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 3k09_1_A DATA FIRST_RESID 14 DATA SEQUENCE EHQAIAKMRT MIEGFDDISH GGLPIGRSTL VSGTSGTGKT LFSIQFLYNG DATA SEQUENCE IIEFDEPGVF VTFEETPQDI IKNARSFGWD LAKLVDEGKL FILDASPDPE DATA SEQUENCE GQEVVGGFDL SALIERINYA IQKYRARRVS IDSVTSVFQQ YDASSVVRRE DATA SEQUENCE LFRLVARLKQ IGATTVMTTE RIEEYGPIAR YGVEEFVSDN VVILRNVLEG DATA SEQUENCE ERRRRTLEIL KLRGTSHMKG EYPFTITDHG INIFPLGAMR LTQRSSNVRV DATA SEQUENCE SSGVVRLDEM CGGGFFKDSI ILATGATGTG KTLLVSRFVE NACANKERAI DATA SEQUENCE LFAYEESRAQ LLRNAYSWGM DFEEMERQNL LKIVCAYPES AGLEDHLQII DATA SEQUENCE KSEINDFKPA RIAIDSLSAL ARGVSNNAFR QFVIGVTGYA KQEEITGLFT DATA SEQUENCE NTSDQFMGAH SITDSHIDXI TDTIILLQYV EIRGEMSRAI NVFKMRGSWH DATA SEQUENCE DKAIREFMIS DKGPDIKDSF RNFERIISGS PTRITVDEKS ELSRIVRGVQ DATA SEQUENCE EKGPES 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 14 E HA 0.000 nan 4.350 nan 0.000 0.291 14 E C 0.000 176.788 176.600 0.314 0.000 1.382 14 E CA 0.000 56.460 56.400 0.101 0.000 0.976 14 E CB 0.000 29.724 29.700 0.041 0.000 0.812 15 H N 0.009 119.085 119.070 0.011 0.000 2.591 15 H HA 0.453 5.009 4.556 -0.000 0.000 0.241 15 H C -0.577 174.758 175.328 0.013 0.000 1.292 15 H CA -0.314 55.741 56.048 0.012 0.000 1.022 15 H CB 0.941 30.709 29.762 0.010 0.000 1.875 15 H HN 0.095 nan 8.280 nan 0.000 0.570 16 Q N -0.055 119.817 119.800 0.119 0.000 2.857 16 Q HA 0.609 4.949 4.340 -0.000 0.000 0.319 16 Q C -0.449 175.583 176.000 0.054 0.000 0.963 16 Q CA -0.672 55.174 55.803 0.071 0.000 0.770 16 Q CB 1.404 30.177 28.738 0.058 0.000 1.492 16 Q HN 0.380 nan 8.270 nan 0.000 0.493 17 A N 0.222 123.069 122.820 0.044 0.000 2.407 17 A HA 0.308 4.628 4.320 -0.000 0.000 0.257 17 A C -0.292 177.318 177.584 0.043 0.000 1.131 17 A CA 0.054 52.116 52.037 0.041 0.000 0.803 17 A CB -0.341 18.683 19.000 0.040 0.000 1.083 17 A HN 0.475 nan 8.150 nan 0.000 0.512 18 I N -0.580 120.015 120.570 0.042 0.000 2.945 18 I HA 0.429 4.598 4.170 -0.000 0.000 0.292 18 I C 0.842 176.985 176.117 0.043 0.000 1.093 18 I CA 0.732 62.058 61.300 0.042 0.000 1.336 18 I CB 0.610 38.635 38.000 0.042 0.000 1.435 18 I HN 0.650 nan 8.210 nan 0.000 0.593 19 A N 4.164 127.008 122.820 0.039 0.000 2.355 19 A HA 0.803 5.123 4.320 -0.000 0.000 0.324 19 A C -0.485 177.122 177.584 0.038 0.000 1.117 19 A CA -0.765 51.293 52.037 0.035 0.000 0.785 19 A CB 0.811 19.825 19.000 0.024 0.000 1.254 19 A HN 0.683 nan 8.150 nan 0.000 0.453 20 K N 0.837 121.263 120.400 0.043 0.000 2.221 20 K HA 0.640 4.960 4.320 -0.000 0.000 0.243 20 K C -0.899 175.719 176.600 0.030 0.000 0.968 20 K CA -0.476 55.843 56.287 0.054 0.000 0.846 20 K CB 2.229 34.779 32.500 0.084 0.000 1.141 20 K HN 0.727 nan 8.250 nan 0.000 0.434 21 M N 1.683 121.310 119.600 0.046 0.000 2.268 21 M HA 0.295 4.775 4.480 -0.000 0.000 0.344 21 M C -0.609 175.716 176.300 0.041 0.000 1.106 21 M CA -0.500 54.792 55.300 -0.013 0.000 1.010 21 M CB 1.101 33.717 32.600 0.027 0.000 1.649 21 M HN 0.380 nan 8.290 nan 0.000 0.443 22 R N 1.256 121.731 120.500 -0.042 0.000 2.490 22 R HA 0.178 4.518 4.340 -0.000 0.000 0.280 22 R C 1.041 177.414 176.300 0.123 0.000 1.077 22 R CA 0.109 56.264 56.100 0.091 0.000 1.065 22 R CB 0.589 30.987 30.300 0.163 0.000 1.003 22 R HN 0.768 nan 8.270 nan 0.000 0.470 23 T N -0.849 113.818 114.554 0.189 0.000 3.037 23 T HA 0.016 4.366 4.350 -0.000 0.000 0.252 23 T C 1.078 175.832 174.700 0.090 0.000 1.073 23 T CA -0.130 62.059 62.100 0.148 0.000 1.091 23 T CB 0.303 69.208 68.868 0.062 0.000 0.935 23 T HN 0.537 nan 8.240 nan 0.000 0.488 24 M N -0.624 119.056 119.600 0.133 0.000 2.871 24 M HA -0.141 4.339 4.480 -0.000 0.000 0.174 24 M C 0.066 176.397 176.300 0.050 0.000 0.655 24 M CA 0.284 55.642 55.300 0.097 0.000 0.654 24 M CB -2.798 29.854 32.600 0.086 0.000 2.369 24 M HN 0.455 nan 8.290 nan 0.000 0.306 25 I N 2.170 122.748 120.570 0.013 0.000 2.471 25 I HA -0.017 4.152 4.170 -0.000 0.000 0.294 25 I C 1.320 177.462 176.117 0.042 0.000 1.123 25 I CA 0.165 61.441 61.300 -0.041 0.000 1.336 25 I CB 0.131 37.999 38.000 -0.221 0.000 1.430 25 I HN 0.149 nan 8.210 nan 0.000 0.533 26 E N 6.140 126.352 120.200 0.019 0.000 3.490 26 E HA -0.210 4.140 4.350 -0.000 0.000 0.232 26 E C 1.110 177.702 176.600 -0.014 0.000 0.943 26 E CA 1.154 57.553 56.400 -0.000 0.000 0.933 26 E CB 0.051 29.728 29.700 -0.038 0.000 0.890 26 E HN 0.999 nan 8.360 nan 0.000 0.576 27 G N 4.936 113.746 108.800 0.018 0.000 2.956 27 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.210 27 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.210 27 G C 0.688 175.619 174.900 0.051 0.000 1.316 27 G CA 0.185 45.283 45.100 -0.003 0.000 0.819 27 G HN 0.600 nan 8.290 nan 0.000 0.544 28 F N 2.502 122.439 119.950 -0.022 0.000 2.176 28 F HA -0.092 4.435 4.527 -0.000 0.000 0.301 28 F C 1.888 177.715 175.800 0.045 0.000 1.071 28 F CA 2.542 60.559 58.000 0.028 0.000 1.289 28 F CB 0.063 39.109 39.000 0.078 0.000 1.028 28 F HN 0.252 nan 8.300 nan 0.000 0.494 29 D N -0.041 120.518 120.400 0.266 0.000 2.352 29 D HA -0.087 4.553 4.640 -0.000 0.000 0.232 29 D C 1.169 177.512 176.300 0.072 0.000 1.055 29 D CA 0.650 54.770 54.000 0.199 0.000 0.891 29 D CB -0.147 40.772 40.800 0.198 0.000 0.897 29 D HN 0.544 nan 8.370 nan 0.000 0.529 30 D N -0.288 120.113 120.400 0.002 0.000 2.525 30 D HA 0.085 4.725 4.640 -0.000 0.000 0.248 30 D C 2.194 178.492 176.300 -0.003 0.000 1.000 30 D CA -0.001 53.993 54.000 -0.010 0.000 0.923 30 D CB 0.693 41.467 40.800 -0.042 0.000 1.101 30 D HN 0.231 nan 8.370 nan 0.000 0.493 31 I N 1.613 122.090 120.570 -0.155 0.000 2.916 31 I HA -0.133 4.037 4.170 -0.000 0.000 0.267 31 I C 1.877 177.886 176.117 -0.180 0.000 1.263 31 I CA 0.862 62.038 61.300 -0.207 0.000 1.471 31 I CB -0.206 37.584 38.000 -0.350 0.000 1.089 31 I HN -0.068 nan 8.210 nan 0.000 0.468 32 S N -1.743 113.837 115.700 -0.199 0.000 2.629 32 S HA 0.080 4.550 4.470 -0.000 0.000 0.236 32 S C 0.432 175.087 174.600 0.090 0.000 1.010 32 S CA -0.397 57.719 58.200 -0.141 0.000 0.981 32 S CB -0.222 62.832 63.200 -0.244 0.000 0.919 32 S HN 0.443 nan 8.310 nan 0.000 0.514 33 H N 0.809 119.863 119.070 -0.027 0.000 2.713 33 H HA -0.102 4.453 4.556 -0.000 0.000 0.311 33 H C 1.265 176.609 175.328 0.027 0.000 1.175 33 H CA 1.098 57.150 56.048 0.006 0.000 1.143 33 H CB -1.614 28.161 29.762 0.021 0.000 1.434 33 H HN 0.891 nan 8.280 nan 0.000 0.418 34 G N -3.110 105.774 108.800 0.141 0.000 3.134 34 G HA2 0.381 4.341 3.960 -0.000 0.000 0.195 34 G HA3 0.381 4.341 3.960 -0.000 0.000 0.195 34 G C 0.844 175.830 174.900 0.144 0.000 1.054 34 G CA 0.726 45.896 45.100 0.118 0.000 0.828 34 G HN 1.598 nan 8.290 nan 0.000 0.462 35 G N -0.567 108.338 108.800 0.175 0.000 2.331 35 G HA2 0.335 4.295 3.960 -0.000 0.000 0.402 35 G HA3 0.335 4.295 3.960 -0.000 0.000 0.402 35 G C -0.300 174.748 174.900 0.245 0.000 1.275 35 G CA -0.402 44.866 45.100 0.280 0.000 1.003 35 G HN 1.061 nan 8.290 nan 0.000 0.500 36 L N 0.942 122.324 121.223 0.265 0.000 2.506 36 L HA 0.268 4.608 4.340 -0.000 0.000 0.281 36 L C -1.937 174.997 176.870 0.106 0.000 1.228 36 L CA -1.052 53.879 54.840 0.152 0.000 0.850 36 L CB 0.192 42.275 42.059 0.039 0.000 1.110 36 L HN 0.259 nan 8.230 nan 0.000 0.496 37 P HA 0.205 nan 4.420 nan 0.000 0.280 37 P C -0.298 177.033 177.300 0.051 0.000 1.244 37 P CA -0.287 62.846 63.100 0.056 0.000 0.784 37 P CB 0.741 32.466 31.700 0.042 0.000 0.913 38 I N 2.352 122.949 120.570 0.045 0.000 2.648 38 I HA 0.185 4.355 4.170 -0.000 0.000 0.284 38 I C 1.433 177.569 176.117 0.032 0.000 1.153 38 I CA 1.275 62.598 61.300 0.037 0.000 1.426 38 I CB -0.252 37.760 38.000 0.020 0.000 1.381 38 I HN 0.690 nan 8.210 nan 0.000 0.571 39 G N 4.912 113.731 108.800 0.033 0.000 2.160 39 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.244 39 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.244 39 G C 0.164 175.077 174.900 0.021 0.000 1.022 39 G CA -0.197 44.919 45.100 0.025 0.000 0.741 39 G HN 0.613 nan 8.290 nan 0.000 0.508 40 R N -1.009 119.505 120.500 0.023 0.000 2.739 40 R HA 0.594 4.933 4.340 -0.000 0.000 0.271 40 R C -0.404 175.897 176.300 0.002 0.000 1.010 40 R CA -0.560 55.547 56.100 0.011 0.000 0.897 40 R CB 1.312 31.620 30.300 0.013 0.000 1.236 40 R HN 0.164 nan 8.270 nan 0.000 0.466 41 S N -0.009 115.685 115.700 -0.009 0.000 2.652 41 S HA 0.451 4.920 4.470 -0.000 0.000 0.270 41 S C -0.454 174.121 174.600 -0.042 0.000 1.243 41 S CA -0.245 57.939 58.200 -0.026 0.000 0.999 41 S CB 1.602 64.788 63.200 -0.023 0.000 0.973 41 S HN 0.437 nan 8.310 nan 0.000 0.544 42 T N 2.134 116.644 114.554 -0.072 0.000 2.937 42 T HA 0.340 4.689 4.350 -0.000 0.000 0.297 42 T C -1.189 173.448 174.700 -0.104 0.000 0.991 42 T CA -0.459 61.590 62.100 -0.085 0.000 0.990 42 T CB 0.886 69.692 68.868 -0.103 0.000 0.991 42 T HN 0.348 nan 8.240 nan 0.000 0.440 43 L N 5.689 126.856 121.223 -0.094 0.000 2.278 43 L HA 0.586 4.926 4.340 -0.000 0.000 0.287 43 L C -0.774 176.009 176.870 -0.145 0.000 1.072 43 L CA -0.033 54.747 54.840 -0.100 0.000 0.819 43 L CB 0.549 42.564 42.059 -0.073 0.000 1.176 43 L HN 0.422 nan 8.230 nan 0.000 0.435 44 V N 4.863 124.670 119.914 -0.179 0.000 2.350 44 V HA 0.653 4.773 4.120 -0.000 0.000 0.285 44 V C -0.051 175.943 176.094 -0.166 0.000 1.014 44 V CA -0.286 61.860 62.300 -0.258 0.000 0.831 44 V CB 1.155 32.700 31.823 -0.463 0.000 1.000 44 V HN 0.897 nan 8.190 nan 0.000 0.433 45 S N 3.202 118.824 115.700 -0.131 0.000 2.632 45 S HA 1.035 5.505 4.470 -0.000 0.000 0.289 45 S C -0.284 174.278 174.600 -0.064 0.000 1.115 45 S CA -0.225 57.926 58.200 -0.082 0.000 0.889 45 S CB 2.550 65.712 63.200 -0.065 0.000 1.116 45 S HN 1.451 nan 8.310 nan 0.000 0.486 46 G N 0.513 109.287 108.800 -0.042 0.000 2.387 46 G HA2 0.505 4.465 3.960 -0.000 0.000 0.294 46 G HA3 0.505 4.465 3.960 -0.000 0.000 0.294 46 G C -0.465 174.421 174.900 -0.023 0.000 1.509 46 G CA -0.114 44.968 45.100 -0.029 0.000 0.806 46 G HN 1.202 nan 8.290 nan 0.000 0.546 47 T N -1.431 113.106 114.554 -0.029 0.000 2.667 47 T HA 0.504 4.854 4.350 -0.000 0.000 0.305 47 T C 1.119 175.818 174.700 -0.002 0.000 1.022 47 T CA 0.419 62.504 62.100 -0.025 0.000 0.995 47 T CB 1.022 69.867 68.868 -0.037 0.000 1.026 47 T HN 1.260 nan 8.240 nan 0.000 0.527 48 S N 0.124 115.824 115.700 0.001 0.000 2.596 48 S HA 0.384 4.854 4.470 -0.000 0.000 0.298 48 S C 1.549 176.166 174.600 0.029 0.000 1.255 48 S CA 0.743 58.953 58.200 0.017 0.000 1.083 48 S CB -1.302 61.906 63.200 0.013 0.000 0.837 48 S HN 1.871 nan 8.310 nan 0.000 0.499 49 G N 3.249 112.079 108.800 0.051 0.000 2.176 49 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.232 49 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.232 49 G C 0.776 175.730 174.900 0.090 0.000 0.986 49 G CA 0.799 45.940 45.100 0.068 0.000 0.643 49 G HN 1.128 nan 8.290 nan 0.000 0.522 50 T N -1.911 112.697 114.554 0.091 0.000 2.995 50 T HA 0.390 4.740 4.350 -0.000 0.000 0.269 50 T C 2.233 177.075 174.700 0.236 0.000 1.091 50 T CA 1.722 63.905 62.100 0.138 0.000 1.128 50 T CB 0.157 69.087 68.868 0.103 0.000 0.891 50 T HN 2.236 nan 8.240 nan 0.000 0.492 51 G N 1.172 110.084 108.800 0.186 0.000 2.151 51 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.156 51 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.156 51 G C 0.515 175.508 174.900 0.155 0.000 1.017 51 G CA 0.150 45.374 45.100 0.206 0.000 0.686 51 G HN 0.530 nan 8.290 nan 0.000 0.503 52 K N -0.183 120.283 120.400 0.111 0.000 1.980 52 K HA 0.005 4.325 4.320 -0.000 0.000 0.208 52 K C 2.625 179.315 176.600 0.150 0.000 1.043 52 K CA 1.869 58.202 56.287 0.077 0.000 0.938 52 K CB -0.515 32.001 32.500 0.027 0.000 0.724 52 K HN 0.253 nan 8.250 nan 0.000 0.438 53 T N 2.637 117.283 114.554 0.154 0.000 2.653 53 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 53 T C 1.791 176.619 174.700 0.212 0.000 1.035 53 T CA 1.632 63.860 62.100 0.213 0.000 1.154 53 T CB -0.411 68.581 68.868 0.208 0.000 0.862 53 T HN 0.119 nan 8.240 nan 0.000 0.441 54 L N 0.789 122.112 121.223 0.167 0.000 1.943 54 L HA -0.015 4.325 4.340 -0.000 0.000 0.215 54 L C 2.121 179.034 176.870 0.073 0.000 1.074 54 L CA 1.780 56.673 54.840 0.088 0.000 0.759 54 L CB -1.238 40.853 42.059 0.052 0.000 0.888 54 L HN 0.251 nan 8.230 nan 0.000 0.433 55 F N 0.482 120.400 119.950 -0.054 0.000 2.111 55 F HA -0.378 4.149 4.527 -0.000 0.000 0.300 55 F C 2.742 178.516 175.800 -0.045 0.000 1.088 55 F CA 2.432 60.367 58.000 -0.108 0.000 1.243 55 F CB -0.466 38.431 39.000 -0.171 0.000 0.996 55 F HN 0.457 nan 8.300 nan 0.000 0.483 56 S N 0.326 116.198 115.700 0.287 0.000 2.383 56 S HA -0.164 4.305 4.470 -0.000 0.000 0.227 56 S C 2.037 176.801 174.600 0.274 0.000 1.026 56 S CA 1.251 59.617 58.200 0.277 0.000 0.981 56 S CB -0.848 62.506 63.200 0.256 0.000 0.818 56 S HN 0.382 nan 8.310 nan 0.000 0.472 57 I N 2.042 122.724 120.570 0.187 0.000 2.163 57 I HA -0.143 4.027 4.170 -0.000 0.000 0.240 57 I C 2.969 178.975 176.117 -0.185 0.000 1.081 57 I CA 1.588 62.870 61.300 -0.030 0.000 1.353 57 I CB -1.491 36.380 38.000 -0.215 0.000 1.054 57 I HN 0.460 nan 8.210 nan 0.000 0.407 58 Q N 0.025 119.674 119.800 -0.252 0.000 2.197 58 Q HA -0.270 4.069 4.340 -0.000 0.000 0.207 58 Q C 2.222 178.103 176.000 -0.197 0.000 0.984 58 Q CA 1.801 57.421 55.803 -0.305 0.000 0.869 58 Q CB -0.208 28.383 28.738 -0.245 0.000 0.906 58 Q HN 0.425 nan 8.270 nan 0.000 0.426 59 F N 0.275 120.013 119.950 -0.353 0.000 2.113 59 F HA -0.162 4.365 4.527 -0.000 0.000 0.297 59 F C 1.551 177.256 175.800 -0.158 0.000 1.103 59 F CA 1.216 59.024 58.000 -0.320 0.000 1.248 59 F CB -0.290 38.511 39.000 -0.332 0.000 0.999 59 F HN 0.013 nan 8.300 nan 0.000 0.475 60 L N -1.005 120.125 121.223 -0.155 0.000 1.948 60 L HA -0.258 4.081 4.340 -0.000 0.000 0.212 60 L C 2.414 179.153 176.870 -0.218 0.000 1.074 60 L CA 1.990 56.707 54.840 -0.205 0.000 0.753 60 L CB -1.382 40.681 42.059 0.007 0.000 0.888 60 L HN 0.196 nan 8.230 nan 0.000 0.432 61 Y N 1.700 121.802 120.300 -0.330 0.000 1.977 61 Y HA -0.411 4.139 4.550 -0.000 0.000 0.264 61 Y C 2.453 178.202 175.900 -0.251 0.000 1.167 61 Y CA 2.369 60.255 58.100 -0.356 0.000 1.102 61 Y CB -0.670 37.419 38.460 -0.619 0.000 0.948 61 Y HN 0.235 nan 8.280 nan 0.000 0.489 62 N N -0.022 118.580 118.700 -0.164 0.000 2.132 62 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 62 N C 1.966 177.384 175.510 -0.153 0.000 1.015 62 N CA 1.492 54.447 53.050 -0.158 0.000 0.864 62 N CB -0.950 37.511 38.487 -0.044 0.000 1.006 62 N HN 0.604 nan 8.380 nan 0.000 0.430 63 G N 0.963 109.627 108.800 -0.228 0.000 2.545 63 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 63 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 63 G C 1.469 176.333 174.900 -0.060 0.000 1.218 63 G CA 0.944 45.945 45.100 -0.165 0.000 0.787 63 G HN 0.254 nan 8.290 nan 0.000 0.571 64 I N 0.917 121.373 120.570 -0.189 0.000 2.039 64 I HA -0.183 3.987 4.170 -0.000 0.000 0.233 64 I C 2.454 178.437 176.117 -0.225 0.000 1.040 64 I CA 0.865 62.052 61.300 -0.188 0.000 1.308 64 I CB -0.324 37.529 38.000 -0.245 0.000 1.035 64 I HN 0.047 nan 8.210 nan 0.000 0.392 65 I N 0.530 120.853 120.570 -0.413 0.000 2.874 65 I HA -0.237 3.933 4.170 -0.000 0.000 0.271 65 I C 1.818 177.750 176.117 -0.308 0.000 1.263 65 I CA 1.603 62.655 61.300 -0.413 0.000 1.443 65 I CB -1.287 36.291 38.000 -0.703 0.000 1.100 65 I HN 0.471 nan 8.210 nan 0.000 0.480 66 E N -1.602 118.408 120.200 -0.317 0.000 2.568 66 E HA 0.147 4.497 4.350 -0.000 0.000 0.220 66 E C 0.713 176.810 176.600 -0.839 0.000 0.869 66 E CA 0.278 56.320 56.400 -0.596 0.000 1.268 66 E CB 0.662 29.884 29.700 -0.797 0.000 1.252 66 E HN 0.435 nan 8.360 nan 0.000 0.606 67 F N -0.073 119.807 119.950 -0.117 0.000 2.960 67 F HA 0.215 4.742 4.527 -0.000 0.000 0.345 67 F C 0.041 175.788 175.800 -0.088 0.000 1.147 67 F CA -0.525 57.421 58.000 -0.089 0.000 1.099 67 F CB 0.574 39.523 39.000 -0.085 0.000 1.219 67 F HN -0.211 nan 8.300 nan 0.000 0.525 68 D N 2.260 122.690 120.400 0.050 0.000 2.772 68 D HA -0.222 4.418 4.640 -0.000 0.000 0.233 68 D C -0.464 175.843 176.300 0.012 0.000 1.143 68 D CA 0.689 54.690 54.000 0.001 0.000 0.700 68 D CB -0.738 40.060 40.800 -0.004 0.000 1.076 68 D HN 0.558 nan 8.370 nan 0.000 0.430 69 E N 1.034 121.243 120.200 0.014 0.000 2.042 69 E HA 0.260 4.610 4.350 -0.000 0.000 0.260 69 E C -2.039 174.527 176.600 -0.056 0.000 0.975 69 E CA -1.785 54.598 56.400 -0.028 0.000 0.799 69 E CB 0.870 30.528 29.700 -0.070 0.000 1.131 69 E HN 0.318 nan 8.360 nan 0.000 0.423 70 P HA -0.047 nan 4.420 nan 0.000 0.270 70 P C 0.072 177.352 177.300 -0.034 0.000 1.221 70 P CA 0.106 63.194 63.100 -0.019 0.000 0.788 70 P CB 0.903 32.625 31.700 0.038 0.000 0.904 71 G N -0.836 107.947 108.800 -0.029 0.000 2.680 71 G HA2 0.566 4.526 3.960 -0.000 0.000 0.290 71 G HA3 0.566 4.526 3.960 -0.000 0.000 0.290 71 G C -1.648 173.264 174.900 0.020 0.000 1.355 71 G CA -0.595 44.495 45.100 -0.018 0.000 0.903 71 G HN 0.382 nan 8.290 nan 0.000 0.474 72 V N 0.186 120.128 119.914 0.047 0.000 2.604 72 V HA 0.599 4.719 4.120 -0.000 0.000 0.305 72 V C -1.389 174.749 176.094 0.073 0.000 1.043 72 V CA -0.621 61.709 62.300 0.051 0.000 0.888 72 V CB 1.781 33.639 31.823 0.059 0.000 0.995 72 V HN 0.646 nan 8.190 nan 0.000 0.429 73 F N 4.650 124.526 119.950 -0.123 0.000 2.434 73 F HA 0.634 5.161 4.527 -0.000 0.000 0.355 73 F C -0.283 175.431 175.800 -0.145 0.000 1.115 73 F CA -0.531 57.409 58.000 -0.101 0.000 1.010 73 F CB 1.352 40.292 39.000 -0.100 0.000 1.234 73 F HN 0.272 nan 8.300 nan 0.000 0.439 74 V N 4.712 124.374 119.914 -0.420 0.000 2.461 74 V HA 0.356 4.476 4.120 -0.000 0.000 0.275 74 V C 0.199 176.079 176.094 -0.357 0.000 1.047 74 V CA -0.234 61.877 62.300 -0.315 0.000 0.955 74 V CB 1.241 32.970 31.823 -0.156 0.000 0.988 74 V HN 0.766 nan 8.190 nan 0.000 0.471 75 T N 4.155 118.572 114.554 -0.229 0.000 2.824 75 T HA 0.585 4.935 4.350 -0.000 0.000 0.282 75 T C -0.128 174.463 174.700 -0.180 0.000 0.993 75 T CA -0.302 61.767 62.100 -0.051 0.000 0.967 