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 3dhw_1_G DATA FIRST_RESID 1 DATA SEQUENCE MIKLSNITKV FHQGTRTIQA LNNVSLHVPA GQIYGVIGAS GAGKSTLIRC DATA SEQUENCE VNLLERPTEG SVLVDGQELT TLSESELTKA RRQIGMIFQH FNLLSSRTVF DATA SEQUENCE GNVALPLELD NTPKDEVKRR VTELLSLVGL GDKHDSYPSN LSGGQKQRVA DATA SEQUENCE IARALASNPK VLLCDEATSA LDPATTRSIL ELLKDINRRL GLTILLITHE DATA SEQUENCE MDVVKRICDC VAVISNGELI EQDTVSEVFS HPKTPLAQKF IQSTLHLDIP DATA SEQUENCE EDYQERLQAE PFTDCVPMLR LEFTGQSVDA PLLSETARRF NVNNNIISAQ DATA SEQUENCE MDYAGGVKFG IMLTEMHGTQ QDTQAAIAWL QEHHVKVEVL GYV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.267 176.300 -0.055 0.000 1.140 1 M CA 0.000 55.272 55.300 -0.046 0.000 0.988 1 M CB 0.000 32.547 32.600 -0.088 0.000 1.302 2 I N 2.655 123.160 120.570 -0.108 0.000 2.301 2 I HA 0.325 4.495 4.170 -0.000 0.000 0.292 2 I C -0.384 175.671 176.117 -0.102 0.000 1.046 2 I CA 0.010 61.249 61.300 -0.103 0.000 1.282 2 I CB 0.259 38.184 38.000 -0.125 0.000 1.409 2 I HN 0.439 nan 8.210 nan 0.000 0.484 3 K N 8.358 128.739 120.400 -0.032 0.000 2.413 3 K HA 0.524 4.844 4.320 -0.000 0.000 0.257 3 K C -1.827 174.763 176.600 -0.017 0.000 0.946 3 K CA -0.690 55.603 56.287 0.011 0.000 0.823 3 K CB 1.360 33.893 32.500 0.056 0.000 1.109 3 K HN 0.686 nan 8.250 nan 0.000 0.427 4 L N 2.752 123.957 121.223 -0.030 0.000 2.313 4 L HA 0.318 4.658 4.340 -0.000 0.000 0.283 4 L C -0.170 176.690 176.870 -0.017 0.000 1.013 4 L CA -0.739 54.083 54.840 -0.029 0.000 0.816 4 L CB 1.952 43.984 42.059 -0.044 0.000 1.236 4 L HN 0.575 nan 8.230 nan 0.000 0.419 5 S N 4.134 119.828 115.700 -0.010 0.000 2.474 5 S HA 0.253 4.723 4.470 -0.000 0.000 0.320 5 S C 0.186 174.783 174.600 -0.006 0.000 1.067 5 S CA -0.542 57.654 58.200 -0.007 0.000 1.127 5 S CB -0.175 63.023 63.200 -0.004 0.000 0.971 5 S HN 0.740 nan 8.310 nan 0.000 0.472 6 N N 2.986 121.682 118.700 -0.007 0.000 2.725 6 N HA -0.137 4.603 4.740 -0.000 0.000 0.251 6 N C -0.512 174.997 175.510 -0.002 0.000 1.031 6 N CA 0.562 53.610 53.050 -0.004 0.000 0.720 6 N CB -1.044 37.442 38.487 -0.001 0.000 0.930 6 N HN 0.544 nan 8.380 nan 0.000 0.543 7 I N 0.989 121.556 120.570 -0.005 0.000 2.587 7 I HA 0.036 4.206 4.170 -0.000 0.000 0.284 7 I C 0.923 177.040 176.117 0.001 0.000 1.134 7 I CA 0.871 62.169 61.300 -0.003 0.000 1.410 7 I CB 0.047 38.041 38.000 -0.009 0.000 1.392 7 I HN 0.000 nan 8.210 nan 0.000 0.545 8 T N 7.314 121.873 114.554 0.007 0.000 2.949 8 T HA 0.303 4.653 4.350 -0.000 0.000 0.300 8 T C -0.216 174.495 174.700 0.019 0.000 0.988 8 T CA -0.796 61.310 62.100 0.010 0.000 0.993 8 T CB 1.845 70.719 68.868 0.010 0.000 0.984 8 T HN 0.504 nan 8.240 nan 0.000 0.442 9 K N 2.677 123.089 120.400 0.021 0.000 2.345 9 K HA 0.732 5.052 4.320 -0.000 0.000 0.255 9 K C -1.263 175.362 176.600 0.042 0.000 0.934 9 K CA -0.765 55.547 56.287 0.041 0.000 0.801 9 K CB 1.887 34.413 32.500 0.044 0.000 1.137 9 K HN 0.411 nan 8.250 nan 0.000 0.424 10 V N 6.317 126.261 119.914 0.050 0.000 2.409 10 V HA 0.580 4.700 4.120 -0.000 0.000 0.291 10 V C -1.728 174.374 176.094 0.013 0.000 1.020 10 V CA -0.575 61.712 62.300 -0.022 0.000 0.848 10 V CB 0.781 32.572 31.823 -0.054 0.000 0.990 10 V HN 0.747 nan 8.190 nan 0.000 0.430 11 F N 5.954 125.789 119.950 -0.191 0.000 2.520 11 F HA 0.723 5.250 4.527 -0.000 0.000 0.322 11 F C -0.534 175.134 175.800 -0.220 0.000 1.103 11 F CA -0.442 57.499 58.000 -0.099 0.000 0.926 11 F CB 1.757 40.740 39.000 -0.028 0.000 1.154 11 F HN 0.682 nan 8.300 nan 0.000 0.453 12 H N 4.922 123.679 119.070 -0.522 0.000 2.504 12 H HA 0.271 4.827 4.556 -0.000 0.000 0.322 12 H C 0.648 175.767 175.328 -0.349 0.000 1.055 12 H CA -0.553 55.307 56.048 -0.313 0.000 1.231 12 H CB 1.579 31.186 29.762 -0.258 0.000 1.417 12 H HN 0.542 nan 8.280 nan 0.000 0.472 13 Q N 2.319 122.121 119.800 0.002 0.000 2.084 13 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 13 Q C 1.256 177.261 176.000 0.008 0.000 0.978 13 Q CA 1.732 57.568 55.803 0.054 0.000 0.844 13 Q CB 0.259 29.041 28.738 0.075 0.000 0.898 13 Q HN 1.025 nan 8.270 nan 0.000 0.426 14 G N -1.020 107.783 108.800 0.005 0.000 4.371 14 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.160 14 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.160 14 G C 0.804 175.703 174.900 -0.001 0.000 1.271 14 G CA 0.444 45.538 45.100 -0.011 0.000 0.982 14 G HN 0.301 nan 8.290 nan 0.000 0.318 15 T N -0.623 113.942 114.554 0.018 0.000 3.054 15 T HA 0.465 4.815 4.350 -0.000 0.000 0.255 15 T C 0.614 175.344 174.700 0.050 0.000 1.035 15 T CA -0.161 61.954 62.100 0.024 0.000 0.941 15 T CB 0.546 69.422 68.868 0.013 0.000 1.026 15 T HN 0.147 nan 8.240 nan 0.000 0.533 16 R N 1.664 122.201 120.500 0.061 0.000 2.460 16 R HA 0.629 4.969 4.340 -0.000 0.000 0.303 16 R C -0.827 175.498 176.300 0.042 0.000 0.968 16 R CA -0.340 55.790 56.100 0.051 0.000 0.889 16 R CB 1.488 31.807 30.300 0.032 0.000 1.123 16 R HN 0.150 nan 8.270 nan 0.000 0.455 17 T N 3.385 117.937 114.554 -0.004 0.000 2.792 17 T HA 0.475 4.825 4.350 -0.000 0.000 0.280 17 T C -0.345 174.287 174.700 -0.113 0.000 0.990 17 T CA -0.497 61.501 62.100 -0.169 0.000 0.960 17 T CB 1.223 70.074 68.868 -0.029 0.000 0.939 17 T HN 0.278 nan 8.240 nan 0.000 0.439 18 I N 2.727 123.210 120.570 -0.145 0.000 2.582 18 I HA 0.341 4.511 4.170 -0.000 0.000 0.292 18 I C -1.049 175.036 176.117 -0.053 0.000 1.066 18 I CA -0.959 60.306 61.300 -0.059 0.000 1.053 18 I CB 2.282 40.272 38.000 -0.017 0.000 1.241 18 I HN 0.505 nan 8.210 nan 0.000 0.421 19 Q N 6.164 125.947 119.800 -0.028 0.000 2.406 19 Q HA 0.342 4.682 4.340 -0.000 0.000 0.242 19 Q C 0.633 176.628 176.000 -0.008 0.000 1.036 19 Q CA -0.145 55.648 55.803 -0.017 0.000 0.904 19 Q CB 1.593 30.326 28.738 -0.010 0.000 1.244 19 Q HN 0.787 nan 8.270 nan 0.000 0.478 20 A N 4.045 126.863 122.820 -0.003 0.000 1.840 20 A HA 0.061 4.381 4.320 -0.000 0.000 0.214 20 A C 0.722 178.304 177.584 -0.004 0.000 1.198 20 A CA 0.907 52.943 52.037 -0.003 0.000 0.608 20 A CB 0.269 19.269 19.000 -0.001 0.000 0.839 20 A HN 0.596 nan 8.150 nan 0.000 0.443 21 L N -0.032 121.190 121.223 -0.002 0.000 2.365 21 L HA 0.387 4.727 4.340 -0.000 0.000 0.273 21 L C -1.327 175.544 176.870 0.001 0.000 1.000 21 L CA -0.467 54.371 54.840 -0.002 0.000 0.819 21 L CB 1.936 43.992 42.059 -0.005 0.000 1.284 21 L HN 0.335 nan 8.230 nan 0.000 0.418 22 N N 2.855 121.556 118.700 0.002 0.000 2.442 22 N HA 0.290 5.030 4.740 -0.000 0.000 0.274 22 N C -0.764 174.748 175.510 0.004 0.000 1.002 22 N CA -0.778 52.275 53.050 0.004 0.000 0.910 22 N CB 1.031 39.521 38.487 0.005 0.000 1.244 22 N HN 0.522 nan 8.380 nan 0.000 0.492 23 N N 0.489 119.191 118.700 0.003 0.000 2.705 23 N HA -0.148 4.591 4.740 -0.000 0.000 0.255 23 N C -1.002 174.509 175.510 0.000 0.000 1.008 23 N CA 0.694 53.745 53.050 0.002 0.000 0.742 23 N CB -0.891 37.598 38.487 0.004 0.000 0.906 23 N HN 0.416 nan 8.380 nan 0.000 0.541 24 V N -2.467 117.446 119.914 -0.003 0.000 2.417 24 V HA 0.834 4.954 4.120 -0.000 0.000 0.291 24 V C 0.401 176.488 176.094 -0.013 0.000 1.024 24 V CA -0.619 61.678 62.300 -0.006 0.000 0.861 24 V CB 2.333 34.151 31.823 -0.008 0.000 0.985 24 V HN 0.128 nan 8.190 nan 0.000 0.436 25 S N 5.280 120.972 115.700 -0.014 0.000 2.526 25 S HA 0.876 5.346 4.470 -0.000 0.000 0.293 25 S C -1.001 173.581 174.600 -0.031 0.000 1.092 25 S CA -0.544 57.644 58.200 -0.020 0.000 0.980 25 S CB 1.669 64.862 63.200 -0.011 0.000 1.048 25 S HN 1.031 nan 8.310 nan 0.000 0.483 26 L N 2.918 124.108 121.223 -0.055 0.000 2.436 26 L HA 0.578 4.918 4.340 -0.000 0.000 0.268 26 L C -1.398 175.412 176.870 -0.101 0.000 0.974 26 L CA -0.299 54.472 54.840 -0.114 0.000 0.826 26 L CB 1.784 43.721 42.059 -0.202 0.000 1.291 26 L HN 0.839 nan 8.230 nan 0.000 0.406 27 H N 3.779 122.732 119.070 -0.195 0.000 2.551 27 H HA 0.708 5.264 4.556 -0.000 0.000 0.321 27 H C -1.556 173.636 175.328 -0.227 0.000 1.028 27 H CA -0.480 55.477 56.048 -0.153 0.000 1.215 27 H CB 1.373 31.096 29.762 -0.064 0.000 1.414 27 H HN 0.385 nan 8.280 nan 0.000 0.480 28 V N 9.169 128.729 119.914 -0.590 0.000 2.334 28 V HA 0.293 4.413 4.120 -0.000 0.000 0.281 28 V C -2.008 173.849 176.094 -0.395 0.000 1.016 28 V CA -1.667 60.362 62.300 -0.451 0.000 0.832 28 V CB 1.160 32.732 31.823 -0.419 0.000 0.999 28 V HN 0.818 nan 8.190 nan 0.000 0.439 29 P HA 0.145 nan 4.420 nan 0.000 0.269 29 P C -0.146 177.107 177.300 -0.078 0.000 1.215 29 P CA -0.023 62.984 63.100 -0.154 0.000 0.780 29 P CB 0.912 32.602 31.700 -0.016 0.000 0.898 30 A N 1.765 124.552 122.820 -0.057 0.000 2.540 30 A HA 0.407 4.727 4.320 -0.000 0.000 0.239 30 A C 1.502 179.076 177.584 -0.016 0.000 1.061 30 A CA 0.682 52.698 52.037 -0.034 0.000 0.758 30 A CB -1.406 17.583 19.000 -0.019 0.000 0.991 30 A HN 0.929 nan 8.150 nan 0.000 0.502 31 G N 0.985 109.777 108.800 -0.014 0.000 2.143 31 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.249 31 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.249 31 G C 0.064 174.962 174.900 -0.003 0.000 0.981 31 G CA 0.696 45.791 45.100 -0.008 0.000 0.665 31 G HN 0.975 nan 8.290 nan 0.000 0.528 32 Q N -0.800 119.004 119.800 0.007 0.000 2.345 32 Q HA 0.709 5.049 4.340 -0.000 0.000 0.268 32 Q C -0.134 175.886 176.000 0.034 0.000 1.054 32 Q CA -0.903 54.911 55.803 0.018 0.000 0.835 32 Q CB 2.064 30.826 28.738 0.040 0.000 1.339 32 Q HN 0.362 nan 8.270 nan 0.000 0.447 33 I N 1.964 122.541 120.570 0.012 0.000 2.315 33 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 33 I C -1.068 175.068 176.117 0.031 0.000 1.006 33 I CA -0.610 60.701 61.300 0.018 0.000 1.265 33 I CB 0.519 38.510 38.000 -0.014 0.000 1.387 33 I HN 0.503 nan 8.210 nan 0.000 0.475 34 Y N 4.772 125.040 120.300 -0.054 0.000 2.377 34 Y HA 0.683 5.233 4.550 -0.000 0.000 0.339 34 Y C 0.400 176.270 175.900 -0.050 0.000 1.011 34 Y CA -0.556 57.513 58.100 -0.052 0.000 1.093 34 Y CB 1.959 40.384 38.460 -0.058 0.000 1.201 