56.400 -0.070 0.000 0.804 300 E CB -0.310 29.368 29.700 -0.036 0.000 0.745 300 E HN 0.424 nan 8.360 nan 0.000 0.458 301 L N 0.957 122.154 121.223 -0.044 0.000 2.072 301 L HA -0.089 4.269 4.340 0.030 0.000 0.205 301 L C 2.130 178.976 176.870 -0.039 0.000 1.079 301 L CA 2.318 57.137 54.840 -0.034 0.000 0.752 301 L CB -0.645 41.398 42.059 -0.027 0.000 0.906 301 L HN 0.353 nan 8.230 nan 0.000 0.436 302 E N -0.928 119.241 120.200 -0.051 0.000 2.076 302 E HA -0.225 4.143 4.350 0.030 0.000 0.190 302 E C 2.150 178.711 176.600 -0.064 0.000 0.979 302 E CA 1.101 57.470 56.400 -0.053 0.000 0.807 302 E CB -0.767 28.900 29.700 -0.054 0.000 0.761 302 E HN 0.343 nan 8.360 nan 0.000 0.454 303 L N 1.261 122.430 121.223 -0.090 0.000 2.187 303 L HA -0.071 4.287 4.340 0.030 0.000 0.213 303 L C 2.245 179.079 176.870 -0.060 0.000 1.100 303 L CA 1.925 56.703 54.840 -0.103 0.000 0.765 303 L CB -0.586 41.374 42.059 -0.165 0.000 0.904 303 L HN 0.269 nan 8.230 nan 0.000 0.437 304 A N -0.429 122.365 122.820 -0.044 0.000 1.840 304 A HA -0.174 4.164 4.320 0.030 0.000 0.214 304 A C 2.128 179.695 177.584 -0.028 0.000 1.198 304 A CA 1.485 53.507 52.037 -0.025 0.000 0.608 304 A CB -0.680 18.309 19.000 -0.018 0.000 0.839 304 A HN 0.566 nan 8.150 nan 0.000 0.443 305 E N 0.265 120.446 120.200 -0.031 0.000 2.130 305 E HA -0.223 4.145 4.350 0.030 0.000 0.196 305 E C 1.831 178.408 176.600 -0.039 0.000 0.998 305 E CA 1.307 57.690 56.400 -0.029 0.000 0.806 305 E CB -0.267 29.418 29.700 -0.025 0.000 0.738 305 E HN 0.543 nan 8.360 nan 0.000 0.459 306 N N 0.985 119.656 118.700 -0.048 0.000 2.043 306 N HA -0.151 4.607 4.740 0.030 0.000 0.193 306 N C 1.655 177.111 175.510 -0.090 0.000 1.037 306 N CA 1.073 54.082 53.050 -0.068 0.000 0.851 306 N CB -0.364 38.084 38.487 -0.065 0.000 1.027 306 N HN 0.132 nan 8.380 nan 0.000 0.422 307 R N 0.742 121.203 120.500 -0.065 0.000 2.154 307 R HA -0.117 4.241 4.340 0.030 0.000 0.248 307 R C 1.568 177.827 176.300 -0.067 0.000 1.155 307 R CA 1.084 57.149 56.100 -0.058 0.000 0.979 307 R CB -0.068 30.218 30.300 -0.024 0.000 0.869 307 R HN 0.315 nan 8.270 nan 0.000 0.452 308 E N 0.254 120.421 120.200 -0.056 0.000 2.170 308 E HA -0.034 4.334 4.350 0.030 0.000 0.191 308 E C 2.029 178.597 176.600 -0.053 0.000 0.981 308 E CA 0.714 57.088 56.400 -0.043 0.000 0.830 308 E CB 0.062 29.747 29.700 -0.025 0.000 0.775 308 E HN 0.401 nan 8.360 nan 0.000 0.470 309 I N 0.780 121.302 120.570 -0.080 0.000 2.286 309 I HA -0.203 3.985 4.170 0.030 0.000 0.245 309 I C 2.259 178.216 176.117 -0.265 0.000 1.104 309 I CA 0.754 62.008 61.300 -0.077 0.000 1.397 309 I CB -0.174 37.795 38.000 -0.052 0.000 1.072 309 I HN 0.036 nan 8.210 nan 0.000 0.417 310 L N 0.402 121.361 121.223 -0.440 0.000 2.217 310 L HA -0.120 4.238 4.340 0.030 0.000 0.211 310 L C 1.276 177.986 176.870 -0.267 0.000 1.107 310 L CA 1.022 55.449 54.840 -0.688 0.000 0.783 310 L CB -0.450 41.347 42.059 -0.437 0.000 0.919 310 L HN 0.109 nan 8.230 nan 0.000 0.442 311 K N 0.891 121.216 120.400 -0.124 0.000 3.277 311 K HA 0.034 4.372 4.320 0.030 0.000 0.280 311 K C 0.287 176.899 176.600 0.020 0.000 1.182 311 K CA 0.157 56.425 56.287 -0.031 0.000 1.219 311 K CB -0.052 32.433 32.500 -0.025 0.000 1.373 311 K HN 0.139 nan 8.250 nan 0.000 0.392 312 E N 0.597 120.848 120.200 0.085 0.000 3.315 312 E HA 0.097 4.465 4.350 0.030 0.000 0.153 312 E C -2.558 174.199 176.600 0.261 0.000 0.934 312 E CA -1.306 55.181 56.400 0.144 0.000 1.426 312 E CB 0.427 30.207 29.700 0.135 0.000 1.048 312 E HN 0.050 nan 8.360 nan 0.000 0.422 313 P HA -0.190 nan 4.420 nan 0.000 0.265 313 P C -0.642 176.747 177.300 0.148 0.000 1.132 313 P CA 0.665 63.943 63.100 0.297 0.000 0.752 313 P CB 0.293 32.113 31.700 0.201 0.000 0.728 314 V N 2.083 122.018 119.914 0.035 0.000 2.472 314 V HA 0.588 4.726 4.120 0.030 0.000 0.290 314 V C 0.297 176.355 176.094 -0.059 0.000 1.037 314 V CA -0.575 61.687 62.300 -0.064 0.000 0.908 314 V CB 1.475 33.121 31.823 -0.294 0.000 0.985 314 V HN 0.656 nan 8.190 nan 0.000 0.454 315 H N 2.762 121.630 119.070 -0.337 0.000 2.748 315 H HA 0.950 5.524 4.556 0.030 0.000 0.315 315 H C -0.056 174.630 175.328 -1.071 0.000 1.429 315 H CA -0.887 54.818 56.048 -0.571 0.000 1.444 315 H CB 1.732 31.254 29.762 -0.401 0.000 1.827 315 H HN 1.096 nan 8.280 nan 0.000 0.754 316 G N -0.748 107.012 108.800 -1.733 0.000 2.673 316 G HA2 0.451 4.429 3.960 0.030 0.000 0.292 316 G HA3 0.451 4.429 3.960 0.030 0.000 0.292 316 G C -1.332 172.812 174.900 -1.260 0.000 1.450 316 G CA -0.494 43.489 45.100 -1.862 0.000 0.837 316 G HN 0.537 nan 8.290 nan 0.000 0.505 317 V N 0.199 119.841 119.914 -0.453 0.000 3.134 317 V HA 0.524 4.662 4.120 0.030 0.000 0.313 317 V C -0.207 175.938 176.094 0.084 0.000 1.069 317 V CA -0.525 61.679 62.300 -0.159 0.000 1.048 317 V CB 1.225 33.057 31.823 0.015 0.000 1.119 317 V HN 0.634 nan 8.190 nan 0.000 0.461 318 Y N -0.410 120.058 120.300 0.279 0.000 2.496 318 Y HA 0.387 4.955 4.550 0.031 0.000 0.325 318 Y C -0.149 175.952 175.900 0.335 0.000 1.271 318 Y CA -0.717 57.572 58.100 0.315 0.000 1.368 318 Y CB 0.587 39.175 38.460 0.213 0.000 1.415 318 Y HN 0.531 nan 8.280 nan 0.000 0.527 319 Y N 1.398 121.924 120.300 0.376 0.000 2.350 319 Y HA 0.194 4.762 4.550 0.030 0.000 0.340 319 Y C -0.583 175.409 175.900 0.153 0.000 1.006 319 Y CA -0.753 57.505 58.100 0.263 0.000 1.166 319 Y CB 0.552 39.229 38.460 0.362 0.000 1.168 319 Y HN 0.508 nan 8.280 nan 0.000 0.502 320 D N 8.808 128.998 120.400 -0.351 0.000 2.454 320 D HA 0.276 4.934 4.640 0.030 0.000 0.225 320 D C -2.094 173.723 176.300 -0.805 0.000 1.081 320 D CA -2.686 51.052 54.000 -0.436 0.000 0.864 320 D CB 1.862 42.567 40.800 -0.159 0.000 1.040 320 D HN 0.326 nan 8.370 nan 0.000 0.517 321 P HA -0.122 nan 4.420 nan 0.000 0.220 321 P C 0.848 177.999 177.300 -0.249 0.000 1.144 321 P CA 0.966 63.719 63.100 -0.578 0.000 0.800 321 P CB 0.208 31.733 31.700 -0.293 0.000 0.772 322 S N -2.845 112.734 115.700 -0.202 0.000 2.631 322 S HA 0.156 4.644 4.470 0.030 0.000 0.217 322 S C 0.627 175.173 174.600 -0.090 0.000 0.958 322 S CA -0.055 58.080 58.200 -0.109 0.000 0.920 322 S CB -0.400 62.750 63.200 -0.084 0.000 0.776 322 S HN 0.077 nan 8.310 nan 0.000 0.517 323 K N 1.183 121.515 120.400 -0.112 0.000 2.340 323 K HA 0.385 4.724 4.320 0.030 0.000 0.244 323 K C -1.177 175.387 176.600 -0.060 0.000 0.973 323 K CA -0.927 55.317 56.287 -0.072 0.000 0.828 323 K CB 0.872 33.336 32.500 -0.061 0.000 1.226 323 K HN 0.039 nan 8.250 nan 0.000 0.437 324 D N 1.554 121.914 120.400 -0.066 0.000 2.449 324 D HA 0.014 4.672 4.640 0.030 0.000 0.236 324 D C -0.394 175.808 176.300 -0.163 0.000 1.149 324 D CA 0.446 54.386 54.000 -0.099 0.000 0.878 324 D CB 0.732 41.472 40.800 -0.101 0.000 1.198 324 D HN 0.180 nan 8.370 nan 0.000 0.446 325 L N 3.632 124.716 121.223 -0.232 0.000 2.276 325 L HA 0.403 4.761 4.340 0.030 0.000 0.286 325 L C -0.371 176.219 176.870 -0.467 0.000 1.024 325 L CA -0.456 54.146 54.840 -0.398 0.000 0.826 325 L CB 0.595 42.397 42.059 -0.427 0.000 1.211 325 L HN 0.195 nan 8.230 nan 0.000 0.422 326 I N 3.395 123.597 120.570 -0.613 0.000 2.569 326 I HA 0.586 4.774 4.170 0.030 0.000 0.296 326 I C -0.212 175.420 176.117 -0.807 0.000 1.028 326 I CA -0.515 60.355 61.300 -0.717 0.000 1.082 326 I CB 2.222 39.724 38.000 -0.831 0.000 1.264 326 I HN 0.578 nan 8.210 nan 0.000 0.429 327 A N 5.117 127.554 122.820 -0.639 0.000 2.357 327 A HA 0.539 4.877 4.320 0.030 0.000 0.295 327 A C -0.849 176.646 177.584 -0.149 0.000 1.121 327 A CA -0.481 51.292 52.037 -0.440 0.000 0.742 327 A CB 1.097 19.701 19.000 -0.660 0.000 1.181 327 A HN 0.738 nan 8.150 nan 0.000 0.454 328 E N 2.487 122.722 120.200 0.059 0.000 2.191 328 E HA 0.644 5.012 4.350 0.030 0.000 0.278 328 E C -1.198 175.522 176.600 0.201 0.000 0.972 328 E CA -0.433 56.066 56.400 0.164 0.000 0.804 328 E CB 1.069 30.918 29.700 0.248 0.000 1.110 328 E HN 0.649 nan 8.360 nan 0.000 0.394 329 I N 3.391 124.078 120.570 0.195 0.000 2.509 329 I HA 0.254 4.442 4.170 0.030 0.000 0.293 329 I C -0.716 175.539 176.117 0.230 0.000 1.020 329 I CA -0.820 60.618 61.300 0.229 0.000 1.088 329 I CB 1.909 40.016 38.000 0.177 0.000 1.267 329 I HN 0.437 nan 8.210 nan 0.000 0.430 330 Q N 4.263 124.219 119.800 0.261 0.000 2.413 330 Q HA 0.435 4.793 4.340 0.030 0.000 0.276 330 Q C -0.832 175.315 176.000 0.245 0.000 1.099 330 Q CA -0.880 55.050 55.803 