75 T CB 0.766 69.720 68.868 0.144 0.000 0.960 75 T HN 0.351 nan 8.240 nan 0.000 0.441 76 F N 2.297 122.211 119.950 -0.060 0.000 2.682 76 F HA 0.477 5.004 4.527 -0.000 0.000 0.308 76 F C 1.853 177.631 175.800 -0.036 0.000 1.093 76 F CA -0.334 57.629 58.000 -0.063 0.000 1.244 76 F CB 0.669 39.608 39.000 -0.102 0.000 1.052 76 F HN 0.644 nan 8.300 nan 0.000 0.573 77 E N -0.887 119.395 120.200 0.137 0.000 2.783 77 E HA 0.086 4.436 4.350 -0.000 0.000 0.205 77 E C 0.181 176.822 176.600 0.068 0.000 0.955 77 E CA -0.012 56.442 56.400 0.090 0.000 1.594 77 E CB 0.484 30.236 29.700 0.087 0.000 1.686 77 E HN 0.129 nan 8.360 nan 0.000 0.902 78 E N 1.450 121.702 120.200 0.088 0.000 2.338 78 E HA 0.111 4.461 4.350 -0.000 0.000 0.272 78 E C -0.816 175.815 176.600 0.051 0.000 1.029 78 E CA 0.084 56.528 56.400 0.074 0.000 0.872 78 E CB 1.376 31.135 29.700 0.099 0.000 1.015 78 E HN -0.102 nan 8.360 nan 0.000 0.417 79 T N 4.214 118.786 114.554 0.030 0.000 2.901 79 T HA 0.051 4.401 4.350 -0.000 0.000 0.301 79 T C -1.697 173.007 174.700 0.007 0.000 1.012 79 T CA -1.683 60.424 62.100 0.012 0.000 1.135 79 T CB 0.778 69.651 68.868 0.009 0.000 0.936 79 T HN 0.301 nan 8.240 nan 0.000 0.539 80 P HA -0.220 nan 4.420 nan 0.000 0.218 80 P C 1.652 178.937 177.300 -0.026 0.000 1.154 80 P CA 1.206 64.292 63.100 -0.024 0.000 0.872 80 P CB 0.149 31.829 31.700 -0.033 0.000 0.790 81 Q N -0.618 119.176 119.800 -0.011 0.000 2.135 81 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 81 Q C 1.675 177.671 176.000 -0.006 0.000 0.981 81 Q CA 1.423 57.223 55.803 -0.006 0.000 0.856 81 Q CB -1.376 27.363 28.738 0.002 0.000 0.902 81 Q HN 0.404 nan 8.270 nan 0.000 0.425 82 D N 0.681 121.079 120.400 -0.002 0.000 2.085 82 D HA -0.060 4.580 4.640 -0.000 0.000 0.199 82 D C 2.118 178.416 176.300 -0.003 0.000 0.981 82 D CA 0.614 54.617 54.000 0.005 0.000 0.834 82 D CB -0.116 40.695 40.800 0.018 0.000 0.992 82 D HN 0.156 nan 8.370 nan 0.000 0.457 83 I N 1.505 122.061 120.570 -0.024 0.000 2.236 83 I HA -0.275 3.895 4.170 -0.000 0.000 0.249 83 I C 2.442 178.507 176.117 -0.086 0.000 1.102 83 I CA 0.945 62.195 61.300 -0.083 0.000 1.365 83 I CB -0.359 37.509 38.000 -0.220 0.000 1.051 83 I HN 0.060 nan 8.210 nan 0.000 0.420 84 I N -0.390 120.139 120.570 -0.067 0.000 2.233 84 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 84 I C 2.509 178.636 176.117 0.017 0.000 1.093 84 I CA 1.062 62.341 61.300 -0.036 0.000 1.380 84 I CB -0.402 37.583 38.000 -0.026 0.000 1.067 84 I HN 0.146 nan 8.210 nan 0.000 0.413 85 K N 1.862 122.270 120.400 0.012 0.000 1.977 85 K HA -0.207 4.113 4.320 -0.000 0.000 0.218 85 K C 1.780 178.397 176.600 0.028 0.000 1.051 85 K CA 2.003 58.300 56.287 0.016 0.000 0.953 85 K CB -0.348 32.156 32.500 0.007 0.000 0.727 85 K HN 0.162 nan 8.250 nan 0.000 0.445 86 N N 0.465 119.187 118.700 0.036 0.000 2.405 86 N HA -0.209 4.531 4.740 -0.000 0.000 0.189 86 N C 1.446 177.040 175.510 0.139 0.000 1.021 86 N CA 1.287 54.370 53.050 0.056 0.000 0.891 86 N CB -0.389 38.151 38.487 0.090 0.000 0.955 86 N HN 0.413 nan 8.380 nan 0.000 0.443 87 A N 1.592 124.533 122.820 0.203 0.000 1.872 87 A HA -0.050 4.269 4.320 -0.000 0.000 0.214 87 A C 2.190 179.997 177.584 0.371 0.000 1.187 87 A CA 0.769 53.093 52.037 0.479 0.000 0.614 87 A CB -0.386 18.800 19.000 0.310 0.000 0.826 87 A HN 0.190 nan 8.150 nan 0.000 0.442 88 R N -0.165 120.429 120.500 0.157 0.000 2.153 88 R HA -0.195 4.145 4.340 -0.000 0.000 0.252 88 R C 2.486 178.689 176.300 -0.163 0.000 1.158 88 R CA 1.450 57.561 56.100 0.019 0.000 0.975 88 R CB -0.627 29.671 30.300 -0.003 0.000 0.871 88 R HN 0.558 nan 8.270 nan 0.000 0.450 89 S N 0.543 116.100 115.700 -0.239 0.000 2.378 89 S HA -0.188 4.282 4.470 -0.000 0.000 0.229 89 S C 1.234 175.424 174.600 -0.683 0.000 1.052 89 S CA 1.530 59.432 58.200 -0.497 0.000 1.084 89 S CB -0.199 62.572 63.200 -0.715 0.000 0.950 89 S HN 0.368 nan 8.310 nan 0.000 0.440 90 F N 1.696 121.333 119.950 -0.522 0.000 2.693 90 F HA 0.388 4.915 4.527 -0.000 0.000 0.303 90 F C 1.470 176.587 175.800 -1.139 0.000 1.143 90 F CA 0.077 57.517 58.000 -0.934 0.000 1.389 90 F CB -0.588 37.576 39.000 -1.393 0.000 1.060 90 F HN 0.315 nan 8.300 nan 0.000 0.535 91 G N 1.130 109.585 108.800 -0.575 0.000 2.392 91 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.256 91 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.256 91 G C -1.038 173.732 174.900 -0.217 0.000 0.920 91 G CA -0.064 44.846 45.100 -0.317 0.000 1.316 91 G HN 0.584 nan 8.290 nan 0.000 0.416 92 W N 0.342 121.599 121.300 -0.071 0.000 4.199 92 W HA 0.559 5.219 4.660 -0.000 0.000 0.288 92 W C -1.299 175.167 176.519 -0.088 0.000 1.244 92 W CA -2.695 54.559 57.345 -0.153 0.000 1.309 92 W CB 0.120 29.214 29.460 -0.610 0.000 1.199 92 W HN 0.172 nan 8.180 nan 0.000 0.485 93 D N 3.180 123.728 120.400 0.247 0.000 2.339 93 D HA 0.317 4.957 4.640 -0.000 0.000 0.241 93 D C 0.858 177.234 176.300 0.126 0.000 1.183 93 D CA -0.012 54.083 54.000 0.158 0.000 0.859 93 D CB 1.162 42.036 40.800 0.123 0.000 1.067 93 D HN 0.562 nan 8.370 nan 0.000 0.484 94 L N 2.659 123.918 121.223 0.060 0.000 2.127 94 L HA 0.018 4.358 4.340 -0.000 0.000 0.203 94 L C 2.353 179.236 176.870 0.022 0.000 1.080 94 L CA 0.524 55.370 54.840 0.010 0.000 0.768 94 L CB -0.332 41.681 42.059 -0.077 0.000 0.924 94 L HN 0.390 nan 8.230 nan 0.000 0.444 95 A N 0.455 123.290 122.820 0.025 0.000 2.139 95 A HA -0.260 4.060 4.320 -0.000 0.000 0.221 95 A C 2.368 179.977 177.584 0.041 0.000 1.159 95 A CA 1.984 54.038 52.037 0.029 0.000 0.662 95 A CB -0.480 18.537 19.000 0.028 0.000 0.796 95 A HN 0.418 nan 8.150 nan 0.000 0.463 96 K N -0.400 120.030 120.400 0.051 0.000 2.137 96 K HA 0.101 4.421 4.320 -0.000 0.000 0.202 96 K C 1.673 178.303 176.600 0.050 0.000 1.052 96 K CA 0.706 57.025 56.287 0.053 0.000 0.961 96 K CB -0.213 32.326 32.500 0.065 0.000 0.741 96 K HN 0.451 nan 8.250 nan 0.000 0.452 97 L N 0.890 122.143 121.223 0.051 0.000 2.109 97 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 97 L C 2.362 179.257 176.870 0.041 0.000 1.086 97 L CA 0.384 55.247 54.840 0.038 0.000 0.760 97 L CB -0.202 41.875 42.059 0.030 0.000 0.910 97 L HN -0.020 nan 8.230 nan 0.000 0.437 98 V N 0.028 119.967 119.914 0.042 0.000 2.261 98 V HA -0.328 3.792 4.120 -0.000 0.000 0.246 98 V C 2.041 178.187 176.094 0.086 0.000 1.047 98 V CA 2.088 64.426 62.300 0.063 0.000 1.015 98 V CB -0.404 31.459 31.823 0.065 0.000 0.642 98 V HN 0.408 nan 8.190 nan 0.000 0.446 99 D N 0.199 120.640 120.400 0.068 0.000 2.182 99 D HA -0.228 4.412 4.640 -0.000 0.000 0.193 99 D C 2.125 178.465 176.300 0.066 0.000 0.999 99 D CA 1.920 55.959 54.000 0.064 0.000 0.850 99 D CB -0.254 40.575 40.800 0.048 0.000 0.994 99 D HN 0.563 nan 8.370 nan 0.000 0.450 100 E N -0.579 119.653 120.200 0.054 0.000 2.455 100 E HA -0.006 4.344 4.350 -0.000 0.000 0.202 100 E C 1.086 177.729 176.600 0.072 0.000 1.045 100 E CA 0.593 57.021 56.400 0.046 0.000 0.872 100 E CB -0.191 29.527 29.700 0.030 0.000 0.792 100 E HN 0.439 nan 8.360 nan 0.000 0.542 101 G N 1.399 110.273 108.800 0.123 0.000 2.225 101 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.264 101 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.264 101 G C 0.736 175.783 174.900 0.246 0.000 1.060 101 G CA 0.413 45.668 45.100 0.258 0.000 0.833 101 G HN 0.077 nan 8.290 nan 0.000 0.498 102 K N -1.337 119.128 120.400 0.107 0.000 2.335 102 K HA 0.297 4.617 4.320 -0.000 0.000 0.195 102 K C 0.817 177.423 176.600 0.011 0.000 1.058 102 K CA 0.345 56.665 56.287 0.054 0.000 0.988 102 K CB 0.501 33.002 32.500 0.001 0.000 0.880 102 K HN 0.658 nan 8.250 nan 0.000 0.513 103 L N 0.785 122.001 121.223 -0.011 0.000 2.372 103 L HA 0.444 4.784 4.340 -0.000 0.000 0.274 103 L C -1.434 175.408 176.870 -0.046 0.000 0.988 103 L CA -0.746 54.074 54.840 -0.034 0.000 0.833 103 L CB 1.190 43.231 42.059 -0.030 0.000 1.236 103 L HN -0.168 nan 8.230 nan 0.000 0.410 104 F N 6.509 126.257 119.950 -0.337 0.000 2.385 104 F HA 0.549 5.076 4.527 -0.000 0.000 0.360 104 F C -0.379 175.326 175.800 -0.159 0.000 1.122 104 F CA -1.331 56.414 58.000 -0.426 0.000 1.090 104 F CB 0.787 39.305 39.000 -0.803 0.000 1.150 104 F HN 0.381 nan 8.300 nan 0.000 0.472 105 I N 7.932 128.314 120.570 -0.313 0.000 2.308 105 I HA 0.065 4.235 4.170 -0.000 0.000 0.293 105 I C -0.608 175.080 176.117 -0.715 0.000 1.078 105 I CA -0.731 60.376 61.300 -0.322 0.000 1.292 105 I CB 0.835 38.749 38.000 -0.143 0.000 1.423 105 I HN 0.373 nan 8.210 nan 0.000 0.493 106 L N 7.730 128.549 121.223 -0.674 0.000 2.328 106 L HA 0.302 4.642 4.340 -0.000 0.000 0.280 106 L C -0.005 176.652 176.870 -0.356 0.000 1.111 106 L CA -0.153 54.286 54.840 -0.668 0.000 0.909 106 L CB 0.126 41.870 42.059 -0.524 0.000 1.277 106 L HN 0.380 nan 8.230 nan 0.000 0.433 107 D N 4.144 124.376 120.400 -0.280 0.000 2.363 107 D HA 0.206 4.846 4.640 -0.000 0.000 0.263 107 D C 0.518 176.673 176.300 -0.241 0.000 1.258 107 D CA 0.644 54.526 54.000 -0.196 0.000 0.907 107 D CB 1.374 42.103 40.800 -0.118 0.000 1.107 107 D HN 0.706 nan 8.370 nan 0.000 0.495 108 A N 3.160 125.762 122.820 -0.363 0.000 2.469 108 A HA 0.168 4.487 4.320 -0.000 0.000 0.245 108 A C 0.860 178.218 177.584 -0.376 0.000 1.221 108 A CA -0.082 51.669 52.037 -0.476 0.000 0.946 108 A CB -0.101 18.322 19.000 -0.960 0.000 1.049 108 A HN 0.525 nan 8.150 nan 0.000 0.529 109 S N 0.864 116.424 115.700 -0.234 0.000 2.579 109 S HA 0.458 4.928 4.470 -0.000 0.000 0.275 109 S C -2.438 172.126 174.600 -0.061 0.000 1.345 109 S CA -0.725 57.414 58.200 -0.102 0.000 1.031 109 S CB 0.200 63.372 63.200 -0.047 0.000 0.892 109 S HN 0.149 nan 8.310 nan 0.000 0.529 110 P HA 0.312 nan 4.420 nan 0.000 0.276 110 P C -0.825 176.472 177.300 -0.004 0.000 1.261 110 P CA -0.544 62.552 63.100 -0.007 0.000 0.800 110 P CB 0.430 32.136 31.700 0.009 0.000 1.066 111 D N 0.646 121.047 120.400 0.001 0.000 2.175 111 D HA 0.155 4.795 4.640 -0.000 0.000 0.248 111 D C -1.853 174.452 176.300 0.008 0.000 1.047 111 D CA -1.970 52.032 54.000 0.003 0.000 0.883 111 D CB 0.902 41.704 40.800 0.003 0.000 1.180 111 D HN 0.089 nan 8.370 nan 0.000 0.438 112 P HA 0.043 nan 4.420 nan 0.000 0.310 112 P C -0.874 176.434 177.300 0.013 0.000 1.512 112 P CA 0.625 63.732 63.100 0.012 0.000 0.753 112 P CB 0.059 31.765 31.700 0.011 0.000 1.608 113 E N -0.310 119.898 120.200 0.014 0.000 3.191 113 E HA 0.212 4.562 4.350 -0.000 0.000 0.303 113 E C 0.376 176.988 176.600 0.019 0.000 1.197 113 E CA -0.280 56.130 56.400 0.016 0.000 0.901 113 E CB 0.797 30.506 29.700 0.014 0.000 1.446 113 E HN 0.064 nan 8.360 nan 0.000 0.385 114 G N 1.019 109.832 108.800 0.022 0.000 2.569 114 G HA2 0.366 4.326 3.960 -0.000 0.000 0.249 114 G HA3 0.366 4.326 3.960 -0.000 0.000 0.249 114 G C 0.067 174.988 174.900 0.035 0.000 1.216 114 G CA 0.123 45.239 45.100 0.027 0.000 0.845 114 G HN 0.167 nan 8.290 nan 0.000 0.568 115 Q N -1.014 118.812 119.800 0.043 0.000 2.683 115 Q HA 0.375 4.715 4.340 -0.000 0.000 0.302 115 Q C -0.576 175.469 176.000 0.075 0.000 1.042 115 Q CA -0.875 54.962 55.803 0.057 0.000 0.773 115 Q CB 1.939 30.710 28.738 0.055 0.000 1.508 115 Q HN 0.471 nan 8.270 nan 0.000 0.459 116 E N -0.003 120.256 120.200 0.099 0.000 2.330 116 E HA 0.301 4.651 4.350 -0.000 0.000 0.256 116 E C -0.581 176.116 176.600 0.163 0.000 1.146 116 E CA -0.564 55.915 56.400 0.133 0.000 0.945 116 E CB 1.023 30.815 29.700 0.152 0.000 1.182 116 E HN 0.429 nan 8.360 nan 0.000 0.480 117 V N 0.317 120.349 119.914 0.196 0.000 4.665 117 V HA -0.208 3.912 4.120 -0.000 0.000 0.459 117 V C -0.069 176.074 176.094 0.082 0.000 0.691 117 V CA 0.856 63.265 62.300 0.181 0.000 1.763 117 V CB -1.554 30.377 31.823 0.180 0.000 2.086 117 V HN 0.458 nan 8.190 nan 0.000 0.494 118 V N 1.839 121.731 119.914 -0.038 0.000 2.670 118 V HA 0.790 4.910 4.120 -0.000 0.000 0.258 118 V C 0.623 176.617 176.094 -0.167 0.000 0.906 118 V CA 0.291 62.525 62.300 -0.111 0.000 0.887 118 V CB 1.150 33.010 31.823 0.062 0.000 1.059 118 V HN 1.088 nan 8.190 nan 0.000 0.484 119 G N -0.102 108.534 108.800 -0.274 0.000 4.385 119 G HA2 0.555 4.515 3.960 -0.000 0.000 0.283 119 G HA3 0.555 4.515 3.960 -0.000 0.000 0.283 119 G C 0.482 175.275 174.900 -0.180 0.000 1.020 119 G CA 0.626 45.637 45.100 -0.147 0.000 0.790 119 G HN 0.994 nan 8.290 nan 0.000 0.420 120 G N 0.646 109.231 108.800 -0.359 0.000 2.641 120 G HA2 0.278 4.238 3.960 -0.000 0.000 0.211 120 G HA3 0.278 4.238 3.960 -0.000 0.000 0.211 120 G C 1.194 176.010 174.900 -0.140 0.000 1.338 120 G CA 0.617 45.571 45.100 -0.244 0.000 0.572 120 G HN 0.321 nan 8.290 nan 0.000 1.023 121 F N 2.384 122.358 119.950 0.041 0.000 2.664 121 F HA 0.206 4.733 4.527 -0.000 0.000 0.296 121 F C 1.821 177.641 175.800 0.032 0.000 1.125 121 F CA 0.377 58.397 58.000 0.033 0.000 1.444 121 F CB -0.478 38.539 39.000 0.028 0.000 1.114 121 F HN 0.207 nan 8.300 nan 0.000 0.576 122 D N 1.147 121.755 120.400 0.346 0.000 2.162 122 D HA -0.131 4.508 4.640 -0.000 0.000 0.205 122 D C 2.074 178.459 176.300 0.142 0.000 0.964 122 D CA 0.586 54.753 54.000 0.279 0.000 0.847 122 D CB -0.756 40.170 40.800 0.210 0.000 0.988 122 D HN 0.265 nan 8.370 nan 0.000 0.480 123 L N 1.954 123.225 121.223 0.081 0.000 1.990 123 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 123 L C 2.511 179.431 176.870 0.084 0.000 1.072 123 L CA 2.550 57.436 54.840 0.075 0.000 0.755 123 L CB -1.227 40.861 42.059 0.049 0.000 0.889 123 L HN 0.231 nan 8.230 nan 0.000 0.432 124 S N -0.552 115.200 115.700 0.087 0.000 2.423 124 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 124 S C 2.103 176.757 174.600 0.090 0.000 1.014 124 S CA 0.787 59.037 58.200 0.083 0.000 0.965 124 S CB -0.531 62.719 63.200 0.083 0.000 0.785 124 S HN 0.472 nan 8.310 nan 0.000 0.495 125 A N 1.707 124.595 122.820 0.113 0.000 1.969 125 A HA 0.154 4.474 4.320 -0.000 0.000 0.218 125 A C 2.154 179.784 177.584 0.075 0.000 1.169 125 A CA 1.312 53.405 52.037 0.093 0.000 0.635 125 A CB -0.696 18.372 19.000 0.113 0.000 0.810 125 A HN 0.522 nan 8.150 nan 0.000 0.445 126 L N 0.061 121.332 121.223 0.081 0.000 2.005 126 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 126 L C 2.112 179.027 176.870 0.074 0.000 1.072 126 L CA 1.725 56.606 54.840 0.068 0.000 0.744 126 L CB -0.405 41.707 42.059 0.089 0.000 0.895 126 L HN 0.319 nan 8.230 nan 0.000 0.433 127 I N 0.041 120.657 120.570 0.076 0.000 2.194 127 I HA -0.309 3.861 4.170 -0.000 0.000 0.246 127 I C 2.512 178.680 176.117 0.086 0.000 1.093 127 I CA 1.584 62.928 61.300 0.072 0.000 1.355 127 I CB -1.466 36.569 38.000 0.058 0.000 1.046 127 I HN 0.469 nan 8.210 nan 0.000 0.413 128 E N 0.669 120.919 120.200 0.084 0.000 2.049 128 E HA -0.236 4.113 4.350 -0.000 0.000 0.198 128 E C 2.385 179.068 176.600 0.138 0.000 1.007 128 E CA 1.441 57.896 56.400 0.092 0.000 0.809 128 E CB -0.084 29.653 29.700 0.062 0.000 0.749 128 E HN 0.467 nan 8.360 nan 0.000 0.450 129 R N 0.417 120.993 120.500 0.127 0.000 2.088 129 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 129 R C 2.532 178.980 176.300 0.247 0.000 1.136 129 R CA 1.539 57.753 56.100 0.189 0.000 0.926 129 R CB -0.597 29.778 30.300 0.124 0.000 0.837 129 R HN 0.192 nan 8.270 nan 0.000 0.429 130 I N 1.276 121.940 120.570 0.157 0.000 2.068 130 I HA -0.404 3.765 4.170 -0.000 0.000 0.238 130 I C 2.387 178.600 176.117 0.159 0.000 1.046 130 I CA 1.822 63.206 61.300 0.140 0.000 1.306 130 I CB -0.640 37.409 38.000 0.083 0.000 1.023 130 I HN 0.286 nan 8.210 nan 0.000 0.399 131 N N 0.640 119.423 118.700 0.139 0.000 2.021 131 N HA -0.320 4.419 4.740 -0.000 0.000 0.198 131 N C 1.968 177.572 175.510 0.158 0.000 1.041 131 N CA 2.069 55.193 53.050 0.124 0.000 0.862 131 N CB -0.611 37.941 38.487 0.108 0.000 1.048 131 N HN 0.384 nan 8.380 nan 0.000 0.427 132 Y N 0.876 121.225 120.300 0.082 0.000 2.014 132 Y HA -0.292 4.258 4.550 -0.000 0.000 0.272 132 Y C 2.377 178.345 175.900 0.114 0.000 1.164 132 Y CA 2.566 60.713 58.100 0.079 0.000 1.114 132 Y CB -1.216 37.292 38.460 0.080 0.000 0.961 132 Y HN 0.208 nan 8.280 nan 0.000 0.489 133 A N 0.431 123.330 122.820 0.132 0.000 1.927 133 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 133 A C 2.392 180.059 177.584 0.138 0.000 1.185 133 A CA 2.360 54.483 52.037 0.142 0.000 0.639 133 A CB -1.334 17.978 19.000 0.521 0.000 0.820 133 A HN 0.651 nan 8.150 nan 0.000 0.451 134 I N -1.006 119.631 120.570 0.112 0.000 2.226 134 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 134 I C 2.824 178.959 176.117 0.030 0.000 1.100 134 I CA 1.581 62.933 61.300 0.086 0.000 1.374 134 I CB -0.525 37.517 38.000 0.070 0.000 1.057 134 I HN 0.453 nan 8.210 nan 0.000 0.413 135 Q N 0.677 120.463 119.800 -0.023 0.000 2.084 135 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 135 Q C 2.259 178.166 176.000 -0.156 0.000 0.978 135 Q CA 1.590 57.350 55.803 -0.071 0.000 0.844 135 Q CB -0.107 28.596 28.738 -0.059 0.000 0.898 135 Q HN 0.397 nan 8.270 nan 0.000 0.426 136 K N 0.152 120.374 120.400 -0.296 0.000 1.978 136 K HA -0.188 4.132 4.320 -0.000 0.000 0.214 136 K C 1.468 177.816 176.600 -0.419 0.000 1.049 136 K CA 1.566 57.576 56.287 -0.462 0.000 0.939 136 K CB -0.107 31.945 32.500 -0.747 0.000 0.721 136 K HN 0.167 nan 8.250 nan 0.000 0.441 137 Y N 0.140 120.313 120.300 -0.212 0.000 2.529 137 Y HA 0.201 4.751 4.550 -0.000 0.000 0.290 137 Y C 0.106 175.954 175.900 -0.087 0.000 1.177 137 Y CA 0.312 58.330 58.100 -0.136 0.000 1.305 137 Y CB 0.208 38.603 38.460 -0.107 0.000 1.047 137 Y HN 0.106 nan 8.280 nan 0.000 0.522 138 R N -0.516 120.001 120.500 0.030 0.000 3.418 138 R HA -0.143 4.197 4.340 -0.000 0.000 0.274 138 R C -0.042 176.280 176.300 0.036 0.000 1.108 138 R CA 0.238 56.345 56.100 0.011 0.000 0.741 138 R CB -1.754 28.540 30.300 -0.012 0.000 1.223 138 R HN 0.277 nan 8.270 nan 0.000 0.434 139 A N 0.722 123.579 122.820 0.062 0.000 2.477 139 A HA 0.296 4.616 4.320 -0.000 0.000 0.246 139 A C 1.106 178.701 177.584 0.019 0.000 1.078 139 A CA -0.014 52.052 52.037 0.048 0.000 0.770 