34 Y HN 0.546 nan 8.280 nan 0.000 0.455 35 G N 2.928 111.734 108.800 0.011 0.000 2.441 35 G HA2 0.618 4.578 3.960 -0.000 0.000 0.334 35 G HA3 0.618 4.578 3.960 -0.000 0.000 0.334 35 G C -1.877 173.059 174.900 0.060 0.000 1.161 35 G CA -0.701 44.413 45.100 0.023 0.000 0.935 35 G HN 0.541 nan 8.290 nan 0.000 0.488 36 V N 1.505 121.437 119.914 0.031 0.000 2.841 36 V HA 0.567 4.687 4.120 -0.000 0.000 0.310 36 V C -0.602 175.487 176.094 -0.008 0.000 1.090 36 V CA -0.735 61.578 62.300 0.022 0.000 0.930 36 V CB 1.857 33.694 31.823 0.024 0.000 1.014 36 V HN 0.789 nan 8.190 nan 0.000 0.425 37 I N 2.624 123.184 120.570 -0.017 0.000 2.498 37 I HA 0.897 5.067 4.170 -0.000 0.000 0.290 37 I C -0.129 175.959 176.117 -0.048 0.000 1.032 37 I CA -0.171 61.104 61.300 -0.042 0.000 1.073 37 I CB 1.918 39.887 38.000 -0.052 0.000 1.251 37 I HN 0.784 nan 8.210 nan 0.000 0.426 38 G N 4.785 113.543 108.800 -0.070 0.000 2.719 38 G HA2 0.521 4.481 3.960 -0.000 0.000 0.284 38 G HA3 0.521 4.481 3.960 -0.000 0.000 0.284 38 G C 0.181 175.008 174.900 -0.122 0.000 1.488 38 G CA 0.072 45.133 45.100 -0.065 0.000 1.139 38 G HN 0.911 nan 8.290 nan 0.000 0.552 39 A N 1.639 124.374 122.820 -0.142 0.000 1.902 39 A HA 0.264 4.584 4.320 -0.000 0.000 0.217 39 A C 1.426 178.970 177.584 -0.065 0.000 1.181 39 A CA 1.773 53.682 52.037 -0.213 0.000 0.623 39 A CB 0.005 18.928 19.000 -0.128 0.000 0.818 39 A HN 1.236 nan 8.150 nan 0.000 0.443 40 S N -2.126 113.580 115.700 0.010 0.000 2.386 40 S HA 0.492 4.962 4.470 -0.000 0.000 0.152 40 S C 0.403 175.027 174.600 0.039 0.000 1.511 40 S CA -0.032 58.210 58.200 0.070 0.000 1.246 40 S CB 0.436 63.668 63.200 0.053 0.000 1.338 40 S HN 1.784 nan 8.310 nan 0.000 0.409 41 G N 1.427 110.253 108.800 0.044 0.000 2.179 41 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.257 41 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.257 41 G C 0.741 175.643 174.900 0.003 0.000 1.010 41 G CA 0.021 45.131 45.100 0.016 0.000 0.736 41 G HN 1.423 nan 8.290 nan 0.000 0.513 42 A N -0.332 122.488 122.820 0.001 0.000 2.121 42 A HA 0.498 4.818 4.320 -0.000 0.000 0.204 42 A C 2.496 180.075 177.584 -0.009 0.000 1.365 42 A CA 1.700 53.733 52.037 -0.006 0.000 1.070 42 A CB -0.990 18.003 19.000 -0.012 0.000 0.756 42 A HN 2.541 nan 8.150 nan 0.000 0.521 43 G N 0.031 108.823 108.800 -0.013 0.000 2.217 43 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.246 43 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.246 43 G C 1.078 175.965 174.900 -0.022 0.000 0.990 43 G CA 0.717 45.805 45.100 -0.020 0.000 0.627 43 G HN 0.950 nan 8.290 nan 0.000 0.522 44 K N 0.692 121.082 120.400 -0.017 0.000 2.362 44 K HA 0.189 4.508 4.320 -0.000 0.000 0.200 44 K C 2.165 178.752 176.600 -0.022 0.000 1.046 44 K CA 1.609 57.886 56.287 -0.017 0.000 0.952 44 K CB -0.215 32.278 32.500 -0.011 0.000 0.753 44 K HN 0.257 nan 8.250 nan 0.000 0.466 45 S N 1.140 116.826 115.700 -0.022 0.000 2.368 45 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 45 S C 1.759 176.335 174.600 -0.040 0.000 1.030 45 S CA 1.888 60.071 58.200 -0.028 0.000 0.999 45 S CB -0.212 62.970 63.200 -0.030 0.000 0.844 45 S HN 0.725 nan 8.310 nan 0.000 0.459 46 T N -1.293 113.232 114.554 -0.049 0.000 3.084 46 T HA 0.330 4.680 4.350 -0.000 0.000 0.270 46 T C 1.293 175.965 174.700 -0.048 0.000 1.008 46 T CA -0.272 61.792 62.100 -0.059 0.000 0.900 46 T CB -0.037 68.772 68.868 -0.099 0.000 1.084 46 T HN 0.117 nan 8.240 nan 0.000 0.538 47 L N 2.480 123.679 121.223 -0.040 0.000 2.046 47 L HA 0.120 4.460 4.340 -0.000 0.000 0.208 47 L C 2.092 178.937 176.870 -0.042 0.000 1.077 47 L CA 1.754 56.571 54.840 -0.037 0.000 0.747 47 L CB -0.646 41.394 42.059 -0.032 0.000 0.896 47 L HN 0.547 nan 8.230 nan 0.000 0.432 48 I N -3.015 117.526 120.570 -0.047 0.000 2.614 48 I HA -0.143 4.027 4.170 -0.000 0.000 0.258 48 I C 2.393 178.480 176.117 -0.050 0.000 1.189 48 I CA 1.099 62.364 61.300 -0.059 0.000 1.462 48 I CB -0.603 37.349 38.000 -0.079 0.000 1.092 48 I HN 0.080 nan 8.210 nan 0.000 0.442 49 R N 0.581 121.060 120.500 -0.034 0.000 2.105 49 R HA -0.117 4.223 4.340 -0.000 0.000 0.239 49 R C 2.308 178.599 176.300 -0.014 0.000 1.135 49 R CA 1.867 57.958 56.100 -0.015 0.000 0.967 49 R CB -0.909 29.382 30.300 -0.015 0.000 0.861 49 R HN 0.489 nan 8.270 nan 0.000 0.442 50 C N 0.058 119.345 119.300 -0.022 0.000 2.411 50 C HA -0.056 4.404 4.460 -0.000 0.000 0.279 50 C C 2.686 177.666 174.990 -0.017 0.000 1.288 50 C CA 0.298 59.307 59.018 -0.015 0.000 1.764 50 C CB -0.713 27.016 27.740 -0.018 0.000 1.974 50 C HN 0.291 nan 8.230 nan 0.000 0.498 51 V N 2.565 122.462 119.914 -0.028 0.000 2.287 51 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 51 V C 1.859 177.939 176.094 -0.023 0.000 1.053 51 V CA 2.500 64.780 62.300 -0.033 0.000 1.027 51 V CB -0.798 30.994 31.823 -0.051 0.000 0.646 51 V HN 0.853 nan 8.190 nan 0.000 0.447 52 N N 0.280 118.971 118.700 -0.015 0.000 2.235 52 N HA 0.131 4.871 4.740 -0.000 0.000 0.209 52 N C 0.727 176.245 175.510 0.012 0.000 1.122 52 N CA -0.299 52.751 53.050 -0.001 0.000 0.845 52 N CB 0.515 39.004 38.487 0.003 0.000 1.004 52 N HN 0.221 nan 8.380 nan 0.000 0.499 53 L N 0.469 121.697 121.223 0.008 0.000 3.678 53 L HA -0.229 4.111 4.340 -0.000 0.000 0.425 53 L C 0.491 177.375 176.870 0.023 0.000 1.240 53 L CA 0.239 55.088 54.840 0.014 0.000 0.876 53 L CB -1.329 40.738 42.059 0.014 0.000 1.766 53 L HN 0.389 nan 8.230 nan 0.000 0.917 54 L N -1.035 120.204 121.223 0.027 0.000 2.046 54 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 54 L C 1.171 178.056 176.870 0.025 0.000 1.077 54 L CA 1.307 56.166 54.840 0.033 0.000 0.747 54 L CB -0.159 41.925 42.059 0.043 0.000 0.896 54 L HN 0.412 nan 8.230 nan 0.000 0.432 55 E N -0.143 120.065 120.200 0.013 0.000 2.199 55 E HA 0.347 4.697 4.350 -0.000 0.000 0.269 55 E C -0.924 175.699 176.600 0.037 0.000 0.899 55 E CA -0.482 55.929 56.400 0.018 0.000 0.772 55 E CB 2.265 31.935 29.700 -0.050 0.000 1.155 55 E HN 0.007 nan 8.360 nan 0.000 0.408 56 R N 3.307 123.850 120.500 0.072 0.000 2.265 56 R HA 0.360 4.700 4.340 -0.000 0.000 0.328 56 R C -2.301 174.045 176.300 0.076 0.000 0.969 56 R CA -1.599 54.539 56.100 0.063 0.000 0.832 56 R CB 1.013 31.350 30.300 0.060 0.000 1.139 56 R HN 0.210 nan 8.270 nan 0.000 0.457 57 P HA 0.167 nan 4.420 nan 0.000 0.297 57 P C -0.139 177.188 177.300 0.046 0.000 1.331 57 P CA -0.434 62.698 63.100 0.053 0.000 0.803 57 P CB 2.018 33.738 31.700 0.032 0.000 0.929 58 T N 1.452 116.038 114.554 0.053 0.000 2.746 58 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 58 T C 0.563 175.281 174.700 0.030 0.000 1.039 58 T CA 1.357 63.482 62.100 0.042 0.000 1.142 58 T CB -0.161 68.735 68.868 0.047 0.000 0.866 58 T HN 0.505 nan 8.240 nan 0.000 0.444 59 E N 0.944 121.161 120.200 0.028 0.000 2.130 59 E HA 0.478 4.828 4.350 -0.000 0.000 0.284 59 E C 0.391 177.000 176.600 0.015 0.000 1.018 59 E CA -0.328 56.083 56.400 0.020 0.000 0.817 59 E CB 0.940 30.651 29.700 0.018 0.000 1.078 59 E HN 0.452 nan 8.360 nan 0.000 0.396 60 G N 1.987 110.793 108.800 0.011 0.000 2.663 60 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.686 60 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.686 60 G C -0.735 174.169 174.900 0.008 0.000 1.288 60 G CA -0.414 44.690 45.100 0.007 0.000 0.836 60 G HN 0.485 nan 8.290 nan 0.000 0.584 61 S N -1.769 113.933 115.700 0.004 0.000 2.569 61 S HA 0.766 5.236 4.470 -0.000 0.000 0.280 61 S C -0.520 174.080 174.600 -0.001 0.000 1.111 61 S CA -0.061 58.141 58.200 0.003 0.000 0.887 61 S CB 2.000 65.202 63.200 0.004 0.000 1.095 61 S HN 1.562 nan 8.310 nan 0.000 0.476 62 V N 4.166 124.079 119.914 -0.002 0.000 2.417 62 V HA 0.561 4.681 4.120 -0.000 0.000 0.291 62 V C -0.362 175.729 176.094 -0.006 0.000 1.024 62 V CA -0.665 61.630 62.300 -0.007 0.000 0.861 62 V CB 1.298 33.115 31.823 -0.010 0.000 0.985 62 V HN 0.793 nan 8.190 nan 0.000 0.436 63 L N 6.079 127.298 121.223 -0.007 0.000 2.305 63 L HA 0.727 5.066 4.340 -0.000 0.000 0.284 63 L C -1.077 175.788 176.870 -0.010 0.000 1.013 63 L CA -0.329 54.509 54.840 -0.003 0.000 0.819 63 L CB 1.554 43.617 42.059 0.007 0.000 1.227 63 L HN 0.467 nan 8.230 nan 0.000 0.417 64 V N 4.061 123.969 119.914 -0.011 0.000 2.448 64 V HA 0.252 4.372 4.120 -0.000 0.000 0.295 64 V C 0.078 176.165 176.094 -0.012 0.000 1.025 64 V CA -0.334 61.955 62.300 -0.018 0.000 0.859 64 V CB 1.382 33.193 31.823 -0.020 0.000 0.988 64 V HN 0.941 nan 8.190 nan 0.000 0.431 65 D N 4.120 124.512 120.400 -0.014 0.000 2.723 65 D HA -0.160 4.480 4.640 -0.000 0.000 0.236 65 D C 1.152 177.452 176.300 0.001 0.000 1.138 65 D CA 1.753 55.749 54.000 -0.008 0.000 0.676 65 D CB -0.978 39.817 40.800 -0.009 0.000 1.069 65 D HN 1.542 nan 8.370 nan 0.000 0.430 66 G N -0.673 108.131 108.800 0.007 0.000 2.162 66 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.260 66 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.260 66 G C 0.105 175.009 174.900 0.007 0.000 0.976 66 G CA 0.494 45.601 45.100 0.011 0.000 0.655 66 G HN 0.578 nan 8.290 nan 0.000 0.533 67 Q N 0.181 119.983 119.800 0.004 0.000 2.316 67 Q HA 0.502 4.842 4.340 -0.000 0.000 0.264 67 Q C -0.430 175.571 176.000 0.002 0.000 0.987 67 Q CA -0.481 55.323 55.803 0.003 0.000 0.852 67 Q CB 1.575 30.314 28.738 0.001 0.000 1.287 67 Q HN 0.526 nan 8.270 nan 0.000 0.448 68 E N 2.597 122.799 120.200 0.003 0.000 2.197 68 E HA 0.354 4.704 4.350 -0.000 0.000 0.281 68 E C -0.911 175.691 176.600 0.003 0.000 0.995 68 E CA -0.335 56.067 56.400 0.003 0.000 0.808 68 E CB 1.237 30.938 29.700 0.003 0.000 1.093 68 E HN 0.341 nan 8.360 nan 0.000 0.394 69 L N 2.696 123.921 121.223 0.003 0.000 2.313 69 L HA 0.511 4.851 4.340 -0.000 0.000 0.283 69 L C -0.069 176.806 176.870 0.007 0.000 1.013 69 L CA -0.273 54.569 54.840 0.005 0.000 0.816 69 L CB 1.804 43.865 42.059 0.004 0.000 1.236 69 L HN 0.540 nan 8.230 nan 