0.211 0.000 0.814 330 Q CB 2.443 31.253 28.738 0.120 0.000 1.379 330 Q HN 0.327 nan 8.270 nan 0.000 0.436 331 K N 1.618 122.069 120.400 0.085 0.000 2.292 331 K HA 0.145 4.483 4.320 0.030 0.000 0.270 331 K C -0.631 175.848 176.600 -0.203 0.000 1.062 331 K CA -0.108 56.032 56.287 -0.245 0.000 0.916 331 K CB 0.693 32.919 32.500 -0.458 0.000 1.166 331 K HN 0.601 nan 8.250 nan 0.000 0.458 332 Q N 3.768 123.453 119.800 -0.191 0.000 3.041 332 Q HA 0.204 4.562 4.340 0.030 0.000 0.372 332 Q C -0.569 175.333 176.000 -0.163 0.000 1.241 332 Q CA -0.025 55.705 55.803 -0.122 0.000 1.010 332 Q CB 0.121 28.822 28.738 -0.061 0.000 1.467 332 Q HN 0.969 nan 8.270 nan 0.000 0.462 333 G N 1.207 109.884 108.800 -0.206 0.000 2.459 333 G HA2 -0.201 3.777 3.960 0.030 0.000 0.685 333 G HA3 -0.201 3.777 3.960 0.030 0.000 0.685 333 G C -1.253 173.485 174.900 -0.271 0.000 1.303 333 G CA -0.878 44.114 45.100 -0.180 0.000 0.907 333 G HN 0.441 nan 8.290 nan 0.000 0.632 334 Q N 0.281 119.971 119.800 -0.184 0.000 2.274 334 Q HA 0.411 4.769 4.340 0.030 0.000 0.280 334 Q C 1.540 177.432 176.000 -0.180 0.000 1.047 334 Q CA 1.404 57.100 55.803 -0.179 0.000 0.907 334 Q CB -0.019 28.645 28.738 -0.123 0.000 1.171 334 Q HN 2.574 nan 8.270 nan 0.000 0.381 335 G N 3.308 111.989 108.800 -0.198 0.000 2.187 335 G HA2 -0.339 3.639 3.960 0.030 0.000 0.261 335 G HA3 -0.339 3.639 3.960 0.030 0.000 0.261 335 G C -0.109 174.755 174.900 -0.059 0.000 1.000 335 G CA 0.787 45.898 45.100 0.017 0.000 0.718 335 G HN 0.631 nan 8.290 nan 0.000 0.519 336 Q N -1.248 118.263 119.800 -0.481 0.000 2.353 336 Q HA 0.644 5.003 4.340 0.030 0.000 0.268 336 Q C -1.056 174.592 176.000 -0.586 0.000 1.045 336 Q CA -1.036 54.602 55.803 -0.275 0.000 0.811 336 Q CB 1.395 30.038 28.738 -0.159 0.000 1.305 336 Q HN 0.336 nan 8.270 nan 0.000 0.447 337 W N 0.822 122.177 121.300 0.092 0.000 3.033 337 W HA 0.531 5.211 4.660 0.033 0.000 0.336 337 W C -0.702 175.837 176.519 0.034 0.000 1.173 337 W CA -0.689 56.711 57.345 0.092 0.000 1.185 337 W CB 1.630 31.188 29.460 0.164 0.000 1.425 337 W HN 0.511 nan 8.180 nan 0.000 0.536 338 T N -0.348 114.357 114.554 0.252 0.000 2.863 338 T HA 0.808 5.177 4.350 0.030 0.000 0.285 338 T C -1.292 173.500 174.700 0.153 0.000 1.009 338 T CA -0.702 61.436 62.100 0.063 0.000 0.989 338 T CB 1.706 70.579 68.868 0.009 0.000 1.004 338 T HN 0.559 nan 8.240 nan 0.000 0.455 339 Y N 0.003 120.307 120.300 0.006 0.000 2.571 339 Y HA 0.758 5.325 4.550 0.028 0.000 0.341 339 Y C -1.326 174.587 175.900 0.021 0.000 1.076 339 Y CA -1.312 56.806 58.100 0.029 0.000 1.029 339 Y CB 1.731 40.199 38.460 0.013 0.000 1.308 339 Y HN 0.850 nan 8.280 nan 0.000 0.461 340 Q N 3.259 123.254 119.800 0.325 0.000 2.309 340 Q HA 0.563 4.921 4.340 0.030 0.000 0.273 340 Q C -1.936 174.228 176.000 0.273 0.000 1.040 340 Q CA -0.745 55.214 55.803 0.261 0.000 0.834 340 Q CB 2.841 31.684 28.738 0.174 0.000 1.345 340 Q HN 0.937 nan 8.270 nan 0.000 0.414 341 I N 3.581 124.278 120.570 0.212 0.000 2.355 341 I HA 0.498 4.686 4.170 0.030 0.000 0.288 341 I C -0.914 175.193 176.117 -0.017 0.000 0.999 341 I CA -0.966 60.311 61.300 -0.037 0.000 1.163 341 I CB 0.749 38.710 38.000 -0.065 0.000 1.316 341 I HN 0.650 nan 8.210 nan 0.000 0.454 342 Y N 3.175 123.411 120.300 -0.107 0.000 2.609 342 Y HA 0.561 5.129 4.550 0.029 0.000 0.342 342 Y C 0.123 175.952 175.900 -0.119 0.000 1.058 342 Y CA -0.948 57.104 58.100 -0.080 0.000 1.055 342 Y CB 1.111 39.558 38.460 -0.022 0.000 1.292 342 Y HN 0.420 nan 8.280 nan 0.000 0.476 343 Q N 0.403 120.252 119.800 0.081 0.000 2.389 343 Q HA 0.195 4.553 4.340 0.030 0.000 0.201 343 Q C -0.648 175.439 176.000 0.145 0.000 0.956 343 Q CA 0.358 56.167 55.803 0.011 0.000 0.871 343 Q CB 0.624 29.371 28.738 0.015 0.000 0.990 343 Q HN 0.776 nan 8.270 nan 0.000 0.554 344 E N 1.945 122.249 120.200 0.173 0.000 2.231 344 E HA 0.306 4.674 4.350 0.030 0.000 0.277 344 E C -2.565 174.112 176.600 0.129 0.000 0.999 344 E CA -2.326 54.149 56.400 0.125 0.000 0.827 344 E CB 1.002 30.740 29.700 0.064 0.000 1.101 344 E HN -0.050 nan 8.360 nan 0.000 0.393 345 P HA -0.098 nan 4.420 nan 0.000 0.261 345 P C -0.343 176.879 177.300 -0.131 0.000 1.183 345 P CA 0.846 63.786 63.100 -0.266 0.000 0.761 345 P CB -0.016 31.503 31.700 -0.301 0.000 0.785 346 F N -0.509 119.204 119.950 -0.395 0.000 2.656 346 F HA -0.275 4.267 4.527 0.026 0.000 0.381 346 F C 0.531 176.232 175.800 -0.165 0.000 0.603 346 F CA 0.365 58.215 58.000 -0.250 0.000 1.335 346 F CB -0.767 38.136 39.000 -0.163 0.000 1.836 346 F HN 0.359 nan 8.300 nan 0.000 0.290 347 K N 1.983 122.418 120.400 0.058 0.000 2.357 347 K HA 0.252 4.590 4.320 0.030 0.000 0.251 347 K C -0.234 176.381 176.600 0.026 0.000 1.069 347 K CA -0.446 55.841 56.287 0.001 0.000 0.994 347 K CB 0.602 33.124 32.500 0.038 0.000 1.411 347 K HN 0.017 nan 8.250 nan 0.000 0.450 348 N N 2.491 121.156 118.700 -0.058 0.000 2.525 348 N HA 0.127 4.886 4.740 0.030 0.000 0.271 348 N C 0.935 176.495 175.510 0.082 0.000 1.194 348 N CA -0.025 53.054 53.050 0.048 0.000 0.964 348 N CB 1.308 39.799 38.487 0.006 0.000 1.126 348 N HN 0.364 nan 8.380 nan 0.000 0.452 349 L N 0.435 121.797 121.223 0.231 0.000 2.316 349 L HA 0.226 4.584 4.340 0.030 0.000 0.207 349 L C 0.838 178.058 176.870 0.583 0.000 1.070 349 L CA 0.624 55.711 54.840 0.412 0.000 0.820 349 L CB 0.152 42.423 42.059 0.353 0.000 0.992 349 L HN 0.509 nan 8.230 nan 0.000 0.466 350 K N -0.469 120.190 120.400 0.432 0.000 2.587 350 K HA 0.366 4.704 4.320 0.030 0.000 0.276 350 K C -1.338 175.412 176.600 0.250 0.000 0.956 350 K CA -0.423 56.105 56.287 0.401 0.000 0.857 350 K CB 2.037 34.761 32.500 0.373 0.000 1.431 350 K HN -0.023 nan 8.250 nan 0.000 0.420 351 T N -1.107 113.510 114.554 0.106 0.000 2.865 351 T HA 0.929 5.297 4.350 0.030 0.000 0.294 351 T C -0.153 174.232 174.700 -0.525 0.000 1.119 351 T CA -0.425 61.581 62.100 -0.157 0.000 1.007 351 T CB 1.950 70.732 68.868 -0.143 0.000 1.225 351 T HN 0.844 nan 8.240 nan 0.000 0.515 352 G N -0.042 108.059 108.800 -1.165 0.000 2.451 352 G HA2 0.590 4.568 3.960 0.030 0.000 0.292 352 G HA3 0.590 4.568 3.960 0.030 0.000 0.292 352 G C -2.137 172.083 174.900 -1.133 0.000 1.427 352 G CA -0.815 43.565 45.100 -1.200 0.000 0.792 352 G HN 0.995 nan 8.290 nan 0.000 0.498 353 K N -0.735 119.276 120.400 -0.648 0.000 2.525 353 K HA 0.646 4.984 4.320 0.030 0.000 0.254 353 K C -2.023 174.449 176.600 -0.213 0.000 0.934 353 K CA -0.980 55.093 56.287 -0.357 0.000 0.802 353 K CB 1.956 34.360 32.500 -0.160 0.000 1.295 353 K HN 0.375 nan 8.250 nan 0.000 0.433 354 Y N 1.997 122.423 120.300 0.210 0.000 2.385 354 Y HA 0.429 4.996 4.550 0.029 0.000 0.341 354 Y C 0.711 176.730 175.900 0.198 0.000 0.965 354 Y CA -0.669 57.555 58.100 0.207 0.000 1.180 354 Y CB 1.251 39.848 38.460 0.228 0.000 1.139 354 Y HN 0.841 nan 8.280 nan 0.000 0.502 355 A N 3.740 126.732 122.820 0.287 0.000 2.455 355 A HA 0.134 4.472 4.320 0.030 0.000 0.244 355 A C 0.660 178.360 177.584 0.194 0.000 1.099 355 A CA -0.513 51.634 52.037 0.184 0.000 0.786 355 A CB 0.098 19.177 19.000 0.131 0.000 1.051 355 A HN 0.841 nan 8.150 nan 0.000 0.508 356 R N 1.449 122.026 120.500 0.127 0.000 2.351 356 R HA 0.264 4.622 4.340 0.030 0.000 0.321 356 R C -0.456 175.902 176.300 0.097 0.000 1.182 356 R CA 0.126 56.292 56.100 0.110 0.000 1.011 356 R CB -0.497 29.835 30.300 0.055 0.000 1.048 356 R HN 0.666 nan 8.270 nan 0.000 0.490 357 M N 5.057 124.723 119.600 0.111 0.000 2.522 357 M HA 0.062 4.560 4.480 0.030 0.000 0.333 357 M C 0.267 176.612 176.300 0.075 0.000 1.632 357 M CA 0.747 56.096 55.300 0.082 0.000 1.293 357 M CB 0.422 33.065 32.600 0.072 0.000 1.857 357 M HN 0.314 nan 8.290 nan 0.000 0.456 358 R N 2.941 123.479 120.500 0.063 0.000 3.206 358 R HA 0.150 4.508 4.340 0.030 0.000 0.209 358 R C 0.696 177.036 176.300 0.067 0.000 1.632 358 R CA -0.286 55.848 56.100 0.057 0.000 1.234 358 R CB -0.578 29.749 30.300 0.044 0.000 1.270 358 R HN 0.787 nan 8.270 nan 0.000 0.665 359 G N 0.069 108.918 108.800 0.081 0.000 2.562 359 G HA2 0.271 4.249 3.960 0.030 0.000 0.275 359 G HA3 0.271 4.249 3.960 0.030 0.000 0.275 359 G C 0.884 175.864 174.900 0.132 0.000 1.196 359 G CA -0.229 44.933 45.100 0.104 0.000 0.908 359 G HN 0.492 nan 8.290 nan 0.000 0.524 360 A N -0.422 122.511 122.820 0.189 0.000 2.066 360 A HA 0.246 4.584 4.320 0.030 0.000 0.218 360 A C 0.841 178.614 177.584 