139 A CB 0.375 19.416 19.000 0.068 0.000 1.011 139 A HN 0.342 nan 8.150 nan 0.000 0.494 140 R N 0.804 121.301 120.500 -0.006 0.000 2.369 140 R HA 0.138 4.478 4.340 -0.000 0.000 0.210 140 R C -0.090 176.199 176.300 -0.018 0.000 0.881 140 R CA 0.561 56.648 56.100 -0.022 0.000 1.031 140 R CB 0.290 30.557 30.300 -0.055 0.000 1.184 140 R HN 0.794 nan 8.270 nan 0.000 0.581 141 R N 0.519 121.002 120.500 -0.028 0.000 2.621 141 R HA 0.625 4.964 4.340 -0.000 0.000 0.292 141 R C -0.892 175.451 176.300 0.072 0.000 0.969 141 R CA -0.682 55.421 56.100 0.005 0.000 0.887 141 R CB 2.841 32.996 30.300 -0.241 0.000 1.180 141 R HN -0.245 nan 8.270 nan 0.000 0.450 142 V N 0.920 120.928 119.914 0.157 0.000 2.962 142 V HA 0.544 4.664 4.120 -0.000 0.000 0.313 142 V C -0.531 175.637 176.094 0.124 0.000 1.099 142 V CA -0.719 61.643 62.300 0.103 0.000 0.971 142 V CB 2.497 34.354 31.823 0.058 0.000 1.028 142 V HN 0.799 nan 8.190 nan 0.000 0.430 143 S N 3.198 118.902 115.700 0.006 0.000 2.619 143 S HA 0.665 5.135 4.470 -0.000 0.000 0.280 143 S C -0.911 173.510 174.600 -0.299 0.000 1.150 143 S CA -0.378 57.772 58.200 -0.084 0.000 0.978 143 S CB 1.298 64.488 63.200 -0.017 0.000 1.041 143 S HN 0.521 nan 8.310 nan 0.000 0.485 144 I N 2.458 122.906 120.570 -0.203 0.000 2.362 144 I HA 0.315 4.485 4.170 -0.000 0.000 0.289 144 I C -0.667 175.340 176.117 -0.185 0.000 0.994 144 I CA -0.645 60.553 61.300 -0.170 0.000 1.158 144 I CB 1.503 39.482 38.000 -0.035 0.000 1.315 144 I HN 0.458 nan 8.210 nan 0.000 0.451 145 D N 5.632 125.907 120.400 -0.208 0.000 2.313 145 D HA 0.192 4.832 4.640 -0.000 0.000 0.239 145 D C 0.241 176.539 176.300 -0.004 0.000 1.142 145 D CA 0.330 54.275 54.000 -0.091 0.000 0.847 145 D CB 0.691 41.468 40.800 -0.038 0.000 1.082 145 D HN 0.648 nan 8.370 nan 0.000 0.480 146 S N 1.518 117.178 115.700 -0.066 0.000 3.477 146 S HA -0.205 4.265 4.470 -0.000 0.000 0.426 146 S C 1.192 175.589 174.600 -0.337 0.000 0.874 146 S CA 0.455 58.584 58.200 -0.117 0.000 1.341 146 S CB -2.621 60.555 63.200 -0.039 0.000 0.917 146 S HN 0.794 nan 8.310 nan 0.000 0.607 147 V N -0.707 118.962 119.914 -0.408 0.000 2.490 147 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 147 V C 2.441 178.060 176.094 -0.791 0.000 1.061 147 V CA 2.110 63.969 62.300 -0.735 0.000 1.064 147 V CB -1.956 29.619 31.823 -0.412 0.000 0.670 147 V HN 0.797 nan 8.190 nan 0.000 0.461 148 T N 2.456 116.794 114.554 -0.361 0.000 2.592 148 T HA -0.298 4.052 4.350 -0.000 0.000 0.267 148 T C 2.093 176.614 174.700 -0.297 0.000 1.060 148 T CA 3.146 65.166 62.100 -0.133 0.000 1.167 148 T CB -0.929 67.983 68.868 0.072 0.000 0.863 148 T HN 0.949 nan 8.240 nan 0.000 0.431 149 S N 1.010 116.568 115.700 -0.238 0.000 2.444 149 S HA -0.142 4.328 4.470 -0.000 0.000 0.244 149 S C 2.020 176.470 174.600 -0.250 0.000 1.025 149 S CA 1.199 59.303 58.200 -0.159 0.000 0.995 149 S CB -1.043 62.110 63.200 -0.079 0.000 0.781 149 S HN 0.325 nan 8.310 nan 0.000 0.496 150 V N 1.490 121.066 119.914 -0.564 0.000 2.283 150 V HA -0.025 4.095 4.120 -0.000 0.000 0.243 150 V C 1.621 177.453 176.094 -0.436 0.000 1.039 150 V CA 1.606 63.581 62.300 -0.542 0.000 1.016 150 V CB -0.655 30.690 31.823 -0.797 0.000 0.650 150 V HN 0.662 nan 8.190 nan 0.000 0.449 151 F N -0.476 119.400 119.950 -0.123 0.000 2.725 151 F HA 0.347 4.874 4.527 -0.000 0.000 0.303 151 F C 1.443 177.188 175.800 -0.092 0.000 1.167 151 F CA -0.175 57.735 58.000 -0.149 0.000 1.403 151 F CB -0.683 38.171 39.000 -0.243 0.000 1.077 151 F HN 0.105 nan 8.300 nan 0.000 0.537 152 Q N 1.425 121.261 119.800 0.059 0.000 2.620 152 Q HA 0.119 4.459 4.340 -0.000 0.000 0.333 152 Q C 0.866 176.858 176.000 -0.014 0.000 1.017 152 Q CA 0.230 56.088 55.803 0.093 0.000 0.962 152 Q CB 0.221 29.008 28.738 0.082 0.000 1.297 152 Q HN 0.664 nan 8.270 nan 0.000 0.419 153 Q N -0.461 119.269 119.800 -0.116 0.000 2.431 153 Q HA 0.032 4.371 4.340 -0.000 0.000 0.244 153 Q C -0.558 175.230 176.000 -0.352 0.000 0.880 153 Q CA 0.371 55.969 55.803 -0.341 0.000 0.954 153 Q CB 1.018 29.387 28.738 -0.616 0.000 1.105 153 Q HN 0.490 nan 8.270 nan 0.000 0.558 154 Y N -1.776 118.556 120.300 0.054 0.000 3.379 154 Y HA 0.235 4.784 4.550 -0.000 0.000 0.202 154 Y C -1.547 174.362 175.900 0.015 0.000 0.591 154 Y CA -1.107 57.016 58.100 0.038 0.000 1.126 154 Y CB -1.527 36.949 38.460 0.026 0.000 1.086 154 Y HN -0.172 nan 8.280 nan 0.000 0.525 155 D N 1.375 121.886 120.400 0.185 0.000 2.392 155 D HA 0.866 5.506 4.640 -0.000 0.000 0.246 155 D C -0.517 175.767 176.300 -0.027 0.000 1.013 155 D CA -0.444 53.595 54.000 0.065 0.000 0.993 155 D CB 2.572 43.349 40.800 -0.038 0.000 1.219 155 D HN 0.465 nan 8.370 nan 0.000 0.538 156 A N 0.104 122.870 122.820 -0.090 0.000 2.414 156 A HA 0.467 4.787 4.320 -0.000 0.000 0.306 156 A C 0.987 178.475 177.584 -0.160 0.000 1.054 156 A CA -0.005 51.984 52.037 -0.080 0.000 0.724 156 A CB 1.496 20.482 19.000 -0.024 0.000 1.267 156 A HN 0.617 nan 8.150 nan 0.000 0.418 157 S N 2.400 118.029 115.700 -0.118 0.000 2.225 157 S HA -0.409 4.061 4.470 -0.000 0.000 0.410 157 S C 1.963 176.462 174.600 -0.168 0.000 1.068 157 S CA 3.192 61.322 58.200 -0.117 0.000 2.275 157 S CB -1.906 61.280 63.200 -0.023 0.000 1.740 157 S HN 2.045 nan 8.310 nan 0.000 0.508 158 S N 2.188 117.820 115.700 -0.113 0.000 2.389 158 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 158 S C 1.916 176.437 174.600 -0.131 0.000 1.052 158 S CA 1.698 59.833 58.200 -0.109 0.000 1.053 158 S CB -1.403 61.748 63.200 -0.081 0.000 0.886 158 S HN 0.658 nan 8.310 nan 0.000 0.456 159 V N 1.525 121.355 119.914 -0.141 0.000 2.626 159 V HA -0.076 4.044 4.120 -0.000 0.000 0.252 159 V C 2.396 178.351 176.094 -0.232 0.000 1.067 159 V CA 1.247 63.466 62.300 -0.134 0.000 1.081 159 V CB -0.776 30.990 31.823 -0.094 0.000 0.686 159 V HN 0.448 nan 8.190 nan 0.000 0.468 160 V N -0.064 119.612 119.914 -0.397 0.000 2.591 160 V HA -0.139 3.981 4.120 -0.000 0.000 0.249 160 V C 2.471 178.283 176.094 -0.470 0.000 1.053 160 V CA 1.915 63.769 62.300 -0.743 0.000 1.068 160 V CB -0.678 30.493 31.823 -1.086 0.000 0.689 160 V HN 0.473 nan 8.190 nan 0.000 0.462 161 R N 0.405 120.751 120.500 -0.256 0.000 2.061 161 R HA -0.128 4.212 4.340 -0.000 0.000 0.230 161 R C 2.568 178.846 176.300 -0.036 0.000 1.140 161 R CA 1.657 57.686 56.100 -0.118 0.000 0.940 161 R CB -0.307 29.937 30.300 -0.092 0.000 0.839 161 R HN 0.284 nan 8.270 nan 0.000 0.429 162 R N 0.082 120.556 120.500 -0.043 0.000 2.103 162 R HA -0.150 4.190 4.340 -0.000 0.000 0.242 162 R C 2.093 178.461 176.300 0.112 0.000 1.142 162 R CA 1.797 57.922 56.100 0.042 0.000 0.960 162 R CB -0.061 30.241 30.300 0.003 0.000 0.858 162 R HN 0.321 nan 8.270 nan 0.000 0.439 163 E N 0.525 120.744 120.200 0.030 0.000 2.077 163 E HA -0.198 4.151 4.350 -0.000 0.000 0.193 163 E C 2.101 178.775 176.600 0.122 0.000 0.989 163 E CA 0.873 57.318 56.400 0.075 0.000 0.800 163 E CB -0.215 29.532 29.700 0.078 0.000 0.746 163 E HN 0.379 nan 8.360 nan 0.000 0.452 164 L N -0.007 121.275 121.223 0.098 0.000 1.961 164 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 164 L C 2.517 179.462 176.870 0.126 0.000 1.072 164 L CA 1.401 56.320 54.840 0.131 0.000 0.749 164 L CB -0.597 41.525 42.059 0.104 0.000 0.889 164 L HN 0.092 nan 8.230 nan 0.000 0.432 165 F N 0.968 120.924 119.950 0.010 0.000 2.135 165 F HA -0.363 4.164 4.527 -0.000 0.000 0.300 165 F C 2.772 178.583 175.800 0.019 0.000 1.074 165 F CA 2.202 60.209 58.000 0.012 0.000 1.262 165 F CB -0.368 38.632 39.000 0.001 0.000 1.013 165 F HN 0.000 nan 8.300 nan 0.000 0.489 166 R N -0.036 120.467 120.500 0.005 0.000 2.064 166 R HA -0.164 4.176 4.340 -0.000 0.000 0.228 166 R C 2.245 178.484 176.300 -0.103 0.000 1.144 166 R CA 1.685 57.738 56.100 -0.079 0.000 0.932 166 R CB -0.905 29.416 30.300 0.034 0.000 0.833 166 R HN 0.390 nan 8.270 nan 0.000 0.429 167 L N 1.033 122.244 121.223 -0.020 0.000 1.957 167 L HA -0.252 4.088 4.340 -0.000 0.000 0.228 167 L C 2.307 179.145 176.870 -0.054 0.000 1.086 167 L CA 2.055 56.889 54.840 -0.011 0.000 0.796 167 L CB -0.975 41.100 42.059 0.028 0.000 0.900 167 L HN 0.161 nan 8.230 nan 0.000 0.439 168 V N 0.274 120.153 119.914 -0.057 0.000 2.236 168 V HA -0.448 3.672 4.120 -0.000 0.000 0.255 168 V C 2.759 178.775 176.094 -0.130 0.000 1.068 168 V CA 2.549 64.805 62.300 -0.074 0.000 1.044 168 V CB -1.835 29.955 31.823 -0.056 0.000 0.653 168 V HN 0.757 nan 8.190 nan 0.000 0.448 169 A N -0.168 122.493 122.820 -0.265 0.000 1.859 169 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 169 A C 2.330 179.817 177.584 -0.161 0.000 1.209 169 A CA 2.437 54.289 52.037 -0.309 0.000 0.639 169 A CB -0.673 17.977 19.000 -0.583 0.000 0.835 169 A HN 0.452 nan 8.150 nan 0.000 0.450 170 R N -0.634 119.790 120.500 -0.126 0.000 2.094 170 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 170 R C 2.146 178.425 176.300 -0.035 0.000 1.137 170 R CA 1.726 57.791 56.100 -0.059 0.000 0.943 170 R CB -1.233 29.049 30.300 -0.029 0.000 0.850 170 R HN 0.619 nan 8.270 nan 0.000 0.433 171 L N 0.711 121.915 121.223 -0.031 0.000 2.261 171 L HA -0.187 4.153 4.340 -0.000 0.000 0.216 171 L C 2.568 179.431 176.870 -0.012 0.000 1.114 171 L CA 1.349 56.183 54.840 -0.011 0.000 0.777 171 L CB -0.287 41.768 42.059 -0.007 0.000 0.910 171 L HN 0.174 nan 8.230 nan 0.000 0.440 172 K N -0.555 119.826 120.400 -0.031 0.000 2.076 172 K HA -0.139 4.181 4.320 -0.000 0.000 0.204 172 K C 2.174 178.766 176.600 -0.012 0.000 1.051 172 K CA 0.981 57.254 56.287 -0.023 0.000 0.949 172 K CB 0.077 32.551 32.500 -0.042 0.000 0.726 172 K HN 0.349 nan 8.250 nan 0.000 0.443 173 Q N 0.514 120.302 119.800 -0.019 0.000 2.002 173 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 173 Q C 2.004 178.006 176.000 0.004 0.000 0.988 173 Q CA 1.429 57.227 55.803 -0.007 0.000 0.843 173 Q CB -0.163 28.568 28.738 -0.011 0.000 0.908 173 Q HN 0.285 nan 8.270 nan 0.000 0.420 174 I N -0.297 120.277 120.570 0.007 0.000 2.300 174 I HA -0.194 3.976 4.170 -0.000 0.000 0.252 174 I C 1.533 177.659 176.117 0.015 0.000 1.119 174 I CA 1.800 63.109 61.300 0.016 0.000 1.384 174 I CB -1.482 36.532 38.000 0.024 0.000 1.062 174 I HN 0.576 nan 8.210 nan 0.000 0.426 175 G N 0.712 109.519 108.800 0.013 0.000 2.130 175 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 175 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 175 G C 0.334 175.246 174.900 0.019 0.000 0.999 175 G CA 0.100 45.208 45.100 0.014 0.000 0.686 175 G HN 0.765 nan 8.290 nan 0.000 0.515 176 A N 0.161 122.995 122.820 0.023 0.000 2.328 176 A HA 0.743 5.062 4.320 -0.000 0.000 0.284 176 A C 0.612 178.223 177.584 0.044 0.000 1.160 176 A CA 0.542 52.600 52.037 0.034 0.000 0.818 176 A CB 0.652 19.674 19.000 0.037 0.000 1.087 176 A HN 0.694 nan 8.150 nan 0.000 0.504 177 T N 3.335 117.931 114.554 0.069 0.000 2.747 177 T HA 0.434 4.783 4.350 -0.000 0.000 0.301 177 T C 0.292 175.077 174.700 0.141 0.000 0.952 177 T CA 0.261 62.421 62.100 0.100 0.000 0.983 177 T CB 0.189 69.140 68.868 0.138 0.000 0.930 177 T HN 0.689 nan 8.240 nan 0.000 0.494 178 T N 2.492 117.086 114.554 0.066 0.000 2.948 178 T HA 0.649 4.999 4.350 -0.000 0.000 0.285 178 T C -0.426 174.234 174.700 -0.066 0.000 1.019 178 T CA -0.598 61.525 62.100 0.038 0.000 1.013 178 T CB 1.551 70.426 68.868 0.010 0.000 1.117 178 T HN 0.268 nan 8.240 nan 0.000 0.533 179 V N 2.255 122.123 119.914 -0.077 0.000 2.488 179 V HA 0.401 4.521 4.120 -0.000 0.000 0.293 179 V C -0.704 175.340 176.094 -0.083 0.000 1.027 179 V CA -0.590 61.624 62.300 -0.142 0.000 0.862 179 V CB 1.457 33.150 31.823 -0.217 0.000 1.008 179 V HN 0.803 nan 8.190 nan 0.000 0.428 180 M N 3.115 122.663 119.600 -0.086 0.000 2.363 180 M HA 0.504 4.984 4.480 -0.000 0.000 0.343 180 M C -0.156 176.095 176.300 -0.081 0.000 1.165 180 M CA -0.226 55.027 55.300 -0.077 0.000 1.046 180 M CB 2.135 34.700 32.600 -0.059 0.000 1.648 180 M HN 0.485 nan 8.290 nan 0.000 0.452 181 T N 2.152 116.661 114.554 -0.075 0.000 2.771 181 T HA 0.523 4.873 4.350 -0.000 0.000 0.281 181 T C -0.444 174.224 174.700 -0.053 0.000 0.982 181 T CA -0.549 61.515 62.100 -0.060 0.000 0.978 181 T CB 0.906 69.756 68.868 -0.030 0.000 0.930 181 T HN 0.645 nan 8.240 nan 0.000 0.447 182 T N 2.551 117.079 114.554 -0.043 0.000 2.863 182 T HA 0.510 4.860 4.350 -0.000 0.000 0.285 182 T C -0.410 174.274 174.700 -0.026 0.000 1.009 182 T CA -1.214 60.873 62.100 -0.022 0.000 0.989 182 T CB 1.626 70.489 68.868 -0.007 0.000 1.004 182 T HN 0.653 nan 8.240 nan 0.000 0.455 183 E N 2.412 122.598 120.200 -0.022 0.000 2.204 183 E HA 0.601 4.951 4.350 -0.000 0.000 0.276 183 E C -0.481 176.087 176.600 -0.052 0.000 0.974 183 E CA -1.038 55.345 56.400 -0.030 0.000 0.815 183 E CB 1.818 31.505 29.700 -0.022 0.000 1.119 183 E HN 0.468 nan 8.360 nan 0.000 0.393 184 R N 1.231 121.700 120.500 -0.051 0.000 2.981 184 R HA 0.488 4.828 4.340 -0.000 0.000 0.228 184 R C 0.592 176.856 176.300 -0.060 0.000 1.421 184 R CA -0.818 55.243 56.100 -0.064 0.000 1.073 184 R CB 0.710 30.975 30.300 -0.058 0.000 1.568 184 R HN 0.558 nan 8.270 nan 0.000 0.514 185 I N -1.579 118.956 120.570 -0.058 0.000 4.765 185 I HA 0.284 4.454 4.170 -0.000 0.000 0.349 185 I C -0.224 175.871 176.117 -0.036 0.000 1.278 185 I CA 0.313 61.585 61.300 -0.047 0.000 1.331 185 I CB 0.531 38.500 38.000 -0.051 0.000 1.570 185 I HN 0.489 nan 8.210 nan 0.000 0.538 186 E N 1.802 121.978 120.200 -0.039 0.000 2.313 186 E HA 0.201 4.551 4.350 -0.000 0.000 0.280 186 E C 0.137 176.702 176.600 -0.058 0.000 0.898 186 E CA 0.022 56.404 56.400 -0.030 0.000 0.803 186 E CB 2.368 32.067 29.700 -0.001 0.000 1.286 186 E HN -0.027 nan 8.360 nan 0.000 0.401 187 E N 1.993 122.122 120.200 -0.117 0.000 2.253 187 E HA -0.192 4.158 4.350 -0.000 0.000 0.202 187 E C 0.321 176.692 176.600 -0.382 0.000 1.014 187 E CA 1.789 58.020 56.400 -0.282 0.000 0.823 187 E CB -0.005 29.462 29.700 -0.389 0.000 0.736 187 E HN 0.507 nan 8.360 nan 0.000 0.478 188 Y N -2.178 118.114 120.300 -0.013 0.000 2.719 188 Y HA 0.353 4.903 4.550 -0.000 0.000 0.251 188 Y C 0.982 176.872 175.900 -0.016 0.000 1.159 188 Y CA -0.601 57.490 58.100 -0.015 0.000 1.166 188 Y CB 1.024 39.477 38.460 -0.012 0.000 1.219 188 Y HN 0.029 nan 8.280 nan 0.000 0.551 189 G N 1.252 110.112 108.800 0.100 0.000 2.666 189 G HA2 0.243 4.203 3.960 -0.000 0.000 0.207 189 G HA3 0.243 4.203 3.960 -0.000 0.000 0.207 189 G C -1.982 172.940 174.900 0.037 0.000 1.481 189 G CA -0.756 44.378 45.100 0.057 0.000 1.071 189 G HN -0.099 nan 8.290 nan 0.000 0.572 190 P HA 0.117 nan 4.420 nan 0.000 0.272 190 P C 0.228 177.518 177.300 -0.016 0.000 1.248 190 P CA -0.275 62.827 63.100 0.003 0.000 0.799 190 P CB 0.843 32.544 31.700 0.001 0.000 0.997 191 I N -0.830 119.717 120.570 -0.039 0.000 3.059 191 I HA 0.146 4.316 4.170 -0.000 0.000 0.270 191 I C 1.158 177.242 176.117 -0.056 0.000 1.238 191 I CA 0.867 62.132 61.300 -0.058 0.000 1.478 191 I CB -0.768 37.171 38.000 -0.102 0.000 1.097 191 I HN 0.440 nan 8.210 nan 0.000 0.455 192 A N -1.136 121.656 122.820 -0.047 0.000 2.594 192 A HA 0.458 4.778 4.320 -0.000 0.000 0.296 192 A C 0.979 178.514 177.584 -0.082 0.000 1.061 192 A CA -0.664 51.345 52.037 -0.047 0.000 0.689 192 A CB 0.779 19.770 19.000 -0.014 0.000 1.280 192 A HN -0.032 nan 8.150 nan 0.000 0.406 193 R N -0.122 120.279 120.500 -0.165 0.000 2.261 193 R HA -0.296 4.044 4.340 -0.000 0.000 0.252 193 R C 0.822 176.831 176.300 -0.485 0.000 1.116 193 R CA 2.957 58.817 56.100 -0.400 0.000 0.942 193 R CB -0.468 29.433 30.300 -0.666 0.000 0.932 193 R HN 0.828 nan 8.270 nan 0.000 0.441 194 Y N -1.339 118.964 120.300 0.005 0.000 2.457 194 Y HA 0.224 4.774 4.550 -0.000 0.000 0.263 194 Y C 1.543 177.445 175.900 0.003 0.000 1.164 194 Y CA 0.211 58.301 58.100 -0.015 0.000 1.274 194 Y CB 0.740 39.154 38.460 -0.075 0.000 1.097 194 Y HN 0.393 nan 8.280 nan 0.000 0.523 195 G N 0.135 109.002 108.800 0.112 0.000 2.168 195 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 195 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 195 G C 0.621 175.650 174.900 0.215 0.000 0.997 195 G CA 0.803 45.984 45.100 0.135 0.000 0.708 195 G HN 0.325 nan 8.290 nan 0.000 0.520 196 V N -0.887 119.137 119.914 0.184 0.000 2.948 196 V HA 0.109 4.229 4.120 -0.000 0.000 0.234 196 V C 2.358 178.567 176.094 0.191 0.000 1.205 196 V CA 1.779 64.195 62.300 0.194 0.000 1.234 196 V CB -0.166 31.696 31.823 0.065 0.000 1.020 196 V HN 0.320 nan 8.190 nan 0.000 0.491 197 E N 1.097 121.361 120.200 0.107 0.000 2.136 197 E HA -0.311 4.039 4.350 -0.000 0.000 0.208 197 E C 1.772 178.383 176.600 0.017 0.000 1.035 197 E CA 2.139 58.580 56.400 0.070 0.000 0.838 197 E CB -0.351 29.388 29.700 0.066 0.000 0.748 197 E HN 0.664 nan 8.360 nan 0.000 0.459 198 E N -0.101 120.048 120.200 -0.085 0.000 2.054 198 E HA -0.247 4.103 4.350 -0.000 0.000 0.225 198 E C 1.835 178.275 176.600 -0.267 0.000 1.048 198 E CA 2.119 58.334 56.400 -0.308 0.000 0.899 198 E CB -0.587 28.666 29.700 -0.745 0.000 0.801 198 E HN 0.294 nan 8.360 nan 0.000 0.495 199 F N 0.194 120.149 119.950 0.008 0.000 2.120 199 F HA -0.244 4.283 4.527 -0.000 0.000 0.300 199 F C 2.400 178.215 175.800 0.024 0.000 1.095 199 F CA 0.890 58.896 58.000 0.009 0.000 1.249 199 F CB -1.129 37.870 39.000 -0.002 0.000 0.995 199 F HN -0.060 nan 8.300 nan 0.000 0.480 200 V N -0.536 119.509 119.914 0.219 0.000 2.282 200 V HA -0.283 3.836 4.120 -0.000 0.000 0.249 200 V C 1.138 177.312 176.094 0.133 0.000 1.057 200 V CA 1.604 64.010 62.300 0.177 0.000 1.032 200 V CB -1.029 30.892 31.823 0.163 0.000 0.645 200 V HN 0.250 nan 8.190 nan 0.000 0.447 201 S N 0.376 116.118 115.700 0.071 0.000 2.580 201 S HA 0.105 4.575 4.470 -0.000 0.000 0.274 201 S C 0.842 175.458 174.600 0.026 0.000 1.329 201 S CA -0.458 57.763 58.200 0.035 0.000 1.036 201 S CB 0.946 64.144 63.200 -0.003 0.000 0.919 201 S HN 0.431 nan 8.310 nan 0.000 0.515 202 D N 1.191 121.603 120.400 0.021 0.000 2.234 202 D HA 0.005 4.645 4.640 -0.000 0.000 0.205 202 D C -0.051 176.246 