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 1c0u_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK 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 0.000 177.339 177.300 0.065 0.000 1.155 1 P CA 0.000 63.126 63.100 0.044 0.000 0.800 1 P CB 0.000 31.727 31.700 0.045 0.000 0.726 2 I N -2.304 118.305 120.570 0.065 0.000 3.956 2 I HA 0.363 4.549 4.170 0.026 0.000 0.166 2 I C 0.280 176.459 176.117 0.103 0.000 1.012 2 I CA 0.120 61.471 61.300 0.086 0.000 1.401 2 I CB -0.543 37.500 38.000 0.072 0.000 1.262 2 I HN -0.190 nan 8.210 nan 0.000 0.434 3 S N -0.259 115.504 115.700 0.104 0.000 2.595 3 S HA 0.422 4.907 4.470 0.026 0.000 0.270 3 S C -2.430 172.247 174.600 0.128 0.000 1.145 3 S CA -0.497 57.786 58.200 0.138 0.000 0.825 3 S CB 2.052 65.364 63.200 0.185 0.000 1.107 3 S HN 0.606 nan 8.310 nan 0.000 0.461 4 P HA 0.462 nan 4.420 nan 0.000 0.288 4 P C -0.854 176.616 177.300 0.283 0.000 1.682 4 P CA -0.024 63.163 63.100 0.144 0.000 1.270 4 P CB -0.146 31.567 31.700 0.022 0.000 1.596 5 I N 0.335 121.074 120.570 0.281 0.000 2.396 5 I HA 0.225 4.411 4.170 0.026 0.000 0.292 5 I C 0.919 177.121 176.117 0.142 0.000 0.999 5 I CA -0.814 60.628 61.300 0.236 0.000 1.310 5 I CB 1.201 39.296 38.000 0.158 0.000 1.404 5 I HN -0.053 nan 8.210 nan 0.000 0.496 6 E N 4.537 124.804 120.200 0.112 0.000 2.360 6 E HA 0.101 4.467 4.350 0.026 0.000 0.269 6 E C -0.265 176.375 176.600 0.067 0.000 1.022 6 E CA -0.504 55.946 56.400 0.083 0.000 0.887 6 E CB 0.812 30.554 29.700 0.070 0.000 0.990 6 E HN 0.667 nan 8.360 nan 0.000 0.426 7 T N 0.308 114.903 114.554 0.070 0.000 2.868 7 T HA 0.297 4.663 4.350 0.026 0.000 0.292 7 T C 0.094 174.835 174.700 0.068 0.000 1.028 7 T CA -0.989 61.154 62.100 0.071 0.000 1.059 7 T CB 1.190 70.103 68.868 0.075 0.000 0.991 7 T HN 0.182 nan 8.240 nan 0.000 0.531 8 V N 4.151 124.112 119.914 0.078 0.000 2.439 8 V HA 0.369 4.505 4.120 0.026 0.000 0.282 8 V C -1.860 174.295 176.094 0.102 0.000 1.039 8 V CA -2.075 60.276 62.300 0.086 0.000 0.913 8 V CB 1.153 33.034 31.823 0.097 0.000 0.983 8 V HN 0.859 nan 8.190 nan 0.000 0.460 9 P HA 0.126 nan 4.420 nan 0.000 0.269 9 P C -0.711 176.644 177.300 0.092 0.000 1.252 9 P CA 0.219 63.370 63.100 0.085 0.000 0.780 9 P CB 0.788 32.525 31.700 0.062 0.000 0.829 10 V N 5.547 125.517 119.914 0.094 0.000 2.483 10 V HA 0.382 4.518 4.120 0.026 0.000 0.295 10 V C 0.537 176.655 176.094 0.040 0.000 1.035 10 V CA -0.397 61.920 62.300 0.029 0.000 0.896 10 V CB 1.790 33.556 31.823 -0.095 0.000 0.986 10 V HN 0.443 nan 8.190 nan 0.000 0.447 11 K N 3.871 124.264 120.400 -0.012 0.000 2.385 11 K HA 0.655 4.991 4.320 0.026 0.000 0.248 11 K C -1.093 175.553 176.600 0.077 0.000 0.955 11 K CA -0.856 55.478 56.287 0.079 0.000 0.816 11 K CB 2.599 35.114 32.500 0.025 0.000 1.250 11 K HN 0.427 nan 8.250 nan 0.000 0.434 12 L N 1.919 123.220 121.223 0.130 0.000 2.464 12 L HA 0.181 4.537 4.340 0.026 0.000 0.264 12 L C 0.701 177.573 176.870 0.004 0.000 1.199 12 L CA -0.174 54.706 54.840 0.065 0.000 0.818 12 L CB 0.268 42.276 42.059 -0.085 0.000 1.102 12 L HN 0.469 nan 8.230 nan 0.000 0.473 13 K N 1.781 122.179 120.400 -0.004 0.000 2.455 13 K HA 0.018 4.353 4.320 0.026 0.000 0.269 13 K C -2.209 174.382 176.600 -0.015 0.000 0.972 13 K CA -1.031 55.244 56.287 -0.020 0.000 0.938 13 K CB 0.170 32.666 32.500 -0.007 0.000 0.931 13 K HN 0.257 nan 8.250 nan 0.000 0.507 14 P HA -0.076 nan 4.420 nan 0.000 0.255 14 P C 0.183 177.484 177.300 0.001 0.000 1.173 14 P CA 1.203 64.299 63.100 -0.006 0.000 0.780 14 P CB 0.235 31.931 31.700 -0.008 0.000 0.758 15 G N 2.676 111.480 108.800 0.006 0.000 2.196 15 G HA2 -0.337 3.639 3.960 0.026 0.000 0.268 15 G HA3 -0.337 3.639 3.960 0.026 0.000 0.268 15 G C 0.396 175.303 174.900 0.012 0.000 0.975 15 G CA 0.233 45.341 45.100 0.012 0.000 0.648 15 G HN 0.421 nan 8.290 nan 0.000 0.538 16 M N -0.414 119.186 119.600 0.001 0.000 2.114 16 M HA 0.574 5.070 4.480 0.026 0.000 0.280 16 M C 0.391 176.678 176.300 -0.022 0.000 1.209 16 M CA 0.004 55.303 55.300 -0.001 0.000 1.044 16 M CB 0.449 33.047 32.600 -0.004 0.000 1.404 16 M HN 0.198 nan 8.290 nan 0.000 0.499 17 D N -1.172 119.213 120.400 -0.025 0.000 2.592 17 D HA 0.499 5.154 4.640 0.026 0.000 0.263 17 D C -0.601 175.614 176.300 -0.141 0.000 1.132 17 D CA -0.284 53.686 54.000 -0.050 0.000 0.996 17 D CB 1.453 42.312 40.800 0.099 0.000 1.442 17 D HN 0.653 nan 8.370 nan 0.000 0.486 18 G N 0.514 109.127 108.800 -0.313 0.000 2.630 18 G HA2 0.334 4.310 3.960 0.026 0.000 0.236 18 G HA3 0.334 4.310 3.960 0.026 0.000 0.236 18 G C -2.152 172.802 174.900 0.089 0.000 1.248 18 G CA -0.724 44.088 45.100 -0.479 0.000 0.844 18 G HN 0.434 nan 8.290 nan 0.000 0.588 19 P HA 0.245 nan 4.420 nan 0.000 0.274 19 P C -0.878 176.589 177.300 0.279 0.000 1.231 19 P CA -0.136 63.078 63.100 0.191 0.000 0.790 19 P CB 1.118 32.913 31.700 0.159 0.000 0.951 20 K N 1.104 121.611 120.400 0.179 0.000 3.157 20 K HA 0.303 4.639 4.320 0.026 0.000 0.173 20 K C -0.996 175.652 176.600 0.080 0.000 1.127 20 K CA -0.491 55.872 56.287 0.126 0.000 0.849 20 K CB 1.448 34.001 32.500 0.089 0.000 1.038 20 K HN 0.192 nan 8.250 nan 0.000 0.603 21 V N 1.624 121.587 119.914 0.082 0.000 2.370 21 V HA 0.279 4.414 4.120 0.026 0.000 0.283 21 V C -0.138 175.984 176.094 0.047 0.000 1.023 21 V CA -0.658 61.681 62.300 0.065 0.000 0.857 21 V CB 1.205 33.079 31.823 0.086 0.000 0.985 21 V HN 0.481 nan 8.190 nan 0.000 0.443 22 K N 4.705 125.120 120.400 0.025 0.000 2.527 22 K HA 0.033 4.369 4.320 0.026 0.000 0.278 22 K C 0.097 176.716 176.600 0.032 0.000 0.981 22 K CA 0.002 56.294 56.287 0.009 0.000 1.009 22 K CB 0.523 33.011 32.500 -0.021 0.000 0.895 22 K HN 0.853 nan 8.250 nan 0.000 0.493 23 Q N 3.727 123.548 119.800 0.035 0.000 2.332 23 Q HA -0.003 4.352 4.340 0.026 0.000 0.263 23 Q C -1.235 174.846 176.000 0.135 0.000 0.979 23 Q CA -0.087 55.761 55.803 0.076 0.000 0.885 23 Q CB 0.545 29.315 28.738 0.054 0.000 1.218 23 Q HN 0.537 nan 8.270 nan 0.000 0.405 24 W N 6.732 128.056 121.300 0.040 0.000 2.190 24 W HA 0.258 4.934 4.660 0.026 0.000 0.330 24 W C -2.250 174.320 176.519 0.084 0.000 1.299 24 W CA -1.833 55.590 57.345 0.129 0.000 1.215 24 W CB 0.809 30.488 29.460 0.365 0.000 1.147 24 W HN 0.596 nan 8.180 nan 0.000 0.563 25 P HA 0.319 nan 4.420 nan 0.000 0.279 25 P C -1.083 176.389 177.300 0.286 0.000 1.239 25 P CA 0.089 63.327 63.100 0.230 0.000 0.789 25 P CB 1.692 33.464 31.700 0.120 0.000 0.933 26 L N 1.074 122.384 121.223 0.145 0.000 2.350 26 L HA 0.484 4.839 4.340 0.026 0.000 0.260 26 L C 1.188 178.061 176.870 0.005 0.000 1.015 26 L CA -0.952 53.934 54.840 0.076 0.000 0.821 26 L CB 2.094 44.168 42.059 0.025 0.000 1.370 26 L HN 0.368 nan 8.230 nan 0.000 0.416 27 T N -2.878 111.652 114.554 -0.041 0.000 2.748 27 T HA 0.045 4.410 4.350 0.026 0.000 0.304 27 T C 1.018 175.660 174.700 -0.097 0.000 1.041 27 T CA 0.237 62.303 62.100 -0.057 0.000 1.033 27 T CB 0.698 69.530 68.868 -0.061 0.000 0.995 27 T HN 0.858 nan 8.240 nan 0.000 0.536 28 E N -0.001 120.157 120.200 -0.068 0.000 2.204 28 E HA -0.182 4.184 4.350 0.026 0.000 0.194 28 E C 1.915 178.444 176.600 -0.118 0.000 0.989 28 E CA 1.196 57.554 56.400 -0.070 0.000 0.824 28 E CB -0.193 29.487 29.700 -0.033 0.000 0.756 28 E HN 0.870 nan 8.360 nan 0.000 0.477 29 E N 1.407 121.516 120.200 -0.153 0.000 2.046 29 E HA -0.143 4.223 4.350 0.026 0.000 0.190 29 E C 1.851 178.088 176.600 -0.606 0.000 0.982 29 E CA 1.038 57.300 56.400 -0.231 0.000 0.800 29 E CB 0.157 29.809 29.700 -0.081 0.000 0.756 29 E HN 0.203 nan 8.360 nan 0.000 0.449 30 K N 0.108 120.067 120.400 -0.735 0.000 2.217 30 K HA -0.054 4.282 4.320 0.026 0.000 0.202 30 K C 2.075 178.423 176.600 -0.421 0.000 1.051 30 K CA 0.774 56.532 56.287 -0.881 0.000 0.952 30 K CB 0.072 32.181 32.500 -0.651 0.000 0.736 30 K HN 0.223 nan 8.250 nan 0.000 0.453 31 I N 1.236 121.652 120.570 -0.256 0.000 2.193 31 I HA -0.245 3.941 4.170 0.026 0.000 0.240 31 I C 2.017 178.076 176.117 -0.097 0.000 1.084 31 I CA 1.268 62.491 61.300 -0.128 0.000 1.365 31 I CB -0.151 37.802 38.000 -0.080 0.000 1.064 31 I HN 0.086 nan 8.210 nan 0.000 0.410 32 K N 0.995 121.332 120.400 -0.105 0.000 2.147 32 K HA -0.124 4.212 4.320 0.026 0.000 0.205 32 K C 2.203 178.780 176.600 -0.038 0.000 1.049 32 K CA 1.356 57.612 56.287 -0.051 0.000 0.936 32 K CB -0.198 32.282 32.500 -0.035 0.000 0.722 32 K HN 0.308 nan 8.250 nan 0.000 0.446 33 A N 1.325 124.077 122.820 -0.113 0.000 1.898 33 A HA -0.112 4.223 4.320 0.026 0.000 0.216 33 A C 2.081 179.676 177.584 0.019 0.000 1.181 33 A CA 1.188 53.200 52.037 -0.042 0.000 0.620 33 A CB -0.470 18.410 19.000 -0.200 0.000 0.819 33 A HN 0.135 nan 8.150 nan 0.000 0.442 34 L N -0.701 120.513 121.223 -0.015 0.000 2.068 34 L HA -0.089 4.267 4.340 0.026 0.000 0.204 34 L C 2.415 179.344 176.870 0.097 0.000 1.076 34 L CA 0.713 55.581 54.840 0.048 0.000 0.753 34 L CB -0.585 41.498 42.059 0.040 0.000 0.910 34 L HN 0.198 nan 8.230 nan 0.000 0.439 35 V N 0.085 120.045 119.914 0.076 0.000 2.546 35 V HA -0.283 3.853 4.120 0.026 0.000 0.254 35 V C 2.328 178.478 176.094 0.094 0.000 1.076 35 V CA 1.693 64.052 62.300 0.098 0.000 1.087 35 V CB -0.470 31.380 31.823 0.045 0.000 0.674 35 V HN 0.422 nan 8.190 nan 0.000 0.470 36 E N 0.616 120.859 120.200 0.071 0.000 2.002 36 E HA -0.101 4.265 4.350 0.026 0.000 0.196 36 E C 1.926 178.569 176.600 0.071 0.000 0.974 36 E CA 1.395 57.836 56.400 0.069 0.000 0.853 36 E CB -0.505 29.239 29.700 0.073 0.000 0.808 36 E HN 0.369 nan 8.360 nan 0.000 0.492 37 I N 0.451 121.067 120.570 0.076 0.000 2.181 37 I HA -0.528 3.658 4.170 0.026 0.000 0.240 37 I C 2.587 178.729 176.117 0.042 0.000 1.006 37 I CA 1.863 63.205 61.300 0.069 0.000 1.284 37 I CB -0.688 37.360 38.000 0.080 0.000 0.990 37 I HN 0.336 nan 8.210 nan 0.000 0.408 38 C N -0.542 118.788 119.300 0.049 0.000 2.413 38 C HA -0.199 4.277 4.460 0.026 0.000 0.276 38 C C 3.061 178.014 174.990 -0.061 0.000 1.236 38 C CA 1.659 60.659 59.018 -0.030 0.000 1.735 38 C CB -1.256 26.563 27.740 0.132 0.000 2.031 38 C HN 0.576 nan 8.230 nan 0.000 0.474 39 T N 0.003 114.593 114.554 0.061 0.000 2.869 39 T HA -0.193 4.173 4.350 0.026 0.000 0.270 39 T C 1.842 176.550 174.700 0.013 0.000 1.082 39 T CA 1.713 63.852 62.100 0.065 0.000 1.123 39 T CB -0.398 68.516 68.868 0.077 0.000 0.856 39 T HN 0.591 nan 8.240 nan 0.000 0.499 40 E N 0.577 120.779 120.200 0.004 0.000 2.021 40 E HA -0.028 4.338 4.350 0.026 0.000 0.189 40 E C 2.302 178.889 176.600 -0.022 0.000 0.980 40 E CA 0.939 57.342 56.400 0.006 0.000 0.803 40 E CB -0.395 29.321 29.700 0.027 0.000 0.766 40 E HN 0.556 nan 8.360 nan 0.000 0.449 41 M N 0.746 120.315 119.600 -0.052 0.000 2.108 41 M HA -0.240 4.256 4.480 0.026 0.000 0.257 41 M C 2.370 178.586 176.300 -0.140 0.000 1.071 41 M CA 2.035 57.279 55.300 -0.094 0.000 1.093 41 M CB -0.555 31.939 32.600 -0.176 0.000 1.345 41 M HN 0.167 nan 8.290 nan 0.000 0.403 42 E N 0.708 120.792 120.200 -0.193 0.000 2.130 42 E HA -0.278 4.088 4.350 0.026 0.000 0.196 42 E C 1.919 178.479 176.600 -0.067 0.000 0.998 42 E CA 1.618 57.924 56.400 -0.157 0.000 0.806 42 E CB 0.092 29.729 29.700 -0.104 0.000 0.738 42 E HN 0.212 nan 8.360 nan 0.000 0.459 43 K N 0.986 121.363 120.400 -0.038 0.000 2.031 43 K HA -0.090 4.246 4.320 0.026 0.000 0.205 43 K C 1.666 178.262 176.600 -0.007 0.000 1.049 43 K CA 1.595 57.875 56.287 -0.012 0.000 0.939 43 K CB 0.007 32.507 32.500 0.001 0.000 0.717 43 K HN 0.136 nan 8.250 nan 0.000 0.438 44 E N -0.897 119.301 120.200 -0.003 0.000 2.510 44 E HA -0.056 4.310 4.350 0.026 0.000 0.202 44 E C 0.667 177.274 176.600 0.013 0.000 1.072 44 E CA 0.580 56.990 56.400 0.017 0.000 0.883 44 E CB -0.113 29.611 29.700 0.041 0.000 0.818 44 E HN 0.604 nan 8.360 nan 0.000 0.548 45 G N 1.411 110.203 108.800 -0.013 0.000 2.179 45 G HA2 -0.388 3.588 3.960 0.026 0.000 0.260 45 G HA3 -0.388 3.588 3.960 0.026 0.000 0.260 45 G C 0.928 175.809 174.900 -0.030 0.000 0.977 45 G CA 0.780 45.871 45.100 -0.015 0.000 0.641 45 G HN 0.293 nan 8.290 nan 0.000 0.533 46 K N -0.074 120.297 120.400 -0.049 0.000 2.032 46 K HA 0.111 4.447 4.320 0.026 0.000 0.209 46 K C 1.566 178.060 176.600 -0.177 0.000 1.048 46 K CA 1.604 57.832 56.287 -0.097 0.000 0.927 46 K CB -0.058 32.353 32.500 -0.147 0.000 0.712 46 K HN 0.841 nan 8.250 nan 0.000 0.441 47 I N -3.030 117.389 120.570 -0.251 0.000 2.785 47 I HA 0.381 4.567 4.170 0.026 0.000 0.302 47 I C -1.091 174.895 176.117 -0.219 0.000 1.069 47 I CA -0.855 60.258 61.300 -0.312 0.000 1.045 47 I CB 2.598 40.269 38.000 -0.549 0.000 1.236 47 I HN -0.290 nan 8.210 nan 0.000 0.429 48 S N 3.104 118.721 115.700 -0.139 0.000 2.561 48 S HA 0.369 4.855 4.470 0.026 0.000 0.303 48 S C -0.594 174.031 174.600 0.042 0.000 1.110 48 S CA -0.706 57.466 58.200 -0.048 0.000 1.034 48 S CB 1.535 64.712 63.200 -0.037 0.000 1.010 48 S HN 0.666 nan 8.310 nan 0.000 0.482 49 K N 3.977 124.455 120.400 0.130 0.000 2.436 49 K HA 0.254 4.590 4.320 0.026 0.000 0.282 49 K C -0.213 176.369 176.600 -0.030 0.000 1.044 49 K CA 0.034 56.387 56.287 0.110 0.000 1.028 49 K CB -0.104 32.436 32.500 0.068 0.000 0.919 49 K HN 0.654 nan 8.250 nan 0.000 0.474 50 I N 0.652 121.166 120.570 -0.093 0.000 2.846 50 I HA 0.679 4.865 4.170 0.026 0.000 0.307 50 I C 0.286 176.329 176.117 -0.124 0.000 1.053 50 I CA -1.225 60.017 61.300 -0.096 0.000 1.050 50 I CB 2.118 40.063 38.000 -0.091 0.000 1.239 50 I HN 0.591 nan 8.210 nan 0.000 0.439 51 G N 1.523 110.264 108.800 -0.098 0.000 2.642 51 G HA2 0.535 4.511 3.960 0.026 0.000 0.291 51 G HA3 0.535 4.511 3.960 0.026 0.000 0.291 51 G C -2.094 172.749 174.900 -0.094 0.000 1.345 51 G CA -1.387 43.653 45.100 -0.099 0.000 1.043 51 G HN 0.606 nan 8.290 nan 0.000 0.528 52 P HA -0.008 nan 4.420 nan 0.000 0.274 52 P C 0.312 177.564 177.300 -0.081 0.000 1.370 52 P CA 0.557 63.607 63.100 -0.084 0.000 0.760 52 P CB 0.430 32.084 31.700 -0.076 0.000 1.308 53 E N 0.427 120.581 120.200 -0.076 0.000 2.479 53 E HA 0.001 4.367 4.350 0.026 0.000 0.193 53 E C 0.269 176.822 176.600 -0.079 0.000 1.049 53 E CA -0.063 56.295 56.400 -0.070 0.000 0.870 53 E CB -0.415 29.251 29.700 -0.057 0.000 0.944 53 E HN 0.009 nan 8.360 nan 0.000 0.492 54 N N 0.865 119.512 118.700 -0.088 0.000 2.479 54 N HA 0.158 4.914 4.740 0.026 0.000 0.261 54 N C -2.134 173.280 175.510 -0.160 0.000 0.979 54 N CA -1.763 51.236 53.050 -0.085 0.000 0.930 54 N CB 1.741 40.207 38.487 -0.035 0.000 1.172 54 N HN -0.045 nan 8.380 nan 0.000 0.499 55 P HA 0.026 nan 4.420 nan 0.000 0.242 55 P C -0.620 176.369 177.300 -0.518 0.000 1.197 55 P CA 0.480 63.294 63.100 -0.477 0.000 0.765 55 P CB 0.051 31.372 31.700 -0.632 0.000 0.936 56 Y N 0.324 120.628 120.300 0.007 0.000 2.496 56 Y HA 0.598 5.164 4.550 0.026 0.000 0.331 56 Y C 0.811 176.723 175.900 0.020 0.000 1.140 56 Y CA -0.885 57.237 58.100 0.036 0.000 1.166 56 Y CB 0.904 39.415 38.460 0.085 0.000 1.249 56 Y HN -0.164 nan 8.280 nan 0.000 0.479 57 N N -1.237 117.588 118.700 0.209 0.000 2.859 57 N HA 0.606 5.362 4.740 0.026 0.000 0.250 57 N C -1.996 173.577 175.510 0.105 0.000 1.341 57 N CA -0.493 52.630 53.050 0.121 0.000 0.881 57 N CB 1.991 40.515 38.487 0.062 0.000 1.516 57 N HN 0.585 nan 8.380 nan 0.000 0.503 58 T N 1.956 116.546 114.554 0.059 0.000 2.971 58 T HA 0.497 4.863 4.350 0.026 0.000 0.304 58 T C -2.944 171.695 174.700 -0.101 0.000 1.038 58 T CA -0.761 61.310 62.100 -0.049 0.000 1.007 58 T CB 2.176 70.912 68.868 -0.221 0.000 1.055 58 T HN 0.379 nan 8.240 nan 0.000 0.451 59 P HA 0.223 nan 4.420 nan 0.000 0.271 59 P C -0.661 176.242 177.300 -0.661 0.000 1.216 59 P CA -0.284 62.618 63.100 -0.330 0.000 0.771 59 P CB 1.034 32.578 31.700 -0.260 0.000 0.864 60 V N 5.275 124.834 119.914 -0.592 0.000 2.417 60 V HA 0.538 4.674 4.120 0.026 0.000 0.291 60 V C -1.377 174.381 176.094 -0.560 0.000 1.024 60 V CA -0.700 61.266 62.300 -0.556 0.000 0.861 60 V CB 0.312 31.955 31.823 -0.299 0.000 0.985 60 V HN 0.208 nan 8.190 nan 0.000 0.436 61 F N 5.495 125.381 119.950 -0.106 0.000 2.449 61 F HA 0.773 5.316 4.527 0.026 0.000 0.342 61 F C 0.589 176.352 175.800 -0.061 0.000 1.127 61 F CA -0.866 57.060 58.000 -0.124 0.000 0.975 61 F CB 1.762 40.651 39.000 -0.185 0.000 1.146 61 F HN 0.664 nan 8.300 nan 0.000 0.444 62 A N 5.948 128.855 122.820 0.146 0.000 2.269 62 A HA 0.774 5.110 4.320 0.026 0.000 0.302 62 A C -0.393 177.392 177.584 0.335 0.000 1.266 62 A CA -0.438 51.693 52.037 0.156 0.000 0.894 62 A CB -0.203 18.790 19.000 -0.011 0.000 1.147 62 A HN 0.789 nan 8.150 nan 0.000 0.537 63 I N 0.801 121.582 120.570 0.352 0.000 2.619 63 I HA 0.567 4.753 4.170 0.026 0.000 0.292 63 I C 0.018 176.243 176.117 0.181 0.000 1.100 63 I CA -1.175 60.310 61.300 0.308 0.000 1.043 63 I CB 2.001 40.077 38.000 0.125 0.000 1.239 63 I HN 0.572 nan 8.210 nan 0.000 0.420 64 K N 4.296 124.651 120.400 -0.075 0.000 2.136 64 K HA 0.409 4.745 4.320 0.026 0.000 0.237 64 K C -0.773 175.759 176.600 -0.114 0.000 1.048 64 K CA -0.304 55.853 56.287 -0.216 0.000 0.880 64 K CB 0.806 32.973 32.500 -0.556 0.000 1.105 64 K HN 0.601 nan 8.250 nan 0.000 0.507 65 K N 0.329 120.662 120.400 -0.111 0.000 2.312 65 K HA 0.291 4.627 4.320 0.026 0.000 0.236 65 K C 0.639 177.188 176.600 -0.085 0.000 1.079 65 K CA -0.598 55.646 56.287 -0.073 0.000 0.900 65 K CB 1.254 33.728 32.500 -0.043 0.000 1.297 65 K HN 0.533 nan 8.250 nan 0.000 0.498 66 K N 0.111 120.475 120.400 -0.061 0.000 2.367 66 K HA -0.004 4.332 4.320 0.026 0.000 0.195 66 K C 0.855 177.430 176.600 -0.042 0.000 1.060 66 K CA 0.424 56.677 56.287 -0.056 0.000 1.022 66 K CB 0.299 32.771 32.500 -0.046 0.000 0.894 66 K HN 0.490 nan 8.250 nan 0.000 0.540 67 D N 0.473 120.854 120.400 -0.032 0.000 2.085 67 D HA -0.111 4.545 4.640 0.026 0.000 0.199 67 D C 1.618 177.907 176.300 -0.019 0.000 0.981 67 D CA 1.321 55.312 54.000 -0.016 0.000 0.834 67 D CB 0.097 40.896 40.800 -0.002 0.000 0.992 67 D HN -0.044 nan 8.370 nan 0.000 0.457 68 S N -1.863 113.822 115.700 -0.025 0.000 2.559 68 S HA 0.128 4.614 4.470 0.026 0.000 0.226 68 S C 0.158 174.726 174.600 -0.055 0.000 1.000 68 S CA 0.487 58.671 58.200 -0.026 0.000 0.948 68 S CB -0.343 62.852 63.200 -0.009 0.000 0.870 68 S HN 0.326 nan 8.310 nan 0.000 0.497 69 T N 2.257 116.764 114.554 -0.079 0.000 3.866 69 T HA -0.236 4.130 4.350 0.026 0.000 0.344 69 T C -0.058 174.526 174.700 -0.193 0.000 0.760 69 T CA 1.805 63.824 62.100 -0.135 0.000 1.852 69 T CB -1.672 67.121 68.868 -0.125 0.000 1.891 69 T HN 0.829 nan 8.240 nan 0.000 0.783 70 K N -0.689 119.629 120.400 -0.135 0.000 2.123 70 K HA 0.474 4.810 4.320 0.026 0.000 0.248 70 K C -0.314 