0.315 0.000 1.157 360 A CA 1.708 53.872 52.037 0.210 0.000 0.670 360 A CB -0.725 18.398 19.000 0.205 0.000 0.804 360 A HN 1.361 nan 8.150 nan 0.000 0.453 361 H N -4.469 114.643 119.070 0.071 0.000 3.539 361 H HA 0.435 5.009 4.556 0.030 0.000 0.392 361 H C -0.972 174.428 175.328 0.121 0.000 1.684 361 H CA -0.351 55.746 56.048 0.082 0.000 1.639 361 H CB -0.259 29.542 29.762 0.065 0.000 2.665 361 H HN 0.006 nan 8.280 nan 0.000 0.353 362 T N 2.178 116.790 114.554 0.096 0.000 2.804 362 T HA 0.473 4.841 4.350 0.030 0.000 0.290 362 T C -0.633 174.119 174.700 0.087 0.000 1.099 362 T CA -1.004 61.132 62.100 0.060 0.000 1.011 362 T CB 1.673 70.578 68.868 0.061 0.000 1.291 362 T HN 0.830 nan 8.240 nan 0.000 0.523 363 N N -1.036 117.700 118.700 0.059 0.000 2.242 363 N HA 0.385 5.143 4.740 0.030 0.000 0.292 363 N C -0.190 175.323 175.510 0.006 0.000 1.125 363 N CA -0.711 52.373 53.050 0.057 0.000 0.783 363 N CB 1.195 39.717 38.487 0.059 0.000 1.558 363 N HN 0.307 nan 8.380 nan 0.000 0.472 364 D N 0.722 121.187 120.400 0.109 0.000 2.133 364 D HA -0.135 4.524 4.640 0.030 0.000 0.195 364 D C 1.645 177.925 176.300 -0.034 0.000 0.997 364 D CA 1.325 55.439 54.000 0.190 0.000 0.840 364 D CB -0.158 40.839 40.800 0.328 0.000 0.947 364 D HN 0.419 nan 8.370 nan 0.000 0.452 365 V N 0.872 120.581 119.914 -0.342 0.000 2.469 365 V HA -0.260 3.879 4.120 0.030 0.000 0.251 365 V C 2.309 177.889 176.094 -0.856 0.000 1.064 365 V CA 1.537 63.422 62.300 -0.692 0.000 1.066 365 V CB -0.468 30.600 31.823 -1.259 0.000 0.667 365 V HN 0.091 nan 8.190 nan 0.000 0.461 366 K N 0.766 120.695 120.400 -0.786 0.000 1.973 366 K HA -0.156 4.182 4.320 0.030 0.000 0.210 366 K C 2.230 178.634 176.600 -0.325 0.000 1.045 366 K CA 1.712 57.697 56.287 -0.504 0.000 0.937 366 K CB -0.649 31.709 32.500 -0.236 0.000 0.721 366 K HN 0.451 nan 8.250 nan 0.000 0.438 367 Q N 0.084 119.772 119.800 -0.186 0.000 2.152 367 Q HA -0.173 4.185 4.340 0.030 0.000 0.206 367 Q C 1.912 177.567 176.000 -0.575 0.000 0.985 367 Q CA 1.515 57.222 55.803 -0.159 0.000 0.863 367 Q CB -0.318 28.553 28.738 0.223 0.000 0.904 367 Q HN 0.349 nan 8.270 nan 0.000 0.422 368 L N 0.398 121.213 121.223 -0.680 0.000 2.012 368 L HA -0.196 4.162 4.340 0.030 0.000 0.210 368 L C 2.119 178.500 176.870 -0.815 0.000 1.073 368 L CA 2.013 56.185 54.840 -1.113 0.000 0.748 368 L CB -1.067 40.598 42.059 -0.656 0.000 0.891 368 L HN 0.230 nan 8.230 nan 0.000 0.431 369 T N 0.088 114.278 114.554 -0.607 0.000 2.759 369 T HA -0.200 4.168 4.350 0.030 0.000 0.269 369 T C 1.677 176.099 174.700 -0.463 0.000 1.042 369 T CA 1.794 63.586 62.100 -0.514 0.000 1.140 369 T CB -0.018 68.669 68.868 -0.301 0.000 0.864 369 T HN 0.487 nan 8.240 nan 0.000 0.455 370 E N 0.459 120.410 120.200 -0.415 0.000 2.152 370 E HA 0.018 4.386 4.350 0.030 0.000 0.192 370 E C 2.458 178.777 176.600 -0.469 0.000 0.983 370 E CA 0.787 56.970 56.400 -0.363 0.000 0.818 370 E CB -0.130 29.404 29.700 -0.277 0.000 0.758 370 E HN 0.483 nan 8.360 nan 0.000 0.467 371 A N 1.034 123.502 122.820 -0.586 0.000 1.898 371 A HA -0.129 4.209 4.320 0.030 0.000 0.216 371 A C 2.498 179.837 177.584 -0.409 0.000 1.181 371 A CA 1.025 52.739 52.037 -0.540 0.000 0.620 371 A CB -0.628 18.000 19.000 -0.621 0.000 0.819 371 A HN 0.111 nan 8.150 nan 0.000 0.442 372 V N 0.590 120.184 119.914 -0.534 0.000 2.392 372 V HA -0.309 3.829 4.120 0.030 0.000 0.249 372 V C 2.768 178.586 176.094 -0.459 0.000 1.059 372 V CA 2.275 64.188 62.300 -0.645 0.000 1.051 372 V CB -0.826 30.386 31.823 -1.018 0.000 0.658 372 V HN 0.751 nan 8.190 nan 0.000 0.455 373 Q N 0.762 120.318 119.800 -0.406 0.000 2.016 373 Q HA -0.225 4.133 4.340 0.030 0.000 0.200 373 Q C 2.325 178.196 176.000 -0.215 0.000 0.978 373 Q CA 1.814 57.450 55.803 -0.277 0.000 0.833 373 Q CB -0.162 28.432 28.738 -0.241 0.000 0.895 373 Q HN 0.618 nan 8.270 nan 0.000 0.427 374 K N 0.264 120.490 120.400 -0.289 0.000 2.113 374 K HA -0.132 4.206 4.320 0.030 0.000 0.208 374 K C 2.299 178.824 176.600 -0.126 0.000 1.047 374 K CA 1.528 57.663 56.287 -0.254 0.000 0.928 374 K CB -0.203 31.984 32.500 -0.521 0.000 0.716 374 K HN 0.302 nan 8.250 nan 0.000 0.446 375 I N 0.822 121.323 120.570 -0.114 0.000 2.113 375 I HA -0.285 3.904 4.170 0.030 0.000 0.238 375 I C 2.254 178.366 176.117 -0.010 0.000 1.070 375 I CA 1.449 62.692 61.300 -0.094 0.000 1.332 375 I CB -0.783 37.167 38.000 -0.083 0.000 1.044 375 I HN 0.191 nan 8.210 nan 0.000 0.402 376 T N 0.286 114.873 114.554 0.055 0.000 2.665 376 T HA -0.210 4.158 4.350 0.030 0.000 0.268 376 T C 1.881 176.591 174.700 0.016 0.000 1.035 376 T CA 2.259 64.403 62.100 0.075 0.000 1.151 376 T CB -0.515 68.375 68.868 0.037 0.000 0.862 376 T HN 0.390 nan 8.240 nan 0.000 0.438 377 T N 1.401 115.939 114.554 -0.025 0.000 2.708 377 T HA -0.123 4.245 4.350 0.030 0.000 0.266 377 T C 1.909 176.584 174.700 -0.042 0.000 1.037 377 T CA 1.505 63.586 62.100 -0.032 0.000 1.146 377 T CB -0.322 68.515 68.868 -0.051 0.000 0.865 377 T HN 0.549 nan 8.240 nan 0.000 0.435 378 E N 0.746 120.915 120.200 -0.053 0.000 2.070 378 E HA -0.172 4.197 4.350 0.030 0.000 0.197 378 E C 2.296 178.830 176.600 -0.109 0.000 1.004 378 E CA 1.567 57.916 56.400 -0.086 0.000 0.805 378 E CB -0.041 29.614 29.700 -0.074 0.000 0.744 378 E HN 0.449 nan 8.360 nan 0.000 0.451 379 S N 0.807 116.513 115.700 0.009 0.000 2.345 379 S HA -0.150 4.338 4.470 0.030 0.000 0.220 379 S C 1.995 176.641 174.600 0.076 0.000 1.031 379 S CA 1.056 59.362 58.200 0.176 0.000 0.996 379 S CB -0.256 63.102 63.200 0.262 0.000 0.882 379 S HN 0.266 nan 8.310 nan 0.000 0.445 380 I N 1.996 122.591 120.570 0.041 0.000 2.145 380 I HA -0.174 4.014 4.170 0.030 0.000 0.244 380 I C 2.370 178.467 176.117 -0.032 0.000 1.075 380 I CA 1.203 62.517 61.300 0.023 0.000 1.332 380 I CB -1.779 36.230 38.000 0.014 0.000 1.033 380 I HN 0.152 nan 8.210 nan 0.000 0.410 381 V N 0.994 120.860 119.914 -0.081 0.000 2.295 381 V HA -0.256 3.882 4.120 0.030 0.000 0.246 381 V C 2.471 178.431 176.094 -0.222 0.000 1.049 381 V CA 1.856 64.081 62.300 -0.125 0.000 1.024 381 V CB -0.385 31.358 31.823 -0.134 0.000 0.648 381 V HN 0.293 nan 8.190 nan 0.000 0.447 382 I N -1.875 118.459 120.570 -0.393 0.000 2.333 382 I HA -0.144 4.044 4.170 0.030 0.000 0.246 382 I C 2.120 177.758 176.117 -0.798 0.000 1.106 382 I CA 1.463 62.312 61.300 -0.750 0.000 1.411 382 I CB -0.191 36.965 38.000 -1.406 0.000 1.082 382 I HN 0.390 nan 8.210 nan 0.000 0.420 383 W N 0.144 121.320 121.300 -0.206 0.000 2.975 383 W HA 0.362 5.040 4.660 0.030 0.000 0.316 383 W C 1.314 177.761 176.519 -0.120 0.000 1.131 383 W CA 0.616 57.795 57.345 -0.277 0.000 1.624 383 W CB -0.176 28.986 29.460 -0.496 0.000 1.038 383 W HN 0.265 nan 8.180 nan 0.000 0.571 384 G N 2.426 111.275 108.800 0.081 0.000 2.246 384 G HA2 -0.300 3.678 3.960 0.030 0.000 0.273 384 G HA3 -0.300 3.678 3.960 0.030 0.000 0.273 384 G C -0.034 174.923 174.900 0.094 0.000 1.055 384 G CA 0.694 45.836 45.100 0.069 0.000 0.851 384 G HN 0.268 nan 8.290 nan 0.000 0.500 385 K N -1.374 119.091 120.400 0.109 0.000 2.578 385 K HA 0.637 4.975 4.320 0.030 0.000 0.287 385 K C -0.794 175.838 176.600 0.054 0.000 1.010 385 K CA -0.878 55.454 56.287 0.076 0.000 0.889 385 K CB 1.343 33.884 32.500 0.069 0.000 1.514 385 K HN 0.050 nan 8.250 nan 0.000 0.424 386 T N 2.488 117.053 114.554 0.018 0.000 2.859 386 T HA 0.448 4.816 4.350 0.030 0.000 0.281 386 T C -2.458 172.170 174.700 -0.121 0.000 1.005 386 T CA -1.452 60.643 62.100 -0.009 0.000 1.025 386 T CB 1.524 70.420 68.868 0.047 0.000 0.977 386 T HN 0.258 nan 8.240 nan 0.000 0.458 387 P HA 0.338 nan 4.420 nan 0.000 0.277 387 P C -0.666 176.360 177.300 -0.458 0.000 1.276 387 P CA -0.777 62.025 63.100 -0.496 0.000 0.788 387 P CB 0.529 31.741 31.700 -0.813 0.000 1.114 388 K N 0.665 120.803 120.400 -0.436 0.000 2.211 388 K HA 0.407 4.746 4.320 0.030 0.000 0.275 388 K C -0.535 175.859 176.600 -0.344 0.000 1.024 388 K CA -0.238 55.901 56.287 -0.246 0.000 0.887 388 K CB 0.086 32.481 32.500 -0.175 0.000 1.084 388 K HN 0.358 nan 8.250 nan 0.000 0.463 389 F N 1.589 121.498 119.950 -0.069 0.000 2.394 389 F HA 0.280 4.824 4.527 0.027 0.000 0.340 389 F C 0.979 176.803 175.800 0.041 0.000 1.105 389 F CA -0.278 57.689 58.000 -0.054 0.000 1.124 389 F CB 1.213 40.145 39.000 -0.113 0.000 1.145 389 F HN 0.079 nan 8.300 nan 0.000 0.505 390 K N 5.509 126.024 120.400 0.191 0.000 2.464 