0.000 0.419 70 T N -0.459 114.101 114.554 0.009 0.000 2.792 70 T HA 0.191 4.541 4.350 -0.000 0.000 0.303 70 T C -0.550 174.157 174.700 0.013 0.000 1.310 70 T CA -0.659 61.448 62.100 0.012 0.000 1.007 70 T CB 1.841 70.715 68.868 0.010 0.000 1.335 70 T HN 0.430 nan 8.240 nan 0.000 0.504 71 T N 2.748 117.312 114.554 0.015 0.000 2.666 71 T HA 0.115 4.465 4.350 -0.000 0.000 0.265 71 T C 0.922 175.630 174.700 0.012 0.000 1.009 71 T CA 0.578 62.688 62.100 0.016 0.000 1.238 71 T CB -0.452 68.426 68.868 0.016 0.000 0.969 71 T HN 0.294 nan 8.240 nan 0.000 0.515 72 L N 2.324 123.554 121.223 0.012 0.000 3.277 72 L HA 0.410 4.749 4.340 -0.000 0.000 0.178 72 L C 0.955 177.831 176.870 0.009 0.000 1.384 72 L CA -0.317 54.529 54.840 0.009 0.000 1.254 72 L CB -0.107 41.958 42.059 0.009 0.000 1.593 72 L HN 0.683 nan 8.230 nan 0.000 0.748 73 S N -2.246 113.459 115.700 0.009 0.000 2.567 73 S HA 0.274 4.744 4.470 -0.000 0.000 0.270 73 S C 0.028 174.633 174.600 0.009 0.000 1.152 73 S CA -0.801 57.404 58.200 0.009 0.000 0.835 73 S CB 1.742 64.946 63.200 0.007 0.000 1.115 73 S HN 0.144 nan 8.310 nan 0.000 0.459 74 E N 1.612 121.818 120.200 0.009 0.000 2.051 74 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 74 E C 1.850 178.456 176.600 0.009 0.000 0.991 74 E CA 1.825 58.231 56.400 0.010 0.000 0.799 74 E CB -0.490 29.215 29.700 0.009 0.000 0.748 74 E HN 0.636 nan 8.360 nan 0.000 0.449 75 S N 1.025 116.730 115.700 0.008 0.000 2.371 75 S HA -0.086 4.384 4.470 -0.000 0.000 0.224 75 S C 1.747 176.350 174.600 0.007 0.000 1.029 75 S CA 0.717 58.922 58.200 0.007 0.000 0.978 75 S CB -0.021 63.182 63.200 0.006 0.000 0.833 75 S HN 0.202 nan 8.310 nan 0.000 0.466 76 E N 1.230 121.434 120.200 0.006 0.000 2.106 76 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 76 E C 2.104 178.708 176.600 0.006 0.000 0.984 76 E CA 0.511 56.915 56.400 0.006 0.000 0.806 76 E CB -0.535 29.168 29.700 0.005 0.000 0.750 76 E HN 0.330 nan 8.360 nan 0.000 0.458 77 L N 1.324 122.552 121.223 0.008 0.000 2.046 77 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 77 L C 2.133 179.008 176.870 0.009 0.000 1.077 77 L CA 1.828 56.673 54.840 0.009 0.000 0.747 77 L CB -0.868 41.198 42.059 0.011 0.000 0.896 77 L HN 0.024 nan 8.230 nan 0.000 0.432 78 T N -0.449 114.110 114.554 0.009 0.000 2.746 78 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 78 T C 1.876 176.581 174.700 0.008 0.000 1.039 78 T CA 1.756 63.861 62.100 0.009 0.000 1.142 78 T CB -0.163 68.710 68.868 0.009 0.000 0.866 78 T HN 0.372 nan 8.240 nan 0.000 0.444 79 K N 1.062 121.466 120.400 0.006 0.000 2.097 79 K HA 0.059 4.379 4.320 -0.000 0.000 0.205 79 K C 2.691 179.293 176.600 0.004 0.000 1.050 79 K CA 1.112 57.402 56.287 0.004 0.000 0.938 79 K CB -0.267 32.235 32.500 0.003 0.000 0.718 79 K HN 0.281 nan 8.250 nan 0.000 0.442 80 A N 1.738 124.560 122.820 0.004 0.000 1.902 80 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 80 A C 2.041 179.627 177.584 0.003 0.000 1.181 80 A CA 1.204 53.242 52.037 0.002 0.000 0.623 80 A CB -0.278 18.724 19.000 0.003 0.000 0.818 80 A HN 0.120 nan 8.150 nan 0.000 0.443 81 R N -0.296 120.208 120.500 0.007 0.000 2.096 81 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 81 R C 2.235 178.542 176.300 0.011 0.000 1.127 81 R CA 1.410 57.516 56.100 0.011 0.000 0.968 81 R CB -0.555 29.755 30.300 0.017 0.000 0.861 81 R HN 0.584 nan 8.270 nan 0.000 0.440 82 R N 0.444 120.949 120.500 0.008 0.000 2.096 82 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 82 R C 2.287 178.588 176.300 0.002 0.000 1.127 82 R CA 1.005 57.109 56.100 0.007 0.000 0.968 82 R CB -0.103 30.199 30.300 0.005 0.000 0.861 82 R HN 0.207 nan 8.270 nan 0.000 0.440 83 Q N 0.206 120.006 119.800 -0.000 0.000 2.096 83 Q HA -0.078 4.262 4.340 -0.000 0.000 0.204 83 Q C 0.884 176.879 176.000 -0.009 0.000 0.982 83 Q CA 0.864 56.664 55.803 -0.005 0.000 0.850 83 Q CB -0.008 28.727 28.738 -0.005 0.000 0.901 83 Q HN 0.245 nan 8.270 nan 0.000 0.422 84 I N 1.009 121.574 120.570 -0.008 0.000 2.355 84 I HA 0.401 4.571 4.170 -0.000 0.000 0.288 84 I C -0.239 175.871 176.117 -0.012 0.000 0.999 84 I CA -0.237 61.054 61.300 -0.016 0.000 1.163 84 I CB 0.931 38.918 38.000 -0.021 0.000 1.316 84 I HN -0.019 nan 8.210 nan 0.000 0.454 85 G N 7.112 115.900 108.800 -0.020 0.000 2.488 85 G HA2 0.630 4.590 3.960 -0.000 0.000 0.318 85 G HA3 0.630 4.590 3.960 -0.000 0.000 0.318 85 G C -1.065 173.802 174.900 -0.055 0.000 1.188 85 G CA -0.717 44.374 45.100 -0.015 0.000 0.944 85 G HN 0.615 nan 8.290 nan 0.000 0.495 86 M N 0.469 120.031 119.600 -0.063 0.000 2.446 86 M HA 0.497 4.977 4.480 -0.000 0.000 0.294 86 M C -1.760 174.360 176.300 -0.300 0.000 1.158 86 M CA -0.836 54.319 55.300 -0.240 0.000 0.899 86 M CB 2.019 34.397 32.600 -0.371 0.000 1.687 86 M HN 0.205 nan 8.290 nan 0.000 0.455 87 I N 4.363 124.695 120.570 -0.396 0.000 2.378 87 I HA 0.408 4.578 4.170 -0.000 0.000 0.291 87 I C -0.772 175.055 176.117 -0.483 0.000 0.992 87 I CA -0.302 60.843 61.300 -0.258 0.000 1.154 87 I CB 1.076 38.997 38.000 -0.131 0.000 1.315 87 I HN 0.643 nan 8.210 nan 0.000 0.448 88 F N 3.520 123.457 119.950 -0.022 0.000 2.411 88 F HA 0.298 4.825 4.527 -0.000 0.000 0.324 88 F C 1.876 177.624 175.800 -0.088 0.000 1.086 88 F CA -0.320 57.654 58.000 -0.043 0.000 1.028 88 F CB 0.690 39.676 39.000 -0.023 0.000 1.284 88 F HN 0.447 nan 8.300 nan 0.000 0.501 89 Q N -0.588 119.278 119.800 0.110 0.000 2.124 89 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 89 Q C 0.271 176.131 176.000 -0.233 0.000 0.977 89 Q CA 1.254 57.007 55.803 -0.083 0.000 0.850 89 Q CB -0.075 28.620 28.738 -0.073 0.000 0.901 89 Q HN 0.405 nan 8.270 nan 0.000 0.429 90 H N -2.013 116.972 119.070 -0.143 0.000 2.649 90 H HA 0.106 4.662 4.556 0.000 0.000 0.337 90 H C 0.840 175.973 175.328 -0.325 0.000 1.282 90 H CA -0.895 54.931 56.048 -0.370 0.000 1.333 90 H CB 0.588 30.217 29.762 -0.221 0.000 1.787 90 H HN -0.049 nan 8.280 nan 0.000 0.632 91 F N 0.433 120.515 119.950 0.220 0.000 2.161 91 F HA -0.158 4.369 4.527 0.000 0.000 0.300 91 F C 1.649 177.511 175.800 0.104 0.000 1.089 91 F CA 1.454 59.522 58.000 0.114 0.000 1.282 91 F CB -0.577 38.450 39.000 0.045 0.000 1.010 91 F HN 0.630 nan 8.300 nan 0.000 0.485 92 N N 0.477 119.299 118.700 0.203 0.000 2.738 92 N HA -0.214 4.526 4.740 -0.000 0.000 0.249 92 N C -1.061 174.504 175.510 0.092 0.000 1.047 92 N CA -0.216 52.900 53.050 0.110 0.000 0.707 92 N CB -1.074 37.477 38.487 0.108 0.000 0.937 92 N HN 0.191 nan 8.380 nan 0.000 0.545 93 L N 1.320 122.599 121.223 0.094 0.000 2.346 93 L HA 0.523 4.863 4.340 -0.000 0.000 0.274 93 L C 0.471 177.366 176.870 0.042 0.000 1.007 93 L CA -0.941 53.940 54.840 0.068 0.000 0.818 93 L CB 1.743 43.847 42.059 0.075 0.000 1.284 93 L HN 0.048 nan 8.230 nan 0.000 0.424 94 L N 1.800 123.042 121.223 0.031 0.000 2.410 94 L HA 0.064 4.404 4.340 -0.000 0.000 0.273 94 L C 1.460 178.348 176.870 0.030 0.000 1.144 94 L CA -0.067 54.786 54.840 0.022 0.000 0.863 94 L CB 1.276 43.347 42.059 0.020 0.000 1.140 94 L HN 0.851 nan 8.230 nan 0.000 0.463 95 S N -0.009 115.706 115.700 0.025 0.000 2.453 95 S HA -0.161 4.309 4.470 -0.000 0.000 0.231 95 S C 1.959 176.579 174.600 0.033 0.000 1.005 95 S CA 0.981 59.198 58.200 0.028 0.000 0.949 95 S CB 0.045 63.256 63.200 0.019 0.000 0.774 95 S HN 0.716 nan 8.310 nan 0.000 0.510 96 S N 1.467 117.184 115.700 0.029 0.000 2.368 96 S HA 0.065 4.535 4.470 -0.000 0.000 0.224 96 S C 0.957 175.580 174.600 0.039 0.000 1.029 96 S CA 0.296 58.514 58.200 0.029 0.000 0.988 96 S CB -0.271 62.942 63.200 0.022 0.000 0.838 96 S HN 0.558 nan 8.310 nan 0.000 0.462 97 R N 1.621 122.148 120.500 0.045 0.000 2.459 97 R HA 0.342 4.682 4.340 -0.000 0.000 0.281 97 R C 0.456 176.802 176.300 0.078 0.000 1.050 97 R CA -0.012 56.124 56.100 0.060 0.000 1.055 97 R CB 1.115 31.450 30.300 0.058 0.000 1.045 97 R HN 0.438 nan 8.270 nan 0.000 0.495 98 T N -2.042 112.572 114.554 0.101 0.000 2.788 98 T HA 0.074 4.424 4.350 -0.000 0.000 0.280 98 T C 1.510 176.298 174.700 0.146 0.000 0.984 98 T CA -0.914 61.263 62.100 0.128 0.000 0.972 98 T CB 0.852 69.800 68.868 0.134 0.000 1.039 98 T HN 0.199 nan 8.240 nan 0.000 0.530 99 V N 0.503 120.516 119.914 0.164 0.000 2.343 99 V HA -0.071 4.049 4.120 -0.000 0.000 0.247 99 V C 2.075 178.263 176.094 0.157 0.000 1.051 99 V CA 1.987 64.375 62.300 0.147 0.000 1.036 99 V CB -1.233 30.692 31.823 0.170 0.000 0.654 99 V HN 0.868 nan 8.190 nan 0.000 0.451 100 F N 1.768 121.750 119.950 0.053 0.000 2.134 100 F HA -0.081 4.446 4.527 0.000 0.000 0.299 100 F C 2.158 177.977 175.800 0.031 0.000 1.097 100 F CA 1.766 59.789 58.000 0.038 0.000 1.264 100 F CB -0.664 38.353 39.000 0.028 0.000 1.001 100 F HN 0.149 nan 8.300 nan 0.000 0.479 101 G N 0.051 108.989 108.800 0.230 0.000 2.402 101 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 101 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 101 G C 1.505 176.413 174.900 0.013 0.000 1.162 101 G CA 0.873 46.038 45.100 0.108 0.000 0.777 101 G HN 0.319 nan 8.290 nan 0.000 0.539 102 N N 0.496 119.215 118.700 0.032 0.000 2.084 102 N HA -0.108 4.632 4.740 -0.000 0.000 0.190 102 N C 2.316 177.819 175.510 -0.011 0.000 1.030 102 N CA 1.233 54.295 53.050 0.019 0.000 0.849 102 N CB -0.590 37.922 38.487 0.041 0.000 1.012 102 N HN 0.198 nan 8.380 nan 0.000 0.423 103 V N 1.404 121.293 119.914 -0.042 0.000 2.427 103 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 103 V C 2.390 178.428 176.094 -0.092 0.000 1.051 103 V CA 1.583 63.848 62.300 -0.058 0.000 1.048 103 V CB -0.941 30.837 31.823 -0.076 0.000 0.666 103 V HN 0.280 nan 8.190 nan 0.000 0.456 104 A N -0.153 122.570 122.820 -0.160 0.000 1.902 104 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 104 A C 2.236 179.769 177.584 -0.085 0.000 1.181 104 A CA 1.743 53.671 52.037 -0.181 0.000 0.623 104 A CB -0.539 18.267 19.000 -0.323 0.000 0.818 