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 3k0f_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 SIADSHISAI 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 0.000 176.728 176.600 0.213 0.000 1.382 14 E CA 0.000 56.421 56.400 0.035 0.000 0.976 14 E CB 0.000 29.706 29.700 0.011 0.000 0.812 15 H N -0.276 118.799 119.070 0.009 0.000 2.492 15 H HA 0.416 4.972 4.556 -0.000 0.000 0.264 15 H C -0.462 174.872 175.328 0.011 0.000 1.150 15 H CA -0.293 55.761 56.048 0.010 0.000 0.962 15 H CB 0.963 30.730 29.762 0.009 0.000 1.766 15 H HN 0.058 nan 8.280 nan 0.000 0.589 16 Q N -0.141 119.733 119.800 0.123 0.000 2.892 16 Q HA 0.617 4.957 4.340 -0.000 0.000 0.307 16 Q C -0.048 175.985 176.000 0.056 0.000 1.039 16 Q CA -0.546 55.301 55.803 0.073 0.000 0.792 16 Q CB 1.161 29.932 28.738 0.055 0.000 1.504 16 Q HN 0.338 nan 8.270 nan 0.000 0.487 17 A N 0.140 122.987 122.820 0.044 0.000 2.264 17 A HA 0.230 4.550 4.320 -0.000 0.000 0.291 17 A C -0.396 177.213 177.584 0.042 0.000 1.253 17 A CA 0.234 52.295 52.037 0.041 0.000 0.865 17 A CB -0.408 18.616 19.000 0.040 0.000 1.129 17 A HN 0.481 nan 8.150 nan 0.000 0.513 18 I N -0.269 120.326 120.570 0.041 0.000 2.365 18 I HA 0.477 4.647 4.170 -0.000 0.000 0.291 18 I C 0.781 176.921 176.117 0.037 0.000 1.004 18 I CA 0.218 61.542 61.300 0.039 0.000 1.311 18 I CB 0.813 38.837 38.000 0.040 0.000 1.401 18 I HN 0.601 nan 8.210 nan 0.000 0.491 19 A N 6.624 129.463 122.820 0.031 0.000 2.316 19 A HA 0.662 4.982 4.320 -0.000 0.000 0.284 19 A C 0.077 177.677 177.584 0.027 0.000 1.115 19 A CA -0.556 51.495 52.037 0.025 0.000 0.812 19 A CB 0.392 19.401 19.000 0.014 0.000 1.064 19 A HN 0.712 nan 8.150 nan 0.000 0.489 20 K N 0.605 121.021 120.400 0.027 0.000 2.238 20 K HA 0.628 4.948 4.320 -0.000 0.000 0.239 20 K C -0.788 175.820 176.600 0.014 0.000 0.987 20 K CA -0.508 55.801 56.287 0.037 0.000 0.857 20 K CB 2.028 34.563 32.500 0.058 0.000 1.154 20 K HN 0.767 nan 8.250 nan 0.000 0.439 21 M N 1.938 121.556 119.600 0.032 0.000 2.190 21 M HA 0.320 4.800 4.480 -0.000 0.000 0.312 21 M C -0.992 175.327 176.300 0.032 0.000 0.990 21 M CA -0.566 54.723 55.300 -0.017 0.000 0.927 21 M CB 1.197 33.805 32.600 0.013 0.000 1.571 21 M HN 0.451 nan 8.290 nan 0.000 0.427 22 R N 2.077 122.545 120.500 -0.053 0.000 2.570 22 R HA 0.074 4.414 4.340 -0.000 0.000 0.277 22 R C 1.188 177.579 176.300 0.152 0.000 1.039 22 R CA 0.609 56.750 56.100 0.069 0.000 1.065 22 R CB 0.312 30.675 30.300 0.104 0.000 0.964 22 R HN 0.798 nan 8.270 nan 0.000 0.428 23 T N -0.361 114.326 114.554 0.220 0.000 3.037 23 T HA 0.009 4.359 4.350 -0.000 0.000 0.252 23 T C 1.185 175.965 174.700 0.134 0.000 1.073 23 T CA -0.087 62.130 62.100 0.194 0.000 1.091 23 T CB 0.292 69.186 68.868 0.044 0.000 0.935 23 T HN 0.561 nan 8.240 nan 0.000 0.488 24 M N -0.472 119.230 119.600 0.170 0.000 2.901 24 M HA -0.135 4.345 4.480 -0.000 0.000 0.182 24 M C -0.051 176.294 176.300 0.075 0.000 0.641 24 M CA 0.419 55.796 55.300 0.129 0.000 0.689 24 M CB -2.578 30.090 32.600 0.114 0.000 2.484 24 M HN 0.466 nan 8.290 nan 0.000 0.302 25 I N 1.539 122.138 120.570 0.048 0.000 2.533 25 I HA 0.007 4.177 4.170 -0.000 0.000 0.284 25 I C 1.376 177.537 176.117 0.072 0.000 1.109 25 I CA 0.016 61.318 61.300 0.003 0.000 1.412 25 I CB 0.524 38.447 38.000 -0.127 0.000 1.396 25 I HN 0.078 nan 8.210 nan 0.000 0.543 26 E N 5.660 125.883 120.200 0.038 0.000 2.614 26 E HA -0.057 4.293 4.350 -0.000 0.000 0.245 26 E C 1.019 177.628 176.600 0.015 0.000 1.039 26 E CA 1.148 57.559 56.400 0.020 0.000 0.948 26 E CB 0.230 29.917 29.700 -0.021 0.000 0.937 26 E HN 0.965 nan 8.360 nan 0.000 0.498 27 G N 5.128 113.951 108.800 0.037 0.000 2.420 27 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.221 27 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.221 27 G C 0.722 175.644 174.900 0.037 0.000 1.117 27 G CA 0.200 45.309 45.100 0.014 0.000 0.657 27 G HN 0.599 nan 8.290 nan 0.000 0.512 28 F N 2.549 122.490 119.950 -0.014 0.000 2.192 28 F HA 0.014 4.541 4.527 -0.000 0.000 0.301 28 F C 1.999 177.818 175.800 0.032 0.000 1.079 28 F CA 2.435 60.448 58.000 0.021 0.000 1.303 28 F CB 0.081 39.131 39.000 0.082 0.000 1.024 28 F HN 0.238 nan 8.300 nan 0.000 0.494 29 D N -0.310 120.177 120.400 0.145 0.000 2.363 29 D HA -0.100 4.540 4.640 -0.000 0.000 0.226 29 D C 1.379 177.678 176.300 -0.003 0.000 1.020 29 D CA 0.653 54.704 54.000 0.085 0.000 0.892 29 D CB -0.163 40.731 40.800 0.157 0.000 0.900 29 D HN 0.484 nan 8.370 nan 0.000 0.531 30 D N 0.249 120.621 120.400 -0.046 0.000 2.369 30 D HA 0.073 4.713 4.640 -0.000 0.000 0.231 30 D C 2.370 178.652 176.300 -0.030 0.000 0.967 30 D CA 0.005 53.988 54.000 -0.030 0.000 0.905 30 D CB 0.575 41.349 40.800 -0.044 0.000 1.044 30 D HN 0.192 nan 8.370 nan 0.000 0.487 31 I N 1.687 122.128 120.570 -0.216 0.000 2.264 31 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 31 I C 2.082 178.027 176.117 -0.287 0.000 1.111 31 I CA 1.139 62.238 61.300 -0.335 0.000 1.382 31 I CB -0.162 37.539 38.000 -0.498 0.000 1.060 31 I HN -0.037 nan 8.210 nan 0.000 0.418 32 S N -1.595 113.870 115.700 -0.392 0.000 2.634 32 S HA 0.014 4.484 4.470 -0.000 0.000 0.221 32 S C 0.530 175.136 174.600 0.011 0.000 0.952 32 S CA -0.283 57.745 58.200 -0.288 0.000 0.930 32 S CB -0.352 62.557 63.200 -0.486 0.000 0.780 32 S HN 0.455 nan 8.310 nan 0.000 0.498 33 H N 0.742 119.757 119.070 -0.092 0.000 2.741 33 H HA -0.136 4.420 4.556 -0.000 0.000 0.305 33 H C 1.278 176.598 175.328 -0.012 0.000 1.169 33 H CA 0.935 56.962 56.048 -0.035 0.000 1.144 33 H CB -1.617 28.141 29.762 -0.007 0.000 1.397 33 H HN 0.799 nan 8.280 nan 0.000 0.409 34 G N -3.246 105.606 108.800 0.087 0.000 3.006 34 G HA2 0.374 4.334 3.960 -0.000 0.000 0.195 34 G HA3 0.374 4.334 3.960 -0.000 0.000 0.195 34 G C 0.824 175.781 174.900 0.096 0.000 1.034 34 G CA 0.709 45.853 45.100 0.073 0.000 0.807 34 G HN 1.556 nan 8.290 nan 0.000 0.469 35 G N -0.639 108.231 108.800 0.116 0.000 2.316 35 G HA2 0.317 4.277 3.960 -0.000 0.000 0.349 35 G HA3 0.317 4.277 3.960 -0.000 0.000 0.349 35 G C -0.489 174.543 174.900 0.220 0.000 1.274 35 G CA -0.412 44.827 45.100 0.232 0.000 1.018 35 G HN 1.007 nan 8.290 nan 0.000 0.486 36 L N 1.066 122.435 121.223 0.244 0.000 2.426 36 L HA 0.329 4.669 4.340 -0.000 0.000 0.271 36 L C -1.968 174.953 176.870 0.085 0.000 1.169 36 L CA -1.400 53.525 54.840 0.141 0.000 0.836 36 L CB 0.665 42.737 42.059 0.021 0.000 1.112 36 L HN 0.228 nan 8.230 nan 0.000 0.465 37 P HA 0.114 nan 4.420 nan 0.000 0.265 37 P C -0.029 177.296 177.300 0.041 0.000 1.222 37 P CA -0.010 63.116 63.100 0.044 0.000 0.767 37 P CB 0.311 32.031 31.700 0.032 0.000 0.801 38 I N 2.616 123.209 120.570 0.039 0.000 2.932 38 I HA -0.079 4.091 4.170 -0.000 0.000 0.295 38 I C 1.743 177.878 176.117 0.031 0.000 1.227 38 I CA 1.475 62.796 61.300 0.035 0.000 1.429 38 I CB -0.200 37.811 38.000 0.019 0.000 1.339 38 I HN 0.707 nan 8.210 nan 0.000 0.589 39 G N 4.742 113.562 108.800 0.032 0.000 2.189 39 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.267 39 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.267 39 G C 0.356 175.270 174.900 0.022 0.000 0.975 39 G CA 0.152 45.267 45.100 0.026 0.000 0.644 39 G HN 0.630 nan 8.290 nan 0.000 0.537 40 R N -0.264 120.250 120.500 0.025 0.000 2.912 40 R HA 0.680 5.020 4.340 -0.000 0.000 0.262 40 R C -0.219 176.088 176.300 0.013 0.000 1.057 40 R CA -0.228 55.881 56.100 0.015 0.000 0.981 40 R CB 1.487 31.795 30.300 0.013 0.000 1.201 40 R HN 0.217 nan 8.270 nan 0.000 0.484 41 S N -0.070 115.631 115.700 0.001 0.000 2.687 41 S HA 0.490 4.960 4.470 -0.000 0.000 0.283 41 S C -0.425 174.161 174.600 -0.024 0.000 1.170 41 S CA -0.698 57.498 58.200 -0.007 0.000 1.008 41 S CB 1.767 64.965 63.200 -0.003 0.000 1.026 41 S HN 0.477 nan 8.310 nan 0.000 0.541 42 T N 1.970 116.496 114.554 -0.047 0.000 2.881 42 T HA 0.404 4.754 4.350 -0.000 0.000 0.291 42 T C -0.925 173.732 174.700 -0.071 0.000 0.990 42 T CA -0.493 61.568 62.100 -0.064 0.000 0.976 42 T CB 1.066 69.882 68.868 -0.086 0.000 0.970 42 T HN 0.440 nan 8.240 nan 0.000 0.438 43 L N 4.849 126.032 121.223 -0.068 0.000 2.305 43 L HA 0.664 5.003 4.340 -0.000 0.000 0.281 43 L C -0.905 175.898 176.870 -0.110 0.000 1.085 43 L CA -0.102 54.699 54.840 -0.066 0.000 0.813 43 L CB 0.765 42.796 42.059 -0.047 0.000 1.157 43 L HN 0.463 nan 8.230 nan 0.000 0.436 44 V N 4.899 124.740 119.914 -0.121 0.000 2.409 44 V HA 0.606 4.726 4.120 -0.000 0.000 0.290 44 V C -0.244 175.781 176.094 -0.114 0.000 1.017 44 V CA -0.265 61.920 62.300 -0.192 0.000 0.841 44 V CB 1.242 32.873 31.823 -0.321 0.000 1.003 44 V HN 0.931 nan 8.190 nan 0.000 0.426 45 S N 3.022 118.665 115.700 -0.095 0.000 2.677 45 S HA 1.045 5.515 4.470 -0.000 0.000 0.304 45 S C -0.184 174.388 174.600 -0.046 0.000 1.108 45 S CA -0.303 57.865 58.200 -0.053 0.000 0.944 45 S CB 2.573 65.751 63.200 -0.037 0.000 1.127 45 S HN 1.523 nan 8.310 nan 0.000 0.511 46 G N 0.387 109.170 108.800 -0.027 0.000 2.355 46 G HA2 0.475 4.435 3.960 -0.000 0.000 0.296 46 G HA3 0.475 4.435 3.960 -0.000 0.000 0.296 46 G C -0.449 174.443 174.900 -0.014 0.000 1.507 46 G CA -0.159 44.929 45.100 -0.021 0.000 0.823 46 G HN 1.191 nan 8.290 nan 0.000 0.569 47 T N -1.318 113.221 114.554 -0.024 0.000 2.640 47 T HA 0.501 4.851 4.350 -0.000 0.000 0.316 47 T C 1.123 175.825 174.700 0.003 0.000 1.036 47 T CA 0.508 62.596 62.100 -0.020 0.000 1.009 47 T CB 1.019 69.866 68.868 -0.034 0.000 1.017 47 T HN 1.342 nan 8.240 nan 0.000 0.530 48 S N -0.153 115.551 115.700 0.005 0.000 2.537 48 S HA 0.422 4.892 4.470 -0.000 0.000 0.286 48 S C 1.468 176.086 174.600 0.030 0.000 1.299 48 S CA 0.547 58.759 58.200 0.020 0.000 1.067 48 S CB -1.024 62.185 63.200 0.015 0.000 0.864 48 S HN 2.004 nan 8.310 nan 0.000 0.494 49 G N 3.167 111.998 108.800 0.051 0.000 2.137 49 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.237 49 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.237 49 G C 0.563 175.514 174.900 0.086 0.000 1.002 49 G CA 0.758 45.897 45.100 0.065 0.000 0.702 49 G HN 1.150 nan 8.290 nan 0.000 0.515 50 T N -3.515 111.098 114.554 0.098 0.000 3.037 50 T HA 0.474 4.824 4.350 -0.000 0.000 0.252 50 T C 2.066 176.913 174.700 0.246 0.000 1.073 50 T CA 1.579 63.766 62.100 0.145 0.000 1.091 50 T CB 0.721 69.650 68.868 0.102 0.000 0.935 50 T HN 2.068 nan 8.240 nan 0.000 0.488 51 G N 1.075 109.987 108.800 0.188 0.000 2.198 51 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.156 51 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.156 51 G C 0.698 175.676 174.900 0.130 0.000 1.012 51 G CA 0.159 45.369 45.100 0.184 0.000 0.692 51 G HN 0.453 nan 8.290 nan 0.000 0.492 52 K N 0.217 120.681 120.400 0.106 0.000 1.969 52 K HA -0.081 4.239 4.320 -0.000 0.000 0.216 52 K C 2.639 179.336 176.600 0.162 0.000 1.048 52 K CA 2.259 58.601 56.287 0.093 0.000 0.948 52 K CB -0.533 32.007 32.500 0.067 0.000 0.726 52 K HN 0.272 nan 8.250 nan 0.000 0.442 53 T N 2.305 116.958 114.554 0.165 0.000 2.624 53 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 53 T C 1.754 176.548 174.700 0.156 0.000 1.041 53 T CA 1.625 63.850 62.100 0.208 0.000 1.159 53 T CB -0.422 68.562 68.868 0.194 0.000 0.863 53 T HN 0.115 nan 8.240 nan 0.000 0.434 54 L N 0.740 122.032 121.223 0.115 0.000 1.990 54 L HA -0.059 4.281 4.340 -0.000 0.000 0.213 54 L C 2.082 178.951 176.870 -0.001 0.000 1.072 54 L CA 1.741 56.593 54.840 0.020 0.000 0.755 54 L CB -1.222 40.837 42.059 -0.001 0.000 0.889 54 L HN 0.275 nan 8.230 nan 0.000 0.432 55 F N 0.294 120.193 119.950 -0.085 0.000 2.091 55 F HA -0.318 4.209 4.527 -0.000 0.000 0.299 55 F C 2.686 178.452 175.800 -0.056 0.000 1.103 55 F CA 2.216 60.136 58.000 -0.133 0.000 1.228 55 F CB -0.503 38.387 39.000 -0.183 0.000 0.984 55 F HN 0.369 nan 8.300 nan 0.000 0.477 56 S N 0.466 116.292 115.700 0.211 0.000 2.368 56 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 56 S C 2.042 176.725 174.600 0.138 0.000 1.029 56 S CA 1.199 59.551 58.200 0.252 0.000 0.988 56 S CB -0.870 62.568 63.200 0.397 0.000 0.838 56 S HN 0.316 nan 8.310 nan 0.000 0.462 57 I N 2.380 122.928 120.570 -0.036 0.000 2.142 57 I HA -0.162 4.008 4.170 -0.000 0.000 0.240 57 I C 2.913 178.822 176.117 -0.347 0.000 1.078 57 I CA 1.537 62.665 61.300 -0.287 0.000 1.343 57 I CB -1.578 36.207 38.000 -0.359 0.000 1.046 57 I HN 0.448 nan 8.210 nan 0.000 0.405 58 Q N -0.075 119.514 119.800 -0.352 0.000 2.170 58 Q HA -0.251 4.089 4.340 -0.000 0.000 0.203 58 Q C 2.286 178.134 176.000 -0.253 0.000 0.976 58 Q CA 1.565 57.130 55.803 -0.398 0.000 0.858 58 Q CB -0.201 28.369 28.738 -0.279 0.000 0.907 58 Q HN 0.449 nan 8.270 nan 0.000 0.433 59 F N 0.279 119.987 119.950 -0.403 0.000 2.186 59 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 59 F C 1.453 177.140 175.800 -0.188 0.000 1.090 59 F CA 1.104 58.891 58.000 -0.355 0.000 1.307 59 F CB -0.167 38.580 39.000 -0.423 0.000 1.019 59 F HN 0.017 nan 8.300 nan 0.000 0.489 60 L N -1.116 119.873 121.223 -0.390 0.000 2.023 60 L HA -0.205 4.135 4.340 -0.000 0.000 0.205 60 L C 2.374 179.043 176.870 -0.335 0.000 1.073 60 L CA 1.555 56.137 54.840 -0.430 0.000 0.745 60 L CB -1.122 40.827 42.059 -0.184 0.000 0.900 60 L HN 0.180 nan 8.230 nan 0.000 0.435 61 Y N 1.816 121.853 120.300 -0.438 0.000 1.993 61 Y HA -0.390 4.160 4.550 -0.000 0.000 0.267 61 Y C 2.470 178.175 175.900 -0.325 0.000 1.155 61 Y CA 2.304 60.130 58.100 -0.456 0.000 1.105 61 Y CB -0.548 37.456 38.460 -0.760 0.000 0.960 61 Y HN 0.227 nan 8.280 nan 0.000 0.486 62 N N -0.087 118.467 118.700 -0.242 0.000 2.192 62 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 62 N C 1.970 177.383 175.510 -0.162 0.000 1.013 62 N CA 1.428 54.355 53.050 -0.205 0.000 0.863 62 N CB -1.014 37.443 38.487 -0.051 0.000 0.990 62 N HN 0.584 nan 8.380 nan 0.000 0.430 63 G N 0.703 109.394 108.800 -0.181 0.000 2.418 63 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 63 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 63 G C 1.515 176.368 174.900 -0.078 0.000 1.158 63 G CA 0.527 45.584 45.100 -0.072 0.000 0.771 63 G HN 0.255 nan 8.290 nan 0.000 0.545 64 I N 0.899 121.329 120.570 -0.233 0.000 2.094 64 I HA -0.106 4.064 4.170 -0.000 0.000 0.234 64 I C 2.152 178.105 176.117 -0.273 0.000 1.063 64 I CA 0.743 61.900 61.300 -0.237 0.000 1.328 64 I CB -0.184 37.637 38.000 -0.298 0.000 1.058 64 I HN 0.032 nan 8.210 nan 0.000 0.400 65 I N 0.739 121.042 120.570 -0.446 0.000 3.369 65 I HA -0.126 4.044 4.170 -0.000 0.000 0.288 65 I C 1.521 177.417 176.117 -0.367 0.000 1.321 65 I CA 1.343 62.386 61.300 -0.429 0.000 1.358 65 I CB -1.246 36.369 38.000 -0.641 0.000 1.038 65 I HN 0.418 nan 8.210 nan 0.000 0.516 66 E N -1.162 118.788 120.200 -0.418 0.000 2.568 66 E HA 0.161 4.510 4.350 -0.000 0.000 0.220 66 E C 0.615 176.590 176.600 -1.043 0.000 0.869 66 E CA 0.320 56.278 56.400 -0.737 0.000 1.268 66 E CB 0.683 29.821 29.700 -0.937 0.000 1.252 66 E HN 0.408 nan 8.360 nan 0.000 0.606 67 F N 0.003 119.884 119.950 -0.115 0.000 3.031 67 F HA 0.209 4.736 4.527 -0.000 0.000 0.365 67 F C -0.058 175.689 175.800 -0.089 0.000 1.128 67 F CA -0.512 57.436 58.000 -0.087 0.000 1.068 67 F CB 0.661 39.615 39.000 -0.078 0.000 1.280 67 F HN -0.214 nan 8.300 nan 0.000 0.529 68 D N 2.330 122.737 120.400 0.011 0.000 2.723 68 D HA -0.220 4.420 4.640 -0.000 0.000 0.236 68 D C -0.386 175.916 176.300 0.002 0.000 1.138 68 D CA 0.692 54.679 54.000 -0.021 0.000 0.676 68 D CB -0.621 40.168 40.800 -0.020 0.000 1.069 68 D HN 0.512 nan 8.370 nan 0.000 0.430 69 E N 0.580 120.783 120.200 0.006 0.000 2.035 69 E HA 0.323 4.673 4.350 -0.000 0.000 0.271 69 E C -2.261 174.301 176.600 -0.062 0.000 0.953 69 E CA -1.915 54.472 56.400 -0.022 0.000 0.777 69 E CB 0.978 30.656 29.700 -0.037 0.000 1.104 69 E HN 0.236 nan 8.360 nan 0.000 0.408 70 P HA -0.011 nan 4.420 nan 0.000 0.266 70 P C -0.202 177.066 177.300 -0.053 0.000 1.193 70 P CA 0.030 63.112 63.100 -0.031 0.000 0.770 70 P CB 0.732 32.450 31.700 0.030 0.000 0.836 71 G N 0.528 109.289 108.800 -0.065 0.000 2.563 71 G HA2 0.567 4.527 3.960 -0.000 0.000 0.302 71 G HA3 0.567 4.527 3.960 -0.000 0.000 0.302 71 G C -1.540 173.352 174.900 -0.013 0.000 1.301 71 G CA -0.528 44.536 45.100 -0.060 0.000 0.965 71 G HN 0.339 nan 8.290 nan 0.000 0.480 72 V N 1.083 121.016 119.914 0.031 0.000 2.513 72 V HA 0.566 4.686 4.120 -0.000 0.000 0.299 72 V C -1.142 174.994 176.094 0.069 0.000 1.035 72 V CA -0.685 61.642 62.300 0.044 0.000 0.889 72 V CB 1.596 33.469 31.823 0.084 0.000 0.988 72 V HN 0.632 nan 8.190 nan 0.000 0.440 73 F N 4.922 124.781 119.950 -0.152 0.000 2.382 73 F HA 0.640 5.166 4.527 -0.000 0.000 0.361 73 F C -0.251 175.435 175.800 -0.191 0.000 1.109 73 F CA -0.602 57.319 58.000 -0.130 0.000 1.031 73 F CB 1.343 40.267 39.000 -0.127 0.000 1.234 73 F HN 0.274 nan 8.300 nan 0.000 0.445 74 V N 4.691 124.256 119.914 -0.581 0.000 2.498 74 V HA 0.421 4.541 4.120 -0.000 0.000 0.279 74 V C 0.165 175.803 176.094 -0.759 0.000 1.048 74 V CA -0.320 61.648 62.300 -0.552 0.000 0.967 74 V CB 1.295 32.901 31.823 -0.361 0.000 0.988 74 V HN 0.772 nan 8.190 nan 0.000 0.473 75 T N 3.809 117.996 114.554 -0.612 0.000 2.848 75 T HA 0.589 4.939 4.350 -0.000 0.000 0.285 75 T C 0.041 174.468 174.700 -0.455 0.000 0.995 75 T CA -0.273 61.594 62.100 -0.388 0.000 0.970 75 T CB 0.814 69.642 68.868 -0.066 0.000 0.976 75 T HN 0.346 nan 8.240 nan 0.000 0.441 76 F N 1.968 121.846 119.950 -0.119 0.000 2.622 76 F HA 0.438 4.965 4.527 -0.000 0.000 0.288 76 F C 2.161 177.925 175.800 -0.060 0.000 1.120 76 F CA -0.134 57.808 58.000 -0.097 0.000 1.423 76 F CB 0.543 39.468 39.000 -0.126 0.000 1.127 76 F HN 0.562 nan 8.300 nan 0.000 0.588 77 E N -0.406 119.869 120.200 0.124 0.000 2.419 77 E HA 0.065 4.415 4.350 -0.000 0.000 0.197 77 E C 0.267 176.901 176.600 0.057 0.000 0.920 77 E CA -0.135 56.311 56.400 0.078 0.000 1.085 77 E CB 0.303 30.047 29.700 0.074 0.000 1.084 77 E HN 0.094 nan 8.360 nan 0.000 0.490 78 E N 1.584 121.830 120.200 0.078 0.000 2.414 78 E HA 0.015 4.365 4.350 -0.000 0.000 0.263 78 E C -0.780 175.855 176.600 0.058 0.000 1.000 78 E CA 0.196 56.642 56.400 0.077 0.000 0.914 78 E CB 0.986 30.757 29.700 0.117 0.000 0.948 78 E HN -0.028 nan 8.360 nan 0.000 0.444 79 T N 4.561 119.140 114.554 0.041 0.000 2.907 79 T HA 0.067 4.417 4.350 -0.000 0.000 0.298 79 T C -1.716 173.000 174.700 0.028 0.000 1.017 79 T CA -1.553 60.560 62.100 0.022 0.000 1.118 79 T CB 0.901 69.779 68.868 0.016 0.000 0.948 79 T HN 0.332 nan 8.240 nan 0.000 0.531 80 P HA -0.150 nan 4.420 nan 0.000 0.217 80 P C 1.526 178.830 177.300 0.006 0.000 1.148 80 P CA 0.918 64.023 63.100 0.008 0.000 0.828 80 P CB 0.213 31.904 31.700 -0.016 0.000 0.783 81 Q N -0.200 119.605 119.800 0.009 0.000 2.020 81 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 81 Q C 1.795 177.802 176.000 0.013 0.000 0.982 81 Q CA 1.482 57.291 55.803 0.010 0.000 0.838 81 Q CB -1.638 27.107 28.738 0.011 0.000 0.899 81 Q HN 0.357 nan 8.270 nan 0.000 0.423 82 D N 0.693 121.103 120.400 0.018 0.000 2.092 82 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 82 D C 2.141 178.456 176.300 0.025 0.000 0.994 82 D CA 0.929 54.944 54.000 0.024 0.000 0.828 82 D CB -0.211 40.609 40.800 0.033 0.000 0.963 82 D HN 0.159 nan 8.370 nan 0.000 0.450 83 I N 1.276 121.858 120.570 0.020 0.000 2.236 83 I HA -0.271 3.899 4.170 -0.000 0.000 0.249 83 I C 2.460 178.559 176.117 -0.031 0.000 1.102 83 I CA 1.014 62.302 61.300 -0.020 0.000 1.365 83 I CB -0.193 37.764 38.000 -0.073 0.000 1.051 83 I HN 0.056 nan 8.210 nan 0.000 0.420 84 I N -0.549 120.011 120.570 -0.016 0.000 2.500 84 I HA -0.215 3.955 4.170 -0.000 0.000 0.252 84 I C 2.438 178.577 176.117 0.035 0.000 1.142 84 I CA 0.713 62.015 61.300 0.003 0.000 1.451 84 I CB -0.335 37.667 38.000 0.003 0.000 1.093 84 I HN 0.153 nan 8.210 nan 0.000 0.430 85 K N 1.974 122.389 120.400 0.025 0.000 1.973 85 K HA -0.179 4.141 4.320 -0.000 0.000 0.212 85 K C 1.817 178.431 176.600 0.023 0.000 1.047 85 K CA 1.911 58.209 56.287 0.019 0.000 0.937 85 K CB -0.328 32.178 32.500 0.011 0.000 0.721 85 K HN 0.132 nan 8.250 nan 0.000 0.440 86 N N 0.762 119.484 118.700 0.037 0.000 2.061 86 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 86 N C 1.713 177.297 175.510 0.123 0.000 1.030 86 N CA 1.704 54.785 53.050 0.052 0.000 0.856 86 N CB -0.857 37.687 38.487 0.094 0.000 1.023 86 N HN 0.396 nan 8.380 nan 0.000 0.424 87 A N 1.696 124.653 122.820 0.228 0.000 1.997 87 A HA -0.199 4.121 4.320 -0.000 0.000 0.221 87 A C 2.210 179.980 177.584 0.309 0.000 1.172 87 A CA 1.382 53.718 52.037 0.499 0.000 0.645 87 A CB -0.521 18.701 19.000 0.370 0.000 0.813 87 A HN 0.306 nan 8.150 nan 0.000 0.454 88 R N -0.714 119.846 120.500 0.101 0.000 2.091 88 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 88 R C 2.546 178.716 176.300 -0.217 0.000 1.136 88 R CA 1.373 57.457 56.100 -0.027 0.000 0.959 88 R CB -0.614 29.669 30.300 -0.028 0.000 0.856 88 R HN 0.580 nan 8.270 nan 0.000 0.437 89 S N 0.613 116.121 115.700 -0.319 0.000 2.409 89 S HA -0.186 4.284 4.470 -0.000 0.000 0.237 89 S C 1.210 175.318 174.600 -0.821 0.000 1.060 89 S CA 1.474 59.313 58.200 -0.600 0.000 1.052 89 S CB -0.199 62.491 63.200 -0.850 0.000 0.871 89 S HN 0.351 nan 8.310 nan 0.000 0.465 90 F N 1.224 120.825 119.950 -0.582 0.000 2.645 90 F HA 0.419 4.946 4.527 -0.000 0.000 0.300 90 F C 1.546 176.752 175.800 -0.991 0.000 1.115 90 F CA 0.008 57.431 58.000 -0.962 0.000 1.355 90 F CB -0.326 37.701 39.000 -1.622 0.000 1.026 90 F HN 0.261 nan 8.300 nan 0.000 0.536 91 G N 0.884 109.404 108.800 -0.467 0.000 2.359 91 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.298 91 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.298 91 G C -0.874 173.993 174.900 -0.055 0.000 1.030 91 G CA 0.060 45.031 45.100 -0.216 0.000 1.149 91 G HN 0.523 nan 8.290 nan 0.000 0.512 92 W N -0.380 120.897 121.300 -0.039 0.000 3.615 92 W HA 0.637 5.297 4.660 -0.000 0.000 0.319 92 W C -1.216 175.268 176.519 -0.059 0.000 1.172 92 W CA -3.124 54.165 57.345 -0.093 0.000 1.240 92 W CB 0.505 29.661 29.460 -0.506 0.000 1.313 92 W HN 0.089 nan 8.180 nan 0.000 0.487 93 D N 3.262 123.826 120.400 0.274 0.000 2.380 93 D HA 0.299 4.939 4.640 -0.000 0.000 0.230 93 D C 0.685 177.068 176.300 0.138 0.000 1.154 93 D CA -0.118 53.985 54.000 0.172 0.000 0.859 93 D CB 1.092 41.967 40.800 0.126 0.000 1.045 93 D HN 0.542 nan 8.370 nan 0.000 0.495 94 L N 2.997 124.268 121.223 0.080 0.000 2.127 94 L HA 0.040 4.380 4.340 -0.000 0.000 0.203 94 L C 2.426 179.313 176.870 0.028 0.000 1.080 94 L CA 0.625 55.478 54.840 0.022 0.000 0.768 94 L CB -0.438 41.586 42.059 -0.058 0.000 0.924 94 L HN 0.424 nan 8.230 nan 0.000 0.444 95 A N 0.805 123.645 122.820 0.034 0.000 1.958 95 A HA -0.309 4.011 4.320 -0.000 0.000 0.221 95 A C 2.416 180.026 177.584 0.043 0.000 1.178 95 A CA 2.379 54.437 52.037 0.035 0.000 0.642 95 A CB -0.561 18.461 19.000 0.036 0.000 0.816 95 A HN 0.397 nan 8.150 nan 0.000 0.453 96 K N -0.332 120.099 120.400 0.052 0.000 2.057 96 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 96 K C 1.844 178.471 176.600 0.045 0.000 1.050 96 K CA 1.326 57.644 56.287 0.051 0.000 0.935 96 K CB -0.292 32.243 32.500 0.059 0.000 0.715 96 K HN 0.498 nan 8.250 nan 0.000 0.439 97 L N 0.809 122.057 121.223 0.043 0.000 2.141 97 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 97 L C 2.347 179.234 176.870 0.029 0.000 1.094 97 L CA 0.474 55.328 54.840 0.024 0.000 0.763 97 L CB -0.202 41.863 42.059 0.010 0.000 0.908 97 L HN 0.013 nan 8.230 nan 0.000 0.437 98 V N -0.305 119.630 119.914 0.035 0.000 2.427 98 V HA -0.280 3.839 4.120 -0.000 0.000 0.248 98 V C 1.961 178.107 176.094 0.088 0.000 1.051 98 V CA 1.918 64.252 62.300 0.057 0.000 1.048 98 V CB -0.396 31.461 31.823 0.056 0.000 0.666 98 V HN 0.384 nan 8.190 nan 0.000 0.456 99 D N 0.304 120.746 120.400 0.070 0.000 2.117 99 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 99 D C 1.871 178.214 176.300 0.072 0.000 0.987 99 D CA 1.175 55.217 54.000 0.070 0.000 0.829 99 D CB -0.047 40.784 40.800 0.052 0.000 0.961 99 D HN 0.616 nan 8.370 nan 0.000 0.460 100 E N -0.678 119.559 120.200 0.062 0.000 2.403 100 E HA 0.253 4.603 4.350 -0.000 0.000 0.188 100 E C 0.930 177.581 176.600 0.084 0.000 1.056 100 E CA 0.232 56.665 56.400 0.056 0.000 0.892 100 E CB 0.318 30.037 29.700 0.032 0.000 1.049 100 E HN 0.196 nan 8.360 nan 0.000 0.465 101 G N 2.330 111.217 108.800 0.145 0.000 2.305 101 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.287 101 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.287 101 G C 0.839 175.859 174.900 0.200 0.000 1.036 101 G CA 0.515 45.781 45.100 0.277 0.000 0.887 101 G HN 0.105 nan 8.290 nan 0.000 0.505 102 K N -1.622 118.824 120.400 0.077 0.000 2.370 102 K HA 0.349 4.669 4.320 -0.000 0.000 0.194 102 K C 0.729 177.312 176.600 -0.028 0.000 1.070 102 K CA 0.279 56.578 56.287 0.020 0.000 0.998 102 K CB 0.516 33.004 32.500 -0.020 0.000 0.911 102 K HN 0.603 nan 8.250 nan 0.000 0.533 103 L N -0.157 121.040 121.223 -0.044 0.000 2.401 103 L HA 0.578 4.918 4.340 -0.000 0.000 0.266 103 L C -1.756 175.060 176.870 -0.089 0.000 0.991 103 L CA -0.879 53.920 54.840 -0.068 0.000 0.818 103 L CB 1.811 43.835 42.059 -0.058 0.000 1.321 103 L HN -0.076 nan 8.230 nan 0.000 0.413 104 F N 5.784 125.540 119.950 -0.323 0.000 2.612 104 F HA 0.578 5.104 4.527 -0.000 0.000 0.332 104 F C -1.208 174.499 175.800 -0.155 0.000 1.167 104 F CA -1.164 56.591 58.000 -0.407 0.000 0.970 104 F CB 1.023 39.510 39.000 -0.856 0.000 1.234 104 F HN 0.365 nan 8.300 nan 0.000 0.453 105 I N 7.327 127.637 120.570 -0.433 0.000 2.308 105 I HA 0.134 4.304 4.170 -0.000 0.000 0.293 105 I C -0.659 174.998 176.117 -0.766 0.000 1.078 105 I CA -0.667 60.392 61.300 -0.401 0.000 1.292 105 I CB 0.927 38.848 38.000 -0.131 0.000 1.423 105 I HN 0.425 nan 8.210 nan 0.000 0.493 106 L N 7.645 128.405 121.223 -0.772 0.000 2.268 106 L HA 0.284 4.624 4.340 -0.000 0.000 0.289 106 L C 0.034 176.660 176.870 -0.408 0.000 1.064 106 L CA 0.104 54.540 54.840 -0.673 0.000 0.824 106 L CB 0.463 42.217 42.059 -0.509 0.000 1.202 106 L HN 0.411 nan 8.230 nan 0.000 0.433 107 D N 4.271 124.490 120.400 -0.303 0.000 2.339 107 D HA 0.272 4.912 4.640 -0.000 0.000 0.256 107 D C 0.227 176.368 176.300 -0.266 0.000 1.214 107 D CA 0.356 54.214 54.000 -0.238 0.000 0.877 107 D CB 1.706 42.423 40.800 -0.138 0.000 1.111 107 D HN 0.725 nan 8.370 nan 0.000 0.478 108 A N 3.066 125.644 122.820 -0.403 0.000 2.508 108 A HA 0.135 4.454 4.320 -0.000 0.000 0.257 108 A C 0.822 178.253 177.584 -0.256 0.000 1.226 108 A CA -0.216 51.562 52.037 -0.433 0.000 0.947 108 A CB -0.043 18.383 19.000 -0.958 0.000 1.079 108 A HN 0.511 nan 8.150 nan 0.000 0.531 109 S N 0.967 116.557 115.700 -0.183 0.000 2.568 109 S HA 0.425 4.895 4.470 -0.000 0.000 0.282 109 S C -2.478 172.109 174.600 -0.022 0.000 1.338 109 S CA -0.682 57.484 58.200 -0.057 0.000 1.045 109 S CB 0.138 63.314 63.200 -0.041 0.000 0.873 109 S HN 0.174 nan 8.310 nan 0.000 0.516 110 P HA 0.321 nan 4.420 nan 0.000 0.276 110 P C -0.742 176.561 177.300 0.006 0.000 1.252 110 P CA -0.628 62.479 63.100 0.012 0.000 0.802 110 P CB 0.462 32.173 31.700 0.019 0.000 1.035 111 D N 0.942 121.347 120.400 0.008 0.000 2.264 111 D HA 0.125 4.765 4.640 -0.000 0.000 0.249 111 D C -1.768 174.537 176.300 0.009 0.000 1.070 111 D CA -1.895 52.109 54.000 0.007 0.000 0.912 111 D CB 0.823 41.627 40.800 0.007 0.000 1.193 111 D HN 0.094 nan 8.370 nan 0.000 0.427 112 P HA 0.035 nan 4.420 nan 0.000 0.296 112 P C -0.857 176.449 177.300 0.011 0.000 1.447 112 P CA 0.641 63.746 63.100 0.010 0.000 0.750 112 P CB 0.053 31.758 31.700 0.009 0.000 1.451 113 E N -0.364 119.843 120.200 0.012 0.000 3.284 113 E HA 0.218 4.568 4.350 -0.000 0.000 0.277 113 E C 0.524 177.134 176.600 0.017 0.000 1.218 113 E CA -0.312 56.096 56.400 0.014 0.000 0.925 113 E CB 0.708 30.416 29.700 0.013 0.000 1.409 113 E HN 0.052 nan 8.360 nan 0.000 0.388 114 G N 0.970 109.781 108.800 0.018 0.000 2.664 114 G HA2 0.266 4.226 3.960 -0.000 0.000 0.242 114 G HA3 0.266 4.226 3.960 -0.000 0.000 0.242 114 G C 0.125 175.043 174.900 0.030 0.000 1.225 114 G CA 0.206 45.319 45.100 0.022 0.000 0.849 114 G HN 0.194 nan 8.290 nan 0.000 0.581 115 Q N -1.234 118.590 119.800 0.039 0.000 2.857 115 Q HA 0.400 4.740 4.340 -0.000 0.000 0.319 115 Q C -0.826 175.216 176.000 0.070 0.000 0.963 115 Q CA -0.865 54.969 55.803 0.053 0.000 0.770 115 Q CB 1.717 30.488 28.738 0.055 0.000 1.492 115 Q HN 0.438 nan 8.270 nan 0.000 0.493 116 E N 0.063 120.320 120.200 0.095 0.000 2.239 116 E HA 0.383 4.733 4.350 -0.000 0.000 0.261 116 E C -0.832 175.869 176.600 0.167 0.000 1.016 116 E CA -0.669 55.810 56.400 0.132 0.000 0.882 116 E CB 1.529 31.311 29.700 0.137 0.000 1.190 116 E HN 0.442 nan 8.360 nan 0.000 0.415 117 V N 0.436 120.484 119.914 0.223 0.000 4.034 117 V HA -0.211 3.909 4.120 -0.000 0.000 0.509 117 V C -0.099 176.072 176.094 0.128 0.000 0.683 117 V CA 0.997 63.433 62.300 0.226 0.000 1.996 117 V CB -1.451 30.472 31.823 0.168 0.000 2.378 117 V HN 0.487 nan 8.190 nan 0.000 0.510 118 V N 1.582 121.518 119.914 0.037 0.000 2.791 118 V HA 0.775 4.895 4.120 -0.000 0.000 0.258 118 V C 0.560 176.569 176.094 -0.141 0.000 0.875 118 V CA 0.281 62.523 62.300 -0.096 0.000 0.922 118 V CB 1.060 32.910 31.823 0.044 0.000 1.034 118 V HN 1.179 nan 8.190 nan 0.000 0.492 119 G N -0.143 108.513 108.800 -0.239 0.000 3.829 119 G HA2 0.578 4.538 3.960 -0.000 0.000 0.279 119 G HA3 0.578 4.538 3.960 -0.000 0.000 0.279 119 G C 0.487 175.284 174.900 -0.172 0.000 1.008 119 G CA 0.668 45.694 45.100 -0.124 0.000 0.840 119 G HN 1.024 nan 8.290 nan 0.000 0.474 120 G N 0.936 109.518 108.800 -0.364 0.000 2.522 120 G HA2 0.288 4.248 3.960 -0.000 0.000 0.177 120 G HA3 0.288 4.248 3.960 -0.000 0.000 0.177 120 G C 1.256 176.065 174.900 -0.152 0.000 1.298 120 G CA 0.531 45.488 45.100 -0.238 0.000 0.670 120 G HN 0.306 nan 8.290 nan 0.000 0.664 121 F N 2.763 122.741 119.950 0.045 0.000 2.546 121 F HA 0.107 4.634 4.527 -0.000 0.000 0.298 121 F C 1.779 177.603 175.800 0.040 0.000 1.120 121 F CA 0.769 58.792 58.000 0.039 0.000 1.456 121 F CB -0.542 38.477 39.000 0.033 0.000 1.088 121 F HN 0.248 nan 8.300 nan 0.000 0.572 122 D N 0.547 121.086 120.400 0.231 0.000 2.216 122 D HA -0.108 4.532 4.640 -0.000 0.000 0.208 122 D C 2.060 178.435 176.300 0.125 0.000 0.960 122 D CA 0.366 54.508 54.000 0.237 0.000 0.861 122 D CB -0.777 40.114 40.800 0.153 0.000 0.985 122 D HN 0.309 nan 8.370 nan 0.000 0.493 123 L N 1.926 123.185 121.223 0.059 0.000 2.012 123 L HA -0.156 4.183 4.340 -0.000 0.000 0.210 123 L C 2.323 179.241 176.870 0.081 0.000 1.073 123 L CA 2.195 57.072 54.840 0.062 0.000 0.748 123 L CB -1.018 41.064 42.059 0.038 0.000 0.891 123 L HN 0.161 nan 8.230 nan 0.000 0.431 124 S N -0.470 115.283 115.700 0.089 0.000 2.406 124 S HA -0.028 4.442 4.470 -0.000 0.000 0.228 124 S C 2.118 176.777 174.600 0.097 0.000 1.020 124 S CA 0.717 58.971 58.200 0.090 0.000 0.965 124 S CB -0.499 62.757 63.200 0.093 0.000 0.798 124 S HN 0.449 nan 8.310 nan 0.000 0.488 125 A N 1.640 124.532 122.820 0.119 0.000 2.015 125 A HA 0.129 4.449 4.320 -0.000 0.000 0.219 125 A C 2.137 179.771 177.584 0.085 0.000 1.163 125 A CA 1.256 53.353 52.037 0.101 0.000 0.646 125 A CB -0.658 18.415 19.000 0.121 0.000 0.806 125 A HN 0.469 nan 8.150 nan 0.000 0.448 126 L N -0.292 120.987 121.223 0.094 0.000 2.072 126 L HA -0.052 4.288 4.340 -0.000 0.000 0.205 126 L C 2.064 178.985 176.870 0.085 0.000 1.079 126 L CA 1.533 56.425 54.840 0.085 0.000 0.752 126 L CB -0.277 41.853 42.059 0.118 0.000 0.906 126 L HN 0.312 nan 8.230 nan 0.000 0.436 127 I N -0.315 120.306 120.570 0.086 0.000 2.252 127 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 127 I C 2.450 178.625 176.117 0.095 0.000 1.102 127 I CA 1.213 62.562 61.300 0.082 0.000 1.385 127 I CB -1.063 36.977 38.000 0.066 0.000 1.064 127 I HN 0.410 nan 8.210 nan 0.000 0.414 128 E N 0.635 120.891 120.200 0.094 0.000 2.070 128 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 128 E C 2.374 179.065 176.600 0.153 0.000 1.004 128 E CA 1.474 57.938 56.400 0.107 0.000 0.805 128 E CB 0.030 29.778 29.700 0.081 0.000 0.744 128 E HN 0.411 nan 8.360 nan 0.000 0.451 129 R N 0.187 120.765 120.500 0.129 0.000 2.070 129 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 129 R C 2.517 178.971 176.300 0.256 0.000 1.147 129 R CA 1.450 57.653 56.100 0.171 0.000 0.924 129 R CB -0.528 29.833 30.300 0.103 0.000 0.827 129 R HN 0.159 nan 8.270 nan 0.000 0.431 130 I N 1.525 122.200 120.570 0.174 0.000 2.143 130 I HA -0.403 3.767 4.170 -0.000 0.000 0.245 130 I C 2.342 178.565 176.117 0.178 0.000 1.068 130 I CA 1.752 63.151 61.300 0.165 0.000 1.326 130 I CB -0.582 37.477 38.000 0.098 0.000 1.028 130 I HN 0.305 nan 8.210 nan 0.000 0.412 131 N N 0.585 119.376 118.700 0.151 0.000 2.084 131 N HA -0.287 4.453 4.740 -0.000 0.000 0.190 131 N C 1.968 177.556 175.510 0.130 0.000 1.030 131 N CA 1.642 54.764 53.050 0.119 0.000 0.849 131 N CB -0.503 38.042 38.487 0.098 0.000 1.012 131 N HN 0.433 nan 8.380 nan 0.000 0.423 132 Y N 0.754 121.099 120.300 0.074 0.000 2.053 132 Y HA -0.233 4.317 4.550 -0.000 0.000 0.277 132 Y C 2.348 178.298 175.900 0.083 0.000 1.159 132 Y CA 2.604 60.741 58.100 0.062 0.000 1.125 132 Y CB -0.948 37.550 38.460 0.064 0.000 0.969 132 Y HN 0.180 nan 8.280 nan 0.000 0.492 133 A N 0.666 123.691 122.820 0.340 0.000 1.892 133 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 133 A C 2.339 180.057 177.584 0.223 0.000 1.188 133 A CA 2.233 54.471 52.037 0.336 0.000 0.631 133 A CB -1.316 18.057 19.000 0.622 0.000 0.822 133 A HN 0.647 nan 8.150 nan 0.000 0.447 134 I N -0.874 119.792 120.570 0.161 0.000 2.208 134 I HA -0.351 3.819 4.170 -0.000 0.000 0.245 134 I C 2.882 179.018 176.117 0.031 0.000 1.097 134 I CA 1.880 63.240 61.300 0.101 0.000 1.363 134 I CB -0.459 37.588 38.000 0.078 0.000 1.051 134 I HN 0.485 nan 8.210 nan 0.000 0.413 135 Q N 0.417 120.189 119.800 -0.047 0.000 2.046 135 Q HA -0.242 4.098 4.340 -0.000 0.000 0.200 135 Q C 2.271 178.155 176.000 -0.193 0.000 0.975 135 Q CA 1.534 57.265 55.803 -0.120 0.000 0.836 135 Q CB -0.077 28.565 28.738 -0.161 0.000 0.896 135 Q HN 0.359 nan 8.270 nan 0.000 0.428 136 K N 0.071 120.272 120.400 -0.331 0.000 1.991 136 K HA -0.200 4.120 4.320 -0.000 0.000 0.212 136 K C 1.486 177.855 176.600 -0.386 0.000 1.049 136 K CA 1.658 57.669 56.287 -0.459 0.000 0.932 136 K CB -0.128 31.949 32.500 -0.705 0.000 0.717 136 K HN 0.191 nan 8.250 nan 0.000 0.441 137 Y N 0.000 120.194 120.300 -0.177 0.000 2.511 137 Y HA 0.204 4.754 4.550 -0.000 0.000 0.279 137 Y C 0.103 175.958 175.900 -0.074 0.000 1.157 137 Y CA 0.311 58.344 58.100 -0.111 0.000 1.300 137 Y CB 0.253 38.666 38.460 -0.079 0.000 1.052 137 Y HN 0.085 nan 8.280 nan 0.000 0.529 138 R N -0.437 120.097 120.500 0.055 0.000 3.322 138 R HA -0.140 4.200 4.340 -0.000 0.000 0.266 138 R C -0.118 176.207 176.300 0.042 0.000 1.072 138 R CA 0.237 56.350 56.100 0.022 0.000 0.715 138 R CB -1.831 28.467 30.300 -0.003 0.000 1.199 138 R HN 0.271 nan 8.270 nan 0.000 0.421 139 A N 0.726 123.586 122.820 0.065 0.000 2.425 139 A HA 0.358 4.678 4.320 -0.000 0.000 0.249 139 A C 1.091 178.686 177.584 0.018 0.000 1.084 139 A CA -0.217 51.846 52.037 0.043 0.000 0.781 139 A CB 0.422 19.459 19.000 0.062 0.000 1.019 139 A HN 0.341 nan 8.150 nan 0.000 0.490 140 R N 0.676 121.171 120.500 -0.008 0.000 2.307 140 R HA 0.149 4.489 4.340 -0.000 0.000 0.200 140 R C 0.023 176.317 176.300 -0.011 0.000 0.893 140 R CA 0.551 56.641 56.100 -0.015 0.000 1.042 140 R CB 0.226 30.502 30.300 -0.040 0.000 1.059 140 R HN 0.774 nan 8.270 nan 0.000 0.530 141 R N 0.196 120.676 120.500 -0.034 0.000 2.795 141 R HA 0.638 4.978 4.340 -0.000 0.000 0.275 141 R C -0.936 175.390 176.300 0.045 0.000 0.981 141 R CA -0.767 55.323 56.100 -0.017 0.000 0.917 141 R CB 2.780 32.901 30.300 -0.298 0.000 1.202 141 R HN -0.245 nan 8.270 nan 0.000 0.469 142 V N 0.418 120.424 119.914 0.153 0.000 3.007 142 V HA 0.544 4.664 4.120 -0.000 