390 K HA 0.522 4.860 4.320 0.030 0.000 0.252 390 K C -1.298 175.413 176.600 0.186 0.000 1.000 390 K CA -0.322 56.064 56.287 0.166 0.000 0.951 390 K CB 1.075 33.630 32.500 0.090 0.000 1.183 390 K HN 0.517 nan 8.250 nan 0.000 0.445 391 L N 4.022 125.389 121.223 0.239 0.000 2.362 391 L HA 0.476 4.835 4.340 0.030 0.000 0.271 391 L C -1.978 175.030 176.870 0.231 0.000 1.002 391 L CA -2.201 52.714 54.840 0.124 0.000 0.818 391 L CB 2.009 43.950 42.059 -0.197 0.000 1.298 391 L HN 0.375 nan 8.230 nan 0.000 0.420 392 P HA 0.165 nan 4.420 nan 0.000 0.220 392 P C -0.594 176.914 177.300 0.347 0.000 1.778 392 P CA 0.413 63.680 63.100 0.279 0.000 0.912 392 P CB 0.185 32.000 31.700 0.191 0.000 1.861 393 I N -0.735 120.102 120.570 0.445 0.000 2.571 393 I HA 0.224 4.412 4.170 0.030 0.000 0.289 393 I C -0.497 175.794 176.117 0.291 0.000 1.115 393 I CA -0.914 60.535 61.300 0.247 0.000 1.045 393 I CB 2.479 40.496 38.000 0.028 0.000 1.238 393 I HN -0.188 nan 8.210 nan 0.000 0.424 394 Q N 6.252 126.002 119.800 -0.083 0.000 2.286 394 Q HA 0.056 4.414 4.340 0.030 0.000 0.290 394 Q C 0.668 176.775 176.000 0.179 0.000 1.049 394 Q CA -0.000 55.631 55.803 -0.287 0.000 0.923 394 Q CB 1.093 29.644 28.738 -0.312 0.000 1.183 394 Q HN 0.560 nan 8.270 nan 0.000 0.383 395 K N 2.751 123.265 120.400 0.189 0.000 2.218 395 K HA -0.208 4.130 4.320 0.030 0.000 0.205 395 K C 1.364 178.177 176.600 0.354 0.000 1.046 395 K CA 1.495 57.989 56.287 0.346 0.000 0.933 395 K CB 0.241 32.767 32.500 0.044 0.000 0.728 395 K HN 0.611 nan 8.250 nan 0.000 0.454 396 E N -0.335 119.966 120.200 0.167 0.000 2.051 396 E HA -0.084 4.285 4.350 0.030 0.000 0.189 396 E C 1.975 178.657 176.600 0.136 0.000 0.979 396 E CA 1.334 57.802 56.400 0.114 0.000 0.803 396 E CB -0.237 29.479 29.700 0.027 0.000 0.761 396 E HN 0.249 nan 8.360 nan 0.000 0.451 397 T N 1.675 116.310 114.554 0.135 0.000 2.684 397 T HA -0.228 4.141 4.350 0.030 0.000 0.267 397 T C 1.387 176.237 174.700 0.250 0.000 1.036 397 T CA 1.285 63.464 62.100 0.131 0.000 1.148 397 T CB -0.556 68.360 68.868 0.080 0.000 0.863 397 T HN 0.433 nan 8.240 nan 0.000 0.436 398 W N 2.086 123.514 121.300 0.212 0.000 2.333 398 W HA -0.223 4.453 4.660 0.027 0.000 0.316 398 W C 2.183 178.999 176.519 0.496 0.000 1.215 398 W CA 1.740 59.284 57.345 0.332 0.000 1.278 398 W CB -0.296 29.428 29.460 0.441 0.000 1.154 398 W HN 0.270 nan 8.180 nan 0.000 0.486 399 E N 0.155 120.461 120.200 0.177 0.000 2.058 399 E HA -0.206 4.162 4.350 0.030 0.000 0.194 399 E C 2.191 178.628 176.600 -0.273 0.000 0.997 399 E CA 3.040 59.401 56.400 -0.064 0.000 0.801 399 E CB -0.640 29.104 29.700 0.073 0.000 0.746 399 E HN 0.063 nan 8.360 nan 0.000 0.450 400 T N -0.299 114.199 114.554 -0.093 0.000 2.720 400 T HA -0.190 4.178 4.350 0.030 0.000 0.268 400 T C 1.149 175.794 174.700 -0.093 0.000 1.037 400 T CA 1.502 63.543 62.100 -0.098 0.000 1.144 400 T CB -0.494 68.367 68.868 -0.011 0.000 0.864 400 T HN 0.408 nan 8.240 nan 0.000 0.444 401 W N 0.689 121.863 121.300 -0.210 0.000 2.424 401 W HA -0.053 4.628 4.660 0.035 0.000 0.323 401 W C 2.217 178.585 176.519 -0.252 0.000 1.175 401 W CA 1.111 58.340 57.345 -0.194 0.000 1.312 401 W CB -0.961 28.410 29.460 -0.148 0.000 1.186 401 W HN 0.365 nan 8.180 nan 0.000 0.463 402 W N 1.556 122.648 121.300 -0.347 0.000 2.290 402 W HA -0.325 4.351 4.660 0.027 0.000 0.311 402 W C 2.189 178.415 176.519 -0.489 0.000 1.238 402 W CA 3.173 60.125 57.345 -0.655 0.000 1.255 402 W CB -1.520 27.278 29.460 -1.103 0.000 1.145 402 W HN -0.023 nan 8.180 nan 0.000 0.506 403 T N -0.216 113.643 114.554 -1.159 0.000 2.946 403 T HA -0.205 4.164 4.350 0.030 0.000 0.271 403 T C 1.337 175.690 174.700 -0.578 0.000 1.104 403 T CA 2.110 63.541 62.100 -1.115 0.000 1.114 403 T CB -0.202 68.128 68.868 -0.896 0.000 0.867 403 T HN 0.248 nan 8.240 nan 0.000 0.513 404 E N -1.152 118.768 120.200 -0.467 0.000 2.421 404 E HA 0.266 4.634 4.350 0.030 0.000 0.209 404 E C -0.277 176.160 176.600 -0.271 0.000 0.871 404 E CA -0.327 55.888 56.400 -0.308 0.000 1.064 404 E CB 0.039 29.599 29.700 -0.233 0.000 1.075 404 E HN 0.466 nan 8.360 nan 0.000 0.513 405 Y N 1.927 121.853 120.300 -0.624 0.000 2.904 405 Y HA -0.197 4.373 4.550 0.033 0.000 0.336 405 Y C 1.274 176.964 175.900 -0.350 0.000 1.263 405 Y CA 0.176 57.891 58.100 -0.642 0.000 1.547 405 Y CB 0.386 38.096 38.460 -1.250 0.000 1.272 405 Y HN 0.269 nan 8.280 nan 0.000 0.596 406 W N 4.672 125.539 121.300 -0.721 0.000 2.611 406 W HA -0.029 4.649 4.660 0.030 0.000 0.251 406 W C -0.536 175.683 176.519 -0.500 0.000 1.265 406 W CA 0.445 57.471 57.345 -0.533 0.000 1.295 406 W CB -0.194 28.977 29.460 -0.481 0.000 1.129 406 W HN 0.574 nan 8.180 nan 0.000 0.630 407 Q N 1.232 120.120 119.800 -1.519 0.000 2.340 407 Q HA 0.518 4.876 4.340 0.030 0.000 0.268 407 Q C -0.265 175.473 176.000 -0.437 0.000 1.031 407 Q CA -0.559 54.515 55.803 -1.215 0.000 0.804 407 Q CB 2.325 29.905 28.738 -1.932 0.000 1.286 407 Q HN 0.023 nan 8.270 nan 0.000 0.448 408 A N 2.659 125.332 122.820 -0.245 0.000 2.565 408 A HA 0.318 4.656 4.320 0.030 0.000 0.237 408 A C 0.085 177.679 177.584 0.016 0.000 1.053 408 A CA 0.934 52.936 52.037 -0.059 0.000 0.755 408 A CB 0.418 19.392 19.000 -0.043 0.000 0.980 408 A HN 0.737 nan 8.150 nan 0.000 0.506 409 T N 0.583 115.212 114.554 0.124 0.000 2.718 409 T HA 0.572 4.940 4.350 0.030 0.000 0.306 409 T C -2.092 172.779 174.700 0.284 0.000 1.485 409 T CA -0.024 62.205 62.100 0.214 0.000 0.997 409 T CB 0.759 69.836 68.868 0.349 0.000 1.504 409 T HN 1.757 nan 8.240 nan 0.000 0.497 410 W N 1.733 123.053 121.300 0.034 0.000 3.370 410 W HA 0.602 5.282 4.660 0.033 0.000 0.304 410 W C -2.814 173.575 176.519 -0.218 0.000 1.161 410 W CA -0.844 56.457 57.345 -0.074 0.000 1.132 410 W CB 0.443 29.824 29.460 -0.133 0.000 1.377 410 W HN 0.701 nan 8.180 nan 0.000 0.568 411 I N 5.516 125.346 120.570 -1.233 0.000 2.498 411 I HA 0.356 4.544 4.170 0.030 0.000 0.290 411 I C -1.888 173.155 176.117 -1.789 0.000 1.032 411 I CA -2.131 58.278 61.300 -1.485 0.000 1.073 411 I CB 2.067 39.106 38.000 -1.601 0.000 1.251 411 I HN 0.082 nan 8.210 nan 0.000 0.426 412 P HA -0.025 nan 4.420 nan 0.000 0.280 412 P C -0.432 176.712 177.300 -0.261 0.000 1.278 412 P CA -0.437 62.079 63.100 -0.973 0.000 0.787 412 P CB 0.370 31.784 31.700 -0.477 0.000 1.163 413 E N 0.894 121.098 120.200 0.007 0.000 2.652 413 E HA -0.042 4.326 4.350 0.030 0.000 0.255 413 E C -0.815 175.908 176.600 0.205 0.000 0.952 413 E CA 0.280 56.735 56.400 0.092 0.000 0.947 413 E CB 0.063 29.803 29.700 0.067 0.000 0.912 413 E HN 0.353 nan 8.360 nan 0.000 0.489 414 W N 3.504 124.757 121.300 -0.078 0.000 3.003 414 W HA 0.599 5.273 4.660 0.024 0.000 0.362 414 W C -1.449 175.056 176.519 -0.024 0.000 1.213 414 W CA -0.896 56.421 57.345 -0.046 0.000 1.157 414 W CB 0.605 29.978 29.460 -0.145 0.000 1.493 414 W HN 0.564 nan 8.180 nan 0.000 0.589 415 E N 0.770 121.085 120.200 0.191 0.000 2.390 415 E HA 0.423 4.791 4.350 0.030 0.000 0.277 415 E C -2.043 174.727 176.600 0.283 0.000 0.939 415 E CA -0.684 55.692 56.400 -0.041 0.000 0.769 415 E CB 3.034 32.729 29.700 -0.009 0.000 1.251 415 E HN 0.262 nan 8.360 nan 0.000 0.450 416 F N 3.382 123.339 119.950 0.012 0.000 2.389 416 F HA 0.542 5.076 4.527 0.012 0.000 0.337 416 F C -1.133 174.748 175.800 0.136 0.000 1.112 416 F CA -0.329 57.797 58.000 0.209 0.000 1.192 416 F CB 1.331 40.404 39.000 0.123 0.000 1.185 416 F HN 0.164 nan 8.300 nan 0.000 0.552 417 V N 6.158 125.560 119.914 -0.852 0.000 2.733 417 V HA 0.302 4.440 4.120 0.030 0.000 0.306 417 V C -1.012 174.503 176.094 -0.965 0.000 1.084 417 V CA -0.851 60.991 62.300 -0.762 0.000 0.905 417 V CB 1.786 33.473 31.823 -0.227 0.000 1.010 417 V HN 0.843 nan 8.190 nan 0.000 0.424 418 N N 3.774 122.025 118.700 -0.748 0.000 3.298 418 N HA 0.227 4.985 4.740 0.030 0.000 0.292 418 N C -0.271 175.191 175.510 -0.080 0.000 1.271 418 N CA 0.019 52.898 53.050 -0.286 0.000 1.184 418 N CB 0.309 38.749 38.487 -0.079 0.000 1.452 418 N HN 0.712 nan 8.380 nan 0.000 0.534 419 T N 2.518 117.047 114.554 -0.043 0.000 3.375 419 T HA 0.291 4.659 4.350 0.030 0.000 0.363 419 T C -2.355 172.371 174.700 0.044 0.000 1.837 419 T CA -1.099 61.004 62.100 0.005 0.000 1.445 419 T CB 0.927 69.799 68.868 0.007 0.000 1.089 419 T HN 0.248 nan 8.240 nan 0.000 0.722 420 P HA -0.016 nan 4.420 nan 0.000 0.272 420 P C -2.039 175.287 177.300 