104 A HN 0.487 nan 8.150 nan 0.000 0.443 105 L N 0.038 121.233 121.223 -0.046 0.000 2.012 105 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 105 L C -0.081 176.784 176.870 -0.009 0.000 1.073 105 L CA 1.827 56.659 54.840 -0.014 0.000 0.748 105 L CB -1.560 40.501 42.059 0.004 0.000 0.891 105 L HN 0.317 nan 8.230 nan 0.000 0.431 106 P HA -0.236 nan 4.420 nan 0.000 0.216 106 P C 1.873 179.171 177.300 -0.004 0.000 1.157 106 P CA 1.785 64.886 63.100 0.001 0.000 0.880 106 P CB -0.029 31.674 31.700 0.004 0.000 0.791 107 L N -0.347 120.867 121.223 -0.015 0.000 2.046 107 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 107 L C 2.979 179.843 176.870 -0.010 0.000 1.077 107 L CA 1.639 56.469 54.840 -0.015 0.000 0.747 107 L CB -1.016 41.026 42.059 -0.027 0.000 0.896 107 L HN 0.047 nan 8.230 nan 0.000 0.432 108 E N 0.608 120.802 120.200 -0.011 0.000 2.077 108 E HA -0.226 4.123 4.350 -0.000 0.000 0.193 108 E C 2.352 178.954 176.600 0.003 0.000 0.989 108 E CA 1.017 57.416 56.400 -0.003 0.000 0.800 108 E CB -0.022 29.678 29.700 0.000 0.000 0.746 108 E HN 0.450 nan 8.360 nan 0.000 0.452 109 L N 0.534 121.760 121.223 0.004 0.000 2.046 109 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 109 L C 1.744 178.618 176.870 0.006 0.000 1.077 109 L CA 1.305 56.149 54.840 0.006 0.000 0.747 109 L CB -0.158 41.906 42.059 0.007 0.000 0.896 109 L HN 0.160 nan 8.230 nan 0.000 0.432 110 D N -1.872 118.531 120.400 0.005 0.000 2.626 110 D HA -0.014 4.626 4.640 -0.000 0.000 0.274 110 D C 1.779 178.081 176.300 0.004 0.000 1.045 110 D CA 0.464 54.467 54.000 0.005 0.000 0.925 110 D CB -0.128 40.676 40.800 0.006 0.000 1.260 110 D HN 0.215 nan 8.370 nan 0.000 0.490 111 N N 0.210 118.911 118.700 0.002 0.000 2.188 111 N HA -0.089 4.651 4.740 -0.000 0.000 0.184 111 N C -0.343 175.168 175.510 0.001 0.000 1.018 111 N CA 1.420 54.470 53.050 0.001 0.000 0.858 111 N CB 0.215 38.701 38.487 -0.002 0.000 0.989 111 N HN -0.107 nan 8.380 nan 0.000 0.426 112 T N 0.171 114.726 114.554 0.002 0.000 4.125 112 T HA -0.066 4.284 4.350 -0.000 0.000 0.357 112 T C -2.686 172.016 174.700 0.003 0.000 0.756 112 T CA 0.139 62.241 62.100 0.004 0.000 1.980 112 T CB -1.118 67.753 68.868 0.005 0.000 1.834 112 T HN 0.349 nan 8.240 nan 0.000 0.876 113 P HA 0.398 nan 4.420 nan 0.000 0.213 113 P C 0.800 178.102 177.300 0.004 0.000 1.861 113 P CA -0.651 62.448 63.100 -0.000 0.000 1.076 113 P CB 0.756 32.451 31.700 -0.007 0.000 1.867 114 K N 0.509 120.915 120.400 0.010 0.000 2.057 114 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 114 K C 0.754 177.368 176.600 0.023 0.000 1.049 114 K CA 1.333 57.630 56.287 0.017 0.000 0.931 114 K CB 0.054 32.564 32.500 0.016 0.000 0.714 114 K HN 0.274 nan 8.250 nan 0.000 0.440 115 D N 0.138 120.549 120.400 0.019 0.000 2.369 115 D HA 0.002 4.642 4.640 -0.000 0.000 0.211 115 D C 0.587 176.898 176.300 0.019 0.000 1.077 115 D CA 0.460 54.475 54.000 0.024 0.000 0.842 115 D CB 0.529 41.342 40.800 0.021 0.000 0.947 115 D HN 0.235 nan 8.370 nan 0.000 0.509 116 E N 0.062 120.267 120.200 0.008 0.000 2.463 116 E HA 0.043 4.393 4.350 -0.000 0.000 0.193 116 E C 1.718 178.306 176.600 -0.020 0.000 1.041 116 E CA -0.114 56.285 56.400 -0.003 0.000 0.879 116 E CB 0.921 30.618 29.700 -0.005 0.000 0.997 116 E HN -0.017 nan 8.360 nan 0.000 0.478 117 V N 1.571 121.474 119.914 -0.018 0.000 2.295 117 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 117 V C 2.123 178.154 176.094 -0.104 0.000 1.049 117 V CA 1.841 64.103 62.300 -0.063 0.000 1.024 117 V CB -0.261 31.548 31.823 -0.024 0.000 0.648 117 V HN 0.226 nan 8.190 nan 0.000 0.447 118 K N -0.408 119.979 120.400 -0.022 0.000 2.097 118 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 118 K C 2.388 178.981 176.600 -0.012 0.000 1.050 118 K CA 1.239 57.526 56.287 0.000 0.000 0.938 118 K CB -0.231 32.327 32.500 0.098 0.000 0.718 118 K HN 0.395 nan 8.250 nan 0.000 0.442 119 R N 0.620 121.116 120.500 -0.007 0.000 2.073 119 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 119 R C 2.405 178.695 176.300 -0.017 0.000 1.134 119 R CA 1.464 57.562 56.100 -0.004 0.000 0.952 119 R CB -0.191 30.108 30.300 -0.001 0.000 0.850 119 R HN 0.145 nan 8.270 nan 0.000 0.433 120 R N 0.084 120.565 120.500 -0.032 0.000 2.090 120 R HA -0.049 4.291 4.340 -0.000 0.000 0.228 120 R C 2.336 178.606 176.300 -0.049 0.000 1.110 120 R CA 1.085 57.163 56.100 -0.036 0.000 0.973 120 R CB -0.305 29.974 30.300 -0.036 0.000 0.869 120 R HN 0.059 nan 8.270 nan 0.000 0.440 121 V N 0.614 120.474 119.914 -0.089 0.000 2.295 121 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 121 V C 2.134 178.197 176.094 -0.053 0.000 1.049 121 V CA 2.261 64.490 62.300 -0.118 0.000 1.024 121 V CB -0.576 31.078 31.823 -0.282 0.000 0.648 121 V HN 0.396 nan 8.190 nan 0.000 0.447 122 T N -0.481 114.060 114.554 -0.021 0.000 2.746 122 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 122 T C 1.797 176.506 174.700 0.015 0.000 1.039 122 T CA 1.691 63.805 62.100 0.024 0.000 1.142 122 T CB -0.249 68.645 68.868 0.044 0.000 0.866 122 T HN 0.599 nan 8.240 nan 0.000 0.444 123 E N 0.700 120.902 120.200 0.003 0.000 2.077 123 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 123 E C 2.189 178.790 176.600 0.002 0.000 0.989 123 E CA 0.850 57.252 56.400 0.003 0.000 0.800 123 E CB -0.259 29.439 29.700 -0.002 0.000 0.746 123 E HN 0.413 nan 8.360 nan 0.000 0.452 124 L N 0.579 121.799 121.223 -0.006 0.000 2.093 124 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 124 L C 2.390 179.264 176.870 0.006 0.000 1.085 124 L CA 0.642 55.479 54.840 -0.005 0.000 0.755 124 L CB -0.283 41.766 42.059 -0.016 0.000 0.904 124 L HN 0.167 nan 8.230 nan 0.000 0.435 125 L N -1.053 120.177 121.223 0.012 0.000 2.042 125 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 125 L C 2.826 179.717 176.870 0.035 0.000 1.076 125 L CA 1.362 56.222 54.840 0.033 0.000 0.749 125 L CB -0.538 41.553 42.059 0.053 0.000 0.893 125 L HN 0.232 nan 8.230 nan 0.000 0.432 126 S N -0.025 115.693 115.700 0.029 0.000 2.383 126 S HA -0.171 4.299 4.470 -0.000 0.000 0.227 126 S C 1.925 176.536 174.600 0.019 0.000 1.026 126 S CA 1.109 59.325 58.200 0.027 0.000 0.981 126 S CB -0.185 63.029 63.200 0.023 0.000 0.818 126 S HN 0.283 nan 8.310 nan 0.000 0.472 127 L N 2.403 123.634 121.223 0.013 0.000 2.012 127 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 127 L C 2.425 179.300 176.870 0.008 0.000 1.073 127 L CA 2.307 57.152 54.840 0.008 0.000 0.748 127 L CB -0.822 41.240 42.059 0.004 0.000 0.891 127 L HN 0.373 nan 8.230 nan 0.000 0.431 128 V N -2.557 117.363 119.914 0.010 0.000 2.626 128 V HA 0.190 4.310 4.120 -0.000 0.000 0.252 128 V C 1.951 178.048 176.094 0.005 0.000 1.067 128 V CA 1.186 63.490 62.300 0.007 0.000 1.081 128 V CB -1.090 30.738 31.823 0.008 0.000 0.686 128 V HN 0.734 nan 8.190 nan 0.000 0.468 129 G N 0.312 109.120 108.800 0.013 0.000 2.195 129 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.246 129 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.246 129 G C 0.451 175.362 174.900 0.017 0.000 0.984 129 G CA 0.459 45.568 45.100 0.015 0.000 0.633 129 G HN 0.836 nan 8.290 nan 0.000 0.525 130 L N 1.968 123.196 121.223 0.008 0.000 2.667 130 L HA 0.646 4.986 4.340 -0.000 0.000 0.232 130 L C 1.482 178.404 176.870 0.086 0.000 1.138 130 L CA 0.870 55.704 54.840 -0.011 0.000 0.921 130 L CB -0.317 41.697 42.059 -0.074 0.000 1.180 130 L HN 0.412 nan 8.230 nan 0.000 0.487 131 G N -1.588 107.266 108.800 0.089 0.000 2.547 131 G HA2 0.381 4.341 3.960 -0.000 0.000 0.291 131 G HA3 0.381 4.341 3.960 -0.000 0.000 0.291 131 G C -0.069 174.907 174.900 0.127 0.000 1.211 131 G CA 0.353 45.517 45.100 0.107 0.000 0.950 131 G HN 0.296 nan 8.290 nan 0.000 0.504 132 D N -0.881 119.587 120.400 0.113 0.000 4.137 132 D HA -0.221 4.419 4.640 -0.000 0.000 0.214 132 D C 1.864 178.216 176.300 0.086 0.000 1.236 132 D CA 2.334 56.389 54.000 0.092 0.000 2.360 132 D CB -0.699 40.142 40.800 0.068 0.000 1.205 132 D HN 0.534 nan 8.370 nan 0.000 0.406 133 K N -0.536 119.924 120.400 0.099 0.000 2.097 133 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 133 K C 1.453 177.986 176.600 -0.112 0.000 1.049 133 K CA 1.484 57.772 56.287 0.002 0.000 0.933 133 K CB -0.253 32.221 32.500 -0.044 0.000 0.717 133 K HN 0.461 nan 8.250 nan 0.000 0.442 134 H N 0.007 119.144 119.070 0.113 0.000 2.505 134 H HA 0.101 4.657 4.556 -0.000 0.000 0.286 134 H C 0.583 176.006 175.328 0.159 0.000 1.072 134 H CA -0.168 55.977 56.048 0.162 0.000 1.141 134 H CB 0.390 30.227 29.762 0.126 0.000 1.550 134 H HN 0.134 nan 8.280 nan 0.000 0.547 135 D N 0.001 120.528 120.400 0.212 0.000 2.097 135 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 135 D C 1.949 178.347 176.300 0.164 0.000 0.989 135 D CA 1.266 55.405 54.000 0.233 0.000 0.827 135 D CB -0.012 40.942 40.800 0.256 0.000 0.966 135 D HN 0.216 nan 8.370 nan 0.000 0.456 136 S N -0.493 115.237 115.700 0.049 0.000 2.368 136 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 136 S C 0.683 175.262 174.600 -0.036 0.000 1.030 136 S CA 0.502 58.669 58.200 -0.056 0.000 0.999 136 S CB -0.330 62.773 63.200 -0.161 0.000 0.844 136 S HN 0.319 nan 8.310 nan 0.000 0.459 137 Y N 2.784 123.113 120.300 0.049 0.000 2.465 137 Y HA 0.083 4.633 4.550 -0.000 0.000 0.331 137 Y C -1.183 174.765 175.900 0.080 0.000 1.102 137 Y CA -1.733 56.406 58.100 0.065 0.000 1.358 137 Y CB 0.801 39.326 38.460 0.108 0.000 1.213 137 Y HN 0.183 nan 8.280 nan 0.000 0.525 138 P HA 0.022 nan 4.420 nan 0.000 0.193 138 P C 0.152 177.534 177.300 0.136 0.000 1.119 138 P CA 0.487 63.687 63.100 0.167 0.000 0.798 138 P CB 0.496 32.266 31.700 0.116 0.000 0.698 139 S N -0.862 114.900 115.700 0.104 0.000 2.574 139 S HA 0.134 4.604 4.470 -0.000 0.000 0.242 139 S C 1.010 175.619 174.600 0.016 0.000 0.982 139 S CA -0.059 58.170 58.200 0.049 0.000 0.977 139 S CB -1.129 62.093 63.200 