176.224 176.600 -0.102 0.000 0.969 70 K CA -1.181 55.033 56.287 -0.122 0.000 0.882 70 K CB 1.182 33.681 32.500 -0.001 0.000 1.080 70 K HN 0.185 nan 8.250 nan 0.000 0.441 71 W N 2.182 123.490 121.300 0.012 0.000 2.417 71 W HA 0.057 4.732 4.660 0.026 0.000 0.332 71 W C 0.815 177.344 176.519 0.017 0.000 1.413 71 W CA -0.411 56.943 57.345 0.015 0.000 1.299 71 W CB 0.343 29.815 29.460 0.020 0.000 1.304 71 W HN 0.337 nan 8.180 nan 0.000 0.565 72 R N 2.302 122.957 120.500 0.259 0.000 2.740 72 R HA 0.580 4.936 4.340 0.026 0.000 0.223 72 R C -0.713 175.686 176.300 0.166 0.000 1.362 72 R CA -1.227 54.970 56.100 0.161 0.000 1.069 72 R CB 0.878 31.235 30.300 0.094 0.000 1.739 72 R HN 0.353 nan 8.270 nan 0.000 0.533 73 K N 0.683 121.152 120.400 0.114 0.000 2.427 73 K HA 0.451 4.787 4.320 0.026 0.000 0.252 73 K C -1.720 174.925 176.600 0.074 0.000 0.931 73 K CA -0.688 55.645 56.287 0.076 0.000 0.793 73 K CB 1.487 34.008 32.500 0.034 0.000 1.211 73 K HN 0.228 nan 8.250 nan 0.000 0.426 74 L N 4.043 125.295 121.223 0.049 0.000 2.436 74 L HA 0.502 4.858 4.340 0.026 0.000 0.268 74 L C -1.809 175.044 176.870 -0.028 0.000 0.974 74 L CA -0.584 54.299 54.840 0.071 0.000 0.826 74 L CB 2.138 44.276 42.059 0.130 0.000 1.291 74 L HN 0.374 nan 8.230 nan 0.000 0.406 75 V N 3.603 123.507 119.914 -0.017 0.000 2.409 75 V HA 0.377 4.513 4.120 0.026 0.000 0.291 75 V C -0.810 175.209 176.094 -0.126 0.000 1.020 75 V CA -0.628 61.550 62.300 -0.204 0.000 0.848 75 V CB 1.571 33.240 31.823 -0.256 0.000 0.990 75 V HN 0.700 nan 8.190 nan 0.000 0.430 76 D N 3.467 123.750 120.400 -0.195 0.000 2.393 76 D HA 0.286 4.942 4.640 0.026 0.000 0.232 76 D C 0.238 176.494 176.300 -0.073 0.000 1.192 76 D CA -0.017 53.981 54.000 -0.003 0.000 0.882 76 D CB 0.531 41.412 40.800 0.135 0.000 1.038 76 D HN 0.433 nan 8.370 nan 0.000 0.499 77 F N 2.092 122.123 119.950 0.136 0.000 2.693 77 F HA 0.215 4.758 4.527 0.026 0.000 0.303 77 F C 2.153 178.061 175.800 0.179 0.000 1.097 77 F CA -0.382 57.720 58.000 0.170 0.000 1.330 77 F CB 0.259 39.394 39.000 0.224 0.000 1.067 77 F HN 0.232 nan 8.300 nan 0.000 0.565 78 R N 0.338 121.010 120.500 0.287 0.000 2.178 78 R HA -0.283 4.073 4.340 0.026 0.000 0.257 78 R C 1.963 178.387 176.300 0.207 0.000 1.163 78 R CA 2.047 58.278 56.100 0.217 0.000 0.981 78 R CB -0.305 30.099 30.300 0.172 0.000 0.878 78 R HN 0.238 nan 8.270 nan 0.000 0.454 79 E N 0.731 121.056 120.200 0.208 0.000 2.008 79 E HA -0.136 4.230 4.350 0.026 0.000 0.191 79 E C 1.757 178.489 176.600 0.219 0.000 0.986 79 E CA 0.781 57.291 56.400 0.182 0.000 0.807 79 E CB -0.367 29.426 29.700 0.156 0.000 0.766 79 E HN 0.123 nan 8.360 nan 0.000 0.450 80 L N 1.364 122.766 121.223 0.298 0.000 2.089 80 L HA -0.248 4.108 4.340 0.026 0.000 0.213 80 L C 1.547 178.653 176.870 0.393 0.000 1.079 80 L CA 1.956 57.005 54.840 0.348 0.000 0.758 80 L CB -0.970 41.403 42.059 0.524 0.000 0.891 80 L HN 0.145 nan 8.230 nan 0.000 0.433 81 N N 1.035 119.970 118.700 0.392 0.000 2.025 81 N HA -0.234 4.522 4.740 0.026 0.000 0.194 81 N C 1.536 177.159 175.510 0.188 0.000 1.044 81 N CA 2.061 55.284 53.050 0.289 0.000 0.851 81 N CB -0.551 38.053 38.487 0.195 0.000 1.036 81 N HN 0.634 nan 8.380 nan 0.000 0.422 82 K N 1.007 121.496 120.400 0.149 0.000 2.633 82 K HA 0.018 4.353 4.320 0.026 0.000 0.193 82 K C 0.881 177.536 176.600 0.093 0.000 1.033 82 K CA 0.849 57.196 56.287 0.100 0.000 0.980 82 K CB 0.016 32.568 32.500 0.087 0.000 0.800 82 K HN 0.181 nan 8.250 nan 0.000 0.493 83 R N 0.175 120.751 120.500 0.126 0.000 2.476 83 R HA 0.125 4.481 4.340 0.026 0.000 0.276 83 R C -0.274 176.101 176.300 0.124 0.000 0.941 83 R CA -0.107 56.047 56.100 0.090 0.000 1.088 83 R CB 0.970 31.309 30.300 0.065 0.000 1.216 83 R HN -0.012 nan 8.270 nan 0.000 0.533 84 T N 2.680 117.351 114.554 0.194 0.000 2.795 84 T HA 0.101 4.467 4.350 0.026 0.000 0.282 84 T C -0.115 174.597 174.700 0.020 0.000 0.980 84 T CA -0.586 61.654 62.100 0.233 0.000 1.012 84 T CB 1.589 70.723 68.868 0.443 0.000 0.936 84 T HN 0.220 nan 8.240 nan 0.000 0.457 85 Q N 2.854 122.586 119.800 -0.114 0.000 2.427 85 Q HA -0.021 4.334 4.340 0.026 0.000 0.310 85 Q C -0.771 174.951 176.000 -0.464 0.000 1.167 85 Q CA 0.149 55.772 55.803 -0.301 0.000 0.991 85 Q CB 0.409 28.890 28.738 -0.429 0.000 1.287 85 Q HN 0.430 nan 8.270 nan 0.000 0.443 86 D N 1.642 121.837 120.400 -0.341 0.000 2.308 86 D HA 0.219 4.874 4.640 0.026 0.000 0.251 86 D C -0.643 175.437 176.300 -0.366 0.000 1.127 86 D CA 0.122 53.983 54.000 -0.232 0.000 0.876 86 D CB 0.414 41.158 40.800 -0.093 0.000 1.176 86 D HN 0.334 nan 8.370 nan 0.000 0.446 87 F N 0.479 120.391 119.950 -0.064 0.000 2.452 87 F HA 0.309 4.852 4.527 0.026 0.000 0.353 87 F C 0.745 176.601 175.800 0.092 0.000 1.089 87 F CA -1.084 56.908 58.000 -0.015 0.000 1.080 87 F CB 0.573 39.514 39.000 -0.097 0.000 1.399 87 F HN 0.288 nan 8.300 nan 0.000 0.492 88 W N 2.672 124.065 121.300 0.155 0.000 2.303 88 W HA 0.202 4.878 4.660 0.026 0.000 0.318 88 W C -0.302 176.249 176.519 0.053 0.000 1.362 88 W CA -1.072 56.313 57.345 0.066 0.000 1.234 88 W CB 0.671 30.159 29.460 0.048 0.000 1.248 88 W HN 0.604 nan 8.180 nan 0.000 0.546 89 E N 3.237 122.902 120.200 -0.892 0.000 2.729 89 E HA 0.080 4.446 4.350 0.026 0.000 0.246 89 E C 0.038 176.218 176.600 -0.699 0.000 0.984 89 E CA -0.148 55.798 56.400 -0.756 0.000 0.951 89 E CB 0.103 29.322 29.700 -0.802 0.000 0.914 89 E HN 0.279 nan 8.360 nan 0.000 0.509 90 V N 1.122 120.841 119.914 -0.326 0.000 3.051 90 V HA 0.046 4.182 4.120 0.026 0.000 0.306 90 V C 0.495 176.511 176.094 -0.131 0.000 1.083 90 V CA -1.016 61.177 62.300 -0.178 0.000 1.104 90 V CB 0.918 32.685 31.823 -0.092 0.000 1.027 90 V HN 0.694 nan 8.190 nan 0.000 0.483 91 Q N 1.728 121.513 119.800 -0.025 0.000 2.586 91 Q HA -0.040 4.316 4.340 0.026 0.000 0.312 91 Q C 0.276 176.306 176.000 0.050 0.000 1.165 91 Q CA 0.524 56.352 55.803 0.041 0.000 1.065 91 Q CB 0.112 28.942 28.738 0.153 0.000 1.054 91 Q HN 0.819 nan 8.270 nan 0.000 0.408 92 L N 2.015 123.238 121.223 -0.000 0.000 2.554 92 L HA 0.257 4.612 4.340 0.026 0.000 0.225 92 L C 0.698 177.584 176.870 0.027 0.000 1.104 92 L CA 0.648 55.494 54.840 0.009 0.000 0.866 92 L CB 0.457 42.493 42.059 -0.037 0.000 1.047 92 L HN 0.515 nan 8.230 nan 0.000 0.468 93 G N 0.840 109.656 108.800 0.026 0.000 2.335 93 G HA2 0.527 4.503 3.960 0.026 0.000 0.316 93 G HA3 0.527 4.503 3.960 0.026 0.000 0.316 93 G C -0.397 174.534 174.900 0.052 0.000 1.129 93 G CA -0.392 44.718 45.100 0.016 0.000 0.899 93 G HN 0.271 nan 8.290 nan 0.000 0.448 94 I N 0.629 121.223 120.570 0.041 0.000 2.947 94 I HA 0.735 4.920 4.170 0.026 0.000 0.314 94 I C -2.310 173.820 176.117 0.021 0.000 1.028 94 I CA -2.615 58.743 61.300 0.097 0.000 1.077 94 I CB 1.447 39.505 38.000 0.097 0.000 1.274 94 I HN 0.183 nan 8.210 nan 0.000 0.485 95 P HA 0.251 nan 4.420 nan 0.000 0.274 95 P C -1.536 175.788 177.300 0.040 0.000 1.237 95 P CA 0.079 63.114 63.100 -0.110 0.000 0.793 95 P CB 0.276 31.759 31.700 -0.361 0.000 0.977 96 H N 0.663 119.623 119.070 -0.183 0.000 2.495 96 H HA 0.273 4.845 4.556 0.026 0.000 0.348 96 H C -1.752 173.402 175.328 -0.290 0.000 1.113 96 H CA -2.178 53.724 56.048 -0.242 0.000 1.195 96 H CB 1.736 31.278 29.762 -0.365 0.000 1.521 96 H HN 0.234 nan 8.280 nan 0.000 0.509 97 P HA -0.246 nan 4.420 nan 0.000 0.216 97 P C 0.984 178.283 177.300 -0.002 0.000 1.154 97 P CA 2.277 65.291 63.100 -0.143 0.000 0.865 97 P CB 0.042 31.310 31.700 -0.720 0.000 0.789 98 A N -0.646 122.119 122.820 -0.091 0.000 2.024 98 A HA -0.083 4.253 4.320 0.026 0.000 0.220 98 A C 2.222 179.929 177.584 0.204 0.000 1.164 98 A CA 1.943 53.972 52.037 -0.015 0.000 0.643 98 A CB -1.568 17.296 19.000 -0.227 0.000 0.806 98 A HN 0.334 nan 8.150 nan 0.000 0.451 99 G N -1.301 107.437 108.800 -0.103 0.000 3.088 99 G HA2 0.404 4.379 3.960 0.026 0.000 0.217 99 G HA3 0.404 4.379 3.960 0.026 0.000 0.217 99 G C 0.447 175.437 174.900 0.150 0.000 1.159 99 G CA -0.361 44.678 45.100 -0.100 0.000 0.760 99 G HN 0.366 nan 8.290 nan 0.000 0.550 100 L N 0.137 121.460 121.223 0.166 0.000 2.439 100 L HA 0.413 4.769 4.340 0.026 0.000 0.261 100 L C 0.211 177.151 176.870 0.117 0.000 1.153 100 L CA -0.348 54.505 54.840 0.022 0.000 0.808 100 L CB 1.161 43.082 42.059 -0.230 0.000 1.126 100 L HN -0.058 nan 8.230 nan 0.000 0.460 101 K N 1.199 121.575 120.400 -0.039 0.000 2.207 101 K HA 0.264 4.600 4.320 0.026 0.000 0.255 101 K C -0.711 175.819 176.600 -0.117 0.000 0.941 101 K CA -0.862 55.434 56.287 0.014 0.000 0.825 101 K CB 1.783 34.285 32.500 0.003 0.000 1.119 101 K HN 0.417 nan 8.250 nan 0.000 0.430 102 K N 2.675 123.094 120.400 0.033 0.000 2.527 102 K HA 0.039 4.375 4.320 0.026 0.000 0.278 102 K C -0.474 176.111 176.600 -0.024 0.000 0.981 102 K CA 0.229 56.546 56.287 0.050 0.000 1.009 102 K CB 0.515 33.115 32.500 0.165 0.000 0.895 102 K HN 0.191 nan 8.250 nan 0.000 0.493 103 K N 2.764 123.142 120.400 -0.038 0.000 2.340 103 K HA 0.135 4.471 4.320 0.026 0.000 0.244 103 K C 0.181 176.773 176.600 -0.014 0.000 0.973 103 K CA -0.928 55.340 56.287 -0.032 0.000 0.828 103 K CB 1.767 34.233 32.500 -0.057 0.000 1.226 103 K HN 0.534 nan 8.250 nan 0.000 0.437 104 K N 0.498 120.885 120.400 -0.022 0.000 2.116 104 K HA -0.022 4.313 4.320 0.026 0.000 0.203 104 K C 0.375 176.927 176.600 -0.080 0.000 1.052 104 K CA 0.884 57.154 56.287 -0.029 0.000 0.952 104 K CB 0.280 32.771 32.500 -0.015 0.000 0.729 104 K HN 0.650 nan 8.250 nan 0.000 0.446 105 S N -1.529 114.076 115.700 -0.159 0.000 2.550 105 S HA 0.623 5.109 4.470 0.026 0.000 0.270 105 S C -1.220 173.197 174.600 -0.306 0.000 1.145 105 S CA -1.045 56.985 58.200 -0.283 0.000 0.852 105 S CB 1.890 64.803 63.200 -0.479 0.000 1.119 105 S HN -0.173 nan 8.310 nan 0.000 0.465 106 V N 1.849 121.656 119.914 -0.178 0.000 2.789 106 V HA 0.794 4.930 4.120 0.026 0.000 0.311 106 V C -0.119 176.088 176.094 0.189 0.000 1.073 106 V CA -0.423 61.898 62.300 0.034 0.000 0.921 106 V CB 2.005 33.866 31.823 0.064 0.000 1.009 106 V HN 1.155 nan 8.190 nan 0.000 0.426 107 T N 1.927 116.707 114.554 0.377 0.000 2.724 107 T HA 0.785 5.151 4.350 0.026 0.000 0.274 107 T C -1.040 173.855 174.700 0.324 0.000 0.984 107 T CA -0.743 61.593 62.100 0.392 0.000 1.024 107 T CB 2.127 71.201 68.868 0.345 0.000 1.320 107 T HN 0.818 nan 8.240 nan 0.000 0.555 108 V N 1.555 121.517 119.914 0.080 0.000 2.719 108 V HA 0.481 4.616 4.120 0.026 0.000 0.289 108 V C -2.219 173.728 176.094 -0.246 0.000 1.167 108 V CA -0.755 61.365 62.300 -0.301 0.000 0.929 108 V CB 0.994 32.329 31.823 -0.813 0.000 1.050 108 V HN 0.625 nan 8.190 nan 0.000 0.448 109 L N 5.566 126.646 121.223 -0.238 0.000 2.307 109 L HA 0.615 4.971 4.340 0.026 0.000 0.282 109 L C 0.297 177.045 176.870 -0.204 0.000 1.051 109 L CA 0.221 54.964 54.840 -0.162 0.000 0.804 109 L CB 1.398 43.394 42.059 -0.106 0.000 1.197 109 L HN 0.683 nan 8.230 nan 0.000 0.431 110 D N 2.836 123.142 120.400 -0.156 0.000 2.485 110 D HA 0.099 4.755 4.640 0.026 0.000 0.221 110 D C -0.588 175.628 176.300 -0.140 0.000 1.112 110 D CA -0.337 53.563 54.000 -0.167 0.000 0.911 110 D CB 0.986 41.695 40.800 -0.151 0.000 1.019 110 D HN 0.201 nan 8.370 nan 0.000 0.516 111 V N 4.918 124.758 119.914 -0.123 0.000 2.054 111 V HA 0.105 4.241 4.120 0.026 0.000 0.243 111 V C 1.927 177.891 176.094 -0.216 0.000 1.480 111 V CA 0.128 62.371 62.300 -0.096 0.000 1.440 111 V CB 0.157 32.005 31.823 0.041 0.000 1.489 111 V HN 0.609 nan 8.190 nan 0.000 0.502 112 G N 3.300 111.964 108.800 -0.225 0.000 2.639 112 G HA2 -0.243 3.733 3.960 0.026 0.000 0.216 112 G HA3 -0.243 3.733 3.960 0.026 0.000 0.216 112 G C 0.731 175.404 174.900 -0.380 0.000 1.267 112 G CA 0.829 45.747 45.100 -0.304 0.000 0.801 112 G HN 0.661 nan 8.290 nan 0.000 0.592 113 D N 1.446 121.670 120.400 -0.293 0.000 2.403 113 D HA 0.343 4.999 4.640 0.026 0.000 0.260 113 D C 2.113 178.261 176.300 -0.253 0.000 1.243 113 D CA 0.564 54.386 54.000 -0.298 0.000 0.918 113 D CB -0.151 40.560 40.800 -0.147 0.000 0.939 113 D HN 0.326 nan 8.370 nan 0.000 0.507 114 A N -0.117 122.447 122.820 -0.427 0.000 1.971 114 A HA -0.317 4.019 4.320 0.026 0.000 0.222 114 A C 1.759 179.098 177.584 -0.409 0.000 1.182 114 A CA 1.368 53.001 52.037 -0.673 0.000 0.649 114 A CB -0.894 17.166 19.000 -1.565 0.000 0.818 114 A HN 0.503 nan 8.150 nan 0.000 0.458 115 Y N -1.677 118.361 120.300 -0.437 0.000 2.117 115 Y HA -0.121 4.444 4.550 0.026 0.000 0.277 115 Y C 2.265 178.287 175.900 0.203 0.000 1.104 115 Y CA 0.851 58.882 58.100 -0.115 0.000 1.089 115 Y CB -0.539 37.878 38.460 -0.073 0.000 0.999 115 Y HN 0.299 nan 8.280 nan 0.000 0.480 116 F N -0.156 119.886 119.950 0.154 0.000 2.605 116 F HA -0.209 4.334 4.527 0.027 0.000 0.296 116 F C 2.077 177.938 175.800 0.102 0.000 1.146 116 F CA 0.056 58.135 58.000 0.132 0.000 1.478 116 F CB -0.210 38.865 39.000 0.124 0.000 1.107 116 F HN 0.114 nan 8.300 nan 0.000 0.600 117 S N -0.393 115.469 115.700 0.268 0.000 2.404 117 S HA 0.015 4.501 4.470 0.026 0.000 0.223 117 S C 0.823 175.549 174.600 0.210 0.000 1.040 117 S CA 0.111 58.432 58.200 0.203 0.000 0.957 117 S CB 0.073 63.373 63.200 0.168 0.000 0.826 117 S HN -0.073 nan 8.310 nan 0.000 0.491 118 V N 5.489 125.547 119.914 0.241 0.000 2.461 118 V HA 0.245 4.381 4.120 0.026 0.000 0.275 118 V C -2.119 174.073 176.094 0.163 0.000 1.047 118 V CA -2.106 60.323 62.300 0.215 0.000 0.955 118 V CB 0.660 32.647 31.823 0.273 0.000 0.988 118 V HN 0.228 nan 8.190 nan 0.000 0.471 119 P HA 0.117 nan 4.420 nan 0.000 0.269 119 P C -0.475 176.876 177.300 0.085 0.000 1.215 119 P CA -0.152 63.008 63.100 0.100 0.000 0.780 119 P CB 1.349 33.105 31.700 0.093 0.000 0.898 120 L N 1.570 122.828 121.223 0.059 0.000 2.375 120 L HA 0.289 4.645 4.340 0.026 0.000 0.268 120 L C 0.518 177.423 176.870 0.059 0.000 1.058 120 L CA -0.753 54.110 54.840 0.037 0.000 0.803 120 L CB 1.154 43.195 42.059 -0.030 0.000 1.212 120 L HN 0.352 nan 8.230 nan 0.000 0.451 121 D N 1.633 122.081 120.400 0.079 0.000 2.451 121 D HA -0.068 4.588 4.640 0.026 0.000 0.254 121 D C 0.967 177.329 176.300 0.103 0.000 1.204 121 D CA 0.271 54.332 54.000 0.102 0.000 0.896 121 D CB 0.985 41.862 40.800 0.129 0.000 1.136 121 D HN 0.452 nan 8.370 nan 0.000 0.499 122 E N 2.534 122.777 120.200 0.072 0.000 2.136 122 E HA -0.260 4.106 4.350 0.026 0.000 0.208 122 E C 1.199 177.822 176.600 0.038 0.000 1.035 122 E CA 2.009 58.437 56.400 0.047 0.000 0.838 122 E CB -0.073 29.649 29.700 0.038 0.000 0.748 122 E HN 0.610 nan 8.360 nan 0.000 0.459 123 D N -0.906 119.536 120.400 0.070 0.000 2.178 123 D HA -0.116 4.540 4.640 0.026 0.000 0.202 123 D C 1.497 177.825 176.300 0.046 0.000 0.974 123 D CA 0.603 54.637 54.000 0.057 0.000 0.841 123 D CB -0.288 40.576 40.800 0.106 0.000 0.953 123 D HN 0.148 nan 8.370 nan 0.000 0.478 124 F N 1.342 121.276 119.950 -0.026 0.000 2.456 124 F HA 0.062 4.605 4.527 0.026 0.000 0.298 124 F C 2.010 177.719 175.800 -0.151 0.000 1.104 124 F CA 0.554 58.555 58.000 0.001 0.000 1.435 124 F CB 0.118 39.132 39.000 0.024 0.000 1.078 124 F HN -0.231 nan 8.300 nan 0.000 0.546 125 R N 0.965 121.420 120.500 -0.076 0.000 2.119 125 R HA -0.250 4.106 4.340 0.026 0.000 0.246 125 R C 2.310 178.469 176.300 -0.235 0.000 1.146 125 R CA 2.161 58.186 56.100 -0.125 0.000 0.962 125 R CB -0.600 29.666 30.300 -0.056 0.000 0.863 125 R HN 0.374 nan 8.270 nan 0.000 0.442 126 K N -0.119 120.059 120.400 -0.370 0.000 2.127 126 K HA -0.226 4.110 4.320 0.026 0.000 0.208 126 K C 1.425 177.762 176.600 -0.438 0.000 1.047 126 K CA 1.882 57.926 56.287 -0.404 0.000 0.927 126 K CB -0.512 31.678 32.500 -0.517 0.000 0.716 126 K HN 0.268 nan 8.250 nan 0.000 0.450 127 Y N 2.584 122.618 120.300 -0.443 0.000 2.509 127 Y HA -0.038 4.527 4.550 0.026 0.000 0.293 127 Y C 1.692 177.449 175.900 -0.238 0.000 1.133 127 Y CA 1.073 58.833 58.100 -0.566 0.000 1.283 127 Y CB -0.441 37.404 38.460 -1.025 0.000 1.001 127 Y HN 0.242 nan 8.280 nan 0.000 0.555 128 T N -1.513 113.026 114.554 -0.024 0.000 3.256 128 T HA 0.688 5.054 4.350 0.026 0.000 0.237 128 T C 0.251 175.172 174.700 0.367 0.000 0.908 128 T CA -0.370 61.923 62.100 0.321 0.000 0.966 128 T CB -0.674 68.345 68.868 0.251 0.000 1.134 128 T HN 0.188 nan 8.240 nan 0.000 0.573 129 A N 2.102 125.050 122.820 0.214 0.000 2.310 129 A HA 0.791 5.126 4.320 0.026 0.000 0.299 129 A C -0.335 177.350 177.584 0.167 0.000 1.147 129 A CA -0.991 51.111 52.037 0.109 0.000 0.818 129 A CB 0.354 19.376 19.000 0.038 0.000 1.096 129 A HN 0.802 nan 8.150 nan 0.000 0.495 130 F N -0.794 119.176 119.950 0.033 0.000 2.613 130 F HA 0.806 5.349 4.527 0.027 0.000 0.314 130 F C -0.430 175.355 175.800 -0.024 0.000 1.075 130 F CA -0.799 57.185 58.000 -0.027 0.000 0.945 130 F CB 1.516 40.477 39.000 -0.065 0.000 1.310 130 F HN 0.301 nan 8.300 nan 0.000 0.467 131 T N 3.505 118.157 114.554 0.163 0.000 2.786 131 T HA 0.490 4.855 4.350 0.026 0.000 0.283 131 T C -0.237 174.530 174.700 0.111 0.000 0.992 131 T CA -0.382 61.734 62.100 0.027 0.000 0.954 131 T CB 1.019 69.873 68.868 -0.024 0.000 0.934 131 T HN 0.563 nan 8.240 nan 0.000 0.440 132 I N 7.019 127.625 120.570 0.061 0.000 2.363 132 I HA 0.185 4.371 4.170 0.026 0.000 0.292 132 I C -1.516 174.605 176.117 0.006 0.000 1.075 132 I CA -2.041 59.306 61.300 0.078 0.000 1.333 132 I CB 0.916 38.958 38.000 0.070 0.000 1.415 132 I HN 0.333 nan 8.210 nan 0.000 0.502 133 P HA -0.010 nan 4.420 nan 0.000 0.271 133 P C -0.441 176.854 177.300 -0.009 0.000 1.238 133 P CA -0.218 62.889 63.100 0.012 0.000 0.794 133 P CB 0.984 32.710 31.700 0.043 0.000 0.959 134 S N -0.402 115.291 115.700 -0.011 0.000 2.621 134 S HA 0.535 5.021 4.470 0.026 0.000 0.302 134 S C 0.218 174.811 174.600 -0.012 0.000 1.093 134 S CA -1.132 57.057 58.200 -0.019 0.000 1.017 134 S CB 0.123 63.308 63.200 -0.025 0.000 1.077 134 S HN 0.353 nan 8.310 nan 0.000 0.517 135 I N 2.328 122.888 120.570 -0.016 0.000 2.581 135 I HA 0.275 4.461 4.170 0.026 0.000 0.285 135 I C 0.001 176.114 176.117 -0.007 0.000 1.129 135 I CA -0.082 61.211 61.300 -0.012 0.000 1.397 135 I CB -0.280 37.711 38.000 -0.015 0.000 1.399 135 I HN 0.708 nan 8.210 nan 0.000 0.537 136 N N 4.382 123.082 118.700 -0.000 0.000 2.776 136 N HA -0.237 4.519 4.740 0.026 0.000 0.250 136 N C -0.027 175.481 175.510 -0.003 0.000 1.112 136 N CA 0.994 54.045 53.050 0.001 0.000 0.733 136 N CB -1.395 37.090 38.487 -0.002 0.000 1.097 136 N HN 0.951 nan 8.380 nan 0.000 0.558 137 N N -0.441 118.258 118.700 -0.002 0.000 2.661 137 N HA -0.245 4.510 4.740 0.026 0.000 0.249 137 N C 1.087 176.589 175.510 -0.014 0.000 1.142 137 N CA 1.886 54.932 53.050 -0.007 0.000 0.727 137 N CB -0.700 37.782 38.487 -0.008 0.000 1.099 137 N HN 0.820 nan 8.380 nan 0.000 0.558 138 E N 0.163 120.354 120.200 -0.015 0.000 3.744 138 E HA -0.074 4.292 4.350 0.026 0.000 0.519 138 E C 0.864 177.450 176.600 -0.023 0.000 0.605 138 E CA 0.682 57.071 56.400 -0.018 0.000 3.302 138 E CB -0.718 28.972 29.700 -0.016 0.000 1.647 138 E HN 0.339 nan 8.360 nan 0.000 0.425 139 T N 0.320 114.859 114.554 -0.026 0.000 2.716 139 T HA 0.087 4.452 4.350 0.026 0.000 0.335 139 T C -1.822 172.854 174.700 -0.038 0.000 1.081 139 T CA -1.036 61.045 62.100 -0.032 0.000 1.073 139 T CB -0.328 68.520 68.868 -0.034 0.000 0.993 139 T HN 0.296 nan 8.240 nan 0.000 0.547 140 P HA 0.244 nan 4.420 nan 0.000 0.270 140 P C 0.460 177.719 177.300 -0.067 0.000 1.227 140 P CA -0.261 62.805 63.100 -0.056 0.000 0.788 140 P CB 0.119 31.782 31.700 -0.063 0.000 0.926 141 G N 0.193 108.947 108.800 -0.076 0.000 2.502 141 G HA2 0.528 4.503 3.960 0.026 0.000 0.305 141 G HA3 0.528 4.503 3.960 0.026 0.000 0.305 141 G C -0.355 174.455 174.900 -0.151 0.000 1.190 141 G CA -0.967 44.078 45.100 -0.092 0.000 0.933 141 G HN 0.434 nan 8.290 nan 0.000 0.503 142 I N 0.995 121.443 120.570 -0.204 0.000 2.312 142 I HA 0.246 4.431 4.170 0.026 0.000 0.291 142 I C 0.771 176.581 176.117 -0.512 0.000 1.031 142 I CA -0.328 60.758 61.300 -0.358 0.000 1.293 142 I CB 0.934 38.687 38.000 -0.411 0.000 1.403 142 I HN 0.272 nan 8.210 nan 0.000 0.484 143 R N 5.713 125.926 120.500 -0.478 0.000 2.490 143 R HA 0.550 4.906 4.340 0.026 0.000 0.278 143 R C -1.330 174.577 176.300 -0.654 0.000 1.069 143 R CA -0.167 55.653 56.100 -0.467 0.000 1.080 143 R CB 1.064 31.199 30.300 -0.275 0.000 1.030 143 R HN 0.506 nan 8.270 nan 0.000 0.491 144 Y N 0.120 120.036 120.300 -0.640 0.000 2.552 144 Y HA 0.156 4.722 4.550 0.026 0.000 0.337 144 Y C -0.649 174.855 175.900 -0.661 0.000 1.094 144 Y CA -1.145 56.486 58.100 -0.783 0.000 1.028 144 Y CB 2.568 40.198 38.460 -1.383 0.000 1.321 144 Y HN 0.522 nan 8.280 nan 0.000 0.456 145 Q N 1.065 120.752 119.800 -0.189 0.000 2.389 145 Q HA 0.509 4.865 4.340 0.026 0.000 0.277 145 Q C -2.126 173.856 176.000 -0.029 0.000 1.082 145 Q CA -1.105 54.662 55.803 -0.060 0.000 0.810 145 Q CB 2.396 31.107 28.738 -0.045 0.000 1.374 145 Q HN 0.596 nan 8.270 nan 0.000 0.422 146 Y N 1.641 121.952 120.300 0.020 0.000 2.309 146 Y HA 0.191 4.757 4.550 0.027 0.000 0.327 146 Y C 0.851 176.700 175.900 -0.085 0.000 1.172 146 Y CA 0.271 58.346 58.100 -0.042 0.000 1.280 146 Y CB 0.998 39.431 38.460 -0.045 0.000 1.234 146 Y HN 0.763 nan 8.280 nan 0.000 0.512 147 N N 0.881 119.633 118.700 0.087 0.000 2.348 147 N HA 0.055 4.811 4.740 0.026 0.000 0.183 147 N C -0.262 175.279 175.510 0.052 0.000 1.094 147 N CA 0.440 53.513 53.050 0.039 0.000 0.885 147 N CB 0.673 39.166 38.487 0.011 0.000 1.065 147 N HN 0.381 nan 8.380 nan 0.000 0.472 148 V N -1.258 118.703 119.914 0.077 0.000 3.177 148 V HA 0.498 4.634 4.120 0.026 0.000 0.319 148 V C 0.320 176.421 176.094 0.011 0.000 1.125 148 V CA -1.203 61.145 62.300 0.079 0.000 1.029 148 V CB 1.053 32.953 31.823 0.129 0.000 1.119 148 V HN -0.231 nan 8.190 nan 0.000 0.452 149 L N 2.940 124.191 121.223 0.046 0.000 2.584 149 L HA 0.329 4.685 4.340 0.026 0.000 0.272 149 L C -2.232 174.558 176.870 -0.134 0.000 1.195 149 L CA -0.803 54.009 54.840 -0.046 0.000 0.920 149 L CB -0.497 41.535 42.059 -0.044 0.000 1.173 149 L HN 0.578 nan 8.230 nan 0.000 0.489 150 P HA 0.121 nan 4.420 nan 0.000 0.280 150 P C -0.937 176.270 177.300 -0.156 0.000 1.244 150 P CA -0.590 62.087 63.100 -0.705 0.000 0.784 150 P CB 0.590 31.429 31.700 -1.434 0.000 0.913 151 Q N 2.073 122.067 119.800 0.323 0.000 2.289 151 Q HA 0.334 4.690 4.340 0.026 0.000 0.273 151 Q C 1.041 177.212 176.000 0.284 0.000 1.029 151 Q CA 1.083 57.157 55.803 0.452 0.000 0.896 151 Q CB -0.453 28.556 28.738 0.453 0.000 1.182 151 Q HN 0.803 nan 8.270 nan 0.000 0.385 152 G N 3.328 112.263 108.800 0.226 0.000 2.194 152 G HA2 -0.277 3.699 3.960 0.026 0.000 0.236 152 G HA3 -0.277 3.699 3.960 0.026 0.000 0.236 152 G C -0.545 174.435 174.900 0.134 0.000 0.987 152 G CA -0.060 45.158 45.100 0.197 0.000 0.635 152 G HN 0.698 nan 8.290 nan 0.000 0.520 153 W N 2.280 123.429 121.300 -0.252 0.000 2.218 153 W HA 0.605 5.281 4.660 0.027 0.000 0.326 153 W C 1.395 177.759 176.519 -0.258 0.000 1.276 153 W CA -0.211 56.913 57.345 -0.368 0.000 1.210 153 W CB 0.827 29.888 29.460 -0.665 0.000 1.143 153 W HN 0.109 nan 8.180 nan 0.000 0.563 154 K N 2.666 122.497 120.400 -0.948 0.000 2.001 154 K HA -0.191 4.145 4.320 0.026 0.000 0.214 154 K C 1.937 177.793 176.600 -1.240 0.000 1.050 154 K CA 2.254 58.035 56.287 -0.844 0.000 0.934 154 K CB -0.821 31.354 32.500 -0.542 0.000 0.718 154 K HN 0.775 nan 8.250 nan 0.000 0.443 155 G N -0.166 107.198 108.800 -2.393 0.000 2.471 155 G HA2 -0.183 3.792 3.960 0.026 0.000 0.219 155 G HA3 -0.183 3.792 3.960 0.026 0.000 0.219 155 G C 1.414 175.537 174.900 -1.295 0.000 1.125 155 G CA 0.816 44.450 45.100 -2.442 0.000 0.775 155 G HN 0.317 nan 8.290 nan 0.000 0.548 156 S N 1.696 116.874 115.700 -0.869 0.000 2.365 156 S HA -0.112 4.374 4.470 0.026 0.000 0.225 156 S C 0.216 174.547 174.600 -0.448 0.000 1.039 156 S CA 1.733 59.568 58.200 -0.608 0.000 1.033 156 S CB -0.820 61.805 63.200 -0.959 0.000 0.887 156 S HN 0.332 nan 8.310 nan 0.000 0.447 157 P HA -0.007 nan 4.420 nan 0.000 0.214 157 P C 1.528 178.789 177.300 -0.065 0.000 1.162 157 P CA 1.477 64.547 63.100 -0.051 0.000 0.879 157 P CB -0.128 31.532 31.700 -0.066 0.000 0.786 158 A N -0.922 121.757 122.820 -0.236 0.000 1.933 158 A HA -0.153 4.183 4.320 0.026 0.000 0.218 158 A C 2.161 179.656 177.584 -0.148 0.000 1.175 158 A CA 1.410 53.337 52.037 -0.182 0.000 0.628 158 A CB -1.633 17.224 19.000 -0.238 0.000 0.814 158 A HN 0.127 nan 8.150 nan 0.000 0.444 159 I N -1.974 118.460 120.570 -0.227 0.000 2.761 159 I HA -0.123 4.063 4.170 0.026 0.000 0.261 159 I C 2.165 178.283 176.117 0.002 0.000 1.198 159 I CA 0.910 62.142 61.300 -0.113 0.000 1.482 159 I CB -0.125 37.797 38.000 -0.129 0.000 1.100 159 I HN 0.517 nan 8.210 nan 0.000 0.445 160 F N 0.977 120.878 119.950 -0.081 0.000 2.219 160 F HA -0.143 4.400 4.527 0.026 0.000 0.294 160 F C 2.576 178.365 175.800 -0.018 0.000 1.086 160 F CA 1.200 59.196 58.000 -0.007 0.000 1.330 160 F CB -0.125 38.932 39.000 0.095 0.000 1.047 160 F HN -0.071 nan 8.300 nan 0.000 0.495 161 Q N -0.011 119.660 119.800 -0.215 0.000 2.096 161 Q HA -0.237 4.118 4.340 0.026 0.000 0.204 161 Q C 2.425 178.270 176.000 -0.258 0.000 0.982 161 Q CA 1.985 57.618 55.803 -0.284 0.000 0.850 161 Q CB -0.374 28.325 28.738 -0.064 0.000 0.901 161 Q HN 0.501 nan 8.270 nan 0.000 0.422 162 S N -0.287 115.322 115.700 -0.151 0.000 2.354 162 S HA -0.176 4.310 4.470 0.026 0.000 0.219 162 S C 2.071 176.569 174.600 -0.171 0.000 1.035 162 S CA 1.903 60.038 58.200 -0.108 0.000 1.037 162 S CB -0.379 62.792 63.200 -0.048 0.000 0.956 162 S HN 0.484 nan 8.310 nan 0.000 0.428 163 S N 1.522 117.108 115.700 -0.189 0.000 2.372 163 S HA -0.208 4.277 4.470 0.026 0.000 0.227 163 S C 1.877 176.279 174.600 -0.331 0.000 1.044 163 S CA 1.912 59.982 58.200 -0.217 0.000 1.050 163 S CB -0.658 62.458 63.200 -0.140 0.000 0.901 163 S HN 0.606 nan 8.310 nan 0.000 0.447 164 M N 2.003 121.312 119.600 -0.484 0.000 2.082 164 M HA -0.128 4.368 4.480 0.026 0.000 0.258 164 M C 2.027 178.146 176.300 -0.302 0.000 1.069 164 M CA 1.829 56.834 55.300 -0.492 0.000 1.102 164 M CB -1.566 30.595 32.600 -0.732 0.000 1.336 164 M HN 0.216 nan 8.290 nan 0.000 0.404 165 T N 0.074 114.487 114.554 -0.235 0.000 2.708 165 T HA -0.158 4.207 4.350 0.026 0.000 0.266 165 T C 1.796 176.417 174.700 -0.131 0.000 1.037 165 T CA 1.819 63.838 62.100 -0.135 0.000 1.146 165 T CB -0.257 68.561 68.868 -0.083 0.000 0.865 165 T HN 0.250 nan 8.240 nan 0.000 0.435 166 K N 1.255 121.555 120.400 -0.167 0.000 2.057 166 K HA 0.083 4.419 4.320 0.026 0.000 0.207 166 K C 2.032 178.481 176.600 -0.252 0.000 1.049 166 K CA 1.204 57.389 56.287 -0.170 0.000 0.931 166 K CB -0.749 31.645 32.500 -0.177 0.000 0.714 166 K HN 0.378 nan 8.250 nan 0.000 0.440 167 I N 0.290 120.618 120.570 -0.402 0.000 2.226 167 I HA -0.277 3.909 4.170 0.026 0.000 0.245 167 I C 1.991 178.017 176.117 -0.151 0.000 1.100 167 I CA 1.159 62.106 61.300 -0.587 0.000 1.374 167 I CB -0.245 37.321 38.000 -0.724 0.000 1.057 167 I HN 0.100 nan 8.210 nan 0.000 0.413 168 L N 0.364 121.528 121.223 -0.097 0.000 2.376 168 L HA -0.144 4.212 4.340 0.026 0.000 0.219 168 L C 2.429 179.340 176.870 0.068 0.000 1.133 168 L CA 0.642 55.490 54.840 0.014 0.000 0.816 168 L CB -0.525 41.514 42.059 -0.033 0.000 0.933 168 L HN 0.327 nan 8.230 nan 0.000 0.449 169 E N 1.100 121.313 120.200 0.022 0.000 2.068 169 E HA -0.262 4.104 4.350 0.026 0.000 0.207 169 E C -0.577 176.061 176.600 0.063 0.000 1.032 169 E CA 2.378 58.799 56.400 0.035 0.000 0.839 169 E CB -0.696 29.009 29.700 0.009 0.000 0.758 169 E HN 0.301 nan 8.360 nan 0.000 0.457 170 P HA -0.196 nan 4.420 nan 0.000 0.215 170 P C 1.515 178.829 177.300 0.024 0.000 1.157 170 P CA 1.358 64.501 63.100 0.071 0.000 0.868 170 P CB -0.406 31.379 31.700 0.142 0.000 0.788 171 F N 1.264 121.117 119.950 -0.162 0.000 2.161 171 F HA -0.168 4.375 4.527 0.026 0.000 0.300 171 F C 2.376 178.122 175.800 -0.090 0.000 1.089 171 F CA 1.358 59.242 58.000 -0.193 0.000 1.282 171 F CB -0.208 38.631 39.000 -0.269 0.000 1.010 171 F HN -0.285 nan 8.300 nan 0.000 0.485 172 R N 0.560 121.167 120.500 0.178 0.000 2.081 172 R HA -0.134 4.222 4.340 0.026 0.000 0.235 172 R C 2.181 178.478 176.300 -0.006 0.000 1.131 172 R CA 1.438 57.606 56.100 0.113 0.000 0.960 172 R CB -0.674 29.684 30.300 0.097 0.000 0.856 172 R HN 0.337 nan 8.270 nan 0.000 0.436 173 K N 0.562 120.947 120.400 -0.025 0.000 2.186 173 K HA -0.023 4.313 4.320 0.026 0.000 0.202 173 K C 1.915 178.459 176.600 -0.094 0.000 1.052 173 K CA 0.540 56.801 56.287 -0.044 0.000 0.965 173 K CB 0.179 32.667 32.500 -0.019 0.000 0.746 173 K HN 0.180 nan 8.250 nan 0.000 0.457 174 Q N 0.707 120.415 119.800 -0.153 0.000 2.541 174 Q HA -0.080 4.276 4.340 0.026 0.000 0.215 174 Q C -0.767 175.080 176.000 -0.255 0.000 0.977 174 Q CA 0.744 56.426 55.803 -0.201 0.000 0.934 174 Q CB -0.227 28.359 28.738 -0.253 0.000 0.988 174 Q HN 0.451 nan 8.270 nan 0.000 0.521 175 N N -2.436 116.111 118.700 -0.256 0.000 4.036 175 N HA 0.038 4.794 4.740 0.026 0.000 0.178 175 N C -2.778 172.652 175.510 -0.133 0.000 1.378 175 N CA -0.685 52.235 53.050 -0.217 0.000 0.851 175 N CB 0.649 38.948 38.487 -0.313 0.000 1.714 175 N HN -0.219 nan 8.380 nan 0.000 0.771 176 P HA -0.206 nan 4.420 nan 0.000 0.218 176 P C 0.796 178.096 177.300 0.001 0.000 1.149 176 P CA 1.350 64.438 63.100 -0.020 0.000 0.817 176 P CB 0.115 31.805 31.700 -0.018 0.000 0.785 177 D N 0.206 120.600 120.400 -0.009 0.000 2.357 177 D HA -0.141 4.515 4.640 0.026 0.000 0.216 177 D C 0.767 177.096 176.300 0.048 0.000 0.973 177 D CA 0.627 54.635 54.000 0.014 0.000 0.912 177 D CB -0.553 40.251 40.800 0.005 0.000 0.900 177 D HN 0.307 nan 8.370 nan 0.000 0.501 178 I N 1.749 122.356 120.570 0.061 0.000 2.371 178 I HA 0.113 4.299 4.170 0.026 0.000 0.282 178 I C -0.404 175.799 176.117 0.144 0.000 1.031 178 I CA -0.923 60.455 61.300 0.129 0.000 1.180 178 I CB 2.048 40.161 38.000 0.189 0.000 1.336 178 I HN -0.297 nan 8.210 nan 0.000 0.467 179 V N 7.485 127.471 119.914 0.120 0.000 2.455 179 V HA 0.296 4.432 4.120 0.026 0.000 0.273 179 V C 0.322 176.494 176.094 0.129 0.000 1.045 179 V CA -0.022 62.339 62.300 0.102 0.000 0.976 179 V CB 0.811 32.669 31.823 0.060 0.000 0.993 179 V HN 0.478 nan 8.190 nan 0.000 0.475 180 I N 5.382 126.031 120.570 0.132 0.000 2.433 180 I HA 0.446 4.632 4.170 0.026 0.000 0.292 180 I C -0.900 175.341 176.117 0.206 0.000 1.001 180 I CA -0.657 60.729 61.300 0.143 0.000 1.119 180 I CB 1.811 39.867 38.000 0.093 0.000 1.289 180 I HN 0.641 nan 8.210 nan 0.000 0.438 181 Y N 6.328 126.668 120.300 0.066 0.000 2.331 181 Y HA 0.335 4.901 4.550 0.027 0.000 0.334 181 Y C -0.509 175.481 175.900 0.150 0.000 0.960 181 Y CA -0.775 57.369 58.100 0.073 0.000 1.130 181 Y CB 1.365 39.826 38.460 0.000 0.000 1.164 181 Y HN 0.521 nan 8.280 nan 0.000 0.458 182 Q N 6.600 126.364 119.800 -0.060 0.000 2.274 182 Q HA 0.178 4.534 4.340 0.026 0.000 0.256 182 Q C -2.146 173.575 176.000 -0.466 0.000 0.927 182 Q CA -0.679 55.004 55.803 -0.200 0.000 0.939 182 Q CB 1.282 29.978 28.738 -0.070 0.000 1.201 182 Q HN 0.884 nan 8.270 nan 0.000 0.426 183 Y N 6.904 126.944 120.300 -0.434 0.000 2.373 183 Y HA 0.212 4.778 4.550 0.027 0.000 0.327 183 Y C 0.213 176.104 175.900 -0.015 0.000 1.036 183 Y CA -0.468 57.479 58.100 -0.254 0.000 1.265 183 Y CB 0.497 38.866 38.460 -0.152 0.000 1.108 183 Y HN 1.002 nan 8.280 nan 0.000 0.471 184 M N 1.246 120.621 119.600 -0.375 0.000 7.319 184 M HA -0.419 4.077 4.480 0.026 0.000 0.292 184 M C 0.088 176.310 176.300 -0.130 0.000 0.480 184 M CA 2.226 57.331 55.300 -0.325 0.000 1.311 184 M CB -1.035 31.195 32.600 -0.616 0.000 0.421 184 M HN 0.566 nan 8.290 nan 0.000 0.545 185 D N 0.630 120.884 120.400 -0.244 0.000 2.350 185 D HA 0.161 4.817 4.640 0.026 0.000 0.213 185 D C -0.378 175.841 176.300 -0.135 0.000 1.031 185 D CA 0.614 54.468 54.000 -0.243 0.000 0.861 185 D CB -0.046 40.536 40.800 -0.363 0.000 0.926 185 D HN 0.304 nan 8.370 nan 0.000 0.520 186 D N 0.052 120.383 120.400 -0.115 0.000 2.193 186 D HA 0.352 5.008 4.640 0.026 0.000 0.249 186 D C -0.028 176.176 176.300 -0.159 0.000 1.034 186 D CA -0.252 53.636 54.000 -0.186 0.000 0.902 186 D CB 1.799 42.454 40.800 -0.242 0.000 1.182 186 D HN -0.084 nan 8.370 nan 0.000 0.436 187 L N 2.417 123.483 121.223 -0.261 0.000 2.343 187 L HA 0.333 4.688 4.340 0.026 0.000 0.278 187 L C -1.183 175.556 176.870 -0.217 0.000 0.996 187 L CA -0.827 53.923 54.840 -0.150 0.000 0.831 187 L CB 0.851 42.843 42.059 -0.111 0.000 1.232 187 L HN 0.299 nan 8.230 nan 0.000 0.413 188 Y N 2.949 123.203 120.300 -0.077 0.000 2.331 188 Y HA 0.482 5.048 4.550 0.027 0.000 0.338 188 Y C 0.052 175.988 175.900 0.061 0.000 0.976 188 Y CA -0.710 57.375 58.100 -0.026 0.000 1.137 188 Y CB 1.766 40.193 38.460 -0.055 0.000 1.172 188 Y HN 0.142 nan 8.280 nan 0.000 0.478 189 V N 2.915 122.962 119.914 0.222 0.000 2.513 189 V HA 0.915 5.051 4.120 0.026 0.000 0.299 189 V C 0.220 176.491 176.094 0.296 0.000 1.035 189 V CA -0.733 61.695 62.300 0.213 0.000 0.889 189 V CB 1.542 33.451 31.823 0.142 0.000 0.988 189 V HN 0.905 nan 8.190 nan 0.000 0.440 190 G N 2.093 111.046 108.800 0.255 0.000 2.660 190 G HA2 0.834 4.810 3.960 0.026 0.000 0.294 190 G HA3 0.834 4.810 3.960 0.026 0.000 0.294 190 G C -0.879 174.154 174.900 0.222 0.000 1.369 190 G CA -0.088 45.144 45.100 0.220 0.000 0.912 190 G HN 1.171 nan 8.290 nan 0.000 0.479 191 S N -0.897 114.909 115.700 0.177 0.000 2.615 191 S HA 0.490 4.976 4.470 0.026 0.000 0.268 191 S C -1.522 173.131 174.600 0.088 0.000 1.146 191 S CA -0.771 57.530 58.200 0.169 0.000 0.818 191 S CB 2.133 65.512 63.200 0.299 0.000 1.111 191 S HN 0.341 nan 8.310 nan 0.000 0.465 192 D N 1.117 121.559 120.400 0.070 0.000 2.755 192 D HA 0.373 5.029 4.640 0.026 0.000 0.257 192 D C -0.214 176.114 176.300 0.048 0.000 1.291 192 D CA 0.061 54.085 54.000 0.039 0.000 0.836 192 D CB 0.142 40.956 40.800 0.022 0.000 1.059 192 D HN 0.405 nan 8.370 nan 0.000 0.486 193 L N 0.333 121.605 121.223 0.081 0.000 2.358 193 L HA 0.287 4.643 4.340 0.026 0.000 0.268 193 L C 1.024 177.938 176.870 0.074 0.000 1.032 193 L CA -0.971 53.917 54.840 0.081 0.000 0.805 193 L CB 1.152 43.279 42.059 0.114 0.000 1.253 193 L HN -0.221 nan 8.230 nan 0.000 0.452 194 E N 0.969 121.205 120.200 0.061 0.000 2.408 194 E HA 0.018 4.384 4.350 0.026 0.000 0.259 194 E C 1.116 177.762 176.600 0.077 0.000 1.110 194 E CA 0.015 56.444 56.400 0.050 0.000 0.929 194 E CB 0.838 30.561 29.700 0.038 0.000 0.971 194 E HN 0.558 nan 8.360 nan 0.000 0.438 195 I N -0.971 119.632 120.570 0.054 0.000 2.248 195 I HA -0.194 3.991 4.170 0.026 0.000 0.248 195 I C 1.727 177.910 176.117 0.111 0.000 1.107 195 I CA 1.912 63.256 61.300 0.073 0.000 1.373 195 I CB -0.633 37.389 38.000 0.037 0.000 1.055 195 I HN 0.439 nan 8.210 nan 0.000 0.418 196 G N 0.698 109.546 108.800 0.079 0.000 2.433 196 G HA2 -0.217 3.759 3.960 0.026 0.000 0.216 196 G HA3 -0.217 3.759 3.960 0.026 0.000 0.216 196 G C 1.590 176.540 174.900 0.084 0.000 1.186 196 G CA 0.826 45.969 45.100 0.072 0.000 0.779 196 G HN 0.554 nan 8.290 nan 0.000 0.543 197 Q N -0.524 119.325 119.800 0.082 0.000 2.030 197 Q HA -0.209 4.147 4.340 0.026 0.000 0.204 197 Q C 2.271 178.331 176.000 0.099 0.000 0.986 197 Q CA 1.753 57.602 55.803 0.075 0.000 0.843 197 Q CB -0.409 28.368 28.738 0.065 0.000 0.904 197 Q HN 0.755 nan 8.270 nan 0.000 0.420 198 H N 0.810 119.909 119.070 0.049 0.000 2.319 198 H HA -0.139 4.433 4.556 0.027 0.000 0.297 198 H C 2.255 177.628 175.328 0.075 0.000 1.097 198 H CA 2.039 58.127 56.048 0.066 0.000 1.285 198 H CB 0.058 29.856 29.762 0.061 0.000 1.368 198 H HN 0.018 nan 8.280 nan 0.000 0.495 199 R N -0.162 120.457 120.500 0.199 0.000 2.105 199 R HA -0.130 4.225 4.340 0.026 0.000 0.239 199 R C 1.801 178.131 176.300 0.050 0.000 1.135 199 R CA 2.015 58.196 56.100 0.136 0.000 0.967 199 R CB -0.571 29.808 30.300 0.132 0.000 0.861 199 R HN 0.443 nan 8.270 nan 0.000 0.442 200 T N 1.426 116.008 114.554 0.047 0.000 2.737 200 T HA -0.044 4.322 4.350 0.026 0.000 0.265 200 T C 1.756 176.476 174.700 0.034 0.000 1.038 200 T CA 0.953 63.077 62.100 0.040 0.000 1.144 200 T CB -0.017 68.875 68.868 0.040 0.000 0.866 200 T HN 0.157 nan 8.240 nan 0.000 0.434 201 K N 1.015 121.421 120.400 0.011 0.000 2.097 201 K HA 0.027 4.363 4.320 0.026 0.000 0.206 201 K C 2.216 178.854 176.600 0.064 0.000 1.049 201 K CA 0.718 57.035 56.287 0.050 0.000 0.933 201 K CB -0.642 31.863 32.500 0.008 0.000 0.717 201 K HN 0.281 nan 8.250 nan 0.000 0.442 202 I N 1.375 121.897 120.570 -0.081 0.000 2.099 202 I HA -0.267 3.919 4.170 0.026 0.000 0.239 202 I C 2.394 178.509 176.117 -0.003 0.000 1.066 202 I CA 1.415 62.669 61.300 -0.077 0.000 1.324 202 I CB -1.142 36.817 38.000 -0.068 0.000 1.037 202 I HN 0.211 nan 8.210 nan 0.000 0.401 203 E N 1.162 121.377 120.200 0.025 0.000 2.130 203 E HA -0.278 4.088 4.350 0.026 0.000 0.196 203 E C 2.129 178.770 176.600 0.068 0.000 0.998 203 E CA 1.866 58.292 56.400 0.043 0.000 0.806 203 E CB -0.265 29.463 29.700 0.047 0.000 0.738 203 E HN 0.482 nan 8.360 nan 0.000 0.459 204 E N -0.336 119.926 120.200 0.104 0.000 2.051 204 E HA -0.171 4.195 4.350 0.026 0.000 0.192 204 E C 2.219 178.937 