176.300 -0.005 0.000 0.962 202 D CA 0.991 55.002 54.000 0.018 0.000 0.855 202 D CB 0.112 40.925 40.800 0.021 0.000 0.951 202 D HN 0.490 nan 8.370 nan 0.000 0.500 203 N N 0.060 118.744 118.700 -0.025 0.000 2.242 203 N HA 0.348 5.088 4.740 -0.000 0.000 0.292 203 N C -1.110 174.357 175.510 -0.072 0.000 1.125 203 N CA -0.430 52.589 53.050 -0.052 0.000 0.783 203 N CB 3.187 41.650 38.487 -0.040 0.000 1.558 203 N HN -0.258 nan 8.380 nan 0.000 0.472 204 V N 1.071 120.924 119.914 -0.102 0.000 2.841 204 V HA 0.539 4.659 4.120 -0.000 0.000 0.310 204 V C -0.619 175.401 176.094 -0.123 0.000 1.090 204 V CA -0.686 61.547 62.300 -0.111 0.000 0.930 204 V CB 2.491 34.243 31.823 -0.119 0.000 1.014 204 V HN 0.421 nan 8.190 nan 0.000 0.425 205 V N 5.355 125.192 119.914 -0.128 0.000 2.709 205 V HA 0.597 4.717 4.120 -0.000 0.000 0.308 205 V C -0.738 175.276 176.094 -0.133 0.000 1.062 205 V CA -0.440 61.783 62.300 -0.128 0.000 0.901 205 V CB 2.128 33.844 31.823 -0.178 0.000 1.003 205 V HN 0.703 nan 8.190 nan 0.000 0.425 206 I N 5.161 125.682 120.570 -0.082 0.000 2.436 206 I HA 0.501 4.671 4.170 -0.000 0.000 0.289 206 I C -0.913 175.200 176.117 -0.006 0.000 1.010 206 I CA -0.497 60.769 61.300 -0.057 0.000 1.098 206 I CB 1.927 39.907 38.000 -0.034 0.000 1.266 206 I HN 0.299 nan 8.210 nan 0.000 0.434 207 L N 6.690 127.914 121.223 0.001 0.000 2.313 207 L HA 0.600 4.940 4.340 -0.000 0.000 0.283 207 L C -0.237 176.683 176.870 0.084 0.000 1.013 207 L CA -0.576 54.340 54.840 0.126 0.000 0.816 207 L CB 1.378 43.514 42.059 0.128 0.000 1.236 207 L HN 0.580 nan 8.230 nan 0.000 0.419 208 R N 1.830 122.379 120.500 0.081 0.000 2.854 208 R HA 0.369 4.709 4.340 -0.000 0.000 0.271 208 R C -0.417 175.852 176.300 -0.052 0.000 0.996 208 R CA -0.736 55.340 56.100 -0.040 0.000 0.961 208 R CB 1.906 32.123 30.300 -0.138 0.000 1.182 208 R HN 0.527 nan 8.270 nan 0.000 0.479 209 N N 0.982 119.630 118.700 -0.087 0.000 2.644 209 N HA 0.112 4.852 4.740 -0.000 0.000 0.313 209 N C -0.816 174.638 175.510 -0.093 0.000 1.863 209 N CA -0.149 52.852 53.050 -0.082 0.000 0.918 209 N CB 0.891 39.352 38.487 -0.044 0.000 1.320 209 N HN 0.207 nan 8.380 nan 0.000 0.490 210 V N 2.406 122.251 119.914 -0.115 0.000 2.678 210 V HA -0.163 3.957 4.120 -0.000 0.000 0.304 210 V C 1.282 177.348 176.094 -0.047 0.000 1.086 210 V CA 0.577 62.817 62.300 -0.099 0.000 1.246 210 V CB 0.170 31.960 31.823 -0.054 0.000 0.861 210 V HN 0.459 nan 8.190 nan 0.000 0.491 211 L N 4.460 125.663 121.223 -0.033 0.000 2.539 211 L HA 0.383 4.723 4.340 -0.000 0.000 0.160 211 L C 0.942 177.815 176.870 0.005 0.000 1.447 211 L CA 1.205 56.038 54.840 -0.013 0.000 3.093 211 L CB -0.310 41.744 42.059 -0.009 0.000 2.998 211 L HN 1.047 nan 8.230 nan 0.000 1.023 212 E N -0.340 119.868 120.200 0.013 0.000 7.466 212 E HA -0.102 4.248 4.350 -0.000 0.000 0.222 212 E C 0.143 176.751 176.600 0.013 0.000 0.883 212 E CA 0.734 57.146 56.400 0.021 0.000 1.631 212 E CB -1.739 27.982 29.700 0.035 0.000 0.901 212 E HN 1.439 nan 8.360 nan 0.000 0.264 213 G N 4.594 113.400 108.800 0.010 0.000 2.246 213 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.273 213 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.273 213 G C 0.574 175.475 174.900 0.003 0.000 1.055 213 G CA 1.203 46.306 45.100 0.005 0.000 0.851 213 G HN 0.939 nan 8.290 nan 0.000 0.500 214 E N -2.853 117.348 120.200 0.002 0.000 3.799 214 E HA -0.247 4.103 4.350 -0.000 0.000 0.320 214 E C 0.913 177.513 176.600 -0.001 0.000 0.760 214 E CA 1.577 57.976 56.400 -0.001 0.000 1.153 214 E CB -0.550 29.149 29.700 -0.002 0.000 1.589 214 E HN 0.618 nan 8.360 nan 0.000 0.448 215 R N 0.720 121.221 120.500 0.001 0.000 2.732 215 R HA 0.490 4.829 4.340 -0.000 0.000 0.278 215 R C 0.198 176.495 176.300 -0.005 0.000 0.976 215 R CA -0.584 55.516 56.100 0.000 0.000 0.963 215 R CB 1.097 31.400 30.300 0.006 0.000 1.150 215 R HN -0.006 nan 8.270 nan 0.000 0.478 216 R N 1.517 122.010 120.500 -0.012 0.000 2.589 216 R HA 0.441 4.781 4.340 -0.000 0.000 0.293 216 R C -0.184 176.096 176.300 -0.033 0.000 0.963 216 R CA -0.794 55.292 56.100 -0.023 0.000 0.905 216 R CB 2.520 32.804 30.300 -0.026 0.000 1.144 216 R HN 0.455 nan 8.270 nan 0.000 0.459 217 R N 2.624 123.097 120.500 -0.045 0.000 2.476 217 R HA 0.307 4.647 4.340 -0.000 0.000 0.305 217 R C -0.738 175.491 176.300 -0.120 0.000 0.965 217 R CA -0.684 55.379 56.100 -0.061 0.000 0.867 217 R CB 1.220 31.507 30.300 -0.022 0.000 1.176 217 R HN 0.573 nan 8.270 nan 0.000 0.447 218 R N 2.798 123.161 120.500 -0.229 0.000 2.265 218 R HA 0.259 4.599 4.340 -0.000 0.000 0.314 218 R C -0.462 175.566 176.300 -0.453 0.000 1.053 218 R CA -0.489 55.341 56.100 -0.450 0.000 0.931 218 R CB 1.269 31.047 30.300 -0.870 0.000 1.024 218 R HN 0.651 nan 8.270 nan 0.000 0.457 219 T N 0.209 114.667 114.554 -0.161 0.000 2.907 219 T HA 0.591 4.941 4.350 -0.000 0.000 0.292 219 T C -0.511 174.434 174.700 0.407 0.000 1.043 219 T CA -1.024 61.146 62.100 0.117 0.000 1.003 219 T CB 1.791 70.707 68.868 0.082 0.000 1.084 219 T HN 0.536 nan 8.240 nan 0.000 0.483 220 L N 0.824 122.342 121.223 0.492 0.000 2.409 220 L HA 0.740 5.080 4.340 -0.000 0.000 0.272 220 L C -0.851 176.170 176.870 0.251 0.000 0.980 220 L CA -0.519 54.550 54.840 0.381 0.000 0.826 220 L CB 1.843 44.100 42.059 0.331 0.000 1.268 220 L HN 0.970 nan 8.230 nan 0.000 0.407 221 E N 5.010 125.288 120.200 0.131 0.000 2.222 221 E HA 0.432 4.782 4.350 -0.000 0.000 0.267 221 E C -1.316 175.294 176.600 0.016 0.000 0.884 221 E CA -0.756 55.690 56.400 0.076 0.000 0.764 221 E CB 1.915 31.633 29.700 0.029 0.000 1.169 221 E HN 0.679 nan 8.360 nan 0.000 0.413 222 I N 6.894 127.457 120.570 -0.011 0.000 2.282 222 I HA 0.068 4.238 4.170 -0.000 0.000 0.290 222 I C 1.266 177.254 176.117 -0.215 0.000 1.090 222 I CA -0.187 61.014 61.300 -0.164 0.000 1.231 222 I CB 0.722 38.542 38.000 -0.299 0.000 1.434 222 I HN 0.724 nan 8.210 nan 0.000 0.487 223 L N 6.324 127.450 121.223 -0.161 0.000 1.994 223 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 223 L C 0.925 177.711 176.870 -0.141 0.000 1.071 223 L CA 1.635 56.410 54.840 -0.109 0.000 0.745 223 L CB 0.067 42.069 42.059 -0.096 0.000 0.892 223 L HN 0.628 nan 8.230 nan 0.000 0.431 224 K N -1.525 118.741 120.400 -0.222 0.000 2.556 224 K HA 0.484 4.804 4.320 -0.000 0.000 0.274 224 K C -1.277 175.204 176.600 -0.199 0.000 0.966 224 K CA -0.755 55.435 56.287 -0.162 0.000 0.865 224 K CB 1.655 34.131 32.500 -0.041 0.000 1.444 224 K HN -0.086 nan 8.250 nan 0.000 0.433 225 L N 2.403 123.573 121.223 -0.089 0.000 2.448 225 L HA 0.355 4.695 4.340 -0.000 0.000 0.257 225 L C -0.528 176.359 176.870 0.027 0.000 1.504 225 L CA -0.753 54.064 54.840 -0.039 0.000 0.852 225 L CB 1.295 43.335 42.059 -0.031 0.000 1.051 225 L HN 0.619 nan 8.230 nan 0.000 0.518 226 R N 0.775 121.288 120.500 0.021 0.000 2.478 226 R HA 0.026 4.366 4.340 -0.000 0.000 0.281 226 R C 1.325 177.648 176.300 0.038 0.000 0.939 226 R CA 1.475 57.596 56.100 0.035 0.000 1.120 226 R CB 0.156 30.476 30.300 0.033 0.000 0.885 226 R HN 0.820 nan 8.270 nan 0.000 0.415 227 G N 1.250 110.075 108.800 0.041 0.000 2.284 227 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.230 227 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.230 227 G C 0.192 175.118 174.900 0.044 0.000 1.021 227 G CA 0.324 45.447 45.100 0.039 0.000 0.619 227 G HN 0.809 nan 8.290 nan 0.000 0.510 228 T N -1.634 112.953 114.554 0.055 0.000 2.654 228 T HA 0.775 5.125 4.350 -0.000 0.000 0.289 228 T C 0.215 174.950 174.700 0.059 0.000 1.062 228 T CA 0.527 62.661 62.100 0.057 0.000 1.041 228 T CB 1.453 70.359 68.868 0.065 0.000 1.417 228 T HN 1.436 nan 8.240 nan 0.000 0.510 229 S N -0.261 115.452 115.700 0.022 0.000 2.738 229 S HA 0.909 5.378 4.470 -0.000 0.000 0.284 229 S C -0.372 174.098 174.600 -0.216 0.000 1.146 229 S CA -0.389 57.747 58.200 -0.107 0.000 0.997 229 S CB 0.518 63.666 63.200 -0.086 0.000 1.081 229 S HN 1.504 nan 8.310 nan 0.000 0.553 230 H N -2.706 116.034 119.070 -0.550 0.000 2.848 230 H HA 0.475 5.031 4.556 -0.000 0.000 0.264 230 H C -1.606 173.429 175.328 -0.489 0.000 1.474 230 H CA -1.135 54.493 56.048 -0.700 0.000 1.149 230 H CB 0.273 29.851 29.762 -0.307 0.000 1.843 230 H HN 0.589 nan 8.280 nan 0.000 0.583 231 M N 1.019 120.592 119.600 -0.045 0.000 2.238 231 M HA 0.429 4.909 4.480 -0.000 0.000 0.350 231 M C -1.121 175.357 176.300 0.296 0.000 1.138 231 M CA -0.739 54.625 55.300 0.107 0.000 1.040 231 M CB 1.646 34.347 32.600 0.167 0.000 1.639 231 M HN 0.393 nan 8.290 nan 0.000 0.451 232 K N 1.691 122.184 120.400 0.156 0.000 2.159 232 K HA 0.850 5.170 4.320 -0.000 0.000 0.266 232 K C -0.039 176.593 176.600 0.053 0.000 0.975 232 K CA -0.134 56.237 56.287 0.139 0.000 0.865 232 K CB 1.695 34.212 32.500 0.028 0.000 1.087 232 K HN 0.876 nan 8.250 nan 0.000 0.446 233 G N 1.191 109.965 108.800 -0.044 0.000 2.381 233 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.672 233 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.672 233 G C -1.316 173.306 174.900 -0.463 0.000 1.324 233 G CA -1.051 43.892 45.100 -0.261 0.000 0.975 233 G HN 0.455 nan 8.290 nan 0.000 0.593 234 E N -0.823 119.120 120.200 -0.429 0.000 2.349 234 E HA 0.588 4.937 4.350 -0.000 0.000 0.262 234 E C -1.044 175.212 176.600 -0.574 0.000 1.088 234 E CA -0.131 56.094 56.400 -0.292 0.000 0.899 234 E CB 1.206 30.857 29.700 -0.082 0.000 1.044 234 E HN 0.443 nan 8.360 nan 0.000 0.420 235 Y N 0.231 120.625 120.300 0.157 0.000 2.479 235 Y HA 0.245 4.795 4.550 -0.000 0.000 0.338 235 Y C -2.335 173.716 175.900 0.252 0.000 1.055 235 Y CA -2.336 55.876 58.100 0.187 0.000 1.023 235 Y CB 2.394 40.961 38.460 0.178 0.000 1.287 235 Y HN 0.370 nan 8.280 nan 0.000 0.447 236 P HA 0.282 nan 4.420 nan 0.000 0.286 236 P C -1.242 176.338 177.300 0.467 0.000 1.269 236 P CA -0.061 63.209 63.100 0.284 0.000 0.787 236 P CB 0.874 32.702 31.700 0.213 0.000 0.920 237 F N -0.454 119.678 119.950 0.304 0.000 2.629 237 F HA 0.816 5.343 4.527 -0.000 0.000 0.316 237 F C -1.077 174.894 175.800 0.284 0.000 1.081 237 F CA -1.014 57.151 58.000 0.275 0.000 0.954 237 F CB 1.150 40.245 39.000 0.159 0.000 1.337 237 F HN 0.089 nan 8.300 nan 0.000 0.474 238 T N 2.381 117.235 114.554 0.500 0.000 2.881 238 T HA 0.531 4.881 4.350 -0.000 0.000 0.290 238 T C -0.551 174.367 174.700 0.365 0.000 1.000 238 T CA -0.395 61.907 62.100 0.337 0.000 0.978 238 T CB 1.566 70.640 68.868 0.343 0.000 0.997 238 T HN 0.620 nan 8.240 nan 0.000 0.443 239 I N 4.125 124.879 120.570 0.307 0.000 2.301 239 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 239 I C 1.280 177.549 176.117 0.252 0.000 1.046 239 I CA -0.178 61.307 61.300 0.309 0.000 1.282 239 I CB 0.690 38.884 38.000 0.324 0.000 1.409 239 I HN 0.841 nan 8.210 nan 0.000 0.484 240 T N 0.636 115.336 114.554 0.244 0.000 2.675 240 T HA 0.255 4.605 4.350 -0.000 0.000 0.241 240 T C 0.707 175.486 174.700 0.132 0.000 0.949 240 T CA -0.439 61.749 62.100 0.146 0.000 1.077 240 T CB 1.037 69.969 68.868 0.107 0.000 1.797 240 T HN 0.376 nan 8.240 nan 0.000 0.551 241 D N 0.115 120.448 120.400 -0.112 0.000 2.348 241 D HA 0.046 4.686 4.640 -0.000 0.000 0.211 241 D C 0.320 176.431 176.300 -0.315 0.000 0.998 241 D CA 0.626 54.449 54.000 -0.296 0.000 0.873 241 D CB 0.007 40.508 40.800 -0.498 0.000 0.925 241 D HN 0.485 nan 8.370 nan 0.000 0.524 242 H N -0.113 118.986 119.070 0.048 0.000 2.502 242 H HA 0.363 4.919 4.556 -0.000 0.000 0.268 242 H C 1.484 176.792 175.328 -0.033 0.000 1.177 242 H CA 0.073 56.093 56.048 -0.047 0.000 0.961 242 H CB 0.141 29.902 29.762 -0.001 0.000 1.737 242 H HN 0.035 nan 8.280 nan 0.000 0.569 243 G N 1.145 109.945 108.800 -0.001 0.000 2.581 243 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.291 243 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.291 243 G C 0.242 175.156 174.900 0.023 0.000 1.277 243 G CA -0.130 44.856 45.100 -0.191 0.000 0.959 243 G HN 0.414 nan 8.290 nan 0.000 0.554 244 I N 1.310 121.877 120.570 -0.004 0.000 2.618 244 I HA 0.233 4.403 4.170 -0.000 0.000 0.284 244 I C 0.439 176.581 176.117 0.041 0.000 1.146 244 I CA 0.384 61.711 61.300 0.045 0.000 1.425 244 I CB 0.786 38.732 38.000 -0.090 0.000 1.383 244 I HN 0.523 nan 8.210 nan 0.000 0.562 245 N N 6.667 125.422 118.700 0.092 0.000 2.519 245 N HA 0.492 5.232 4.740 -0.000 0.000 0.286 245 N C -1.240 174.132 175.510 -0.230 0.000 1.079 245 N CA -0.425 52.563 53.050 -0.104 0.000 0.878 245 N CB 1.032 39.453 38.487 -0.109 0.000 1.375 245 N HN 0.369 nan 8.380 nan 0.000 0.514 246 I N 2.756 123.166 120.570 -0.268 0.000 2.359 246 I HA 0.403 4.573 4.170 -0.000 0.000 0.294 246 I C -0.746 175.124 176.117 -0.411 0.000 0.987 246 I CA -0.691 60.528 61.300 -0.135 0.000 1.225 246 I CB 0.957 38.993 38.000 0.059 0.000 1.366 246 I HN 0.379 nan 8.210 nan 0.000 0.466 247 F N 6.191 126.231 119.950 0.151 0.000 2.311 247 F HA 0.386 4.913 4.527 -0.000 0.000 0.371 247 F C -2.138 173.690 175.800 0.047 0.000 1.083 247 F CA -2.463 55.581 58.000 0.074 0.000 1.113 247 F CB 0.610 39.644 39.000 0.058 0.000 1.349 247 F HN 0.248 nan 8.300 nan 0.000 0.470 248 P HA 0.130 nan 4.420 nan 0.000 0.249 248 P C 0.786 178.111 177.300 0.041 0.000 1.737 248 P CA 0.178 63.197 63.100 -0.136 0.000 1.128 248 P CB 0.084 31.649 31.700 -0.224 0.000 1.942 249 L N 0.169 121.494 121.223 0.170 0.000 2.642 249 L HA -0.036 4.303 4.340 -0.000 0.000 0.236 249 L C 1.895 178.842 176.870 0.128 0.000 1.169 249 L CA 1.161 56.087 54.840 0.144 0.000 0.851 249 L CB -0.500 41.646 42.059 0.145 0.000 0.968 249 L HN 0.370 nan 8.230 nan 0.000 0.453 250 G N -1.718 107.174 108.800 0.155 0.000 2.944 250 G HA2 0.219 4.179 3.960 -0.000 0.000 0.223 250 G HA3 0.219 4.179 3.960 -0.000 0.000 0.223 250 G C 1.445 176.392 174.900 0.079 0.000 1.071 250 G CA 0.601 45.788 45.100 0.145 0.000 0.806 250 G HN 0.315 nan 8.290 nan 0.000 0.538 251 A N 0.402 123.236 122.820 0.023 0.000 1.984 251 A HA 0.423 4.742 4.320 -0.000 0.000 0.214 251 A C 1.450 179.040 177.584 0.010 0.000 1.173 251 A CA 0.144 52.178 52.037 -0.004 0.000 0.673 251 A CB -0.287 18.674 19.000 -0.064 0.000 0.830 251 A HN 0.393 nan 8.150 nan 0.000 0.453 252 M N 1.150 120.766 119.600 0.026 0.000 2.235 252 M HA 0.014 4.494 4.480 -0.000 0.000 0.336 252 M C -0.146 176.168 176.300 0.024 0.000 1.146 252 M CA 0.643 55.964 55.300 0.035 0.000 1.018 252 M CB 0.296 32.927 32.600 0.053 0.000 1.694 252 M HN 0.346 nan 8.290 nan 0.000 0.451 253 R N 3.200 123.711 120.500 0.018 0.000 2.643 253 R HA 0.384 4.723 4.340 -0.000 0.000 0.272 253 R C -0.438 175.866 176.300 0.007 0.000 0.995 253 R CA -0.968 55.137 56.100 0.009 0.000 1.032 253 R CB 0.833 31.135 30.300 0.002 0.000 1.126 253 R HN 0.655 nan 8.270 nan 0.000 0.505 254 L N 1.793 123.018 121.223 0.002 0.000 2.873 254 L HA 0.157 4.497 4.340 -0.000 0.000 0.236 254 L C -0.443 176.424 176.870 -0.005 0.000 1.375 254 L CA 0.883 55.721 54.840 -0.003 0.000 1.239 254 L CB -0.315 41.741 42.059 -0.005 0.000 1.603 254 L HN 0.545 nan 8.230 nan 0.000 0.430 255 T N 0.387 114.939 114.554 -0.004 0.000 3.438 255 T HA 0.293 4.643 4.350 -0.000 0.000 0.244 255 T C -0.051 174.645 174.700 -0.007 0.000 1.269 255 T CA -0.501 61.596 62.100 -0.005 0.000 1.371 255 T CB -0.028 68.837 68.868 -0.004 0.000 1.002 255 T HN 0.250 nan 8.240 nan 0.000 0.637 256 Q N 1.399 121.194 119.800 -0.010 0.000 2.259 256 Q HA 0.401 4.741 4.340 -0.000 0.000 0.249 256 Q C 0.098 176.091 176.000 -0.013 0.000 0.914 256 Q CA -0.438 55.358 55.803 -0.012 0.000 0.904 256 Q CB 1.581 30.311 28.738 -0.013 0.000 1.213 256 Q HN 0.417 nan 8.270 nan 0.000 0.428 257 R N 0.744 121.238 120.500 -0.010 0.000 2.438 257 R HA 0.330 4.670 4.340 -0.000 0.000 0.287 257 R C -0.045 176.252 176.300 -0.005 0.000 1.077 257 R CA -0.020 56.077 56.100 -0.006 0.000 1.034 257 R CB 0.723 31.021 30.300 -0.002 0.000 0.993 257 R HN 0.485 nan 8.270 nan 0.000 0.459 258 S N 1.285 116.980 115.700 -0.008 0.000 2.594 258 S HA 0.420 4.890 4.470 -0.000 0.000 0.296 258 S C -0.607 173.994 174.600 0.001 0.000 1.124 258 S CA -0.625 57.565 58.200 -0.017 0.000 1.011 258 S CB 1.130 64.298 63.200 -0.053 0.000 1.016 258 S HN 0.663 nan 8.310 nan 0.000 0.485 259 S N 3.520 119.239 115.700 0.032 0.000 2.798 259 S HA 0.552 5.022 4.470 -0.000 0.000 0.312 259 S C -0.063 174.630 174.600 0.154 0.000 1.122 259 S CA -0.706 57.542 58.200 0.080 0.000 0.949 259 S CB 1.198 64.459 63.200 0.100 0.000 1.235 259 S HN 0.629 nan 8.310 nan 0.000 0.552 260 N N 0.124 118.949 118.700 0.208 0.000 2.275 260 N HA 0.294 5.034 4.740 -0.000 0.000 0.236 260 N C -0.667 175.022 175.510 0.298 0.000 1.154 260 N CA 0.029 53.284 53.050 0.340 0.000 0.866 260 N CB 0.545 39.161 38.487 0.215 0.000 1.093 260 N HN 0.384 nan 8.380 nan 0.000 0.515 261 V N 1.262 121.339 119.914 0.272 0.000 2.904 261 V HA 0.368 4.488 4.120 -0.000 0.000 0.305 261 V C 0.640 176.778 176.094 0.073 0.000 1.067 261 V CA -0.391 61.994 62.300 0.142 0.000 1.044 261 V CB 1.586 33.478 31.823 0.116 0.000 1.050 261 V HN 0.089 nan 8.190 nan 0.000 0.475 262 R N 1.605 122.091 120.500 -0.023 0.000 2.873 262 R HA 0.876 5.216 4.340 -0.000 0.000 0.264 262 R C -1.582 174.703 176.300 -0.025 0.000 1.026 262 R CA -0.587 55.458 56.100 -0.091 0.000 1.002 262 R CB 2.167 32.375 30.300 -0.153 0.000 1.174 262 R HN 0.503 nan 8.270 nan 0.000 0.488 263 V N -0.873 119.025 119.914 -0.026 0.000 3.048 263 V HA 0.323 4.443 4.120 -0.000 0.000 0.303 263 V C 0.230 176.244 176.094 -0.133 0.000 1.214 263 V CA -1.038 61.242 62.300 -0.035 0.000 0.984 263 V CB 1.779 33.625 31.823 0.039 0.000 1.054 263 V HN 0.836 nan 8.190 nan 0.000 0.430 264 S N 1.209 116.814 115.700 -0.158 0.000 2.633 264 S HA 0.411 4.881 4.470 -0.000 0.000 0.257 264 S C 1.237 175.644 174.600 -0.322 0.000 1.265 264 S CA 0.461 58.519 58.200 -0.236 0.000 0.980 264 S CB 1.158 64.264 63.200 -0.157 0.000 1.017 264 S HN 1.470 nan 8.310 nan 0.000 0.577 265 S N -1.052 114.457 115.700 -0.318 0.000 2.727 265 S HA 0.456 4.926 4.470 -0.000 0.000 0.249 265 S C 1.130 175.741 174.600 0.018 0.000 1.079 265 S CA 