0.036 0.000 0.814 139 S HN 0.200 nan 8.310 nan 0.000 0.464 140 N N 1.235 119.957 118.700 0.037 0.000 2.276 140 N HA 0.229 4.969 4.740 -0.000 0.000 0.212 140 N C -0.392 175.031 175.510 -0.146 0.000 1.127 140 N CA -0.010 53.019 53.050 -0.035 0.000 0.834 140 N CB -0.046 38.452 38.487 0.018 0.000 1.014 140 N HN 0.162 nan 8.380 nan 0.000 0.491 141 L N 0.649 121.789 121.223 -0.138 0.000 2.452 141 L HA 0.204 4.544 4.340 -0.000 0.000 0.267 141 L C 0.971 177.711 176.870 -0.216 0.000 1.188 141 L CA -0.090 54.639 54.840 -0.185 0.000 0.821 141 L CB 0.701 42.670 42.059 -0.149 0.000 1.102 141 L HN 0.155 nan 8.230 nan 0.000 0.470 142 S N 0.357 115.926 115.700 -0.218 0.000 2.600 142 S HA 0.252 4.722 4.470 -0.000 0.000 0.265 142 S C 1.296 175.719 174.600 -0.295 0.000 1.325 142 S CA -0.276 57.793 58.200 -0.219 0.000 1.002 142 S CB 0.866 63.970 63.200 -0.160 0.000 0.921 142 S HN 0.788 nan 8.310 nan 0.000 0.554 143 G N 1.097 109.701 108.800 -0.328 0.000 2.459 143 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.217 143 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.217 143 G C 1.385 176.163 174.900 -0.203 0.000 1.183 143 G CA 0.641 45.442 45.100 -0.497 0.000 0.776 143 G HN 1.011 nan 8.290 nan 0.000 0.552 144 G N 0.077 108.846 108.800 -0.052 0.000 2.418 144 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 144 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 144 G C 1.820 176.720 174.900 0.000 0.000 1.158 144 G CA 1.128 46.247 45.100 0.031 0.000 0.771 144 G HN 0.519 nan 8.290 nan 0.000 0.545 145 Q N 0.081 119.832 119.800 -0.081 0.000 2.084 145 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 145 Q C 2.609 178.565 176.000 -0.073 0.000 0.978 145 Q CA 1.278 57.019 55.803 -0.104 0.000 0.844 145 Q CB -0.139 28.483 28.738 -0.194 0.000 0.898 145 Q HN 0.438 nan 8.270 nan 0.000 0.426 146 K N 0.397 120.727 120.400 -0.115 0.000 2.057 146 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 146 K C 2.146 178.816 176.600 0.117 0.000 1.049 146 K CA 1.381 57.633 56.287 -0.059 0.000 0.931 146 K CB -0.077 32.273 32.500 -0.250 0.000 0.714 146 K HN 0.041 nan 8.250 nan 0.000 0.440 147 Q N 1.428 121.361 119.800 0.222 0.000 2.084 147 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 147 Q C 1.795 177.865 176.000 0.118 0.000 0.978 147 Q CA 1.578 57.531 55.803 0.251 0.000 0.844 147 Q CB 0.011 28.911 28.738 0.270 0.000 0.898 147 Q HN 0.181 nan 8.270 nan 0.000 0.426 148 R N -0.893 119.646 120.500 0.066 0.000 2.091 148 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 148 R C 2.242 178.561 176.300 0.032 0.000 1.136 148 R CA 1.483 57.602 56.100 0.031 0.000 0.959 148 R CB -0.458 29.840 30.300 -0.002 0.000 0.856 148 R HN 0.171 nan 8.270 nan 0.000 0.437 149 V N 1.071 121.006 119.914 0.035 0.000 2.343 149 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 149 V C 2.476 178.604 176.094 0.056 0.000 1.051 149 V CA 1.952 64.276 62.300 0.040 0.000 1.036 149 V CB -0.797 31.052 31.823 0.044 0.000 0.654 149 V HN 0.407 nan 8.190 nan 0.000 0.451 150 A N 0.258 123.127 122.820 0.083 0.000 1.902 150 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 150 A C 2.152 179.774 177.584 0.062 0.000 1.181 150 A CA 1.766 53.860 52.037 0.095 0.000 0.623 150 A CB -0.477 18.604 19.000 0.133 0.000 0.818 150 A HN 0.410 nan 8.150 nan 0.000 0.443 151 I N 0.042 120.640 120.570 0.046 0.000 2.226 151 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 151 I C 2.941 179.069 176.117 0.017 0.000 1.100 151 I CA 1.472 62.786 61.300 0.023 0.000 1.374 151 I CB -1.711 36.298 38.000 0.016 0.000 1.057 151 I HN 0.371 nan 8.210 nan 0.000 0.413 152 A N 0.839 123.670 122.820 0.019 0.000 1.858 152 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 152 A C 2.572 180.160 177.584 0.007 0.000 1.190 152 A CA 1.932 53.975 52.037 0.010 0.000 0.617 152 A CB -0.741 18.265 19.000 0.010 0.000 0.827 152 A HN 0.365 nan 8.150 nan 0.000 0.443 153 R N -0.411 120.100 120.500 0.018 0.000 2.081 153 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 153 R C 2.246 178.559 176.300 0.021 0.000 1.131 153 R CA 1.486 57.596 56.100 0.017 0.000 0.960 153 R CB -0.406 29.914 30.300 0.034 0.000 0.856 153 R HN 0.442 nan 8.270 nan 0.000 0.436 154 A N 0.787 123.625 122.820 0.029 0.000 1.930 154 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 154 A C 2.002 179.589 177.584 0.005 0.000 1.175 154 A CA 1.020 53.070 52.037 0.022 0.000 0.627 154 A CB -0.282 18.727 19.000 0.015 0.000 0.815 154 A HN 0.360 nan 8.150 nan 0.000 0.443 155 L N -0.876 120.348 121.223 0.001 0.000 2.591 155 L HA 0.083 4.423 4.340 -0.000 0.000 0.228 155 L C 2.658 179.524 176.870 -0.008 0.000 1.133 155 L CA 0.351 55.188 54.840 -0.005 0.000 0.880 155 L CB -0.344 41.712 42.059 -0.006 0.000 1.033 155 L HN 0.411 nan 8.230 nan 0.000 0.450 156 A N 0.050 122.866 122.820 -0.008 0.000 1.933 156 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 156 A C 2.523 180.099 177.584 -0.012 0.000 1.175 156 A CA 2.082 54.110 52.037 -0.015 0.000 0.628 156 A CB -0.418 18.572 19.000 -0.018 0.000 0.814 156 A HN 0.362 nan 8.150 nan 0.000 0.444 157 S N -0.316 115.380 115.700 -0.006 0.000 2.382 157 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 157 S C 0.571 175.166 174.600 -0.007 0.000 1.027 157 S CA 0.999 59.196 58.200 -0.005 0.000 0.991 157 S CB -0.455 62.744 63.200 -0.001 0.000 0.823 157 S HN 0.732 nan 8.310 nan 0.000 0.469 158 N N 0.693 119.389 118.700 -0.008 0.000 2.708 158 N HA -0.101 4.638 4.740 -0.000 0.000 0.255 158 N C -2.438 173.067 175.510 -0.008 0.000 1.046 158 N CA 0.750 53.795 53.050 -0.008 0.000 0.715 158 N CB -0.899 37.583 38.487 -0.008 0.000 0.895 158 N HN 0.411 nan 8.380 nan 0.000 0.545 159 P HA 0.178 nan 4.420 nan 0.000 0.312 159 P C 0.049 177.342 177.300 -0.012 0.000 1.308 159 P CA -0.142 62.953 63.100 -0.010 0.000 0.743 159 P CB 1.112 32.805 31.700 -0.011 0.000 1.364 160 K N -1.363 119.029 120.400 -0.013 0.000 2.350 160 K HA 0.254 4.574 4.320 -0.000 0.000 0.196 160 K C -0.091 176.496 176.600 -0.022 0.000 1.084 160 K CA 0.308 56.586 56.287 -0.015 0.000 0.967 160 K CB 0.542 33.035 32.500 -0.013 0.000 0.950 160 K HN 0.121 nan 8.250 nan 0.000 0.512 161 V N 2.360 122.260 119.914 -0.025 0.000 2.588 161 V HA 0.380 4.500 4.120 -0.000 0.000 0.304 161 V C -1.360 174.712 176.094 -0.037 0.000 1.042 161 V CA -0.964 61.316 62.300 -0.034 0.000 0.877 161 V CB 1.886 33.687 31.823 -0.038 0.000 0.996 161 V HN 0.035 nan 8.190 nan 0.000 0.425 162 L N 5.783 126.980 121.223 -0.044 0.000 2.410 162 L HA 0.685 5.025 4.340 -0.000 0.000 0.270 162 L C -1.193 175.634 176.870 -0.071 0.000 0.983 162 L CA -0.142 54.666 54.840 -0.053 0.000 0.822 162 L CB 1.902 43.934 42.059 -0.045 0.000 1.285 162 L HN 0.570 nan 8.230 nan 0.000 0.409 163 L N 4.510 125.672 121.223 -0.101 0.000 2.282 163 L HA 0.507 4.847 4.340 -0.000 0.000 0.288 163 L C -0.790 175.976 176.870 -0.174 0.000 1.033 163 L CA -0.481 54.281 54.840 -0.131 0.000 0.807 163 L CB 1.656 43.624 42.059 -0.151 0.000 1.209 163 L HN 0.607 nan 8.230 nan 0.000 0.423 164 C N 2.035 121.252 119.300 -0.138 0.000 2.303 164 C HA 0.337 4.797 4.460 -0.000 0.000 0.326 164 C C -0.040 174.860 174.990 -0.150 0.000 1.285 164 C CA -0.503 58.428 59.018 -0.144 0.000 1.675 164 C CB 0.816 28.503 27.740 -0.088 0.000 2.289 164 C HN 0.634 nan 8.230 nan 0.000 0.512 165 D N 2.889 123.174 120.400 -0.192 0.000 2.462 165 D HA 0.155 4.795 4.640 -0.000 0.000 0.249 165 D C 0.241 176.475 176.300 -0.110 0.000 1.117 165 D CA -0.062 53.847 54.000 -0.152 0.000 0.900 165 D CB 0.313 40.990 40.800 -0.205 0.000 1.039 165 D HN 0.721 nan 8.370 nan 0.000 0.516 166 E N 1.815 121.965 120.200 -0.084 0.000 2.238 166 E HA -0.289 4.061 4.350 -0.000 0.000 0.219 166 E C 0.799 177.339 176.600 -0.099 0.000 1.275 166 E CA 0.461 56.812 56.400 -0.083 0.000 0.714 166 E CB -0.793 28.852 29.700 -0.092 0.000 1.154 166 E HN 0.545 nan 8.360 nan 0.000 0.363 167 A N 0.293 123.065 122.820 -0.080 0.000 2.070 167 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 167 A C 2.217 179.769 177.584 -0.054 0.000 1.159 167 A CA 1.738 53.735 52.037 -0.066 0.000 0.656 167 A CB -0.308 18.671 19.000 -0.036 0.000 0.800 167 A HN 0.490 nan 8.150 nan 0.000 0.453 168 T N -2.957 111.570 114.554 -0.045 0.000 3.069 168 T HA 0.078 4.428 4.350 -0.000 0.000 0.252 168 T C 1.722 176.403 174.700 -0.031 0.000 1.053 168 T CA 0.912 62.999 62.100 -0.022 0.000 0.964 168 T CB -0.196 68.668 68.868 -0.006 0.000 1.005 168 T HN 0.553 nan 8.240 nan 0.000 0.532 169 S N 1.973 117.630 115.700 -0.072 0.000 2.383 169 S HA 0.121 4.591 4.470 -0.000 0.000 0.227 169 S C 2.403 176.963 174.600 -0.067 0.000 1.026 169 S CA 0.622 58.776 58.200 -0.076 0.000 0.981 169 S CB -0.823 62.304 63.200 -0.123 0.000 0.818 169 S HN 0.632 nan 8.310 nan 0.000 0.472 170 A N 1.831 124.589 122.820 -0.103 0.000 1.930 170 A HA 0.329 4.649 4.320 -0.000 0.000 0.217 170 A C 1.218 178.881 177.584 0.131 0.000 1.175 170 A CA 0.434 52.456 52.037 -0.024 0.000 0.627 170 A CB -0.725 18.159 19.000 -0.194 0.000 0.815 170 A HN 0.570 nan 8.150 nan 0.000 0.443 171 L N 1.478 122.773 121.223 0.120 0.000 2.461 171 L HA 0.100 4.440 4.340 -0.000 0.000 0.272 171 L C -0.318 176.612 176.870 0.100 0.000 1.197 171 L CA -0.711 54.233 54.840 0.172 0.000 0.836 171 L CB 0.253 42.402 42.059 0.149 0.000 1.105 171 L HN 0.339 nan 8.230 nan 0.000 0.477 172 D N 3.508 123.964 120.400 0.093 0.000 2.399 172 D HA 0.019 4.659 4.640 -0.000 0.000 0.241 172 D C -1.445 174.881 176.300 0.042 0.000 1.133 172 D CA -1.073 52.962 54.000 0.058 0.000 0.890 172 D CB 0.629 41.455 40.800 0.044 0.000 1.201 172 D HN 0.344 nan 8.370 nan 0.000 0.432 173 P HA -0.252 nan 4.420 nan 0.000 0.216 173 P C 1.124 178.439 177.300 0.024 0.000 1.157 173 P CA 1.610 64.726 63.100 0.028 0.000 0.880 173 P CB 0.145 31.861 31.700 0.027 0.000 0.791 174 A N -0.327 122.506 122.820 0.022 0.000 1.902 174 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 