176.600 0.196 0.000 0.991 204 E CA 1.068 57.571 56.400 0.171 0.000 0.799 204 E CB -0.226 29.611 29.700 0.228 0.000 0.748 204 E HN 0.363 nan 8.360 nan 0.000 0.449 205 L N 0.639 121.919 121.223 0.094 0.000 1.989 205 L HA -0.227 4.128 4.340 0.026 0.000 0.211 205 L C 2.884 179.742 176.870 -0.018 0.000 1.071 205 L CA 1.388 56.113 54.840 -0.192 0.000 0.749 205 L CB -0.318 41.443 42.059 -0.497 0.000 0.890 205 L HN 0.173 nan 8.230 nan 0.000 0.431 206 R N -0.393 120.103 120.500 -0.006 0.000 2.113 206 R HA -0.258 4.098 4.340 0.026 0.000 0.244 206 R C 2.208 178.544 176.300 0.061 0.000 1.142 206 R CA 2.170 58.281 56.100 0.019 0.000 0.953 206 R CB -0.183 30.128 30.300 0.019 0.000 0.860 206 R HN 0.519 nan 8.270 nan 0.000 0.438 207 Q N -1.508 118.344 119.800 0.087 0.000 2.230 207 Q HA -0.157 4.199 4.340 0.026 0.000 0.202 207 Q C 2.019 178.100 176.000 0.136 0.000 0.963 207 Q CA 0.944 56.803 55.803 0.093 0.000 0.866 207 Q CB -0.057 28.733 28.738 0.087 0.000 0.931 207 Q HN 0.550 nan 8.270 nan 0.000 0.452 208 H N 0.871 120.002 119.070 0.101 0.000 2.326 208 H HA -0.072 4.500 4.556 0.026 0.000 0.301 208 H C 1.971 177.456 175.328 0.262 0.000 1.081 208 H CA 1.114 57.267 56.048 0.176 0.000 1.334 208 H CB 0.107 29.990 29.762 0.202 0.000 1.385 208 H HN 0.196 nan 8.280 nan 0.000 0.504 209 L N 0.395 121.707 121.223 0.149 0.000 2.012 209 L HA -0.214 4.141 4.340 0.026 0.000 0.210 209 L C 2.869 179.821 176.870 0.137 0.000 1.073 209 L CA 0.847 55.761 54.840 0.124 0.000 0.748 209 L CB -0.524 41.577 42.059 0.070 0.000 0.891 209 L HN 0.226 nan 8.230 nan 0.000 0.431 210 L N 0.116 121.388 121.223 0.082 0.000 2.261 210 L HA -0.195 4.161 4.340 0.026 0.000 0.216 210 L C 2.560 179.437 176.870 0.011 0.000 1.114 210 L CA 1.503 56.375 54.840 0.053 0.000 0.777 210 L CB -0.538 41.544 42.059 0.037 0.000 0.910 210 L HN 0.121 nan 8.230 nan 0.000 0.440 211 R N -1.865 118.611 120.500 -0.040 0.000 2.323 211 R HA -0.127 4.229 4.340 0.026 0.000 0.198 211 R C 0.426 176.478 176.300 -0.413 0.000 0.988 211 R CA 0.681 56.642 56.100 -0.232 0.000 1.041 211 R CB -0.043 30.063 30.300 -0.323 0.000 0.926 211 R HN 0.482 nan 8.270 nan 0.000 0.476 212 W N -1.363 119.876 121.300 -0.102 0.000 2.467 212 W HA 0.350 5.026 4.660 0.027 0.000 0.369 212 W C 1.047 177.556 176.519 -0.017 0.000 0.938 212 W CA 0.248 57.552 57.345 -0.068 0.000 1.845 212 W CB 1.124 30.524 29.460 -0.099 0.000 1.167 212 W HN 0.231 nan 8.180 nan 0.000 0.558 213 G N 0.876 109.765 108.800 0.148 0.000 3.079 213 G HA2 -0.325 3.650 3.960 0.026 0.000 0.214 213 G HA3 -0.325 3.650 3.960 0.026 0.000 0.214 213 G C 0.338 175.308 174.900 0.118 0.000 1.335 213 G CA -0.089 45.083 45.100 0.121 0.000 0.822 213 G HN 0.037 nan 8.290 nan 0.000 0.545 214 L N 2.292 123.606 121.223 0.152 0.000 2.706 214 L HA 0.357 4.713 4.340 0.026 0.000 0.282 214 L C 0.977 177.894 176.870 0.079 0.000 1.219 214 L CA 1.077 55.991 54.840 0.122 0.000 0.935 214 L CB 0.258 42.403 42.059 0.143 0.000 1.204 214 L HN 0.485 nan 8.230 nan 0.000 0.491 215 T N 2.191 116.774 114.554 0.048 0.000 2.930 215 T HA 0.552 4.918 4.350 0.026 0.000 0.290 215 T C -0.308 174.394 174.700 0.005 0.000 1.052 215 T CA -0.384 61.733 62.100 0.028 0.000 1.017 215 T CB 1.695 70.578 68.868 0.024 0.000 1.137 215 T HN 0.576 nan 8.240 nan 0.000 0.511 216 T N 4.562 119.118 114.554 0.003 0.000 2.829 216 T HA 0.595 4.961 4.350 0.026 0.000 0.280 216 T C -2.195 172.508 174.700 0.005 0.000 0.999 216 T CA -0.858 61.236 62.100 -0.010 0.000 0.983 216 T CB 1.554 70.416 68.868 -0.010 0.000 0.968 216 T HN 0.607 nan 8.240 nan 0.000 0.446 217 P HA 0.105 nan 4.420 nan 0.000 0.278 217 P C -0.331 177.019 177.300 0.084 0.000 1.270 217 P CA -0.214 62.926 63.100 0.067 0.000 0.800 217 P CB 0.469 32.222 31.700 0.089 0.000 1.142 218 D N -0.540 119.932 120.400 0.119 0.000 2.376 218 D HA 0.079 4.735 4.640 0.026 0.000 0.281 218 D C 0.951 177.264 176.300 0.022 0.000 1.215 218 D CA -0.134 53.895 54.000 0.049 0.000 1.062 218 D CB -0.039 40.772 40.800 0.018 0.000 1.124 218 D HN 0.244 nan 8.370 nan 0.000 0.550 219 K N -1.108 119.285 120.400 -0.011 0.000 2.418 219 K HA 0.022 4.358 4.320 0.026 0.000 0.195 219 K C 1.655 178.224 176.600 -0.051 0.000 1.035 219 K CA 0.576 56.854 56.287 -0.014 0.000 1.003 219 K CB 0.034 32.529 32.500 -0.009 0.000 0.793 219 K HN 0.178 nan 8.250 nan 0.000 0.494 220 K N -0.043 120.274 120.400 -0.139 0.000 2.076 220 K HA -0.008 4.328 4.320 0.026 0.000 0.204 220 K C 1.799 178.261 176.600 -0.229 0.000 1.051 220 K CA 0.955 57.104 56.287 -0.230 0.000 0.949 220 K CB -0.018 32.252 32.500 -0.383 0.000 0.726 220 K HN 0.172 nan 8.250 nan 0.000 0.443 221 H N 0.735 119.801 119.070 -0.008 0.000 2.448 221 H HA 0.105 4.677 4.556 0.026 0.000 0.292 221 H C 0.337 175.657 175.328 -0.013 0.000 1.035 221 H CA 0.367 56.405 56.048 -0.017 0.000 1.349 221 H CB 0.035 29.777 29.762 -0.033 0.000 1.425 221 H HN 0.128 nan 8.280 nan 0.000 0.539 222 Q N 2.159 122.014 119.800 0.092 0.000 2.431 222 Q HA -0.082 4.274 4.340 0.026 0.000 0.349 222 Q C 0.146 176.186 176.000 0.067 0.000 1.119 222 Q CA 1.059 56.898 55.803 0.060 0.000 1.065 222 Q CB 0.543 29.312 28.738 0.051 0.000 1.149 222 Q HN 0.405 nan 8.270 nan 0.000 0.403 223 K N 2.495 122.933 120.400 0.063 0.000 2.164 223 K HA 0.393 4.728 4.320 0.026 0.000 0.258 223 K C -0.265 176.484 176.600 0.249 0.000 0.951 223 K CA -0.681 55.676 56.287 0.116 0.000 0.844 223 K CB 1.322 33.832 32.500 0.016 0.000 1.099 223 K HN 0.365 nan 8.250 nan 0.000 0.435 224 E N 2.200 122.587 120.200 0.311 0.000 2.272 224 E HA 0.317 4.682 4.350 0.026 0.000 0.269 224 E C -2.558 174.191 176.600 0.248 0.000 0.877 224 E CA -2.265 54.309 56.400 0.292 0.000 0.755 224 E CB 1.641 31.429 29.700 0.146 0.000 1.192 224 E HN 0.331 nan 8.360 nan 0.000 0.422 225 P HA 0.021 nan 4.420 nan 0.000 0.269 225 P C -2.163 175.057 177.300 -0.133 0.000 1.205 225 P CA -0.496 62.321 63.100 -0.472 0.000 0.780 225 P CB -0.198 31.169 31.700 -0.556 0.000 0.858 226 P HA 0.213 nan 4.420 nan 0.000 0.274 226 P C -1.028 176.201 177.300 -0.118 0.000 1.256 226 P CA 0.043 62.899 63.100 -0.407 0.000 0.795 226 P CB 0.464 31.705 31.700 -0.764 0.000 1.038 227 F N -0.520 119.459 119.950 0.049 0.000 2.422 227 F HA 0.347 4.890 4.527 0.026 0.000 0.333 227 F C 0.738 176.659 175.800 0.201 0.000 1.095 227 F CA -1.233 56.862 58.000 0.160 0.000 1.038 227 F CB 0.582 39.715 39.000 0.221 0.000 1.156 227 F HN 0.012 nan 8.300 nan 0.000 0.483 228 L N 3.474 124.962 121.223 0.442 0.000 2.385 228 L HA 0.108 4.464 4.340 0.026 0.000 0.285 228 L C -0.578 176.541 176.870 0.416 0.000 1.125 228 L CA 0.001 55.044 54.840 0.339 0.000 0.890 228 L CB 0.228 42.425 42.059 0.230 0.000 1.251 228 L HN 0.611 nan 8.230 nan 0.000 0.445 229 W N 6.756 128.152 121.300 0.160 0.000 2.299 229 W HA 0.238 4.913 4.660 0.026 0.000 0.319 229 W C -0.339 176.264 176.519 0.140 0.000 1.008 229 W CA -1.298 56.093 57.345 0.076 0.000 1.384 229 W CB 1.354 30.820 29.460 0.009 0.000 1.220 229 W HN 0.452 nan 8.180 nan 0.000 0.402 230 M N 5.022 124.461 119.600 -0.268 0.000 2.983 230 M HA -0.239 4.257 4.480 0.026 0.000 0.168 230 M C 1.105 177.566 176.300 0.269 0.000 1.270 230 M CA 2.080 57.320 55.300 -0.099 0.000 0.758 230 M CB -1.242 31.153 32.600 -0.343 0.000 1.227 230 M HN 0.799 nan 8.290 nan 0.000 0.722 231 G N -1.195 107.738 108.800 0.222 0.000 2.199 231 G HA2 -0.306 3.670 3.960 0.026 0.000 0.254 231 G HA3 -0.306 3.670 3.960 0.026 0.000 0.254 231 G C -0.250 174.612 174.900 -0.064 0.000 0.982 231 G CA 0.244 45.451 45.100 0.178 0.000 0.632 231 G HN 0.657 nan 8.290 nan 0.000 0.529 232 Y N 0.150 120.562 120.300 0.187 0.000 2.562 232 Y HA 0.663 5.228 4.550 0.025 0.000 0.343 232 Y C 0.371 176.417 175.900 0.243 0.000 1.025 232 Y CA -1.085 57.148 58.100 0.222 0.000 1.082 232 Y CB 1.502 40.069 38.460 0.178 0.000 1.264 232 Y HN 0.076 nan 8.280 nan 0.000 0.478 233 E N 2.073 122.518 120.200 0.408 0.000 2.092 233 E HA 0.314 4.680 4.350 0.026 0.000 0.271 233 E C -1.491 175.223 176.600 0.190 0.000 0.919 233 E CA -0.759 55.778 56.400 0.229 0.000 0.760 233 E CB 0.967 30.756 29.700 0.148 0.000 1.106 233 E HN 0.291 nan 8.360 nan 0.000 0.408 234 L N 5.017 126.334 121.223 0.158 0.000 2.295 234 L HA 0.163 4.519 4.340 0.026 0.000 0.288 234 L C -0.141 176.680 176.870 -0.082 0.000 1.079 234 L CA -0.081 54.864 54.840 0.175 0.000 0.830 234 L CB -0.071 42.128 42.059 0.234 0.000 1.200 234 L HN 0.456 nan 8.230 nan 0.000 0.438 235 H N 5.537 124.735 119.070 0.214 0.000 2.458 235 H HA 0.260 4.832 4.556 0.026 0.000 0.330 235 H C -1.497 173.951 175.328 0.200 0.000 1.111 235 H CA -1.718 54.391 56.048 0.100 0.000 1.245 235 H CB 1.471 31.282 29.762 0.083 0.000 1.456 235 H HN 0.374 nan 8.280 nan 0.000 0.488 236 P HA -0.191 nan 4.420 nan 0.000 0.219 236 P C 0.442 177.881 177.300 0.231 0.000 1.144 236 P CA 1.530 64.696 63.100 0.111 0.000 0.806 236 P CB 0.383 32.087 31.700 0.006 0.000 0.771 237 D N -2.442 118.142 120.400 0.308 0.000 2.540 237 D HA 0.188 4.844 4.640 0.026 0.000 0.229 237 D C 0.300 176.751 176.300 0.253 0.000 1.250 237 D CA -0.312 53.868 54.000 0.300 0.000 0.817 237 D CB 0.328 41.206 40.800 0.131 0.000 1.060 237 D HN 0.179 nan 8.370 nan 0.000 0.508 238 K N 0.343 120.907 120.400 0.274 0.000 2.675 238 K HA 0.284 4.620 4.320 0.026 0.000 0.280 238 K C -1.721 174.896 176.600 0.029 0.000 0.993 238 K CA -0.811 55.410 56.287 -0.110 0.000 0.863 238 K CB 1.418 33.847 32.500 -0.117 0.000 1.438 238 K HN 0.080 nan 8.250 nan 0.000 0.389 239 W N 1.677 122.882 121.300 -0.159 0.000 2.689 239 W HA 0.622 5.297 4.660 0.024 0.000 0.340 239 W C -0.985 175.664 176.519 0.216 0.000 1.060 239 W CA -0.872 56.525 57.345 0.086 0.000 1.218 239 W CB 1.150 30.610 29.460 -0.000 0.000 1.410 239 W HN 0.637 nan 8.180 nan 0.000 0.528 240 T N -0.896 113.985 114.554 0.544 0.000 2.893 240 T HA 0.487 4.853 4.350 0.026 0.000 0.293 240 T C -0.880 174.122 174.700 0.502 0.000 1.027 240 T CA -0.651 61.685 62.100 0.393 0.000 0.988 240 T CB 1.859 70.926 68.868 0.332 0.000 1.043 240 T HN 0.360 nan 8.240 nan 0.000 0.461 241 V N 3.575 123.733 119.914 0.406 0.000 2.572 241 V HA 0.196 4.332 4.120 0.026 0.000 0.291 241 V C 0.947 177.137 176.094 0.161 0.000 1.039 241 V CA -0.425 62.003 62.300 0.214 0.000 1.055 241 V CB 0.951 32.848 31.823 0.123 0.000 0.969 241 V HN 1.001 nan 8.190 nan 0.000 0.482 242 Q N 6.279 126.137 119.800 0.097 0.000 2.262 242 Q HA 0.130 4.486 4.340 0.026 0.000 0.272 242 Q C -2.274 173.779 176.000 0.088 0.000 1.076 242 Q CA -1.370 54.492 55.803 0.098 0.000 0.905 242 Q CB 0.673 29.453 28.738 0.070 0.000 1.182 242 Q HN 0.515 nan 8.270 nan 0.000 0.390 243 P HA -0.040 nan 4.420 nan 0.000 0.263 243 P C -0.788 176.534 177.300 0.037 0.000 1.195 243 P CA 0.131 63.284 63.100 0.088 0.000 0.762 243 P CB 0.188 31.932 31.700 0.073 0.000 0.799 244 I N 2.769 123.353 120.570 0.024 0.000 2.331 244 I HA 0.348 4.534 4.170 0.026 0.000 0.292 244 I C -0.116 175.977 176.117 -0.040 0.000 0.998 244 I CA -1.056 60.224 61.300 -0.032 0.000 1.267 244 I CB 0.913 38.880 38.000 -0.056 0.000 1.386 244 I HN 0.016 nan 8.210 nan 0.000 0.476 245 V N 5.415 125.306 119.914 -0.039 0.000 2.407 245 V HA 0.534 4.670 4.120 0.026 0.000 0.278 245 V C -0.071 176.011 176.094 -0.018 0.000 1.037 245 V CA -0.760 61.524 62.300 -0.027 0.000 0.900 245 V CB 1.270 33.081 31.823 -0.021 0.000 0.983 245 V HN 0.659 nan 8.190 nan 0.000 0.459 246 L N 7.451 128.674 121.223 0.001 0.000 2.255 246 L HA 0.471 4.827 4.340 0.026 0.000 0.289 246 L C -1.645 175.270 176.870 0.075 0.000 1.046 246 L CA -1.678 53.191 54.840 0.048 0.000 0.816 246 L CB 1.498 43.590 42.059 0.054 0.000 1.197 246 L HN 0.579 nan 8.230 nan 0.000 0.427 247 P HA -0.120 nan 4.420 nan 0.000 0.268 247 P C -0.593 176.713 177.300 0.009 0.000 1.189 247 P CA 0.019 63.113 63.100 -0.011 0.000 0.771 247 P CB 0.829 32.472 31.700 -0.095 0.000 0.822 248 E N 1.339 121.493 120.200 -0.077 0.000 2.916 248 E HA 0.236 4.602 4.350 0.026 0.000 0.217 248 E C -0.717 175.774 176.600 -0.182 0.000 1.100 248 E CA -0.531 55.840 56.400 -0.047 0.000 0.891 248 E CB 0.001 29.692 29.700 -0.016 0.000 1.311 248 E HN 0.194 nan 8.360 nan 0.000 0.421 249 K N 1.039 121.180 120.400 -0.432 0.000 2.168 249 K HA 0.382 4.718 4.320 0.026 0.000 0.239 249 K C 0.029 176.384 176.600 -0.409 0.000 0.999 249 K CA -0.768 55.186 56.287 -0.554 0.000 0.900 249 K CB 1.000 32.931 32.500 -0.948 0.000 1.111 249 K HN 0.133 nan 8.250 nan 0.000 0.452 250 D N -0.270 119.954 120.400 -0.293 0.000 2.417 250 D HA -0.002 4.654 4.640 0.026 0.000 0.207 250 D C -0.456 175.790 176.300 -0.090 0.000 1.075 250 D CA 0.554 54.481 54.000 -0.121 0.000 0.851 250 D CB 0.572 41.329 40.800 -0.071 0.000 0.976 250 D HN 0.462 nan 8.370 nan 0.000 0.505 251 S N -0.067 115.507 115.700 -0.210 0.000 2.775 251 S HA 0.432 4.918 4.470 0.026 0.000 0.277 251 S C -1.178 173.342 174.600 -0.133 0.000 1.156 251 S CA -0.935 57.219 58.200 -0.077 0.000 1.081 251 S CB 0.113 63.283 63.200 -0.050 0.000 1.054 251 S HN -0.007 nan 8.310 nan 0.000 0.482 252 W N 2.964 124.257 121.300 -0.011 0.000 2.335 252 W HA 0.529 5.206 4.660 0.028 0.000 0.307 252 W C 0.948 177.461 176.519 -0.010 0.000 1.117 252 W CA -0.443 56.895 57.345 -0.012 0.000 1.228 252 W CB 1.277 30.730 29.460 -0.012 0.000 1.240 252 W HN 0.751 nan 8.180 nan 0.000 0.468 253 T N -1.502 113.164 114.554 0.188 0.000 2.881 253 T HA 0.260 4.626 4.350 0.026 0.000 0.278 253 T C 0.964 175.737 174.700 0.123 0.000 0.982 253 T CA -0.817 61.353 62.100 0.116 0.000 0.989 253 T CB 1.281 70.186 68.868 0.060 0.000 1.058 253 T HN 0.213 nan 8.240 nan 0.000 0.529 254 V N 1.898 121.859 119.914 0.077 0.000 2.252 254 V HA -0.249 3.887 4.120 0.026 0.000 0.249 254 V C 2.691 178.822 176.094 0.062 0.000 1.056 254 V CA 2.415 64.751 62.300 0.059 0.000 1.022 254 V CB -1.393 30.453 31.823 0.038 0.000 0.641 254 V HN 0.913 nan 8.190 nan 0.000 0.445 255 N N 0.021 118.753 118.700 0.055 0.000 2.037 255 N HA -0.243 4.513 4.740 0.026 0.000 0.196 255 N C 1.550 177.103 175.510 0.072 0.000 1.034 255 N CA 1.751 54.831 53.050 0.049 0.000 0.861 255 N CB -0.256 38.252 38.487 0.036 0.000 1.039 255 N HN 0.531 nan 8.380 nan 0.000 0.427 256 D N 0.769 121.235 120.400 0.109 0.000 2.123 256 D HA -0.144 4.511 4.640 0.026 0.000 0.196 256 D C 1.983 178.417 176.300 0.223 0.000 0.992 256 D CA 0.966 55.077 54.000 0.185 0.000 0.833 256 D CB -0.271 40.685 40.800 0.261 0.000 0.954 256 D HN 0.399 nan 8.370 nan 0.000 0.455 257 I N 0.786 121.454 120.570 0.164 0.000 2.252 257 I HA -0.241 3.945 4.170 0.026 0.000 0.245 257 I C 2.507 178.638 176.117 0.024 0.000 1.102 257 I CA 0.932 62.262 61.300 0.050 0.000 1.385 257 I CB -0.316 37.679 38.000 -0.008 0.000 1.064 257 I HN -0.045 nan 8.210 nan 0.000 0.414 258 Q N 0.955 120.776 119.800 0.036 0.000 2.124 258 Q HA -0.189 4.167 4.340 0.026 0.000 0.202 258 Q C 2.099 178.116 176.000 0.029 0.000 0.977 258 Q CA 1.286 57.104 55.803 0.025 0.000 0.850 258 Q CB -0.052 28.701 28.738 0.026 0.000 0.901 258 Q HN 0.502 nan 8.270 nan 0.000 0.429 259 K N 0.164 120.589 120.400 0.041 0.000 2.296 259 K HA -0.082 4.254 4.320 0.026 0.000 0.200 259 K C 1.963 178.582 176.600 0.033 0.000 1.048 259 K CA 0.411 56.717 56.287 0.032 0.000 0.966 259 K CB 0.028 32.547 32.500 0.032 0.000 0.754 259 K HN 0.078 nan 8.250 nan 0.000 0.466 260 L N 0.937 122.192 121.223 0.053 0.000 2.023 260 L HA -0.112 4.244 4.340 0.026 0.000 0.205 260 L C 2.006 178.877 176.870 0.002 0.000 1.073 260 L CA 1.407 56.272 54.840 0.042 0.000 0.745 260 L CB -0.355 41.725 42.059 0.035 0.000 0.900 260 L HN -0.167 nan 8.230 nan 0.000 0.435 261 V N 0.488 120.397 119.914 -0.008 0.000 2.392 261 V HA -0.251 3.885 4.120 0.026 0.000 0.249 261 V C 2.616 178.723 176.094 0.022 0.000 1.059 261 V CA 1.801 64.098 62.300 -0.005 0.000 1.051 261 V CB -1.742 30.076 31.823 -0.008 0.000 0.658 261 V HN 0.660 nan 8.190 nan 0.000 0.455 262 G N -0.488 108.328 108.800 0.027 0.000 2.480 262 G HA2 -0.345 3.630 3.960 0.026 0.000 0.216 262 G HA3 -0.345 3.630 3.960 0.026 0.000 0.216 262 G C 1.625 176.557 174.900 0.053 0.000 1.200 262 G CA 1.230 46.358 45.100 0.046 0.000 0.782 262 G HN 0.476 nan 8.290 nan 0.000 0.554 263 K N -0.455 119.945 120.400 0.001 0.000 2.020 263 K HA -0.080 4.256 4.320 0.026 0.000 0.212 263 K C 2.527 179.145 176.600 0.030 0.000 1.050 263 K CA 1.135 57.396 56.287 -0.044 0.000 0.929 263 K CB -0.290 32.166 32.500 -0.073 0.000 0.714 263 K HN 0.152 nan 8.250 nan 0.000 0.443 264 L N 1.930 123.169 121.223 0.026 0.000 2.043 264 L HA -0.262 4.094 4.340 0.026 0.000 0.212 264 L C 2.263 179.190 176.870 0.095 0.000 1.075 264 L CA 1.721 56.584 54.840 0.038 0.000 0.752 264 L CB -1.631 40.429 42.059 0.003 0.000 0.891 264 L HN 0.471 nan 8.230 nan 0.000 0.432 265 N N -0.909 117.853 118.700 0.105 0.000 2.120 265 N HA -0.244 4.511 4.740 0.026 0.000 0.188 265 N C 1.887 177.521 175.510 0.206 0.000 1.024 265 N CA 1.413 54.539 53.050 0.127 0.000 0.852 265 N CB -0.114 38.439 38.487 0.110 0.000 1.003 265 N HN 0.495 nan 8.380 nan 0.000 0.424 266 W N 2.280 123.593 121.300 0.020 0.000 2.381 266 W HA -0.010 4.666 4.660 0.026 0.000 0.301 266 W C 1.973 178.514 176.519 0.038 0.000 1.205 266 W CA 1.590 58.947 57.345 0.020 0.000 1.285 266 W CB -0.850 28.613 29.460 0.006 0.000 1.133 266 W HN 0.045 nan 8.180 nan 0.000 0.521 267 A N 0.591 123.732 122.820 0.535 0.000 1.978 267 A HA -0.235 4.101 4.320 0.026 0.000 0.220 267 A C 2.211 180.009 177.584 0.357 0.000 1.170 267 A CA 2.366 54.694 52.037 0.483 0.000 0.636 267 A CB -1.375 17.788 19.000 0.272 0.000 0.810 267 A HN 0.327 nan 8.150 nan 0.000 0.448 268 S N -0.914 114.916 115.700 0.216 0.000 2.420 268 S HA -0.233 4.253 4.470 0.026 0.000 0.237 268 S C 2.133 176.768 174.600 0.058 0.000 1.023 268 S CA 1.688 59.964 58.200 0.128 0.000 0.991 268 S CB -0.389 62.861 63.200 0.083 0.000 0.792 268 S HN 0.634 nan 8.310 nan 0.000 0.488 269 Q N 0.479 120.287 119.800 0.013 0.000 2.016 269 Q HA -0.017 4.339 4.340 0.026 0.000 0.200 269 Q C 2.296 178.215 176.000 -0.134 0.000 0.978 269 Q CA 1.574 57.307 55.803 -0.116 0.000 0.833 269 Q CB -0.487 28.130 28.738 -0.201 0.000 0.895 269 Q HN 0.637 nan 8.270 nan 0.000 0.427 270 I N -0.933 119.579 120.570 -0.097 0.000 2.353 270 I HA -0.183 4.003 4.170 0.026 0.000 0.248 270 I C 0.262 176.200 176.117 -0.298 0.000 1.119 270 I CA 0.743 61.915 61.300 -0.213 0.000 1.417 270 I CB 0.012 37.833 38.000 -0.299 0.000 1.078 270 I HN 0.023 nan 8.210 nan 0.000 0.421 271 Y N 1.955 122.264 120.300 0.014 0.000 2.587 271 Y HA 0.292 4.857 4.550 0.025 0.000 0.328 271 Y C -1.698 174.195 175.900 -0.011 0.000 0.980 271 Y CA -2.541 55.564 58.100 0.008 0.000 1.272 271 Y CB 0.253 38.727 38.460 