0.000 0.311 142 V C -0.656 175.565 176.094 0.210 0.000 1.120 142 V CA -0.832 61.548 62.300 0.133 0.000 0.980 142 V CB 2.416 34.296 31.823 0.094 0.000 1.033 142 V HN 0.784 nan 8.190 nan 0.000 0.429 143 S N 3.193 118.973 115.700 0.133 0.000 2.736 143 S HA 0.631 5.101 4.470 -0.000 0.000 0.285 143 S C -0.787 173.710 174.600 -0.173 0.000 1.163 143 S CA -0.347 57.928 58.200 0.125 0.000 1.025 143 S CB 1.016 64.444 63.200 0.381 0.000 1.030 143 S HN 0.551 nan 8.310 nan 0.000 0.486 144 I N 2.474 122.985 120.570 -0.099 0.000 2.312 144 I HA 0.307 4.477 4.170 -0.000 0.000 0.290 144 I C -0.462 175.597 176.117 -0.097 0.000 1.008 144 I CA -0.596 60.635 61.300 -0.115 0.000 1.226 144 I CB 1.109 39.135 38.000 0.043 0.000 1.371 144 I HN 0.415 nan 8.210 nan 0.000 0.468 145 D N 6.011 126.298 120.400 -0.189 0.000 2.347 145 D HA 0.181 4.821 4.640 -0.000 0.000 0.235 145 D C 0.204 176.555 176.300 0.086 0.000 1.149 145 D CA 0.384 54.368 54.000 -0.028 0.000 0.850 145 D CB 0.641 41.433 40.800 -0.013 0.000 1.061 145 D HN 0.685 nan 8.370 nan 0.000 0.487 146 S N 1.475 117.191 115.700 0.027 0.000 3.783 146 S HA -0.194 4.276 4.470 -0.000 0.000 0.497 146 S C 0.953 175.415 174.600 -0.229 0.000 0.804 146 S CA 0.393 58.572 58.200 -0.036 0.000 1.361 146 S CB -2.512 60.691 63.200 0.006 0.000 0.873 146 S HN 0.718 nan 8.310 nan 0.000 0.671 147 V N -0.737 119.018 119.914 -0.265 0.000 2.913 147 V HA -0.081 4.039 4.120 -0.000 0.000 0.260 147 V C 2.364 178.097 176.094 -0.602 0.000 1.098 147 V CA 1.892 63.864 62.300 -0.548 0.000 1.121 147 V CB -1.653 30.032 31.823 -0.230 0.000 0.714 147 V HN 0.813 nan 8.190 nan 0.000 0.487 148 T N 2.365 116.803 114.554 -0.195 0.000 2.635 148 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 148 T C 2.131 176.740 174.700 -0.152 0.000 1.040 148 T CA 2.615 64.729 62.100 0.023 0.000 1.156 148 T CB -0.694 68.228 68.868 0.090 0.000 0.863 148 T HN 0.909 nan 8.240 nan 0.000 0.430 149 S N 1.064 116.639 115.700 -0.210 0.000 2.440 149 S HA -0.089 4.381 4.470 -0.000 0.000 0.240 149 S C 2.074 176.492 174.600 -0.304 0.000 1.014 149 S CA 0.959 59.052 58.200 -0.180 0.000 0.980 149 S CB -0.900 62.237 63.200 -0.105 0.000 0.775 149 S HN 0.280 nan 8.310 nan 0.000 0.499 150 V N 1.004 120.537 119.914 -0.635 0.000 2.379 150 V HA -0.017 4.103 4.120 -0.000 0.000 0.245 150 V C 1.836 177.622 176.094 -0.513 0.000 1.044 150 V CA 1.685 63.582 62.300 -0.672 0.000 1.036 150 V CB -0.641 30.588 31.823 -0.990 0.000 0.664 150 V HN 0.662 nan 8.190 nan 0.000 0.453 151 F N -1.204 118.664 119.950 -0.136 0.000 2.615 151 F HA 0.176 4.702 4.527 -0.000 0.000 0.297 151 F C 1.900 177.665 175.800 -0.057 0.000 1.124 151 F CA 0.072 58.001 58.000 -0.119 0.000 1.451 151 F CB -0.555 38.333 39.000 -0.188 0.000 1.103 151 F HN 0.043 nan 8.300 nan 0.000 0.569 152 Q N 1.745 121.613 119.800 0.113 0.000 2.294 152 Q HA -0.061 4.279 4.340 -0.000 0.000 0.207 152 Q C 1.017 176.992 176.000 -0.042 0.000 0.887 152 Q CA 0.568 56.432 55.803 0.102 0.000 0.987 152 Q CB -0.310 28.466 28.738 0.064 0.000 1.101 152 Q HN 0.662 nan 8.270 nan 0.000 0.447 153 Q N -0.633 119.064 119.800 -0.171 0.000 2.423 153 Q HA -0.001 4.339 4.340 -0.000 0.000 0.231 153 Q C -0.465 175.233 176.000 -0.503 0.000 0.894 153 Q CA 0.420 55.940 55.803 -0.472 0.000 0.938 153 Q CB 0.917 29.147 28.738 -0.847 0.000 1.079 153 Q HN 0.505 nan 8.270 nan 0.000 0.552 154 Y N -2.064 118.279 120.300 0.072 0.000 3.501 154 Y HA 0.283 4.833 4.550 -0.000 0.000 0.177 154 Y C -1.668 174.263 175.900 0.052 0.000 0.533 154 Y CA -1.590 56.546 58.100 0.060 0.000 1.060 154 Y CB -1.665 36.818 38.460 0.038 0.000 1.117 154 Y HN -0.160 nan 8.280 nan 0.000 0.560 155 D N 1.581 122.162 120.400 0.302 0.000 2.449 155 D HA 0.904 5.544 4.640 -0.000 0.000 0.250 155 D C -0.371 175.984 176.300 0.092 0.000 1.050 155 D CA -0.208 53.894 54.000 0.170 0.000 1.024 155 D CB 1.848 42.692 40.800 0.074 0.000 1.218 155 D HN 0.553 nan 8.370 nan 0.000 0.566 156 A N -0.344 122.469 122.820 -0.012 0.000 2.413 156 A HA 0.550 4.870 4.320 -0.000 0.000 0.307 156 A C 1.139 178.650 177.584 -0.123 0.000 1.087 156 A CA -0.077 51.958 52.037 -0.003 0.000 0.750 156 A CB 1.268 20.275 19.000 0.012 0.000 1.296 156 A HN 0.575 nan 8.150 nan 0.000 0.423 157 S N 1.519 117.195 115.700 -0.040 0.000 2.412 157 S HA -0.340 4.130 4.470 -0.000 0.000 0.246 157 S C 2.097 176.607 174.600 -0.150 0.000 1.073 157 S CA 2.943 61.094 58.200 -0.081 0.000 1.186 157 S CB -1.475 61.746 63.200 0.035 0.000 1.084 157 S HN 2.071 nan 8.310 nan 0.000 0.434 158 S N 1.683 117.325 115.700 -0.097 0.000 2.374 158 S HA -0.098 4.372 4.470 -0.000 0.000 0.227 158 S C 1.889 176.412 174.600 -0.129 0.000 1.037 158 S CA 1.427 59.567 58.200 -0.100 0.000 1.024 158 S CB -1.230 61.927 63.200 -0.072 0.000 0.861 158 S HN 0.507 nan 8.310 nan 0.000 0.456 159 V N 1.482 121.312 119.914 -0.139 0.000 2.548 159 V HA -0.069 4.051 4.120 -0.000 0.000 0.249 159 V C 2.646 178.597 176.094 -0.238 0.000 1.055 159 V CA 1.354 63.571 62.300 -0.138 0.000 1.065 159 V CB -0.698 31.067 31.823 -0.096 0.000 0.681 159 V HN 0.464 nan 8.190 nan 0.000 0.462 160 V N 0.180 119.853 119.914 -0.401 0.000 2.307 160 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 160 V C 2.558 178.351 176.094 -0.503 0.000 1.045 160 V CA 2.334 64.196 62.300 -0.730 0.000 1.024 160 V CB -0.764 30.401 31.823 -1.097 0.000 0.651 160 V HN 0.497 nan 8.190 nan 0.000 0.449 161 R N -0.082 120.241 120.500 -0.294 0.000 2.103 161 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 161 R C 2.501 178.760 176.300 -0.070 0.000 1.142 161 R CA 1.922 57.934 56.100 -0.146 0.000 0.960 161 R CB -0.230 30.013 30.300 -0.095 0.000 0.858 161 R HN 0.385 nan 8.270 nan 0.000 0.439 162 R N -0.121 120.331 120.500 -0.080 0.000 2.062 162 R HA -0.071 4.269 4.340 -0.000 0.000 0.229 162 R C 2.171 178.510 176.300 0.065 0.000 1.128 162 R CA 1.367 57.474 56.100 0.012 0.000 0.960 162 R CB -0.045 30.242 30.300 -0.021 0.000 0.855 162 R HN 0.241 nan 8.270 nan 0.000 0.432 163 E N 0.915 121.103 120.200 -0.020 0.000 2.097 163 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 163 E C 2.024 178.671 176.600 0.078 0.000 1.000 163 E CA 0.996 57.420 56.400 0.039 0.000 0.804 163 E CB -0.266 29.469 29.700 0.058 0.000 0.740 163 E HN 0.354 nan 8.360 nan 0.000 0.454 164 L N -0.085 121.140 121.223 0.003 0.000 2.017 164 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 164 L C 2.490 179.415 176.870 0.091 0.000 1.073 164 L CA 1.180 56.055 54.840 0.057 0.000 0.745 164 L CB -0.352 41.699 42.059 -0.014 0.000 0.894 164 L HN 0.077 nan 8.230 nan 0.000 0.432 165 F N 1.017 120.954 119.950 -0.023 0.000 2.115 165 F HA -0.329 4.198 4.527 -0.000 0.000 0.300 165 F C 2.801 178.606 175.800 0.009 0.000 1.092 165 F CA 2.159 60.156 58.000 -0.005 0.000 1.245 165 F CB -0.397 38.594 39.000 -0.014 0.000 0.995 165 F HN 0.013 nan 8.300 nan 0.000 0.481 166 R N 0.011 120.532 120.500 0.036 0.000 2.080 166 R HA -0.202 4.138 4.340 -0.000 0.000 0.236 166 R C 2.285 178.536 176.300 -0.081 0.000 1.137 166 R CA 1.929 58.004 56.100 -0.041 0.000 0.943 166 R CB -0.843 29.491 30.300 0.056 0.000 0.846 166 R HN 0.425 nan 8.270 nan 0.000 0.431 167 L N 0.805 122.018 121.223 -0.016 0.000 2.012 167 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 167 L C 2.202 179.045 176.870 -0.046 0.000 1.073 167 L CA 1.573 56.411 54.840 -0.003 0.000 0.748 167 L CB -0.604 41.482 42.059 0.044 0.000 0.891 167 L HN 0.064 nan 8.230 nan 0.000 0.431 168 V N 0.037 119.904 119.914 -0.079 0.000 2.287 168 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 168 V C 2.776 178.774 176.094 -0.160 0.000 1.053 168 V CA 1.729 63.969 62.300 -0.101 0.000 1.027 168 V CB -1.335 30.428 31.823 -0.100 0.000 0.646 168 V HN 0.637 nan 8.190 nan 0.000 0.447 169 A N -0.149 122.494 122.820 -0.296 0.000 1.845 169 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 169 A C 2.342 179.838 177.584 -0.146 0.000 1.195 169 A CA 1.577 53.434 52.037 -0.301 0.000 0.616 169 A CB -0.555 18.149 19.000 -0.493 0.000 0.832 169 A HN 0.386 nan 8.150 nan 0.000 0.443 170 R N -0.312 120.124 120.500 -0.107 0.000 2.117 170 R HA -0.124 4.216 4.340 -0.000 0.000 0.243 170 R C 2.049 178.335 176.300 -0.023 0.000 1.143 170 R CA 1.422 57.496 56.100 -0.043 0.000 0.968 170 R CB -1.085 29.206 30.300 -0.015 0.000 0.863 170 R HN 0.620 nan 8.270 nan 0.000 0.444 171 L N 0.343 121.551 121.223 -0.025 0.000 2.141 171 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 171 L C 2.529 179.395 176.870 -0.007 0.000 1.094 171 L CA 1.267 56.105 54.840 -0.003 0.000 0.763 171 L CB -0.331 41.730 42.059 0.003 0.000 0.908 171 L HN 0.116 nan 8.230 nan 0.000 0.437 172 K N -0.177 120.206 120.400 -0.029 0.000 2.026 172 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 172 K C 2.218 178.812 176.600 -0.010 0.000 1.048 172 K CA 1.432 57.706 56.287 -0.022 0.000 0.929 172 K CB -0.016 32.459 32.500 -0.042 0.000 0.713 172 K HN 0.343 nan 8.250 nan 0.000 0.439 173 Q N 0.217 120.007 119.800 -0.016 0.000 2.096 173 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 173 Q C 1.901 177.904 176.000 0.006 0.000 0.982 173 Q CA 1.152 56.952 55.803 -0.004 0.000 0.850 173 Q CB -0.101 28.634 28.738 -0.006 0.000 0.901 173 Q HN 0.296 nan 8.270 nan 0.000 0.422 174 I N -0.277 120.299 120.570 0.010 0.000 2.567 174 I HA -0.089 4.081 4.170 -0.000 0.000 0.257 174 I C 1.443 177.571 176.117 0.017 0.000 1.184 174 I CA 1.480 62.791 61.300 0.018 0.000 1.451 174 I CB -1.471 36.546 38.000 0.028 0.000 1.089 174 I HN 0.460 nan 8.210 nan 0.000 0.441 175 G N 1.250 110.059 108.800 0.015 0.000 2.160 175 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.244 175 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.244 175 G C 0.368 175.282 174.900 0.024 0.000 1.022 175 G CA 0.230 45.340 45.100 0.016 0.000 0.741 175 G HN 0.740 nan 8.290 nan 0.000 0.508 176 A N -0.019 122.820 122.820 0.031 0.000 2.301 176 A HA 0.771 5.091 4.320 -0.000 0.000 0.312 176 A C 0.608 178.228 177.584 0.059 0.000 1.182 176 A CA 0.370 52.435 52.037 0.047 0.000 0.826 176 A CB 0.791 19.822 19.000 0.053 0.000 1.134 176 A HN 0.718 nan 8.150 nan 0.000 0.501 177 T N 3.495 118.101 114.554 0.087 0.000 2.992 177 T HA 0.347 4.697 4.350 -0.000 0.000 0.299 177 T C 0.309 175.115 174.700 0.176 0.000 1.027 177 T CA 0.226 62.398 62.100 0.119 0.000 1.001 177 T CB -0.396 68.567 68.868 0.157 0.000 1.005 177 T HN 0.671 nan 8.240 nan 0.000 0.599 178 T N 2.246 116.860 114.554 0.101 0.000 2.918 178 T HA 0.524 4.874 4.350 -0.000 0.000 0.283 178 T C -0.013 174.697 174.700 0.017 0.000 1.001 178 T CA -0.616 61.543 62.100 0.099 0.000 1.041 178 T CB 1.563 70.466 68.868 0.058 0.000 1.028 178 T HN 0.222 nan 8.240 nan 0.000 0.511 179 V N 3.025 122.956 119.914 0.028 0.000 2.409 179 V HA 0.408 4.528 4.120 -0.000 0.000 0.290 179 V C -0.466 175.638 176.094 0.016 0.000 1.017 179 V CA -0.602 61.668 62.300 -0.050 0.000 0.841 179 V CB 1.232 32.988 31.823 -0.111 0.000 1.003 179 V HN 0.814 nan 8.190 nan 0.000 0.426 180 M N 3.295 122.891 119.600 -0.007 0.000 2.472 180 M HA 0.501 4.981 4.480 -0.000 0.000 0.331 180 M C -0.173 176.126 176.300 -0.002 0.000 1.170 180 M CA -0.259 55.043 55.300 0.003 0.000 1.009 180 M CB 2.105 34.708 32.600 0.005 0.000 1.672 180 M HN 0.424 nan 8.290 nan 0.000 0.453 181 T N 1.829 116.389 114.554 0.009 0.000 2.786 181 T HA 0.502 4.852 4.350 -0.000 0.000 0.283 181 T C -0.452 174.255 174.700 0.011 0.000 0.992 181 T CA -0.328 61.780 62.100 0.013 0.000 0.954 181 T CB 1.191 70.088 68.868 0.049 0.000 0.934 181 T HN 0.625 nan 8.240 nan 0.000 0.440 182 T N 3.291 117.851 114.554 0.009 0.000 2.940 182 T HA 0.564 4.914 4.350 -0.000 0.000 0.288 182 T C -0.533 174.176 174.700 0.014 0.000 1.045 182 T CA -1.036 61.081 62.100 0.027 0.000 1.018 182 T CB 1.447 70.338 68.868 0.038 0.000 1.151 182 T HN 0.666 nan 8.240 nan 0.000 0.529 183 E N 0.641 120.851 120.200 0.016 0.000 2.263 183 E HA 0.744 5.094 4.350 -0.000 0.000 0.264 183 E C -0.700 175.887 176.600 -0.022 0.000 0.923 183 E CA -1.122 55.277 56.400 -0.001 0.000 0.802 183 E CB 2.258 31.959 29.700 0.001 0.000 1.228 183 E HN 0.403 nan 8.360 nan 0.000 0.417 184 R N 0.171 120.653 120.500 -0.030 0.000 3.076 184 R HA 0.532 4.872 4.340 -0.000 0.000 0.239 184 R C 0.399 176.671 176.300 -0.046 0.000 1.392 184 R CA -0.783 55.291 56.100 -0.044 0.000 1.044 184 R CB 0.900 31.172 30.300 -0.048 0.000 1.389 184 R HN 0.555 nan 8.270 nan 0.000 0.498 185 I N -2.208 118.334 120.570 -0.047 0.000 4.967 185 I HA 0.280 4.450 4.170 -0.000 0.000 0.361 185 I C -0.194 175.903 176.117 -0.033 0.000 1.230 185 I CA 0.155 61.431 61.300 -0.040 0.000 1.420 185 I CB 0.558 38.532 38.000 -0.044 0.000 1.716 185 I HN 0.447 nan 8.210 nan 0.000 0.578 186 E N 2.200 122.378 120.200 -0.037 0.000 2.246 186 E HA 0.290 4.640 4.350 -0.000 0.000 0.266 186 E C 0.154 176.714 176.600 -0.068 0.000 0.880 186 E CA -0.059 56.325 56.400 -0.027 0.000 0.762 186 E CB 2.761 32.462 29.700 0.002 0.000 1.180 186 E HN -0.033 nan 8.360 nan 0.000 0.416 187 E N 2.257 122.391 120.200 -0.110 0.000 2.209 187 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 187 E C 0.253 176.561 176.600 -0.486 0.000 0.993 187 E CA 1.426 57.650 56.400 -0.294 0.000 0.819 187 E CB 0.017 29.512 29.700 -0.342 0.000 0.745 187 E HN 0.498 nan 8.360 nan 0.000 0.477 188 Y N -2.021 118.275 120.300 -0.006 0.000 2.707 188 Y HA 0.374 4.924 4.550 -0.000 0.000 0.249 188 Y C 1.006 176.902 175.900 -0.006 0.000 1.166 188 Y CA -0.406 57.690 58.100 -0.006 0.000 1.184 188 Y CB 1.005 39.462 38.460 -0.006 0.000 1.240 188 Y HN 0.005 nan 8.280 nan 0.000 0.547 189 G N 1.232 110.082 108.800 0.083 0.000 2.666 189 G HA2 0.221 4.181 3.960 -0.000 0.000 0.207 189 G HA3 0.221 4.181 3.960 -0.000 0.000 0.207 189 G C -2.151 172.770 174.900 0.035 0.000 1.481 189 G CA -0.906 44.226 45.100 0.054 0.000 1.071 189 G HN -0.118 nan 8.290 nan 0.000 0.572 190 P HA 0.101 nan 4.420 nan 0.000 0.267 190 P C 0.449 177.743 177.300 -0.010 0.000 1.200 190 P CA -0.334 62.773 63.100 0.012 0.000 0.772 190 P CB 1.111 32.819 31.700 0.012 0.000 0.855 191 I N 1.074 121.629 120.570 -0.025 0.000 2.286 191 I HA -0.145 4.025 4.170 -0.000 0.000 0.248 191 I C 1.508 177.600 176.117 -0.041 0.000 1.115 191 I CA 1.783 63.055 61.300 -0.047 0.000 1.392 191 I CB -0.879 37.066 38.000 -0.091 0.000 1.065 191 I HN 0.490 nan 8.210 nan 0.000 0.418 192 A N -1.395 121.410 122.820 -0.026 0.000 2.475 192 A HA 0.526 4.846 4.320 -0.000 0.000 0.281 192 A C 1.322 178.892 177.584 -0.023 0.000 1.263 192 A CA -0.526 51.505 52.037 -0.010 0.000 0.776 192 A CB 0.590 19.603 19.000 0.022 0.000 1.347 192 A HN 0.006 nan 8.150 nan 0.000 0.443 193 R N -1.525 118.948 120.500 -0.045 0.000 2.081 193 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 193 R C 0.574 176.676 176.300 -0.331 0.000 1.131 193 R CA 2.176 58.142 56.100 -0.224 0.000 0.960 193 R CB -0.289 29.801 30.300 -0.351 0.000 0.856 193 R HN 0.771 nan 8.270 nan 0.000 0.436 194 Y N -1.285 119.016 120.300 0.002 0.000 2.458 194 Y HA 0.316 4.866 4.550 -0.000 0.000 0.256 194 Y C 1.247 177.156 175.900 0.014 0.000 1.159 194 Y CA 0.247 58.343 58.100 -0.006 0.000 1.261 194 Y CB 1.011 39.442 38.460 -0.048 0.000 1.119 194 Y HN 0.305 nan 8.280 nan 0.000 0.524 195 G N 0.167 109.050 108.800 0.139 0.000 2.179 195 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 195 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 195 G C 0.563 175.600 174.900 0.228 0.000 1.010 195 G CA 0.749 45.939 45.100 0.150 0.000 0.736 195 G HN 0.340 nan 8.290 nan 0.000 0.513 196 V N -1.267 118.765 119.914 0.197 0.000 3.408 196 V HA 0.145 4.265 4.120 -0.000 0.000 0.263 196 V C 2.090 178.284 176.094 0.166 0.000 1.503 196 V CA 1.537 63.966 62.300 0.215 0.000 1.046 196 V CB 0.625 32.502 31.823 0.091 0.000 0.851 196 V HN 0.327 nan 8.190 nan 0.000 0.435 197 E N 0.869 121.121 120.200 0.087 0.000 2.106 197 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 197 E C 1.843 178.438 176.600 -0.009 0.000 0.984 197 E CA 1.418 57.843 56.400 0.041 0.000 0.806 197 E CB -0.118 29.608 29.700 0.043 0.000 0.750 197 E HN 0.662 nan 8.360 nan 0.000 0.458 198 E N 0.215 120.343 120.200 -0.119 0.000 2.070 198 E HA -0.184 4.166 4.350 -0.000 0.000 0.197 198 E C 1.454 177.872 176.600 -0.303 0.000 1.004 198 E CA 1.270 57.484 56.400 -0.310 0.000 0.805 198 E CB -0.360 28.963 29.700 -0.628 0.000 0.744 198 E HN 0.299 nan 8.360 nan 0.000 0.451 199 F N -0.413 119.546 119.950 0.015 0.000 2.661 199 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 199 F C 1.776 177.593 175.800 0.029 0.000 1.137 199 F CA 0.319 58.328 58.000 0.015 0.000 1.454 199 F CB 0.074 39.076 39.000 0.004 0.000 1.103 199 F HN -0.104 nan 8.300 nan 0.000 0.577 200 V N -1.873 118.148 119.914 0.179 0.000 3.431 200 V HA 0.065 4.184 4.120 -0.000 0.000 0.253 200 V C 0.899 177.068 176.094 0.126 0.000 1.184 200 V CA 0.349 62.752 62.300 0.173 0.000 1.104 200 V CB -0.104 31.820 31.823 0.170 0.000 0.799 200 V HN 0.045 nan 8.190 nan 0.000 0.462 201 S N 0.944 116.681 115.700 0.063 0.000 2.565 201 S HA 0.157 4.627 4.470 -0.000 0.000 0.274 201 S C 0.737 175.351 174.600 0.023 0.000 1.309 201 S CA -0.475 57.742 58.200 0.029 0.000 1.043 201 S CB 1.127 64.323 63.200 -0.007 0.000 0.939 201 S HN 0.373 nan 8.310 nan 0.000 0.504 202 D N 1.463 121.874 120.400 0.018 0.000 2.183 202 D HA 0.003 4.643 4.640 -0.000 0.000 0.203 202 D C -0.006 176.288 176.300 -0.010 0.000 0.969 202 D CA 1.119 55.129 54.000 0.016 0.000 0.842 202 D CB 0.073 40.883 40.800 0.017 0.000 0.957 202 D HN 0.437 nan 8.370 nan 0.000 0.484 203 N N -0.068 118.615 118.700 -0.028 0.000 2.229 203 N HA 0.372 5.112 4.740 -0.000 0.000 0.298 203 N C -1.104 174.362 175.510 -0.074 0.000 1.114 203 N CA -0.449 52.566 53.050 -0.058 0.000 0.776 203 N CB 3.244 41.703 38.487 -0.047 0.000 1.501 203 N HN -0.267 nan 8.380 nan 0.000 0.474 204 V N 1.374 121.226 119.914 -0.104 0.000 2.569 204 V HA 0.383 4.503 4.120 -0.000 0.000 0.301 204 V C -0.562 175.464 176.094 -0.113 0.000 1.044 204 V CA -0.713 61.523 62.300 -0.107 0.000 0.874 204 V CB 2.209 33.963 31.823 -0.115 