0.605 58.715 58.200 -0.151 0.000 0.912 265 S CB 0.599 63.552 63.200 -0.411 0.000 0.861 265 S HN 1.734 nan 8.310 nan 0.000 0.484 266 G N 0.438 109.198 108.800 -0.067 0.000 2.318 266 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.172 266 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.172 266 G C -0.261 174.601 174.900 -0.064 0.000 1.002 266 G CA -0.087 44.989 45.100 -0.039 0.000 0.697 266 G HN 0.930 nan 8.290 nan 0.000 0.483 267 V N 2.204 122.066 119.914 -0.086 0.000 2.398 267 V HA 0.368 4.488 4.120 -0.000 0.000 0.282 267 V C 1.571 177.610 176.094 -0.092 0.000 1.014 267 V CA -0.252 61.994 62.300 -0.090 0.000 0.838 267 V CB 1.245 33.008 31.823 -0.099 0.000 1.018 267 V HN 0.091 nan 8.190 nan 0.000 0.432 268 V N 3.879 123.749 119.914 -0.073 0.000 2.287 268 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 268 V C 2.532 178.602 176.094 -0.039 0.000 1.053 268 V CA 2.452 64.716 62.300 -0.060 0.000 1.027 268 V CB -0.648 31.149 31.823 -0.044 0.000 0.646 268 V HN 0.884 nan 8.190 nan 0.000 0.447 269 R N -0.056 120.428 120.500 -0.027 0.000 2.073 269 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 269 R C 2.239 178.547 176.300 0.014 0.000 1.134 269 R CA 1.552 57.653 56.100 0.001 0.000 0.952 269 R CB -0.699 29.603 30.300 0.003 0.000 0.850 269 R HN 0.473 nan 8.270 nan 0.000 0.433 270 L N 0.290 121.506 121.223 -0.011 0.000 2.043 270 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 270 L C 1.255 178.137 176.870 0.020 0.000 1.075 270 L CA 2.193 57.042 54.840 0.015 0.000 0.752 270 L CB -0.384 41.674 42.059 -0.001 0.000 0.891 270 L HN 0.331 nan 8.230 nan 0.000 0.432 271 D N -0.660 119.706 120.400 -0.058 0.000 2.178 271 D HA -0.212 4.427 4.640 -0.000 0.000 0.201 271 D C 2.036 178.349 176.300 0.022 0.000 0.980 271 D CA 1.226 55.175 54.000 -0.086 0.000 0.842 271 D CB 0.154 40.877 40.800 -0.129 0.000 0.948 271 D HN 0.436 nan 8.370 nan 0.000 0.472 272 E N -0.375 119.858 120.200 0.055 0.000 2.072 272 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 272 E C 2.005 178.755 176.600 0.250 0.000 0.982 272 E CA 0.598 57.072 56.400 0.123 0.000 0.803 272 E CB -0.003 29.752 29.700 0.092 0.000 0.755 272 E HN 0.296 nan 8.360 nan 0.000 0.453 273 M N 0.190 119.906 119.600 0.193 0.000 2.117 273 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 273 M C 2.275 178.651 176.300 0.126 0.000 1.065 273 M CA 1.072 56.480 55.300 0.180 0.000 1.114 273 M CB -0.108 32.559 32.600 0.112 0.000 1.361 273 M HN 0.198 nan 8.290 nan 0.000 0.408 274 C N 0.203 119.598 119.300 0.159 0.000 2.449 274 C HA 0.101 4.561 4.460 -0.000 0.000 0.283 274 C C 1.787 176.914 174.990 0.228 0.000 1.453 274 C CA 0.837 59.960 59.018 0.175 0.000 1.779 274 C CB -1.601 26.302 27.740 0.272 0.000 1.779 274 C HN 0.884 nan 8.230 nan 0.000 0.546 275 G N -1.194 107.810 108.800 0.341 0.000 2.168 275 G HA2 0.168 4.128 3.960 -0.000 0.000 0.197 275 G HA3 0.168 4.128 3.960 -0.000 0.000 0.197 275 G C 0.678 175.709 174.900 0.218 0.000 0.997 275 G CA 0.371 45.764 45.100 0.489 0.000 0.658 275 G HN 1.269 nan 8.290 nan 0.000 0.513 276 G N -1.801 107.067 108.800 0.114 0.000 2.813 276 G HA2 0.583 4.543 3.960 -0.000 0.000 0.194 276 G HA3 0.583 4.543 3.960 -0.000 0.000 0.194 276 G C 1.262 176.128 174.900 -0.057 0.000 1.010 276 G CA 1.237 46.344 45.100 0.011 0.000 0.771 276 G HN 2.647 nan 8.290 nan 0.000 0.485 277 G N -0.793 107.970 108.800 -0.063 0.000 2.345 277 G HA2 0.472 4.432 3.960 -0.000 0.000 0.310 277 G HA3 0.472 4.432 3.960 -0.000 0.000 0.310 277 G C -0.512 174.383 174.900 -0.008 0.000 1.476 277 G CA -0.583 44.441 45.100 -0.128 0.000 0.978 277 G HN 0.718 nan 8.290 nan 0.000 0.656 278 F N -0.017 119.933 119.950 -0.001 0.000 2.506 278 F HA 0.438 4.965 4.527 -0.000 0.000 0.351 278 F C 0.930 176.755 175.800 0.042 0.000 1.136 278 F CA -0.561 57.481 58.000 0.071 0.000 1.298 278 F CB 0.527 39.628 39.000 0.169 0.000 1.145 278 F HN 0.238 nan 8.300 nan 0.000 0.593 279 F N 2.016 122.133 119.950 0.279 0.000 2.459 279 F HA 0.090 4.617 4.527 -0.000 0.000 0.346 279 F C 1.547 177.460 175.800 0.188 0.000 1.128 279 F CA -0.263 57.845 58.000 0.180 0.000 1.268 279 F CB 0.695 39.772 39.000 0.128 0.000 1.161 279 F HN 0.472 nan 8.300 nan 0.000 0.583 280 K N 0.569 121.163 120.400 0.323 0.000 2.097 280 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 280 K C -0.127 176.606 176.600 0.222 0.000 1.049 280 K CA 1.394 57.820 56.287 0.233 0.000 0.933 280 K CB -0.018 32.575 32.500 0.155 0.000 0.717 280 K HN 0.508 nan 8.250 nan 0.000 0.442 281 D N 1.436 121.969 120.400 0.221 0.000 2.500 281 D HA 0.152 4.792 4.640 -0.000 0.000 0.219 281 D C -1.021 175.349 176.300 0.118 0.000 1.137 281 D CA 0.115 54.198 54.000 0.138 0.000 0.946 281 D CB 0.944 41.793 40.800 0.083 0.000 1.022 281 D HN 0.367 nan 8.370 nan 0.000 0.518 282 S N 1.057 116.838 115.700 0.135 0.000 2.663 282 S HA 0.466 4.936 4.470 -0.000 0.000 0.264 282 S C -1.467 173.204 174.600 0.119 0.000 1.112 282 S CA -1.005 57.255 58.200 0.099 0.000 0.823 282 S CB 0.960 64.238 63.200 0.130 0.000 1.111 282 S HN 0.031 nan 8.310 nan 0.000 0.476 283 I N 1.613 122.227 120.570 0.073 0.000 2.474 283 I HA 0.551 4.721 4.170 -0.000 0.000 0.294 283 I C -0.890 175.241 176.117 0.023 0.000 1.005 283 I CA -0.964 60.402 61.300 0.110 0.000 1.113 283 I CB 1.597 39.605 38.000 0.014 0.000 1.289 283 I HN 0.658 nan 8.210 nan 0.000 0.436 284 I N 6.396 126.977 120.570 0.019 0.000 2.465 284 I HA 0.420 4.590 4.170 -0.000 0.000 0.291 284 I C -0.510 175.569 176.117 -0.064 0.000 1.014 284 I CA -0.882 60.313 61.300 -0.176 0.000 1.093 284 I CB 2.003 39.690 38.000 -0.522 0.000 1.267 284 I HN 0.265 nan 8.210 nan 0.000 0.431 285 L N 5.365 126.532 121.223 -0.093 0.000 2.334 285 L HA 0.839 5.179 4.340 -0.000 0.000 0.276 285 L C -0.295 176.531 176.870 -0.074 0.000 1.014 285 L CA -0.319 54.502 54.840 -0.033 0.000 0.815 285 L CB 1.708 43.745 42.059 -0.036 0.000 1.268 285 L HN 0.733 nan 8.230 nan 0.000 0.428 286 A N 3.118 125.913 122.820 -0.041 0.000 2.409 286 A HA 0.721 5.041 4.320 -0.000 0.000 0.300 286 A C -0.385 177.184 177.584 -0.025 0.000 1.273 286 A CA -0.388 51.620 52.037 -0.048 0.000 0.774 286 A CB 0.311 19.276 19.000 -0.059 0.000 1.144 286 A HN 0.726 nan 8.150 nan 0.000 0.472 287 T N 0.002 114.534 114.554 -0.036 0.000 2.948 287 T HA 0.941 5.291 4.350 -0.000 0.000 0.285 287 T C 0.359 175.040 174.700 -0.033 0.000 1.019 287 T CA -0.296 61.781 62.100 -0.037 0.000 1.013 287 T CB 1.889 70.717 68.868 -0.068 0.000 1.117 287 T HN 2.008 nan 8.240 nan 0.000 0.533 288 G N -0.805 107.977 108.800 -0.031 0.000 2.345 288 G HA2 0.545 4.505 3.960 -0.000 0.000 0.310 288 G HA3 0.545 4.505 3.960 -0.000 0.000 0.310 288 G C -0.673 174.223 174.900 -0.006 0.000 1.476 288 G CA -0.487 44.591 45.100 -0.037 0.000 0.978 288 G HN 0.910 nan 8.290 nan 0.000 0.656 289 A N -0.075 122.754 122.820 0.016 0.000 2.387 289 A HA 0.733 5.053 4.320 -0.000 0.000 0.251 289 A C 1.251 178.918 177.584 0.139 0.000 1.113 289 A CA 1.090 53.214 52.037 0.146 0.000 0.794 289 A CB 0.092 19.320 19.000 0.378 0.000 1.069 289 A HN 2.197 nan 8.150 nan 0.000 0.506 290 T N -1.056 113.620 114.554 0.203 0.000 2.916 290 T HA 0.438 4.788 4.350 -0.000 0.000 0.303 290 T C 1.360 176.202 174.700 0.237 0.000 1.025 290 T CA 1.447 63.647 62.100 0.167 0.000 1.142 290 T CB -0.066 68.886 68.868 0.140 0.000 0.947 290 T HN 2.356 nan 8.240 nan 0.000 0.544 291 G N 3.245 112.156 108.800 0.184 0.000 2.225 291 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.254 291 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.254 291 G C 1.225 176.212 174.900 0.145 0.000 0.988 291 G CA 1.110 46.350 45.100 0.234 0.000 0.625 291 G HN 1.287 nan 8.290 nan 0.000 0.527 292 T N -1.810 112.696 114.554 -0.080 0.000 2.759 292 T HA 0.302 4.652 4.350 -0.000 0.000 0.269 292 T C 2.379 177.100 174.700 0.035 0.000 1.042 292 T CA 2.205 64.137 62.100 -0.280 0.000 1.140 292 T CB -0.208 68.485 68.868 -0.292 0.000 0.864 292 T HN 2.328 nan 8.240 nan 0.000 0.455 293 G N 0.577 109.420 108.800 0.072 0.000 2.188 293 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.112 293 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.112 293 G C 0.458 175.352 174.900 -0.010 0.000 1.048 293 G CA 0.110 45.254 45.100 0.073 0.000 0.720 293 G HN 0.446 nan 8.290 nan 0.000 0.487 294 K N 0.063 120.471 120.400 0.014 0.000 2.057 294 K HA 0.069 4.389 4.320 -0.000 0.000 0.206 294 K C 2.534 179.128 176.600 -0.010 0.000 1.050 294 K CA 1.895 58.176 56.287 -0.009 0.000 0.935 294 K CB -0.501 32.006 32.500 0.011 0.000 0.715 294 K HN 0.255 nan 8.250 nan 0.000 0.439 295 T N 1.632 116.214 114.554 0.046 0.000 2.778 295 T HA -0.151 4.198 4.350 -0.000 0.000 0.269 295 T C 1.554 176.256 174.700 0.002 0.000 1.050 295 T CA 1.194 63.353 62.100 0.098 0.000 1.137 295 T CB -0.237 68.758 68.868 0.211 0.000 0.860 295 T HN 0.051 nan 8.240 nan 0.000 0.468 296 L N 0.969 122.054 121.223 -0.229 0.000 1.973 296 L HA 0.128 4.468 4.340 -0.000 0.000 0.208 296 L C 2.186 178.866 176.870 -0.316 0.000 1.073 296 L CA 1.549 56.003 54.840 -0.644 0.000 0.746 296 L CB -0.873 40.636 42.059 -0.916 0.000 0.891 296 L HN 0.211 nan 8.230 nan 0.000 0.433 297 L N -1.177 119.910 121.223 -0.227 0.000 2.270 297 L HA -0.264 4.076 4.340 -0.000 0.000 0.217 297 L C 2.354 179.228 176.870 0.006 0.000 1.107 297 L CA 0.898 55.670 54.840 -0.113 0.000 0.772 297 L CB -0.546 41.453 42.059 -0.100 0.000 0.902 297 L HN 0.222 nan 8.230 nan 0.000 0.439 298 V N -1.708 118.216 119.914 0.017 0.000 2.446 298 V HA -0.190 3.930 4.120 -0.000 0.000 0.244 298 V C 2.443 178.685 176.094 0.247 0.000 1.039 298 V CA 1.678 64.044 62.300 0.110 0.000 1.045 298 V CB 0.401 32.281 31.823 0.096 0.000 0.681 298 V HN 0.344 nan 8.190 nan 0.000 0.459 299 S N -0.171 115.654 115.700 0.207 0.000 2.348 299 S HA -0.218 4.252 4.470 -0.000 0.000 0.221 299 S C 2.069 176.826 174.600 0.262 0.000 1.033 299 S CA 1.580 59.986 58.200 0.343 0.000 1.010 299 S CB -0.367 62.972 63.200 0.232 0.000 0.891 299 S HN 0.393 nan 8.310 nan 0.000 0.442 300 R N 0.265 120.824 120.500 0.098 0.000 2.355 300 R HA 0.027 4.367 4.340 -0.000 0.000 0.219 300 R C 1.487 177.883 176.300 0.159 0.000 1.107 300 R CA 0.669 56.810 56.100 0.069 0.000 1.021 300 R CB -0.482 29.791 30.300 -0.046 0.000 0.852 300 R HN 0.483 nan 8.270 nan 0.000 0.475 301 F N -1.649 118.339 119.950 0.064 0.000 2.222 301 F HA 0.044 4.571 4.527 -0.000 0.000 0.285 301 F C 1.812 177.665 175.800 0.088 0.000 1.068 301 F CA 0.685 58.734 58.000 0.081 0.000 1.265 301 F CB -0.602 38.471 39.000 0.123 0.000 1.087 301 F HN -0.205 nan 8.300 nan 0.000 0.511 302 V N 1.269 121.315 119.914 0.220 0.000 2.370 302 V HA -0.322 3.798 4.120 -0.000 0.000 0.252 302 V C 2.525 178.629 176.094 0.017 0.000 1.068 302 V CA 2.504 64.846 62.300 0.069 0.000 1.061 302 V CB -0.619 31.280 31.823 0.126 0.000 0.656 302 V HN 0.514 nan 8.190 nan 0.000 0.455 303 E N 0.058 120.333 120.200 0.125 0.000 2.076 303 E HA -0.216 4.133 4.350 -0.000 0.000 0.190 303 E C 2.113 178.720 176.600 0.011 0.000 0.979 303 E CA 1.040 57.509 56.400 0.115 0.000 0.807 303 E CB -0.376 29.441 29.700 0.195 0.000 0.761 303 E HN 0.669 nan 8.360 nan 0.000 0.454 304 N N 0.868 119.545 118.700 -0.037 0.000 2.364 304 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 304 N C 1.246 176.686 175.510 -0.116 0.000 1.022 304 N CA 1.101 54.103 53.050 -0.078 0.000 0.883 304 N CB -0.020 38.405 38.487 -0.104 0.000 0.965 304 N HN 0.156 nan 8.380 nan 0.000 0.438 305 A N -0.814 121.909 122.820 -0.162 0.000 2.251 305 A HA 0.149 4.469 4.320 -0.000 0.000 0.209 305 A C 1.641 179.177 177.584 -0.080 0.000 1.187 305 A CA -0.033 51.910 52.037 -0.157 0.000 0.823 305 A CB -0.259 18.598 19.000 -0.238 0.000 0.846 305 A HN 0.507 nan 8.150 nan 0.000 0.486 306 C N -2.062 117.210 119.300 -0.046 0.000 3.491 306 C HA 0.530 4.990 4.460 -0.000 0.000 0.298 306 C C 2.058 177.044 174.990 -0.007 0.000 1.424 306 C CA 0.207 59.218 59.018 -0.013 0.000 1.772 306 C CB -0.227 27.523 27.740 0.016 0.000 2.447 306 C HN 0.674 nan 8.230 nan 0.000 0.670 307 A N 0.279 123.087 122.820 -0.020 0.000 2.431 307 A HA 0.253 4.573 4.320 -0.000 0.000 0.239 307 A C 1.015 178.582 177.584 -0.027 0.000 1.230 307 A CA 0.422 52.449 52.037 -0.016 0.000 0.928 307 A CB -0.123 18.868 19.000 -0.016 0.000 1.006 307 A HN 0.502 nan 8.150 nan 0.000 0.520 308 N N 0.480 119.157 118.700 -0.037 0.000 2.241 308 N HA 0.097 4.837 4.740 -0.000 0.000 0.238 308 N C -0.988 174.499 175.510 -0.039 0.000 1.244 308 N CA -0.046 52.979 53.050 -0.041 0.000 0.880 308 N CB 0.379 38.834 38.487 -0.053 0.000 1.179 308 N HN 0.321 nan 8.380 nan 0.000 0.513 309 K N 1.570 121.950 120.400 -0.033 0.000 4.838 309 K HA -0.215 4.105 4.320 -0.000 0.000 0.300 309 K C -0.802 175.770 176.600 -0.047 0.000 0.861 309 K CA 0.924 57.191 56.287 -0.034 0.000 0.929 309 K CB -0.886 31.597 32.500 -0.028 0.000 1.772 309 K HN 0.417 nan 8.250 nan 0.000 0.422 310 E N 0.654 120.822 120.200 -0.053 0.000 2.433 310 E HA 0.378 4.728 4.350 -0.000 0.000 0.278 310 E C -0.784 175.777 176.600 -0.064 0.000 0.976 310 E CA -1.199 55.161 56.400 -0.067 0.000 0.793 310 E CB 1.898 31.560 29.700 -0.064 0.000 1.311 310 E HN 0.189 nan 8.360 nan 0.000 0.460 311 R N 0.538 120.982 120.500 -0.093 0.000 2.407 311 R HA 0.746 5.086 4.340 -0.000 0.000 0.303 311 R C -0.938 175.422 176.300 0.101 0.000 0.981 311 R CA -0.529 55.542 56.100 -0.049 0.000 0.905 311 R CB 1.616 31.631 30.300 -0.474 0.000 1.099 311 R HN 0.456 nan 8.270 nan 0.000 0.459 312 A N 3.809 126.762 122.820 0.220 0.000 2.449 312 A HA 0.607 4.927 4.320 -0.000 0.000 0.302 312 A C -0.763 176.886 177.584 0.108 0.000 1.048 312 A CA -0.736 51.386 52.037 0.141 0.000 0.708 312 A CB 1.229 20.233 19.000 0.007 0.000 1.274 312 A HN 0.648 nan 8.150 nan 0.000 0.410 313 I N 2.191 122.799 120.570 0.064 0.000 2.378 313 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 313 I C -1.051 174.936 176.117 -0.218 0.000 0.992 313 I CA -0.785 60.399 61.300 -0.194 0.000 1.154 313 I CB 1.782 39.618 38.000 -0.272 0.000 1.315 313 I HN 0.552 nan 8.210 nan 0.000 0.448 314 L N 7.829 128.834 121.223 -0.363 0.000 2.280 314 L HA 0.511 4.851 4.340 -0.000 0.000 0.287 314 L C -1.333 175.335 176.870 -0.338 0.000 1.023 314 L CA 0.013 54.735 54.840 -0.197 0.000 0.819 314 L CB 0.598 42.570 42.059 -0.145 0.000 1.212 314 L HN 0.224 nan 8.230 nan 0.000 0.420 315 F N 5.220 125.183 119.950 0.021 0.000 2.313 315 F HA 0.667 5.194 4.527 -0.000 0.000 0.369 315 F C 0.705 176.544 175.800 0.065 0.000 1.109 315 F CA -0.414 57.612 58.000 0.043 0.000 1.132 315 F CB 0.971 40.133 39.000 0.269 0.000 1.291 315 F HN 0.640 nan 8.300 nan 0.000 0.496 316 A N 3.250 126.052 122.820 -0.031 0.000 2.288 316 A HA 0.613 4.933 4.320 -0.000 0.000 0.320 316 A C -0.967 176.476 177.584 -0.234 0.000 1.217 316 A CA -0.372 51.660 52.037 -0.007 0.000 0.840 316 A CB 0.237 19.218 19.000 -0.033 0.000 1.179 316 A HN 0.747 nan 8.150 nan 0.000 0.504 317 Y N 0.473 120.772 120.300 -0.002 0.000 2.588 317 Y HA 0.214 4.764 4.550 -0.000 0.000 0.247 317 Y C 1.223 177.103 175.900 -0.033 0.000 1.157 317 Y CA -0.071 58.004 58.100 -0.041 0.000 1.215 317 Y CB 0.635 39.072 38.460 -0.038 0.000 1.245 317 Y HN 0.812 nan 8.280 nan 0.000 0.534 318 E N -0.336 119.919 120.200 0.091 0.000 2.406 318 E HA 0.123 4.473 4.350 -0.000 0.000 0.204 318 E C 0.005 176.624 176.600 0.032 0.000 0.820 318 E CA 0.061 56.513 56.400 0.087 0.000 1.136 318 E CB 0.665 30.429 29.700 0.108 0.000 1.129 318 E HN 0.306 nan 8.360 nan 0.000 0.530 319 E N 1.417 121.625 120.200 0.013 0.000 2.250 319 E HA 0.341 4.691 4.350 -0.000 0.000 0.269 319 E C -0.559 176.003 176.600 -0.065 0.000 1.018 319 E CA -0.393 56.008 56.400 0.001 0.000 0.873 319 E CB 1.854 31.581 29.700 0.046 0.000 1.134 319 E HN -0.084 nan 8.360 nan 0.000 0.403 320 S N 0.221 115.893 115.700 -0.047 0.000 2.652 320 S HA 0.115 4.585 4.470 -0.000 0.000 0.270 320 S C 1.085 175.661 174.600 -0.040 0.000 1.243 320 S CA -0.526 57.633 58.200 -0.069 0.000 0.999 320 S CB 0.789 63.966 63.200 -0.038 0.000 0.973 320 S HN 0.524 nan 8.310 nan 0.000 0.544 321 R N 1.915 122.383 120.500 -0.053 0.000 2.096 321 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 321 R C 2.318 178.622 176.300 0.007 0.000 1.127 321 R CA 1.431 57.513 56.100 -0.030 0.000 0.968 321 R CB -0.953 29.313 30.300 -0.056 0.000 0.861 321 R HN 0.685 nan 8.270 nan 0.000 0.440 322 A N 1.151 123.966 122.820 -0.008 0.000 2.014 322 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 322 A C 2.057 179.638 177.584 -0.005 0.000 1.163 322 A CA 0.903 52.936 52.037 -0.006 0.000 0.652 322 A CB -0.246 18.743 19.000 -0.019 0.000 0.808 322 A HN 0.336 nan 8.150 nan 0.000 0.449 323 Q N -0.781 119.017 119.800 -0.003 0.000 2.398 323 Q HA 0.171 4.511 4.340 -0.000 0.000 0.204 323 Q C 1.563 177.567 176.000 0.006 0.000 0.932 323 Q CA 0.197 55.992 55.803 -0.012 0.000 0.916 323 Q CB -0.010 28.723 28.738 -0.009 0.000 1.024 323 Q HN 0.668 nan 8.270 nan 0.000 0.504 324 L N 0.173 121.430 121.223 0.057 0.000 2.395 324 L HA -0.084 4.256 4.340 -0.000 0.000 0.218 324 L C 1.743 178.715 176.870 0.170 0.000 1.130 324 L CA 0.397 55.323 54.840 0.143 0.000 0.826 324 L CB 0.108 42.281 42.059 0.190 0.000 0.941 324 L HN 0.261 nan 8.230 nan 0.000 0.451 325 L N -1.243 120.048 121.223 0.112 0.000 2.189 325 L HA -0.009 4.331 4.340 -0.000 0.000 0.199 325 L C 2.666 179.529 176.870 -0.012 0.000 1.074 325 L CA 0.595 55.490 54.840 0.091 0.000 0.783 325 L CB -0.394 41.727 42.059 0.103 0.000 0.955 325 L HN 0.085 nan 8.230 nan 0.000 0.460 326 R N 0.601 121.076 120.500 -0.043 0.000 2.113 326 R HA -0.225 4.115 4.340 -0.000 0.000 0.244 326 R C 1.812 178.028 176.300 -0.139 0.000 1.142 326 R CA 2.266 58.318 56.100 -0.080 0.000 0.953 326 R CB -0.294 29.954 30.300 -0.087 0.000 0.860 326 R HN 0.423 nan 8.270 nan 0.000 0.438 327 N N 0.148 118.711 118.700 -0.227 0.000 2.331 327 N HA -0.083 4.657 4.740 -0.000 0.000 0.180 327 N C 1.483 176.647 175.510 -0.576 0.000 1.019 327 N CA 1.157 53.896 53.050 -0.519 0.000 0.881 327 N CB -0.162 37.990 38.487 -0.559 0.000 0.972 327 N HN 0.339 nan 8.380 nan 0.000 0.435 328 A N 0.218 122.885 122.820 -0.255 0.000 1.898 328 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 328 A C 2.080 179.584 177.584 -0.132 0.000 1.183 328 A CA 0.641 52.536 52.037 -0.237 0.000 0.622 328 A CB -0.758 17.798 19.000 -0.740 0.000 0.824 328 A HN 0.268 nan 8.150 nan 0.000 0.444 329 Y N 1.245 121.423 120.300 -0.204 0.000 2.163 329 Y HA -0.139 4.411 4.550 -0.000 0.000 0.288 329 Y C 2.562 178.397 175.900 -0.108 0.000 1.136 329 Y CA 1.800 59.827 58.100 -0.121 0.000 1.147 329 Y CB -0.219 38.185 38.460 -0.093 0.000 0.987 329 Y HN 0.292 nan 8.280 nan 0.000 0.509 330 S N -0.837 114.836 115.700 -0.046 0.000 2.584 330 S HA -0.161 4.309 4.470 -0.000 0.000 0.240 330 S C 0.868 175.374 174.600 -0.157 0.000 0.975 330 S CA 0.716 58.825 58.200 -0.152 0.000 0.949 330 S CB -0.392 62.647 63.200 -0.268 0.000 0.761 330 S HN 0.558 nan 8.310 nan 0.000 0.536 331 W N 0.578 121.823 121.300 -0.093 0.000 3.008 331 W HA 0.426 5.086 4.660 -0.000 0.000 0.355 331 W C 1.360 177.802 176.519 -0.128 0.000 1.095 331 W CA 0.257 57.547 57.345 -0.092 0.000 1.738 331 W CB -0.259 29.147 29.460 -0.091 0.000 1.091 331 W HN 0.404 nan 8.180 nan 0.000 0.574 332 G N 1.479 110.279 108.800 -0.001 0.000 2.591 332 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.226 332 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.226 332 G C 0.350 175.146 174.900 -0.174 0.000 1.598 332 G CA -0.245 44.784 45.100 -0.118 0.000 1.349 332 G HN 0.051 nan 8.290 nan 0.000 0.493 333 M N 1.259 120.807 119.600 -0.086 0.000 2.148 333 M HA 0.075 4.555 4.480 -0.000 0.000 0.488 333 M C -0.616 175.641 176.300 -0.071 0.000 1.231 333 M CA 1.272 56.534 55.300 -0.063 0.000 0.645 333 M CB -0.188 32.395 32.600 -0.028 0.000 1.923 333 M HN 0.432 nan 8.290 nan 0.000 0.561 334 D N 3.945 124.368 120.400 0.038 0.000 2.411 334 D HA 0.259 4.899 4.640 -0.000 0.000 0.225 334 D C 0.047 176.522 176.300 0.293 0.000 1.156 334 D CA -0.155 53.943 54.000 0.164 0.000 0.874 334 D CB 0.232 41.126 40.800 0.156 0.000 1.034 334 D HN 0.719 nan 8.370 nan 0.000 0.502 335 F N 1.455 121.478 119.950 0.121 0.000 2.259 335 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 335 F C 2.279 178.113 175.800 0.057 0.000 1.088 335 F CA -0.018 58.028 58.000 0.077 0.000 1.358 335 F CB 0.512 39.555 39.000 0.071 0.000 1.040 335 F HN 0.366 nan 8.300 nan 0.000 0.505 336 E N 0.711 121.069 120.200 0.263 0.000 2.114 336 E HA -0.289 4.061 4.350 -0.000 0.000 0.199 336 E C 1.813 178.478 176.600 0.108 0.000 1.008 336 E CA 1.563 58.048 56.400 0.142 0.000 0.810 336 E CB -0.242 29.522 29.700 0.106 0.000 0.739 336 E HN 0.367 nan 8.360 nan 0.000 0.456 337 E N -0.243 120.034 120.200 0.127 0.000 2.152 337 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 337 E C 1.978 178.625 176.600 0.079 0.000 0.983 337 E CA 0.684 57.139 56.400 0.092 0.000 0.818 337 E CB 0.006 29.761 29.700 0.093 0.000 0.758 337 E HN 0.109 nan 8.360 nan 0.000 0.467 338 M N 0.397 120.056 119.600 0.099 0.000 2.117 338 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 338 M C 1.892 178.205 176.300 0.023 0.000 1.065 338 M CA 1.521 56.856 55.300 0.058 0.000 1.114 338 M CB -0.941 31.685 32.600 0.042 0.000 1.361 338 M HN 0.190 nan 8.290 nan 0.000 0.408 339 E N 0.362 120.567 120.200 0.008 0.000 2.017 339 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 339 E C 2.167 178.776 176.600 0.016 0.000 0.997 339 E CA 1.203 57.594 56.400 -0.015 0.000 0.804 339 E CB -0.246 29.439 29.700 -0.024 0.000 0.757 339 E HN 0.525 nan 8.360 nan 0.000 0.448 340 R N 1.097 121.612 120.500 0.025 0.000 2.094 340 R HA -0.185 4.154 4.340 -0.000 0.000 0.239 340 R C 2.212 178.533 176.300 0.034 0.000 1.137 340 R CA 1.493 57.610 56.100 0.027 0.000 0.943 340 R CB -0.397 29.920 30.300 0.029 0.000 0.850 340 R HN 0.237 nan 8.270 nan 0.000 0.433 341 Q N 0.915 120.737 119.800 0.038 0.000 2.547 341 Q HA -0.058 4.282 4.340 -0.000 0.000 0.217 341 Q C -0.328 175.700 176.000 0.047 0.000 0.978 341 Q CA -0.026 55.798 55.803 0.036 0.000 0.962 341 Q CB -0.319 28.439 28.738 0.033 0.000 0.990 341 Q HN 0.282 nan 8.270 nan 0.000 0.538 342 N N -0.175 118.568 118.700 0.071 0.000 2.702 342 N HA -0.214 4.526 4.740 -0.000 0.000 0.255 342 N C -0.218 175.393 175.510 0.167 0.000 0.983 342 N CA 0.447 53.579 53.050 0.136 0.000 0.768 342 N CB -0.630 37.923 38.487 0.111 0.000 0.918 342 N HN 0.347 nan 8.380 nan 0.000 0.540 343 L N -1.844 119.478 121.223 0.166 0.000 2.749 343 L HA 0.283 4.623 4.340 -0.000 0.000 0.242 343 L C 0.228 177.259 176.870 0.269 0.000 1.103 343 L CA -0.007 54.917 54.840 0.139 0.000 0.906 343 L CB 0.300 42.386 42.059 0.044 0.000 1.228 343 L HN 0.243 nan 8.230 nan 0.000 0.517 344 L N 0.934 122.275 121.223 0.198 0.000 2.401 344 L HA 0.515 4.855 4.340 -0.000 0.000 0.266 344 L C -1.464 175.275 176.870 -0.217 0.000 0.991 344 L CA -0.203 54.640 54.840 0.005 0.000 0.818 344 L CB 2.083 44.058 42.059 -0.141 0.000 1.321 344 L HN 0.001 nan 8.230 nan 0.000 0.413 345 K N 5.487 125.602 120.400 -0.475 0.000 2.613 345 K HA 0.539 4.859 4.320 -0.000 0.000 0.248 345 K C -1.461 174.828 176.600 -0.519 0.000 0.959 345 K CA -0.522 55.397 56.287 -0.614 0.000 0.855 345 K CB 1.496 33.326 32.500 -1.116 0.000 1.143 345 K HN 0.638 nan 8.250 nan 0.000 0.437 346 I N 4.764 125.092 120.570 -0.403 0.000 2.331 346 I HA 0.131 4.301 4.170 -0.000 0.000 0.292 346 I C 1.081 177.001 176.117 -0.328 0.000 0.998 346 I CA -0.642 60.441 61.300 -0.362 0.000 1.267 346 I CB 1.600 39.436 38.000 -0.274 0.000 1.386 346 I HN 0.395 nan 8.210 nan 0.000 0.476 347 V N 3.561 123.253 119.914 -0.370 0.000 2.403 347 V HA 0.018 4.138 4.120 -0.000 0.000 0.228 347 V C 0.445 176.388 176.094 -0.250 0.000 1.082 347 V CA 0.188 62.310 62.300 -0.297 0.000 1.073 347 V CB -0.194 31.450 31.823 -0.298 0.000 0.696 347 V HN 0.987 nan 8.190 nan 0.000 0.485 348 C N 0.363 119.474 119.300 -0.315 0.000 0.326 348 C HA 0.323 4.783 4.460 -0.000 0.000 0.051 348 C C -0.015 174.767 174.990 -0.348 0.000 0.198 348 C CA -0.632 58.181 59.018 -0.342 0.000 0.847 348 C CB -2.131 25.465 27.740 -0.238 0.000 3.166 348 C HN 1.430 nan 8.230 nan 0.000 1.095 349 A N 4.190 126.734 122.820 -0.461 0.000 2.580 349 A HA 0.614 4.933 4.320 -0.000 0.000 0.301 349 A C -1.032 176.480 177.584 -0.119 0.000 1.054 349 A CA -0.649 51.239 52.037 -0.248 0.000 0.751 349 A CB 0.455 19.417 19.000 -0.064 0.000 1.275 349 A HN 1.136 nan 8.150 nan 0.000 0.403 350 Y N 1.827 122.193 120.300 0.109 0.000 2.497 350 Y HA 0.245 4.795 4.550 -0.000 0.000 0.334 350 Y C -1.352 174.728 175.900 0.301 0.000 1.199 350 Y CA -0.706 57.497 58.100 0.172 0.000 1.425 350 Y CB 0.559 39.084 38.460 0.108 0.000 1.291 350 Y HN 0.537 nan 8.280 nan 0.000 0.562 351 P HA -0.137 nan 4.420 nan 0.000 0.222 351 P C 0.288 177.788 177.300 0.333 0.000 1.147 351 P CA 1.353 64.641 63.100 0.313 0.000 0.790 351 P CB 0.298 32.051 31.700 0.090 0.000 0.780 352 E N -1.397 118.955 120.200 0.254 0.000 2.479 352 E HA 0.001 4.351 4.350 -0.000 0.000 0.193 352 E C 1.526 178.212 176.600 0.143 0.000 1.049 352 E CA 0.253 56.742 56.400 0.147 0.000 0.870 352 E CB -0.680 29.058 29.700 0.063 0.000 0.944 352 E HN 0.230 nan 8.360 nan 0.000 0.492 353 S N -0.675 115.163 115.700 0.230 0.000 2.607 353 S HA 0.436 4.906 4.470 -0.000 0.000 0.224 353 S C 0.808 175.439 174.600 0.051 0.000 0.969 353 S CA 0.174 58.473 58.200 0.165 0.000 0.927 353 S CB 0.082 63.427 63.200 0.241 0.000 0.772 353 S HN 0.178 nan 8.310 nan 0.000 0.533 354 A N -0.563 122.255 122.820 -0.002 0.000 2.428 354 A HA 0.722 5.042 4.320 -0.000 0.000 0.304 354 A C -0.175 177.340 177.584 -0.115 0.000 1.085 354 A CA -0.496 51.446 52.037 -0.159 0.000 0.605 354 A CB -0.072 18.671 19.000 -0.428 0.000 1.393 354 A HN 0.762 nan 8.150 nan 0.000 0.541 355 G N -1.367 107.360 108.800 -0.123 0.000 2.509 355 G HA2 0.548 4.508 3.960 -0.000 0.000 0.328 355 G HA3 0.548 4.508 3.960 -0.000 0.000 0.328 355 G C 0.370 175.300 174.900 0.050 0.000 1.194 355 G CA -0.480 44.614 45.100 -0.009 0.000 0.967 355 G HN 0.659 nan 8.290 nan 0.000 0.488 356 L N 0.295 121.599 121.223 0.137 0.000 1.989 356 L HA -0.099 4.240 4.340 -0.000 0.000 0.211 356 L C 3.039 180.067 176.870 0.263 0.000 1.071 356 L CA 2.486 57.483 54.840 0.262 0.000 0.749 356 L CB -0.735 41.458 42.059 0.222 0.000 0.890 356 L HN 0.897 nan 8.230 nan 0.000 0.431 357 E N -0.974 119.291 120.200 0.109 0.000 2.136 357 E HA -0.295 4.055 4.350 -0.000 0.000 0.202 357 E C 1.504 178.059 176.600 -0.075 0.000 1.019 357 E CA 1.799 58.193 56.400 -0.009 0.000 0.819 357 E CB -0.641 29.076 29.700 0.027 0.000 0.739 357 E HN 0.534 nan 8.360 nan 0.000 0.458 358 D N 0.506 120.902 120.400 -0.007 0.000 2.084 358 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 358 D C 2.067 178.382 176.300 0.026 0.000 0.985 358 D CA 1.237 55.225 54.000 -0.020 0.000 0.826 358 D CB -0.494 40.259 40.800 -0.079 0.000 0.978 358 D HN 0.324 nan 8.370 nan 0.000 0.456 359 H N 1.005 120.168 119.070 0.154 0.000 2.353 359 H HA -0.090 4.466 4.556 -0.000 0.000 0.298 359 H C 2.379 177.812 175.328 0.174 0.000 1.103 359 H CA 0.491 56.694 56.048 0.259 0.000 1.293 359 H CB -0.560 29.421 29.762 0.364 0.000 1.372 359 H HN 0.147 nan 8.280 nan 0.000 0.501 360 L N 0.613 121.926 121.223 0.150 0.000 2.079 360 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 360 L C 2.568 179.252 176.870 -0.309 0.000 1.081 360 L CA 1.534 56.161 54.840 -0.355 0.000 0.752 360 L CB -0.237 41.450 42.059 -0.619 0.000 0.896 360 L HN 0.327 nan 8.230 nan 0.000 0.433 361 Q N -0.342 119.313 119.800 -0.243 0.000 2.049 361 Q HA -0.203 4.137 4.340 -0.000 0.000 0.198 361 Q C 2.200 178.232 176.000 0.053 0.000 0.971 361 Q CA 1.344 57.091 55.803 -0.092 0.000 0.833 361 Q CB 0.110 28.879 28.738 0.052 0.000 0.896 361 Q HN 0.453 nan 8.270 nan 0.000 0.434 362 I N 1.111 121.751 120.570 0.116 0.000 2.335 362 I HA -0.275 3.895 4.170 -0.000 0.000 0.251 362 I C 2.166 178.423 176.117 0.233 0.000 1.129 362 I CA 1.242 62.651 61.300 0.182 0.000 1.402 362 I CB -1.069 37.074 38.000 0.238 0.000 1.069 362 I HN 0.340 nan 8.210 nan 0.000 0.424 363 I N 0.847 121.532 120.570 0.193 0.000 2.094 363 I HA -0.285 3.885 4.170 -0.000 0.000 0.234 363 I C 2.553 178.775 176.117 0.174 0.000 1.063 363 I CA 1.259 62.672 61.300 0.189 0.000 1.328 363 I CB -0.525 37.385 38.000 -0.149 0.000 1.058 363 I HN 0.103 nan 8.210 nan 0.000 0.400 364 K N 0.682 121.078 120.400 -0.007 0.000 2.032 364 K HA -0.284 4.036 4.320 -0.000 0.000 0.218 364 K C 2.308 178.978 176.600 0.116 0.000 1.054 364 K CA 2.236 58.482 56.287 -0.068 0.000 0.941 364 K CB -0.584 31.700 32.500 -0.361 0.000 0.720 364 K HN 0.259 nan 8.250 nan 0.000 0.449 365 S N 1.025 116.795 115.700 0.115 0.000 2.378 365 S HA -0.256 4.214 4.470 -0.000 0.000 0.229 365 S C 1.762 176.467 174.600 0.176 0.000 1.052 365 S CA 1.922 60.214 58.200 0.153 0.000 1.084 365 S CB -0.179 63.111 63.200 0.151 0.000 0.950 365 S HN 0.341 nan 8.310 nan 0.000 0.440 366 E N -0.468 119.851 120.200 0.199 0.000 2.489 366 E HA 0.246 4.596 4.350 -0.000 0.000 0.193 366 E C 1.521 178.270 176.600 0.248 0.000 1.057 366 E CA 0.007 56.517 56.400 0.184 0.000 0.866 366 E CB 0.055 29.826 29.700 0.119 0.000 0.916 366 E HN 0.608 nan 8.360 nan 0.000 0.500 367 I N 0.711 121.460 120.570 0.299 0.000 2.852 367 I HA -0.129 4.041 4.170 -0.000 0.000 0.264 367 I C 1.612 177.903 176.117 0.291 0.000 1.179 367 I CA 0.360 61.867 61.300 0.345 0.000 1.480 367 I CB 0.069 38.325 38.000 0.427 0.000 1.111 367 I HN 0.101 nan 8.210 nan 0.000 0.441 368 N N 0.638 119.491 118.700 0.256 0.000 2.336 368 N HA -0.085 4.655 4.740 -0.000 0.000 0.177 368 N C 1.092 176.704 175.510 0.169 0.000 1.018 368 N CA 0.990 54.161 53.050 0.202 0.000 0.878 368 N CB -0.142 38.458 38.487 0.187 0.000 0.997 368 N HN 0.281 nan 8.380 nan 0.000 0.433 369 D N -0.528 119.982 120.400 0.183 0.000 2.371 369 D HA -0.060 4.580 4.640 -0.000 0.000 0.221 369 D C 0.710 177.156 176.300 0.243 0.000 0.986 369 D CA 0.443 54.546 54.000 0.171 0.000 0.899 369 D CB 0.103 40.992 40.800 0.149 0.000 0.902 369 D HN 0.207 nan 8.370 nan 0.000 0.530 370 F N 0.873 120.855 119.950 0.053 0.000 2.834 370 F HA 0.059 4.586 4.527 -0.000 0.000 0.332 370 F C 0.027 175.848 175.800 0.035 0.000 1.056 370 F CA -0.191 57.828 58.000 0.032 0.000 1.178 370 F CB 0.480 39.492 39.000 0.018 0.000 1.037 370 F HN -0.235 nan 8.300 nan 0.000 0.580 371 K N -0.056 120.402 120.400 0.097 0.000 3.012 371 K HA -0.220 4.100 4.320 -0.000 0.000 0.259 371 K C -2.587 174.003 176.600 -0.017 0.000 0.989 371 K CA 0.652 56.953 56.287 0.022 0.000 0.728 371 K CB -3.370 29.107 32.500 -0.039 0.000 1.260 371 K HN 0.189 nan 8.250 nan 0.000 0.480 372 P HA -0.029 nan 4.420 nan 0.000 0.267 372 P C 0.755 178.094 177.300 0.066 0.000 1.195 372 P CA 0.839 64.009 63.100 0.117 0.000 0.773 372 P CB 0.795 32.676 31.700 0.302 0.000 0.837 373 A N 2.929 125.772 122.820 0.039 0.000 2.140 373 A HA 0.143 4.463 4.320 -0.000 0.000 0.209 373 A C 0.726 178.349 177.584 0.064 0.000 1.181 373 A CA 0.793 52.847 52.037 0.029 0.000 0.824 373 A CB 0.101 19.093 19.000 -0.012 0.000 0.879 373 A HN 0.463 nan 8.150 nan 0.000 0.480 374 R N -0.912 119.636 120.500 0.081 0.000 2.621 374 R HA 0.719 5.058 4.340 -0.000 0.000 0.284 374 R C -1.778 174.654 176.300 0.219 0.000 0.998 374 R CA -0.324 55.853 56.100 0.129 0.000 0.895 374 R CB 2.032 32.280 30.300 -0.087 0.000 1.195 374 R HN 0.266 nan 8.270 nan 0.000 0.450 375 I N 1.095 121.849 120.570 0.307 0.000 2.730 375 I HA 0.702 4.872 4.170 -0.000 0.000 0.298 375 I C -1.127 175.143 176.117 0.255 0.000 1.089 375 I CA -0.663 60.825 61.300 0.313 0.000 1.041 375 I CB 2.267 40.459 38.000 0.320 0.000 1.235 375 I HN 0.766 nan 8.210 nan 0.000 0.423 376 A N 7.059 130.035 122.820 0.260 0.000 2.455 376 A HA 0.779 5.098 4.320 -0.000 0.000 0.300 376 A C -1.350 176.347 177.584 0.188 0.000 1.040 376 A CA -0.390 51.693 52.037 0.077 0.000 0.697 376 A CB 1.305 20.408 19.000 0.171 0.000 1.265 376 A HN 0.556 nan 8.150 nan 0.000 0.407 377 I N 2.113 122.649 120.570 -0.056 0.000 2.410 377 I HA 0.247 4.417 4.170 -0.000 0.000 0.286 377 I C -0.843 175.346 176.117 0.120 0.000 1.009 377 I CA -0.488 60.881 61.300 0.114 0.000 1.111 377 I CB 1.835 39.818 38.000 -0.029 0.000 1.262 377 I HN 0.593 nan 8.210 nan 0.000 0.443 378 D N 5.652 126.181 120.400 0.214 0.000 2.365 378 D HA 0.099 4.739 4.640 -0.000 0.000 0.237 378 D C 0.050 176.449 176.300 0.165 0.000 1.190 378 D CA 0.650 54.750 54.000 0.167 0.000 0.867 378 D CB 0.907 41.809 40.800 0.170 0.000 1.050 378 D HN 0.629 nan 8.370 nan 0.000 0.491 379 S N 3.524 119.289 115.700 0.109 0.000 3.837 379 S HA -0.152 4.318 4.470 -0.000 0.000 0.627 379 S C 1.144 175.754 174.600 0.017 0.000 0.633 379 S CA -0.210 58.030 58.200 0.067 0.000 1.421 379 S CB -1.425 61.815 63.200 0.065 0.000 0.844 379 S HN 0.590 nan 8.310 nan 0.000 0.880 380 L N 2.923 124.190 121.223 0.073 0.000 2.275 380 L HA -0.080 4.260 4.340 -0.000 0.000 0.215 380 L C 2.603 179.450 176.870 -0.039 0.000 1.119 380 L CA 1.564 56.469 54.840 0.109 0.000 0.790 380 L CB -0.621 41.640 42.059 0.337 0.000 0.919 380 L HN 0.906 nan 8.230 nan 0.000 0.443 381 S N -0.088 115.572 115.700 -0.067 0.000 2.469 381 S HA -0.129 4.341 4.470 -0.000 0.000 0.238 381 S C 2.041 176.535 174.600 -0.178 0.000 0.998 381 S CA 0.796 58.896 58.200 -0.167 0.000 0.957 381 S CB -0.185 62.962 63.200 -0.089 0.000 0.764 381 S HN 0.369 nan 8.310 nan 0.000 0.514 382 A N 1.868 124.612 122.820 -0.127 0.000 1.898 382 A HA 0.325 4.645 4.320 -0.000 0.000 0.214 382 A C 2.231 179.704 177.584 -0.184 0.000 1.183 382 A CA 0.904 52.881 52.037 -0.099 0.000 0.622 382 A CB -0.669 18.323 19.000 -0.014 0.000 0.824 382 A HN 0.523 nan 8.150 nan 0.000 0.444 383 L N -0.646 120.395 121.223 -0.303 0.000 2.201 383 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 383 L C 2.460 179.134 176.870 -0.328 0.000 1.105 383 L CA 0.786 55.399 54.840 -0.379 0.000 0.775 383 L CB -0.307 41.399 42.059 -0.588 0.000 0.913 383 L HN 0.394 nan 8.230 nan 0.000 0.440 384 A N -0.072 122.445 122.820 -0.506 0.000 2.310 384 A HA 0.059 4.379 4.320 -0.000 0.000 0.230 384 A C 0.683 178.059 177.584 -0.347 0.000 1.294 384 A CA -0.155 51.489 52.037 -0.655 0.000 0.898 384 A CB -0.534 17.690 19.000 -1.294 0.000 0.917 384 A HN 0.218 nan 8.150 nan 0.000 0.491 385 R N -0.372 119.995 120.500 -0.222 0.000 2.316 385 R HA 0.371 4.711 4.340 -0.000 0.000 0.314 385 R C 1.469 177.714 176.300 -0.091 0.000 1.069 385 R CA 0.786 56.807 56.100 -0.131 0.000 0.959 385 R CB 0.352 30.606 30.300 -0.076 0.000 0.987 385 R HN 0.570 nan 8.270 nan 0.000 0.446 386 G N 2.290 111.043 108.800 -0.079 0.000 5.229 386 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.250 386 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.250 386 G C 0.298 175.171 174.900 -0.045 0.000 1.380 386 G CA 0.047 45.117 45.100 -0.050 0.000 0.933 386 G HN 0.511 nan 8.290 nan 0.000 0.731 387 V N 2.732 122.623 119.914 -0.039 0.000 3.014 387 V HA 0.228 4.348 4.120 -0.000 0.000 0.277 387 V C 1.626 177.713 176.094 -0.011 0.000 1.455 387 V CA 1.158 63.450 62.300 -0.013 0.000 1.467 387 V CB 0.759 32.579 31.823 -0.004 0.000 0.913 387 V HN 1.733 nan 8.190 nan 0.000 0.529 388 S N 4.092 119.806 115.700 0.022 0.000 2.600 388 S HA 0.094 4.564 4.470 -0.000 0.000 0.265 388 S C 1.082 175.720 174.600 0.063 0.000 1.325 388 S CA 0.274 58.491 58.200 0.029 0.000 1.002 388 S CB 0.790 64.013 63.200 0.037 0.000 0.921 388 S HN 0.826 nan 8.310 nan 0.000 0.554 389 N N 1.756 120.491 118.700 0.059 0.000 2.028 389 N HA -0.179 4.561 4.740 -0.000 0.000 0.194 389 N C 1.243 176.841 175.510 0.146 0.000 1.050 389 N CA 1.693 54.805 53.050 0.104 0.000 0.848 389 N CB -0.820 37.713 38.487 0.077 0.000 1.038 389 N HN 0.708 nan 8.380 nan 0.000 0.423 390 N N 1.160 119.918 118.700 0.096 0.000 2.184 390 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 390 N C 1.567 177.130 175.510 0.089 0.000 1.011 390 N CA 1.328 54.427 53.050 0.081 0.000 0.867 390 N CB -0.531 37.988 38.487 0.054 0.000 0.993 390 N HN 0.388 nan 