0.044 0.000 1.194 420 P CA -0.663 62.471 63.100 0.058 0.000 0.777 420 P CB -0.009 31.721 31.700 0.050 0.000 0.814 421 P HA 0.151 nan 4.420 nan 0.000 0.274 421 P C -0.714 176.622 177.300 0.060 0.000 1.256 421 P CA 0.138 63.263 63.100 0.042 0.000 0.795 421 P CB 0.693 32.414 31.700 0.036 0.000 1.038 422 L N 0.149 121.403 121.223 0.051 0.000 2.334 422 L HA 0.437 4.795 4.340 0.030 0.000 0.270 422 L C 0.504 177.384 176.870 0.017 0.000 1.018 422 L CA -1.386 53.502 54.840 0.080 0.000 0.811 422 L CB 1.737 43.860 42.059 0.106 0.000 1.271 422 L HN 0.210 nan 8.230 nan 0.000 0.443 423 V N 0.188 120.132 119.914 0.051 0.000 2.509 423 V HA 0.627 4.765 4.120 0.030 0.000 0.284 423 V C -0.323 175.709 176.094 -0.105 0.000 1.047 423 V CA -0.480 61.830 62.300 0.016 0.000 0.952 423 V CB 1.035 32.930 31.823 0.120 0.000 0.988 423 V HN 0.964 nan 8.190 nan 0.000 0.469 424 K N 3.839 124.084 120.400 -0.258 0.000 2.507 424 K HA 0.703 5.041 4.320 0.030 0.000 0.284 424 K C -1.541 174.844 176.600 -0.358 0.000 1.038 424 K CA -1.196 54.900 56.287 -0.319 0.000 0.903 424 K CB 1.894 34.141 32.500 -0.421 0.000 1.531 424 K HN 0.548 nan 8.250 nan 0.000 0.430 425 L N 1.907 122.987 121.223 -0.239 0.000 2.260 425 L HA 0.306 4.664 4.340 0.030 0.000 0.289 425 L C -0.054 176.739 176.870 -0.129 0.000 1.057 425 L CA -0.717 54.053 54.840 -0.117 0.000 0.811 425 L CB 0.256 42.294 42.059 -0.035 0.000 1.184 425 L HN 0.665 nan 8.230 nan 0.000 0.429 426 W N 3.195 124.503 121.300 0.013 0.000 2.699 426 W HA -0.009 4.670 4.660 0.031 0.000 0.249 426 W C 0.211 176.884 176.519 0.256 0.000 1.280 426 W CA 0.004 57.429 57.345 0.133 0.000 1.345 426 W CB -0.373 29.208 29.460 0.201 0.000 1.128 426 W HN 0.517 nan 8.180 nan 0.000 0.642 427 Y N -3.122 117.320 120.300 0.238 0.000 2.687 427 Y HA 0.466 5.032 4.550 0.028 0.000 0.338 427 Y C -1.296 174.691 175.900 0.144 0.000 1.189 427 Y CA -2.247 55.952 58.100 0.165 0.000 1.097 427 Y CB 0.345 38.903 38.460 0.163 0.000 1.342 427 Y HN -0.135 nan 8.280 nan 0.000 0.461 428 Q N 3.074 122.993 119.800 0.199 0.000 2.295 428 Q HA 0.482 4.840 4.340 0.030 0.000 0.259 428 Q C -1.355 174.766 176.000 0.201 0.000 0.966 428 Q CA -0.793 55.073 55.803 0.105 0.000 0.763 428 Q CB 2.663 31.438 28.738 0.062 0.000 1.283 428 Q HN 0.752 nan 8.270 nan 0.000 0.445 429 L N 2.465 123.828 121.223 0.232 0.000 2.525 429 L HA 0.017 4.375 4.340 0.030 0.000 0.278 429 L C 0.789 177.773 176.870 0.190 0.000 1.218 429 L CA 0.095 55.071 54.840 0.227 0.000 0.878 429 L CB 0.138 42.318 42.059 0.201 0.000 1.127 429 L HN 0.412 nan 8.230 nan 0.000 0.492 430 E N 2.333 122.665 120.200 0.220 0.000 2.418 430 E HA -0.037 4.331 4.350 0.030 0.000 0.261 430 E C 0.479 177.217 176.600 0.230 0.000 1.070 430 E CA -0.047 56.464 56.400 0.184 0.000 0.931 430 E CB 0.676 30.469 29.700 0.155 0.000 0.954 430 E HN 0.286 nan 8.360 nan 0.000 0.439 431 K N 0.837 121.297 120.400 0.101 0.000 2.305 431 K HA 0.052 4.390 4.320 0.030 0.000 0.199 431 K C 0.059 176.657 176.600 -0.003 0.000 1.047 431 K CA 0.799 57.138 56.287 0.086 0.000 0.976 431 K CB 0.426 32.942 32.500 0.027 0.000 0.765 431 K HN 0.294 nan 8.250 nan 0.000 0.474 432 E N -0.731 119.330 120.200 -0.232 0.000 2.393 432 E HA 0.339 4.707 4.350 0.030 0.000 0.273 432 E C -2.726 173.250 176.600 -1.040 0.000 0.918 432 E CA -2.612 53.453 56.400 -0.559 0.000 0.773 432 E CB 1.376 30.914 29.700 -0.270 0.000 1.275 432 E HN -0.274 nan 8.360 nan 0.000 0.451 433 P HA 0.072 nan 4.420 nan 0.000 0.266 433 P C -0.242 176.869 177.300 -0.315 0.000 1.193 433 P CA 0.356 62.976 63.100 -0.800 0.000 0.770 433 P CB 0.345 31.853 31.700 -0.320 0.000 0.836 434 I N 2.507 123.009 120.570 -0.114 0.000 2.396 434 I HA 0.073 4.261 4.170 0.030 0.000 0.289 434 I C 0.322 176.427 176.117 -0.020 0.000 1.056 434 I CA -0.644 60.631 61.300 -0.042 0.000 1.365 434 I CB 0.604 38.617 38.000 0.022 0.000 1.407 434 I HN 0.029 nan 8.210 nan 0.000 0.509 435 V N 5.960 125.857 119.914 -0.027 0.000 2.715 435 V HA 0.181 4.319 4.120 0.030 0.000 0.299 435 V C 1.383 177.480 176.094 0.006 0.000 1.054 435 V CA 0.645 62.938 62.300 -0.011 0.000 1.077 435 V CB 0.809 32.622 31.823 -0.017 0.000 0.972 435 V HN 1.135 nan 8.190 nan 0.000 0.484 436 G N 3.143 111.952 108.800 0.014 0.000 2.180 436 G HA2 -0.139 3.839 3.960 0.030 0.000 0.263 436 G HA3 -0.139 3.839 3.960 0.030 0.000 0.263 436 G C 0.303 175.221 174.900 0.030 0.000 0.989 436 G CA 0.387 45.499 45.100 0.019 0.000 0.692 436 G HN 1.525 nan 8.290 nan 0.000 0.526 437 A N -0.571 122.272 122.820 0.039 0.000 2.325 437 A HA 0.768 5.106 4.320 0.030 0.000 0.333 437 A C 0.274 177.906 177.584 0.081 0.000 1.155 437 A CA 0.072 52.144 52.037 0.058 0.000 0.814 437 A CB 0.872 19.907 19.000 0.059 0.000 1.206 437 A HN 0.538 nan 8.150 nan 0.000 0.482 438 E N 0.394 120.662 120.200 0.113 0.000 2.398 438 E HA 0.274 4.642 4.350 0.030 0.000 0.263 438 E C -0.717 175.998 176.600 0.193 0.000 1.046 438 E CA 0.259 56.737 56.400 0.130 0.000 0.908 438 E CB 0.478 30.278 29.700 0.167 0.000 0.963 438 E HN 0.528 nan 8.360 nan 0.000 0.431 439 T N 4.679 119.306 114.554 0.122 0.000 2.809 439 T HA 0.313 4.681 4.350 0.030 0.000 0.296 439 T C -0.976 173.788 174.700 0.106 0.000 1.015 439 T CA -0.475 61.702 62.100 0.130 0.000 0.954 439 T CB -0.031 68.895 68.868 0.097 0.000 0.950 439 T HN 0.214 nan 8.240 nan 0.000 0.450 440 F N 2.509 122.389 119.950 -0.116 0.000 2.411 440 F HA 0.406 4.951 4.527 0.032 0.000 0.350 440 F C -0.015 175.718 175.800 -0.111 0.000 1.114 440 F CA -1.328 56.619 58.000 -0.089 0.000 1.135 440 F CB 0.613 39.475 39.000 -0.230 0.000 1.120 440 F HN 0.505 nan 8.300 nan 0.000 0.495 441 Y N 3.197 123.589 120.300 0.153 0.000 2.595 441 Y HA 0.421 4.990 4.550 0.031 0.000 0.336 441 Y C 0.110 176.107 175.900 0.161 0.000 0.996 441 Y CA -1.159 57.009 58.100 0.114 0.000 1.260 441 Y CB 0.576 39.069 38.460 0.056 0.000 1.108 441 Y HN 0.376 nan 8.280 nan 0.000 0.509 442 V N -0.324 119.724 119.914 0.224 0.000 2.785 442 V HA 0.657 4.795 4.120 0.030 0.000 0.300 442 V C -0.292 175.889 176.094 0.145 0.000 1.062 442 V CA -0.371 62.057 62.300 0.214 0.000 1.029 442 V CB 1.907 33.830 31.823 0.166 0.000 1.024 442 V HN 0.586 nan 8.190 nan 0.000 0.477 443 D N 0.839 121.318 120.400 0.131 0.000 2.706 443 D HA 0.636 5.294 4.640 0.030 0.000 0.225 443 D C -0.667 175.678 176.300 0.074 0.000 1.241 443 D CA 0.227 54.278 54.000 0.085 0.000 0.784 443 D CB 2.239 43.083 40.800 0.073 0.000 1.521 443 D HN 1.163 nan 8.370 nan 0.000 0.461 444 G N 0.094 108.929 108.800 0.058 0.000 2.701 444 G HA2 0.746 4.724 3.960 0.030 0.000 0.300 444 G HA3 0.746 4.724 3.960 0.030 0.000 0.300 444 G C -1.550 173.373 174.900 0.038 0.000 1.410 444 G CA -0.385 44.744 45.100 0.048 0.000 1.014 444 G HN 0.476 nan 8.290 nan 0.000 0.509 445 A N 0.334 123.172 122.820 0.031 0.000 2.393 445 A HA 1.010 5.348 4.320 0.030 0.000 0.306 445 A C -0.304 177.291 177.584 0.018 0.000 1.050 445 A CA -0.198 51.855 52.037 0.028 0.000 0.724 445 A CB 1.869 20.887 19.000 0.030 0.000 1.248 445 A HN 2.290 nan 8.150 nan 0.000 0.424 446 A N 2.109 124.937 122.820 0.014 0.000 2.465 446 A HA 0.593 4.931 4.320 0.030 0.000 0.292 446 A C -0.755 176.832 177.584 0.004 0.000 1.041 446 A CA -0.648 51.393 52.037 0.006 0.000 0.718 446 A CB 0.935 19.936 19.000 0.001 0.000 1.266 446 A HN 0.776 nan 8.150 nan 0.000 0.403 447 N N 1.633 120.335 118.700 0.003 0.000 2.406 447 N HA 0.002 4.760 4.740 0.030 0.000 0.269 447 N C 1.063 176.571 175.510 -0.002 0.000 1.210 447 N CA -0.015 53.036 53.050 0.001 0.000 0.966 447 N CB 0.456 38.943 38.487 0.001 0.000 1.293 447 N HN 0.657 nan 8.380 nan 0.000 0.491 448 R N 2.612 123.110 120.500 -0.004 0.000 2.185 448 R HA -0.171 4.187 4.340 0.030 0.000 0.247 448 R C 1.259 177.555 176.300 -0.007 0.000 1.159 448 R CA 1.697 57.792 56.100 -0.009 0.000 0.988 448 R CB 0.139 30.433 30.300 -0.010 0.000 0.871 448 R HN 0.672 nan 8.270 nan 0.000 0.458 449 E N -1.848 118.350 120.200 -0.005 0.000 2.033 449 E HA -0.090 4.278 4.350 0.030 0.000 0.189 449 E C 1.657 178.254 176.600 -0.003 0.000 0.979 449 E CA 1.638 58.036 56.400 -0.004 0.000 0.802 449 E CB -0.074 29.624 29.700 -0.003 0.000 0.763 449 E HN 0.495 nan 8.360 nan 0.000 0.449 450 T N -1.154 113.398 114.554 -0.003 0.000 3.113 450 T HA 0.038 4.406 4.350 0.030 0.000 0.256 450 T C 0.661 175.360 174.700 -0.002 0.000 1.131 450 T CA 0.114 62.213 62.100 -0.002 0.000 1.074 450 T CB -0.168 68.699 68.868 -0.001 0.000 