0.000 1.002 204 V HN 0.386 nan 8.190 nan 0.000 0.424 205 V N 6.364 126.207 119.914 -0.119 0.000 2.495 205 V HA 0.573 4.693 4.120 -0.000 0.000 0.298 205 V C -0.337 175.685 176.094 -0.120 0.000 1.031 205 V CA -0.463 61.764 62.300 -0.123 0.000 0.871 205 V CB 1.986 33.675 31.823 -0.225 0.000 0.988 205 V HN 0.692 nan 8.190 nan 0.000 0.432 206 I N 5.671 126.202 120.570 -0.064 0.000 2.389 206 I HA 0.443 4.613 4.170 -0.000 0.000 0.288 206 I C -0.678 175.442 176.117 0.003 0.000 0.999 206 I CA -0.402 60.872 61.300 -0.043 0.000 1.129 206 I CB 1.680 39.666 38.000 -0.025 0.000 1.288 206 I HN 0.327 nan 8.210 nan 0.000 0.444 207 L N 6.785 128.010 121.223 0.004 0.000 2.295 207 L HA 0.563 4.903 4.340 -0.000 0.000 0.285 207 L C -0.002 176.908 176.870 0.067 0.000 1.035 207 L CA -0.457 54.453 54.840 0.118 0.000 0.806 207 L CB 1.300 43.433 42.059 0.122 0.000 1.214 207 L HN 0.562 nan 8.230 nan 0.000 0.426 208 R N 1.785 122.323 120.500 0.064 0.000 2.803 208 R HA 0.342 4.682 4.340 -0.000 0.000 0.276 208 R C -0.384 175.866 176.300 -0.083 0.000 0.978 208 R CA -0.557 55.504 56.100 -0.066 0.000 0.939 208 R CB 1.876 32.080 30.300 -0.162 0.000 1.179 208 R HN 0.573 nan 8.270 nan 0.000 0.472 209 N N 1.887 120.523 118.700 -0.105 0.000 2.679 209 N HA 0.118 4.857 4.740 -0.000 0.000 0.302 209 N C -0.938 174.518 175.510 -0.090 0.000 1.941 209 N CA -0.134 52.860 53.050 -0.094 0.000 0.875 209 N CB 0.911 39.367 38.487 -0.051 0.000 1.278 209 N HN 0.153 nan 8.380 nan 0.000 0.490 210 V N 2.155 122.007 119.914 -0.103 0.000 2.814 210 V HA -0.089 4.031 4.120 -0.000 0.000 0.307 210 V C 1.267 177.351 176.094 -0.018 0.000 1.089 210 V CA 0.327 62.591 62.300 -0.061 0.000 1.212 210 V CB 0.819 32.647 31.823 0.007 0.000 0.912 210 V HN 0.437 nan 8.190 nan 0.000 0.497 211 L N 3.424 124.648 121.223 0.002 0.000 2.539 211 L HA 0.374 4.714 4.340 -0.000 0.000 0.160 211 L C 0.924 177.805 176.870 0.018 0.000 1.447 211 L CA 1.172 56.015 54.840 0.005 0.000 3.093 211 L CB -0.305 41.759 42.059 0.007 0.000 2.998 211 L HN 1.038 nan 8.230 nan 0.000 1.023 212 E N -0.535 119.677 120.200 0.020 0.000 7.441 212 E HA -0.095 4.255 4.350 -0.000 0.000 0.202 212 E C 0.159 176.763 176.600 0.006 0.000 0.906 212 E CA 0.577 56.988 56.400 0.018 0.000 1.664 212 E CB -1.757 27.960 29.700 0.028 0.000 0.899 212 E HN 1.340 nan 8.360 nan 0.000 0.266 213 G N 4.477 113.278 108.800 0.002 0.000 2.295 213 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.287 213 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.287 213 G C 0.547 175.444 174.900 -0.006 0.000 1.055 213 G CA 1.216 46.314 45.100 -0.005 0.000 0.922 213 G HN 0.915 nan 8.290 nan 0.000 0.503 214 E N -2.871 117.327 120.200 -0.004 0.000 3.680 214 E HA -0.269 4.081 4.350 -0.000 0.000 0.309 214 E C 1.181 177.777 176.600 -0.006 0.000 0.793 214 E CA 1.617 58.014 56.400 -0.005 0.000 1.083 214 E CB -0.492 29.203 29.700 -0.008 0.000 1.548 214 E HN 0.598 nan 8.360 nan 0.000 0.456 215 R N 0.661 121.158 120.500 -0.005 0.000 2.674 215 R HA 0.471 4.811 4.340 -0.000 0.000 0.266 215 R C 0.261 176.555 176.300 -0.009 0.000 1.016 215 R CA -0.539 55.556 56.100 -0.007 0.000 1.062 215 R CB 0.787 31.084 30.300 -0.006 0.000 1.142 215 R HN -0.023 nan 8.270 nan 0.000 0.517 216 R N 1.345 121.836 120.500 -0.016 0.000 2.562 216 R HA 0.401 4.741 4.340 -0.000 0.000 0.298 216 R C -0.356 175.921 176.300 -0.039 0.000 0.961 216 R CA -0.723 55.361 56.100 -0.026 0.000 0.881 216 R CB 2.355 32.638 30.300 -0.028 0.000 1.159 216 R HN 0.454 nan 8.270 nan 0.000 0.450 217 R N 3.046 123.516 120.500 -0.050 0.000 2.451 217 R HA 0.311 4.651 4.340 -0.000 0.000 0.307 217 R C -0.676 175.542 176.300 -0.136 0.000 0.965 217 R CA -0.633 55.427 56.100 -0.067 0.000 0.865 217 R CB 1.057 31.342 30.300 -0.025 0.000 1.174 217 R HN 0.550 nan 8.270 nan 0.000 0.455 218 R N 2.643 122.989 120.500 -0.258 0.000 2.265 218 R HA 0.269 4.609 4.340 -0.000 0.000 0.314 218 R C -0.226 175.744 176.300 -0.549 0.000 1.053 218 R CA -0.428 55.350 56.100 -0.536 0.000 0.931 218 R CB 1.296 30.990 30.300 -1.011 0.000 1.024 218 R HN 0.630 nan 8.270 nan 0.000 0.457 219 T N -0.116 114.262 114.554 -0.293 0.000 2.864 219 T HA 0.670 5.019 4.350 -0.000 0.000 0.289 219 T C -0.590 174.335 174.700 0.374 0.000 1.082 219 T CA -1.031 61.102 62.100 0.055 0.000 1.009 219 T CB 1.688 70.604 68.868 0.080 0.000 1.234 219 T HN 0.524 nan 8.240 nan 0.000 0.526 220 L N 0.009 121.507 121.223 0.459 0.000 2.455 220 L HA 0.770 5.110 4.340 -0.000 0.000 0.264 220 L C -1.321 175.734 176.870 0.308 0.000 0.968 220 L CA -0.502 54.578 54.840 0.401 0.000 0.827 220 L CB 2.085 44.390 42.059 0.410 0.000 1.317 220 L HN 1.037 nan 8.230 nan 0.000 0.407 221 E N 4.475 124.792 120.200 0.195 0.000 2.314 221 E HA 0.466 4.816 4.350 -0.000 0.000 0.272 221 E C -1.608 175.049 176.600 0.095 0.000 0.884 221 E CA -0.758 55.745 56.400 0.172 0.000 0.753 221 E CB 2.225 31.993 29.700 0.114 0.000 1.213 221 E HN 0.668 nan 8.360 nan 0.000 0.432 222 I N 6.293 126.916 120.570 0.088 0.000 2.307 222 I HA 0.080 4.250 4.170 -0.000 0.000 0.289 222 I C 1.154 177.225 176.117 -0.076 0.000 1.021 222 I CA -0.358 60.901 61.300 -0.067 0.000 1.224 222 I CB 1.104 38.983 38.000 -0.201 0.000 1.376 222 I HN 0.684 nan 8.210 nan 0.000 0.470 223 L N 6.622 127.790 121.223 -0.092 0.000 2.023 223 L HA 0.007 4.347 4.340 -0.000 0.000 0.205 223 L C 0.869 177.695 176.870 -0.073 0.000 1.073 223 L CA 1.745 56.559 54.840 -0.043 0.000 0.745 223 L CB 0.030 42.051 42.059 -0.064 0.000 0.900 223 L HN 0.657 nan 8.230 nan 0.000 0.435 224 K N -1.335 118.945 120.400 -0.200 0.000 2.556 224 K HA 0.432 4.752 4.320 -0.000 0.000 0.274 224 K C -1.379 175.071 176.600 -0.250 0.000 0.966 224 K CA -0.736 55.449 56.287 -0.170 0.000 0.865 224 K CB 1.750 34.226 32.500 -0.040 0.000 1.444 224 K HN 0.006 nan 8.250 nan 0.000 0.433 225 L N 2.807 123.942 121.223 -0.147 0.000 2.448 225 L HA 0.334 4.674 4.340 -0.000 0.000 0.257 225 L C -0.596 176.282 176.870 0.013 0.000 1.504 225 L CA -0.732 54.058 54.840 -0.083 0.000 0.852 225 L CB 1.239 43.237 42.059 -0.101 0.000 1.051 225 L HN 0.668 nan 8.230 nan 0.000 0.518 226 R N 0.913 121.424 120.500 0.018 0.000 2.560 226 R HA 0.023 4.363 4.340 -0.000 0.000 0.296 226 R C 1.265 177.590 176.300 0.041 0.000 0.873 226 R CA 1.371 57.493 56.100 0.038 0.000 1.140 226 R CB 0.049 30.371 30.300 0.037 0.000 0.875 226 R HN 0.823 nan 8.270 nan 0.000 0.419 227 G N 1.370 110.199 108.800 0.048 0.000 2.339 227 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.209 227 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.209 227 G C 0.163 175.096 174.900 0.055 0.000 1.015 227 G CA 0.034 45.162 45.100 0.047 0.000 0.635 227 G HN 0.781 nan 8.290 nan 0.000 0.499 228 T N -1.306 113.290 114.554 0.070 0.000 2.647 228 T HA 0.762 5.112 4.350 -0.000 0.000 0.295 228 T C 0.259 175.022 174.700 0.105 0.000 1.126 228 T CA 0.531 62.680 62.100 0.081 0.000 1.040 228 T CB 1.338 70.255 68.868 0.083 0.000 1.472 228 T HN 1.469 nan 8.240 nan 0.000 0.500 229 S N -0.148 115.606 115.700 0.091 0.000 2.713 229 S HA 0.842 5.312 4.470 -0.000 0.000 0.277 229 S C -0.569 173.988 174.600 -0.071 0.000 1.168 229 S CA -0.463 57.737 58.200 -0.000 0.000 0.994 229 S CB 0.177 63.414 63.200 0.062 0.000 1.054 229 S HN 1.609 nan 8.310 nan 0.000 0.555 230 H N -2.897 115.888 119.070 -0.476 0.000 2.961 230 H HA 0.354 4.909 4.556 -0.000 0.000 0.278 230 H C -1.387 173.632 175.328 -0.515 0.000 1.338 230 H CA -0.976 54.696 56.048 -0.628 0.000 1.373 230 H CB -0.153 29.440 29.762 -0.282 0.000 1.915 230 H HN 0.618 nan 8.280 nan 0.000 0.500 231 M N 2.186 121.583 119.600 -0.338 0.000 2.238 231 M HA 0.238 4.718 4.480 -0.000 0.000 0.347 231 M C -0.360 176.026 176.300 0.143 0.000 1.173 231 M CA 0.049 55.317 55.300 -0.052 0.000 1.147 231 M CB 0.613 33.247 32.600 0.058 0.000 1.547 231 M HN 0.516 nan 8.290 nan 0.000 0.455 232 K N 1.165 121.623 120.400 0.096 0.000 2.132 232 K HA 0.793 5.113 4.320 -0.000 0.000 0.241 232 K C 0.239 176.885 176.600 0.076 0.000 1.000 232 K CA 0.260 56.608 56.287 0.102 0.000 0.911 232 K CB 0.996 33.491 32.500 -0.009 0.000 1.093 232 K HN 0.850 nan 8.250 nan 0.000 0.460 233 G N 0.475 109.290 108.800 0.024 0.000 2.750 233 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.228 233 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.228 233 G C -0.976 173.819 174.900 -0.175 0.000 1.367 233 G CA -0.590 44.452 45.100 -0.097 0.000 0.871 233 G HN 0.508 nan 8.290 nan 0.000 0.560 234 E N -0.861 119.199 120.200 -0.234 0.000 2.349 234 E HA 0.575 4.925 4.350 -0.000 0.000 0.262 234 E C -1.055 175.301 176.600 -0.405 0.000 1.088 234 E CA -0.029 56.281 56.400 -0.151 0.000 0.899 234 E CB 1.016 30.705 29.700 -0.018 0.000 1.044 234 E HN 0.441 nan 8.360 nan 0.000 0.420 235 Y N 0.471 120.861 120.300 0.150 0.000 2.362 235 Y HA 0.203 4.753 4.550 -0.000 0.000 0.326 235 Y C -2.307 173.734 175.900 0.235 0.000 1.083 235 Y CA -2.415 55.792 58.100 0.178 0.000 1.073 235 Y CB 1.836 40.402 38.460 0.175 0.000 1.211 235 Y HN 0.384 nan 8.280 nan 0.000 0.433 236 P HA 0.106 nan 4.420 nan 0.000 0.268 236 P C -0.934 176.640 177.300 0.457 0.000 1.205 236 P CA 0.421 63.693 63.100 0.287 0.000 0.771 236 P CB 0.768 32.614 31.700 0.243 0.000 0.858 237 F N -0.722 119.392 119.950 0.273 0.000 2.645 237 F HA 0.737 5.263 4.527 -0.000 0.000 0.310 237 F C -1.270 174.656 175.800 0.210 0.000 1.102 237 F CA -0.938 57.189 58.000 0.212 0.000 0.952 237 F CB 1.063 40.143 39.000 0.134 0.000 1.326 237 F HN 0.222 nan 8.300 nan 0.000 0.456 238 T N 1.610 116.460 114.554 0.493 0.000 2.907 238 T HA 0.696 5.046 4.350 -0.000 0.000 0.292 238 T C -0.704 174.235 174.700 0.399 0.000 1.043 238 T CA -0.593 61.718 62.100 0.351 0.000 1.003 238 T CB 2.088 71.142 68.868 0.310 0.000 1.084 238 T HN 0.695 nan 8.240 nan 0.000 0.483 239 I N 3.044 123.806 120.570 0.320 0.000 2.328 239 I HA 0.376 4.546 4.170 -0.000 0.000 0.287 239 I C 0.901 177.151 176.117 0.221 0.000 1.012 239 I CA -0.500 60.977 61.300 0.295 0.000 1.195 239 I CB 1.288 39.481 38.000 0.321 0.000 1.350 239 I HN 0.902 nan 8.210 nan 0.000 0.464 240 T N 0.056 114.729 114.554 0.198 0.000 2.768 240 T HA 0.283 4.633 4.350 -0.000 0.000 0.268 240 T C 0.579 175.322 174.700 0.073 0.000 0.969 240 T CA -0.641 61.528 62.100 0.115 0.000 1.008 240 T CB 1.271 70.204 68.868 0.108 0.000 1.371 240 T HN 0.362 nan 8.240 nan 0.000 0.587 241 D N 0.304 120.617 120.400 -0.146 0.000 2.352 241 D HA 0.036 4.676 4.640 -0.000 0.000 0.232 241 D C 0.209 176.224 176.300 -0.475 0.000 1.055 241 D CA 0.559 54.346 54.000 -0.355 0.000 0.891 241 D CB -0.108 40.395 40.800 -0.495 0.000 0.897 241 D HN 0.482 nan 8.370 nan 0.000 0.529 242 H N -0.814 118.283 119.070 0.045 0.000 2.637 242 H HA 0.354 4.910 4.556 -0.000 0.000 0.245 242 H C 1.386 176.695 175.328 -0.031 0.000 1.190 242 H CA 0.165 56.194 56.048 -0.033 0.000 0.934 242 H CB 0.449 30.218 29.762 0.012 0.000 1.950 242 H HN 0.071 nan 8.280 nan 0.000 0.614 243 G N 1.056 109.869 108.800 0.022 0.000 2.598 243 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 243 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 243 G C 0.004 174.916 174.900 0.020 0.000 1.302 243 G CA -0.312 44.705 45.100 -0.139 0.000 0.903 243 G HN 0.285 nan 8.290 nan 0.000 0.575 244 I N 1.128 121.683 120.570 -0.025 0.000 2.588 244 I HA 0.259 4.429 4.170 -0.000 0.000 0.283 244 I C 0.433 176.550 176.117 -0.001 0.000 1.119 244 I CA 0.196 61.486 61.300 -0.018 0.000 1.419 244 I CB 0.956 38.852 38.000 -0.174 0.000 1.394 244 I HN 0.510 nan 8.210 nan 0.000 0.562 245 N N 6.661 125.381 118.700 0.033 0.000 2.577 245 N HA 0.477 5.217 4.740 -0.000 0.000 0.275 245 N C -1.150 174.211 175.510 -0.248 0.000 1.091 245 N CA -0.382 52.595 53.050 -0.122 0.000 0.843 245 N CB 0.880 39.292 38.487 -0.125 0.000 1.295 245 N HN 0.372 nan 8.380 nan 0.000 0.530 246 I N 2.402 122.832 120.570 -0.233 0.000 2.437 246 I HA 0.421 4.591 4.170 -0.000 0.000 0.298 246 I C -0.668 175.259 176.117 -0.317 0.000 0.984 246 I CA -0.748 60.483 61.300 -0.114 0.000 1.214 246 I CB 0.967 39.012 38.000 0.076 0.000 1.365 246 I HN 0.336 nan 8.210 nan 0.000 0.469 247 F N 5.496 125.547 119.950 0.169 0.000 2.366 247 F HA 0.389 4.916 4.527 -0.000 0.000 0.366 247 F C -2.202 173.676 175.800 0.130 0.000 1.096 247 F CA -2.299 55.768 58.000 0.111 0.000 1.060 247 F CB 0.830 39.883 39.000 0.090 0.000 1.282 247 F HN 0.222 nan 8.300 nan 0.000 0.450 248 P HA 0.172 nan 4.420 nan 0.000 0.230 248 P C 0.968 178.393 177.300 0.208 0.000 1.791 248 P CA 0.147 63.300 63.100 0.089 0.000 1.020 248 P CB 0.063 31.683 31.700 -0.132 0.000 1.977 249 L N -0.215 121.176 121.223 0.280 0.000 2.450 249 L HA -0.146 4.194 4.340 -0.000 0.000 0.225 249 L C 2.047 179.015 176.870 0.162 0.000 1.145 249 L CA 1.583 56.532 54.840 0.182 0.000 0.801 249 L CB -0.672 41.468 42.059 0.135 0.000 0.924 249 L HN 0.336 nan 8.230 nan 0.000 0.447 250 G N -1.566 107.380 108.800 0.244 0.000 3.126 250 G HA2 0.249 4.209 3.960 -0.000 0.000 0.224 250 G HA3 0.249 4.209 3.960 -0.000 0.000 0.224 250 G C 1.430 176.425 174.900 0.158 0.000 1.142 250 G CA 0.558 45.779 45.100 0.201 0.000 0.759 250 G HN 0.382 nan 8.290 nan 0.000 0.550 251 A N 0.155 123.053 122.820 0.129 0.000 2.063 251 A HA 0.443 4.762 4.320 -0.000 0.000 0.211 251 A C 1.369 178.990 177.584 0.063 0.000 1.177 251 A CA -0.083 52.000 52.037 0.076 0.000 0.759 251 A CB -0.204 18.814 19.000 0.029 0.000 0.857 251 A HN 0.373 nan 8.150 nan 0.000 0.468 252 M N 1.680 121.324 119.600 0.074 0.000 2.261 252 M HA 0.038 4.518 4.480 -0.000 0.000 0.350 252 M C -0.125 176.204 176.300 0.048 0.000 1.343 252 M CA 0.506 55.846 55.300 0.066 0.000 1.003 252 M CB 0.251 32.895 32.600 0.075 0.000 1.848 252 M HN 0.340 nan 8.290 nan 0.000 0.456 253 R N 3.378 123.901 120.500 0.038 0.000 2.553 253 R HA 0.415 4.755 4.340 -0.000 0.000 0.263 253 R C -0.605 175.708 176.300 0.021 0.000 1.066 253 R CA -0.978 55.138 56.100 0.026 0.000 1.135 253 R CB 0.657 30.968 30.300 0.019 0.000 1.148 253 R HN 0.629 nan 8.270 nan 0.000 0.558 254 L N 1.582 122.814 121.223 0.013 0.000 2.648 254 L HA 0.194 4.534 4.340 -0.000 0.000 0.238 254 L C -0.468 176.405 176.870 0.005 0.000 1.316 254 L CA 0.746 55.590 54.840 0.007 0.000 1.241 254 L CB -0.012 42.049 42.059 0.003 0.000 1.499 254 L HN 0.583 nan 8.230 nan 0.000 0.411 255 T N 0.284 114.842 114.554 0.007 0.000 3.416 255 T HA 0.257 4.607 4.350 -0.000 0.000 0.245 255 T C -0.041 174.661 174.700 0.004 0.000 1.081 255 T CA -0.487 61.616 62.100 0.005 0.000 1.190 255 T CB -0.042 68.830 68.868 0.007 0.000 1.068 255 T HN 0.257 nan 8.240 nan 0.000 0.580 256 Q N 1.505 121.306 119.800 0.001 0.000 2.286 256 Q HA 0.356 4.696 4.340 -0.000 0.000 0.257 256 Q C 0.107 176.106 176.000 -0.002 0.000 0.941 256 Q CA -0.286 55.517 55.803 -0.001 0.000 0.912 256 Q CB 1.460 30.197 28.738 -0.001 0.000 1.192 256 Q HN 0.408 nan 8.270 nan 0.000 0.410 257 R N 1.001 121.501 120.500 -0.000 0.000 2.590 257 R HA 0.238 4.578 4.340 -0.000 0.000 0.274 257 R C 0.028 176.330 176.300 0.004 0.000 1.061 257 R CA 0.146 56.247 56.100 0.002 0.000 1.081 257 R CB 0.549 30.852 30.300 0.005 0.000 0.984 257 R HN 0.528 nan 8.270 nan 0.000 0.448 258 S N 1.375 117.076 115.700 0.001 0.000 2.733 258 S HA 0.346 4.816 4.470 -0.000 0.000 0.294 258 S C -0.611 173.993 174.600 0.008 0.000 1.149 258 S CA -0.658 57.538 58.200 -0.005 0.000 1.034 258 S CB 0.958 64.136 63.200 -0.037 0.000 1.015 258 S HN 0.657 nan 8.310 nan 0.000 0.486 259 S N 3.636 119.360 115.700 0.040 0.000 2.786 259 S HA 0.541 5.011 4.470 -0.000 0.000 0.307 259 S C 0.284 174.969 174.600 0.141 0.000 1.121 259 S CA -0.729 57.516 58.200 0.075 0.000 0.975 259 S CB 1.140 64.391 63.200 0.085 0.000 1.220 259 S HN 0.649 nan 8.310 nan 0.000 0.550 260 N N -0.293 118.523 118.700 0.194 0.000 2.203 260 N HA 0.209 4.948 4.740 -0.000 0.000 0.207 260 N C -0.442 175.265 175.510 0.329 0.000 1.130 260 N CA 0.052 53.310 53.050 0.347 0.000 0.861 260 N CB 0.488 39.113 38.487 0.231 0.000 1.005 260 N HN 0.377 nan 8.380 nan 0.000 0.507 261 V N 2.662 122.714 119.914 0.230 0.000 2.585 261 V HA 0.048 4.168 4.120 -0.000 0.000 0.296 261 V C 0.956 177.107 176.094 0.095 0.000 1.035 261 V CA 0.178 62.554 62.300 0.127 0.000 1.084 261 V CB 0.696 32.576 31.823 0.095 0.000 0.953 261 V HN 0.121 nan 8.190 nan 0.000 0.483 262 R N 3.170 123.652 120.500 -0.029 0.000 2.606 262 R HA 0.839 5.179 4.340 -0.000 0.000 0.249 262 R C -1.128 175.148 176.300 -0.039 0.000 1.127 262 R CA -0.562 55.470 56.100 -0.114 0.000 1.133 262 R CB 1.654 31.847 30.300 -0.180 0.000 1.243 262 R HN 0.472 nan 8.270 nan 0.000 0.558 263 V N -0.427 119.456 119.914 -0.052 0.000 2.882 263 V HA 0.107 4.227 4.120 -0.000 0.000 0.295 263 V C 0.069 176.072 176.094 -0.151 0.000 1.273 263 V CA -0.875 61.389 62.300 -0.059 0.000 0.949 263 V CB 1.829 33.662 31.823 0.017 0.000 1.071 263 V HN 0.832 nan 8.190 nan 0.000 0.432 264 S N 1.798 117.380 115.700 -0.196 0.000 2.606 264 S HA 0.304 4.774 4.470 -0.000 0.000 0.257 264 S C 1.326 175.689 174.600 -0.395 0.000 1.327 264 S CA 0.441 58.473 58.200 -0.280 0.000 0.984 264 S CB 1.096 64.175 63.200 -0.202 0.000 0.941 264 S HN 1.347 nan 8.310 nan 0.000 0.576 265 S N 0.150 115.585 115.700 -0.442 0.000 2.524 265 S HA 0.417 4.887 4.470 -0.000 0.000 0.222 265 S C 1.290 175.826 174.600 -0.107 0.000 1.040 265 S CA 0.538 58.531 58.200 -0.346 0.000 0.915 265 S CB 0.523 63.358 63.200 -0.608 0.000 0.831 265 S HN 1.724 nan 8.310 nan 0.000 0.492 266 G N 0.497 109.211 108.800 -0.145 0.000 2.201 266 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.212 266 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.212 266 G C -0.119 174.731 174.900 -0.083 0.000 0.994 266 G CA -0.126 44.924 45.100 -0.083 0.000 0.644 266 G HN 0.863 nan 8.290 nan 0.000 0.508 267 V N 2.121 121.967 119.914 -0.112 0.000 2.349 267 V HA 0.404 4.524 4.120 -0.000 0.000 0.284 267 V C 1.576 177.601 176.094 -0.115 0.000 1.014 267 V CA -0.176 62.057 62.300 -0.110 0.000 0.826 267 V CB 1.321 33.072 31.823 -0.119 0.000 1.009 267 V HN 0.129 nan 8.190 nan 0.000 0.431 268 V N 4.017 123.877 119.914 -0.090 0.000 2.295 268 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 268 V C 2.534 178.593 176.094 -0.058 0.000 1.049 268 V CA 2.116 64.370 62.300 -0.077 0.000 1.024 268 V CB -0.699 31.090 31.823 -0.057 0.000 0.648 268 V HN 0.876 nan 8.190 nan 0.000 0.447 269 R N 0.095 120.565 120.500 -0.050 0.000 2.103 269 R HA -0.149 4.190 4.340 -0.000 0.000 0.242 269 R C 2.182 178.470 176.300 -0.019 0.000 1.142 269 R CA 1.681 57.765 56.100 -0.027 0.000 0.960 269 R CB -0.810 29.471 30.300 -0.033 0.000 0.858 269 R HN 0.501 nan 8.270 nan 0.000 0.439 270 L N 0.104 121.297 121.223 -0.050 0.000 1.955 270 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 270 L C 1.456 178.315 176.870 -0.017 0.000 1.072 270 L CA 2.377 57.199 54.840 -0.031 0.000 0.755 270 L CB -0.587 41.439 42.059 -0.055 0.000 0.888 270 L HN 0.289 nan 8.230 nan 0.000 0.432 271 D N -0.470 119.873 120.400 -0.095 0.000 2.220 271 D HA -0.260 4.380 4.640 -0.000 0.000 0.198 271 D C 2.018 178.320 176.300 0.003 0.000 1.001 271 D CA 1.594 55.529 54.000 -0.108 0.000 0.875 271 D CB 0.078 40.791 40.800 -0.146 0.000 0.921 271 D HN 0.481 nan 8.370 nan 0.000 0.454 272 E N -0.465 119.757 120.200 0.036 0.000 2.046 272 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 272 E C 2.091 178.829 176.600 0.229 0.000 0.982 272 E CA 0.669 57.136 56.400 0.111 0.000 0.800 272 E CB -0.080 29.670 29.700 0.084 0.000 0.756 272 E HN 0.339 nan 8.360 nan 0.000 0.449 273 M N 0.168 119.864 119.600 0.160 0.000 2.346 273 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 273 M C 1.603 177.963 176.300 0.100 0.000 1.064 273 M CA 0.740 56.120 55.300 0.134 0.000 1.083 273 M CB -0.025 32.619 32.600 0.073 0.000 1.399 273 M HN 0.146 nan 8.290 nan 0.000 0.435 274 C N 0.837 120.232 119.300 0.157 0.000 2.480 274 C HA 0.332 4.792 4.460 -0.000 0.000 0.317 274 C C 1.619 176.753 174.990 0.241 0.000 1.300 274 C CA -0.138 58.995 59.018 0.191 0.000 1.706 274 C CB -1.730 26.157 27.740 0.244 0.000 1.840 274 C HN 0.830 nan 8.230 nan 0.000 0.596 275 G N 0.959 109.995 108.800 0.394 0.000 2.321 275 G HA2 0.036 3.996 3.960 -0.000 0.000 0.287 275 G HA3 0.036 3.996 3.960 -0.000 0.000 0.287 275 G C 0.820 175.825 174.900 0.175 0.000 1.018 275 G CA 0.517 45.905 45.100 0.479 0.000 0.855 275 G HN 1.480 nan 8.290 nan 0.000 0.507 276 G N -2.559 106.289 108.800 0.079 0.000 2.155 276 G HA2 0.553 4.513 3.960 -0.000 0.000 0.130 276 G HA3 0.553 4.513 3.960 -0.000 0.000 0.130 276 G C 1.430 176.269 174.900 -0.102 0.000 1.027 276 G CA 0.699 45.783 45.100 -0.027 0.000 0.705 276 G HN 2.857 nan 8.290 nan 0.000 0.496 277 G N -1.098 107.645 108.800 -0.094 0.000 2.663 277 G HA2 0.206 4.165 3.960 -0.000 0.000 0.686 277 G HA3 0.206 4.165 3.960 -0.000 0.000 0.686 277 G C -0.160 174.705 174.900 -0.059 0.000 1.288 277 G CA -0.422 44.572 45.100 -0.176 0.000 0.836 277 G HN 1.031 nan 8.290 nan 0.000 0.584 278 F N -0.281 119.648 119.950 -0.035 0.000 2.429 278 F HA 0.515 5.042 4.527 -0.000 0.000 0.348 278 F C 1.228 177.017 175.800 -0.018 0.000 1.109 278 F CA -0.810 57.210 58.000 0.033 0.000 1.232 278 F CB 0.527 39.623 39.000 0.161 0.000 1.157 278 F HN 0.297 nan 8.300 nan 0.000 0.564 279 F N 2.101 122.215 119.950 0.274 0.000 2.496 279 F HA 0.059 4.586 4.527 -0.000 0.000 0.344 279 F C 1.601 177.504 175.800 0.172 0.000 1.155 279 F CA -0.153 57.950 58.000 0.171 0.000 1.302 279 F CB 0.552 39.626 39.000 0.122 0.000 1.159 279 F HN 0.491 nan 8.300 nan 0.000 0.595 280 K N 0.623 121.196 120.400 0.290 0.000 2.026 280 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 280 K C -0.182 176.538 176.600 0.200 0.000 1.048 280 K CA 1.423 57.831 56.287 0.202 0.000 0.929 280 K CB -0.027 32.552 32.500 0.132 0.000 0.713 280 K HN 0.531 nan 8.250 nan 0.000 0.439 281 D N 1.648 122.168 120.400 0.201 0.000 2.468 281 D HA 0.108 4.748 4.640 -0.000 0.000 0.218 281 D C -0.856 175.526 176.300 0.136 0.000 1.155 281 D CA 0.200 54.281 54.000 0.134 0.000 0.924 281 D CB 1.055 41.905 40.800 0.083 0.000 1.029 281 D HN 0.324 nan 8.370 nan 0.000 0.515 282 S N 1.148 116.933 115.700 0.141 0.000 2.614 282 S HA 0.375 4.845 4.470 -0.000 0.000 0.280 282 S C -1.391 173.271 174.600 0.103 0.000 1.111 282 S CA -1.019 57.248 58.200 0.113 0.000 0.847 282 S CB 0.998 64.299 63.200 0.170 0.000 1.079 282 S HN 0.070 nan 8.310 nan 0.000 0.452 283 I N 2.611 123.227 120.570 0.077 0.000 2.354 283 I HA 0.478 4.648 4.170 -0.000 0.000 0.292 283 I C -0.573 175.556 176.117 0.019 0.000 0.989 283 I CA -1.011 60.363 61.300 0.122 0.000 1.188 283 I CB 1.322 39.416 38.000 0.157 0.000 1.342 283 I HN 0.645 nan 8.210 nan 0.000 0.457 284 I N 6.977 127.510 120.570 -0.061 0.000 2.378 284 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 284 I C -0.324 175.734 176.117 -0.098 0.000 0.992 284 I CA -0.986 60.169 61.300 -0.241 0.000 1.154 284 I CB 1.585 39.213 38.000 -0.620 0.000 1.315 284 I HN 0.315 nan 8.210 nan 0.000 0.448 285 L N 5.960 127.139 121.223 -0.074 0.000 2.333 285 L HA 0.862 5.202 4.340 -0.000 0.000 0.280 285 L C -0.374 176.467 176.870 -0.048 0.000 1.004 285 L CA -0.178 54.662 54.840 -0.001 0.000 0.820 285 L CB 1.586 43.656 42.059 0.017 0.000 1.247 285 L HN 0.712 nan 8.230 nan 0.000 0.416 286 A N 3.302 126.106 122.820 -0.027 0.000 2.273 286 A HA 0.790 5.110 4.320 -0.000 0.000 0.315 286 A C -0.539 177.038 177.584 -0.012 0.000 1.256 286 A CA -0.366 51.651 52.037 -0.033 0.000 0.851 286 A CB 0.509 19.486 19.000 -0.037 0.000 1.172 286 A HN 0.729 nan 8.150 nan 0.000 0.508 287 T N 0.692 115.227 114.554 -0.031 0.000 2.841 287 T HA 0.849 5.199 4.350 -0.000 0.000 0.283 287 T C 0.089 174.763 174.700 -0.043 0.000 1.000 287 T CA -0.171 61.908 62.100 -0.035 0.000 0.977 287 T CB 1.912 70.742 68.868 -0.063 0.000 0.979 287 T HN 1.517 nan 8.240 nan 0.000 0.446 288 G N 0.389 109.171 108.800 -0.030 0.000 2.523 288 G HA2 0.662 4.622 3.960 -0.000 0.000 0.291 288 G HA3 0.662 4.622 3.960 -0.000 0.000 0.291 288 G C -1.022 173.870 174.900 -0.013 0.000 1.450 288 G CA -0.435 44.640 45.100 -0.043 0.000 0.790 288 G HN 0.914 nan 8.290 nan 0.000 0.496 289 A N -0.175 122.639 122.820 -0.010 0.000 2.386 289 A HA 0.668 4.988 4.320 -0.000 0.000 0.246 289 A C 1.070 178.717 177.584 0.106 0.000 1.089 289 A CA 0.819 52.918 52.037 0.103 0.000 0.790 289 A CB 0.209 19.366 19.000 0.262 0.000 1.042 289 A HN 1.648 nan 8.150 nan 0.000 0.497 290 T N -0.466 114.190 114.554 0.170 0.000 2.928 290 T HA 0.410 4.760 4.350 -0.000 0.000 0.305 290 T C 1.468 176.294 174.700 0.209 0.000 1.035 290 T CA 1.696 63.885 62.100 0.148 0.000 1.145 290 T CB -0.171 68.771 68.868 0.123 0.000 0.963 290 T HN 2.323 nan 8.240 nan 0.000 0.545 291 G N 3.073 111.974 108.800 0.169 0.000 2.205 291 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.261 291 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.261 291 G C 1.174 176.169 174.900 0.158 0.000 0.980 291 G CA 1.233 46.466 45.100 0.222 0.000 0.632 291 G HN 1.247 nan 8.290 nan 0.000 0.533 292 T N -2.116 112.404 114.554 -0.057 0.000 2.821 292 T HA 0.335 4.685 4.350 -0.000 0.000 0.267 292 T C 2.325 177.037 174.700 0.020 0.000 1.046 292 T CA 2.078 64.031 62.100 -0.244 0.000 1.139 292 T CB -0.087 68.597 68.868 -0.307 0.000 0.871 292 T HN 2.287 nan 8.240 nan 0.000 0.454 293 G N 0.631 109.468 108.800 0.062 0.000 2.157 293 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.114 293 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.114 293 G C 0.481 175.379 174.900 -0.003 0.000 1.041 293 G CA 0.116 45.252 45.100 0.059 0.000 0.714 293 G HN 0.450 nan 8.290 nan 0.000 0.492 294 K N 0.107 120.520 120.400 0.022 0.000 2.057 294 K HA 0.036 4.356 4.320 -0.000 0.000 0.206 294 K C 2.510 179.118 176.600 0.014 0.000 1.050 294 K CA 1.972 58.266 56.287 0.010 0.000 0.935 294 K CB -0.377 32.142 32.500 0.032 0.000 0.715 294 K HN 0.286 nan 8.250 nan 0.000 0.439 295 T N 1.431 116.021 114.554 0.062 0.000 2.897 295 T HA -0.106 4.244 4.350 -0.000 0.000 0.271 295 T C 1.532 176.249 174.700 0.029 0.000 1.084 295 T CA 0.909 63.079 62.100 0.116 0.000 1.123 295 T CB -0.150 68.852 68.868 0.225 0.000 0.865 295 T HN 0.065 nan 8.240 nan 0.000 0.496 296 L N 0.834 121.930 121.223 -0.211 0.000 2.068 296 L HA 0.207 4.547 4.340 -0.000 0.000 0.204 296 L C 2.030 178.742 176.870 -0.262 0.000 1.076 296 L CA 1.488 55.975 54.840 -0.588 0.000 0.753 296 L CB -0.586 40.944 42.059 -0.881 0.000 0.910 296 L HN 0.197 nan 8.230 nan 0.000 0.439 297 L N -1.328 119.801 121.223 -0.157 0.000 2.265 297 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 297 L C 2.350 179.263 176.870 0.073 0.000 1.117 297 L CA 0.527 55.337 54.840 -0.050 0.000 0.782 297 L CB -0.588 41.443 42.059 -0.047 0.000 0.914 297 L HN 0.164 nan 8.230 nan 0.000 0.441 298 V N -1.139 118.817 119.914 0.070 0.000 2.488 298 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 298 V C 2.492 178.741 176.094 0.259 0.000 1.046 298 V CA 1.617 63.998 62.300 0.135 0.000 1.053 298 V CB 0.232 32.118 31.823 0.105 0.000 0.679 298 V HN 0.357 nan 8.190 nan 0.000 0.458 299 S N -0.100 115.757 115.700 0.262 0.000 2.345 299 S HA -0.204 4.266 4.470 -0.000 0.000 0.220 299 S C 2.120 176.922 174.600 0.338 0.000 1.031 299 S CA 1.547 60.017 58.200 0.450 0.000 0.996 299 S CB -0.350 63.114 63.200 0.442 0.000 0.882 299 S HN 0.416 nan 8.310 nan 0.000 0.445 300 R N 0.735 121.343 120.500 0.179 0.000 2.159 300 R HA 0.001 4.341 4.340 -0.000 0.000 0.237 300 R C 1.769 178.154 176.300 0.143 0.000 1.131 300 R CA 1.133 57.300 56.100 0.112 0.000 0.982 300 R CB -0.635 29.668 30.300 0.006 0.000 0.868 300 R HN 0.487 nan 8.270 nan 0.000 0.453 301 F N -1.139 118.840 119.950 0.049 0.000 2.270 301 F HA 0.007 4.534 4.527 -0.000 0.000 0.295 301 F C 1.709 177.536 175.800 0.044 0.000 1.087 301 F CA 0.804 58.834 58.000 0.050 0.000 1.365 301 F CB -0.058 39.001 39.000 0.099 0.000 1.056 301 F HN -0.170 nan 8.300 nan 0.000 0.506 302 V N 0.544 120.566 119.914 0.181 0.000 2.453 302 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 302 V C 2.409 178.480 176.094 -0.038 0.000 1.048 302 V CA 2.085 64.403 62.300 0.030 0.000 1.049 302 V CB -0.396 31.436 31.823 0.015 0.000 0.672 302 V HN 0.408 nan 8.190 nan 0.000 0.457 303 E N 0.401 120.638 120.200 0.061 0.000 2.072 303 E HA -0.267 4.083 4.350 -0.000 0.000 0.191 303 E C 2.062 178.651 176.600 -0.019 0.000 0.985 303 E CA 1.191 57.634 56.400 0.072 0.000 0.801 303 E CB -0.267 29.535 29.700 0.169 0.000 0.750 303 E HN 0.576 nan 8.360 nan 0.000 0.452 304 N N 0.458 119.114 118.700 -0.074 0.000 2.430 304 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 304 N C 1.299 176.710 175.510 -0.166 0.000 1.032 304 N CA 1.055 54.028 53.050 -0.128 0.000 0.893 304 N CB 0.021 38.399 38.487 -0.182 0.000 0.957 304 N HN 0.207 nan 8.380 nan 0.000 0.442 305 A N -0.968 121.737 122.820 -0.192 0.000 2.132 305 A HA 0.073 4.393 4.320 -0.000 0.000 0.213 305 A C 2.258 179.782 177.584 -0.101 0.000 1.154 305 A CA 0.233 52.162 52.037 -0.179 0.000 0.753 305 A CB -0.184 18.685 19.000 -0.219 0.000 0.826 305 A HN 0.497 nan 8.150 nan 0.000 0.469 306 C N -1.651 117.608 119.300 -0.068 0.000 2.791 306 C HA 0.409 4.869 4.460 -0.000 0.000 0.288 306 C C 2.866 177.840 174.990 -0.026 0.000 1.271 306 C CA 0.172 59.170 59.018 -0.034 0.000 1.726 306 C CB -0.522 27.214 27.740 -0.008 0.000 2.145 306 C HN 0.683 nan 8.230 nan 0.000 0.572 307 A N 1.209 124.008 122.820 -0.035 0.000 2.066 307 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 307 A C 1.384 178.945 177.584 -0.039 0.000 1.157 307 A CA 1.244 53.264 52.037 -0.029 0.000 0.670 307 A CB -0.298 18.682 19.000 -0.033 0.000 0.804 307 A HN 0.676 nan 8.150 nan 0.000 0.453 308 N N -0.113 118.555 118.700 -0.054 0.000 2.338 308 N HA 0.109 4.849 4.740 -0.000 0.000 0.251 308 N C -0.890 174.589 175.510 -0.052 0.000 1.199 308 N CA -0.082 52.935 53.050 -0.055 0.000 0.879 308 N CB 0.406 38.852 38.487 -0.069 0.000 1.159 308 N HN 0.345 nan 8.380 nan 0.000 0.514 309 K N 1.372 121.745 120.400 -0.045 0.000 3.730 309 K HA -0.209 4.111 4.320 -0.000 0.000 0.276 309 K C -0.815 175.749 176.600 -0.061 0.000 0.904 309 K CA 0.877 57.138 56.287 -0.043 0.000 0.741 309 K CB -1.020 31.459 32.500 -0.035 0.000 1.542 309 K HN 0.458 nan 8.250 nan 0.000 0.446 310 E N 0.520 120.677 120.200 -0.072 0.000 2.288 310 E HA 0.346 4.696 4.350 -0.000 0.000 0.268 310 E C -0.543 175.996 176.600 -0.102 0.000 0.885 310 E CA -1.126 55.218 56.400 -0.093 0.000 0.767 310 E CB 1.761 31.405 29.700 -0.093 0.000 1.220 310 E HN 0.140 nan 8.360 nan 0.000 0.427 311 R N 0.926 121.327 120.500 -0.165 0.000 2.308 311 R HA 0.601 4.941 4.340 -0.000 0.000 0.305 311 R C -0.754 175.516 176.300 -0.049 0.000 1.053 311 R CA -0.301 55.674 56.100 -0.209 0.000 0.957 311 R CB 1.201 31.059 30.300 -0.737 0.000 1.022 311 R HN 0.438 nan 8.270 nan 0.000 0.461 312 A N 4.195 127.088 122.820 0.121 0.000 2.414 312 A HA 0.614 4.934 4.320 -0.000 0.000 0.306 312 A C -0.610 177.079 177.584 0.176 0.000 1.054 312 A CA -0.769 51.343 52.037 0.124 0.000 0.724 312 A CB 1.148 20.161 19.000 0.021 0.000 1.267 312 A HN 0.651 nan 8.150 nan 0.000 0.418 313 I N 1.848 122.491 120.570 0.122 0.000 2.441 313 I HA 0.383 4.553 4.170 -0.000 0.000 0.295 313 I C -1.062 174.949 176.117 -0.177 0.000 0.994 313 I CA -0.828 60.407 61.300 -0.109 0.000 1.144 313 I CB 1.895 39.773 38.000 -0.203 0.000 1.314 313 I HN 0.516 nan 8.210 nan 0.000 0.445 314 L N 7.423 128.443 121.223 -0.338 0.000 2.318 314 L HA 0.492 4.832 4.340 -0.000 0.000 0.277 314 L C -1.343 175.338 176.870 -0.315 0.000 1.008 314 L CA -0.108 54.613 54.840 -0.198 0.000 0.846 314 L CB 0.492 42.461 42.059 -0.151 0.000 1.220 314 L HN 0.232 nan 8.230 nan 0.000 0.423 315 F N 4.825 124.752 119.950 -0.039 0.000 2.405 315 F HA 0.618 5.145 4.527 -0.000 0.000 0.358 315 F C 0.944 176.585 175.800 -0.266 0.000 1.151 315 F CA -0.249 57.654 58.000 -0.161 0.000 1.161 315 F CB 0.701 39.716 39.000 0.025 0.000 1.245 315 F HN 0.634 nan 8.300 nan 0.000 0.545 316 A N 3.502 126.173 122.820 -0.248 0.000 2.290 316 A HA 0.556 4.876 4.320 -0.000 0.000 0.310 316 A C -0.696 176.646 177.584 -0.404 0.000 1.202 316 A CA -0.329 51.604 52.037 -0.174 0.000 0.837 316 A CB 0.273 19.221 19.000 -0.087 0.000 1.139 316 A HN 0.811 nan 8.150 nan 0.000 0.509 317 Y N 0.199 120.528 120.300 0.049 0.000 2.432 317 Y HA 0.144 4.694 4.550 -0.000 0.000 0.252 317 Y C 1.694 177.593 175.900 -0.003 0.000 1.097 317 Y CA 0.155 58.259 58.100 0.006 0.000 1.250 317 Y CB 0.696 39.164 38.460 0.013 0.000 1.245 317 Y HN 0.767 nan 8.280 nan 0.000 0.522 318 E N 0.529 120.814 120.200 0.141 0.000 2.206 318 E HA 0.074 4.424 4.350 -0.000 0.000 0.195 318 E C -0.003 176.630 176.600 0.056 0.000 0.935 318 E CA 0.381 56.852 56.400 0.118 0.000 0.875 318 E CB 0.406 30.186 29.700 0.133 0.000 0.841 318 E HN 0.388 nan 8.360 nan 0.000 0.477 319 E N 1.227 121.445 120.200 0.030 0.000 2.222 319 E HA 0.280 4.630 4.350 -0.000 0.000 0.267 319 E C -0.436 176.132 176.600 -0.054 0.000 0.963 319 E CA -0.526 55.880 56.400 0.010 0.000 0.837 319 E CB 1.805 31.537 29.700 0.053 0.000 1.183 319 E HN -0.000 nan 8.360 nan 0.000 0.403 320 S N 0.766 116.435 115.700 -0.052 0.000 2.661 320 S HA 0.186 4.656 4.470 -0.000 0.000 0.265 320 S C 1.012 175.588 174.600 -0.040 0.000 1.225 320 S CA -0.570 57.583 58.200 -0.077 0.000 0.986 320 S CB 0.996 64.163 63.200 -0.055 0.000 1.008 320 S HN 0.554 nan 8.310 nan 0.000 0.565 321 R N 0.433 120.906 120.500 -0.045 0.000 2.073 321 R HA 0.042 4.382 4.340 -0.000 0.000 0.229 321 R C 2.582 178.885 176.300 0.005 0.000 1.120 321 R CA 1.159 57.247 56.100 -0.021 0.000 0.967 321 R CB -1.251 29.025 30.300 -0.040 0.000 0.862 321 R HN 0.734 nan 8.270 nan 0.000 0.436 322 A N 1.648 124.462 122.820 -0.011 0.000 1.908 322 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 322 A C 2.200 179.775 177.584 -0.014 0.000 1.181 322 A CA 1.418 53.447 52.037 -0.014 0.000 0.627 322 A CB -0.512 18.475 19.000 -0.022 0.000 0.818 322 A HN 0.380 nan 8.150 nan 0.000 0.445 323 Q N -0.679 119.114 119.800 -0.012 0.000 2.123 323 Q HA -0.030 4.310 4.340 -0.000 0.000 0.199 323 Q C 1.976 177.969 176.000 -0.011 0.000 0.966 323 Q CA 0.982 56.773 55.803 -0.020 0.000 0.845 323 Q CB -0.173 28.559 28.738 -0.011 0.000 0.907 323 Q HN 0.685 nan 8.270 nan 0.000 0.439 324 L N 0.482 121.731 121.223 0.044 0.000 2.261 324 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 324 L C 2.154 179.084 176.870 0.100 0.000 1.114 324 L CA 0.677 55.592 54.840 0.124 0.000 0.777 324 L CB -0.128 42.053 42.059 0.204 0.000 0.910 324 L HN 0.320 nan 8.230 nan 0.000 0.440 325 L N -1.155 120.102 121.223 0.058 0.000 2.102 325 L HA -0.116 4.224 4.340 -0.000 0.000 0.202 325 L C 2.777 179.593 176.870 -0.090 0.000 1.076 325 L CA 0.733 55.579 54.840 0.010 0.000 0.761 325 L CB -0.305 41.777 42.059 0.038 0.000 0.921 325 L HN 0.177 nan 8.230 nan 0.000 0.444 326 R N 0.369 120.812 120.500 -0.095 0.000 2.080 326 R HA -0.183 4.157 4.340 -0.000 0.000 0.236 326 R C 2.030 178.203 176.300 -0.212 0.000 1.137 326 R CA 1.956 57.985 56.100 -0.119 0.000 0.943 326 R CB -0.164 30.071 30.300 -0.109 0.000 0.846 326 R HN 0.411 nan 8.270 nan 0.000 0.431 327 N N 0.650 119.157 118.700 -0.323 0.000 2.120 327 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 327 N C 1.715 176.751 175.510 -0.790 0.000 1.024 327 N CA 1.373 54.006 53.050 -0.695 0.000 0.852 327 N CB -0.456 37.599 38.487 -0.720 0.000 1.003 327 N HN 0.313 nan 8.380 nan 0.000 0.424 328 A N 1.033 123.589 122.820 -0.440 0.000 1.859 328 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 328 A C 2.178 179.615 177.584 -0.245 0.000 1.198 328 A CA 1.426 53.202 52.037 -0.435 0.000 0.629 328 A CB -1.314 17.024 19.000 -1.104 0.000 0.830 328 A HN 0.349 nan 8.150 nan 0.000 0.446 329 Y N 1.349 121.461 120.300 -0.312 0.000 2.207 329 Y HA -0.194 4.356 4.550 -0.000 0.000 0.287 329 Y C 2.736 178.538 175.900 -0.162 0.000 1.156 329 Y CA 1.672 59.660 58.100 -0.185 0.000 1.182 329 Y CB -0.314 38.059 38.460 -0.146 0.000 0.979 329 Y HN 0.306 nan 8.280 nan 0.000 0.521 330 S N -1.316 114.266 115.700 -0.197 0.000 2.507 330 S HA -0.150 4.320 4.470 -0.000 