8.380 nan 0.000 0.433 391 A N -0.070 122.813 122.820 0.106 0.000 2.014 391 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 391 A C 1.973 179.655 177.584 0.163 0.000 1.163 391 A CA 0.455 52.561 52.037 0.115 0.000 0.652 391 A CB -0.504 18.556 19.000 0.101 0.000 0.808 391 A HN 0.248 nan 8.150 nan 0.000 0.449 392 F N 0.380 120.344 119.950 0.025 0.000 2.059 392 F HA 0.025 4.552 4.527 -0.000 0.000 0.289 392 F C 2.220 178.059 175.800 0.066 0.000 1.128 392 F CA 1.489 59.498 58.000 0.014 0.000 1.181 392 F CB -0.610 38.364 39.000 -0.044 0.000 1.012 392 F HN 0.080 nan 8.300 nan 0.000 0.473 393 R N 0.129 120.612 120.500 -0.028 0.000 2.178 393 R HA -0.301 4.039 4.340 -0.000 0.000 0.257 393 R C 2.416 178.628 176.300 -0.147 0.000 1.163 393 R CA 2.182 58.199 56.100 -0.138 0.000 0.981 393 R CB -0.540 29.767 30.300 0.011 0.000 0.878 393 R HN 0.537 nan 8.270 nan 0.000 0.454 394 Q N -0.766 119.004 119.800 -0.051 0.000 2.079 394 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 394 Q C 1.850 177.816 176.000 -0.057 0.000 0.974 394 Q CA 1.602 57.391 55.803 -0.024 0.000 0.840 394 Q CB -0.109 28.652 28.738 0.038 0.000 0.898 394 Q HN 0.363 nan 8.270 nan 0.000 0.430 395 F N 0.089 119.908 119.950 -0.217 0.000 2.102 395 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 395 F C 1.921 177.530 175.800 -0.317 0.000 1.105 395 F CA 1.296 59.154 58.000 -0.238 0.000 1.239 395 F CB -0.245 38.624 39.000 -0.218 0.000 0.991 395 F HN -0.122 nan 8.300 nan 0.000 0.474 396 V N 1.191 120.981 119.914 -0.207 0.000 2.220 396 V HA -0.368 3.752 4.120 -0.000 0.000 0.246 396 V C 2.461 178.381 176.094 -0.290 0.000 1.049 396 V CA 2.021 64.128 62.300 -0.322 0.000 1.003 396 V CB -0.736 30.774 31.823 -0.521 0.000 0.634 396 V HN 0.363 nan 8.190 nan 0.000 0.444 397 I N 0.742 121.174 120.570 -0.230 0.000 2.236 397 I HA -0.272 3.898 4.170 -0.000 0.000 0.249 397 I C 2.492 178.518 176.117 -0.151 0.000 1.102 397 I CA 2.183 63.387 61.300 -0.161 0.000 1.365 397 I CB -1.968 35.973 38.000 -0.098 0.000 1.051 397 I HN 0.447 nan 8.210 nan 0.000 0.420 398 G N 0.862 109.539 108.800 -0.205 0.000 2.524 398 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 398 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 398 G C 1.650 176.421 174.900 -0.216 0.000 1.239 398 G CA 1.068 46.032 45.100 -0.227 0.000 0.798 398 G HN 0.286 nan 8.290 nan 0.000 0.557 399 V N 1.066 120.756 119.914 -0.373 0.000 3.026 399 V HA -0.110 4.009 4.120 -0.000 0.000 0.265 399 V C 2.841 178.952 176.094 0.029 0.000 1.121 399 V CA 2.017 64.195 62.300 -0.203 0.000 1.142 399 V CB -0.646 31.010 31.823 -0.279 0.000 0.730 399 V HN 0.372 nan 8.190 nan 0.000 0.503 400 T N 0.447 114.953 114.554 -0.081 0.000 2.837 400 T HA 0.032 4.382 4.350 -0.000 0.000 0.248 400 T C 1.973 176.677 174.700 0.007 0.000 1.033 400 T CA 1.338 63.388 62.100 -0.084 0.000 1.150 400 T CB -0.399 68.321 68.868 -0.246 0.000 0.865 400 T HN 0.559 nan 8.240 nan 0.000 0.425 401 G N -0.182 108.615 108.800 -0.005 0.000 2.422 401 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 401 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 401 G C 1.401 176.348 174.900 0.078 0.000 1.140 401 G CA 0.500 45.616 45.100 0.026 0.000 0.775 401 G HN 0.497 nan 8.290 nan 0.000 0.545 402 Y N 1.927 122.221 120.300 -0.010 0.000 2.224 402 Y HA 0.056 4.606 4.550 -0.000 0.000 0.289 402 Y C 2.763 178.689 175.900 0.042 0.000 1.146 402 Y CA 1.102 59.211 58.100 0.015 0.000 1.182 402 Y CB -0.143 38.318 38.460 0.002 0.000 0.983 402 Y HN 0.230 nan 8.280 nan 0.000 0.524 403 A N -0.633 122.240 122.820 0.089 0.000 2.072 403 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 403 A C 2.193 179.794 177.584 0.028 0.000 1.156 403 A CA 1.062 53.135 52.037 0.060 0.000 0.701 403 A CB -0.418 18.696 19.000 0.190 0.000 0.816 403 A HN 0.425 nan 8.150 nan 0.000 0.458 404 K N -0.077 120.338 120.400 0.026 0.000 2.116 404 K HA -0.144 4.176 4.320 -0.000 0.000 0.203 404 K C 2.299 178.888 176.600 -0.017 0.000 1.052 404 K CA 1.426 57.722 56.287 0.015 0.000 0.952 404 K CB -0.068 32.437 32.500 0.009 0.000 0.729 404 K HN 0.781 nan 8.250 nan 0.000 0.446 405 Q N -0.554 119.216 119.800 -0.049 0.000 2.269 405 Q HA -0.055 4.285 4.340 -0.000 0.000 0.201 405 Q C 1.229 177.167 176.000 -0.103 0.000 0.946 405 Q CA 0.937 56.702 55.803 -0.063 0.000 0.877 405 Q CB 0.139 28.845 28.738 -0.053 0.000 0.963 405 Q HN 0.009 nan 8.270 nan 0.000 0.472 406 E N 0.972 121.061 120.200 -0.184 0.000 2.502 406 E HA -0.047 4.302 4.350 -0.000 0.000 0.194 406 E C -0.501 176.046 176.600 -0.090 0.000 1.062 406 E CA 0.190 56.468 56.400 -0.203 0.000 0.867 406 E CB 0.169 29.623 29.700 -0.410 0.000 0.888 406 E HN 0.248 nan 8.360 nan 0.000 0.510 407 E N -0.543 119.632 120.200 -0.041 0.000 2.596 407 E HA -0.218 4.132 4.350 -0.000 0.000 0.272 407 E C -0.683 175.937 176.600 0.034 0.000 1.039 407 E CA 0.545 56.948 56.400 0.006 0.000 0.804 407 E CB -1.990 27.712 29.700 0.003 0.000 1.373 407 E HN 0.363 nan 8.360 nan 0.000 0.404 408 I N 1.252 121.850 120.570 0.048 0.000 2.362 408 I HA 0.140 4.309 4.170 -0.000 0.000 0.289 408 I C 0.726 176.934 176.117 0.152 0.000 0.994 408 I CA -0.521 60.837 61.300 0.097 0.000 1.158 408 I CB 1.606 39.667 38.000 0.103 0.000 1.315 408 I HN -0.203 nan 8.210 nan 0.000 0.451 409 T N 4.629 119.299 114.554 0.194 0.000 2.901 409 T HA 0.428 4.778 4.350 -0.000 0.000 0.301 409 T C 0.335 175.226 174.700 0.318 0.000 1.012 409 T CA -0.398 61.868 62.100 0.276 0.000 1.135 409 T CB 1.128 70.210 68.868 0.356 0.000 0.936 409 T HN 0.828 nan 8.240 nan 0.000 0.539 410 G N 1.456 110.412 108.800 0.259 0.000 2.682 410 G HA2 0.588 4.548 3.960 -0.000 0.000 0.300 410 G HA3 0.588 4.548 3.960 -0.000 0.000 0.300 410 G C -1.794 173.041 174.900 -0.109 0.000 1.391 410 G CA -0.651 44.505 45.100 0.094 0.000 0.990 410 G HN 0.673 nan 8.290 nan 0.000 0.501 411 L N 1.612 122.579 121.223 -0.426 0.000 2.305 411 L HA 0.784 5.124 4.340 -0.000 0.000 0.284 411 L C -1.382 175.217 176.870 -0.452 0.000 1.013 411 L CA -0.724 53.824 54.840 -0.487 0.000 0.819 411 L CB 0.787 42.321 42.059 -0.875 0.000 1.227 411 L HN 0.364 nan 8.230 nan 0.000 0.417 412 F N 2.206 122.083 119.950 -0.122 0.000 2.450 412 F HA 0.602 5.129 4.527 -0.000 0.000 0.332 412 F C 0.563 176.333 175.800 -0.049 0.000 1.093 412 F CA -0.551 57.420 58.000 -0.048 0.000 1.003 412 F CB 2.087 41.069 39.000 -0.031 0.000 1.151 412 F HN 0.292 nan 8.300 nan 0.000 0.474 413 T N 2.277 116.913 114.554 0.137 0.000 2.779 413 T HA 0.326 4.676 4.350 -0.000 0.000 0.280 413 T C -0.947 173.802 174.700 0.082 0.000 0.987 413 T CA -0.716 61.431 62.100 0.079 0.000 0.966 413 T CB 0.860 69.765 68.868 0.062 0.000 0.933 413 T HN 0.494 nan 8.240 nan 0.000 0.442 414 N N 1.397 120.126 118.700 0.047 0.000 2.296 414 N HA 0.454 5.194 4.740 -0.000 0.000 0.294 414 N C -1.229 174.283 175.510 0.003 0.000 1.033 414 N CA -0.465 52.599 53.050 0.023 0.000 0.839 414 N CB 1.474 39.968 38.487 0.011 0.000 1.395 414 N HN 0.347 nan 8.380 nan 0.000 0.479 415 T N 1.575 116.126 114.554 -0.005 0.000 2.821 415 T HA 0.243 4.593 4.350 -0.000 0.000 0.307 415 T C -0.392 174.299 174.700 -0.014 0.000 1.034 415 T CA -0.648 61.454 62.100 0.004 0.000 0.953 415 T CB 0.078 68.960 68.868 0.022 0.000 0.968 415 T HN 0.579 nan 8.240 nan 0.000 0.462 416 S N 2.953 118.644 115.700 -0.015 0.000 2.515 416 S HA 0.038 4.507 4.470 -0.000 0.000 0.285 416 S C 1.038 175.630 174.600 -0.013 0.000 1.265 416 S CA -0.626 57.555 58.200 -0.032 0.000 1.079 416 S CB 0.544 63.721 63.200 -0.038 0.000 0.877 416 S HN 0.548 nan 8.310 nan 0.000 0.493 417 D N 2.292 122.669 120.400 -0.037 0.000 2.292 417 D HA -0.147 4.493 4.640 -0.000 0.000 0.205 417 D C 0.886 177.177 176.300 -0.015 0.000 0.994 417 D CA 1.434 55.418 54.000 -0.026 0.000 0.897 417 D CB 0.077 40.846 40.800 -0.052 0.000 0.907 417 D HN 0.952 nan 8.370 nan 0.000 0.467 418 Q N 0.336 120.108 119.800 -0.047 0.000 2.309 418 Q HA 0.313 4.653 4.340 -0.000 0.000 0.270 418 Q C -0.473 175.459 176.000 -0.114 0.000 1.023 418 Q CA -1.063 54.667 55.803 -0.122 0.000 0.758 418 Q CB 0.997 29.610 28.738 -0.207 0.000 1.247 418 Q HN 0.001 nan 8.270 nan 0.000 0.455 419 F N 1.906 121.868 119.950 0.020 0.000 2.529 419 F HA 0.421 4.948 4.527 -0.000 0.000 0.365 419 F C 0.205 176.022 175.800 0.029 0.000 1.102 419 F CA -0.833 57.211 58.000 0.073 0.000 1.271 419 F CB 0.316 39.382 39.000 0.110 0.000 1.120 419 F HN 0.718 nan 8.300 nan 0.000 0.579 420 M N 3.186 122.867 119.600 0.134 0.000 4.047 420 M HA -0.124 4.356 4.480 -0.000 0.000 0.157 420 M C 0.944 177.130 176.300 -0.190 0.000 1.532 420 M CA 1.309 56.613 55.300 0.008 0.000 1.097 420 M CB -1.320 31.361 32.600 0.134 0.000 1.346 420 M HN 1.683 nan 8.290 nan 0.000 0.190 421 G N 0.615 109.305 108.800 -0.183 0.000 2.179 421 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.260 421 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.260 421 G C 0.197 174.862 174.900 -0.393 0.000 0.977 421 G CA 0.387 45.304 45.100 -0.305 0.000 0.641 421 G HN 1.926 nan 8.290 nan 0.000 0.533 422 A N 0.505 123.179 122.820 -0.244 0.000 2.505 422 A HA 0.502 4.822 4.320 -0.000 0.000 0.271 422 A C 1.017 178.516 177.584 -0.143 0.000 1.112 422 A CA 0.437 52.368 52.037 -0.176 0.000 0.781 422 A CB -0.082 18.855 19.000 -0.106 0.000 1.059 422 A HN 0.446 nan 8.150 nan 0.000 0.508 423 H N 1.438 120.478 119.070 -0.050 0.000 2.539 423 H HA 0.121 4.677 4.556 -0.000 0.000 0.267 423 H C 0.339 175.647 175.328 -0.034 0.000 0.982 423 H CA 1.001 57.028 56.048 -0.034 0.000 1.146 423 H CB 0.156 29.905 29.762 -0.021 0.000 1.382 423 H HN 0.738 nan 8.280 nan 0.000 0.577 424 S N -0.995 114.738 115.700 0.055 0.000 2.548 424 S HA 0.223 4.692 4.470 -0.000 0.000 0.276 424 S C 0.796 175.360 174.600 -0.059 0.000 1.129 424 S CA -0.753 57.457 58.200 0.017 0.000 0.931 424 S CB 1.445 64.690 63.200 0.075 0.000 1.068 424 S HN -0.174 nan 8.310 nan 0.000 0.480 425 I N 2.550 123.053 120.570 -0.111 0.000 2.113 425 I HA -0.102 4.068 4.170 -0.000 0.000 0.242 425 I C 1.522 177.575 176.117 -0.106 0.000 1.064 425 I CA 2.397 63.598 61.300 -0.164 0.000 1.320 425 I CB -0.728 37.153 38.000 -0.198 0.000 1.028 425 I HN 1.038 nan 8.210 nan 0.000 0.406 426 T N -3.876 110.630 114.554 -0.080 0.000 2.912 426 T HA 0.288 4.638 4.350 -0.000 0.000 0.299 426 T C 0.346 174.917 174.700 -0.215 0.000 1.052 426 T CA -0.845 61.191 62.100 -0.107 0.000 0.996 426 T CB 1.869 70.698 68.868 -0.065 0.000 1.070 426 T HN 0.026 nan 8.240 nan 0.000 0.465 427 D N 1.711 121.970 120.400 -0.236 0.000 2.144 427 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 427 D C 1.972 177.942 176.300 -0.550 0.000 0.978 427 D CA 1.478 55.275 54.000 -0.337 0.000 0.833 427 D CB -0.056 40.615 40.800 -0.215 0.000 0.961 427 D HN 0.701 nan 8.370 nan 0.000 0.470 428 S N 0.022 115.516 115.700 -0.343 0.000 2.603 428 S HA -0.080 4.390 4.470 -0.000 0.000 0.220 428 S C 0.273 174.824 174.600 -0.082 0.000 0.967 428 S CA -0.083 58.002 58.200 -0.191 0.000 0.920 428 S CB -0.314 62.872 63.200 -0.023 0.000 0.773 428 S HN 0.233 nan 8.310 nan 0.000 0.529 429 H N 0.418 119.510 119.070 0.037 0.000 2.748 429 H HA -0.092 4.464 4.556 -0.000 0.000 0.322 429 H C 0.327 175.668 175.328 0.022 0.000 1.208 429 H CA 0.686 56.746 56.048 0.020 0.000 1.151 429 H CB -2.016 27.754 29.762 0.014 0.000 1.505 429 H HN 0.365 nan 8.280 nan 0.000 0.429 430 I N 0.269 120.894 120.570 0.092 0.000 2.867 430 I HA -0.066 4.104 4.170 -0.000 0.000 0.265 430 I C 1.466 177.577 176.117 -0.009 0.000 1.162 430 I CA 0.440 61.757 61.300 0.028 0.000 1.471 430 I CB -0.503 37.502 38.000 0.008 0.000 1.123 430 I HN 0.246 nan 8.210 nan 0.000 0.440 434 T N -0.563 113.937 114.554 -0.089 0.000 2.907 434 T HA 0.370 4.720 4.350 -0.000 0.000 0.292 434 T C 0.336 175.000 174.700 -0.059 0.000 1.043 434 T CA -0.320 61.723 62.100 -0.094 0.000 1.003 434 T CB 1.867 70.674 68.868 -0.102 0.000 1.084 434 T HN 0.044 nan 8.240 nan 0.000 0.483 435 D N 1.206 121.574 120.400 -0.054 0.000 2.201 435 D HA 0.111 4.750 4.640 -0.000 0.000 0.209 435 D C 0.222 176.501 176.300 -0.035 0.000 0.961 435 D CA 1.027 55.002 54.000 -0.043 0.000 0.861 435 D CB 0.432 41.211 40.800 -0.035 0.000 0.997 435 D HN 0.433 nan 8.370 nan 0.000 0.486 436 T N 0.986 115.504 114.554 -0.059 0.000 2.879 436 T HA 0.510 4.860 4.350 -0.000 0.000 0.290 436 T C -0.106 174.522 174.700 -0.120 0.000 0.993 436 T CA -0.494 61.550 62.100 -0.094 0.000 0.975 436 T CB 2.130 70.921 68.868 -0.129 0.000 0.981 436 T HN -0.133 nan 8.240 nan 0.000 0.439 437 I N 3.983 124.502 120.570 -0.086 0.000 2.362 437 I HA 0.440 4.609 4.170 -0.000 0.000 0.289 437 I C -0.600 175.488 176.117 -0.048 0.000 0.994 437 I CA -0.929 60.341 61.300 -0.049 0.000 1.158 437 I CB 1.237 39.262 38.000 0.042 0.000 1.315 437 I HN 0.331 nan 8.210 nan 0.000 0.451 438 I N 7.078 127.605 120.570 -0.071 0.000 2.378 438 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 438 I C -0.581 175.527 176.117 -0.014 0.000 0.992 438 I CA -0.670 60.606 61.300 -0.039 0.000 1.154 438 I CB 1.761 39.720 38.000 -0.068 0.000 1.315 438 I HN 0.339 nan 8.210 nan 0.000 0.448 439 L N 8.298 129.538 121.223 0.028 0.000 2.362 439 L HA 0.607 4.947 4.340 -0.000 0.000 0.275 439 L C -1.239 175.662 176.870 0.052 0.000 0.998 439 L CA -0.324 54.526 54.840 0.016 0.000 0.820 439 L CB 1.559 43.618 42.059 -0.001 0.000 1.270 439 L HN 0.347 nan 8.230 nan 0.000 0.415 440 L N 5.123 126.363 121.223 0.029 0.000 2.334 440 L HA 0.743 5.083 4.340 -0.000 0.000 0.276 440 L C -0.886 175.951 176.870 -0.055 0.000 1.014 440 L CA -0.690 54.181 54.840 0.051 0.000 0.815 440 L CB 1.835 43.938 42.059 0.072 0.000 1.268 440 L HN 0.779 nan 8.230 nan 0.000 0.428 441 Q N 1.274 121.005 119.800 -0.116 0.000 2.378 441 Q HA 0.411 4.751 4.340 -0.000 0.000 0.262 441 Q C -1.716 174.179 176.000 -0.174 0.000 0.978 441 Q CA -0.888 54.831 55.803 -0.141 0.000 0.918 441 Q CB 1.027 29.732 28.738 -0.055 0.000 1.415 441 Q HN 0.389 nan 8.270 nan 0.000 0.409 442 Y N 0.788 121.063 120.300 -0.041 0.000 2.550 442 Y HA 0.371 4.921 4.550 -0.000 0.000 0.343 442 Y C 0.177 176.007 175.900 -0.116 0.000 1.245 442 Y CA -0.121 57.933 58.100 -0.078 0.000 1.462 442 Y CB 0.983 39.424 38.460 -0.031 0.000 1.340 442 Y HN 0.442 nan 8.280 nan 0.000 0.604 443 V N 2.631 122.552 119.914 0.011 0.000 2.488 443 V HA 0.106 4.226 4.120 -0.000 0.000 0.293 443 V C -0.415 175.615 176.094 -0.106 0.000 1.027 443 V CA -1.248 60.955 62.300 -0.162 0.000 0.862 443 V CB 1.504 33.043 31.823 -0.473 0.000 1.008 443 V HN 0.723 nan 8.190 nan 0.000 0.428 444 E N 5.566 125.724 120.200 -0.070 0.000 2.159 444 E HA 0.196 4.546 4.350 -0.000 0.000 0.272 444 E C -1.065 175.517 176.600 -0.029 0.000 1.138 444 E CA -0.132 56.248 56.400 -0.033 0.000 0.915 444 E CB 0.420 30.117 29.700 -0.004 0.000 1.028 444 E HN 0.428 nan 8.360 nan 0.000 0.423 445 I N 5.299 125.867 120.570 -0.004 0.000 2.410 445 I HA 0.204 4.374 4.170 -0.000 0.000 0.286 445 I C 0.131 176.295 176.117 0.078 0.000 1.009 445 I CA -0.656 60.674 61.300 0.050 0.000 1.111 445 I CB 1.350 39.384 38.000 0.057 0.000 1.262 445 I HN 0.707 nan 8.210 nan 0.000 0.443 446 R N 4.080 124.644 120.500 0.106 0.000 2.939 446 R HA -0.227 4.113 4.340 -0.000 0.000 0.255 446 R C 1.101 177.430 176.300 0.049 0.000 0.882 446 R CA 0.650 56.800 56.100 0.083 0.000 0.658 446 R CB -1.673 28.684 30.300 0.094 0.000 1.447 446 R HN 1.123 nan 8.270 nan 0.000 0.506 447 G N -0.132 108.689 108.800 0.035 0.000 2.200 447 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.267 447 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.267 447 G C -0.046 174.855 174.900 0.003 0.000 0.993 447 G CA 1.071 46.180 45.100 0.015 0.000 0.701 447 G HN 0.614 nan 8.290 nan 0.000 0.524 448 E N -0.589 119.616 120.200 0.008 0.000 2.272 448 E HA 0.430 4.780 4.350 -0.000 0.000 0.269 448 E C 0.007 176.600 176.600 -0.012 0.000 0.877 448 E CA -1.064 55.334 56.400 -0.002 0.000 0.755 448 E CB 0.963 30.671 29.700 0.014 0.000 1.192 448 E HN 0.041 nan 8.360 nan 0.000 0.422 449 M N 2.842 122.420 119.600 -0.037 0.000 2.383 449 M HA 0.125 4.605 4.480 -0.000 0.000 0.337 449 M C -0.028 176.292 176.300 0.033 0.000 1.422 449 M CA 0.064 55.337 55.300 -0.045 0.000 1.333 449 M CB -0.555 31.941 32.600 -0.173 0.000 1.488 449 M HN 0.418 nan 8.290 nan 0.000 0.454 450 S N 3.411 119.138 115.700 0.045 0.000 2.593 450 S HA 0.808 5.278 4.470 -0.000 0.000 0.297 450 S C 0.007 174.591 174.600 -0.026 0.000 1.112 450 S CA -0.935 57.280 58.200 0.026 0.000 1.043 450 S CB 2.206 65.434 63.200 0.046 0.000 1.054 450 S HN 0.587 nan 8.310 nan 0.000 0.516 451 R N 0.749 121.106 120.500 -0.239 0.000 2.574 451 R HA 0.897 5.237 4.340 -0.000 0.000 0.266 451 R C -0.155 175.837 176.300 -0.513 0.000 1.157 451 R CA 0.111 55.861 56.100 -0.584 0.000 1.187 451 R CB 0.228 29.719 30.300 -1.349 0.000 1.179 451 R HN 1.103 nan 8.270 nan 0.000 0.600 452 A N -0.130 122.372 122.820 -0.529 0.000 2.590 452 A HA 0.564 4.884 4.320 -0.000 0.000 0.296 452 A C -1.598 176.077 177.584 0.151 0.000 1.050 452 A CA -0.530 51.463 52.037 -0.073 0.000 0.697 452 A CB 1.007 20.015 19.000 0.014 0.000 1.277 452 A HN 0.561 nan 8.150 nan 0.000 0.411 453 I N 1.166 121.935 120.570 0.333 0.000 2.730 453 I HA 0.716 4.886 4.170 -0.000 0.000 0.298 453 I C -1.086 175.146 176.117 0.192 0.000 1.089 453 I CA -0.686 60.796 61.300 0.303 0.000 1.041 453 I CB 2.314 40.515 38.000 0.334 0.000 1.235 453 I HN 0.823 nan 8.210 nan 0.000 0.423 454 N N 4.552 123.340 118.700 0.148 0.000 2.455 454 N HA 0.272 5.012 4.740 -0.000 0.000 0.285 454 N C -1.713 173.861 175.510 0.107 0.000 1.080 454 N CA -0.471 52.661 53.050 0.136 0.000 0.932 454 N CB 2.119 40.707 38.487 0.168 0.000 1.610 454 N HN 0.212 nan 8.380 nan 0.000 0.493 455 V N 5.566 125.514 119.914 0.056 0.000 2.287 455 V HA 0.117 4.237 4.120 -0.000 0.000 0.246 455 V C 1.182 177.196 176.094 -0.133 0.000 1.165 455 V CA -0.129 62.126 62.300 -0.074 0.000 1.088 455 V CB -1.248 30.497 31.823 -0.131 0.000 1.242 455 V HN 0.725 nan 8.190 nan 0.000 0.497 456 F N 4.394 124.258 119.950 -0.144 0.000 2.091 456 