0.023 0.000 1.094 271 Y HN -0.042 nan 8.280 nan 0.000 0.503 272 P HA -0.027 nan 4.420 nan 0.000 0.242 272 P C 1.209 178.537 177.300 0.046 0.000 1.197 272 P CA 0.779 63.901 63.100 0.036 0.000 0.765 272 P CB 0.380 32.073 31.700 -0.012 0.000 0.936 273 G N 0.062 108.908 108.800 0.076 0.000 2.712 273 G HA2 0.004 3.979 3.960 0.026 0.000 0.212 273 G HA3 0.004 3.979 3.960 0.026 0.000 0.212 273 G C 0.793 175.709 174.900 0.026 0.000 1.142 273 G CA -0.071 45.055 45.100 0.044 0.000 0.789 273 G HN 0.132 nan 8.290 nan 0.000 0.535 274 I N 0.888 121.481 120.570 0.039 0.000 2.692 274 I HA 0.227 4.412 4.170 0.026 0.000 0.284 274 I C 0.237 176.356 176.117 0.004 0.000 1.159 274 I CA 0.354 61.660 61.300 0.011 0.000 1.423 274 I CB 0.721 38.737 38.000 0.027 0.000 1.380 274 I HN 0.028 nan 8.210 nan 0.000 0.580 275 K N 3.844 124.236 120.400 -0.014 0.000 2.435 275 K HA 0.601 4.937 4.320 0.026 0.000 0.251 275 K C -0.051 176.532 176.600 -0.029 0.000 0.954 275 K CA -0.557 55.719 56.287 -0.018 0.000 0.820 275 K CB 2.898 35.384 32.500 -0.024 0.000 1.292 275 K HN 0.418 nan 8.250 nan 0.000 0.436 276 V N -1.953 117.944 119.914 -0.028 0.000 3.440 276 V HA 0.194 4.330 4.120 0.026 0.000 0.301 276 V C 1.455 177.523 176.094 -0.042 0.000 1.555 276 V CA -0.296 61.980 62.300 -0.040 0.000 1.095 276 V CB 0.255 32.062 31.823 -0.026 0.000 0.936 276 V HN 0.706 nan 8.190 nan 0.000 0.452 277 R N 0.813 121.292 120.500 -0.035 0.000 2.143 277 R HA -0.194 4.162 4.340 0.026 0.000 0.239 277 R C 2.290 178.564 176.300 -0.044 0.000 1.126 277 R CA 2.811 58.892 56.100 -0.033 0.000 0.927 277 R CB -0.246 30.037 30.300 -0.029 0.000 0.860 277 R HN 0.551 nan 8.270 nan 0.000 0.433 278 Q N -0.015 119.753 119.800 -0.054 0.000 2.297 278 Q HA -0.086 4.270 4.340 0.026 0.000 0.208 278 Q C 0.877 176.823 176.000 -0.090 0.000 0.981 278 Q CA 0.752 56.515 55.803 -0.066 0.000 0.876 278 Q CB -0.129 28.568 28.738 -0.068 0.000 0.921 278 Q HN 0.217 nan 8.270 nan 0.000 0.446 282 L N 1.624 122.819 121.223 -0.047 0.000 2.197 282 L HA -0.166 4.190 4.340 0.026 0.000 0.215 282 L C 1.593 178.449 176.870 -0.023 0.000 1.095 282 L CA 1.570 56.385 54.840 -0.042 0.000 0.764 282 L CB -0.421 41.597 42.059 -0.069 0.000 0.897 282 L HN 0.250 nan 8.230 nan 0.000 0.436 283 L N -0.809 120.402 121.223 -0.020 0.000 2.610 283 L HA 0.000 4.356 4.340 0.026 0.000 0.232 283 L C 0.993 177.861 176.870 -0.003 0.000 1.149 283 L CA 0.503 55.338 54.840 -0.007 0.000 0.872 283 L CB -1.246 40.810 42.059 -0.005 0.000 0.992 283 L HN 0.236 nan 8.230 nan 0.000 0.447 284 R N 0.216 120.712 120.500 -0.007 0.000 2.484 284 R HA 0.240 4.596 4.340 0.026 0.000 0.293 284 R C 1.299 177.599 176.300 -0.001 0.000 1.023 284 R CA 0.646 56.743 56.100 -0.004 0.000 1.037 284 R CB -0.038 30.258 30.300 -0.007 0.000 0.951 284 R HN 0.324 nan 8.270 nan 0.000 0.418 285 G N 2.324 111.125 108.800 0.001 0.000 2.187 285 G HA2 -0.345 3.631 3.960 0.026 0.000 0.261 285 G HA3 -0.345 3.631 3.960 0.026 0.000 0.261 285 G C 0.304 175.207 174.900 0.005 0.000 1.000 285 G CA 0.753 45.855 45.100 0.003 0.000 0.718 285 G HN 0.744 nan 8.290 nan 0.000 0.519 286 T N -1.350 113.208 114.554 0.007 0.000 2.902 286 T HA 0.445 4.811 4.350 0.026 0.000 0.301 286 T C 1.396 176.102 174.700 0.010 0.000 1.012 286 T CA 0.493 62.599 62.100 0.010 0.000 1.151 286 T CB 1.445 70.320 68.868 0.012 0.000 0.946 286 T HN 0.714 nan 8.240 nan 0.000 0.542 287 K N 1.296 121.703 120.400 0.011 0.000 2.379 287 K HA 0.527 4.862 4.320 0.026 0.000 0.194 287 K C 0.472 177.079 176.600 0.012 0.000 1.031 287 K CA -0.187 56.106 56.287 0.011 0.000 1.037 287 K CB 0.455 32.961 32.500 0.010 0.000 0.824 287 K HN 0.741 nan 8.250 nan 0.000 0.516 288 A N 0.782 123.611 122.820 0.014 0.000 2.594 288 A HA 0.310 4.646 4.320 0.026 0.000 0.296 288 A C 0.291 177.886 177.584 0.018 0.000 1.056 288 A CA -0.837 51.209 52.037 0.015 0.000 0.693 288 A CB 0.696 19.704 19.000 0.013 0.000 1.278 288 A HN -0.029 nan 8.150 nan 0.000 0.408 289 L N 1.210 122.444 121.223 0.018 0.000 1.978 289 L HA -0.172 4.184 4.340 0.026 0.000 0.218 289 L C 2.800 179.685 176.870 0.025 0.000 1.075 289 L CA 3.066 57.919 54.840 0.022 0.000 0.767 289 L CB -2.217 39.854 42.059 0.019 0.000 0.890 289 L HN 1.102 nan 8.230 nan 0.000 0.434 290 T N -2.561 112.005 114.554 0.020 0.000 3.155 290 T HA -0.104 4.261 4.350 0.026 0.000 0.264 290 T C 0.773 175.487 174.700 0.023 0.000 1.160 290 T CA -0.043 62.068 62.100 0.019 0.000 1.075 290 T CB -0.529 68.346 68.868 0.012 0.000 0.921 290 T HN 0.380 nan 8.240 nan 0.000 0.533 291 E N 0.869 121.084 120.200 0.026 0.000 2.398 291 E HA 0.226 4.592 4.350 0.026 0.000 0.263 291 E C -0.976 175.648 176.600 0.040 0.000 1.046 291 E CA -0.415 56.001 56.400 0.027 0.000 0.908 291 E CB 0.734 30.449 29.700 0.025 0.000 0.963 291 E HN 0.133 nan 8.360 nan 0.000 0.431 292 V N 6.065 126.003 119.914 0.040 0.000 2.311 292 V HA 0.224 4.360 4.120 0.026 0.000 0.275 292 V C -0.362 175.769 176.094 0.062 0.000 1.022 292 V CA -0.559 61.775 62.300 0.058 0.000 0.830 292 V CB 0.639 32.489 31.823 0.045 0.000 1.012 292 V HN 0.502 nan 8.190 nan 0.000 0.452 293 I N 8.588 129.205 120.570 0.079 0.000 2.336 293 I HA 0.448 4.634 4.170 0.026 0.000 0.292 293 I C -1.931 174.235 176.117 0.082 0.000 0.991 293 I CA -2.461 58.875 61.300 0.060 0.000 1.227 293 I CB 1.811 39.832 38.000 0.035 0.000 1.366 293 I HN 0.426 nan 8.210 nan 0.000 0.466 294 P HA 0.203 nan 4.420 nan 0.000 0.281 294 P C -0.703 176.613 177.300 0.027 0.000 1.252 294 P CA -0.399 62.743 63.100 0.071 0.000 0.778 294 P CB 0.710 32.440 31.700 0.050 0.000 0.895 295 L N 3.321 124.555 121.223 0.018 0.000 2.477 295 L HA 0.097 4.452 4.340 0.026 0.000 0.272 295 L C 1.787 178.632 176.870 -0.041 0.000 1.157 295 L CA -0.173 54.622 54.840 -0.075 0.000 0.889 295 L CB -0.189 41.780 42.059 -0.150 0.000 1.158 295 L HN 0.494 nan 8.230 nan 0.000 0.473 296 T N -1.323 113.200 114.554 -0.053 0.000 2.680 296 T HA -0.035 4.331 4.350 0.026 0.000 0.314 296 T C 1.040 175.718 174.700 -0.036 0.000 1.045 296 T CA -0.255 61.824 62.100 -0.035 0.000 1.025 296 T CB 1.028 69.874 68.868 -0.037 0.000 1.000 296 T HN 0.749 nan 8.240 nan 0.000 0.535 297 E N 0.266 120.452 120.200 -0.024 0.000 2.051 297 E HA -0.210 4.156 4.350 0.026 0.000 0.192 297 E C 1.962 178.543 176.600 -0.032 0.000 0.991 297 E CA 1.474 57.861 56.400 -0.021 0.000 0.799 297 E CB -0.149 29.542 29.700 -0.014 0.000 0.748 297 E HN 0.776 nan 8.360 nan 0.000 0.449 298 E N 0.410 120.588 120.200 -0.036 0.000 2.085 298 E HA -0.175 4.191 4.350 0.026 0.000 0.194 298 E C 1.824 178.387 176.600 -0.062 0.000 0.994 298 E CA 1.366 57.741 56.400 -0.043 0.000 0.801 298 E CB -0.296 29.380 29.700 -0.040 0.000 0.743 298 E HN 0.403 nan 8.360 nan 0.000 0.453 299 A N 0.571 123.343 122.820 -0.080 0.000 1.969 299 A HA -0.176 4.160 4.320 0.026 0.000 0.218 299 A C 2.092 179.594 177.584 -0.136 0.000 1.169 299 A CA 1.561 53.523 52.037 -0.125 0.000 0.635 299 A CB -0.349 18.558 19.000 -0.155 0.000 0.810 299 A HN 0.145 nan 8.150 nan 0.000 0.445 300 E N -0.594 119.552 120.200 -0.090 0.000 2.152 300 E HA -0.092 4.273 4.350 0.026 0.000 0.192 300 E C 1.704 178.276 176.600 -0.047 0.000 0.983 300 E CA 0.777 57.141 56.400 -0.060 0.000 0.818 300 E CB -0.227 29.462 29.700 -0.019 0.000 0.758 300 E HN 0.474 nan 8.360 nan 0.000 0.467 301 L N 1.247 122.441 121.223 -0.047 0.000 1.971 301 L HA -0.107 4.249 4.340 0.026 0.000 0.208 301 L C 2.199 179.041 176.870 -0.046 0.000 1.083 301 L CA 2.430 57.247 54.840 -0.038 0.000 0.753 301 L CB -0.990 41.049 42.059 -0.032 0.000 0.893 301 L HN 0.288 nan 8.230 nan 0.000 0.436 302 E N -0.430 119.736 120.200 -0.056 0.000 2.171 302 E HA -0.312 4.054 4.350 0.026 0.000 0.197 302 E C 2.137 178.694 176.600 -0.070 0.000 0.997 302 E CA 1.814 58.179 56.400 -0.059 0.000 0.810 302 E CB -0.867 28.796 29.700 -0.062 0.000 0.738 302 E HN 0.432 nan 8.360 nan 0.000 0.467 303 L N 1.037 122.204 121.223 -0.092 0.000 2.083 303 L HA -0.097 4.259 4.340 0.026 0.000 0.209 303 L C 2.381 179.219 176.870 -0.053 0.000 1.083 303 L CA 2.059 56.837 54.840 -0.103 0.000 0.752 303 L CB -0.607 41.356 42.059 -0.160 0.000 0.899 303 L HN 0.277 nan 8.230 nan 0.000 0.433 304 A N -0.866 121.931 122.820 -0.038 0.000 1.854 304 A HA -0.158 4.178 4.320 0.026 0.000 0.214 304 A C 2.119 179.685 177.584 -0.030 0.000 1.192 304 A CA 1.355 53.380 52.037 -0.020 0.000 0.611 304 A CB -0.612 18.380 19.000 -0.012 0.000 0.832 304 A HN 0.538 nan 8.150 nan 0.000 0.442 305 E N 0.273 120.452 120.200 -0.035 0.000 2.097 305 E HA -0.232 4.133 4.350 0.026 0.000 0.196 305 E C 1.725 178.295 176.600 -0.050 0.000 1.000 305 E CA 1.357 57.735 56.400 -0.037 0.000 0.804 305 E CB -0.282 29.398 29.700 -0.034 0.000 0.740 305 E HN 0.521 nan 8.360 nan 0.000 0.454 306 N N 0.721 119.385 118.700 -0.060 0.000 2.166 306 N HA -0.128 4.628 4.740 0.026 0.000 0.186 306 N C 1.671 177.118 175.510 -0.104 0.000 1.019 306 N CA 0.922 53.921 53.050 -0.085 0.000 0.856 306 N CB -0.193 38.245 38.487 -0.080 0.000 0.993 306 N HN 0.172 nan 8.380 nan 0.000 0.426 307 R N 0.867 121.324 120.500 -0.070 0.000 2.073 307 R HA -0.055 4.300 4.340 0.026 0.000 0.234 307 R C 2.057 178.314 176.300 -0.071 0.000 1.134 307 R CA 1.061 57.124 56.100 -0.062 0.000 0.952 307 R CB -0.231 30.054 30.300 -0.025 0.000 0.850 307 R HN 0.366 nan 8.270 nan 0.000 0.433 308 E N 0.854 121.021 120.200 -0.055 0.000 2.077 308 E HA -0.176 4.190 4.350 0.026 0.000 0.193 308 E C 2.026 178.587 176.600 -0.064 0.000 0.989 308 E CA 0.998 57.371 56.400 -0.045 0.000 0.800 308 E CB 0.032 29.715 29.700 -0.029 0.000 0.746 308 E HN 0.291 nan 8.360 nan 0.000 0.452 309 I N 0.971 121.487 120.570 -0.090 0.000 2.099 309 I HA -0.320 3.865 4.170 0.026 0.000 0.239 309 I C 2.358 178.324 176.117 -0.252 0.000 1.066 309 I CA 1.072 62.300 61.300 -0.120 0.000 1.324 309 I CB -0.304 37.619 38.000 -0.128 0.000 1.037 309 I HN 0.176 nan 8.210 nan 0.000 0.401 310 L N 0.531 121.535 121.223 -0.364 0.000 2.651 310 L HA -0.187 4.169 4.340 0.026 0.000 0.236 310 L C 2.298 179.046 176.870 -0.204 0.000 1.173 310 L CA 0.884 55.425 54.840 -0.497 0.000 0.843 310 L CB -0.511 41.334 42.059 -0.356 0.000 0.964 310 L HN 0.267 nan 8.230 nan 0.000 0.454 311 K N 0.264 120.601 120.400 -0.105 0.000 2.021 311 K HA -0.103 4.233 4.320 0.026 0.000 0.205 311 K C 0.831 177.450 176.600 0.032 0.000 1.047 311 K CA 0.176 56.449 56.287 -0.024 0.000 0.943 311 K CB -0.011 32.479 32.500 -0.017 0.000 0.725 311 K HN 0.031 nan 8.250 nan 0.000 0.439 312 E N 2.514 122.743 120.200 0.049 0.000 2.829 312 E HA -0.084 4.281 4.350 0.026 0.000 0.264 312 E C -2.378 174.336 176.600 0.190 0.000 0.922 312 E CA -0.781 55.686 56.400 0.111 0.000 0.960 312 E CB 0.386 30.168 29.700 0.136 0.000 0.918 312 E HN 0.016 nan 8.360 nan 0.000 0.497 313 P HA 0.154 nan 4.420 nan 0.000 0.282 313 P C -1.166 176.233 177.300 0.165 0.000 1.249 313 P CA -0.470 62.727 63.100 0.163 0.000 0.806 313 P CB 1.212 32.978 31.700 0.111 0.000 0.984 314 V N 4.179 124.179 119.914 0.143 0.000 2.447 314 V HA 0.280 4.415 4.120 0.026 0.000 0.292 314 V C 0.240 176.345 176.094 0.018 0.000 1.021 314 V CA -0.504 61.812 62.300 0.027 0.000 0.850 314 V CB 0.883 32.649 31.823 -0.095 0.000 1.005 314 V HN 0.763 nan 8.190 nan 0.000 0.426 315 H N 2.645 121.592 119.070 -0.206 0.000 2.710 315 H HA 0.937 5.509 4.556 0.027 0.000 0.361 315 H C -0.254 174.475 175.328 -0.998 0.000 1.175 315 H CA -0.746 55.037 56.048 -0.443 0.000 1.206 315 H CB 2.709 32.287 29.762 -0.307 0.000 1.750 315 H HN 0.696 nan 8.280 nan 0.000 0.553 316 G N -0.207 107.508 108.800 -1.807 0.000 2.708 316 G HA2 0.501 4.476 3.960 0.026 0.000 0.289 316 G HA3 0.501 4.476 3.960 0.026 0.000 0.289 316 G C -0.840 173.241 174.900 -1.364 0.000 1.416 316 G CA -0.329 43.447 45.100 -2.207 0.000 0.829 316 G HN 0.769 nan 8.290 nan 0.000 0.480 317 V N -2.195 117.407 119.914 -0.520 0.000 2.881 317 V HA 0.790 4.926 4.120 0.026 0.000 0.316 317 V C -0.672 175.504 176.094 0.135 0.000 1.070 317 V CA -1.323 60.869 62.300 -0.179 0.000 0.976 317 V CB 1.290 33.104 31.823 -0.015 0.000 1.038 317 V HN 0.611 nan 8.190 nan 0.000 0.446 318 Y N 0.975 121.466 120.300 0.319 0.000 2.340 318 Y HA 0.409 4.975 4.550 0.027 0.000 0.327 318 Y C 0.183 176.280 175.900 0.329 0.000 1.321 318 Y CA -0.889 57.424 58.100 0.355 0.000 1.433 318 Y CB 0.587 39.201 38.460 0.257 0.000 1.373 318 Y HN 0.769 nan 8.280 nan 0.000 0.538 319 Y N 1.606 122.145 120.300 0.399 0.000 2.402 319 Y HA 0.113 4.679 4.550 0.026 0.000 0.333 319 Y C -0.273 175.710 175.900 0.139 0.000 1.076 319 Y CA -0.688 57.555 58.100 0.237 0.000 1.299 319 Y CB 0.453 39.109 38.460 0.327 0.000 1.197 319 Y HN 0.521 nan 8.280 nan 0.000 0.517 320 D N 8.969 129.238 120.400 -0.217 0.000 2.443 320 D HA 0.260 4.916 4.640 0.026 0.000 0.221 320 D C -2.078 173.778 176.300 -0.739 0.000 1.097 320 D CA -2.712 51.085 54.000 -0.338 0.000 0.865 320 D CB 1.690 42.420 40.800 -0.118 0.000 1.034 320 D HN 0.344 nan 8.370 nan 0.000 0.511 321 P HA -0.125 nan 4.420 nan 0.000 0.222 321 P C 1.137 178.245 177.300 -0.321 0.000 1.142 321 P CA 0.720 63.387 63.100 -0.722 0.000 0.788 321 P CB 0.333 31.801 31.700 -0.387 0.000 0.767 322 S N -1.920 113.632 115.700 -0.246 0.000 2.496 322 S HA 0.041 4.527 4.470 0.026 0.000 0.224 322 S C 0.835 175.372 174.600 -0.105 0.000 0.996 322 S CA 0.352 58.471 58.200 -0.136 0.000 0.927 322 S CB -0.348 62.790 63.200 -0.103 0.000 0.774 322 S HN 0.045 nan 8.310 nan 0.000 0.524 323 K N 1.085 121.416 120.400 -0.115 0.000 2.245 323 K HA 0.352 4.688 4.320 0.026 0.000 0.234 323 K C -0.845 175.717 176.600 -0.064 0.000 1.021 323 K CA -0.936 55.308 56.287 -0.072 0.000 0.898 323 K CB 0.392 32.860 32.500 -0.052 0.000 1.163 323 K HN 0.139 nan 8.250 nan 0.000 0.459 324 D N 1.369 121.723 120.400 -0.077 0.000 2.423 324 D HA 0.037 4.693 4.640 0.026 0.000 0.238 324 D C -0.441 175.754 176.300 -0.175 0.000 1.142 324 D CA 0.357 54.287 54.000 -0.117 0.000 0.884 324 D CB 0.703 41.426 40.800 -0.127 0.000 1.199 324 D HN 0.149 nan 8.370 nan 0.000 0.438 325 L N 3.424 124.490 121.223 -0.262 0.000 2.294 325 L HA 0.412 4.768 4.340 0.026 0.000 0.283 325 L C -0.431 176.133 176.870 -0.511 0.000 1.015 325 L CA -0.464 54.106 54.840 -0.449 0.000 0.831 325 L CB 0.583 42.302 42.059 -0.568 0.000 1.217 325 L HN 0.192 nan 8.230 nan 0.000 0.420 326 I N 3.237 123.428 120.570 -0.632 0.000 2.693 326 I HA 0.673 4.859 4.170 0.026 0.000 0.303 326 I C -0.182 175.488 176.117 -0.745 0.000 1.025 326 I CA -0.733 60.132 61.300 -0.725 0.000 1.086 326 I CB 2.188 39.647 38.000 -0.902 0.000 1.268 326 I HN 0.572 nan 8.210 nan 0.000 0.440 327 A N 3.962 126.422 122.820 -0.601 0.000 2.385 327 A HA 0.546 4.882 4.320 0.026 0.000 0.290 327 A C -0.960 176.550 177.584 -0.123 0.000 1.094 327 A CA -0.474 51.338 52.037 -0.374 0.000 0.729 327 A CB 1.320 19.991 19.000 -0.548 0.000 1.194 327 A HN 0.761 nan 8.150 nan 0.000 0.442 328 E N 2.570 122.823 120.200 0.088 0.000 2.195 328 E HA 0.694 5.060 4.350 0.026 0.000 0.271 328 E C -1.159 175.589 176.600 0.247 0.000 0.923 328 E CA -0.504 56.013 56.400 0.194 0.000 0.790 328 E CB 1.228 31.085 29.700 0.263 0.000 1.155 328 E HN 0.656 nan 8.360 nan 0.000 0.402 329 I N 2.385 123.099 120.570 0.241 0.000 2.646 329 I HA 0.323 4.509 4.170 0.026 0.000 0.299 329 I C -0.808 175.477 176.117 0.280 0.000 1.036 329 I CA -1.016 60.452 61.300 0.279 0.000 1.074 329 I CB 2.014 40.147 38.000 0.222 0.000 1.258 329 I HN 0.375 nan 8.210 nan 0.000 0.430 330 Q N 3.491 123.480 119.800 0.315 0.000 2.356 330 Q HA 0.358 4.714 4.340 0.026 0.000 0.270 330 Q C -0.829 175.319 176.000 0.247 0.000 1.058 330 Q CA -0.784 55.162 55.803 0.239 0.000 0.802 330 Q CB 2.543 31.360 28.738 0.132 0.000 1.303 330 Q HN 0.360 nan 8.270 nan 0.000 0.444 331 K N 1.924 122.365 120.400 0.068 0.000 2.284 331 K HA 0.096 4.432 4.320 0.026 0.000 0.287 331 K C 0.045 176.485 176.600 -0.267 0.000 1.081 331 K CA 0.129 56.144 56.287 -0.454 0.000 0.910 331 K CB 0.644 32.788 32.500 -0.594 0.000 1.088 331 K HN 0.718 nan 8.250 nan 0.000 0.478 332 Q N 2.852 122.495 119.800 -0.262 0.000 2.320 332 Q HA 0.152 4.508 4.340 0.026 0.000 0.201 332 Q C -0.357 175.550 176.000 -0.155 0.000 0.910 332 Q CA 0.039 55.757 55.803 -0.141 0.000 0.946 332 Q CB 0.504 29.198 28.738 -0.074 0.000 1.062 332 Q HN 0.921 nan 8.270 nan 0.000 0.503 333 G N 0.482 109.136 108.800 -0.244 0.000 2.352 333 G HA2 -0.106 3.870 3.960 0.026 0.000 0.303 333 G HA3 -0.106 3.870 3.960 0.026 0.000 0.303 333 G C -1.635 173.115 174.900 -0.250 0.000 1.593 333 G CA -0.993 44.000 45.100 -0.179 0.000 0.963 333 G HN 0.172 nan 8.290 nan 0.000 0.685 334 Q N 0.063 119.763 119.800 -0.166 0.000 2.687 334 Q HA 0.299 4.654 4.340 0.026 0.000 0.341 334 Q C 1.634 177.539 176.000 -0.158 0.000 1.074 334 Q CA 2.243 57.954 55.803 -0.153 0.000 1.115 334 Q CB -0.215 28.458 28.738 -0.108 0.000 0.996 334 Q HN 2.497 nan 8.270 nan 0.000 0.397 335 G N 3.192 111.885 108.800 -0.179 0.000 2.196 335 G HA2 -0.336 3.640 3.960 0.026 0.000 0.268 335 G HA3 -0.336 3.640 3.960 0.026 0.000 0.268 335 G C -0.248 174.575 174.900 -0.128 0.000 0.975 335 G CA 0.659 45.734 45.100 -0.040 0.000 0.648 335 G HN 0.648 nan 8.290 nan 0.000 0.538 336 Q N -1.087 118.486 119.800 -0.378 0.000 2.271 336 Q HA 0.599 4.954 4.340 0.026 0.000 0.258 336 Q C -0.790 174.936 176.000 -0.456 0.000 0.936 336 Q CA -0.577 55.088 55.803 -0.230 0.000 0.909 336 Q CB 1.087 29.736 28.738 -0.148 0.000 1.253 336 Q HN 0.434 nan 8.270 nan 0.000 0.440 337 W N 0.975 122.337 121.300 0.104 0.000 2.915 337 W HA 0.461 5.138 4.660 0.029 0.000 0.337 337 W C -0.460 176.111 176.519 0.087 0.000 1.102 337 W CA -0.633 56.783 57.345 0.118 0.000 1.224 337 W CB 2.075 31.652 29.460 0.194 0.000 1.416 337 W HN 0.474 nan 8.180 nan 0.000 0.503 338 T N -0.057 114.698 114.554 0.334 0.000 2.887 338 T HA 0.774 5.140 4.350 0.026 0.000 0.288 338 T C -1.282 173.567 174.700 0.249 0.000 1.021 338 T CA -0.784 61.414 62.100 0.164 0.000 1.000 338 T CB 1.611 70.515 68.868 0.059 0.000 1.034 338 T HN 0.439 nan 8.240 nan 0.000 0.467 339 Y N 0.141 120.459 120.300 0.030 0.000 2.504 339 Y HA 0.703 5.267 4.550 0.024 0.000 0.344 339 Y C -1.133 174.794 175.900 0.044 0.000 1.023 339 Y CA -1.272 56.861 58.100 0.055 0.000 1.020 339 Y CB 1.856 40.347 38.460 0.051 0.000 1.282 339 Y HN 0.776 nan 8.280 nan 0.000 0.454 340 Q N 4.477 124.388 119.800 0.186 0.000 2.323 340 Q HA 0.576 4.932 4.340 0.026 0.000 0.271 340 Q C -1.588 174.571 176.000 0.265 0.000 1.048 340 Q CA -0.756 55.134 55.803 0.144 0.000 0.792 340 Q CB 2.961 31.783 28.738 0.140 0.000 1.280 340 Q HN 0.946 nan 8.270 nan 0.000 0.441 341 I N 4.090 124.796 120.570 0.226 0.000 2.354 341 I HA 0.487 4.672 