174 A C 2.411 180.005 177.584 0.016 0.000 1.181 174 A CA 2.590 54.637 52.037 0.016 0.000 0.623 174 A CB -1.916 17.091 19.000 0.012 0.000 0.818 174 A HN 0.222 nan 8.150 nan 0.000 0.443 175 T N -0.239 114.329 114.554 0.022 0.000 2.746 175 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 175 T C 1.988 176.706 174.700 0.030 0.000 1.039 175 T CA 1.876 63.992 62.100 0.027 0.000 1.142 175 T CB -0.536 68.357 68.868 0.042 0.000 0.866 175 T HN 0.564 nan 8.240 nan 0.000 0.444 176 T N 1.964 116.536 114.554 0.031 0.000 2.746 176 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 176 T C 2.141 176.850 174.700 0.014 0.000 1.039 176 T CA 1.003 63.117 62.100 0.024 0.000 1.142 176 T CB -0.162 68.719 68.868 0.022 0.000 0.866 176 T HN 0.392 nan 8.240 nan 0.000 0.444 177 R N 0.878 121.385 120.500 0.013 0.000 2.081 177 R HA -0.009 4.331 4.340 -0.000 0.000 0.235 177 R C 2.903 179.205 176.300 0.004 0.000 1.131 177 R CA 1.465 57.569 56.100 0.007 0.000 0.960 177 R CB -0.318 29.987 30.300 0.007 0.000 0.856 177 R HN 0.262 nan 8.270 nan 0.000 0.436 178 S N 0.774 116.478 115.700 0.006 0.000 2.355 178 S HA -0.041 4.429 4.470 -0.000 0.000 0.222 178 S C 1.954 176.556 174.600 0.005 0.000 1.031 178 S CA 0.788 58.990 58.200 0.004 0.000 0.993 178 S CB -0.058 63.145 63.200 0.005 0.000 0.859 178 S HN 0.143 nan 8.310 nan 0.000 0.453 179 I N 1.863 122.439 120.570 0.011 0.000 2.226 179 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 179 I C 2.131 178.250 176.117 0.003 0.000 1.100 179 I CA 1.218 62.525 61.300 0.012 0.000 1.374 179 I CB -1.392 36.623 38.000 0.025 0.000 1.057 179 I HN 0.274 nan 8.210 nan 0.000 0.413 180 L N 0.223 121.446 121.223 -0.000 0.000 2.046 180 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 180 L C 2.438 179.302 176.870 -0.011 0.000 1.077 180 L CA 1.314 56.149 54.840 -0.008 0.000 0.747 180 L CB -0.524 41.529 42.059 -0.010 0.000 0.896 180 L HN 0.259 nan 8.230 nan 0.000 0.432 181 E N -0.145 120.049 120.200 -0.009 0.000 2.204 181 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 181 E C 2.074 178.668 176.600 -0.009 0.000 0.989 181 E CA 0.641 57.034 56.400 -0.011 0.000 0.824 181 E CB -0.049 29.644 29.700 -0.011 0.000 0.756 181 E HN 0.252 nan 8.360 nan 0.000 0.477 182 L N 0.783 122.003 121.223 -0.006 0.000 2.042 182 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 182 L C 1.927 178.792 176.870 -0.007 0.000 1.076 182 L CA 1.478 56.315 54.840 -0.005 0.000 0.749 182 L CB -0.260 41.799 42.059 -0.001 0.000 0.893 182 L HN 0.067 nan 8.230 nan 0.000 0.432 183 L N -0.431 120.787 121.223 -0.009 0.000 2.083 183 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 183 L C 2.479 179.340 176.870 -0.014 0.000 1.083 183 L CA 1.671 56.503 54.840 -0.013 0.000 0.752 183 L CB -0.821 41.228 42.059 -0.017 0.000 0.899 183 L HN 0.228 nan 8.230 nan 0.000 0.433 184 K N -0.765 119.626 120.400 -0.015 0.000 2.097 184 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 184 K C 1.869 178.461 176.600 -0.014 0.000 1.049 184 K CA 1.389 57.666 56.287 -0.016 0.000 0.933 184 K CB -0.275 32.214 32.500 -0.018 0.000 0.717 184 K HN 0.266 nan 8.250 nan 0.000 0.442 185 D N 1.423 121.817 120.400 -0.011 0.000 2.117 185 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 185 D C 1.837 178.132 176.300 -0.008 0.000 0.987 185 D CA 1.081 55.076 54.000 -0.009 0.000 0.829 185 D CB 0.088 40.884 40.800 -0.007 0.000 0.961 185 D HN 0.338 nan 8.370 nan 0.000 0.460 186 I N -1.381 119.184 120.570 -0.009 0.000 2.617 186 I HA -0.086 4.084 4.170 -0.000 0.000 0.256 186 I C 2.046 178.156 176.117 -0.010 0.000 1.167 186 I CA 0.847 62.142 61.300 -0.009 0.000 1.469 186 I CB -0.441 37.553 38.000 -0.009 0.000 1.098 186 I HN -0.174 nan 8.210 nan 0.000 0.436 187 N N 2.077 120.770 118.700 -0.012 0.000 2.120 187 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 187 N C 2.035 177.539 175.510 -0.011 0.000 1.024 187 N CA 1.705 54.748 53.050 -0.012 0.000 0.852 187 N CB -0.198 38.280 38.487 -0.014 0.000 1.003 187 N HN 0.345 nan 8.380 nan 0.000 0.424 188 R N -0.268 120.226 120.500 -0.010 0.000 2.081 188 R HA 0.027 4.367 4.340 -0.000 0.000 0.235 188 R C 0.558 176.854 176.300 -0.007 0.000 1.131 188 R CA 0.797 56.892 56.100 -0.009 0.000 0.960 188 R CB -0.115 30.180 30.300 -0.009 0.000 0.856 188 R HN 0.226 nan 8.270 nan 0.000 0.436 189 R N 1.152 121.647 120.500 -0.007 0.000 2.582 189 R HA 0.039 4.379 4.340 -0.000 0.000 0.271 189 R C 0.863 177.159 176.300 -0.006 0.000 1.078 189 R CA -0.290 55.807 56.100 -0.006 0.000 1.127 189 R CB 0.558 30.855 30.300 -0.005 0.000 1.038 189 R HN -0.010 nan 8.270 nan 0.000 0.500 190 L N 1.665 122.885 121.223 -0.005 0.000 3.586 190 L HA -0.385 3.955 4.340 -0.000 0.000 0.053 190 L C 0.583 177.449 176.870 -0.007 0.000 4.224 190 L CA 2.842 57.678 54.840 -0.006 0.000 0.847 190 L CB -1.260 40.794 42.059 -0.007 0.000 3.419 190 L HN 1.008 nan 8.230 nan 0.000 0.712 191 G N -1.399 107.396 108.800 -0.009 0.000 2.445 191 G HA2 0.121 4.081 3.960 -0.000 0.000 0.233 191 G HA3 0.121 4.081 3.960 -0.000 0.000 0.233 191 G C -0.658 174.234 174.900 -0.014 0.000 1.308 191 G CA -0.237 44.856 45.100 -0.010 0.000 1.179 191 G HN 0.548 nan 8.290 nan 0.000 0.637 192 L N 1.889 123.103 121.223 -0.015 0.000 2.278 192 L HA 0.402 4.742 4.340 -0.000 0.000 0.287 192 L C 0.870 177.727 176.870 -0.021 0.000 1.072 192 L CA -0.359 54.469 54.840 -0.019 0.000 0.819 192 L CB 1.161 43.209 42.059 -0.020 0.000 1.176 192 L HN 0.320 nan 8.230 nan 0.000 0.435 193 T N 5.259 119.798 114.554 -0.026 0.000 2.814 193 T HA 0.396 4.746 4.350 -0.000 0.000 0.297 193 T C 0.065 174.747 174.700 -0.029 0.000 0.956 193 T CA -0.096 61.989 62.100 -0.026 0.000 1.123 193 T CB 0.199 69.044 68.868 -0.039 0.000 0.902 193 T HN 0.428 nan 8.240 nan 0.000 0.528 194 I N 1.267 121.826 120.570 -0.019 0.000 2.530 194 I HA 0.721 4.891 4.170 -0.000 0.000 0.297 194 I C -0.923 175.189 176.117 -0.007 0.000 1.011 194 I CA -1.483 59.801 61.300 -0.026 0.000 1.107 194 I CB 1.451 39.434 38.000 -0.029 0.000 1.285 194 I HN 0.320 nan 8.210 nan 0.000 0.436 195 L N 6.588 127.796 121.223 -0.026 0.000 2.272 195 L HA 0.586 4.926 4.340 -0.000 0.000 0.289 195 L C -1.169 175.689 176.870 -0.020 0.000 1.032 195 L CA -0.400 54.434 54.840 -0.009 0.000 0.810 195 L CB 1.326 43.357 42.059 -0.046 0.000 1.205 195 L HN 0.714 nan 8.230 nan 0.000 0.422 196 L N 6.342 127.568 121.223 0.005 0.000 2.313 196 L HA 0.630 4.970 4.340 -0.000 0.000 0.283 196 L C -1.091 175.772 176.870 -0.012 0.000 1.013 196 L CA -0.208 54.621 54.840 -0.017 0.000 0.816 196 L CB 1.359 43.408 42.059 -0.016 0.000 1.236 196 L HN 0.428 nan 8.230 nan 0.000 0.419 197 I N 4.018 124.571 120.570 -0.029 0.000 2.378 197 I HA 0.504 4.674 4.170 -0.000 0.000 0.291 197 I C 0.124 176.230 176.117 -0.018 0.000 0.992 197 I CA -0.261 61.025 61.300 -0.023 0.000 1.154 197 I CB 1.348 39.328 38.000 -0.034 0.000 1.315 197 I HN 0.621 nan 8.210 nan 0.000 0.448 198 T N 4.158 118.707 114.554 -0.008 0.000 2.909 198 T HA 0.283 4.633 4.350 -0.000 0.000 0.299 198 T C 0.852 175.566 174.700 0.024 0.000 1.073 198 T CA -0.360 61.744 62.100 0.008 0.000 0.999 198 T CB 1.217 70.083 68.868 -0.003 0.000 1.098 198 T HN 0.670 nan 8.240 nan 0.000 0.477 199 H N 2.308 121.354 119.070 -0.040 0.000 2.395 199 H HA 0.208 4.764 4.556 -0.000 0.000 0.299 199 H C 0.241 175.549 175.328 -0.033 0.000 1.070 199 H CA 1.128 57.154 56.048 -0.037 0.000 1.356 199 H CB 0.607 30.345 29.762 -0.041 0.000 1.401 199 H HN 0.617 nan 8.280 nan 0.000 0.524 200 E N -0.565 119.641 120.200 0.009 0.000 2.336 200 E HA 0.142 4.492 4.350 -0.000 0.000 0.267 200 E C 0.853 177.436 176.600 -0.029 0.000 0.906 200 E CA -0.927 55.453 56.400 -0.033 0.000 0.781 200 E CB 2.063 31.771 29.700 0.013 0.000 1.261 200 E HN 0.033 nan 8.360 nan 0.000 0.436 201 M N 0.877 120.454 119.600 -0.038 0.000 2.159 201 M HA -0.138 4.341 4.480 -0.000 0.000 0.263 201 M C 0.943 177.229 176.300 -0.024 0.000 1.063 201 M CA 1.554 56.838 55.300 -0.027 0.000 1.110 201 M CB -0.797 31.798 32.600 -0.008 0.000 1.374 201 M HN 0.529 nan 8.290 nan 0.000 0.411 202 D N 0.256 120.646 120.400 -0.017 0.000 2.190 202 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 202 D C 2.174 178.461 176.300 -0.021 0.000 0.992 202 D CA 1.014 55.006 54.000 -0.012 0.000 0.854 202 D CB -0.253 40.548 40.800 0.002 0.000 0.936 202 D HN 0.179 nan 8.370 nan 0.000 0.462 203 V N 0.389 120.292 119.914 -0.019 0.000 2.343 203 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 203 V C 2.629 178.701 176.094 -0.037 0.000 1.051 203 V CA 0.964 63.251 62.300 -0.022 0.000 1.036 203 V CB -0.388 31.425 31.823 -0.016 0.000 0.654 203 V HN 0.081 nan 8.190 nan 0.000 0.451 204 V N -0.250 119.637 119.914 -0.044 0.000 2.343 204 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 204 V C 2.429 178.473 176.094 -0.085 0.000 1.051 204 V CA 1.970 64.232 62.300 -0.063 0.000 1.036 204 V CB -0.689 31.096 31.823 -0.065 0.000 0.654 204 V HN 0.548 nan 8.190 nan 0.000 0.451 205 K N -0.229 120.118 120.400 -0.088 0.000 2.097 205 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 205 K C 2.384 178.937 176.600 -0.078 0.000 1.049 205 K CA 1.352 57.574 56.287 -0.110 0.000 0.933 205 K CB -0.223 32.208 32.500 -0.115 0.000 0.717 205 K HN 0.406 nan 8.250 nan 0.000 0.442 206 R N 0.554 121.022 120.500 -0.053 0.000 2.090 206 R HA -0.027 4.313 4.340 -0.000 0.000 0.228 206 R C 2.105 178.380 176.300 -0.041 0.000 1.110 206 R CA 1.522 57.599 56.100 -0.039 0.000 0.973 206 R CB -0.046 30.239 30.300 -0.025 0.000 0.869 206 R HN 0.361 nan 8.270 nan 0.000 0.440 207 I N -4.861 115.682 120.570 -0.045 0.000 4.442 207 I HA 0.299 4.469 4.170 -0.000 0.000 0.331 207 I C -0.371 175.714 176.117 -0.053 0.000 1.364 207 I CA -0.571 60.704 61.300 -0.043 0.000 1.207 207 I CB 0.831 38.812 38.000 -0.032 0.000 1.298 207 I HN -0.154 nan 8.210 nan 0.000 0.463 208 C N 2.738 121.996 119.300 -0.070 0.000 2.273 208 C