0.944 450 T HN 0.072 nan 8.240 nan 0.000 0.516 451 K N 0.486 120.884 120.400 -0.004 0.000 3.020 451 K HA -0.123 4.215 4.320 0.030 0.000 0.266 451 K C -0.486 176.113 176.600 -0.002 0.000 1.067 451 K CA 0.162 56.447 56.287 -0.004 0.000 0.780 451 K CB -1.605 30.892 32.500 -0.005 0.000 1.220 451 K HN 0.362 nan 8.250 nan 0.000 0.483 452 L N 1.077 122.299 121.223 -0.001 0.000 2.280 452 L HA 0.528 4.886 4.340 0.030 0.000 0.287 452 L C 0.750 177.621 176.870 0.002 0.000 1.023 452 L CA 0.438 55.279 54.840 0.001 0.000 0.819 452 L CB 1.181 43.240 42.059 0.001 0.000 1.212 452 L HN 0.314 nan 8.230 nan 0.000 0.420 453 G N 4.331 113.134 108.800 0.004 0.000 2.798 453 G HA2 0.679 4.657 3.960 0.030 0.000 0.286 453 G HA3 0.679 4.657 3.960 0.030 0.000 0.286 453 G C -1.375 173.530 174.900 0.008 0.000 1.389 453 G CA -0.504 44.600 45.100 0.007 0.000 0.894 453 G HN 0.439 nan 8.290 nan 0.000 0.488 454 K N -0.967 119.440 120.400 0.010 0.000 2.469 454 K HA 0.740 5.078 4.320 0.030 0.000 0.254 454 K C -1.139 175.471 176.600 0.017 0.000 0.939 454 K CA -0.726 55.566 56.287 0.008 0.000 0.812 454 K CB 2.775 35.276 32.500 0.002 0.000 1.301 454 K HN 0.802 nan 8.250 nan 0.000 0.433 455 A N 0.911 123.741 122.820 0.017 0.000 2.488 455 A HA 0.892 5.230 4.320 0.030 0.000 0.298 455 A C -0.798 176.796 177.584 0.017 0.000 1.044 455 A CA -0.317 51.740 52.037 0.034 0.000 0.693 455 A CB 1.964 20.997 19.000 0.055 0.000 1.272 455 A HN 0.801 nan 8.150 nan 0.000 0.402 456 G N -0.227 108.593 108.800 0.033 0.000 2.561 456 G HA2 0.753 4.731 3.960 0.030 0.000 0.310 456 G HA3 0.753 4.731 3.960 0.030 0.000 0.310 456 G C -1.457 173.504 174.900 0.101 0.000 1.292 456 G CA 0.286 45.368 45.100 -0.030 0.000 0.811 456 G HN 2.113 nan 8.290 nan 0.000 0.482 457 Y N -2.661 117.700 120.300 0.100 0.000 2.689 457 Y HA 0.797 5.365 4.550 0.031 0.000 0.333 457 Y C -1.395 174.547 175.900 0.071 0.000 1.208 457 Y CA -1.870 56.310 58.100 0.133 0.000 1.055 457 Y CB 1.323 39.935 38.460 0.252 0.000 1.304 457 Y HN 0.724 nan 8.280 nan 0.000 0.455 458 V N 2.034 122.195 119.914 0.411 0.000 2.567 458 V HA 0.561 4.699 4.120 0.030 0.000 0.298 458 V C -0.203 175.978 176.094 0.145 0.000 1.047 458 V CA -0.143 62.285 62.300 0.213 0.000 0.880 458 V CB 1.541 33.405 31.823 0.069 0.000 1.009 458 V HN 1.150 nan 8.190 nan 0.000 0.429 459 T N 0.525 115.048 114.554 -0.052 0.000 2.881 459 T HA 0.252 4.620 4.350 0.030 0.000 0.278 459 T C 1.268 175.930 174.700 -0.064 0.000 0.982 459 T CA -0.194 61.777 62.100 -0.215 0.000 0.989 459 T CB 1.124 69.584 68.868 -0.680 0.000 1.058 459 T HN 0.661 nan 8.240 nan 0.000 0.529 460 N N 1.490 120.188 118.700 -0.004 0.000 2.289 460 N HA -0.164 4.594 4.740 0.030 0.000 0.184 460 N C 1.230 176.722 175.510 -0.030 0.000 1.016 460 N CA 0.875 53.933 53.050 0.014 0.000 0.872 460 N CB -0.474 38.054 38.487 0.069 0.000 0.973 460 N HN 0.694 nan 8.380 nan 0.000 0.433 461 R N -0.071 120.392 120.500 -0.061 0.000 2.363 461 R HA 0.195 4.553 4.340 0.030 0.000 0.236 461 R C 0.887 177.157 176.300 -0.049 0.000 0.966 461 R CA 0.404 56.473 56.100 -0.052 0.000 1.100 461 R CB -0.160 30.106 30.300 -0.057 0.000 1.125 461 R HN 0.405 nan 8.270 nan 0.000 0.514 462 G N 1.670 110.439 108.800 -0.052 0.000 2.212 462 G HA2 -0.375 3.603 3.960 0.030 0.000 0.266 462 G HA3 -0.375 3.603 3.960 0.030 0.000 0.266 462 G C 0.264 175.148 174.900 -0.026 0.000 0.978 462 G CA 0.153 45.231 45.100 -0.037 0.000 0.632 462 G HN 0.415 nan 8.290 nan 0.000 0.537 463 R N 1.243 121.721 120.500 -0.037 0.000 2.543 463 R HA 0.465 4.823 4.340 0.030 0.000 0.277 463 R C 0.598 176.954 176.300 0.093 0.000 1.074 463 R CA 0.629 56.739 56.100 0.018 0.000 1.076 463 R CB 0.170 30.470 30.300 -0.000 0.000 0.993 463 R HN 0.659 nan 8.270 nan 0.000 0.459 464 Q N 2.647 122.493 119.800 0.078 0.000 2.615 464 Q HA 0.539 4.898 4.340 0.030 0.000 0.298 464 Q C -1.585 174.259 176.000 -0.260 0.000 1.023 464 Q CA -1.236 54.540 55.803 -0.046 0.000 0.768 464 Q CB 2.463 31.168 28.738 -0.055 0.000 1.500 464 Q HN 0.520 nan 8.270 nan 0.000 0.441 465 K N 0.141 120.253 120.400 -0.480 0.000 2.653 465 K HA 0.450 4.788 4.320 0.030 0.000 0.274 465 K C -2.264 174.124 176.600 -0.354 0.000 0.974 465 K CA -0.494 55.531 56.287 -0.437 0.000 0.868 465 K CB 2.334 34.492 32.500 -0.570 0.000 1.408 465 K HN 0.520 nan 8.250 nan 0.000 0.397 466 V N 2.645 122.444 119.914 -0.192 0.000 2.655 466 V HA 0.423 4.561 4.120 0.030 0.000 0.301 466 V C -0.848 175.204 176.094 -0.070 0.000 1.082 466 V CA -0.892 61.338 62.300 -0.116 0.000 0.899 466 V CB 1.788 33.564 31.823 -0.078 0.000 1.014 466 V HN 0.518 nan 8.190 nan 0.000 0.429 467 V N 3.088 122.976 119.914 -0.043 0.000 2.581 467 V HA 0.623 4.761 4.120 0.030 0.000 0.303 467 V C 0.382 176.473 176.094 -0.005 0.000 1.041 467 V CA -0.510 61.780 62.300 -0.017 0.000 0.907 467 V CB 2.502 34.327 31.823 0.003 0.000 0.994 467 V HN 0.997 nan 8.190 nan 0.000 0.442 468 T N 3.620 118.174 114.554 -0.001 0.000 2.909 468 T HA 0.746 5.115 4.350 0.030 0.000 0.286 468 T C -0.545 174.160 174.700 0.008 0.000 1.002 468 T CA -0.554 61.547 62.100 0.002 0.000 1.074 468 T CB 0.977 69.845 68.868 -0.001 0.000 0.984 468 T HN 0.391 nan 8.240 nan 0.000 0.495 469 L N 3.069 124.297 121.223 0.009 0.000 2.406 469 L HA 0.413 4.771 4.340 0.030 0.000 0.270 469 L C 0.395 177.269 176.870 0.006 0.000 0.982 469 L CA -0.986 53.861 54.840 0.010 0.000 0.843 469 L CB 1.896 43.963 42.059 0.014 0.000 1.225 469 L HN 0.903 nan 8.230 nan 0.000 0.412 470 T N -1.643 112.914 114.554 0.006 0.000 2.771 470 T HA 0.334 4.702 4.350 0.030 0.000 0.291 470 T C 0.067 174.768 174.700 0.002 0.000 0.954 470 T CA -0.432 61.670 62.100 0.003 0.000 1.045 470 T CB 1.319 70.189 68.868 0.003 0.000 0.917 470 T HN 0.634 nan 8.240 nan 0.000 0.484 471 D N 0.745 121.145 120.400 -0.000 0.000 3.026 471 D HA -0.161 4.497 4.640 0.030 0.000 0.248 471 D C -0.266 176.032 176.300 -0.004 0.000 1.100 471 D CA 1.519 55.518 54.000 -0.002 0.000 0.855 471 D CB -1.063 39.736 40.800 -0.002 0.000 1.011 471 D HN 0.955 nan 8.370 nan 0.000 0.423 472 T N -0.550 114.001 114.554 -0.005 0.000 2.831 472 T HA 0.852 5.220 4.350 0.030 0.000 0.287 472 T C -0.046 174.645 174.700 -0.013 0.000 1.070 472 T CA 0.402 62.497 62.100 -0.008 0.000 1.010 472 T CB 1.640 70.507 68.868 -0.002 0.000 1.264 472 T HN 0.372 nan 8.240 nan 0.000 0.532 473 T N -1.065 113.476 114.554 -0.021 0.000 2.773 473 T HA 0.431 4.800 4.350 0.030 0.000 0.278 473 T C 1.027 175.706 174.700 -0.035 0.000 1.011 473 T CA -0.668 61.414 62.100 -0.031 0.000 1.014 473 T CB 1.064 69.904 68.868 -0.046 0.000 1.293 473 T HN 0.623 nan 8.240 nan 0.000 0.554 474 N N -0.026 118.646 118.700 -0.046 0.000 2.142 474 N HA -0.186 4.572 4.740 0.030 0.000 0.186 474 N C 2.105 177.577 175.510 -0.063 0.000 1.023 474 N CA 1.516 54.540 53.050 -0.043 0.000 0.852 474 N CB -0.060 38.402 38.487 -0.042 0.000 0.998 474 N HN 0.786 nan 8.380 nan 0.000 0.424 475 Q N 0.983 120.709 119.800 -0.124 0.000 2.079 475 Q HA -0.119 4.240 4.340 0.030 0.000 0.200 475 Q C 1.638 177.595 176.000 -0.072 0.000 0.974 475 Q CA 1.238 56.943 55.803 -0.163 0.000 0.840 475 Q CB -0.173 28.350 28.738 -0.358 0.000 0.898 475 Q HN 0.146 nan 8.270 nan 0.000 0.430 476 K N 0.447 120.813 120.400 -0.058 0.000 2.160 476 K HA -0.166 4.172 4.320 0.030 0.000 0.206 476 K C 2.257 178.861 176.600 0.005 0.000 1.047 476 K CA 1.977 58.250 56.287 -0.023 0.000 0.930 476 K CB -0.208 32.278 32.500 -0.022 0.000 0.720 476 K HN 0.628 nan 8.250 nan 0.000 0.450 477 T N -1.472 113.086 114.554 0.007 0.000 2.852 477 T HA -0.037 4.331 4.350 0.030 0.000 0.256 477 T C 1.666 176.395 174.700 0.047 0.000 1.038 477 T CA 0.523 62.641 62.100 0.029 0.000 1.141 477 T CB -0.160 68.722 68.868 0.023 0.000 0.869 477 T HN 0.213 nan 8.240 nan 0.000 0.439 478 E N 1.655 121.877 120.200 0.037 0.000 2.033 478 E HA -0.106 4.263 4.350 0.030 0.000 0.199 478 E C 2.216 178.864 176.600 0.079 0.000 1.011 478 E CA 1.517 57.953 56.400 0.059 0.000 0.815 478 E CB -0.533 29.198 29.700 0.053 0.000 0.755 478 E HN 0.429 nan 8.360 nan 0.000 0.451 479 L N 0.738 122.005 121.223 0.073 0.000 2.265 479 L HA -0.212 4.146 4.340 0.030 0.000 0.215 479 L C 2.657 179.587 176.870 0.100 0.000 1.117 479 L CA 0.731 55.622 54.840 0.085 0.000 0.782 479 L CB -0.262 41.840 42.059 0.072 0.000 0.914 479 L HN 0.148 nan 8.230 nan 0.000 0.441 480 Q N 0.500 120.358 119.800 0.097 0.000 2.049 480 Q HA -0.114 4.244 4.340 