4.170 0.026 0.000 0.292 341 I C -0.861 175.317 176.117 0.101 0.000 0.989 341 I CA -0.975 60.371 61.300 0.078 0.000 1.188 341 I CB 0.790 38.869 38.000 0.131 0.000 1.342 341 I HN 0.710 nan 8.210 nan 0.000 0.457 342 Y N 3.573 123.833 120.300 -0.067 0.000 2.728 342 Y HA 0.531 5.096 4.550 0.025 0.000 0.330 342 Y C -0.162 175.672 175.900 -0.111 0.000 1.234 342 Y CA -0.825 57.245 58.100 -0.051 0.000 1.070 342 Y CB 1.105 39.562 38.460 -0.005 0.000 1.300 342 Y HN 0.437 nan 8.280 nan 0.000 0.467 343 Q N -0.830 119.057 119.800 0.145 0.000 2.577 343 Q HA 0.211 4.566 4.340 0.026 0.000 0.242 343 Q C -0.647 175.444 176.000 0.151 0.000 0.818 343 Q CA -0.082 55.744 55.803 0.039 0.000 0.962 343 Q CB 0.950 29.704 28.738 0.027 0.000 1.272 343 Q HN 0.523 nan 8.270 nan 0.000 0.593 344 E N 2.352 122.648 120.200 0.159 0.000 2.109 344 E HA 0.298 4.663 4.350 0.026 0.000 0.278 344 E C -2.516 174.074 176.600 -0.017 0.000 0.954 344 E CA -2.246 54.187 56.400 0.055 0.000 0.779 344 E CB 1.220 30.927 29.700 0.012 0.000 1.093 344 E HN -0.014 nan 8.360 nan 0.000 0.401 345 P HA -0.111 nan 4.420 nan 0.000 0.259 345 P C -0.249 176.721 177.300 -0.550 0.000 1.155 345 P CA 0.917 63.646 63.100 -0.618 0.000 0.759 345 P CB -0.170 31.075 31.700 -0.758 0.000 0.753 346 F N 0.236 119.922 119.950 -0.438 0.000 2.884 346 F HA -0.262 4.279 4.527 0.025 0.000 0.294 346 F C 0.454 176.142 175.800 -0.187 0.000 0.723 346 F CA 0.251 58.085 58.000 -0.275 0.000 1.294 346 F CB -1.463 37.430 39.000 -0.177 0.000 1.551 346 F HN 0.366 nan 8.300 nan 0.000 0.363 347 K N 1.531 121.927 120.400 -0.006 0.000 2.646 347 K HA 0.272 4.608 4.320 0.026 0.000 0.210 347 K C -0.368 176.277 176.600 0.076 0.000 1.020 347 K CA -0.595 55.696 56.287 0.005 0.000 1.040 347 K CB 0.842 33.349 32.500 0.012 0.000 1.253 347 K HN -0.020 nan 8.250 nan 0.000 0.532 348 N N 2.183 120.928 118.700 0.075 0.000 2.508 348 N HA 0.125 4.881 4.740 0.026 0.000 0.264 348 N C 0.900 176.609 175.510 0.332 0.000 1.216 348 N CA 0.032 53.205 53.050 0.204 0.000 0.943 348 N CB 1.191 39.782 38.487 0.174 0.000 1.113 348 N HN 0.366 nan 8.380 nan 0.000 0.447 349 L N 0.050 121.493 121.223 0.367 0.000 2.500 349 L HA 0.290 4.645 4.340 0.026 0.000 0.219 349 L C 0.775 177.831 176.870 0.309 0.000 1.057 349 L CA 0.465 55.584 54.840 0.465 0.000 0.854 349 L CB 0.172 42.453 42.059 0.372 0.000 1.078 349 L HN 0.455 nan 8.230 nan 0.000 0.480 350 K N 0.366 120.903 120.400 0.227 0.000 2.569 350 K HA 0.353 4.689 4.320 0.026 0.000 0.259 350 K C -1.129 175.498 176.600 0.045 0.000 0.932 350 K CA -0.296 56.033 56.287 0.070 0.000 0.833 350 K CB 1.990 34.460 32.500 -0.049 0.000 1.340 350 K HN 0.012 nan 8.250 nan 0.000 0.429 351 T N -0.617 113.886 114.554 -0.085 0.000 2.905 351 T HA 0.955 5.321 4.350 0.026 0.000 0.283 351 T C 0.153 174.466 174.700 -0.645 0.000 1.031 351 T CA -0.553 61.369 62.100 -0.298 0.000 1.002 351 T CB 1.963 70.715 68.868 -0.193 0.000 1.200 351 T HN 0.743 nan 8.240 nan 0.000 0.560 352 G N -0.296 107.882 108.800 -1.038 0.000 2.387 352 G HA2 0.507 4.483 3.960 0.026 0.000 0.294 352 G HA3 0.507 4.483 3.960 0.026 0.000 0.294 352 G C -2.112 172.290 174.900 -0.829 0.000 1.509 352 G CA -0.969 43.483 45.100 -1.081 0.000 0.806 352 G HN 0.809 nan 8.290 nan 0.000 0.546 353 K N 0.000 120.132 120.400 -0.447 0.000 2.468 353 K HA 0.653 4.989 4.320 0.026 0.000 0.252 353 K C -1.709 174.765 176.600 -0.209 0.000 0.932 353 K CA -0.867 55.280 56.287 -0.233 0.000 0.794 353 K CB 1.840 34.280 32.500 -0.100 0.000 1.241 353 K HN 0.420 nan 8.250 nan 0.000 0.428 354 Y N 1.440 121.880 120.300 0.233 0.000 2.341 354 Y HA 0.431 4.996 4.550 0.025 0.000 0.337 354 Y C 0.642 176.637 175.900 0.158 0.000 1.014 354 Y CA -0.673 57.543 58.100 0.193 0.000 1.111 354 Y CB 1.748 40.330 38.460 0.203 0.000 1.194 354 Y HN 0.748 nan 8.280 nan 0.000 0.462 355 A N 3.646 126.635 122.820 0.281 0.000 2.577 355 A HA 0.056 4.392 4.320 0.026 0.000 0.233 355 A C 0.741 178.434 177.584 0.181 0.000 1.076 355 A CA -0.399 51.745 52.037 0.177 0.000 0.767 355 A CB 0.130 19.212 19.000 0.137 0.000 1.017 355 A HN 0.712 nan 8.150 nan 0.000 0.511 356 R N 1.793 122.363 120.500 0.116 0.000 2.474 356 R HA 0.065 4.421 4.340 0.026 0.000 0.339 356 R C -0.368 175.994 176.300 0.103 0.000 1.033 356 R CA 0.487 56.643 56.100 0.093 0.000 0.997 356 R CB -0.803 29.523 30.300 0.042 0.000 0.963 356 R HN 0.702 nan 8.270 nan 0.000 0.438 357 M N 6.077 125.763 119.600 0.143 0.000 2.268 357 M HA 0.082 4.577 4.480 0.026 0.000 0.349 357 M C 0.608 176.963 176.300 0.091 0.000 1.485 357 M CA 0.884 56.254 55.300 0.117 0.000 1.094 357 M CB 0.261 32.946 32.600 0.141 0.000 1.843 357 M HN 0.238 nan 8.290 nan 0.000 0.460 358 R N 2.283 122.825 120.500 0.070 0.000 2.576 358 R HA 0.660 5.016 4.340 0.026 0.000 0.283 358 R C -0.486 175.853 176.300 0.065 0.000 1.493 358 R CA -0.656 55.481 56.100 0.062 0.000 1.170 358 R CB 0.609 30.937 30.300 0.047 0.000 1.189 358 R HN 0.733 nan 8.270 nan 0.000 0.542 359 G N 0.610 109.455 108.800 0.075 0.000 2.828 359 G HA2 0.489 4.464 3.960 0.026 0.000 0.244 359 G HA3 0.489 4.464 3.960 0.026 0.000 0.244 359 G C 0.653 175.629 174.900 0.126 0.000 1.365 359 G CA -0.385 44.765 45.100 0.084 0.000 1.041 359 G HN 0.453 nan 8.290 nan 0.000 0.560 360 A N -0.936 121.987 122.820 0.171 0.000 1.902 360 A HA 0.186 4.521 4.320 0.026 0.000 0.217 360 A C 0.893 178.783 177.584 0.510 0.000 1.181 360 A CA 2.021 54.260 52.037 0.335 0.000 0.623 360 A CB -0.625 18.646 19.000 0.452 0.000 0.818 360 A HN 1.188 nan 8.150 nan 0.000 0.443 361 H N -2.403 116.745 119.070 0.131 0.000 3.163 361 H HA 0.463 5.034 4.556 0.026 0.000 0.298 361 H C -1.009 174.424 175.328 0.174 0.000 1.187 361 H CA -0.366 55.771 56.048 0.148 0.000 1.525 361 H CB -0.483 29.369 29.762 0.151 0.000 2.172 361 H HN 0.323 nan 8.280 nan 0.000 0.397 362 T N 1.008 115.676 114.554 0.192 0.000 2.681 362 T HA 0.567 4.933 4.350 0.026 0.000 0.296 362 T C -0.453 174.346 174.700 0.166 0.000 1.157 362 T CA -0.883 61.319 62.100 0.169 0.000 1.025 362 T CB 1.986 70.919 68.868 0.108 0.000 1.441 362 T HN 0.773 nan 8.240 nan 0.000 0.504 363 N N -1.393 117.379 118.700 0.120 0.000 2.380 363 N HA 0.438 5.194 4.740 0.026 0.000 0.290 363 N C -0.125 175.393 175.510 0.013 0.000 1.236 363 N CA -0.863 52.232 53.050 0.074 0.000 0.780 363 N CB 1.186 39.711 38.487 0.064 0.000 1.438 363 N HN 0.439 nan 8.380 nan 0.000 0.491 364 D N -0.018 120.422 120.400 0.067 0.000 2.218 364 D HA -0.086 4.570 4.640 0.026 0.000 0.204 364 D C 1.499 177.790 176.300 -0.015 0.000 0.976 364 D CA 0.974 55.053 54.000 0.131 0.000 0.853 364 D CB 0.101 41.047 40.800 0.243 0.000 0.939 364 D HN 0.380 nan 8.370 nan 0.000 0.481 365 V N 0.782 120.492 119.914 -0.341 0.000 2.407 365 V HA -0.178 3.958 4.120 0.026 0.000 0.245 365 V C 2.345 177.974 176.094 -0.776 0.000 1.041 365 V CA 1.162 63.067 62.300 -0.659 0.000 1.040 365 V CB -0.302 30.812 31.823 -1.183 0.000 0.671 365 V HN 0.033 nan 8.190 nan 0.000 0.455 366 K N 0.665 120.621 120.400 -0.739 0.000 2.097 366 K HA -0.162 4.174 4.320 0.026 0.000 0.206 366 K C 2.123 178.563 176.600 -0.268 0.000 1.049 366 K CA 1.556 57.591 56.287 -0.420 0.000 0.933 366 K CB -0.362 32.063 32.500 -0.124 0.000 0.717 366 K HN 0.506 nan 8.250 nan 0.000 0.442 367 Q N -0.037 119.662 119.800 -0.168 0.000 2.124 367 Q HA -0.113 4.243 4.340 0.026 0.000 0.202 367 Q C 2.036 177.767 176.000 -0.448 0.000 0.977 367 Q CA 1.293 57.041 55.803 -0.092 0.000 0.850 367 Q CB -0.162 28.738 28.738 0.269 0.000 0.901 367 Q HN 0.367 nan 8.270 nan 0.000 0.429 368 L N 1.022 121.916 121.223 -0.548 0.000 2.056 368 L HA -0.161 4.194 4.340 0.026 0.000 0.207 368 L C 2.479 178.844 176.870 -0.842 0.000 1.078 368 L CA 1.930 56.162 54.840 -1.013 0.000 0.749 368 L CB -0.652 40.992 42.059 -0.693 0.000 0.901 368 L HN 0.400 nan 8.230 nan 0.000 0.433 369 T N -3.444 110.727 114.554 -0.638 0.000 2.881 369 T HA -0.189 4.177 4.350 0.026 0.000 0.270 369 T C 1.510 175.915 174.700 -0.493 0.000 1.068 369 T CA 1.290 63.051 62.100 -0.565 0.000 1.131 369 T CB -0.309 68.382 68.868 -0.295 0.000 0.871 369 T HN 0.491 nan 8.240 nan 0.000 0.479 370 E N 1.575 121.506 120.200 -0.447 0.000 2.076 370 E HA 0.102 4.468 4.350 0.026 0.000 0.190 370 E C 2.757 179.052 176.600 -0.508 0.000 0.979 370 E CA 0.844 57.010 56.400 -0.390 0.000 0.807 370 E CB -0.371 29.156 29.700 -0.288 0.000 0.761 370 E HN 0.662 nan 8.360 nan 0.000 0.454 371 A N 1.596 124.023 122.820 -0.655 0.000 1.883 371 A HA -0.170 4.166 4.320 0.026 0.000 0.217 371 A C 2.587 179.867 177.584 -0.505 0.000 1.186 371 A CA 1.407 53.073 52.037 -0.618 0.000 0.624 371 A CB -0.944 17.564 19.000 -0.821 0.000 0.822 371 A HN 0.113 nan 8.150 nan 0.000 0.444 372 V N 1.014 120.547 119.914 -0.635 0.000 2.324 372 V HA -0.382 3.753 4.120 0.026 0.000 0.250 372 V C 2.891 178.662 176.094 -0.537 0.000 1.060 372 V CA 2.663 64.514 62.300 -0.748 0.000 1.042 372 V CB -1.026 30.139 31.823 -1.097 0.000 0.650 372 V HN 0.950 nan 8.190 nan 0.000 0.450 373 Q N 0.644 120.181 119.800 -0.440 0.000 2.046 373 Q HA -0.191 4.164 4.340 0.026 0.000 0.200 373 Q C 2.037 177.903 176.000 -0.224 0.000 0.975 373 Q CA 1.844 57.477 55.803 -0.285 0.000 0.836 373 Q CB -0.536 28.064 28.738 -0.231 0.000 0.896 373 Q HN 0.509 nan 8.270 nan 0.000 0.428 374 K N 0.535 120.751 120.400 -0.306 0.000 2.063 374 K HA -0.099 4.237 4.320 0.026 0.000 0.208 374 K C 2.147 178.648 176.600 -0.166 0.000 1.048 374 K CA 1.767 57.878 56.287 -0.293 0.000 0.928 374 K CB -0.314 31.821 32.500 -0.609 0.000 0.713 374 K HN 0.309 nan 8.250 nan 0.000 0.442 375 I N 1.035 121.511 120.570 -0.157 0.000 2.286 375 I HA -0.243 3.943 4.170 0.026 0.000 0.248 375 I C 2.248 178.367 176.117 0.004 0.000 1.115 375 I CA 1.140 62.368 61.300 -0.119 0.000 1.392 375 I CB -0.581 37.339 38.000 -0.135 0.000 1.065 375 I HN 0.178 nan 8.210 nan 0.000 0.418 376 T N 0.265 114.855 114.554 0.059 0.000 2.652 376 T HA -0.185 4.181 4.350 0.026 0.000 0.267 376 T C 1.949 176.662 174.700 0.021 0.000 1.039 376 T CA 2.231 64.382 62.100 0.085 0.000 1.153 376 T CB -0.389 68.510 68.868 0.050 0.000 0.863 376 T HN 0.364 nan 8.240 nan 0.000 0.428 377 T N 2.163 116.703 114.554 -0.024 0.000 2.684 377 T HA -0.115 4.251 4.350 0.026 0.000 0.267 377 T C 1.952 176.623 174.700 -0.048 0.000 1.036 377 T CA 1.324 63.404 62.100 -0.034 0.000 1.148 377 T CB -0.332 68.504 68.868 -0.054 0.000 0.863 377 T HN 0.544 nan 8.240 nan 0.000 0.436 378 E N 1.006 121.169 120.200 -0.062 0.000 2.058 378 E HA -0.111 4.255 4.350 0.026 0.000 0.194 378 E C 2.645 179.151 176.600 -0.156 0.000 0.997 378 E CA 1.407 57.744 56.400 -0.105 0.000 0.801 378 E CB -0.203 29.446 29.700 -0.085 0.000 0.746 378 E HN 0.369 nan 8.360 nan 0.000 0.450 379 S N 1.012 116.692 115.700 -0.034 0.000 2.359 379 S HA -0.151 4.335 4.470 0.026 0.000 0.224 379 S C 2.027 176.682 174.600 0.090 0.000 1.035 379 S CA 0.842 59.129 58.200 0.145 0.000 1.018 379 S CB -0.166 63.186 63.200 0.254 0.000 0.876 379 S HN 0.187 nan 8.310 nan 0.000 0.448 380 I N 1.360 121.954 120.570 0.041 0.000 2.208 380 I HA -0.120 4.066 4.170 0.026 0.000 0.245 380 I C 2.315 178.417 176.117 -0.025 0.000 1.097 380 I CA 1.088 62.406 61.300 0.030 0.000 1.363 380 I CB -1.472 36.541 38.000 0.022 0.000 1.051 380 I HN 0.163 nan 8.210 nan 0.000 0.413 381 V N 1.000 120.864 119.914 -0.083 0.000 2.270 381 V HA -0.231 3.905 4.120 0.026 0.000 0.245 381 V C 2.480 178.441 176.094 -0.222 0.000 1.043 381 V CA 1.383 63.609 62.300 -0.124 0.000 1.014 381 V CB -0.260 31.488 31.823 -0.126 0.000 0.645 381 V HN 0.204 nan 8.190 nan 0.000 0.447 382 I N -1.464 118.854 120.570 -0.421 0.000 2.315 382 I HA -0.152 4.034 4.170 0.026 0.000 0.248 382 I C 1.837 177.513 176.117 -0.736 0.000 1.117 382 I CA 1.672 62.508 61.300 -0.773 0.000 1.404 382 I CB -0.822 36.256 38.000 -1.536 0.000 1.071 382 I HN 0.482 nan 8.210 nan 0.000 0.419 383 W N 0.041 121.228 121.300 -0.189 0.000 2.534 383 W HA 0.393 5.069 4.660 0.026 0.000 0.339 383 W C 1.314 177.786 176.519 -0.078 0.000 0.961 383 W CA 0.369 57.597 57.345 -0.196 0.000 1.545 383 W CB -0.439 28.748 29.460 -0.455 0.000 1.104 383 W HN 0.315 nan 8.180 nan 0.000 0.538 384 G N 2.514 111.388 108.800 0.123 0.000 2.258 384 G HA2 -0.328 3.648 3.960 0.026 0.000 0.274 384 G HA3 -0.328 3.648 3.960 0.026 0.000 0.274 384 G C 0.135 175.099 174.900 0.107 0.000 1.021 384 G CA 1.030 46.187 45.100 0.094 0.000 0.798 384 G HN 0.282 nan 8.290 nan 0.000 0.507 385 K N -1.545 118.930 120.400 0.125 0.000 2.522 385 K HA 0.651 4.987 4.320 0.026 0.000 0.275 385 K C -0.940 175.689 176.600 0.049 0.000 1.006 385 K CA -0.832 55.498 56.287 0.072 0.000 0.890 385 K CB 1.581 34.106 32.500 0.041 0.000 1.475 385 K HN 0.013 nan 8.250 nan 0.000 0.441 386 T N 3.164 117.716 114.554 -0.003 0.000 2.786 386 T HA 0.360 4.726 4.350 0.026 0.000 0.283 386 T C -2.442 172.156 174.700 -0.169 0.000 0.992 386 T CA -1.397 60.684 62.100 -0.031 0.000 0.954 386 T CB 1.284 70.175 68.868 0.039 0.000 0.934 386 T HN 0.356 nan 8.240 nan 0.000 0.440 387 P HA 0.177 nan 4.420 nan 0.000 0.271 387 P C -0.660 176.293 177.300 -0.579 0.000 1.244 387 P CA -0.547 62.222 63.100 -0.552 0.000 0.793 387 P CB 0.744 32.004 31.700 -0.734 0.000 0.984 388 K N 1.456 121.568 120.400 -0.479 0.000 2.262 388 K HA 0.325 4.661 4.320 0.026 0.000 0.282 388 K C -0.165 176.224 176.600 -0.351 0.000 1.066 388 K CA -0.280 55.835 56.287 -0.286 0.000 0.901 388 K CB 0.161 32.545 32.500 -0.193 0.000 1.089 388 K HN 0.337 nan 8.250 nan 0.000 0.476 389 F N 2.109 122.012 119.950 -0.078 0.000 2.399 389 F HA 0.189 4.730 4.527 0.024 0.000 0.342 389 F C 1.108 176.937 175.800 0.049 0.000 1.106 389 F CA -0.201 57.770 58.000 -0.048 0.000 1.196 389 F CB 0.798 39.740 39.000 -0.097 0.000 1.163 389 F HN 0.027 nan 8.300 nan 0.000 0.547 390 K N 5.477 126.005 120.400 0.212 0.000 2.449 390 K HA 0.496 4.832 4.320 0.026 0.000 0.257 390 K C -1.110 175.632 176.600 0.238 0.000 0.989 390 K CA -0.287 56.118 56.287 0.197 0.000 0.916 390 K CB 1.527 34.100 32.500 0.121 0.000 1.136 390 K HN 0.573 nan 8.250 nan 0.000 0.439 391 L N 4.006 125.422 121.223 0.321 0.000 2.346 391 L HA 0.440 4.796 4.340 0.026 0.000 0.274 391 L C -1.788 175.287 176.870 0.341 0.000 1.007 391 L CA -2.157 52.815 54.840 0.220 0.000 0.818 391 L CB 2.072 44.088 42.059 -0.072 0.000 1.284 391 L HN 0.259 nan 8.230 nan 0.000 0.424 392 P HA 0.100 nan 4.420 nan 0.000 0.261 392 P C -0.474 177.031 177.300 0.343 0.000 1.650 392 P CA 0.583 63.890 63.100 0.345 0.000 0.846 392 P CB 0.104 31.948 31.700 0.239 0.000 1.758 393 I N -1.097 119.691 120.570 0.363 0.000 2.619 393 I HA 0.269 4.455 4.170 0.026 0.000 0.292 393 I C -0.666 175.485 176.117 0.056 0.000 1.100 393 I CA -1.138 60.239 61.300 0.129 0.000 1.043 393 I CB 2.738 40.728 38.000 -0.018 0.000 1.239 393 I HN -0.212 nan 8.210 nan 0.000 0.420 394 Q N 5.695 125.335 119.800 -0.268 0.000 2.314 394 Q HA 0.177 4.532 4.340 0.026 0.000 0.258 394 Q C 0.664 176.718 176.000 0.089 0.000 0.954 394 Q CA -0.484 55.038 55.803 -0.467 0.000 0.890 394 Q CB 1.373 29.816 28.738 -0.491 0.000 1.210 394 Q HN 0.517 nan 8.270 nan 0.000 0.410 395 K N 2.317 122.789 120.400 0.120 0.000 2.173 395 K HA -0.254 4.082 4.320 0.026 0.000 0.207 395 K C 1.260 178.039 176.600 0.299 0.000 1.046 395 K CA 1.673 58.138 56.287 0.295 0.000 0.929 395 K CB 0.167 32.688 32.500 0.035 0.000 0.720 395 K HN 0.653 nan 8.250 nan 0.000 0.453 396 E N -0.381 119.895 120.200 0.127 0.000 2.028 396 E HA -0.116 4.249 4.350 0.026 0.000 0.191 396 E C 2.036 178.710 176.600 0.122 0.000 0.988 396 E CA 1.562 58.017 56.400 0.092 0.000 0.799 396 E CB -0.131 29.581 29.700 0.019 0.000 0.755 396 E HN 0.266 nan 8.360 nan 0.000 0.447 397 T N 1.160 115.786 114.554 0.119 0.000 2.708 397 T HA -0.204 4.162 4.350 0.026 0.000 0.266 397 T C 1.287 176.145 174.700 0.262 0.000 1.037 397 T CA 1.108 63.286 62.100 0.130 0.000 1.146 397 T CB -0.459 68.448 68.868 0.064 0.000 0.865 397 T HN 0.422 nan 8.240 nan 0.000 0.435 398 W N 2.094 123.516 121.300 0.203 0.000 2.315 398 W HA -0.259 4.415 4.660 0.024 0.000 0.323 398 W C 2.284 179.122 176.519 0.531 0.000 1.233 398 W CA 1.865 59.417 57.345 0.346 0.000 1.267 398 W CB -0.275 29.438 29.460 0.421 0.000 1.160 398 W HN 0.247 nan 8.180 nan 0.000 0.474 399 E N 0.239 120.576 120.200 0.229 0.000 2.070 399 E HA -0.222 4.144 4.350 0.026 0.000 0.197 399 E C 2.095 178.507 176.600 -0.314 0.000 1.004 399 E CA 3.084 59.443 56.400 -0.067 0.000 0.805 399 E CB -0.773 28.969 29.700 0.070 0.000 0.744 399 E HN 0.094 nan 8.360 nan 0.000 0.451 400 T N -0.279 114.212 114.554 -0.106 0.000 2.652 400 T HA -0.179 4.187 4.350 0.026 0.000 0.267 400 T C 1.191 175.812 174.700 -0.132 0.000 1.039 400 T CA 1.516 63.550 62.100 -0.111 0.000 1.153 400 T CB -0.664 68.200 68.868 -0.006 0.000 0.863 400 T HN 0.441 nan 8.240 nan 0.000 0.428 401 W N 2.012 123.182 121.300 -0.217 0.000 2.338 401 W HA -0.137 4.542 4.660 0.032 0.000 0.325 401 W C 2.416 178.777 176.519 -0.263 0.000 1.206 401 W CA 1.608 58.835 57.345 -0.197 0.000 1.257 401 W CB -0.775 28.598 29.460 -0.146 0.000 1.184 401 W HN 0.470 nan 8.180 nan 0.000 0.456 402 W N 0.525 121.475 121.300 -0.584 0.000 2.333 402 W HA -0.214 4.460 4.660 0.023 0.000 0.316 402 W C 1.743 177.919 176.519 -0.572 0.000 1.215 402 W CA 1.933 58.725 57.345 -0.922 0.000 1.278 402 W CB -1.913 26.955 29.460 -0.986 0.000 1.154 402 W HN -0.040 nan 8.180 nan 0.000 0.486 403 T N 1.290 114.848 114.554 -1.660 0.000 2.848 403 T HA -0.213 4.153 4.350 0.026 0.000 0.269 403 T C 1.272 175.563 174.700 -0.680 0.000 1.081 403 T CA 2.191 63.375 62.100 -1.526 0.000 1.125 403 T CB -0.197 67.868 68.868 -1.339 0.000 0.848 403 T HN 0.188 nan 8.240 nan 0.000 0.503 404 E N -1.015 118.866 120.200 -0.531 0.000 2.601 404 E HA 0.164 4.530 4.350 0.026 0.000 0.219 404 E C -0.417 176.020 176.600 -0.271 0.000 0.964 404 E CA -0.303 55.902 56.400 -0.324 0.000 1.050 404 E CB 0.224 29.778 29.700 -0.243 0.000 1.068 404 E HN 0.511 nan 8.360 nan 0.000 0.496 405 Y N 2.102 122.033 120.300 -0.615 0.000 2.397 405 Y HA -0.093 4.475 4.550 0.029 0.000 0.335 405 Y C 1.579 177.258 175.900 -0.369 0.000 1.213 405 Y CA -0.360 57.345 58.100 -0.659 0.000 1.391 405 Y CB 0.436 38.118 38.460 -1.297 0.000 1.293 405 Y HN 0.128 nan 8.280 nan 0.000 0.557 406 W N 3.745 124.630 121.300 -0.692 0.000 2.421 406 W HA -0.081 4.595 4.660 0.027 0.000 0.270 406 W C -0.430 175.897 176.519 -0.321 0.000 1.233 406 W CA 0.479 57.552 57.345 -0.453 0.000 1.226 406 W CB -0.255 28.932 29.460 -0.455 0.000 1.121 406 W HN 0.538 nan 8.180 nan 0.000 0.579 407 Q N 1.210 120.255 119.800 -1.258 0.000 2.282 407 Q HA 0.517 4.873 4.340 0.026 0.000 0.260 407 Q C -0.295 175.499 