0.000 0.235 330 S C 0.906 175.380 174.600 -0.209 0.000 0.988 330 S CA 0.813 58.852 58.200 -0.270 0.000 0.944 330 S CB -0.324 62.635 63.200 -0.403 0.000 0.762 330 S HN 0.562 nan 8.310 nan 0.000 0.526 331 W N 1.101 122.329 121.300 -0.119 0.000 3.132 331 W HA 0.455 5.115 4.660 -0.000 0.000 0.364 331 W C 1.366 177.804 176.519 -0.135 0.000 1.129 331 W CA 0.171 57.455 57.345 -0.101 0.000 1.815 331 W CB -0.740 28.672 29.460 -0.080 0.000 1.099 331 W HN 0.406 nan 8.180 nan 0.000 0.605 332 G N 1.729 110.507 108.800 -0.038 0.000 3.035 332 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.242 332 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.242 332 G C 0.363 175.185 174.900 -0.129 0.000 1.524 332 G CA -0.146 44.876 45.100 -0.129 0.000 1.038 332 G HN 0.140 nan 8.290 nan 0.000 0.561 333 M N 0.790 120.376 119.600 -0.024 0.000 2.136 333 M HA -0.044 4.436 4.480 -0.000 0.000 0.564 333 M C -0.670 175.656 176.300 0.043 0.000 1.234 333 M CA 1.500 56.822 55.300 0.036 0.000 0.577 333 M CB -0.447 32.209 32.600 0.094 0.000 1.911 333 M HN 0.526 nan 8.290 nan 0.000 0.583 334 D N 4.505 124.995 120.400 0.149 0.000 2.441 334 D HA 0.273 4.913 4.640 -0.000 0.000 0.221 334 D C 0.262 176.762 176.300 0.334 0.000 1.156 334 D CA -0.203 53.941 54.000 0.241 0.000 0.896 334 D CB 0.095 41.027 40.800 0.220 0.000 1.028 334 D HN 0.705 nan 8.370 nan 0.000 0.509 335 F N 1.376 121.396 119.950 0.116 0.000 2.234 335 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 335 F C 2.252 178.078 175.800 0.042 0.000 1.087 335 F CA 0.065 58.107 58.000 0.070 0.000 1.340 335 F CB 0.464 39.502 39.000 0.063 0.000 1.031 335 F HN 0.347 nan 8.300 nan 0.000 0.500 336 E N 0.689 121.029 120.200 0.232 0.000 2.049 336 E HA -0.276 4.074 4.350 -0.000 0.000 0.198 336 E C 1.861 178.516 176.600 0.090 0.000 1.007 336 E CA 1.507 57.975 56.400 0.113 0.000 0.809 336 E CB -0.421 29.313 29.700 0.057 0.000 0.749 336 E HN 0.350 nan 8.360 nan 0.000 0.450 337 E N 0.371 120.635 120.200 0.107 0.000 2.038 337 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 337 E C 2.073 178.715 176.600 0.069 0.000 1.000 337 E CA 1.258 57.706 56.400 0.080 0.000 0.803 337 E CB -0.177 29.576 29.700 0.088 0.000 0.750 337 E HN 0.113 nan 8.360 nan 0.000 0.448 338 M N 0.584 120.236 119.600 0.087 0.000 2.116 338 M HA -0.236 4.244 4.480 -0.000 0.000 0.255 338 M C 1.984 178.298 176.300 0.024 0.000 1.075 338 M CA 1.799 57.127 55.300 0.047 0.000 1.087 338 M CB -1.242 31.368 32.600 0.017 0.000 1.340 338 M HN 0.236 nan 8.290 nan 0.000 0.402 339 E N 0.031 120.240 120.200 0.015 0.000 2.031 339 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 339 E C 2.180 178.787 176.600 0.012 0.000 0.994 339 E CA 1.117 57.513 56.400 -0.007 0.000 0.800 339 E CB -0.266 29.425 29.700 -0.016 0.000 0.752 339 E HN 0.575 nan 8.360 nan 0.000 0.447 340 R N 1.090 121.603 120.500 0.021 0.000 2.080 340 R HA -0.156 4.184 4.340 -0.000 0.000 0.236 340 R C 2.294 178.612 176.300 0.030 0.000 1.137 340 R CA 1.351 57.465 56.100 0.022 0.000 0.943 340 R CB -0.341 29.973 30.300 0.023 0.000 0.846 340 R HN 0.221 nan 8.270 nan 0.000 0.431 341 Q N 0.660 120.481 119.800 0.035 0.000 2.561 341 Q HA -0.100 4.240 4.340 -0.000 0.000 0.217 341 Q C -0.161 175.870 176.000 0.053 0.000 0.980 341 Q CA 0.261 56.085 55.803 0.036 0.000 0.927 341 Q CB -0.257 28.500 28.738 0.032 0.000 0.980 341 Q HN 0.304 nan 8.270 nan 0.000 0.525 342 N N -0.864 117.880 118.700 0.073 0.000 2.696 342 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 342 N C -0.030 175.604 175.510 0.206 0.000 1.090 342 N CA 0.497 53.633 53.050 0.143 0.000 0.716 342 N CB -0.786 37.779 38.487 0.130 0.000 1.020 342 N HN 0.317 nan 8.380 nan 0.000 0.548 343 L N -1.784 119.529 121.223 0.149 0.000 2.470 343 L HA 0.237 4.577 4.340 -0.000 0.000 0.219 343 L C 0.512 177.502 176.870 0.200 0.000 1.071 343 L CA 0.255 55.165 54.840 0.117 0.000 0.850 343 L CB 0.216 42.295 42.059 0.034 0.000 1.040 343 L HN 0.228 nan 8.230 nan 0.000 0.475 344 L N 1.105 122.417 121.223 0.150 0.000 2.381 344 L HA 0.442 4.782 4.340 -0.000 0.000 0.274 344 L C -1.158 175.641 176.870 -0.118 0.000 0.988 344 L CA -0.213 54.646 54.840 0.032 0.000 0.824 344 L CB 1.852 43.839 42.059 -0.119 0.000 1.263 344 L HN 0.009 nan 8.230 nan 0.000 0.410 345 K N 6.165 126.401 120.400 -0.273 0.000 2.450 345 K HA 0.559 4.879 4.320 -0.000 0.000 0.257 345 K C -1.242 175.107 176.600 -0.419 0.000 0.953 345 K CA -0.576 55.412 56.287 -0.499 0.000 0.844 345 K CB 1.473 33.341 32.500 -1.053 0.000 1.103 345 K HN 0.669 nan 8.250 nan 0.000 0.429 346 I N 5.486 125.854 120.570 -0.337 0.000 2.321 346 I HA 0.099 4.269 4.170 -0.000 0.000 0.291 346 I C 0.983 176.928 176.117 -0.286 0.000 0.998 346 I CA -0.627 60.492 61.300 -0.301 0.000 1.227 346 I CB 1.654 39.531 38.000 -0.206 0.000 1.368 346 I HN 0.488 nan 8.210 nan 0.000 0.466 347 V N 4.204 123.914 119.914 -0.340 0.000 2.339 347 V HA -0.018 4.102 4.120 -0.000 0.000 0.234 347 V C 0.449 176.428 176.094 -0.191 0.000 1.053 347 V CA 0.278 62.425 62.300 -0.255 0.000 1.042 347 V CB -0.224 31.449 31.823 -0.249 0.000 0.678 347 V HN 0.985 nan 8.190 nan 0.000 0.475 348 C N 0.372 119.527 119.300 -0.241 0.000 0.399 348 C HA 0.331 4.791 4.460 -0.000 0.000 0.064 348 C C 0.062 174.932 174.990 -0.201 0.000 0.220 348 C CA -0.700 58.171 59.018 -0.245 0.000 1.056 348 C CB -2.369 25.265 27.740 -0.176 0.000 3.131 348 C HN 1.420 nan 8.230 nan 0.000 1.076 349 A N 3.318 125.997 122.820 -0.234 0.000 2.581 349 A HA 0.659 4.979 4.320 -0.000 0.000 0.294 349 A C -1.202 176.425 177.584 0.072 0.000 1.035 349 A CA -0.700 51.304 52.037 -0.055 0.000 0.684 349 A CB 0.543 19.622 19.000 0.131 0.000 1.282 349 A HN 1.133 nan 8.150 nan 0.000 0.417 350 Y N 1.292 121.708 120.300 0.192 0.000 2.359 350 Y HA 0.285 4.835 4.550 -0.000 0.000 0.330 350 Y C -1.422 174.612 175.900 0.223 0.000 1.143 350 Y CA -1.029 57.182 58.100 0.186 0.000 1.318 350 Y CB 0.947 39.477 38.460 0.118 0.000 1.234 350 Y HN 0.538 nan 8.280 nan 0.000 0.522 351 P HA -0.176 nan 4.420 nan 0.000 0.218 351 P C 0.808 178.245 177.300 0.228 0.000 1.148 351 P CA 1.421 64.531 63.100 0.018 0.000 0.822 351 P CB 0.327 31.946 31.700 -0.136 0.000 0.784 352 E N -0.577 119.734 120.200 0.185 0.000 2.333 352 E HA -0.123 4.227 4.350 -0.000 0.000 0.198 352 E C 1.807 178.497 176.600 0.150 0.000 1.007 352 E CA 1.238 57.710 56.400 0.119 0.000 0.845 352 E CB -0.899 28.817 29.700 0.025 0.000 0.766 352 E HN 0.317 nan 8.360 nan 0.000 0.507 353 S N -1.144 114.704 115.700 0.246 0.000 2.603 353 S HA 0.317 4.787 4.470 -0.000 0.000 0.229 353 S C 0.733 175.388 174.600 0.091 0.000 0.972 353 S CA 0.197 58.510 58.200 0.188 0.000 0.935 353 S CB 0.099 63.452 63.200 0.254 0.000 0.769 353 S HN 0.208 nan 8.310 nan 0.000 0.536 354 A N -0.470 122.396 122.820 0.078 0.000 2.483 354 A HA 0.765 5.085 4.320 -0.000 0.000 0.306 354 A C -0.143 177.405 177.584 -0.059 0.000 1.137 354 A CA -0.490 51.460 52.037 -0.145 0.000 0.626 354 A CB 0.098 18.746 19.000 -0.587 0.000 1.352 354 A HN 0.683 nan 8.150 nan 0.000 0.508 355 G N -1.434 107.299 108.800 -0.111 0.000 2.509 355 G HA2 0.535 4.494 3.960 -0.000 0.000 0.328 355 G HA3 0.535 4.494 3.960 -0.000 0.000 0.328 355 G C 0.301 175.222 174.900 0.035 0.000 1.194 355 G CA -0.517 44.578 45.100 -0.008 0.000 0.967 355 G HN 0.607 nan 8.290 nan 0.000 0.488 356 L N 0.126 121.363 121.223 0.024 0.000 2.042 356 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 356 L C 2.984 179.917 176.870 0.105 0.000 1.076 356 L CA 2.381 57.212 54.840 -0.013 0.000 0.749 356 L CB -0.709 41.311 42.059 -0.064 0.000 0.893 356 L HN 0.898 nan 8.230 nan 0.000 0.432 357 E N -0.938 119.288 120.200 0.043 0.000 2.049 357 E HA -0.279 4.071 4.350 -0.000 0.000 0.198 357 E C 1.595 178.179 176.600 -0.026 0.000 1.007 357 E CA 1.737 58.131 56.400 -0.010 0.000 0.809 357 E CB -0.684 29.046 29.700 0.051 0.000 0.749 357 E HN 0.479 nan 8.360 nan 0.000 0.450 358 D N 0.599 121.002 120.400 0.004 0.000 2.092 358 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 358 D C 2.043 178.348 176.300 0.008 0.000 0.994 358 D CA 1.398 55.392 54.000 -0.010 0.000 0.828 358 D CB -0.474 40.255 40.800 -0.118 0.000 0.963 358 D HN 0.360 nan 8.370 nan 0.000 0.450 359 H N 0.594 119.721 119.070 0.095 0.000 2.457 359 H HA -0.066 4.490 4.556 -0.000 0.000 0.297 359 H C 2.223 177.680 175.328 0.215 0.000 1.092 359 H CA 0.337 56.483 56.048 0.163 0.000 1.309 359 H CB -0.155 29.646 29.762 0.065 0.000 1.382 359 H HN 0.179 nan 8.280 nan 0.000 0.535 360 L N 0.632 122.010 121.223 0.259 0.000 2.156 360 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 360 L C 2.341 179.125 176.870 -0.143 0.000 1.095 360 L CA 1.263 56.076 54.840 -0.045 0.000 0.770 360 L CB -0.234 41.627 42.059 -0.330 0.000 0.914 360 L HN 0.278 nan 8.230 nan 0.000 0.439 361 Q N -0.255 119.512 119.800 -0.055 0.000 2.096 361 Q HA -0.173 4.167 4.340 -0.000 0.000 0.197 361 Q C 2.202 178.295 176.000 0.155 0.000 0.964 361 Q CA 1.097 56.981 55.803 0.135 0.000 0.838 361 Q CB 0.187 29.131 28.738 0.343 0.000 0.906 361 Q HN 0.428 nan 8.270 nan 0.000 0.444 362 I N 1.111 121.781 120.570 0.168 0.000 2.264 362 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 362 I C 2.225 178.497 176.117 0.258 0.000 1.111 362 I CA 1.320 62.748 61.300 0.213 0.000 1.382 362 I CB -0.989 37.159 38.000 0.247 0.000 1.060 362 I HN 0.336 nan 8.210 nan 0.000 0.418 363 I N 0.516 121.192 120.570 0.176 0.000 2.233 363 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 363 I C 2.521 178.739 176.117 0.167 0.000 1.093 363 I CA 1.142 62.483 61.300 0.067 0.000 1.380 363 I CB -0.326 37.528 38.000 -0.243 0.000 1.067 363 I HN 0.145 nan 8.210 nan 0.000 0.413 364 K N 0.230 120.665 120.400 0.059 0.000 2.057 364 K HA -0.168 4.151 4.320 -0.000 0.000 0.207 364 K C 2.379 179.100 176.600 0.202 0.000 1.049 364 K CA 1.660 57.969 56.287 0.037 0.000 0.931 364 K CB -0.231 32.081 32.500 -0.313 0.000 0.714 364 K HN 0.146 nan 8.250 nan 0.000 0.440 365 S N 1.089 116.904 115.700 0.191 0.000 2.356 365 S HA -0.193 4.277 4.470 -0.000 0.000 0.223 365 S C 1.944 176.684 174.600 0.233 0.000 1.032 365 S CA 1.525 59.848 58.200 0.205 0.000 1.005 365 S CB -0.127 63.187 63.200 0.191 0.000 0.867 365 S HN 0.222 nan 8.310 nan 0.000 0.449 366 E N 0.730 121.093 120.200 0.271 0.000 2.204 366 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 366 E C 1.764 178.557 176.600 0.322 0.000 0.990 366 E CA 1.122 57.688 56.400 0.276 0.000 0.821 366 E CB -0.274 29.639 29.700 0.355 0.000 0.750 366 E HN 0.660 nan 8.360 nan 0.000 0.477 367 I N 0.511 121.307 120.570 0.376 0.000 2.286 367 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 367 I C 1.867 178.157 176.117 0.289 0.000 1.104 367 I CA 0.693 62.215 61.300 0.371 0.000 1.397 367 I CB -0.334 37.919 38.000 0.421 0.000 1.072 367 I HN 0.154 nan 8.210 nan 0.000 0.417 368 N N 1.161 120.023 118.700 0.269 0.000 2.039 368 N HA -0.175 4.565 4.740 -0.000 0.000 0.193 368 N C 1.268 176.885 175.510 0.177 0.000 1.044 368 N CA 1.542 54.714 53.050 0.205 0.000 0.847 368 N CB -0.544 38.060 38.487 0.195 0.000 1.030 368 N HN 0.354 nan 8.380 nan 0.000 0.422 369 D N -0.421 120.094 120.400 0.192 0.000 2.351 369 D HA -0.114 4.525 4.640 -0.000 0.000 0.216 369 D C 0.971 177.426 176.300 0.260 0.000 0.968 369 D CA 0.560 54.669 54.000 0.182 0.000 0.899 369 D CB -0.099 40.796 40.800 0.159 0.000 0.907 369 D HN 0.232 nan 8.370 nan 0.000 0.514 370 F N 0.867 120.856 119.950 0.064 0.000 2.784 370 F HA 0.087 4.614 4.527 -0.000 0.000 0.323 370 F C -0.145 175.679 175.800 0.040 0.000 1.085 370 F CA -0.361 57.663 58.000 0.041 0.000 1.196 370 F CB 0.376 39.393 39.000 0.028 0.000 1.053 370 F HN -0.234 nan 8.300 nan 0.000 0.578 371 K N 0.317 120.745 120.400 0.046 0.000 3.311 371 K HA -0.216 4.103 4.320 -0.000 0.000 0.270 371 K C -2.743 173.787 176.600 -0.117 0.000 0.927 371 K CA 0.537 56.802 56.287 -0.037 0.000 0.706 371 K CB -3.074 29.385 32.500 -0.069 0.000 1.418 371 K HN 0.176 nan 8.250 nan 0.000 0.459 372 P HA 0.070 nan 4.420 nan 0.000 0.269 372 P C 0.560 177.856 177.300 -0.007 0.000 1.217 372 P CA 0.405 63.502 63.100 -0.004 0.000 0.783 372 P CB 1.061 32.866 31.700 0.175 0.000 0.898 373 A N 2.232 125.043 122.820 -0.014 0.000 2.070 373 A HA 0.183 4.503 4.320 -0.000 0.000 0.202 373 A C 0.745 178.355 177.584 0.042 0.000 1.277 373 A CA 0.662 52.695 52.037 -0.006 0.000 0.872 373 A CB 0.185 19.160 19.000 -0.042 0.000 0.933 373 A HN 0.428 nan 8.150 nan 0.000 0.475 374 R N -0.818 119.719 120.500 0.061 0.000 2.750 374 R HA 0.770 5.110 4.340 -0.000 0.000 0.281 374 R C -1.686 174.747 176.300 0.222 0.000 0.972 374 R CA -0.380 55.809 56.100 0.149 0.000 0.912 374 R CB 2.003 32.306 30.300 0.004 0.000 1.187 374 R HN 0.263 nan 8.270 nan 0.000 0.464 375 I N 0.798 121.538 120.570 0.285 0.000 2.769 375 I HA 0.607 4.777 4.170 -0.000 0.000 0.298 375 I C -1.161 175.030 176.117 0.124 0.000 1.128 375 I CA -0.757 60.691 61.300 0.246 0.000 1.031 375 I CB 2.412 40.564 38.000 0.253 0.000 1.235 375 I HN 0.721 nan 8.210 nan 0.000 0.423 376 A N 6.943 129.853 122.820 0.149 0.000 2.429 376 A HA 0.709 5.029 4.320 -0.000 0.000 0.289 376 A C -1.196 176.486 177.584 0.164 0.000 1.043 376 A CA -0.314 51.717 52.037 -0.011 0.000 0.722 376 A CB 0.990 20.024 19.000 0.057 0.000 1.243 376 A HN 0.574 nan 8.150 nan 0.000 0.415 377 I N 2.560 123.175 120.570 0.075 0.000 2.371 377 I HA 0.191 4.361 4.170 -0.000 0.000 0.282 377 I C -0.619 175.675 176.117 0.294 0.000 1.031 377 I CA -0.514 60.992 61.300 0.343 0.000 1.180 377 I CB 1.437 39.707 38.000 0.450 0.000 1.336 377 I HN 0.584 nan 8.210 nan 0.000 0.467 378 D N 5.739 126.311 120.400 0.287 0.000 2.344 378 D HA 0.085 4.725 4.640 -0.000 0.000 0.253 378 D C 0.088 176.555 176.300 0.279 0.000 1.255 378 D CA 0.897 55.035 54.000 0.229 0.000 0.894 378 D CB 0.545 41.457 40.800 0.185 0.000 1.067 378 D HN 0.555 nan 8.370 nan 0.000 0.492 379 S N 3.101 118.934 115.700 0.222 0.000 3.740 379 S HA -0.139 4.331 4.470 -0.000 0.000 0.713 379 S C 1.070 175.767 174.600 0.163 0.000 0.505 379 S CA -0.218 58.087 58.200 0.176 0.000 1.448 379 S CB -1.296 61.995 63.200 0.152 0.000 0.874 379 S HN 0.555 nan 8.310 nan 0.000 1.048 380 L N 3.373 124.712 121.223 0.194 0.000 2.156 380 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 380 L C 2.569 179.533 176.870 0.157 0.000 1.095 380 L CA 1.534 56.521 54.840 0.246 0.000 0.770 380 L CB -0.567 41.689 42.059 0.329 0.000 0.914 380 L HN 0.870 nan 8.230 nan 0.000 0.439 381 S N 0.082 115.819 115.700 0.062 0.000 2.442 381 S HA -0.126 4.344 4.470 -0.000 0.000 0.236 381 S C 1.975 176.508 174.600 -0.112 0.000 1.007 381 S CA 0.831 58.980 58.200 -0.084 0.000 0.965 381 S CB -0.319 62.856 63.200 -0.042 0.000 0.773 381 S HN 0.366 nan 8.310 nan 0.000 0.504 382 A N 0.990 123.782 122.820 -0.048 0.000 2.123 382 A HA 0.438 4.757 4.320 -0.000 0.000 0.214 382 A C 2.028 179.526 177.584 -0.143 0.000 1.152 382 A CA 0.362 52.371 52.037 -0.046 0.000 0.728 382 A CB -0.411 18.619 19.000 0.051 0.000 0.814 382 A HN 0.527 nan 8.150 nan 0.000 0.464 383 L N -1.310 119.780 121.223 -0.221 0.000 2.477 383 L HA 0.107 4.447 4.340 -0.000 0.000 0.220 383 L C 2.542 179.241 176.870 -0.284 0.000 1.106 383 L CA 0.614 55.248 54.840 -0.343 0.000 0.851 383 L CB -0.053 41.693 42.059 -0.522 0.000 0.994 383 L HN 0.363 nan 8.230 nan 0.000 0.462 384 A N 0.072 122.652 122.820 -0.400 0.000 2.209 384 A HA -0.006 4.314 4.320 -0.000 0.000 0.212 384 A C 0.997 178.353 177.584 -0.380 0.000 1.158 384 A CA -0.001 51.612 52.037 -0.707 0.000 0.742 384 A CB -0.390 17.912 19.000 -1.164 0.000 0.790 384 A HN 0.265 nan 8.150 nan 0.000 0.472 385 R N -0.765 119.588 120.500 -0.245 0.000 2.585 385 R HA 0.306 4.646 4.340 -0.000 0.000 0.275 385 R C 1.569 177.792 176.300 -0.128 0.000 1.018 385 R CA 0.598 56.604 56.100 -0.156 0.000 1.072 385 R CB 0.033 30.272 30.300 -0.102 0.000 0.953 385 R HN 0.507 nan 8.270 nan 0.000 0.419 386 G N 1.995 110.733 108.800 -0.102 0.000 5.359 386 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.333 386 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.333 386 G C 0.240 175.095 174.900 -0.075 0.000 1.365 386 G CA 0.224 45.279 45.100 -0.075 0.000 1.008 386 G HN 0.537 nan 8.290 nan 0.000 0.816 387 V N 2.924 122.793 119.914 -0.074 0.000 2.931 387 V HA 0.233 4.352 4.120 -0.000 0.000 0.290 387 V C 1.707 177.773 176.094 -0.046 0.000 1.315 387 V CA 1.025 63.296 62.300 -0.049 0.000 1.393 387 V CB 0.463 32.263 31.823 -0.038 0.000 0.887 387 V HN 1.691 nan 8.190 nan 0.000 0.520 388 S N 3.786 119.480 115.700 -0.009 0.000 2.641 388 S HA 0.004 4.474 4.470 -0.000 0.000 0.251 388 S C 1.132 175.748 174.600 0.027 0.000 1.332 388 S CA 0.495 58.695 58.200 -0.000 0.000 0.968 388 S CB 0.347 63.555 63.200 0.014 0.000 0.987 388 S HN 0.850 nan 8.310 nan 0.000 0.587 389 N N 0.733 119.454 118.700 0.034 0.000 2.290 389 N HA -0.068 4.672 4.740 -0.000 0.000 0.179 389 N C 1.116 176.709 175.510 0.138 0.000 1.016 389 N CA 0.728 53.827 53.050 0.080 0.000 0.871 389 N CB -0.576 37.940 38.487 0.047 0.000 0.987 389 N HN 0.599 nan 8.380 nan 0.000 0.431 390 N N 1.170 119.921 118.700 0.086 0.000 2.270 390 N HA -0.018 4.722 4.740 -0.000 0.000 0.181 390 N C 1.605 177.161 175.510 0.076 0.000 1.016 390 N CA 0.870 53.963 53.050 0.071 0.000 0.870 390 N CB -0.315 38.195 38.487 0.039 0.000 0.979 390 N HN 0.288 nan 8.380 nan 0.000 0.431 391 A N 0.380 123.252 122.820 0.085 0.000 1.972 391 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 391 A C 2.032 179.700 177.584 0.140 0.000 1.169 391 A CA 0.789 52.879 52.037 0.087 0.000 0.635 391 A CB -0.716 18.326 19.000 0.069 0.000 0.810 391 A HN 0.261 nan 8.150 nan 0.000 0.446 392 F N 0.392 120.343 119.950 0.001 0.000 2.074 392 F HA -0.049 4.478 4.527 -0.000 0.000 0.293 392 F C 2.322 178.155 175.800 0.054 0.000 1.116 392 F CA 1.636 59.643 58.000 0.012 0.000 1.212 392 F CB -0.442 38.536 39.000 -0.037 0.000 0.998 392 F HN 0.085 nan 8.300 nan 0.000 0.471 393 R N -0.046 120.456 120.500 0.004 0.000 2.139 393 R HA -0.249 4.091 4.340 -0.000 0.000 0.243 393 R C 2.365 178.579 