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 456 F C 1.311 177.035 175.800 -0.127 0.000 1.103 456 F CA 1.776 59.729 58.000 -0.078 0.000 1.228 456 F CB 0.319 39.287 39.000 -0.053 0.000 0.984 456 F HN 0.496 nan 8.300 nan 0.000 0.477 457 K N -0.879 119.409 120.400 -0.188 0.000 2.568 457 K HA 0.520 4.840 4.320 -0.000 0.000 0.273 457 K C -1.481 174.936 176.600 -0.304 0.000 0.951 457 K CA -0.824 55.318 56.287 -0.242 0.000 0.854 457 K CB 1.777 34.287 32.500 0.015 0.000 1.424 457 K HN 0.029 nan 8.250 nan 0.000 0.427 458 M N 2.684 122.182 119.600 -0.170 0.000 2.255 458 M HA 0.294 4.774 4.480 -0.000 0.000 0.275 458 M C 0.107 176.469 176.300 0.104 0.000 1.050 458 M CA -0.623 54.674 55.300 -0.006 0.000 0.978 458 M CB 2.297 34.928 32.600 0.051 0.000 1.761 458 M HN 0.792 nan 8.290 nan 0.000 0.479 459 R N 1.038 121.571 120.500 0.055 0.000 2.075 459 R HA -0.033 4.307 4.340 -0.000 0.000 0.232 459 R C 1.781 178.094 176.300 0.022 0.000 1.126 459 R CA 2.058 58.167 56.100 0.015 0.000 0.963 459 R CB 0.019 30.287 30.300 -0.054 0.000 0.858 459 R HN 0.891 nan 8.270 nan 0.000 0.435 460 G N -0.660 108.144 108.800 0.008 0.000 2.595 460 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.213 460 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.213 460 G C 0.563 175.707 174.900 0.406 0.000 1.141 460 G CA -0.105 45.031 45.100 0.061 0.000 0.806 460 G HN 0.222 nan 8.290 nan 0.000 0.530 461 S N -1.537 114.479 115.700 0.526 0.000 2.694 461 S HA 0.360 4.830 4.470 -0.000 0.000 0.278 461 S C 0.719 175.521 174.600 0.337 0.000 1.152 461 S CA -0.216 58.240 58.200 0.426 0.000 1.010 461 S CB 0.840 64.266 63.200 0.376 0.000 1.104 461 S HN 0.393 nan 8.310 nan 0.000 0.547 462 W N 1.855 123.245 121.300 0.151 0.000 2.539 462 W HA 0.151 4.811 4.660 -0.000 0.000 0.299 462 W C 0.451 176.948 176.519 -0.037 0.000 1.165 462 W CA 1.971 59.343 57.345 0.046 0.000 1.400 462 W CB -0.893 28.578 29.460 0.017 0.000 1.123 462 W HN 1.088 nan 8.180 nan 0.000 0.533 463 H N 0.308 118.914 119.070 -0.774 0.000 3.937 463 H HA -0.257 4.298 4.556 -0.000 0.000 0.250 463 H C -0.677 173.430 175.328 -2.034 0.000 0.600 463 H CA 0.068 55.371 56.048 -1.241 0.000 0.716 463 H CB -1.534 27.962 29.762 -0.444 0.000 1.183 463 H HN 0.278 nan 8.280 nan 0.000 0.290 464 D N 1.813 121.507 120.400 -1.176 0.000 2.399 464 D HA 0.114 4.754 4.640 -0.000 0.000 0.241 464 D C 0.531 176.689 176.300 -0.237 0.000 1.133 464 D CA -0.221 53.464 54.000 -0.525 0.000 0.890 464 D CB 0.729 41.506 40.800 -0.038 0.000 1.201 464 D HN 0.549 nan 8.370 nan 0.000 0.432 465 K N 1.756 122.067 120.400 -0.147 0.000 2.414 465 K HA 0.336 4.656 4.320 -0.000 0.000 0.204 465 K C -0.178 176.435 176.600 0.021 0.000 1.026 465 K CA -0.451 55.790 56.287 -0.077 0.000 1.108 465 K CB 0.519 32.953 32.500 -0.109 0.000 0.855 465 K HN 0.318 nan 8.250 nan 0.000 0.517 466 A N 1.782 124.637 122.820 0.058 0.000 2.301 466 A HA 0.506 4.826 4.320 -0.000 0.000 0.298 466 A C 0.121 177.777 177.584 0.119 0.000 1.185 466 A CA -0.586 51.508 52.037 0.094 0.000 0.830 466 A CB 0.063 19.125 19.000 0.103 0.000 1.112 466 A HN 0.268 nan 8.150 nan 0.000 0.508 467 I N 3.915 124.573 120.570 0.146 0.000 2.311 467 I HA 0.135 4.305 4.170 -0.000 0.000 0.297 467 I C 0.647 176.912 176.117 0.247 0.000 1.131 467 I CA 0.073 61.480 61.300 0.178 0.000 1.289 467 I CB -0.073 38.022 38.000 0.158 0.000 1.446 467 I HN 0.675 nan 8.210 nan 0.000 0.524 468 R N 4.435 125.062 120.500 0.213 0.000 2.543 468 R HA 0.368 4.708 4.340 -0.000 0.000 0.268 468 R C 0.012 176.466 176.300 0.256 0.000 1.067 468 R CA -0.659 55.555 56.100 0.190 0.000 1.142 468 R CB 1.231 31.621 30.300 0.150 0.000 1.110 468 R HN 0.554 nan 8.270 nan 0.000 0.549 469 E N 1.085 121.346 120.200 0.102 0.000 2.254 469 E HA 0.424 4.774 4.350 -0.000 0.000 0.261 469 E C -1.345 175.357 176.600 0.170 0.000 1.051 469 E CA -0.721 55.723 56.400 0.075 0.000 0.902 469 E CB 0.862 30.413 29.700 -0.249 0.000 1.168 469 E HN 0.390 nan 8.360 nan 0.000 0.423 470 F N 0.135 120.111 119.950 0.044 0.000 2.680 470 F HA 0.331 4.858 4.527 -0.000 0.000 0.315 470 F C -1.770 174.046 175.800 0.026 0.000 1.099 470 F CA -1.244 56.767 58.000 0.018 0.000 1.033 470 F CB 0.118 39.124 39.000 0.009 0.000 1.285 470 F HN 0.458 nan 8.300 nan 0.000 0.457 471 M N 3.490 123.295 119.600 0.341 0.000 2.528 471 M HA 0.830 5.310 4.480 -0.000 0.000 0.318 471 M C -1.555 174.921 176.300 0.294 0.000 1.195 471 M CA -0.556 54.885 55.300 0.234 0.000 1.000 471 M CB 2.047 34.724 32.600 0.129 0.000 1.615 471 M HN 0.556 nan 8.290 nan 0.000 0.469 472 I N 1.742 122.450 120.570 0.230 0.000 2.498 472 I HA 0.601 4.771 4.170 -0.000 0.000 0.290 472 I C -0.369 175.862 176.117 0.191 0.000 1.032 472 I CA -0.312 61.112 61.300 0.207 0.000 1.073 472 I CB 2.160 40.319 38.000 0.266 0.000 1.251 472 I HN 1.128 nan 8.210 nan 0.000 0.426 473 S N 2.750 118.557 115.700 0.178 0.000 3.081 473 S HA 0.405 4.875 4.470 -0.000 0.000 0.316 473 S C 0.279 175.005 174.600 0.211 0.000 1.089 473 S CA -0.681 57.615 58.200 0.160 0.000 0.897 473 S CB 1.372 64.631 63.200 0.098 0.000 1.358 473 S HN 0.558 nan 8.310 nan 0.000 0.678 474 D N 0.701 121.178 120.400 0.129 0.000 2.234 474 D HA 0.060 4.700 4.640 -0.000 0.000 0.205 474 D C 1.443 177.805 176.300 0.104 0.000 0.962 474 D CA 0.788 54.852 54.000 0.107 0.000 0.855 474 D CB 0.007 40.831 40.800 0.040 0.000 0.951 474 D HN 0.461 nan 8.370 nan 0.000 0.500 475 K N 0.447 120.892 120.400 0.076 0.000 2.137 475 K HA 0.205 4.525 4.320 -0.000 0.000 0.202 475 K C 1.337 177.954 176.600 0.029 0.000 1.052 475 K CA 0.672 56.981 56.287 0.037 0.000 0.961 475 K CB 0.608 33.118 32.500 0.018 0.000 0.741 475 K HN 0.125 nan 8.250 nan 0.000 0.452 476 G N 0.917 109.738 108.800 0.035 0.000 2.260 476 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.250 476 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.250 476 G C -3.082 171.764 174.900 -0.089 0.000 1.340 476 G CA -1.007 44.048 45.100 -0.075 0.000 1.056 476 G HN -0.120 nan 8.290 nan 0.000 0.471 477 P HA 0.371 nan 4.420 nan 0.000 0.291 477 P C -1.529 175.702 177.300 -0.116 0.000 1.340 477 P CA 0.299 63.279 63.100 -0.199 0.000 0.799 477 P CB 1.407 32.863 31.700 -0.407 0.000 0.917 478 D N 4.007 124.401 120.400 -0.010 0.000 2.392 478 D HA 0.247 4.887 4.640 -0.000 0.000 0.228 478 D C -0.226 176.118 176.300 0.072 0.000 1.074 478 D CA -0.562 53.450 54.000 0.021 0.000 0.838 478 D CB 0.190 41.015 40.800 0.042 0.000 1.067 478 D HN 0.222 nan 8.370 nan 0.000 0.511 479 I N 5.016 125.608 120.570 0.038 0.000 2.294 479 I HA 0.113 4.283 4.170 -0.000 0.000 0.295 479 I C 1.311 177.468 176.117 0.067 0.000 1.098 479 I CA -0.375 60.977 61.300 0.086 0.000 1.277 479 I CB 0.571 38.600 38.000 0.048 0.000 1.434 479 I HN 0.318 nan 8.210 nan 0.000 0.498 480 K N 3.700 124.141 120.400 0.068 0.000 2.916 480 K HA 0.165 4.484 4.320 -0.000 0.000 0.183 480 K C 0.118 176.715 176.600 -0.006 0.000 1.138 480 K CA -0.212 56.084 56.287 0.016 0.000 1.346 480 K CB 0.179 32.671 32.500 -0.013 0.000 1.866 480 K HN 0.430 nan 8.250 nan 0.000 0.503 481 D N -0.138 120.221 120.400 -0.069 0.000 2.564 481 D HA 0.198 4.838 4.640 -0.000 0.000 0.273 481 D C -0.462 175.759 176.300 -0.132 0.000 1.192 481 D CA -0.185 53.765 54.000 -0.082 0.000 1.080 481 D CB 1.305 42.044 40.800 -0.101 0.000 1.160 481 D HN 0.363 nan 8.370 nan 0.000 0.607 482 S N -0.757 114.891 115.700 -0.087 0.000 2.638 482 S HA 0.533 5.003 4.470 -0.000 0.000 0.298 482 S C -0.488 174.057 174.600 -0.092 0.000 1.111 482 S CA -0.717 57.475 58.200 -0.013 0.000 1.027 482 S CB 0.628 63.883 63.200 0.091 0.000 1.064 482 S HN 0.224 nan 8.310 nan 0.000 0.525 483 F N 1.371 121.337 119.950 0.027 0.000 2.451 483 F HA 0.484 5.011 4.527 -0.000 0.000 0.356 483 F C 1.656 177.561 175.800 0.176 0.000 1.178 483 F CA -0.812 57.216 58.000 0.048 0.000 1.210 483 F CB 0.246 39.140 39.000 -0.176 0.000 1.504 483 F HN 0.690 nan 8.300 nan 0.000 0.598 484 R N 2.056 122.729 120.500 0.289 0.000 2.093 484 R HA -0.061 4.279 4.340 -0.000 0.000 0.224 484 R C 1.452 177.895 176.300 0.239 0.000 1.101 484 R CA 1.032 57.266 56.100 0.223 0.000 0.979 484 R CB 0.067 30.447 30.300 0.134 0.000 0.877 484 R HN 0.536 nan 8.270 nan 0.000 0.441 485 N N 0.018 118.891 118.700 0.288 0.000 2.413 485 N HA -0.034 4.706 4.740 -0.000 0.000 0.207 485 N C -0.764 174.725 175.510 -0.035 0.000 1.206 485 N CA 0.374 53.486 53.050 0.105 0.000 0.832 485 N CB 0.026 38.515 38.487 0.004 0.000 1.037 485 N HN 0.007 nan 8.380 nan 0.000 0.467 486 F N 0.443 120.458 119.950 0.108 0.000 2.631 486 F HA 0.513 5.040 4.527 -0.000 0.000 0.328 486 F C 0.497 176.333 175.800 0.059 0.000 1.067 486 F CA -0.990 57.062 58.000 0.086 0.000 0.969 486 F CB 1.622 40.684 39.000 0.103 0.000 1.332 486 F HN -0.178 nan 8.300 nan 0.000 0.490 487 E N -0.355 119.993 120.200 0.247 0.000 2.393 487 E HA 0.483 4.833 4.350 -0.000 0.000 0.273 487 E C -1.089 175.585 176.600 0.123 0.000 0.918 487 E CA -1.050 55.435 56.400 0.141 0.000 0.773 487 E CB 2.033 31.783 29.700 0.083 0.000 1.275 487 E HN 0.456 nan 8.360 nan 0.000 0.451 488 R N 1.299 121.848 120.500 0.082 0.000 3.188 488 R HA -0.223 4.116 4.340 -0.000 0.000 0.247 488 R C 0.637 176.955 176.300 0.029 0.000 0.918 488 R CA 0.140 56.274 56.100 0.056 0.000 0.629 488 R CB -1.892 28.439 30.300 0.052 0.000 1.087 488 R HN 0.649 nan 8.270 nan 0.000 0.462 489 I N 0.288 120.863 120.570 0.008 0.000 2.277 489 I HA -0.216 3.953 4.170 -0.000 0.000 0.243 489 I C 2.346 178.414 176.117 -0.082 0.000 1.094 489 I CA 0.726 61.973 61.300 -0.089 0.000 1.393 489 I CB -0.063 37.867 38.000 -0.117 0.000 1.078 489 I HN 0.324 nan 8.210 nan 0.000 0.417 490 I N 1.105 121.663 120.570 -0.020 0.000 2.315 490 I HA -0.278 3.892 4.170 -0.000 0.000 0.251 490 I C 2.604 178.704 176.117 -0.028 0.000 1.125 490 I CA 1.776 63.074 61.300 -0.005 0.000 1.392 490 I CB -1.200 36.830 38.000 0.049 0.000 1.065 490 I HN 0.320 nan 8.210 nan 0.000 0.424 491 S N -0.242 115.442 115.700 -0.026 0.000 2.603 491 S HA 0.129 4.598 4.470 -0.000 0.000 0.229 491 S C 1.809 176.378 174.600 -0.051 0.000 0.972 491 S CA 0.660 58.830 58.200 -0.049 0.000 0.935 491 S CB -0.037 63.149 63.200 -0.023 0.000 0.769 491 S HN 0.600 nan 8.310 nan 0.000 0.536 492 G N 0.950 109.720 108.800 -0.050 0.000 2.498 492 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.229 492 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.229 492 G C 0.365 175.242 174.900 -0.038 0.000 1.156 492 G CA 0.152 45.233 45.100 -0.031 0.000 0.680 492 G HN 0.790 nan 8.290 nan 0.000 0.512 493 S N 3.554 119.243 115.700 -0.019 0.000 2.665 493 S HA 0.583 5.053 4.470 -0.000 0.000 0.230 493 S C -2.134 172.474 174.600 0.015 0.000 1.326 493 S CA -0.679 57.521 58.200 0.000 0.000 1.055 493 S CB 1.885 65.094 63.200 0.016 0.000 1.178 493 S HN 0.449 nan 8.310 nan 0.000 0.489 494 P HA 0.268 nan 4.420 nan 0.000 0.274 494 P C -0.420 176.992 177.300 0.186 0.000 1.260 494 P CA -0.377 62.778 63.100 0.092 0.000 0.793 494 P CB 0.450 32.181 31.700 0.053 0.000 1.048 495 T N 1.110 115.797 114.554 0.221 0.000 2.893 495 T HA 0.286 4.636 4.350 -0.000 0.000 0.324 495 T C -0.168 174.560 174.700 0.047 0.000 1.082 495 T CA -0.668 61.511 62.100 0.132 0.000 0.983 495 T CB 0.009 68.915 68.868 0.062 0.000 1.005 495 T HN 0.232 nan 8.240 nan 0.000 0.475 496 R N 2.648 123.101 120.500 -0.077 0.000 2.538 496 R HA 0.258 4.598 4.340 -0.000 0.000 0.282 496 R C 0.020 176.094 176.300 -0.376 0.000 1.009 496 R CA -0.063 55.637 56.100 -0.667 0.000 1.063 496 R CB -0.221 29.836 30.300 -0.406 0.000 0.945 496 R HN 0.582 nan 8.270 nan 0.000 0.414 497 I N -1.402 118.918 120.570 -0.417 0.000 2.884 497 I HA 0.113 4.283 4.170 -0.000 0.000 0.317 497 I C 0.785 176.812 176.117 -0.150 0.000 1.498 497 I CA -0.548 60.634 61.300 -0.196 0.000 0.796 497 I CB 0.765 38.702 38.000 -0.106 0.000 2.162 497 I HN 0.663 nan 8.210 nan 0.000 0.603 498 T N -1.394 113.068 114.554 -0.154 0.000 2.684 498 T HA 0.036 4.386 4.350 -0.000 0.000 0.253 498 T C 1.073 175.739 174.700 -0.057 0.000 1.057 498 T CA 1.021 63.066 62.100 -0.092 0.000 1.162 498 T CB -0.710 68.109 68.868 -0.081 0.000 0.868 498 T HN 0.359 nan 8.240 nan 0.000 0.409 499 V N 3.561 123.444 119.914 -0.052 0.000 5.633 499 V HA -0.100 4.020 4.120 -0.000 0.000 0.145 499 V C -0.004 176.076 176.094 -0.023 0.000 0.731 499 V CA 1.541 63.821 62.300 -0.033 0.000 0.520 499 V CB -2.299 29.505 31.823 -0.032 0.000 0.164 499 V HN 0.993 nan 8.190 nan 0.000 0.360 500 D N 0.409 120.797 120.400 -0.019 0.000 3.314 500 D HA -0.105 4.535 4.640 -0.000 0.000 0.238 500 D C 0.363 176.657 176.300 -0.010 0.000 1.013 500 D CA 0.747 54.741 54.000 -0.012 0.000 0.974 500 D CB -0.174 40.621 40.800 -0.009 0.000 0.946 500 D HN 0.860 nan 8.370 nan 0.000 0.418 501 E N 0.634 120.828 120.200 -0.009 0.000 2.438 501 E HA -0.043 4.307 4.350 -0.000 0.000 0.261 501 E C 1.087 177.688 176.600 0.001 0.000 1.103 501 E CA -0.220 56.177 56.400 -0.005 0.000 0.959 501 E CB 0.504 30.203 29.700 -0.002 0.000 0.958 501 E HN 0.040 nan 8.360 nan 0.000 0.447 502 K N 1.053 121.456 120.400 0.005 0.000 2.699 502 K HA -0.181 4.139 4.320 -0.000 0.000 0.197 502 K C 0.974 177.577 176.600 0.007 0.000 1.022 502 K CA 1.142 57.434 56.287 0.007 0.000 0.922 502 K CB -0.611 31.896 32.500 0.012 0.000 0.770 502 K HN 0.427 nan 8.250 nan 0.000 0.497 503 S N -0.859 114.844 115.700 0.005 0.000 2.577 503 S HA 0.106 4.576 4.470 -0.000 0.000 0.219 503 S C -0.542 174.060 174.600 0.003 0.000 0.962 503 S CA -0.421 57.782 58.200 0.004 0.000 0.921 503 S CB -0.432 62.771 63.200 0.004 0.000 0.789 503 S HN 0.417 nan 8.310 nan 0.000 0.497 504 E N -0.823 119.379 120.200 0.003 0.000 8.961 504 E HA -0.181 4.168 4.350 -0.000 0.000 0.470 504 E C -0.170 176.431 176.600 0.001 0.000 1.290 504 E CA 0.429 56.831 56.400 0.002 0.000 2.247 504 E CB -0.876 28.826 29.700 0.003 0.000 1.017 504 E HN 0.276 nan 8.360 nan 0.000 0.265 505 L N 1.875 123.098 121.223 0.001 0.000 2.549 505 L HA -0.059 4.281 4.340 -0.000 0.000 0.230 505 L C 1.442 178.312 176.870 0.001 0.000 1.162 505 L CA 2.336 57.176 54.840 0.001 0.000 0.834 505 L CB -0.453 41.606 42.059 0.000 0.000 0.947 505 L HN 0.504 nan 8.230 nan 0.000 0.452 506 S N -1.046 114.655 115.700 0.002 0.000 3.324 506 S HA 0.150 4.620 4.470 -0.000 0.000 0.229 506 S C 1.374 175.975 174.600 0.002 0.000 1.417 506 S CA -0.150 58.051 58.200 0.002 0.000 1.211 506 S CB -0.415 62.786 63.200 0.002 0.000 1.157 506 S HN 0.642 nan 8.310 nan 0.000 0.491 507 R N 1.341 121.841 120.500 0.001 0.000 2.210 507 R HA 0.248 4.588 4.340 -0.000 0.000 0.203 507 R C 1.450 177.751 176.300 0.002 0.000 1.010 507 R CA 0.842 56.943 56.100 0.002 0.000 1.008 507 R CB -0.546 29.755 30.300 0.001 0.000 0.923 507 R HN 0.613 nan 8.270 nan 0.000 0.469 508 I N -0.805 119.766 120.570 0.001 0.000 3.914 508 I HA 0.250 4.420 4.170 -0.000 0.000 0.333 508 I C 0.141 176.259 176.117 0.001 0.000 1.449 508 I CA -0.621 60.679 61.300 0.001 0.000 1.135 508 I CB -0.009 37.991 38.000 0.001 0.000 1.073 508 I HN -0.090 nan 8.210 nan 0.000 0.401 509 V N 2.643 122.558 119.914 0.002 0.000 4.178 509 V HA -0.387 3.733 4.120 -0.000 0.000 0.173 509 V C 1.613 177.708 176.094 0.002 0.000 0.627 509 V CA 1.295 63.596 62.300 0.002 0.000 0.921 509 V CB -2.036 29.789 31.823 0.002 0.000 0.955 509 V HN 0.792 nan 8.190 nan 0.000 0.853 510 R N -1.329 119.171 120.500 0.002 0.000 1.258 510 R HA -0.315 4.025 4.340 -0.000 0.000 0.031 510 R C 1.480 177.781 176.300 0.001 0.000 0.958 510 R CA 2.831 58.932 56.100 0.001 0.000 1.916 510 R CB -1.948 28.353 30.300 0.002 0.000 0.240 510 R HN 2.083 nan 8.270 nan 0.000 0.707 511 G N -1.258 107.543 108.800 0.001 0.000 2.207 511 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.193 511 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.193 511 G C 0.449 175.350 174.900 0.001 0.000 1.050 511 G CA 0.885 45.986 45.100 0.001 0.000 0.780 511 G HN 0.870 nan 8.290 nan 0.000 0.504 512 V N -2.373 117.542 119.914 0.001 0.000 2.649 512 V HA 0.228 4.348 4.120 -0.000 0.000 0.248 512 V C 1.347 177.442 176.094 0.001 0.000 1.054 512 V CA 1.945 64.246 62.300 0.001 0.000 1.073 512 V CB 0.050 31.874 31.823 0.002 0.000 0.699 512 V HN 0.338 nan 8.190 nan 0.000 0.463 513 Q N 1.352 121.152 119.800 0.001 0.000 3.026 513 Q HA 0.185 4.525 4.340 -0.000 0.000 0.258 513 Q C 0.521 176.522 176.000 0.001 0.000 1.388 513 Q CA 0.506 56.310 55.803 0.001 0.000 1.000 513 Q CB 0.087 28.826 28.738 0.002 0.000 1.634 513 Q HN 0.687 nan 8.270 nan 0.000 0.571 514 E N 1.114 121.314 120.200 0.001 0.000 2.676 514 E HA 0.220 4.570 4.350 -0.000 0.000 0.225 514 E C -0.886 175.715 176.600 0.001 0.000 0.944 514 E CA 0.143 56.544 56.400 0.001 0.000 1.156 514 E CB 0.604 30.305 29.700 0.001 0.000 1.117 514 E HN 0.171 nan 8.360 nan 0.000 0.523 515 K N -0.955 119.446 120.400 0.001 0.000 2.559 515 K HA 0.722 5.041 4.320 -0.000 0.000 0.249 515 K C 0.193 176.793 176.600 0.001 0.000 0.958 515 K CA 0.097 56.384 56.287 0.001 0.000 0.901 515 K CB 1.650 34.151 32.500 0.001 0.000 1.124 515 K HN 0.058 nan 8.250 nan 0.000 0.437 516 G N 2.965 111.766 108.800 0.001 0.000 4.227 516 G HA2 0.038 3.998 3.960 -0.000 0.000 0.200 516 G HA3 0.038 3.998 3.960 -0.000 0.000 0.200 516 G C -2.212 172.688 174.900 0.001 0.000 0.920 516 G CA -0.273 44.828 45.100 0.001 0.000 0.953 516 G HN 0.472 nan 8.290 nan 0.000 0.323 517 P HA 0.715 nan 4.420 nan 0.000 0.290 517 P C -0.708 176.592 177.300 0.001 0.000 1.275 517 P CA -0.256 62.845 63.100 0.001 0.000 0.841 517 P CB 2.198 33.899 31.700 0.001 0.000 1.042 518 E N -0.804 119.397 120.200 0.001 0.000 3.176 518 E HA 0.388 4.738 4.350 -0.000 0.000 0.127 518 E C 0.008 176.608 176.600 0.001 0.000 0.963 518 E CA -0.764 55.637 56.400 0.001 0.000 0.818 518 E CB -0.705 28.995 29.700 0.001 0.000 2.051 518 E HN 0.249 nan 8.360 nan 0.000 0.408 519 S N 0.000 115.700 115.700 0.001 0.000 2.498 519 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 519 S CA 0.000 58.200 58.200 0.001 0.000 1.107 519 S CB 0.000 63.200 63.200 0.001 0.000 0.593 519 S HN 0.000 nan 8.310 nan 0.000 0.517