0.030 0.000 0.198 480 Q C 2.299 178.401 176.000 0.169 0.000 0.971 480 Q CA 1.906 57.794 55.803 0.141 0.000 0.833 480 Q CB -0.298 28.502 28.738 0.103 0.000 0.896 480 Q HN 0.376 nan 8.270 nan 0.000 0.434 481 A N 0.449 123.350 122.820 0.134 0.000 1.958 481 A HA -0.219 4.120 4.320 0.030 0.000 0.221 481 A C 2.131 179.816 177.584 0.168 0.000 1.178 481 A CA 1.836 53.967 52.037 0.156 0.000 0.642 481 A CB -0.901 18.179 19.000 0.133 0.000 0.816 481 A HN 0.510 nan 8.150 nan 0.000 0.453 482 I N -2.510 118.139 120.570 0.131 0.000 2.286 482 I HA -0.198 3.990 4.170 0.030 0.000 0.245 482 I C 2.446 178.620 176.117 0.094 0.000 1.104 482 I CA 1.412 62.764 61.300 0.087 0.000 1.397 482 I CB -0.460 37.585 38.000 0.075 0.000 1.072 482 I HN 0.486 nan 8.210 nan 0.000 0.417 483 Y N 2.099 122.400 120.300 0.002 0.000 2.097 483 Y HA -0.259 4.308 4.550 0.029 0.000 0.282 483 Y C 2.310 178.207 175.900 -0.005 0.000 1.152 483 Y CA 1.559 59.651 58.100 -0.014 0.000 1.136 483 Y CB -0.684 37.778 38.460 0.003 0.000 0.975 483 Y HN 0.004 nan 8.280 nan 0.000 0.498 484 L N -0.202 121.011 121.223 -0.017 0.000 2.013 484 L HA -0.301 4.057 4.340 0.030 0.000 0.212 484 L C 2.810 179.654 176.870 -0.043 0.000 1.073 484 L CA 1.492 56.312 54.840 -0.034 0.000 0.753 484 L CB -1.240 40.937 42.059 0.196 0.000 0.890 484 L HN 0.310 nan 8.230 nan 0.000 0.432 485 A N 0.230 123.011 122.820 -0.066 0.000 1.892 485 A HA -0.206 4.132 4.320 0.030 0.000 0.218 485 A C 2.270 179.404 177.584 -0.749 0.000 1.188 485 A CA 1.832 53.540 52.037 -0.549 0.000 0.631 485 A CB -0.848 17.887 19.000 -0.443 0.000 0.822 485 A HN 0.389 nan 8.150 nan 0.000 0.447 486 L N -1.006 119.955 121.223 -0.436 0.000 2.046 486 L HA -0.253 4.105 4.340 0.030 0.000 0.208 486 L C 2.933 179.608 176.870 -0.325 0.000 1.077 486 L CA 1.568 56.193 54.840 -0.359 0.000 0.747 486 L CB -0.684 41.260 42.059 -0.192 0.000 0.896 486 L HN 0.497 nan 8.230 nan 0.000 0.432 487 Q N 0.051 119.637 119.800 -0.358 0.000 2.002 487 Q HA -0.219 4.139 4.340 0.030 0.000 0.204 487 Q C 1.616 177.513 176.000 -0.172 0.000 0.988 487 Q CA 1.762 57.379 55.803 -0.310 0.000 0.843 487 Q CB -0.154 28.323 28.738 -0.435 0.000 0.908 487 Q HN 0.487 nan 8.270 nan 0.000 0.420 488 D N 0.421 120.750 120.400 -0.118 0.000 2.363 488 D HA -0.027 4.631 4.640 0.030 0.000 0.220 488 D C 0.694 177.015 176.300 0.034 0.000 0.994 488 D CA 0.402 54.416 54.000 0.024 0.000 0.890 488 D CB 0.001 40.938 40.800 0.228 0.000 0.906 488 D HN 0.158 nan 8.370 nan 0.000 0.530 489 S N -0.703 114.900 115.700 -0.163 0.000 2.707 489 S HA 0.617 5.105 4.470 0.030 0.000 0.276 489 S C 0.886 175.460 174.600 -0.044 0.000 1.179 489 S CA -0.630 57.514 58.200 -0.094 0.000 0.992 489 S CB 1.721 64.598 63.200 -0.538 0.000 1.030 489 S HN 0.081 nan 8.310 nan 0.000 0.554 490 G N -0.424 108.384 108.800 0.014 0.000 2.504 490 G HA2 0.386 4.364 3.960 0.030 0.000 0.257 490 G HA3 0.386 4.364 3.960 0.030 0.000 0.257 490 G C 0.280 175.172 174.900 -0.014 0.000 1.451 490 G CA -0.699 44.407 45.100 0.011 0.000 1.059 490 G HN 0.533 nan 8.290 nan 0.000 0.550 491 L N -0.060 121.164 121.223 0.003 0.000 2.551 491 L HA 0.220 4.578 4.340 0.030 0.000 0.228 491 L C 0.888 177.761 176.870 0.006 0.000 1.153 491 L CA 0.836 55.678 54.840 0.003 0.000 0.851 491 L CB -0.968 41.099 42.059 0.014 0.000 0.959 491 L HN 0.467 nan 8.230 nan 0.000 0.451 492 E N -1.213 118.992 120.200 0.009 0.000 2.274 492 E HA 0.582 4.950 4.350 0.030 0.000 0.269 492 E C -1.287 175.327 176.600 0.024 0.000 0.891 492 E CA -0.368 56.045 56.400 0.021 0.000 0.784 492 E CB 2.454 32.174 29.700 0.033 0.000 1.225 492 E HN -0.162 nan 8.360 nan 0.000 0.412 493 V N 0.719 120.638 119.914 0.008 0.000 3.102 493 V HA 0.575 4.713 4.120 0.030 0.000 0.312 493 V C -0.528 175.602 176.094 0.060 0.000 1.135 493 V CA -1.187 61.118 62.300 0.007 0.000 1.022 493 V CB 2.281 33.994 31.823 -0.183 0.000 1.056 493 V HN 0.563 nan 8.190 nan 0.000 0.436 494 N N 1.481 120.241 118.700 0.100 0.000 2.314 494 N HA 0.728 5.486 4.740 0.030 0.000 0.294 494 N C -1.386 174.142 175.510 0.030 0.000 1.029 494 N CA -0.268 52.856 53.050 0.122 0.000 0.845 494 N CB 2.399 40.976 38.487 0.151 0.000 1.321 494 N HN 0.690 nan 8.380 nan 0.000 0.481 495 I N 1.509 122.040 120.570 -0.066 0.000 2.468 495 I HA 0.259 4.447 4.170 0.030 0.000 0.285 495 I C -0.317 175.696 176.117 -0.174 0.000 1.039 495 I CA -1.088 60.148 61.300 -0.108 0.000 1.074 495 I CB 2.284 40.214 38.000 -0.118 0.000 1.228 495 I HN 0.083 nan 8.210 nan 0.000 0.436 496 V N 5.022 124.793 119.914 -0.238 0.000 2.483 496 V HA 0.820 4.958 4.120 0.030 0.000 0.295 496 V C -0.528 175.485 176.094 -0.135 0.000 1.035 496 V CA 0.304 62.457 62.300 -0.246 0.000 0.896 496 V CB 1.873 33.449 31.823 -0.413 0.000 0.986 496 V HN 0.868 nan 8.190 nan 0.000 0.447 497 T N 2.597 117.089 114.554 -0.103 0.000 2.868 497 T HA 0.488 4.856 4.350 0.030 0.000 0.306 497 T C -0.385 174.218 174.700 -0.161 0.000 1.224 497 T CA 0.221 62.292 62.100 -0.048 0.000 1.012 497 T CB 1.879 70.775 68.868 0.048 0.000 1.221 497 T HN 0.993 nan 8.240 nan 0.000 0.499 498 D N 0.597 120.924 120.400 -0.122 0.000 2.402 498 D HA 0.247 4.905 4.640 0.030 0.000 0.216 498 D C 0.363 176.804 176.300 0.235 0.000 1.128 498 D CA -0.284 53.574 54.000 -0.236 0.000 0.833 498 D CB 0.361 41.019 40.800 -0.238 0.000 0.971 498 D HN 0.284 nan 8.370 nan 0.000 0.503 499 S N 0.493 116.382 115.700 0.315 0.000 2.430 499 S HA 0.042 4.530 4.470 0.030 0.000 0.282 499 S C 1.101 175.930 174.600 0.383 0.000 1.186 499 S CA -0.449 57.940 58.200 0.316 0.000 1.060 499 S CB 1.063 64.391 63.200 0.213 0.000 0.966 499 S HN 0.173 nan 8.310 nan 0.000 0.501 500 Q N 4.293 124.256 119.800 0.271 0.000 2.226 500 Q HA -0.103 4.255 4.340 0.030 0.000 0.204 500 Q C 0.855 176.860 176.000 0.009 0.000 0.975 500 Q CA 1.790 57.574 55.803 -0.031 0.000 0.866 500 Q CB -0.280 28.445 28.738 -0.021 0.000 0.915 500 Q HN 0.925 nan 8.270 nan 0.000 0.440 501 Y N -0.667 119.609 120.300 -0.041 0.000 2.293 501 Y HA -0.055 4.513 4.550 0.030 0.000 0.291 501 Y C 2.061 177.941 175.900 -0.034 0.000 1.137 501 Y CA 0.969 59.038 58.100 -0.052 0.000 1.202 501 Y CB -0.503 37.938 38.460 -0.032 0.000 0.990 501 Y HN 0.239 nan 8.280 nan 0.000 0.537 502 A N -0.716 122.178 122.820 0.123 0.000 1.930 502 A HA -0.164 4.174 4.320 0.030 0.000 0.217 502 A C 2.140 179.721 177.584 -0.005 0.000 1.175 502 A CA 1.319 53.401 52.037 0.076 0.000 0.627 502 A CB -1.064 18.017 19.000 0.136 0.000 0.815 502 A HN 0.391 nan 8.150 nan 0.000 0.443 503 L N 0.173 121.350 121.223 -0.078 0.000 2.137 503 L HA -0.157 4.201 4.340 0.030 0.000 0.213 503 L C 2.378 179.136 176.870 -0.186 0.000 1.085 503 L CA 1.933 56.649 54.840 -0.206 0.000 0.760 503 L CB -0.804 40.953 42.059 -0.503 0.000 0.893 503 L HN 0.374 nan 8.230 nan 0.000 0.434 504 G N -0.758 107.922 108.800 -0.199 0.000 2.424 504 G HA2 -0.238 3.740 3.960 0.030 0.000 0.214 504 G HA3 -0.238 3.740 3.960 0.030 0.000 0.214 504 G C 1.573 176.444 174.900 -0.048 0.000 1.202 504 G CA 0.841 45.825 45.100 -0.192 0.000 0.793 504 G HN 0.410 nan 8.290 nan 0.000 0.534 505 I N 0.932 121.494 120.570 -0.014 0.000 2.381 505 I HA -0.240 3.948 4.170 0.030 0.000 0.255 505 I C 2.526 178.721 176.117 0.130 0.000 1.140 505 I CA 0.843 62.200 61.300 0.095 0.000 1.404 505 I CB -0.156 37.892 38.000 0.080 0.000 1.075 505 I HN 0.209 nan 8.210 nan 0.000 0.433 506 I N -0.407 120.201 120.570 0.064 0.000 2.141 506 I HA -0.281 3.907 4.170 0.030 0.000 0.236 506 I C 2.639 178.802 176.117 0.076 0.000 1.071 506 I CA 1.326 62.667 61.300 0.067 0.000 1.345 506 I CB -0.494 37.512 38.000 0.011 0.000 1.066 506 I HN 0.216 nan 8.210 nan 0.000 0.406 507 Q N 0.745 120.555 119.800 0.017 0.000 2.152 507 Q HA -0.237 4.121 4.340 0.030 0.000 0.206 507 Q C 1.997 178.112 176.000 0.191 0.000 0.985 507 Q CA 2.110 57.926 55.803 0.022 0.000 0.863 507 Q CB -0.023 28.619 28.738 -0.160 0.000 0.904 507 Q HN 0.592 nan 8.270 nan 0.000 0.422 508 A N -0.715 122.242 122.820 0.228 0.000 2.140 508 A HA 0.050 4.388 4.320 0.030 0.000 0.209 508 A C 0.387 178.171 177.584 0.333 0.000 1.181 508 A CA 0.084 52.367 52.037 0.411 0.000 0.824 508 A CB 0.276 19.490 19.000 0.356 0.000 0.879 508 A HN 0.463 nan 8.150 nan 0.000 0.480 509 Q N -0.081 119.873 119.800 0.257 0.000 2.417 509 Q HA -0.136 4.222 4.340 0.030 0.000 0.350 509 Q C -2.151 173.984 176.000 0.226 0.000 1.364 509 Q CA 0.362 56.304 55.803 0.232 0.000 1.024 509 Q CB -1.425 