176.300 -0.145 0.000 1.145 393 R CA 1.805 57.833 56.100 -0.120 0.000 0.976 393 R CB -0.487 29.815 30.300 0.003 0.000 0.866 393 R HN 0.500 nan 8.270 nan 0.000 0.449 394 Q N -0.644 119.119 119.800 -0.062 0.000 2.172 394 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 394 Q C 1.684 177.629 176.000 -0.092 0.000 0.964 394 Q CA 1.109 56.882 55.803 -0.049 0.000 0.855 394 Q CB 0.024 28.767 28.738 0.008 0.000 0.918 394 Q HN 0.289 nan 8.270 nan 0.000 0.444 395 F N -0.078 119.719 119.950 -0.255 0.000 2.163 395 F HA -0.150 4.377 4.527 -0.000 0.000 0.297 395 F C 1.818 177.384 175.800 -0.390 0.000 1.094 395 F CA 0.997 58.818 58.000 -0.298 0.000 1.290 395 F CB -0.179 38.644 39.000 -0.296 0.000 1.017 395 F HN -0.149 nan 8.300 nan 0.000 0.483 396 V N 0.910 120.527 119.914 -0.496 0.000 2.343 396 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 396 V C 2.462 178.284 176.094 -0.454 0.000 1.051 396 V CA 1.471 63.420 62.300 -0.584 0.000 1.036 396 V CB -0.720 30.751 31.823 -0.587 0.000 0.654 396 V HN 0.315 nan 8.190 nan 0.000 0.451 397 I N 1.169 121.550 120.570 -0.315 0.000 2.226 397 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 397 I C 2.610 178.596 176.117 -0.218 0.000 1.100 397 I CA 1.882 63.055 61.300 -0.212 0.000 1.374 397 I CB -2.040 35.885 38.000 -0.126 0.000 1.057 397 I HN 0.370 nan 8.210 nan 0.000 0.413 398 G N 1.177 109.803 108.800 -0.290 0.000 2.511 398 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.216 398 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.216 398 G C 1.578 176.310 174.900 -0.280 0.000 1.218 398 G CA 1.098 46.022 45.100 -0.292 0.000 0.788 398 G HN 0.300 nan 8.290 nan 0.000 0.560 399 V N 0.673 120.300 119.914 -0.479 0.000 3.510 399 V HA 0.028 4.148 4.120 -0.000 0.000 0.270 399 V C 2.547 178.579 176.094 -0.102 0.000 1.201 399 V CA 1.722 63.854 62.300 -0.280 0.000 1.166 399 V CB -0.032 31.529 31.823 -0.437 0.000 0.825 399 V HN 0.377 nan 8.190 nan 0.000 0.484 400 T N 0.271 114.701 114.554 -0.208 0.000 2.953 400 T HA 0.088 4.438 4.350 -0.000 0.000 0.247 400 T C 1.903 176.595 174.700 -0.013 0.000 1.029 400 T CA 1.259 63.274 62.100 -0.142 0.000 1.144 400 T CB 0.061 68.756 68.868 -0.288 0.000 0.870 400 T HN 0.552 nan 8.240 nan 0.000 0.446 401 G N -0.430 108.358 108.800 -0.020 0.000 2.408 401 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.215 401 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.215 401 G C 1.358 176.302 174.900 0.074 0.000 1.156 401 G CA 0.387 45.500 45.100 0.022 0.000 0.793 401 G HN 0.498 nan 8.290 nan 0.000 0.535 402 Y N 2.185 122.474 120.300 -0.019 0.000 2.256 402 Y HA -0.060 4.490 4.550 -0.000 0.000 0.288 402 Y C 2.761 178.686 175.900 0.041 0.000 1.155 402 Y CA 1.154 59.262 58.100 0.013 0.000 1.203 402 Y CB -0.202 38.257 38.460 -0.000 0.000 0.980 402 Y HN 0.242 nan 8.280 nan 0.000 0.530 403 A N -0.246 122.602 122.820 0.045 0.000 1.930 403 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 403 A C 2.263 179.844 177.584 -0.004 0.000 1.176 403 A CA 1.277 53.325 52.037 0.018 0.000 0.632 403 A CB -0.430 18.667 19.000 0.161 0.000 0.819 403 A HN 0.419 nan 8.150 nan 0.000 0.445 404 K N -0.112 120.300 120.400 0.020 0.000 2.057 404 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 404 K C 2.396 178.988 176.600 -0.013 0.000 1.049 404 K CA 1.801 58.097 56.287 0.015 0.000 0.931 404 K CB -0.168 32.342 32.500 0.017 0.000 0.714 404 K HN 0.843 nan 8.250 nan 0.000 0.440 405 Q N 0.051 119.828 119.800 -0.038 0.000 2.187 405 Q HA -0.100 4.239 4.340 -0.000 0.000 0.199 405 Q C 1.377 177.329 176.000 -0.081 0.000 0.957 405 Q CA 1.093 56.869 55.803 -0.045 0.000 0.857 405 Q CB -0.004 28.716 28.738 -0.030 0.000 0.929 405 Q HN 0.035 nan 8.270 nan 0.000 0.453 406 E N 0.503 120.609 120.200 -0.156 0.000 2.511 406 E HA -0.104 4.245 4.350 -0.000 0.000 0.196 406 E C -0.059 176.494 176.600 -0.078 0.000 1.066 406 E CA 0.432 56.730 56.400 -0.170 0.000 0.871 406 E CB 0.189 29.695 29.700 -0.323 0.000 0.863 406 E HN 0.322 nan 8.360 nan 0.000 0.520 407 E N -1.321 118.855 120.200 -0.040 0.000 4.153 407 E HA -0.236 4.114 4.350 -0.000 0.000 0.376 407 E C -0.080 176.535 176.600 0.025 0.000 0.598 407 E CA 0.768 57.168 56.400 0.001 0.000 1.343 407 E CB -1.937 27.763 29.700 -0.000 0.000 1.793 407 E HN 0.358 nan 8.360 nan 0.000 0.392 408 I N 2.316 122.895 120.570 0.015 0.000 2.775 408 I HA -0.049 4.121 4.170 -0.000 0.000 0.290 408 I C 0.819 176.998 176.117 0.102 0.000 1.203 408 I CA 0.956 62.289 61.300 0.055 0.000 1.433 408 I CB 0.237 38.268 38.000 0.053 0.000 1.354 408 I HN -0.172 nan 8.210 nan 0.000 0.579 409 T N 5.024 119.666 114.554 0.145 0.000 2.767 409 T HA 0.511 4.861 4.350 -0.000 0.000 0.288 409 T C 0.294 175.132 174.700 0.230 0.000 0.963 409 T CA -0.574 61.657 62.100 0.217 0.000 1.019 409 T CB 1.347 70.398 68.868 0.305 0.000 0.923 409 T HN 0.862 nan 8.240 nan 0.000 0.468 410 G N 1.943 110.796 108.800 0.089 0.000 2.542 410 G HA2 0.618 4.578 3.960 -0.000 0.000 0.311 410 G HA3 0.618 4.578 3.960 -0.000 0.000 0.311 410 G C -1.640 172.956 174.900 -0.507 0.000 1.298 410 G CA -0.630 44.348 45.100 -0.203 0.000 0.973 410 G HN 0.641 nan 8.290 nan 0.000 0.487 411 L N 1.742 122.484 121.223 -0.801 0.000 2.298 411 L HA 0.737 5.077 4.340 -0.000 0.000 0.284 411 L C -1.395 175.078 176.870 -0.661 0.000 1.013 411 L CA -0.897 53.466 54.840 -0.795 0.000 0.824 411 L CB 0.543 41.916 42.059 -1.144 0.000 1.221 411 L HN 0.360 nan 8.230 nan 0.000 0.418 412 F N 2.616 122.481 119.950 -0.141 0.000 2.443 412 F HA 0.562 5.089 4.527 -0.000 0.000 0.335 412 F C 0.779 176.557 175.800 -0.035 0.000 1.104 412 F CA -0.509 57.464 58.000 -0.045 0.000 1.013 412 F CB 1.923 40.905 39.000 -0.029 0.000 1.136 412 F HN 0.337 nan 8.300 nan 0.000 0.470 413 T N 2.228 116.894 114.554 0.186 0.000 2.907 413 T HA 0.358 4.708 4.350 -0.000 0.000 0.284 413 T C -0.883 173.893 174.700 0.126 0.000 1.004 413 T CA -0.671 61.501 62.100 0.120 0.000 1.063 413 T CB 1.029 69.965 68.868 0.113 0.000 0.992 413 T HN 0.507 nan 8.240 nan 0.000 0.483 414 N N 0.792 119.538 118.700 0.077 0.000 2.478 414 N HA 0.271 5.011 4.740 -0.000 0.000 0.291 414 N C -1.464 174.063 175.510 0.029 0.000 1.090 414 N CA -0.431 52.653 53.050 0.056 0.000 0.911 414 N CB 1.480 39.995 38.487 0.046 0.000 1.546 414 N HN 0.374 nan 8.380 nan 0.000 0.500 415 T N 1.754 116.325 114.554 0.028 0.000 2.811 415 T HA 0.228 4.578 4.350 -0.000 0.000 0.309 415 T C 0.002 174.708 174.700 0.009 0.000 1.005 415 T CA -0.517 61.599 62.100 0.027 0.000 0.955 415 T CB -0.224 68.670 68.868 0.044 0.000 0.970 415 T HN 0.551 nan 8.240 nan 0.000 0.496 416 S N 2.878 118.579 115.700 0.002 0.000 2.515 416 S HA 0.019 4.489 4.470 -0.000 0.000 0.285 416 S C 1.021 175.626 174.600 0.009 0.000 1.265 416 S CA -0.674 57.519 58.200 -0.012 0.000 1.079 416 S CB 0.489 63.673 63.200 -0.027 0.000 0.877 416 S HN 0.546 nan 8.310 nan 0.000 0.493 417 D N 2.342 122.736 120.400 -0.009 0.000 2.401 417 D HA -0.144 4.496 4.640 -0.000 0.000 0.217 417 D C 0.768 177.082 176.300 0.024 0.000 0.978 417 D CA 1.330 55.332 54.000 0.002 0.000 0.951 417 D CB 0.021 40.806 40.800 -0.025 0.000 0.879 417 D HN 0.960 nan 8.370 nan 0.000 0.497 418 Q N -0.104 119.706 119.800 0.017 0.000 2.263 418 Q HA 0.252 4.592 4.340 -0.000 0.000 0.262 418 Q C -0.646 175.346 176.000 -0.013 0.000 0.984 418 Q CA -1.037 54.757 55.803 -0.017 0.000 0.813 418 Q CB 0.586 29.261 28.738 -0.105 0.000 1.299 418 Q HN 0.003 nan 8.270 nan 0.000 0.428 419 F N 2.194 122.166 119.950 0.037 0.000 2.495 419 F HA 0.518 5.045 4.527 -0.000 0.000 0.365 419 F C 0.071 175.900 175.800 0.047 0.000 1.090 419 F CA -0.713 57.337 58.000 0.084 0.000 1.235 419 F CB 0.455 39.537 39.000 0.135 0.000 1.119 419 F HN 0.721 nan 8.300 nan 0.000 0.562 420 M N 4.377 124.016 119.600 0.066 0.000 4.042 420 M HA -0.083 4.397 4.480 -0.000 0.000 0.157 420 M C 0.666 176.840 176.300 -0.209 0.000 1.531 420 M CA 1.153 56.424 55.300 -0.050 0.000 1.096 420 M CB -1.563 31.053 32.600 0.027 0.000 1.346 420 M HN 1.543 nan 8.290 nan 0.000 0.196 421 G N 0.818 109.503 108.800 -0.192 0.000 2.260 421 G HA2 0.107 4.067 3.960 -0.000 0.000 0.179 421 G HA3 0.107 4.067 3.960 -0.000 0.000 0.179 421 G C 0.166 174.873 174.900 -0.322 0.000 1.002 421 G CA -0.146 44.791 45.100 -0.271 0.000 0.677 421 G HN 1.820 nan 8.290 nan 0.000 0.486 422 A N 1.057 123.752 122.820 -0.209 0.000 2.532 422 A HA 0.387 4.707 4.320 -0.000 0.000 0.269 422 A C 1.043 178.526 177.584 -0.168 0.000 1.079 422 A CA 0.861 52.809 52.037 -0.148 0.000 0.800 422 A CB -0.295 18.645 19.000 -0.101 0.000 1.000 422 A HN 0.467 nan 8.150 nan 0.000 0.522 423 H N 1.417 120.461 119.070 -0.042 0.000 2.539 423 H HA 0.098 4.654 4.556 -0.000 0.000 0.267 423 H C 0.377 175.691 175.328 -0.023 0.000 0.982 423 H CA 1.126 57.158 56.048 -0.026 0.000 1.146 423 H CB 0.310 30.064 29.762 -0.012 0.000 1.382 423 H HN 0.769 nan 8.280 nan 0.000 0.577 424 S N -0.796 114.942 115.700 0.063 0.000 2.547 424 S HA 0.268 4.738 4.470 -0.000 0.000 0.281 424 S C 0.786 175.359 174.600 -0.045 0.000 1.118 424 S CA -0.752 57.468 58.200 0.033 0.000 0.947 424 S CB 1.663 64.920 63.200 0.094 0.000 1.053 424 S HN -0.166 nan 8.310 nan 0.000 0.482 425 I N 1.995 122.514 120.570 -0.085 0.000 2.058 425 I HA 0.040 4.210 4.170 -0.000 0.000 0.235 425 I C 1.509 177.584 176.117 -0.069 0.000 1.053 425 I CA 2.216 63.434 61.300 -0.136 0.000 1.313 425 I CB -0.616 37.302 38.000 -0.137 0.000 1.039 425 I HN 0.943 nan 8.210 nan 0.000 0.396 426 A N -0.177 122.627 122.820 -0.027 0.000 2.331 426 A HA 0.317 4.637 4.320 -0.000 0.000 0.320 426 A C 0.586 178.102 177.584 -0.113 0.000 1.138 426 A CA -0.599 51.412 52.037 -0.043 0.000 0.790 426 A CB 0.579 19.573 19.000 -0.009 0.000 1.206 426 A HN 0.298 nan 8.150 nan 0.000 0.470 427 D N 1.617 121.920 120.400 -0.161 0.000 2.178 427 D HA -0.137 4.503 4.640 -0.000 0.000 0.201 427 D C 1.745 177.686 176.300 -0.599 0.000 0.980 427 D CA 2.019 55.859 54.000 -0.267 0.000 0.842 427 D CB 0.125 40.817 40.800 -0.179 0.000 0.948 427 D HN 0.620 nan 8.370 nan 0.000 0.472 428 S N -0.201 115.263 115.700 -0.394 0.000 2.489 428 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 428 S C 0.399 174.833 174.600 -0.276 0.000 0.995 428 S CA 0.162 58.181 58.200 -0.301 0.000 0.934 428 S CB -0.155 63.076 63.200 0.052 0.000 0.771 428 S HN 0.261 nan 8.310 nan 0.000 0.522 429 H N 0.147 119.246 119.070 0.050 0.000 2.933 429 H HA -0.078 4.477 4.556 -0.000 0.000 0.301 429 H C 0.004 175.347 175.328 0.025 0.000 1.280 429 H CA 0.718 56.784 56.048 0.031 0.000 1.155 429 H CB -2.380 27.396 29.762 0.024 0.000 1.379 429 H HN 0.407 nan 8.280 nan 0.000 0.419 430 I N 0.037 120.662 120.570 0.091 0.000 3.861 430 I HA -0.015 4.155 4.170 -0.000 0.000 0.329 430 I C 1.510 177.635 176.117 0.013 0.000 1.321 430 I CA 0.799 62.115 61.300 0.026 0.000 1.126 430 I CB -0.466 37.520 38.000 -0.023 0.000 1.018 430 I HN 0.175 nan 8.210 nan 0.000 0.407 431 S N 0.476 116.204 115.700 0.046 0.000 2.906 431 S HA 0.358 4.828 4.470 -0.000 0.000 0.234 431 S C 1.301 175.923 174.600 0.036 0.000 0.973 431 S CA 0.308 58.531 58.200 0.039 0.000 1.036 431 S CB 0.020 63.255 63.200 0.058 0.000 0.798 431 S HN 0.449 nan 8.310 nan 0.000 0.498 432 A N 0.508 123.338 122.820 0.018 0.000 2.140 432 A HA 0.489 4.809 4.320 -0.000 0.000 0.199 432 A C 1.260 178.837 177.584 -0.011 0.000 1.416 432 A CA -0.129 51.914 52.037 0.009 0.000 1.018 432 A CB -0.054 18.953 19.000 0.012 0.000 1.117 432 A HN 0.474 nan 8.150 nan 0.000 0.480 433 I N 0.599 121.151 120.570 -0.030 0.000 3.684 433 I HA 0.111 4.281 4.170 -0.000 0.000 0.304 433 I C 0.836 176.918 176.117 -0.059 0.000 1.278 433 I CA 0.837 62.104 61.300 -0.056 0.000 1.272 433 I CB 0.181 38.124 38.000 -0.095 0.000 1.029 433 I HN 0.122 nan 8.210 nan 0.000 0.458 434 T N -0.504 114.027 114.554 -0.038 0.000 2.918 434 T HA 0.236 4.586 4.350 -0.000 0.000 0.286 434 T C 0.634 175.326 174.700 -0.014 0.000 1.026 434 T CA -0.558 61.526 62.100 -0.027 0.000 1.031 434 T CB 1.246 70.101 68.868 -0.022 0.000 1.046 434 T HN 0.065 nan 8.240 nan 0.000 0.479 435 D N 1.240 121.633 120.400 -0.012 0.000 2.431 435 D HA 0.132 4.772 4.640 -0.000 0.000 0.235 435 D C 0.133 176.426 176.300 -0.011 0.000 0.980 435 D CA 0.708 54.700 54.000 -0.013 0.000 0.912 435 D CB 0.485 41.277 40.800 -0.012 0.000 1.056 435 D HN 0.433 nan 8.370 nan 0.000 0.494 436 T N 1.391 115.921 114.554 -0.039 0.000 2.840 436 T HA 0.518 4.868 4.350 -0.000 0.000 0.287 436 T C -0.013 174.625 174.700 -0.102 0.000 0.991 436 T CA -0.422 61.631 62.100 -0.079 0.000 0.964 436 T CB 1.994 70.771 68.868 -0.151 0.000 0.954 436 T HN -0.116 nan 8.240 nan 0.000 0.438 437 I N 4.303 124.837 120.570 -0.059 0.000 2.362 437 I HA 0.412 4.582 4.170 -0.000 0.000 0.289 437 I C -0.600 175.502 176.117 -0.026 0.000 0.994 437 I CA -0.906 60.381 61.300 -0.023 0.000 1.158 437 I CB 1.200 39.245 38.000 0.075 0.000 1.315 437 I HN 0.348 nan 8.210 nan 0.000 0.451 438 I N 7.196 127.735 120.570 -0.052 0.000 2.377 438 I HA 0.364 4.534 4.170 -0.000 0.000 0.293 438 I C -0.572 175.531 176.117 -0.023 0.000 0.987 438 I CA -0.755 60.528 61.300 -0.029 0.000 1.185 438 I CB 1.747 39.724 38.000 -0.039 0.000 1.341 438 I HN 0.305 nan 8.210 nan 0.000 0.455 439 L N 8.079 129.304 121.223 0.003 0.000 2.343 439 L HA 0.552 4.892 4.340 -0.000 0.000 0.278 439 L C -0.978 175.909 176.870 0.029 0.000 0.996 439 L CA -0.271 54.557 54.840 -0.019 0.000 0.831 439 L CB 1.284 43.300 42.059 -0.072 0.000 1.232 439 L HN 0.359 nan 8.230 nan 0.000 0.413 440 L N 5.139 126.372 121.223 0.016 0.000 2.334 440 L HA 0.766 5.106 4.340 -0.000 0.000 0.275 440 L C -0.704 176.134 176.870 -0.055 0.000 1.036 440 L CA -0.631 54.240 54.840 0.053 0.000 0.807 440 L CB 1.761 43.858 42.059 0.064 0.000 1.231 440 L HN 0.763 nan 8.230 nan 0.000 0.438 441 Q N 0.975 120.712 119.800 -0.105 0.000 2.468 441 Q HA 0.364 4.703 4.340 -0.000 0.000 0.263 441 Q C -1.819 174.085 176.000 -0.159 0.000 0.979 441 Q CA -0.834 54.881 55.803 -0.146 0.000 0.932 441 Q CB 0.693 29.397 28.738 -0.058 0.000 1.462 441 Q HN 0.373 nan 8.270 nan 0.000 0.403 442 Y N 0.940 121.229 120.300 -0.018 0.000 2.411 442 Y HA 0.445 4.995 4.550 -0.000 0.000 0.333 442 Y C 0.066 175.918 175.900 -0.080 0.000 1.186 442 Y CA -0.378 57.695 58.100 -0.045 0.000 1.381 442 Y CB 1.180 39.644 38.460 0.006 0.000 1.273 442 Y HN 0.442 nan 8.280 nan 0.000 0.546 443 V N 3.439 123.376 119.914 0.040 0.000 2.409 443 V HA 0.112 4.232 4.120 -0.000 0.000 0.290 443 V C -0.242 175.791 176.094 -0.102 0.000 1.017 443 V CA -1.266 60.948 62.300 -0.144 0.000 0.841 443 V CB 1.393 32.932 31.823 -0.474 0.000 1.003 443 V HN 0.728 nan 8.190 nan 0.000 0.426 444 E N 5.463 125.630 120.200 -0.057 0.000 2.292 444 E HA 0.145 4.495 4.350 -0.000 0.000 0.265 444 E C -1.088 175.505 176.600 -0.012 0.000 1.093 444 E CA -0.065 56.324 56.400 -0.019 0.000 0.922 444 E CB 0.403 30.107 29.700 0.008 0.000 1.001 444 E HN 0.427 nan 8.360 nan 0.000 0.444 445 I N 5.439 126.017 120.570 0.013 0.000 2.468 445 I HA 0.196 4.366 4.170 -0.000 0.000 0.284 445 I C -0.021 176.149 176.117 0.088 0.000 1.038 445 I CA -0.687 60.659 61.300 0.076 0.000 1.083 445 I CB 1.323 39.364 38.000 0.068 0.000 1.223 445 I HN 0.722 nan 8.210 nan 0.000 0.443 446 R N 3.888 124.452 120.500 0.107 0.000 2.939 446 R HA -0.214 4.126 4.340 -0.000 0.000 0.255 446 R C 1.083 177.410 176.300 0.047 0.000 0.882 446 R CA 0.726 56.872 56.100 0.077 0.000 0.658 446 R CB -1.534 28.818 30.300 0.087 0.000 1.447 446 R HN 1.124 nan 8.270 nan 0.000 0.506 447 G N 0.173 108.993 108.800 0.033 0.000 2.296 447 G HA2 -0.354 3.605 3.960 -0.000 0.000 0.282 447 G HA3 -0.354 3.605 3.960 -0.000 0.000 0.282 447 G C -0.086 174.818 174.900 0.006 0.000 1.014 447 G CA 1.029 46.139 45.100 0.016 0.000 0.812 447 G HN 0.620 nan 8.290 nan 0.000 0.508 448 E N -1.008 119.199 120.200 0.010 0.000 2.340 448 E HA 0.430 4.779 4.350 -0.000 0.000 0.273 448 E C -0.087 176.506 176.600 -0.013 0.000 0.891 448 E CA -1.107 55.292 56.400 -0.002 0.000 0.757 448 E CB 0.927 30.637 29.700 0.016 0.000 1.231 448 E HN 0.056 nan 8.360 nan 0.000 0.439 449 M N 2.642 122.218 119.600 -0.040 0.000 2.664 449 M HA 0.169 4.649 4.480 -0.000 0.000 0.332 449 M C -0.194 176.120 176.300 0.023 0.000 1.354 449 M CA -0.138 55.127 55.300 -0.057 0.000 1.399 449 M CB -0.481 31.998 32.600 -0.203 0.000 1.224 449 M HN 0.401 nan 8.290 nan 0.000 0.479 450 S N 2.641 118.369 115.700 0.048 0.000 2.617 450 S HA 0.794 5.264 4.470 -0.000 0.000 0.283 450 S C 0.022 174.637 174.600 0.024 0.000 1.189 450 S CA -0.926 57.300 58.200 0.042 0.000 1.036 450 S CB 2.088 65.333 63.200 0.075 0.000 1.014 450 S HN 0.571 nan 8.310 nan 0.000 0.522 451 R N 0.649 121.045 120.500 -0.174 0.000 2.531 451 R HA 0.902 5.242 4.340 -0.000 0.000 0.260 451 R C -0.246 175.857 176.300 -0.328 0.000 1.144 451 R CA -0.036 55.789 56.100 -0.457 0.000 1.171 451 R CB 0.584 30.167 30.300 -1.195 0.000 1.199 451 R HN 1.049 nan 8.270 nan 0.000 0.594 452 A N 0.153 122.813 122.820 -0.267 0.000 2.594 452 A HA 0.590 4.910 4.320 -0.000 0.000 0.296 452 A C -1.593 176.195 177.584 0.341 0.000 1.061 452 A CA -0.532 51.596 52.037 0.151 0.000 0.689 452 A CB 1.157 20.298 19.000 0.235 0.000 1.280 452 A HN 0.583 nan 8.150 nan 0.000 0.406 453 I N 1.438 122.262 120.570 0.424 0.000 2.545 453 I HA 0.628 4.798 4.170 -0.000 0.000 0.292 453 I C -1.152 175.066 176.117 0.169 0.000 1.040 453 I CA -0.631 60.844 61.300 0.291 0.000 1.068 453 I CB 2.123 40.218 38.000 0.158 0.000 1.251 453 I HN 0.787 nan 8.210 nan 0.000 0.424 454 N N 5.557 124.333 118.700 0.127 0.000 2.454 454 N HA 0.289 5.029 4.740 -0.000 0.000 0.291 454 N C -1.661 173.901 175.510 0.086 0.000 1.079 454 N CA -0.447 52.674 53.050 0.119 0.000 0.893 454 N CB 2.062 40.650 38.487 0.169 0.000 1.512 454 N HN 0.222 nan 8.380 nan 0.000 0.497 455 V N 5.542 125.466 119.914 0.016 0.000 2.381 455 V HA 0.089 4.209 4.120 -0.000 0.000 0.257 455 V C 1.036 176.996 176.094 -0.224 0.000 1.057 455 V CA 0.014 62.248 62.300 -0.110 0.000 1.013 455 V CB -0.834 30.892 31.823 -0.163 0.000 1.069 455 V HN 0.696 nan 8.190 nan 