176.000 -0.343 0.000 0.964 407 Q CA -0.517 54.674 55.803 -1.020 0.000 0.880 407 Q CB 2.012 29.729 28.738 -1.701 0.000 1.286 407 Q HN 0.037 nan 8.270 nan 0.000 0.445 408 A N 2.768 125.479 122.820 -0.182 0.000 2.524 408 A HA 0.321 4.657 4.320 0.026 0.000 0.250 408 A C -0.073 177.515 177.584 0.007 0.000 1.078 408 A CA 0.560 52.573 52.037 -0.040 0.000 0.761 408 A CB 0.413 19.399 19.000 -0.023 0.000 1.012 408 A HN 0.659 nan 8.150 nan 0.000 0.500 409 T N 1.506 116.120 114.554 0.100 0.000 2.843 409 T HA 0.613 4.979 4.350 0.026 0.000 0.302 409 T C -1.826 173.046 174.700 0.286 0.000 1.232 409 T CA -0.317 61.901 62.100 0.198 0.000 1.009 409 T CB 0.869 69.937 68.868 0.334 0.000 1.254 409 T HN 1.041 nan 8.240 nan 0.000 0.504 410 W N 2.632 123.946 121.300 0.022 0.000 3.066 410 W HA 0.747 5.425 4.660 0.030 0.000 0.330 410 W C -2.455 173.918 176.519 -0.243 0.000 1.253 410 W CA -1.028 56.271 57.345 -0.077 0.000 1.187 410 W CB 1.036 30.416 29.460 -0.133 0.000 1.434 410 W HN 0.659 nan 8.180 nan 0.000 0.572 411 I N 4.907 124.801 120.570 -1.127 0.000 2.534 411 I HA 0.237 4.423 4.170 0.026 0.000 0.286 411 I C -2.053 173.072 176.117 -1.653 0.000 1.094 411 I CA -1.941 58.543 61.300 -1.360 0.000 1.055 411 I CB 2.080 39.069 38.000 -1.685 0.000 1.225 411 I HN 0.057 nan 8.210 nan 0.000 0.435 412 P HA -0.020 nan 4.420 nan 0.000 0.278 412 P C -0.230 176.848 177.300 -0.370 0.000 1.270 412 P CA -0.347 62.072 63.100 -1.135 0.000 0.800 412 P CB 0.388 31.813 31.700 -0.458 0.000 1.142 413 E N 0.722 120.872 120.200 -0.083 0.000 2.765 413 E HA -0.081 4.285 4.350 0.026 0.000 0.256 413 E C -0.531 176.168 176.600 0.165 0.000 0.935 413 E CA 1.026 57.451 56.400 0.042 0.000 0.954 413 E CB -0.141 29.580 29.700 0.034 0.000 0.908 413 E HN 0.421 nan 8.360 nan 0.000 0.500 414 W N 2.555 123.795 121.300 -0.100 0.000 3.074 414 W HA 0.622 5.294 4.660 0.019 0.000 0.332 414 W C -1.066 175.436 176.519 -0.028 0.000 1.253 414 W CA -0.850 56.457 57.345 -0.063 0.000 1.180 414 W CB 0.804 30.153 29.460 -0.184 0.000 1.445 414 W HN 0.399 nan 8.180 nan 0.000 0.573 415 E N 1.510 121.767 120.200 0.095 0.000 2.314 415 E HA 0.407 4.773 4.350 0.026 0.000 0.272 415 E C -1.770 174.952 176.600 0.202 0.000 0.884 415 E CA -0.859 55.493 56.400 -0.079 0.000 0.753 415 E CB 2.753 32.429 29.700 -0.040 0.000 1.213 415 E HN 0.279 nan 8.360 nan 0.000 0.432 416 F N 4.346 124.270 119.950 -0.044 0.000 2.443 416 F HA 0.397 4.930 4.527 0.009 0.000 0.353 416 F C -1.028 174.838 175.800 0.109 0.000 1.101 416 F CA -0.433 57.659 58.000 0.153 0.000 1.226 416 F CB 1.134 40.190 39.000 0.093 0.000 1.140 416 F HN 0.122 nan 8.300 nan 0.000 0.557 417 V N 7.151 126.771 119.914 -0.489 0.000 2.447 417 V HA 0.316 4.452 4.120 0.026 0.000 0.292 417 V C -0.850 174.771 176.094 -0.788 0.000 1.021 417 V CA -0.770 61.204 62.300 -0.544 0.000 0.850 417 V CB 1.162 32.914 31.823 -0.118 0.000 1.005 417 V HN 0.832 nan 8.190 nan 0.000 0.426 418 N N 4.564 122.683 118.700 -0.968 0.000 2.819 418 N HA 0.205 4.961 4.740 0.026 0.000 0.284 418 N C -0.384 175.068 175.510 -0.097 0.000 1.196 418 N CA 0.247 53.044 53.050 -0.422 0.000 1.114 418 N CB 0.028 38.400 38.487 -0.192 0.000 1.437 418 N HN 0.714 nan 8.380 nan 0.000 0.518 419 T N 3.712 118.256 114.554 -0.017 0.000 2.977 419 T HA 0.339 4.705 4.350 0.026 0.000 0.346 419 T C -2.494 172.246 174.700 0.067 0.000 1.140 419 T CA -1.186 60.929 62.100 0.024 0.000 1.040 419 T CB 1.318 70.204 68.868 0.029 0.000 1.046 419 T HN 0.273 nan 8.240 nan 0.000 0.494 420 P HA 0.167 nan 4.420 nan 0.000 0.268 420 P C -2.183 175.145 177.300 0.046 0.000 1.208 420 P CA -0.952 62.185 63.100 0.061 0.000 0.777 420 P CB -0.113 31.616 31.700 0.048 0.000 0.875 421 P HA 0.207 nan 4.420 nan 0.000 0.285 421 P C -0.794 176.543 177.300 0.062 0.000 1.259 421 P CA -0.068 63.057 63.100 0.042 0.000 0.794 421 P CB 0.768 32.487 31.700 0.031 0.000 0.940 422 L N 2.811 124.077 121.223 0.072 0.000 2.395 422 L HA 0.288 4.644 4.340 0.026 0.000 0.269 422 L C 1.106 177.996 176.870 0.033 0.000 1.133 422 L CA -1.080 53.825 54.840 0.108 0.000 0.812 422 L CB 1.103 43.246 42.059 0.140 0.000 1.125 422 L HN 0.266 nan 8.230 nan 0.000 0.452 423 V N 1.643 121.593 119.914 0.061 0.000 2.649 423 V HA 0.505 4.641 4.120 0.026 0.000 0.292 423 V C -0.190 175.856 176.094 -0.081 0.000 1.055 423 V CA -0.290 62.021 62.300 0.018 0.000 1.023 423 V CB 1.146 33.041 31.823 0.120 0.000 0.992 423 V HN 0.960 nan 8.190 nan 0.000 0.480 424 K N 4.535 124.810 120.400 -0.208 0.000 2.466 424 K HA 0.649 4.985 4.320 0.026 0.000 0.277 424 K C -1.415 175.000 176.600 -0.308 0.000 1.039 424 K CA -1.177 54.955 56.287 -0.259 0.000 0.904 424 K CB 1.820 34.118 32.500 -0.338 0.000 1.506 424 K HN 0.607 nan 8.250 nan 0.000 0.441 425 L N 2.256 123.347 121.223 -0.218 0.000 2.278 425 L HA 0.216 4.572 4.340 0.026 0.000 0.287 425 L C 0.147 176.907 176.870 -0.183 0.000 1.072 425 L CA -0.640 54.116 54.840 -0.141 0.000 0.819 425 L CB 0.166 42.201 42.059 -0.041 0.000 1.176 425 L HN 0.693 nan 8.230 nan 0.000 0.435 426 W N 3.487 124.737 121.300 -0.084 0.000 2.421 426 W HA -0.100 4.577 4.660 0.029 0.000 0.270 426 W C 0.414 177.015 176.519 0.135 0.000 1.233 426 W CA 0.455 57.810 57.345 0.017 0.000 1.226 426 W CB -0.191 29.304 29.460 0.058 0.000 1.121 426 W HN 0.533 nan 8.180 nan 0.000 0.579 427 Y N -3.846 116.597 120.300 0.238 0.000 2.774 427 Y HA 0.449 5.014 4.550 0.025 0.000 0.346 427 Y C -1.225 174.765 175.900 0.150 0.000 1.222 427 Y CA -1.969 56.233 58.100 0.170 0.000 1.088 427 Y CB 0.373 38.937 38.460 0.174 0.000 1.354 427 Y HN -0.201 nan 8.280 nan 0.000 0.455 428 Q N 2.866 122.910 119.800 0.407 0.000 2.374 428 Q HA 0.414 4.769 4.340 0.026 0.000 0.250 428 Q C -1.403 174.772 176.000 0.292 0.000 0.918 428 Q CA -0.692 55.281 55.803 0.284 0.000 0.778 428 Q CB 2.718 31.549 28.738 0.156 0.000 1.328 428 Q HN 0.707 nan 8.270 nan 0.000 0.445 429 L N 2.487 123.903 121.223 0.322 0.000 2.559 429 L HA -0.013 4.343 4.340 0.026 0.000 0.282 429 L C 0.925 177.911 176.870 0.193 0.000 1.232 429 L CA 0.263 55.233 54.840 0.217 0.000 0.885 429 L CB 0.105 42.268 42.059 0.173 0.000 1.131 429 L HN 0.401 nan 8.230 nan 0.000 0.498 430 E N 3.323 123.651 120.200 0.214 0.000 2.436 430 E HA -0.025 4.340 4.350 0.026 0.000 0.262 430 E C 0.573 177.339 176.600 0.277 0.000 1.063 430 E CA -0.072 56.458 56.400 0.217 0.000 0.944 430 E CB 0.618 30.446 29.700 0.214 0.000 0.950 430 E HN 0.378 nan 8.360 nan 0.000 0.444 431 K N 0.913 121.413 120.400 0.168 0.000 2.243 431 K HA 0.067 4.403 4.320 0.026 0.000 0.201 431 K C 0.357 177.048 176.600 0.152 0.000 1.051 431 K CA 0.740 57.122 56.287 0.158 0.000 0.970 431 K CB 0.421 32.964 32.500 0.070 0.000 0.755 431 K HN 0.378 nan 8.250 nan 0.000 0.465 432 E N 0.279 120.453 120.200 -0.043 0.000 2.343 432 E HA 0.358 4.724 4.350 0.026 0.000 0.270 432 E C -2.675 173.407 176.600 -0.864 0.000 0.895 432 E CA -2.636 53.537 56.400 -0.379 0.000 0.767 432 E CB 1.779 31.360 29.700 -0.198 0.000 1.248 432 E HN -0.218 nan 8.360 nan 0.000 0.440 433 P HA 0.016 nan 4.420 nan 0.000 0.266 433 P C -0.338 176.739 177.300 -0.372 0.000 1.186 433 P CA 0.538 63.060 63.100 -0.963 0.000 0.767 433 P CB 0.338 31.738 31.700 -0.500 0.000 0.820 434 I N 2.414 122.885 120.570 -0.166 0.000 2.291 434 I HA 0.106 4.291 4.170 0.026 0.000 0.290 434 I C 0.101 176.192 176.117 -0.043 0.000 1.050 434 I CA -0.864 60.394 61.300 -0.070 0.000 1.245 434 I CB 0.805 38.803 38.000 -0.004 0.000 1.405 434 I HN 0.022 nan 8.210 nan 0.000 0.478 435 V N 6.682 126.567 119.914 -0.048 0.000 2.673 435 V HA 0.174 4.310 4.120 0.026 0.000 0.303 435 V C 1.340 177.427 176.094 -0.012 0.000 1.046 435 V CA 1.587 63.870 62.300 -0.028 0.000 1.126 435 V CB 0.404 32.210 31.823 -0.029 0.000 0.934 435 V HN 1.154 nan 8.190 nan 0.000 0.487 436 G N 3.738 112.536 108.800 -0.003 0.000 2.729 436 G HA2 -0.165 3.810 3.960 0.026 0.000 0.216 436 G HA3 -0.165 3.810 3.960 0.026 0.000 0.216 436 G C 0.600 175.507 174.900 0.012 0.000 1.252 436 G CA 0.160 45.262 45.100 0.004 0.000 0.751 436 G HN 1.633 nan 8.290 nan 0.000 0.527 437 A N 1.062 123.892 122.820 0.017 0.000 2.483 437 A HA 0.539 4.875 4.320 0.026 0.000 0.238 437 A C 0.534 178.146 177.584 0.047 0.000 1.070 437 A CA 1.081 53.138 52.037 0.034 0.000 0.770 437 A CB 0.203 19.226 19.000 0.038 0.000 1.008 437 A HN 0.912 nan 8.150 nan 0.000 0.497 438 E N 0.536 120.780 120.200 0.073 0.000 2.415 438 E HA 0.187 4.552 4.350 0.026 0.000 0.262 438 E C -0.661 176.015 176.600 0.127 0.000 1.038 438 E CA 0.274 56.721 56.400 0.078 0.000 0.921 438 E CB 0.403 30.172 29.700 0.115 0.000 0.950 438 E HN 0.524 nan 8.360 nan 0.000 0.438 439 T N 5.073 119.659 114.554 0.052 0.000 2.874 439 T HA 0.268 4.634 4.350 0.026 0.000 0.321 439 T C -0.992 173.707 174.700 -0.001 0.000 1.075 439 T CA -0.415 61.707 62.100 0.037 0.000 0.966 439 T CB -0.156 68.706 68.868 -0.010 0.000 1.001 439 T HN 0.239 nan 8.240 nan 0.000 0.476 440 F N 3.000 122.853 119.950 -0.161 0.000 2.404 440 F HA 0.324 4.868 4.527 0.028 0.000 0.359 440 F C 0.240 175.973 175.800 -0.112 0.000 1.134 440 F CA -1.217 56.702 58.000 -0.137 0.000 1.160 440 F CB 0.151 39.021 39.000 -0.217 0.000 1.186 440 F HN 0.518 nan 8.300 nan 0.000 0.526 441 Y N 3.482 123.860 120.300 0.129 0.000 2.504 441 Y HA 0.388 4.954 4.550 0.027 0.000 0.351 441 Y C 0.344 176.339 175.900 0.158 0.000 0.988 441 Y CA -0.664 57.498 58.100 0.104 0.000 1.239 441 Y CB 0.589 39.076 38.460 0.046 0.000 1.128 441 Y HN 0.383 nan 8.280 nan 0.000 0.525 442 V N 0.535 120.588 119.914 0.231 0.000 2.732 442 V HA 0.763 4.899 4.120 0.026 0.000 0.310 442 V C -0.831 175.348 176.094 0.142 0.000 1.053 442 V CA -0.534 61.901 62.300 0.225 0.000 0.957 442 V CB 2.103 34.050 31.823 0.207 0.000 1.018 442 V HN 0.607 nan 8.190 nan 0.000 0.452 443 D N 1.583 122.052 120.400 0.114 0.000 2.878 443 D HA 0.639 5.294 4.640 0.026 0.000 0.211 443 D C -0.441 175.884 176.300 0.041 0.000 1.271 443 D CA 0.343 54.380 54.000 0.061 0.000 0.845 443 D CB 1.954 42.777 40.800 0.039 0.000 1.679 443 D HN 1.156 nan 8.370 nan 0.000 0.536 444 G N 0.599 109.417 108.800 0.030 0.000 2.524 444 G HA2 0.842 4.818 3.960 0.026 0.000 0.310 444 G HA3 0.842 4.818 3.960 0.026 0.000 0.310 444 G C -1.338 173.565 174.900 0.004 0.000 1.279 444 G CA -0.471 44.640 45.100 0.018 0.000 0.974 444 G HN 0.560 nan 8.290 nan 0.000 0.484 445 A N -0.178 122.641 122.820 -0.002 0.000 2.574 445 A HA 1.012 5.348 4.320 0.026 0.000 0.297 445 A C -0.588 176.994 177.584 -0.004 0.000 1.062 445 A CA -0.092 51.942 52.037 -0.006 0.000 0.686 445 A CB 1.751 20.743 19.000 -0.014 0.000 1.285 445 A HN 2.367 nan 8.150 nan 0.000 0.403 446 A N 1.446 124.265 122.820 -0.001 0.000 2.566 446 A HA 0.653 4.988 4.320 0.026 0.000 0.297 446 A C -0.995 176.591 177.584 0.004 0.000 1.059 446 A CA -0.637 51.399 52.037 -0.001 0.000 0.691 446 A CB 1.082 20.079 19.000 -0.004 0.000 1.282 446 A HN 0.918 nan 8.150 nan 0.000 0.401 447 N N 1.591 120.294 118.700 0.004 0.000 2.416 447 N HA 0.032 4.787 4.740 0.026 0.000 0.265 447 N C 1.049 176.562 175.510 0.005 0.000 1.195 447 N CA -0.076 52.978 53.050 0.007 0.000 0.943 447 N CB 0.503 38.993 38.487 0.006 0.000 1.115 447 N HN 0.682 nan 8.380 nan 0.000 0.481 448 R N 2.542 123.046 120.500 0.008 0.000 2.249 448 R HA -0.116 4.240 4.340 0.026 0.000 0.230 448 R C 0.897 177.199 176.300 0.003 0.000 1.121 448 R CA 1.106 57.209 56.100 0.005 0.000 0.997 448 R CB 0.241 30.546 30.300 0.009 0.000 0.867 448 R HN 0.674 nan 8.270 nan 0.000 0.465 449 E N 0.059 120.262 120.200 0.005 0.000 2.075 449 E HA -0.073 4.293 4.350 0.026 0.000 0.190 449 E C 2.087 178.688 176.600 0.002 0.000 0.969 449 E CA 1.594 57.997 56.400 0.004 0.000 0.815 449 E CB -0.090 29.613 29.700 0.005 0.000 0.776 449 E HN 0.390 nan 8.360 nan 0.000 0.457 450 T N -0.693 113.862 114.554 0.002 0.000 2.951 450 T HA -0.039 4.327 4.350 0.026 0.000 0.268 450 T C 0.933 175.632 174.700 -0.002 0.000 1.073 450 T CA 0.684 62.785 62.100 0.000 0.000 1.134 450 T CB -0.148 68.720 68.868 0.001 0.000 0.884 450 T HN 0.094 nan 8.240 nan 0.000 0.479 451 K N 0.533 120.931 120.400 -0.002 0.000 3.291 451 K HA -0.086 4.250 4.320 0.026 0.000 0.290 451 K C -0.701 175.896 176.600 -0.006 0.000 1.235 451 K CA 0.117 56.401 56.287 -0.005 0.000 0.848 451 K CB -1.777 30.719 32.500 -0.007 0.000 1.295 451 K HN 0.349 nan 8.250 nan 0.000 0.497 452 L N 0.455 121.675 121.223 -0.004 0.000 2.334 452 L HA 0.734 5.090 4.340 0.026 0.000 0.275 452 L C 1.024 177.891 176.870 -0.004 0.000 1.036 452 L CA 0.206 55.044 54.840 -0.004 0.000 0.807 452 L CB 1.462 43.519 42.059 -0.003 0.000 1.231 452 L HN 0.342 nan 8.230 nan 0.000 0.438 453 G N 1.982 110.778 108.800 -0.005 0.000 2.606 453 G HA2 0.598 4.574 3.960 0.026 0.000 0.300 453 G HA3 0.598 4.574 3.960 0.026 0.000 0.300 453 G C -1.597 173.299 174.900 -0.007 0.000 1.360 453 G CA -0.551 44.546 45.100 -0.005 0.000 0.783 453 G HN 0.408 nan 8.290 nan 0.000 0.484 454 K N -0.576 119.820 120.400 -0.007 0.000 2.513 454 K HA 0.673 5.009 4.320 0.026 0.000 0.251 454 K C -1.092 175.504 176.600 -0.007 0.000 0.939 454 K CA -0.685 55.595 56.287 -0.011 0.000 0.793 454 K CB 2.644 35.135 32.500 -0.016 0.000 1.241 454 K HN 0.800 nan 8.250 nan 0.000 0.431 455 A N 1.719 124.534 122.820 -0.008 0.000 2.330 455 A HA 0.900 5.236 4.320 0.026 0.000 0.313 455 A C -0.437 177.131 177.584 -0.026 0.000 1.124 455 A CA -0.465 51.576 52.037 0.005 0.000 0.774 455 A CB 1.577 20.595 19.000 0.029 0.000 1.198 455 A HN 0.801 nan 8.150 nan 0.000 0.465 456 G N 0.198 108.986 108.800 -0.020 0.000 2.663 456 G HA2 0.728 4.704 3.960 0.026 0.000 0.299 456 G HA3 0.728 4.704 3.960 0.026 0.000 0.299 456 G C -1.445 173.467 174.900 0.019 0.000 1.372 456 G CA -0.108 44.922 45.100 -0.117 0.000 0.781 456 G HN 1.717 nan 8.290 nan 0.000 0.491 457 Y N -2.680 117.681 120.300 0.102 0.000 2.638 457 Y HA 0.813 5.378 4.550 0.026 0.000 0.335 457 Y C -1.301 174.633 175.900 0.056 0.000 1.155 457 Y CA -2.130 56.050 58.100 0.132 0.000 1.046 457 Y CB 1.398 40.030 38.460 0.286 0.000 1.303 457 Y HN 0.601 nan 8.280 nan 0.000 0.460 458 V N 2.179 122.318 119.914 0.375 0.000 2.567 458 V HA 0.551 4.687 4.120 0.026 0.000 0.298 458 V C -0.207 175.942 176.094 0.090 0.000 1.047 458 V CA -0.176 62.240 62.300 0.194 0.000 0.880 458 V CB 1.649 33.529 31.823 0.095 0.000 1.009 458 V HN 1.144 nan 8.190 nan 0.000 0.429 459 T N 0.570 115.047 114.554 -0.128 0.000 2.881 459 T HA 0.265 4.631 4.350 0.026 0.000 0.278 459 T C 1.199 175.850 174.700 -0.081 0.000 0.982 459 T CA -0.251 61.683 62.100 -0.278 0.000 0.989 459 T CB 1.117 69.556 68.868 -0.714 0.000 1.058 459 T HN 0.649 nan 8.240 nan 0.000 0.529 460 N N 1.105 119.786 118.700 -0.031 0.000 2.331 460 N HA -0.127 4.629 4.740 0.026 0.000 0.180 460 N C 1.534 177.023 175.510 -0.035 0.000 1.019 460 N CA 0.598 53.655 53.050 0.012 0.000 0.881 460 N CB -0.343 38.176 38.487 0.053 0.000 0.972 460 N HN 0.633 nan 8.380 nan 0.000 0.435 461 R N -0.221 120.232 120.500 -0.079 0.000 2.189 461 R HA 0.056 4.412 4.340 0.026 0.000 0.218 461 R C 1.171 177.433 176.300 -0.063 0.000 1.074 461 R CA 0.980 57.038 56.100 -0.070 0.000 0.991 461 R CB -0.027 30.219 30.300 -0.090 0.000 0.883 461 R HN 0.538 nan 8.270 nan 0.000 0.457 462 G N 0.487 109.243 108.800 -0.074 0.000 2.380 462 G HA2 -0.234 3.741 3.960 0.026 0.000 0.197 462 G HA3 -0.234 3.741 3.960 0.026 0.000 0.197 462 G C 0.092 174.969 174.900 -0.038 0.000 1.001 462 G CA -0.386 44.687 45.100 -0.046 0.000 0.668 462 G HN 0.245 nan 8.290 nan 0.000 0.483 463 R N 1.744 122.198 120.500 -0.076 0.000 2.570 463 R HA 0.435 4.791 4.340 0.026 0.000 0.277 463 R C 0.346 176.714 176.300 0.113 0.000 1.039 463 R CA 0.988 57.080 56.100 -0.013 0.000 1.065 463 R CB 0.128 30.354 30.300 -0.123 0.000 0.964 463 R HN 0.649 nan 8.270 nan 0.000 0.428 464 Q N 2.682 122.610 119.800 0.214 0.000 2.565 464 Q HA 0.544 4.900 4.340 0.026 0.000 0.294 464 Q C -1.694 174.245 176.000 -0.101 0.000 1.005 464 Q CA -1.228 54.672 55.803 0.162 0.000 0.771 464 Q CB 2.382 31.145 28.738 0.042 0.000 1.486 464 Q HN 0.539 nan 8.270 nan 0.000 0.422 465 K N 0.234 120.370 120.400 -0.441 0.000 2.639 465 K HA 0.566 4.902 4.320 0.026 0.000 0.279 465 K C -2.202 174.178 176.600 -0.367 0.000 0.976 465 K CA -0.611 55.398 56.287 -0.464 0.000 0.861 465 K CB 2.505 34.580 32.500 -0.708 0.000 1.436 465 K HN 0.521 nan 8.250 nan 0.000 0.400 466 V N 2.415 122.204 119.914 -0.209 0.000 2.752 466 V HA 0.412 4.547 4.120 0.026 0.000 0.302 466 V C -1.026 175.016 176.094 -0.086 0.000 1.133 466 V CA -0.873 61.348 62.300 -0.132 0.000 0.919 466 V CB 1.696 33.467 31.823 -0.086 0.000 1.026 466 V HN 0.586 nan 8.190 nan 0.000 0.429 467 V N 0.675 120.552 119.914 -0.062 0.000 2.540 467 V HA 0.755 4.891 4.120 0.026 0.000 0.302 467 V C -0.025 176.057 176.094 -0.021 0.000 1.035 467 V CA -0.416 61.864 62.300 -0.034 0.000 0.873 467 V CB 1.672 33.483 31.823 -0.019 0.000 0.992 467 V HN 0.749 nan 8.190 nan 0.000 0.428 468 T N 6.310 120.855 114.554 -0.016 0.000 2.889 468 T HA 0.700 5.066 4.350 0.026 0.000 0.291 468 T C -0.258 174.438 174.700 -0.006 0.000 0.995 468 T CA -0.076 62.018 62.100 -0.011 0.000 1.092 468 T CB 0.608 69.470 68.868 -0.010 0.000 0.954 468 T HN 0.629 nan 8.240 nan 0.000 0.506 469 L N 2.866 124.086 121.223 -0.005 0.000 2.381 469 L HA 0.647 5.003 4.340 0.026 0.000 0.268 469 L C 0.455 177.321 176.870 -0.006 0.000 0.997 469 L CA -1.142 53.696 54.840 -0.004 0.000 0.818 469 L CB 2.205 44.262 42.059 -0.003 0.000 1.310 469 L HN 0.656 nan 8.230 nan 0.000 0.416 470 T N -2.783 111.767 114.554 -0.006 0.000 2.888 470 T HA 0.421 4.786 4.350 0.026 0.000 0.284 470 T C -0.121 174.573 174.700 -0.009 0.000 1.017 470 T CA -0.520 61.577 62.100 -0.007 0.000 1.022 470 T CB 1.628 70.493 68.868 -0.005 0.000 1.013 470 T HN 0.708 nan 8.240 nan 0.000 0.465 471 D N 0.213 120.608 120.400 -0.009 0.000 2.812 471 D HA -0.165 4.490 4.640 0.026 0.000 0.237 471 D C -0.050 176.241 176.300 -0.016 0.000 1.162 471 D CA 1.706 55.700 54.000 -0.011 0.000 0.740 471 D CB -0.936 39.858 40.800 -0.010 0.000 1.000 471 D HN 0.927 nan 8.370 nan 0.000 0.416 472 T N -1.070 113.474 114.554 -0.016 0.000 2.633 472 T HA 0.857 5.222 4.350 0.026 0.000 0.262 472 T C -0.240 174.446 174.700 -0.023 0.000 0.920 472 T CA 0.420 62.507 62.100 -0.022 0.000 1.062 472 T CB 1.516 70.373 68.868 -0.020 0.000 1.390 472 T HN 0.372 nan 8.240 nan 0.000 0.549 473 T N -0.858 113.679 114.554 -0.028 0.000 2.812 473 T HA 0.438 4.804 4.350 0.026 0.000 0.294 473 T C 0.670 175.355 174.700 -0.024 0.000 1.159 473 T CA -0.699 61.385 62.100 -0.026 0.000 1.008 473 T CB 1.224 70.070 68.868 -0.037 0.000 1.289 473 T HN 0.484 nan 8.240 nan 