HA 0.340 4.800 4.460 -0.000 0.000 0.328 208 C C 1.417 176.333 174.990 -0.123 0.000 1.275 208 C CA -0.203 58.760 59.018 -0.093 0.000 1.704 208 C CB 0.708 28.387 27.740 -0.102 0.000 2.326 208 C HN 0.413 nan 8.230 nan 0.000 0.517 209 D N 0.611 120.934 120.400 -0.128 0.000 2.144 209 D HA -0.039 4.601 4.640 -0.000 0.000 0.200 209 D C 0.606 176.775 176.300 -0.217 0.000 0.978 209 D CA 1.190 55.108 54.000 -0.137 0.000 0.833 209 D CB 0.238 40.979 40.800 -0.098 0.000 0.961 209 D HN 0.541 nan 8.370 nan 0.000 0.470 210 C N -0.067 119.013 119.300 -0.368 0.000 2.634 210 C HA 0.697 5.157 4.460 -0.000 0.000 0.313 210 C C -0.554 174.081 174.990 -0.592 0.000 1.198 210 C CA -0.716 57.934 59.018 -0.614 0.000 1.605 210 C CB 1.743 28.745 27.740 -1.230 0.000 2.196 210 C HN -0.005 nan 8.230 nan 0.000 0.486 211 V N 3.231 122.899 119.914 -0.409 0.000 2.841 211 V HA 0.890 5.010 4.120 -0.000 0.000 0.310 211 V C -0.319 175.739 176.094 -0.060 0.000 1.090 211 V CA -0.059 62.127 62.300 -0.189 0.000 0.930 211 V CB 1.984 33.735 31.823 -0.121 0.000 1.014 211 V HN 1.189 nan 8.190 nan 0.000 0.425 212 A N 5.042 127.889 122.820 0.045 0.000 2.337 212 A HA 0.909 5.229 4.320 -0.000 0.000 0.331 212 A C -1.147 176.450 177.584 0.022 0.000 1.137 212 A CA -0.593 51.485 52.037 0.068 0.000 0.807 212 A CB 1.952 21.029 19.000 0.129 0.000 1.250 212 A HN 1.038 nan 8.150 nan 0.000 0.468 213 V N 2.584 122.504 119.914 0.010 0.000 2.448 213 V HA 0.438 4.558 4.120 -0.000 0.000 0.295 213 V C -0.508 175.588 176.094 0.005 0.000 1.025 213 V CA -0.106 62.194 62.300 -0.001 0.000 0.859 213 V CB 1.128 32.949 31.823 -0.004 0.000 0.988 213 V HN 0.699 nan 8.190 nan 0.000 0.431 214 I N 3.582 124.150 120.570 -0.003 0.000 2.406 214 I HA 0.534 4.704 4.170 -0.000 0.000 0.290 214 I C -0.143 175.970 176.117 -0.007 0.000 0.999 214 I CA -0.159 61.139 61.300 -0.002 0.000 1.124 214 I CB 2.040 40.038 38.000 -0.004 0.000 1.289 214 I HN 0.598 nan 8.210 nan 0.000 0.441 215 S N 5.567 121.266 115.700 -0.000 0.000 2.647 215 S HA 0.363 4.833 4.470 -0.000 0.000 0.300 215 S C -0.009 174.591 174.600 -0.000 0.000 1.129 215 S CA -0.486 57.711 58.200 -0.004 0.000 1.029 215 S CB 0.417 63.616 63.200 -0.002 0.000 1.007 215 S HN 0.701 nan 8.310 nan 0.000 0.484 216 N N 3.044 121.742 118.700 -0.003 0.000 2.721 216 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 216 N C 0.884 176.394 175.510 -0.001 0.000 1.072 216 N CA 1.715 54.764 53.050 -0.002 0.000 0.710 216 N CB -1.437 37.049 38.487 -0.001 0.000 0.993 216 N HN 1.449 nan 8.380 nan 0.000 0.547 217 G N -1.385 107.414 108.800 -0.002 0.000 2.217 217 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.246 217 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.246 217 G C -0.192 174.708 174.900 0.001 0.000 0.990 217 G CA 0.564 45.663 45.100 -0.002 0.000 0.627 217 G HN 0.532 nan 8.290 nan 0.000 0.522 218 E N -0.358 119.845 120.200 0.006 0.000 2.199 218 E HA 0.597 4.947 4.350 -0.000 0.000 0.269 218 E C -0.705 175.903 176.600 0.014 0.000 0.899 218 E CA -1.061 55.345 56.400 0.010 0.000 0.772 218 E CB 1.746 31.456 29.700 0.015 0.000 1.155 218 E HN 0.066 nan 8.360 nan 0.000 0.408 219 L N 3.916 125.147 121.223 0.013 0.000 2.325 219 L HA 0.079 4.419 4.340 -0.000 0.000 0.284 219 L C 0.944 177.827 176.870 0.022 0.000 1.089 219 L CA 0.462 55.311 54.840 0.015 0.000 0.836 219 L CB 0.115 42.182 42.059 0.013 0.000 1.184 219 L HN 0.667 nan 8.230 nan 0.000 0.444 220 I N 1.401 121.994 120.570 0.037 0.000 2.179 220 I HA -0.151 4.019 4.170 -0.000 0.000 0.242 220 I C 0.787 176.904 176.117 -0.001 0.000 1.088 220 I CA 1.389 62.739 61.300 0.083 0.000 1.357 220 I CB -0.135 37.933 38.000 0.113 0.000 1.051 220 I HN 0.612 nan 8.210 nan 0.000 0.409 221 E N -0.450 119.737 120.200 -0.021 0.000 2.356 221 E HA 0.475 4.825 4.350 -0.000 0.000 0.275 221 E C -0.782 175.808 176.600 -0.017 0.000 0.904 221 E CA -0.666 55.697 56.400 -0.061 0.000 0.757 221 E CB 2.182 31.833 29.700 -0.082 0.000 1.232 221 E HN 0.033 nan 8.360 nan 0.000 0.442 222 Q N 2.614 122.408 119.800 -0.010 0.000 2.589 222 Q HA 0.251 4.591 4.340 -0.000 0.000 0.245 222 Q C -1.772 174.242 176.000 0.024 0.000 0.931 222 Q CA -0.350 55.481 55.803 0.046 0.000 0.730 222 Q CB 0.868 29.658 28.738 0.087 0.000 1.315 222 Q HN 0.417 nan 8.270 nan 0.000 0.469 223 D N 1.220 121.611 120.400 -0.016 0.000 2.559 223 D HA 0.355 4.995 4.640 -0.000 0.000 0.250 223 D C -0.626 175.620 176.300 -0.091 0.000 1.135 223 D CA -0.382 53.594 54.000 -0.039 0.000 0.955 223 D CB 2.007 42.776 40.800 -0.052 0.000 1.442 223 D HN 0.337 nan 8.370 nan 0.000 0.471 224 T N 0.161 114.667 114.554 -0.081 0.000 2.918 224 T HA 0.135 4.485 4.350 -0.000 0.000 0.302 224 T C 1.761 176.390 174.700 -0.117 0.000 1.045 224 T CA -0.491 61.542 62.100 -0.112 0.000 1.114 224 T CB 1.060 69.895 68.868 -0.055 0.000 0.965 224 T HN 0.077 nan 8.240 nan 0.000 0.540 225 V N 2.635 122.463 119.914 -0.143 0.000 2.343 225 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 225 V C 2.617 178.646 176.094 -0.109 0.000 1.051 225 V CA 1.933 64.149 62.300 -0.140 0.000 1.036 225 V CB -0.769 30.959 31.823 -0.159 0.000 0.654 225 V HN 0.948 nan 8.190 nan 0.000 0.451 226 S N -0.404 115.263 115.700 -0.056 0.000 2.382 226 S HA -0.192 4.277 4.470 -0.000 0.000 0.228 226 S C 1.546 176.226 174.600 0.134 0.000 1.027 226 S CA 1.381 59.604 58.200 0.037 0.000 0.991 226 S CB -0.245 62.987 63.200 0.053 0.000 0.823 226 S HN 0.713 nan 8.310 nan 0.000 0.469 227 E N 0.653 120.890 120.200 0.062 0.000 2.437 227 E HA 0.174 4.524 4.350 -0.000 0.000 0.195 227 E C -1.053 175.528 176.600 -0.031 0.000 1.029 227 E CA -0.151 56.326 56.400 0.128 0.000 0.948 227 E CB 0.662 30.427 29.700 0.109 0.000 1.082 227 E HN 0.113 nan 8.360 nan 0.000 0.456 228 V N 1.256 120.960 119.914 -0.351 0.000 2.350 228 V HA 0.214 4.334 4.120 -0.000 0.000 0.276 228 V C -0.351 175.209 176.094 -0.889 0.000 1.028 228 V CA 0.036 62.110 62.300 -0.377 0.000 0.860 228 V CB 0.295 31.985 31.823 -0.221 0.000 0.990 228 V HN 0.285 nan 8.190 nan 0.000 0.453 229 F N 2.085 122.019 119.950 -0.026 0.000 2.895 229 F HA 0.191 4.718 4.527 -0.000 0.000 0.334 229 F C 1.245 177.015 175.800 -0.050 0.000 1.252 229 F CA 0.069 58.023 58.000 -0.077 0.000 1.056 229 F CB 0.619 39.565 39.000 -0.090 0.000 1.311 229 F HN 0.481 nan 8.300 nan 0.000 0.506 230 S N -1.043 114.704 115.700 0.077 0.000 2.696 230 S HA 0.238 4.708 4.470 -0.000 0.000 0.172 230 S C 0.601 175.290 174.600 0.148 0.000 0.767 230 S CA 0.160 58.414 58.200 0.090 0.000 0.856 230 S CB -0.143 63.078 63.200 0.035 0.000 0.782 230 S HN 0.290 nan 8.310 nan 0.000 0.582 231 H N 1.829 120.895 119.070 -0.005 0.000 2.790 231 H HA 0.155 4.711 4.556 -0.000 0.000 0.358 231 H C -2.040 173.277 175.328 -0.017 0.000 1.103 231 H CA -1.802 54.240 56.048 -0.011 0.000 1.426 231 H CB 0.476 30.232 29.762 -0.010 0.000 1.424 231 H HN 0.296 nan 8.280 nan 0.000 0.599 232 P HA -0.202 nan 4.420 nan 0.000 0.142 232 P C 0.224 177.526 177.300 0.003 0.000 1.110 232 P CA 1.181 64.279 63.100 -0.003 0.000 0.901 232 P CB -0.527 31.146 31.700 -0.046 0.000 1.666 233 K N -3.132 117.277 120.400 0.016 0.000 2.372 233 K HA 0.139 4.459 4.320 -0.000 0.000 0.200 233 K C 1.168 177.757 176.600 -0.019 0.000 1.022 233 K CA -0.061 56.224 56.287 -0.002 0.000 1.125 233 K CB -0.310 32.191 32.500 0.003 0.000 0.855 233 K HN -0.113 nan 8.250 nan 0.000 0.524 234 T N 3.059 117.602 114.554 -0.019 0.000 2.624 234 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 234 T C -0.955 173.726 174.700 -0.033 0.000 1.041 234 T CA 1.773 63.857 62.100 -0.027 0.000 1.159 234 T CB -0.915 67.938 68.868 -0.025 0.000 0.863 234 T HN 0.344 nan 8.240 nan 0.000 0.434 235 P HA -0.072 nan 4.420 nan 0.000 0.217 235 P C 1.164 178.430 177.300 -0.058 0.000 1.151 235 P CA 1.143 64.218 63.100 -0.043 0.000 0.849 235 P CB -0.137 31.540 31.700 -0.037 0.000 0.787 236 L N -1.409 119.778 121.223 -0.059 0.000 2.592 236 L HA 0.198 4.538 4.340 -0.000 0.000 0.227 236 L C 2.325 179.158 176.870 -0.061 0.000 1.127 236 L CA 0.643 55.438 54.840 -0.074 0.000 0.884 236 L CB -0.890 41.115 42.059 -0.090 0.000 1.065 236 L HN -0.086 nan 8.230 nan 0.000 0.457 237 A N -1.784 121.012 122.820 -0.041 0.000 2.308 237 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 237 A C 1.904 179.481 177.584 -0.012 0.000 1.216 237 A CA -0.015 52.023 52.037 0.002 0.000 0.864 237 A CB -0.060 18.943 19.000 0.004 0.000 0.902 237 A HN 0.233 nan 8.150 nan 0.000 0.499 238 Q N 0.978 120.718 119.800 -0.100 0.000 2.124 238 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 238 Q C 0.267 175.878 176.000 -0.649 0.000 0.977 238 Q CA 1.104 56.761 55.803 -0.244 0.000 0.850 238 Q CB -0.326 28.297 28.738 -0.192 0.000 0.901 238 Q HN 0.598 nan 8.270 nan 0.000 0.429 239 K N 2.020 122.165 120.400 -0.424 0.000 2.243 239 K HA 0.014 4.334 4.320 -0.000 0.000 0.232 239 K C 0.901 177.321 176.600 -0.300 0.000 1.237 239 K CA -0.324 55.682 56.287 -0.469 0.000 1.161 239 K CB -0.301 32.074 32.500 -0.208 0.000 1.505 239 K HN 0.099 nan 8.250 nan 0.000 0.271 240 F N 0.260 120.270 119.950 0.100 0.000 2.163 240 F HA 0.042 4.569 4.527 -0.000 0.000 0.297 240 F C 0.890 176.734 175.800 0.073 0.000 1.094 240 F CA 0.077 58.148 58.000 0.118 0.000 1.290 240 F CB -0.103 38.996 39.000 0.164 0.000 1.017 240 F HN 0.134 nan 8.300 nan 0.000 0.483 241 I N 1.782 122.686 120.570 0.557 0.000 2.630 241 I HA 0.137 4.307 4.170 -0.000 0.000 0.279 241 I C -0.666 175.585 176.117 0.224 0.000 1.235 241 I CA -0.284 61.204 61.300 0.314 0.000 1.096 241 I CB 0.700 38.852 38.000 0.254 0.000 1.318 241 I HN 0.225 nan 8.210 nan 0.000 0.457 242 Q N 2.501 122.376 119.800 0.126 0.000 2.453 242 Q HA -0.156 4.184 4.340 -0.000 0.000 0.294 242 Q C 0.068 176.131 176.000 0.106 0.000 1.295 242 Q CA 0.645 56.502 55.803 0.090 0.000 0.853 242 Q CB -1.727 27.061 28.738 0.083 0.000 1.193 242 Q HN 0.691 nan 8.270 nan 0.000 0.461 243 S N 0.811 116.568 