0.000 0.484 456 F N 5.027 124.825 119.950 -0.253 0.000 2.084 456 F HA 0.035 4.562 4.527 -0.000 0.000 0.296 456 F C 1.320 176.945 175.800 -0.292 0.000 1.111 456 F CA 1.419 59.301 58.000 -0.195 0.000 1.224 456 F CB 0.295 39.235 39.000 -0.100 0.000 0.991 456 F HN 0.490 nan 8.300 nan 0.000 0.471 457 K N -0.511 119.746 120.400 -0.238 0.000 2.527 457 K HA 0.518 4.838 4.320 -0.000 0.000 0.260 457 K C -1.442 175.053 176.600 -0.174 0.000 0.937 457 K CA -0.741 55.405 56.287 -0.234 0.000 0.826 457 K CB 2.066 34.538 32.500 -0.047 0.000 1.359 457 K HN 0.048 nan 8.250 nan 0.000 0.434 458 M N 3.556 123.142 119.600 -0.024 0.000 2.182 458 M HA 0.271 4.751 4.480 -0.000 0.000 0.266 458 M C 0.189 176.570 176.300 0.134 0.000 0.989 458 M CA -0.564 54.797 55.300 0.101 0.000 1.003 458 M CB 1.995 34.719 32.600 0.207 0.000 1.812 458 M HN 0.776 nan 8.290 nan 0.000 0.472 459 R N 0.983 121.516 120.500 0.055 0.000 2.091 459 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 459 R C 1.734 178.024 176.300 -0.017 0.000 1.136 459 R CA 2.078 58.179 56.100 0.002 0.000 0.959 459 R CB -0.005 30.264 30.300 -0.051 0.000 0.856 459 R HN 0.845 nan 8.270 nan 0.000 0.437 460 G N -0.757 107.997 108.800 -0.076 0.000 2.762 460 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.209 460 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.209 460 G C 0.459 175.532 174.900 0.289 0.000 1.134 460 G CA -0.105 44.937 45.100 -0.097 0.000 0.781 460 G HN 0.238 nan 8.290 nan 0.000 0.528 461 S N -1.442 114.549 115.700 0.485 0.000 2.718 461 S HA 0.394 4.864 4.470 -0.000 0.000 0.292 461 S C 0.587 175.385 174.600 0.331 0.000 1.125 461 S CA -0.260 58.221 58.200 0.469 0.000 1.013 461 S CB 0.946 64.427 63.200 0.469 0.000 1.192 461 S HN 0.382 nan 8.310 nan 0.000 0.535 462 W N 1.562 122.931 121.300 0.115 0.000 2.683 462 W HA 0.193 4.853 4.660 -0.000 0.000 0.267 462 W C 0.346 176.760 176.519 -0.174 0.000 1.243 462 W CA 1.379 58.710 57.345 -0.023 0.000 1.380 462 W CB -0.643 28.802 29.460 -0.025 0.000 1.063 462 W HN 1.083 nan 8.180 nan 0.000 0.599 463 H N 0.811 119.555 119.070 -0.543 0.000 3.340 463 H HA -0.283 4.273 4.556 -0.000 0.000 0.248 463 H C -0.823 173.420 175.328 -1.809 0.000 0.644 463 H CA 0.403 55.870 56.048 -0.969 0.000 0.783 463 H CB -1.297 28.242 29.762 -0.371 0.000 1.270 463 H HN 0.251 nan 8.280 nan 0.000 0.308 464 D N 2.336 122.138 120.400 -0.997 0.000 2.371 464 D HA 0.087 4.727 4.640 -0.000 0.000 0.256 464 D C 0.616 176.840 176.300 -0.127 0.000 1.193 464 D CA -0.466 53.236 54.000 -0.497 0.000 0.881 464 D CB 0.726 41.510 40.800 -0.027 0.000 1.143 464 D HN 0.514 nan 8.370 nan 0.000 0.473 465 K N 2.409 122.725 120.400 -0.140 0.000 2.525 465 K HA 0.157 4.477 4.320 -0.000 0.000 0.192 465 K C 0.343 176.971 176.600 0.046 0.000 1.029 465 K CA -0.106 56.168 56.287 -0.021 0.000 1.029 465 K CB -0.294 32.173 32.500 -0.055 0.000 0.814 465 K HN 0.380 nan 8.250 nan 0.000 0.503 466 A N 1.386 124.243 122.820 0.061 0.000 2.340 466 A HA 0.446 4.766 4.320 -0.000 0.000 0.268 466 A C 0.039 177.685 177.584 0.104 0.000 1.100 466 A CA -0.497 51.591 52.037 0.084 0.000 0.803 466 A CB 0.150 19.198 19.000 0.080 0.000 1.043 466 A HN 0.242 nan 8.150 nan 0.000 0.488 467 I N 3.186 123.836 120.570 0.132 0.000 2.313 467 I HA 0.191 4.361 4.170 -0.000 0.000 0.286 467 I C 0.505 176.734 176.117 0.186 0.000 1.091 467 I CA -0.021 61.385 61.300 0.177 0.000 1.216 467 I CB 0.188 38.309 38.000 0.203 0.000 1.434 467 I HN 0.660 nan 8.210 nan 0.000 0.487 468 R N 4.361 124.945 120.500 0.140 0.000 2.528 468 R HA 0.345 4.685 4.340 -0.000 0.000 0.271 468 R C 0.101 176.468 176.300 0.112 0.000 1.056 468 R CA -0.618 55.518 56.100 0.060 0.000 1.117 468 R CB 1.267 31.607 30.300 0.066 0.000 1.085 468 R HN 0.574 nan 8.270 nan 0.000 0.530 469 E N 1.699 121.835 120.200 -0.105 0.000 2.232 469 E HA 0.453 4.803 4.350 -0.000 0.000 0.265 469 E C -1.215 175.462 176.600 0.128 0.000 1.001 469 E CA -0.766 55.607 56.400 -0.046 0.000 0.870 469 E CB 1.041 30.493 29.700 -0.413 0.000 1.175 469 E HN 0.437 nan 8.360 nan 0.000 0.407 470 F N 0.002 119.955 119.950 0.005 0.000 2.672 470 F HA 0.403 4.930 4.527 -0.000 0.000 0.311 470 F C -1.387 174.422 175.800 0.015 0.000 1.113 470 F CA -1.240 56.756 58.000 -0.007 0.000 0.996 470 F CB 0.637 39.629 39.000 -0.014 0.000 1.286 470 F HN 0.572 nan 8.300 nan 0.000 0.441 471 M N 2.874 122.612 119.600 0.230 0.000 2.649 471 M HA 0.817 5.297 4.480 -0.000 0.000 0.294 471 M C -1.461 174.987 176.300 0.246 0.000 1.206 471 M CA -0.591 54.794 55.300 0.142 0.000 0.928 471 M CB 1.960 34.616 32.600 0.092 0.000 1.571 471 M HN 0.575 nan 8.290 nan 0.000 0.501 472 I N 1.463 122.136 120.570 0.173 0.000 2.512 472 I HA 0.465 4.635 4.170 -0.000 0.000 0.287 472 I C -0.594 175.621 176.117 0.163 0.000 1.069 472 I CA -0.326 61.080 61.300 0.177 0.000 1.056 472 I CB 2.156 40.281 38.000 0.209 0.000 1.229 472 I HN 1.101 nan 8.210 nan 0.000 0.429 473 S N 2.812 118.604 115.700 0.152 0.000 2.894 473 S HA 0.429 4.899 4.470 -0.000 0.000 0.298 473 S C 0.428 175.143 174.600 0.193 0.000 1.054 473 S CA -0.673 57.612 58.200 0.141 0.000 0.903 473 S CB 1.357 64.609 63.200 0.086 0.000 1.356 473 S HN 0.553 nan 8.310 nan 0.000 0.626 474 D N 0.769 121.240 120.400 0.119 0.000 2.194 474 D HA 0.013 4.653 4.640 -0.000 0.000 0.204 474 D C 1.417 177.780 176.300 0.105 0.000 0.964 474 D CA 0.839 54.898 54.000 0.099 0.000 0.846 474 D CB -0.099 40.713 40.800 0.021 0.000 0.962 474 D HN 0.490 nan 8.370 nan 0.000 0.490 475 K N 0.610 121.054 120.400 0.074 0.000 2.365 475 K HA 0.143 4.462 4.320 -0.000 0.000 0.199 475 K C 1.315 177.939 176.600 0.040 0.000 1.045 475 K CA 0.519 56.831 56.287 0.042 0.000 0.962 475 K CB 0.511 33.024 32.500 0.022 0.000 0.759 475 K HN 0.154 nan 8.250 nan 0.000 0.469 476 G N 1.371 110.207 108.800 0.060 0.000 2.358 476 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.198 476 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.198 476 G C -3.035 171.823 174.900 -0.070 0.000 1.220 476 G CA -0.796 44.270 45.100 -0.058 0.000 1.187 476 G HN -0.021 nan 8.290 nan 0.000 0.544 477 P HA 0.423 nan 4.420 nan 0.000 0.300 477 P C -1.635 175.626 177.300 -0.065 0.000 1.375 477 P CA -0.004 63.034 63.100 -0.104 0.000 0.864 477 P CB 1.579 33.092 31.700 -0.312 0.000 0.958 478 D N 4.218 124.641 120.400 0.037 0.000 2.479 478 D HA 0.207 4.847 4.640 -0.000 0.000 0.218 478 D C 0.119 176.463 176.300 0.073 0.000 1.131 478 D CA -0.461 53.560 54.000 0.036 0.000 0.916 478 D CB -0.260 40.569 40.800 0.048 0.000 1.022 478 D HN 0.240 nan 8.370 nan 0.000 0.515 479 I N 4.036 124.614 120.570 0.013 0.000 2.587 479 I HA 0.017 4.187 4.170 -0.000 0.000 0.284 479 I C 1.285 177.427 176.117 0.041 0.000 1.134 479 I CA 0.166 61.493 61.300 0.045 0.000 1.410 479 I CB 0.577 38.561 38.000 -0.026 0.000 1.392 479 I HN 0.340 nan 8.210 nan 0.000 0.545 480 K N 4.481 124.911 120.400 0.050 0.000 3.336 480 K HA 0.329 4.649 4.320 -0.000 0.000 0.252 480 K C -0.135 176.435 176.600 -0.049 0.000 1.031 480 K CA -0.713 55.567 56.287 -0.012 0.000 1.690 480 K CB 0.312 32.788 32.500 -0.040 0.000 2.591 480 K HN 0.466 nan 8.250 nan 0.000 0.798 481 D N 0.245 120.569 120.400 -0.125 0.000 2.564 481 D HA 0.185 4.825 4.640 -0.000 0.000 0.273 481 D C -0.403 175.736 176.300 -0.268 0.000 1.192 481 D CA -0.135 53.777 54.000 -0.148 0.000 1.080 481 D CB 1.289 42.010 40.800 -0.132 0.000 1.160 481 D HN 0.414 nan 8.370 nan 0.000 0.607 482 S N -0.681 114.899 115.700 -0.201 0.000 2.654 482 S HA 0.484 4.953 4.470 -0.000 0.000 0.283 482 S C -0.367 174.071 174.600 -0.269 0.000 1.180 482 S CA -0.738 57.355 58.200 -0.178 0.000 1.021 482 S CB 0.500 63.707 63.200 0.011 0.000 1.018 482 S HN 0.246 nan 8.310 nan 0.000 0.532 483 F N 1.289 121.205 119.950 -0.057 0.000 2.499 483 F HA 0.469 4.996 4.527 -0.000 0.000 0.353 483 F C 1.720 177.562 175.800 0.070 0.000 1.196 483 F CA -0.869 57.056 58.000 -0.124 0.000 1.244 483 F CB 0.048 38.765 39.000 -0.471 0.000 1.577 483 F HN 0.691 nan 8.300 nan 0.000 0.614 484 R N 2.044 122.681 120.500 0.228 0.000 2.189 484 R HA -0.086 4.254 4.340 -0.000 0.000 0.223 484 R C 0.819 177.274 176.300 0.259 0.000 1.092 484 R CA 1.174 57.400 56.100 0.209 0.000 0.989 484 R CB 0.005 30.383 30.300 0.130 0.000 0.876 484 R HN 0.541 nan 8.270 nan 0.000 0.457 485 N N -0.325 118.610 118.700 0.391 0.000 2.453 485 N HA 0.047 4.787 4.740 -0.000 0.000 0.270 485 N C -1.075 174.574 175.510 0.232 0.000 1.195 485 N CA -0.044 53.170 53.050 0.273 0.000 0.902 485 N CB 0.105 38.694 38.487 0.170 0.000 1.186 485 N HN -0.052 nan 8.380 nan 0.000 0.510 486 F N 0.427 120.434 119.950 0.095 0.000 2.664 486 F HA 0.538 5.065 4.527 -0.000 0.000 0.329 486 F C 0.270 176.099 175.800 0.048 0.000 1.090 486 F CA -0.979 57.062 58.000 0.067 0.000 0.978 486 F CB 1.594 40.633 39.000 0.065 0.000 1.378 486 F HN -0.139 nan 8.300 nan 0.000 0.495 487 E N -0.160 120.170 120.200 0.216 0.000 2.340 487 E HA 0.493 4.843 4.350 -0.000 0.000 0.273 487 E C -1.204 175.459 176.600 0.105 0.000 0.891 487 E CA -1.039 55.436 56.400 0.124 0.000 0.757 487 E CB 2.253 31.993 29.700 0.066 0.000 1.231 487 E HN 0.478 nan 8.360 nan 0.000 0.439 488 R N 1.674 122.218 120.500 0.074 0.000 3.079 488 R HA -0.207 4.133 4.340 -0.000 0.000 0.254 488 R C 0.382 176.697 176.300 0.024 0.000 0.900 488 R CA 0.112 56.239 56.100 0.046 0.000 0.641 488 R CB -1.807 28.514 30.300 0.035 0.000 1.307 488 R HN 0.629 nan 8.270 nan 0.000 0.477 489 I N 0.407 120.983 120.570 0.010 0.000 2.494 489 I HA -0.141 4.028 4.170 -0.000 0.000 0.250 489 I C 2.175 178.250 176.117 -0.070 0.000 1.112 489 I CA 0.418 61.673 61.300 -0.074 0.000 1.438 489 I CB 0.022 37.965 38.000 -0.095 0.000 1.111 489 I HN 0.343 nan 8.210 nan 0.000 0.431 490 I N 0.975 121.533 120.570 -0.020 0.000 2.657 490 I HA -0.250 3.920 4.170 -0.000 0.000 0.261 490 I C 2.640 178.716 176.117 -0.068 0.000 1.212 490 I CA 1.586 62.871 61.300 -0.024 0.000 1.453 490 I CB -1.478 36.532 38.000 0.016 0.000 1.092 490 I HN 0.340 nan 8.210 nan 0.000 0.452 491 S N 0.133 115.795 115.700 -0.064 0.000 2.414 491 S HA 0.090 4.559 4.470 -0.000 0.000 0.227 491 S C 1.865 176.419 174.600 -0.078 0.000 1.022 491 S CA 0.918 59.066 58.200 -0.087 0.000 0.958 491 S CB 0.091 63.259 63.200 -0.053 0.000 0.797 491 S HN 0.526 nan 8.310 nan 0.000 0.493 492 G N -0.110 108.653 108.800 -0.061 0.000 2.238 492 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 492 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 492 G C 0.256 175.140 174.900 -0.027 0.000 0.996 492 G CA 0.046 45.126 45.100 -0.033 0.000 0.632 492 G HN 0.699 nan 8.290 nan 0.000 0.503 493 S N 2.566 118.250 115.700 -0.026 0.000 2.158 493 S HA 0.559 5.029 4.470 -0.000 0.000 0.160 493 S C -2.103 172.505 174.600 0.014 0.000 1.693 493 S CA -0.651 57.548 58.200 -0.003 0.000 1.251 493 S CB 2.114 65.317 63.200 0.005 0.000 1.153 493 S HN 0.290 nan 8.310 nan 0.000 0.439 494 P HA 0.162 nan 4.420 nan 0.000 0.278 494 P C -0.370 177.012 177.300 0.136 0.000 1.270 494 P CA -0.049 63.116 63.100 0.109 0.000 0.800 494 P CB 0.443 32.258 31.700 0.193 0.000 1.142 495 T N 0.350 114.992 114.554 0.147 0.000 3.038 495 T HA 0.254 4.604 4.350 -0.000 0.000 0.344 495 T C -0.552 174.052 174.700 -0.160 0.000 1.054 495 T CA -0.675 61.434 62.100 0.014 0.000 1.092 495 T CB 0.134 69.004 68.868 0.004 0.000 1.031 495 T HN 0.223 nan 8.240 nan 0.000 0.482 496 R N 2.534 122.810 120.500 -0.373 0.000 2.538 496 R HA 0.252 4.592 4.340 -0.000 0.000 0.282 496 R C 0.239 176.293 176.300 -0.410 0.000 1.009 496 R CA -0.018 55.589 56.100 -0.820 0.000 1.063 496 R CB -0.211 29.746 30.300 -0.572 0.000 0.945 496 R HN 0.558 nan 8.270 nan 0.000 0.414 497 I N -1.525 118.821 120.570 -0.374 0.000 2.891 497 I HA 0.079 4.248 4.170 -0.000 0.000 0.327 497 I C 1.062 177.111 176.117 -0.114 0.000 1.479 497 I CA -0.570 60.626 61.300 -0.174 0.000 0.856 497 I CB 0.183 38.122 38.000 -0.102 0.000 1.750 497 I HN 0.657 nan 8.210 nan 0.000 0.575 498 T N -1.382 113.100 114.554 -0.121 0.000 2.614 498 T HA -0.086 4.264 4.350 -0.000 0.000 0.263 498 T C 1.160 175.838 174.700 -0.037 0.000 1.055 498 T CA 1.238 63.304 62.100 -0.056 0.000 1.162 498 T CB -0.930 67.914 68.868 -0.040 0.000 0.863 498 T HN 0.407 nan 8.240 nan 0.000 0.414 499 V N 3.177 123.067 119.914 -0.041 0.000 5.720 499 V HA -0.116 4.004 4.120 -0.000 0.000 0.167 499 V C 0.088 176.174 176.094 -0.015 0.000 0.719 499 V CA 1.381 63.665 62.300 -0.027 0.000 0.518 499 V CB -2.406 29.399 31.823 -0.030 0.000 0.203 499 V HN 1.040 nan 8.190 nan 0.000 0.402 500 D N 0.168 120.562 120.400 -0.009 0.000 4.288 500 D HA -0.108 4.532 4.640 -0.000 0.000 0.248 500 D C 0.594 176.895 176.300 0.002 0.000 1.054 500 D CA 1.182 55.181 54.000 -0.002 0.000 1.179 500 D CB -0.146 40.653 40.800 -0.001 0.000 0.859 500 D HN 0.827 nan 8.370 nan 0.000 0.402 501 E N 0.750 120.954 120.200 0.005 0.000 4.521 501 E HA 0.063 4.413 4.350 -0.000 0.000 0.562 501 E C 0.539 177.148 176.600 0.015 0.000 1.127 501 E CA -0.209 56.199 56.400 0.012 0.000 3.733 501 E CB 0.235 29.945 29.700 0.018 0.000 1.950 501 E HN -0.049 nan 8.360 nan 0.000 0.434 502 K N 0.778 121.190 120.400 0.020 0.000 2.307 502 K HA 0.093 4.413 4.320 -0.000 0.000 0.240 502 K C -0.656 175.953 176.600 0.016 0.000 1.214 502 K CA 0.124 56.423 56.287 0.020 0.000 1.149 502 K CB -0.506 32.009 32.500 0.024 0.000 1.668 502 K HN 0.411 nan 8.250 nan 0.000 0.314 503 S N 0.135 115.843 115.700 0.013 0.000 2.760 503 S HA 0.142 4.612 4.470 -0.000 0.000 0.263 503 S C -0.613 173.993 174.600 0.009 0.000 1.007 503 S CA -0.636 57.571 58.200 0.011 0.000 1.358 503 S CB -0.400 62.807 63.200 0.011 0.000 1.228 503 S HN 0.476 nan 8.310 nan 0.000 0.684 504 E N 0.010 120.216 120.200 0.009 0.000 8.959 504 E HA -0.187 4.162 4.350 -0.000 0.000 0.467 504 E C -0.033 176.570 176.600 0.006 0.000 1.281 504 E CA 0.538 56.942 56.400 0.008 0.000 2.226 504 E CB -0.625 29.080 29.700 0.008 0.000 1.018 504 E HN 0.312 nan 8.360 nan 0.000 0.296 505 L N 1.962 123.188 121.223 0.005 0.000 2.450 505 L HA -0.063 4.277 4.340 -0.000 0.000 0.224 505 L C 1.488 178.360 176.870 0.004 0.000 1.149 505 L CA 2.352 57.195 54.840 0.004 0.000 0.816 505 L CB -0.451 41.610 42.059 0.003 0.000 0.932 505 L HN 0.495 nan 8.230 nan 0.000 0.449 506 S N -0.712 114.991 115.700 0.005 0.000 3.811 506 S HA 0.135 4.605 4.470 -0.000 0.000 0.205 506 S C 1.308 175.911 174.600 0.005 0.000 1.445 506 S CA -0.139 58.064 58.200 0.005 0.000 1.097 506 S CB -0.528 62.675 63.200 0.005 0.000 1.350 506 S HN 0.650 nan 8.310 nan 0.000 0.471 507 R N 1.085 121.589 120.500 0.005 0.000 2.276 507 R HA 0.244 4.583 4.340 -0.000 0.000 0.196 507 R C 1.328 177.631 176.300 0.005 0.000 0.961 507 R CA 0.583 56.687 56.100 0.005 0.000 1.024 507 R CB -0.419 29.884 30.300 0.005 0.000 0.940 507 R HN 0.590 nan 8.270 nan 0.000 0.480 508 I N -0.923 119.649 120.570 0.004 0.000 3.914 508 I HA 0.247 4.417 4.170 -0.000 0.000 0.333 508 I C 0.164 176.283 176.117 0.004 0.000 1.449 508 I CA -0.865 60.438 61.300 0.004 0.000 1.135 508 I CB -0.236 37.767 38.000 0.003 0.000 1.073 508 I HN -0.081 nan 8.210 nan 0.000 0.401 509 V N 3.006 122.923 119.914 0.004 0.000 5.114 509 V HA -0.385 3.735 4.120 -0.000 0.000 0.239 509 V C 1.650 177.746 176.094 0.004 0.000 0.680 509 V CA 1.167 63.470 62.300 0.004 0.000 0.660 509 V CB -1.976 29.849 31.823 0.004 0.000 0.454 509 V HN 0.740 nan 8.190 nan 0.000 0.752 510 R N -0.917 119.586 120.500 0.004 0.000 1.266 510 R HA -0.368 3.972 4.340 -0.000 0.000 0.032 510 R C 1.653 177.955 176.300 0.003 0.000 0.958 510 R CA 2.947 59.049 56.100 0.003 0.000 1.756 510 R CB -1.858 28.444 30.300 0.003 0.000 0.325 510 R HN 2.034 nan 8.270 nan 0.000 0.654 511 G N -1.636 107.166 108.800 0.003 0.000 2.273 511 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.162 511 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.162 511 G C 0.605 175.507 174.900 0.003 0.000 1.006 511 G CA 0.888 45.990 45.100 0.003 0.000 0.704 511 G HN 0.865 nan 8.290 nan 0.000 0.487 512 V N -1.242 118.674 119.914 0.003 0.000 2.568 512 V HA 0.047 4.167 4.120 -0.000 0.000 0.253 512 V C 1.403 177.499 176.094 0.003 0.000 1.072 512 V CA 2.405 64.707 62.300 0.003 0.000 1.084 512 V CB -0.262 31.563 31.823 0.003 0.000 0.676 512 V HN 0.439 nan 8.190 nan 0.000 0.469 513 Q N 1.193 120.995 119.800 0.003 0.000 3.027 513 Q HA 0.228 4.568 4.340 -0.000 0.000 0.260 513 Q C 0.457 176.459 176.000 0.003 0.000 1.379 513 Q CA 0.412 56.217 55.803 0.003 0.000 1.038 513 Q CB 0.153 28.893 28.738 0.003 0.000 1.578 513 Q HN 0.668 nan 8.270 nan 0.000 0.571 514 E N 1.160 121.362 120.200 0.002 0.000 2.715 514 E HA 0.238 4.588 4.350 -0.000 0.000 0.224 514 E C -1.026 175.576 176.600 0.002 0.000 0.962 514 E CA 0.046 56.447 56.400 0.002 0.000 1.145 514 E CB 0.543 30.244 29.700 0.002 0.000 1.083 514 E HN 0.183 nan 8.360 nan 0.000 0.506 515 K N -1.157 119.244 120.400 0.002 0.000 2.613 515 K HA 0.740 5.059 4.320 -0.000 0.000 0.248 515 K C 0.170 176.771 176.600 0.002 0.000 0.959 515 K CA 0.019 56.307 56.287 0.002 0.000 0.855 515 K CB 1.677 34.178 32.500 0.002 0.000 1.143 515 K HN 0.045 nan 8.250 nan 0.000 0.437 516 G N 2.804 111.605 108.800 0.002 0.000 4.316 516 G HA2 0.039 3.999 3.960 -0.000 0.000 0.196 516 G HA3 0.039 3.999 3.960 -0.000 0.000 0.196 516 G C -2.223 172.678 174.900 0.002 0.000 1.059 516 G CA -0.318 44.783 45.100 0.002 0.000 0.917 516 G HN 0.456 nan 8.290 nan 0.000 0.309 517 P HA 0.620 nan 4.420 nan 0.000 0.297 517 P C -0.739 176.562 177.300 0.002 0.000 1.319 517 P CA -0.143 62.959 63.100 0.002 0.000 0.810 517 P CB 2.093 33.794 31.700 0.002 0.000 0.947 518 E N 0.122 120.323 120.200 0.002 0.000 3.508 518 E HA 0.422 4.772 4.350 -0.000 0.000 0.199 518 E C 0.306 176.907 176.600 0.001 0.000 0.811 518 E CA -0.739 55.662 56.400 0.002 0.000 1.314 518 E CB -0.873 28.828 29.700 0.001 0.000 1.856 518 E HN 0.207 nan 8.360 nan 0.000 0.373 519 S N 0.000 115.701 115.700 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 58.201 58.200 0.001 0.000 1.107 519 S CB 0.000 63.201 63.200 0.001 0.000 0.593 519 S HN 0.000 nan 8.310 nan 0.000 0.517