0.000 0.514 474 N N -0.082 118.608 118.700 -0.016 0.000 2.106 474 N HA -0.116 4.640 4.740 0.026 0.000 0.188 474 N C 2.000 177.499 175.510 -0.018 0.000 1.029 474 N CA 1.571 54.616 53.050 -0.008 0.000 0.848 474 N CB -0.185 38.306 38.487 0.006 0.000 1.007 474 N HN 0.733 nan 8.380 nan 0.000 0.423 475 Q N 0.664 120.442 119.800 -0.038 0.000 2.077 475 Q HA -0.240 4.116 4.340 0.026 0.000 0.206 475 Q C 1.513 177.449 176.000 -0.106 0.000 0.989 475 Q CA 1.640 57.395 55.803 -0.080 0.000 0.853 475 Q CB 0.012 28.666 28.738 -0.140 0.000 0.907 475 Q HN 0.314 nan 8.270 nan 0.000 0.418 476 K N -0.533 119.810 120.400 -0.095 0.000 2.155 476 K HA -0.076 4.260 4.320 0.026 0.000 0.203 476 K C 2.233 178.808 176.600 -0.041 0.000 1.052 476 K CA 1.541 57.776 56.287 -0.087 0.000 0.948 476 K CB 0.019 32.471 32.500 -0.081 0.000 0.728 476 K HN 0.465 nan 8.250 nan 0.000 0.448 477 T N -0.858 113.683 114.554 -0.023 0.000 2.777 477 T HA -0.110 4.256 4.350 0.026 0.000 0.266 477 T C 1.683 176.392 174.700 0.017 0.000 1.040 477 T CA 0.986 63.086 62.100 -0.001 0.000 1.141 477 T CB -0.194 68.674 68.868 -0.001 0.000 0.868 477 T HN 0.221 nan 8.240 nan 0.000 0.444 478 E N 1.169 121.377 120.200 0.014 0.000 2.051 478 E HA -0.013 4.353 4.350 0.026 0.000 0.192 478 E C 2.252 178.884 176.600 0.052 0.000 0.991 478 E CA 1.155 57.578 56.400 0.039 0.000 0.799 478 E CB -0.351 29.377 29.700 0.047 0.000 0.748 478 E HN 0.453 nan 8.360 nan 0.000 0.449 479 L N 0.681 121.917 121.223 0.022 0.000 2.141 479 L HA -0.188 4.168 4.340 0.026 0.000 0.209 479 L C 2.642 179.554 176.870 0.070 0.000 1.094 479 L CA 0.728 55.586 54.840 0.031 0.000 0.763 479 L CB -0.162 41.863 42.059 -0.057 0.000 0.908 479 L HN 0.124 nan 8.230 nan 0.000 0.437 480 Q N 0.450 120.282 119.800 0.054 0.000 2.170 480 Q HA -0.155 4.201 4.340 0.026 0.000 0.203 480 Q C 2.123 178.211 176.000 0.148 0.000 0.976 480 Q CA 1.888 57.755 55.803 0.107 0.000 0.858 480 Q CB -0.155 28.618 28.738 0.059 0.000 0.907 480 Q HN 0.426 nan 8.270 nan 0.000 0.433 481 A N 0.513 123.398 122.820 0.108 0.000 1.845 481 A HA -0.157 4.179 4.320 0.026 0.000 0.215 481 A C 2.147 179.819 177.584 0.146 0.000 1.195 481 A CA 1.642 53.753 52.037 0.123 0.000 0.616 481 A CB -0.933 18.129 19.000 0.105 0.000 0.832 481 A HN 0.466 nan 8.150 nan 0.000 0.443 482 I N -1.803 118.838 120.570 0.119 0.000 2.315 482 I HA -0.301 3.885 4.170 0.026 0.000 0.251 482 I C 2.484 178.646 176.117 0.075 0.000 1.125 482 I CA 1.861 63.210 61.300 0.082 0.000 1.392 482 I CB -0.404 37.644 38.000 0.079 0.000 1.065 482 I HN 0.550 nan 8.210 nan 0.000 0.424 483 Y N 1.527 121.828 120.300 0.001 0.000 2.200 483 Y HA -0.169 4.396 4.550 0.025 0.000 0.290 483 Y C 2.235 178.134 175.900 -0.002 0.000 1.137 483 Y CA 1.429 59.520 58.100 -0.014 0.000 1.163 483 Y CB -0.291 38.165 38.460 -0.007 0.000 0.988 483 Y HN 0.016 nan 8.280 nan 0.000 0.518 484 L N -0.487 120.715 121.223 -0.033 0.000 2.056 484 L HA -0.180 4.176 4.340 0.026 0.000 0.207 484 L C 2.767 179.652 176.870 0.025 0.000 1.078 484 L CA 1.171 56.006 54.840 -0.009 0.000 0.749 484 L CB -1.026 41.120 42.059 0.145 0.000 0.901 484 L HN 0.249 nan 8.230 nan 0.000 0.433 485 A N 0.110 122.928 122.820 -0.003 0.000 1.940 485 A HA -0.167 4.169 4.320 0.026 0.000 0.219 485 A C 2.265 179.356 177.584 -0.822 0.000 1.176 485 A CA 1.544 53.263 52.037 -0.531 0.000 0.631 485 A CB -0.671 18.092 19.000 -0.395 0.000 0.814 485 A HN 0.377 nan 8.150 nan 0.000 0.446 486 L N -1.078 119.863 121.223 -0.471 0.000 2.109 486 L HA -0.200 4.156 4.340 0.026 0.000 0.207 486 L C 2.885 179.535 176.870 -0.367 0.000 1.086 486 L CA 1.293 55.889 54.840 -0.406 0.000 0.760 486 L CB -0.479 41.416 42.059 -0.274 0.000 0.910 486 L HN 0.477 nan 8.230 nan 0.000 0.437 487 Q N -0.114 119.448 119.800 -0.396 0.000 1.994 487 Q HA -0.166 4.190 4.340 0.026 0.000 0.198 487 Q C 1.351 177.256 176.000 -0.158 0.000 0.976 487 Q CA 1.368 56.999 55.803 -0.287 0.000 0.828 487 Q CB -0.121 28.420 28.738 -0.328 0.000 0.894 487 Q HN 0.425 nan 8.270 nan 0.000 0.432 488 D N 0.885 121.224 120.400 -0.100 0.000 2.378 488 D HA -0.034 4.622 4.640 0.026 0.000 0.227 488 D C 0.429 176.753 176.300 0.040 0.000 1.012 488 D CA 0.425 54.452 54.000 0.046 0.000 0.905 488 D CB -0.034 40.943 40.800 0.294 0.000 0.895 488 D HN 0.144 nan 8.370 nan 0.000 0.532 489 S N -0.984 114.608 115.700 -0.179 0.000 2.681 489 S HA 0.693 5.179 4.470 0.026 0.000 0.299 489 S C 0.668 175.229 174.600 -0.065 0.000 1.113 489 S CA -0.769 57.356 58.200 -0.126 0.000 1.013 489 S CB 2.281 65.143 63.200 -0.564 0.000 1.076 489 S HN 0.046 nan 8.310 nan 0.000 0.534 490 G N -0.165 108.635 108.800 -0.000 0.000 2.508 490 G HA2 0.395 4.370 3.960 0.026 0.000 0.278 490 G HA3 0.395 4.370 3.960 0.026 0.000 0.278 490 G C 0.705 175.591 174.900 -0.023 0.000 1.389 490 G CA -0.979 44.120 45.100 -0.002 0.000 1.050 490 G HN 0.746 nan 8.290 nan 0.000 0.522 491 L N -0.671 120.548 121.223 -0.007 0.000 2.349 491 L HA 0.013 4.369 4.340 0.026 0.000 0.220 491 L C 0.857 177.725 176.870 -0.003 0.000 1.130 491 L CA 1.172 56.009 54.840 -0.004 0.000 0.791 491 L CB -0.332 41.732 42.059 0.008 0.000 0.918 491 L HN 0.435 nan 8.230 nan 0.000 0.444 492 E N -0.446 119.755 120.200 0.002 0.000 2.224 492 E HA 0.579 4.944 4.350 0.026 0.000 0.265 492 E C -1.229 175.377 176.600 0.010 0.000 0.878 492 E CA -0.404 56.002 56.400 0.011 0.000 0.759 492 E CB 2.809 32.522 29.700 0.022 0.000 1.164 492 E HN -0.185 nan 8.360 nan 0.000 0.414 493 V N 2.099 122.013 119.914 0.001 0.000 2.971 493 V HA 0.400 4.536 4.120 0.026 0.000 0.309 493 V C -0.719 175.398 176.094 0.038 0.000 1.130 493 V CA -1.185 61.112 62.300 -0.004 0.000 0.964 493 V CB 2.364 34.096 31.823 -0.152 0.000 1.029 493 V HN 0.605 nan 8.190 nan 0.000 0.427 494 N N 2.789 121.535 118.700 0.078 0.000 2.372 494 N HA 0.704 5.460 4.740 0.026 0.000 0.285 494 N C -1.257 174.277 175.510 0.039 0.000 1.008 494 N CA -0.267 52.846 53.050 0.106 0.000 0.880 494 N CB 2.491 41.048 38.487 0.116 0.000 1.239 494 N HN 0.612 nan 8.380 nan 0.000 0.484 495 I N 1.444 122.001 120.570 -0.023 0.000 2.466 495 I HA 0.299 4.485 4.170 0.026 0.000 0.289 495 I C -0.307 175.746 176.117 -0.108 0.000 1.026 495 I CA -1.109 60.154 61.300 -0.061 0.000 1.078 495 I CB 2.329 40.282 38.000 -0.079 0.000 1.249 495 I HN 0.067 nan 8.210 nan 0.000 0.429 496 V N 5.473 125.289 119.914 -0.163 0.000 2.459 496 V HA 0.772 4.908 4.120 0.026 0.000 0.295 496 V C -0.618 175.431 176.094 -0.075 0.000 1.029 496 V CA 0.279 62.477 62.300 -0.170 0.000 0.874 496 V CB 1.894 33.516 31.823 -0.335 0.000 0.985 496 V HN 0.868 nan 8.190 nan 0.000 0.438 497 T N 2.797 117.327 114.554 -0.039 0.000 2.868 497 T HA 0.468 4.834 4.350 0.026 0.000 0.306 497 T C -0.235 174.417 174.700 -0.080 0.000 1.224 497 T CA 0.259 62.358 62.100 -0.001 0.000 1.012 497 T CB 1.876 70.782 68.868 0.064 0.000 1.221 497 T HN 0.982 nan 8.240 nan 0.000 0.499 498 D N 0.502 120.852 120.400 -0.083 0.000 2.395 498 D HA 0.227 4.882 4.640 0.026 0.000 0.213 498 D C 0.519 176.924 176.300 0.175 0.000 1.110 498 D CA -0.222 53.647 54.000 -0.217 0.000 0.835 498 D CB 0.307 40.978 40.800 -0.215 0.000 0.965 498 D HN 0.290 nan 8.370 nan 0.000 0.505 499 S N 0.565 116.402 115.700 0.227 0.000 2.481 499 S HA -0.038 4.447 4.470 0.026 0.000 0.282 499 S C 1.301 176.113 174.600 0.353 0.000 1.243 499 S CA -0.393 57.962 58.200 0.259 0.000 1.078 499 S CB 0.537 63.850 63.200 0.188 0.000 0.916 499 S HN 0.134 nan 8.310 nan 0.000 0.495 500 Q N 3.717 123.691 119.800 0.291 0.000 2.226 500 Q HA -0.154 4.201 4.340 0.026 0.000 0.204 500 Q C 1.160 177.169 176.000 0.015 0.000 0.975 500 Q CA 1.551 57.418 55.803 0.107 0.000 0.866 500 Q CB -0.304 28.480 28.738 0.076 0.000 0.915 500 Q HN 0.995 nan 8.270 nan 0.000 0.440 501 Y N 0.696 120.991 120.300 -0.009 0.000 2.439 501 Y HA -0.120 4.446 4.550 0.026 0.000 0.292 501 Y C 2.072 177.951 175.900 -0.035 0.000 1.130 501 Y CA 0.877 58.948 58.100 -0.048 0.000 1.254 501 Y CB -0.056 38.380 38.460 -0.040 0.000 1.000 501 Y HN 0.114 nan 8.280 nan 0.000 0.554 502 A N -0.171 122.715 122.820 0.109 0.000 1.855 502 A HA -0.187 4.149 4.320 0.026 0.000 0.215 502 A C 2.063 179.617 177.584 -0.049 0.000 1.191 502 A CA 1.596 53.679 52.037 0.075 0.000 0.613 502 A CB -1.184 17.915 19.000 0.164 0.000 0.829 502 A HN 0.418 nan 8.150 nan 0.000 0.442 503 L N 0.310 121.462 121.223 -0.118 0.000 2.089 503 L HA -0.175 4.181 4.340 0.026 0.000 0.213 503 L C 2.433 179.147 176.870 -0.261 0.000 1.079 503 L CA 2.108 56.787 54.840 -0.268 0.000 0.758 503 L CB -1.215 40.509 42.059 -0.558 0.000 0.891 503 L HN 0.388 nan 8.230 nan 0.000 0.433 504 G N -1.067 107.552 108.800 -0.302 0.000 2.408 504 G HA2 -0.200 3.776 3.960 0.026 0.000 0.217 504 G HA3 -0.200 3.776 3.960 0.026 0.000 0.217 504 G C 1.661 176.443 174.900 -0.198 0.000 1.150 504 G CA 0.804 45.711 45.100 -0.321 0.000 0.776 504 G HN 0.449 nan 8.290 nan 0.000 0.542 505 I N 0.525 120.992 120.570 -0.172 0.000 2.286 505 I HA -0.125 4.061 4.170 0.026 0.000 0.248 505 I C 2.544 178.692 176.117 0.053 0.000 1.115 505 I CA 0.793 62.086 61.300 -0.012 0.000 1.392 505 I CB -0.189 37.827 38.000 0.028 0.000 1.065 505 I HN 0.150 nan 8.210 nan 0.000 0.418 506 I N 0.268 120.831 120.570 -0.011 0.000 2.315 506 I HA -0.298 3.888 4.170 0.026 0.000 0.248 506 I C 2.603 178.727 176.117 0.012 0.000 1.117 506 I CA 1.414 62.714 61.300 0.000 0.000 1.404 506 I CB -0.316 37.653 38.000 -0.052 0.000 1.071 506 I HN 0.307 nan 8.210 nan 0.000 0.419 507 Q N 0.510 120.285 119.800 -0.041 0.000 2.376 507 Q HA 0.051 4.407 4.340 0.026 0.000 0.206 507 Q C 1.864 177.912 176.000 0.080 0.000 0.921 507 Q CA 0.989 56.765 55.803 -0.045 0.000 0.911 507 Q CB 0.267 28.880 28.738 -0.210 0.000 1.032 507 Q HN 0.499 nan 8.270 nan 0.000 0.510 508 A N -0.402 122.512 122.820 0.157 0.000 2.287 508 A HA 0.123 4.459 4.320 0.026 0.000 0.214 508 A C 0.132 177.985 177.584 0.448 0.000 1.228 508 A CA -0.145 52.127 52.037 0.391 0.000 0.939 508 A CB 0.346 19.593 19.000 0.413 0.000 0.992 508 A HN 0.408 nan 8.150 nan 0.000 0.502 509 Q N 0.463 120.455 119.800 0.319 0.000 2.426 509 Q HA -0.134 4.222 4.340 0.026 0.000 0.359 509 Q C -2.167 174.006 176.000 0.289 0.000 1.381 509 Q CA 0.421 56.426 55.803 0.336 0.000 1.060 509 Q CB -1.470 27.426 28.738 0.265 0.000 1.253 509 Q HN 0.572 nan 8.270 nan 0.000 0.363 510 P HA -0.054 nan 4.420 nan 0.000 0.268 510 P C -0.188 177.268 177.300 0.260 0.000 1.205 510 P CA 0.395 63.665 63.100 0.284 0.000 0.771 510 P CB 0.672 32.555 31.700 0.304 0.000 0.858 511 D N 0.938 121.436 120.400 0.164 0.000 2.462 511 D HA 0.096 4.752 4.640 0.026 0.000 0.221 511 D C 0.247 176.547 176.300 0.000 0.000 1.173 511 D CA -0.189 53.874 54.000 0.106 0.000 0.831 511 D CB 0.100 40.944 40.800 0.074 0.000 1.001 511 D HN 0.546 nan 8.370 nan 0.000 0.499 512 Q N -1.096 118.746 119.800 0.070 0.000 2.646 512 Q HA 0.473 4.828 4.340 0.026 0.000 0.260 512 Q C -1.739 174.326 176.000 0.108 0.000 0.975 512 Q CA -0.873 54.953 55.803 0.039 0.000 0.936 512 Q CB 1.113 29.851 28.738 -0.001 0.000 1.591 512 Q HN 0.107 nan 8.270 nan 0.000 0.412 513 S N -0.041 115.715 115.700 0.093 0.000 2.672 513 S HA 0.330 4.815 4.470 0.026 0.000 0.271 513 S C 0.435 175.089 174.600 0.089 0.000 1.171 513 S CA -0.175 58.107 58.200 0.137 0.000 0.817 513 S CB 1.219 64.525 63.200 0.177 0.000 1.150 513 S HN 0.896 nan 8.310 nan 0.000 0.478 514 E N 0.712 120.975 120.200 0.105 0.000 2.152 514 E HA 0.022 4.388 4.350 0.026 0.000 0.192 514 E C 0.794 177.408 176.600 0.022 0.000 0.983 514 E CA 1.037 57.475 56.400 0.064 0.000 0.818 514 E CB -0.171 29.578 29.700 0.081 0.000 0.758 514 E HN 0.646 nan 8.360 nan 0.000 0.467 515 S N 0.156 115.861 115.700 0.008 0.000 2.499 515 S HA 0.165 4.651 4.470 0.026 0.000 0.279 515 S C 0.597 175.166 174.600 -0.052 0.000 1.219 515 S CA -0.608 57.568 58.200 -0.040 0.000 1.062 515 S CB 1.957 65.103 63.200 -0.090 0.000 0.978 515 S HN 0.209 nan 8.310 nan 0.000 0.489 516 E N 2.531 122.690 120.200 -0.069 0.000 2.204 516 E HA -0.069 4.296 4.350 0.026 0.000 0.195 516 E C 1.541 178.058 176.600 -0.137 0.000 0.990 516 E CA 0.910 57.258 56.400 -0.087 0.000 0.821 516 E CB -0.157 29.492 29.700 -0.084 0.000 0.750 516 E HN 0.809 nan 8.360 nan 0.000 0.477 517 L N -0.368 120.763 121.223 -0.153 0.000 1.943 517 L HA -0.218 4.138 4.340 0.026 0.000 0.215 517 L C 2.205 178.966 176.870 -0.181 0.000 1.074 517 L CA 1.469 56.180 54.840 -0.215 0.000 0.759 517 L CB -0.488 41.460 42.059 -0.185 0.000 0.888 517 L HN 0.121 nan 8.230 nan 0.000 0.433 518 V N 0.626 120.483 119.914 -0.096 0.000 2.370 518 V HA -0.351 3.785 4.120 0.026 0.000 0.252 518 V C 2.269 178.363 176.094 -0.000 0.000 1.068 518 V CA 2.033 64.335 62.300 0.002 0.000 1.061 518 V CB -0.956 30.925 31.823 0.096 0.000 0.656 518 V HN 0.535 nan 8.190 nan 0.000 0.455 519 N N 0.060 118.739 118.700 -0.035 0.000 2.069 519 N HA -0.196 4.560 4.740 0.026 0.000 0.191 519 N C 1.931 177.406 175.510 -0.059 0.000 1.031 519 N CA 1.592 54.619 53.050 -0.037 0.000 0.852 519 N CB -0.369 38.085 38.487 -0.054 0.000 1.018 519 N HN 0.630 nan 8.380 nan 0.000 0.423 520 Q N 0.388 120.100 119.800 -0.147 0.000 2.050 520 Q HA -0.022 4.334 4.340 0.026 0.000 0.202 520 Q C 2.225 178.226 176.000 0.003 0.000 0.980 520 Q CA 0.931 56.621 55.803 -0.189 0.000 0.840 520 Q CB -0.145 28.190 28.738 -0.671 0.000 0.898 520 Q HN 0.403 nan 8.270 nan 0.000 0.424 521 I N 0.731 121.289 120.570 -0.020 0.000 2.151 521 I HA -0.325 3.861 4.170 0.026 0.000 0.243 521 I C 2.272 178.427 176.117 0.065 0.000 1.080 521 I CA 1.328 62.714 61.300 0.143 0.000 1.339 521 I CB -0.418 37.638 38.000 0.094 0.000 1.039 521 I HN 0.216 nan 8.210 nan 0.000 0.409 522 I N 0.385 120.982 120.570 0.046 0.000 2.208 522 I HA -0.270 3.916 4.170 0.026 0.000 0.245 522 I C 2.592 178.737 176.117 0.046 0.000 1.097 522 I CA 1.245 62.581 61.300 0.061 0.000 1.363 522 I CB -0.462 37.613 38.000 0.124 0.000 1.051 522 I HN 0.245 nan 8.210 nan 0.000 0.413 523 E N 0.506 120.730 120.200 0.040 0.000 2.077 523 E HA -0.217 4.149 4.350 0.026 0.000 0.193 523 E C 2.216 178.850 176.600 0.057 0.000 0.989 523 E CA 1.074 57.500 56.400 0.043 0.000 0.800 523 E CB -0.336 29.386 29.700 0.037 0.000 0.746 523 E HN 0.479 nan 8.360 nan 0.000 0.452 524 Q N 0.447 120.293 119.800 0.076 0.000 2.084 524 Q HA -0.056 4.300 4.340 0.026 0.000 0.202 524 Q C 2.578 178.548 176.000 -0.050 0.000 0.978 524 Q CA 0.770 56.587 55.803 0.023 0.000 0.844 524 Q CB -0.502 28.252 28.738 0.027 0.000 0.898 524 Q HN 0.335 nan 8.270 nan 0.000 0.426 525 L N 0.015 121.163 121.223 -0.124 0.000 2.042 525 L HA -0.190 4.166 4.340 0.026 0.000 0.210 525 L C 2.379 179.156 176.870 -0.155 0.000 1.076 525 L CA 0.951 55.610 54.840 -0.302 0.000 0.749 525 L CB -0.458 41.135 42.059 -0.775 0.000 0.893 525 L HN 0.187 nan 8.230 nan 0.000 0.432 526 I N -0.361 120.226 120.570 0.028 0.000 2.454 526 I HA -0.287 3.899 4.170 0.026 0.000 0.254 526 I C 2.389 178.602 176.117 0.161 0.000 1.156 526 I CA 1.299 62.743 61.300 0.240 0.000 1.433 526 I CB -0.164 38.029 38.000 0.322 0.000 1.082 526 I HN 0.261 nan 8.210 nan 0.000 0.432 527 K N 0.419 120.868 120.400 0.082 0.000 2.116 527 K HA -0.012 4.324 4.320 0.026 0.000 0.203 527 K C 0.661 177.285 176.600 0.040 0.000 1.052 527 K CA 0.439 56.764 56.287 0.062 0.000 0.952 527 K CB 0.051 32.572 32.500 0.035 0.000 0.729 527 K HN 0.085 nan 8.250 nan 0.000 0.446 528 K N 1.669 122.075 120.400 0.010 0.000 2.440 528 K HA -0.048 4.288 4.320 0.026 0.000 0.270 528 K C 0.820 177.439 176.600 0.032 0.000 0.980 528 K CA 0.607 56.894 56.287 -0.000 0.000 0.953 528 K CB 0.544 33.022 32.500 -0.037 0.000 0.925 528 K HN 0.197 nan 8.250 nan 0.000 0.497 529 E N 1.178 121.395 120.200 0.028 0.000 2.230 529 E HA -0.041 4.325 4.350 0.026 0.000 0.192 529 E C -0.286 176.343 176.600 0.049 0.000 0.987 529 E CA 0.972 57.397 56.400 0.041 0.000 0.841 529 E CB 0.343 30.061 29.700 0.031 0.000 0.783 529 E HN 0.325 nan 8.360 nan 0.000 0.481 530 K N 0.325 120.749 120.400 0.040 0.000 2.550 530 K HA 0.400 4.736 4.320 0.026 0.000 0.252 530 K C -1.649 174.978 176.600 0.044 0.000 0.943 530 K CA -0.422 55.897 56.287 0.054 0.000 0.806 530 K CB 3.070 35.600 32.500 0.050 0.000 1.289 530 K HN -0.219 nan 8.250 nan 0.000 0.435 531 V N 2.751 122.704 119.914 0.065 0.000 2.612 531 V HA 0.288 4.423 4.120 0.026 0.000 0.301 531 V C -1.579 174.584 176.094 0.115 0.000 1.059 531 V CA -0.938 61.388 62.300 0.044 0.000 0.886 531 V CB 1.425 33.227 31.823 -0.036 0.000 1.007 531 V HN 0.725 nan 8.190 nan 0.000 0.426 532 Y N 5.758 126.053 120.300 -0.009 0.000 2.328 532 Y HA 0.788 5.354 4.550 0.026 0.000 0.337 532 Y C -0.988 174.910 175.900 -0.004 0.000 0.966 532 Y CA -1.146 56.957 58.100 0.005 0.000 1.136 532 Y CB 1.696 40.158 38.460 0.003 0.000 1.170 532 Y HN 0.627 nan 8.280 nan 0.000 0.470 533 L N 6.049 126.957 121.223 -0.526 0.000 2.322 533 L HA 0.914 5.270 4.340 0.026 0.000 0.281 533 L C -1.137 175.388 176.870 -0.574 0.000 1.014 533 L CA -0.492 54.116 54.840 -0.385 0.000 0.815 533 L CB 1.293 43.243 42.059 -0.181 0.000 1.247 533 L HN 0.747 nan 8.230 nan 0.000 0.421 534 A N 4.070 126.686 122.820 -0.340 0.000 2.414 534 A HA 0.654 4.989 4.320 0.026 0.000 0.306 534 A C -1.986 175.611 177.584 0.022 0.000 1.054 534 A CA -0.536 51.386 52.037 -0.192 0.000 0.724 534 A CB 0.812 19.742 19.000 -0.117 0.000 1.267 534 A HN 0.785 nan 8.150 nan 0.000 0.418 535 W N 2.278 123.525 121.300 -0.088 0.000 2.578 535 W HA 0.628 5.304 4.660 0.026 0.000 0.346 535 W C -0.684 175.832 176.519 -0.006 0.000 1.075 535 W CA -0.109 57.211 57.345 -0.042 0.000 1.233 535 W CB 1.826 31.259 29.460 -0.044 0.000 1.358 535 W HN 0.971 nan 8.180 nan 0.000 0.574 536 V N 2.343 121.644 119.914 -1.022 0.000 3.087 536 V HA 0.646 4.782 4.120 0.026 0.000 0.306 536 V C -2.851 172.289 176.094 -1.590 0.000 1.187 536 V CA -2.974 58.769 62.300 -0.928 0.000 0.999 536 V CB 1.441 33.028 31.823 -0.394 0.000 1.049 536 V HN 0.484 nan 8.190 nan 0.000 0.431 537 P HA 0.437 nan 4.420 nan 0.000 0.268 537 P C -0.115 176.967 177.300 -0.364 0.000 1.205 537 P CA 0.501 63.205 63.100 -0.661 0.000 0.771 537 P CB 0.734 32.310 31.700 -0.206 0.000 0.858 538 A N 3.044 125.753 122.820 -0.184 0.000 2.259 538 A HA 0.463 4.799 4.320 0.026 0.000 0.278 538 A C -0.036 177.552 177.584 0.007 0.000 1.107 538 A CA 0.157 52.121 52.037 -0.121 0.000 0.828 538 A CB -0.324 18.619 19.000 -0.094 0.000 1.111 538 A HN 0.717 nan 8.150 nan 0.000 0.498 539 H N 0.000 119.049 119.070 -0.035 0.000 2.539 539 H HA 0.000 4.572 4.556 0.027 0.000 0.296 539 H CA 0.000 56.035 56.048 -0.022 0.000 1.023 539 H CB 0.000 29.759 29.762 -0.006 0.000 1.292 539 H HN 0.000 nan 8.280 nan 0.000 0.496