27.324 28.738 0.018 0.000 1.235 509 Q HN 0.579 nan 8.270 nan 0.000 0.388 510 P HA -0.045 nan 4.420 nan 0.000 0.270 510 P C -0.121 177.369 177.300 0.316 0.000 1.223 510 P CA 0.498 63.758 63.100 0.266 0.000 0.785 510 P CB 0.608 32.467 31.700 0.264 0.000 0.923 511 D N -1.315 119.205 120.400 0.201 0.000 2.620 511 D HA 0.126 4.784 4.640 0.030 0.000 0.260 511 D C -0.096 176.178 176.300 -0.043 0.000 1.367 511 D CA -0.319 53.751 54.000 0.117 0.000 0.805 511 D CB 0.021 40.871 40.800 0.083 0.000 1.096 511 D HN 0.500 nan 8.370 nan 0.000 0.488 512 Q N -1.763 118.054 119.800 0.029 0.000 2.574 512 Q HA 0.529 4.887 4.340 0.030 0.000 0.265 512 Q C -1.866 174.171 176.000 0.061 0.000 0.975 512 Q CA -0.841 54.962 55.803 -0.000 0.000 0.923 512 Q CB 1.263 29.991 28.738 -0.017 0.000 1.518 512 Q HN -0.018 nan 8.270 nan 0.000 0.401 513 S N -0.199 115.526 115.700 0.041 0.000 2.752 513 S HA 0.315 4.803 4.470 0.030 0.000 0.284 513 S C -0.198 174.426 174.600 0.040 0.000 1.189 513 S CA 0.180 58.422 58.200 0.070 0.000 0.835 513 S CB 1.649 64.893 63.200 0.073 0.000 1.192 513 S HN 0.828 nan 8.310 nan 0.000 0.506 514 E N 0.269 120.497 120.200 0.047 0.000 2.127 514 E HA 0.135 4.504 4.350 0.030 0.000 0.191 514 E C 0.563 177.169 176.600 0.010 0.000 0.964 514 E CA 0.550 56.969 56.400 0.030 0.000 0.832 514 E CB -0.276 29.449 29.700 0.042 0.000 0.790 514 E HN 0.421 nan 8.360 nan 0.000 0.465 515 S N 0.566 116.270 115.700 0.007 0.000 2.528 515 S HA 0.092 4.580 4.470 0.030 0.000 0.277 515 S C 0.708 175.287 174.600 -0.035 0.000 1.297 515 S CA -0.446 57.747 58.200 -0.011 0.000 1.052 515 S CB 1.756 64.952 63.200 -0.006 0.000 0.917 515 S HN 0.231 nan 8.310 nan 0.000 0.492 516 E N 2.823 122.993 120.200 -0.051 0.000 2.110 516 E HA -0.091 4.277 4.350 0.030 0.000 0.193 516 E C 1.638 178.161 176.600 -0.128 0.000 0.988 516 E CA 1.195 57.548 56.400 -0.079 0.000 0.804 516 E CB -0.261 29.395 29.700 -0.075 0.000 0.745 516 E HN 0.822 nan 8.360 nan 0.000 0.458 517 L N -0.444 120.705 121.223 -0.124 0.000 1.971 517 L HA -0.259 4.099 4.340 0.030 0.000 0.215 517 L C 2.244 179.010 176.870 -0.174 0.000 1.072 517 L CA 1.535 56.268 54.840 -0.178 0.000 0.758 517 L CB -0.453 41.544 42.059 -0.103 0.000 0.889 517 L HN 0.131 nan 8.230 nan 0.000 0.433 518 V N 0.423 120.288 119.914 -0.081 0.000 2.231 518 V HA -0.379 3.760 4.120 0.030 0.000 0.248 518 V C 2.318 178.368 176.094 -0.073 0.000 1.054 518 V CA 2.244 64.517 62.300 -0.045 0.000 1.015 518 V CB -0.857 30.967 31.823 0.003 0.000 0.638 518 V HN 0.553 nan 8.190 nan 0.000 0.444 519 N N -0.052 118.603 118.700 -0.075 0.000 2.069 519 N HA -0.281 4.477 4.740 0.030 0.000 0.196 519 N C 1.861 177.299 175.510 -0.121 0.000 1.024 519 N CA 2.175 55.174 53.050 -0.085 0.000 0.869 519 N CB -0.426 38.011 38.487 -0.083 0.000 1.035 519 N HN 0.662 nan 8.380 nan 0.000 0.434 520 Q N 0.456 120.133 119.800 -0.205 0.000 2.030 520 Q HA -0.073 4.286 4.340 0.030 0.000 0.204 520 Q C 2.332 178.255 176.000 -0.128 0.000 0.986 520 Q CA 1.149 56.784 55.803 -0.280 0.000 0.843 520 Q CB -0.246 28.018 28.738 -0.789 0.000 0.904 520 Q HN 0.408 nan 8.270 nan 0.000 0.420 521 I N 0.786 121.270 120.570 -0.143 0.000 2.145 521 I HA -0.341 3.847 4.170 0.030 0.000 0.244 521 I C 2.290 178.375 176.117 -0.053 0.000 1.075 521 I CA 1.369 62.680 61.300 0.019 0.000 1.332 521 I CB -0.382 37.616 38.000 -0.003 0.000 1.033 521 I HN 0.245 nan 8.210 nan 0.000 0.410 522 I N 0.248 120.764 120.570 -0.090 0.000 2.264 522 I HA -0.271 3.917 4.170 0.030 0.000 0.248 522 I C 2.533 178.573 176.117 -0.129 0.000 1.111 522 I CA 1.166 62.380 61.300 -0.143 0.000 1.382 522 I CB -0.462 37.501 38.000 -0.061 0.000 1.060 522 I HN 0.249 nan 8.210 nan 0.000 0.418 523 E N 0.607 120.768 120.200 -0.066 0.000 2.051 523 E HA -0.215 4.153 4.350 0.030 0.000 0.192 523 E C 2.206 178.800 176.600 -0.009 0.000 0.991 523 E CA 1.118 57.500 56.400 -0.029 0.000 0.799 523 E CB -0.416 29.282 29.700 -0.003 0.000 0.748 523 E HN 0.494 nan 8.360 nan 0.000 0.449 524 Q N 0.400 120.210 119.800 0.017 0.000 2.084 524 Q HA -0.045 4.313 4.340 0.030 0.000 0.202 524 Q C 2.607 178.565 176.000 -0.071 0.000 0.978 524 Q CA 0.671 56.472 55.803 -0.004 0.000 0.844 524 Q CB -0.484 28.265 28.738 0.019 0.000 0.898 524 Q HN 0.328 nan 8.270 nan 0.000 0.426 525 L N 0.260 121.392 121.223 -0.153 0.000 1.971 525 L HA -0.231 4.127 4.340 0.030 0.000 0.215 525 L C 2.464 179.218 176.870 -0.193 0.000 1.072 525 L CA 1.260 55.923 54.840 -0.295 0.000 0.758 525 L CB -0.617 41.026 42.059 -0.693 0.000 0.889 525 L HN 0.195 nan 8.230 nan 0.000 0.433 526 I N -0.391 120.102 120.570 -0.127 0.000 2.248 526 I HA -0.338 3.850 4.170 0.030 0.000 0.248 526 I C 2.529 178.712 176.117 0.110 0.000 1.107 526 I CA 1.467 62.834 61.300 0.112 0.000 1.373 526 I CB -0.349 37.759 38.000 0.180 0.000 1.055 526 I HN 0.287 nan 8.210 nan 0.000 0.418 527 K N 0.690 121.119 120.400 0.049 0.000 2.007 527 K HA -0.050 4.288 4.320 0.030 0.000 0.206 527 K C 0.734 177.357 176.600 0.037 0.000 1.047 527 K CA 0.626 56.941 56.287 0.047 0.000 0.937 527 K CB -0.068 32.447 32.500 0.024 0.000 0.718 527 K HN 0.121 nan 8.250 nan 0.000 0.438 528 K N 1.649 122.056 120.400 0.011 0.000 2.494 528 K HA -0.098 4.240 4.320 0.030 0.000 0.273 528 K C 0.861 177.485 176.600 0.040 0.000 0.970 528 K CA 0.727 57.019 56.287 0.008 0.000 0.963 528 K CB 0.396 32.885 32.500 -0.019 0.000 0.913 528 K HN 0.240 nan 8.250 nan 0.000 0.502 529 E N 1.050 121.272 120.200 0.037 0.000 2.190 529 E HA -0.032 4.336 4.350 0.030 0.000 0.191 529 E C -0.267 176.368 176.600 0.059 0.000 0.978 529 E CA 0.943 57.372 56.400 0.049 0.000 0.839 529 E CB 0.355 30.077 29.700 0.037 0.000 0.787 529 E HN 0.317 nan 8.360 nan 0.000 0.473 530 K N 0.477 120.908 120.400 0.053 0.000 2.550 530 K HA 0.425 4.763 4.320 0.030 0.000 0.252 530 K C -1.629 175.010 176.600 0.065 0.000 0.943 530 K CA -0.403 55.924 56.287 0.067 0.000 0.806 530 K CB 3.075 35.608 32.500 0.056 0.000 1.289 530 K HN -0.206 nan 8.250 nan 0.000 0.435 531 V N 2.935 122.906 119.914 0.096 0.000 2.686 531 V HA 0.353 4.491 4.120 0.030 0.000 0.306 531 V C -1.663 174.532 176.094 0.168 0.000 1.065 531 V CA -0.885 61.465 62.300 0.084 0.000 0.894 531 V CB 1.821 33.663 31.823 0.032 0.000 1.004 531 V HN 0.712 nan 8.190 nan 0.000 0.424 532 Y N 5.489 125.794 120.300 0.009 0.000 2.326 532 Y HA 0.638 5.205 4.550 0.029 0.000 0.331 532 Y C -1.084 174.823 175.900 0.010 0.000 0.962 532 Y CA -1.142 56.969 58.100 0.019 0.000 1.167 532 Y CB 1.388 39.855 38.460 0.012 0.000 1.148 532 Y HN 0.490 nan 8.280 nan 0.000 0.463 533 L N 6.139 127.066 121.223 -0.493 0.000 2.275 533 L HA 0.776 5.134 4.340 0.030 0.000 0.288 533 L C -0.753 175.741 176.870 -0.627 0.000 1.046 533 L CA -0.354 54.240 54.840 -0.410 0.000 0.805 533 L CB 0.711 42.678 42.059 -0.153 0.000 1.193 533 L HN 0.871 nan 8.230 nan 0.000 0.426 534 A N 5.320 127.884 122.820 -0.428 0.000 2.353 534 A HA 0.472 4.810 4.320 0.030 0.000 0.299 534 A C -1.529 176.020 177.584 -0.059 0.000 1.089 534 A CA -0.550 51.321 52.037 -0.278 0.000 0.736 534 A CB 0.801 19.641 19.000 -0.266 0.000 1.195 534 A HN 0.759 nan 8.150 nan 0.000 0.447 535 W N 3.297 124.524 121.300 -0.122 0.000 2.448 535 W HA 0.624 5.302 4.660 0.030 0.000 0.339 535 W C -0.731 175.762 176.519 -0.043 0.000 1.124 535 W CA -0.141 57.161 57.345 -0.072 0.000 1.262 535 W CB 1.710 31.135 29.460 -0.058 0.000 1.251 535 W HN 0.985 nan 8.180 nan 0.000 0.597 536 V N 3.300 122.413 119.914 -1.335 0.000 2.891 536 V HA 0.545 4.683 4.120 0.030 0.000 0.304 536 V C -2.545 172.571 176.094 -1.631 0.000 1.171 536 V CA -2.538 59.062 62.300 -1.165 0.000 0.943 536 V CB 1.408 32.934 31.823 -0.495 0.000 1.037 536 V HN 0.591 nan 8.190 nan 0.000 0.427 537 P HA 0.234 nan 4.420 nan 0.000 0.266 537 P C -0.026 177.023 177.300 -0.418 0.000 1.193 537 P CA 0.667 63.351 63.100 -0.694 0.000 0.770 537 P CB 0.922 32.481 31.700 -0.235 0.000 0.836 538 A N 2.857 125.489 122.820 -0.314 0.000 2.252 538 A HA 0.667 5.005 4.320 0.030 0.000 0.305 538 A C -0.136 177.247 177.584 -0.335 0.000 1.097 538 A CA -0.050 51.752 52.037 -0.391 0.000 0.849 538 A CB -0.113 18.545 19.000 -0.570 0.000 1.142 538 A HN 0.811 nan 8.150 nan 0.000 0.499 539 H N 0.000 119.059 119.070 -0.018 0.000 2.539 539 H HA 0.000 4.574 4.556 0.030 0.000 0.296 539 H CA 0.000 56.043 56.048 -0.008 0.000 1.023 539 H CB 0.000 29.765 29.762 0.005 0.000 1.292 539 H HN 0.000 nan 8.280 nan 0.000 0.496