115.700 0.095 0.000 2.537 243 S HA 0.196 4.666 4.470 -0.000 0.000 0.286 243 S C 0.638 175.279 174.600 0.069 0.000 1.299 243 S CA 0.041 58.298 58.200 0.096 0.000 1.067 243 S CB 0.777 63.952 63.200 -0.042 0.000 0.864 243 S HN 0.241 nan 8.310 nan 0.000 0.494 244 T N 4.108 118.723 114.554 0.101 0.000 2.904 244 T HA 0.184 4.534 4.350 -0.000 0.000 0.290 244 T C 1.521 176.286 174.700 0.109 0.000 1.018 244 T CA -0.632 61.531 62.100 0.105 0.000 1.075 244 T CB 0.559 69.497 68.868 0.116 0.000 0.986 244 T HN 0.300 nan 8.240 nan 0.000 0.523 245 L N 1.164 122.461 121.223 0.123 0.000 2.201 245 L HA -0.019 4.321 4.340 -0.000 0.000 0.212 245 L C 2.169 179.074 176.870 0.058 0.000 1.105 245 L CA 1.657 56.544 54.840 0.077 0.000 0.775 245 L CB -0.838 41.256 42.059 0.059 0.000 0.913 245 L HN 0.688 nan 8.230 nan 0.000 0.440 246 H N -1.631 117.461 119.070 0.036 0.000 2.491 246 H HA -0.067 4.489 4.556 -0.000 0.000 0.290 246 H C 1.898 177.252 175.328 0.045 0.000 1.050 246 H CA 0.838 56.910 56.048 0.042 0.000 1.309 246 H CB -0.017 29.771 29.762 0.043 0.000 1.392 246 H HN 0.094 nan 8.280 nan 0.000 0.554 247 L N 0.169 121.482 121.223 0.150 0.000 2.083 247 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 247 L C 1.385 178.298 176.870 0.072 0.000 1.083 247 L CA 1.599 56.510 54.840 0.118 0.000 0.752 247 L CB -0.287 41.872 42.059 0.167 0.000 0.899 247 L HN 0.243 nan 8.230 nan 0.000 0.433 248 D N -0.763 119.664 120.400 0.046 0.000 2.328 248 D HA 0.167 4.807 4.640 -0.000 0.000 0.226 248 D C 0.611 176.913 176.300 0.003 0.000 1.066 248 D CA 0.519 54.529 54.000 0.017 0.000 0.861 248 D CB 0.356 41.156 40.800 -0.001 0.000 0.912 248 D HN 0.297 nan 8.370 nan 0.000 0.521 249 I N 1.412 121.984 120.570 0.004 0.000 2.833 249 I HA 0.201 4.371 4.170 -0.000 0.000 0.286 249 I C -2.575 173.567 176.117 0.041 0.000 1.287 249 I CA -1.543 59.751 61.300 -0.010 0.000 1.046 249 I CB 1.485 39.420 38.000 -0.108 0.000 1.612 249 I HN -0.422 nan 8.210 nan 0.000 0.585 250 P HA 0.180 nan 4.420 nan 0.000 0.288 250 P C 0.767 178.227 177.300 0.267 0.000 1.363 250 P CA -0.144 63.062 63.100 0.177 0.000 0.837 250 P CB 1.059 32.740 31.700 -0.033 0.000 0.981 251 E N 3.260 123.576 120.200 0.193 0.000 2.085 251 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 251 E C 1.074 177.736 176.600 0.103 0.000 0.994 251 E CA 1.537 58.011 56.400 0.124 0.000 0.801 251 E CB 0.114 29.862 29.700 0.081 0.000 0.743 251 E HN 0.441 nan 8.360 nan 0.000 0.453 252 D N -0.827 119.614 120.400 0.068 0.000 2.323 252 D HA -0.159 4.481 4.640 -0.000 0.000 0.209 252 D C 1.362 177.630 176.300 -0.054 0.000 0.973 252 D CA 0.616 54.596 54.000 -0.033 0.000 0.874 252 D CB -0.617 40.109 40.800 -0.122 0.000 0.930 252 D HN 0.357 nan 8.370 nan 0.000 0.521 253 Y N 1.122 121.448 120.300 0.042 0.000 2.200 253 Y HA -0.053 4.497 4.550 -0.000 0.000 0.290 253 Y C 2.709 178.635 175.900 0.043 0.000 1.137 253 Y CA 1.309 59.436 58.100 0.045 0.000 1.163 253 Y CB -0.239 38.245 38.460 0.041 0.000 0.988 253 Y HN -0.009 nan 8.280 nan 0.000 0.518 254 Q N 0.122 120.032 119.800 0.184 0.000 2.079 254 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 254 Q C 2.100 178.147 176.000 0.078 0.000 0.974 254 Q CA 1.619 57.489 55.803 0.111 0.000 0.840 254 Q CB -0.201 28.587 28.738 0.083 0.000 0.898 254 Q HN 0.692 nan 8.270 nan 0.000 0.430 255 E N 0.569 120.805 120.200 0.059 0.000 2.274 255 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 255 E C 1.317 177.943 176.600 0.043 0.000 0.996 255 E CA 0.659 57.083 56.400 0.040 0.000 0.840 255 E CB -0.011 29.704 29.700 0.024 0.000 0.772 255 E HN 0.175 nan 8.360 nan 0.000 0.491 256 R N 0.345 120.873 120.500 0.048 0.000 2.393 256 R HA 0.232 4.572 4.340 -0.000 0.000 0.244 256 R C -0.287 176.080 176.300 0.111 0.000 0.920 256 R CA -0.350 55.785 56.100 0.058 0.000 1.076 256 R CB 0.322 30.628 30.300 0.010 0.000 1.119 256 R HN 0.112 nan 8.270 nan 0.000 0.524 257 L N 1.587 122.879 121.223 0.115 0.000 2.264 257 L HA 0.252 4.592 4.340 -0.000 0.000 0.289 257 L C -0.930 176.033 176.870 0.154 0.000 1.044 257 L CA -0.072 54.851 54.840 0.139 0.000 0.807 257 L CB 1.266 43.393 42.059 0.113 0.000 1.192 257 L HN -0.081 nan 8.230 nan 0.000 0.425 258 Q N 3.945 123.883 119.800 0.230 0.000 2.333 258 Q HA 0.469 4.809 4.340 -0.000 0.000 0.268 258 Q C 0.482 176.643 176.000 0.268 0.000 1.007 258 Q CA 0.080 56.038 55.803 0.258 0.000 0.810 258 Q CB 2.048 31.031 28.738 0.409 0.000 1.264 258 Q HN 0.857 nan 8.270 nan 0.000 0.452 259 A N 2.649 125.581 122.820 0.187 0.000 1.898 259 A HA -0.080 4.239 4.320 -0.000 0.000 0.216 259 A C 0.897 178.612 177.584 0.219 0.000 1.181 259 A CA 0.902 53.038 52.037 0.164 0.000 0.620 259 A CB 0.076 19.135 19.000 0.099 0.000 0.819 259 A HN 0.613 nan 8.150 nan 0.000 0.442 260 E N 1.430 121.759 120.200 0.215 0.000 2.344 260 E HA 0.155 4.505 4.350 -0.000 0.000 0.270 260 E C -2.395 174.364 176.600 0.265 0.000 1.021 260 E CA -2.063 54.458 56.400 0.203 0.000 0.887 260 E CB 0.656 30.442 29.700 0.143 0.000 0.997 260 E HN 0.239 nan 8.360 nan 0.000 0.429 261 P HA 0.076 nan 4.420 nan 0.000 0.271 261 P C -0.866 176.357 177.300 -0.129 0.000 1.220 261 P CA 0.212 63.215 63.100 -0.161 0.000 0.768 261 P CB 0.004 31.688 31.700 -0.026 0.000 0.848 262 F N -1.273 118.427 119.950 -0.415 0.000 2.626 262 F HA 0.545 5.072 4.527 -0.000 0.000 0.311 262 F C -0.246 175.405 175.800 -0.249 0.000 1.088 262 F CA -1.256 56.599 58.000 -0.242 0.000 0.949 262 F CB 0.397 39.311 39.000 -0.143 0.000 1.322 262 F HN 0.020 nan 8.300 nan 0.000 0.461 263 T N 1.733 116.335 114.554 0.080 0.000 2.928 263 T HA 0.098 4.448 4.350 -0.000 0.000 0.305 263 T C -0.563 174.150 174.700 0.022 0.000 1.035 263 T CA 0.862 62.966 62.100 0.005 0.000 1.145 263 T CB -0.209 68.680 68.868 0.035 0.000 0.963 263 T HN 0.737 nan 8.240 nan 0.000 0.545 264 D N 0.277 120.648 120.400 -0.048 0.000 2.697 264 D HA -0.143 4.497 4.640 -0.000 0.000 0.238 264 D C 0.181 176.457 176.300 -0.040 0.000 1.152 264 D CA 0.640 54.623 54.000 -0.028 0.000 0.666 264 D CB -1.634 39.176 40.800 0.017 0.000 1.037 264 D HN 0.772 nan 8.370 nan 0.000 0.423 265 C N -2.994 116.204 119.300 -0.171 0.000 2.802 265 C HA 0.767 5.227 4.460 -0.000 0.000 0.307 265 C C 0.523 175.473 174.990 -0.067 0.000 1.222 265 C CA -1.064 57.841 59.018 -0.188 0.000 1.580 265 C CB 1.569 28.902 27.740 -0.679 0.000 2.119 265 C HN 0.098 nan 8.230 nan 0.000 0.479 266 V N 3.815 123.748 119.914 0.031 0.000 2.521 266 V HA 0.350 4.470 4.120 -0.000 0.000 0.286 266 V C -1.558 174.656 176.094 0.200 0.000 1.034 266 V CA -0.366 62.005 62.300 0.119 0.000 1.045 266 V CB 0.621 32.519 31.823 0.125 0.000 0.974 266 V HN 0.876 nan 8.190 nan 0.000 0.480 267 P HA 0.366 nan 4.420 nan 0.000 0.288 267 P C -0.851 176.393 177.300 -0.092 0.000 1.267 267 P CA -0.685 62.406 63.100 -0.015 0.000 0.815 267 P CB 1.494 33.198 31.700 0.008 0.000 0.989 268 M N 3.926 123.385 119.600 -0.234 0.000 2.311 268 M HA 0.451 4.931 4.480 -0.000 0.000 0.325 268 M C -1.591 174.601 176.300 -0.180 0.000 1.061 268 M CA -0.795 54.423 55.300 -0.136 0.000 0.957 268 M CB 0.958 33.511 32.600 -0.078 0.000 1.646 268 M HN 0.255 nan 8.290 nan 0.000 0.434 269 L N 3.654 124.805 121.223 -0.120 0.000 2.354 269 L HA 0.648 4.988 4.340 -0.000 0.000 0.264 269 L C -0.627 176.187 176.870 -0.093 0.000 1.008 269 L CA -0.946 53.825 54.840 -0.116 0.000 0.819 269 L CB 2.371 44.371 42.059 -0.098 0.000 1.339 269 L HN 0.699 nan 8.230 nan 0.000 0.420 270 R N 2.508 122.953 120.500 -0.092 0.000 2.295 270 R HA 0.715 5.055 4.340 -0.000 0.000 0.324 270 R C -1.660 174.572 176.300 -0.113 0.000 0.968 270 R CA -0.473 55.577 56.100 -0.083 0.000 0.837 270 R CB 0.950 31.211 30.300 -0.065 0.000 1.133 270 R HN 0.581 nan 8.270 nan 0.000 0.450 271 L N 3.189 124.324 121.223 -0.146 0.000 2.365 271 L HA 0.532 4.872 4.340 -0.000 0.000 0.273 271 L C -0.463 176.228 176.870 -0.297 0.000 1.000 271 L CA -0.726 53.956 54.840 -0.265 0.000 0.819 271 L CB 2.113 43.942 42.059 -0.384 0.000 1.284 271 L HN 0.683 nan 8.230 nan 0.000 0.418 272 E N 1.905 121.906 120.200 -0.332 0.000 2.293 272 E HA 0.480 4.830 4.350 -0.000 0.000 0.270 272 E C -1.757 174.646 176.600 -0.328 0.000 0.879 272 E CA -0.669 55.597 56.400 -0.224 0.000 0.756 272 E CB 1.882 31.525 29.700 -0.096 0.000 1.208 272 E HN 0.321 nan 8.360 nan 0.000 0.428 273 F N 2.534 122.450 119.950 -0.056 0.000 2.405 273 F HA 0.225 4.752 4.527 -0.000 0.000 0.355 273 F C 1.525 177.222 175.800 -0.173 0.000 1.121 273 F CA -0.392 57.560 58.000 -0.080 0.000 1.112 273 F CB 1.798 40.757 39.000 -0.069 0.000 1.126 273 F HN 0.505 nan 8.300 nan 0.000 0.481 274 T N 1.757 116.274 114.554 -0.060 0.000 2.746 274 T HA -0.033 4.316 4.350 -0.000 0.000 0.267 274 T C 1.589 175.930 174.700 -0.599 0.000 1.039 274 T CA 1.707 63.617 62.100 -0.316 0.000 1.142 274 T CB -0.206 68.532 68.868 -0.218 0.000 0.866 274 T HN 0.920 nan 8.240 nan 0.000 0.444 275 G N 0.000 108.645 108.800 -0.258 0.000 4.657 275 G HA2 0.126 4.086 3.960 -0.000 0.000 0.213 275 G HA3 0.126 4.086 3.960 -0.000 0.000 0.213 275 G C -0.303 174.554 174.900 -0.072 0.000 0.912 275 G CA -0.580 44.370 45.100 -0.250 0.000 0.815 275 G HN 0.331 nan 8.290 nan 0.000 0.384 276 Q N 1.300 121.100 119.800 0.000 0.000 2.361 276 Q HA 0.411 4.751 4.340 -0.000 0.000 0.276 276 Q C 0.275 176.221 176.000 -0.091 0.000 1.022 276 Q CA 0.192 55.987 55.803 -0.014 0.000 0.898 276 Q CB 0.932 29.685 28.738 0.024 0.000 1.246 276 Q HN 0.270 nan 8.270 nan 0.000 0.410 277 S N 0.915 116.571 115.700 -0.073 0.000 2.584 277 S HA -0.003 4.467 4.470 -0.000 0.000 0.270 277 S C 1.449 175.978 174.600 -0.119 0.000 1.346 277 S CA -0.748 57.405 58.200 -0.078 0.000 1.018 277 S CB 1.082 64.255 63.200 -0.045 0.000 0.899 277 S HN 0.498 nan 8.310 nan 0.000 0.542 278 V N 1.460 121.313 119.914 -0.103 0.000 2.407 278 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 278 V C 1.668 177.709 176.094 -0.088 0.000 1.055 278 V CA 1.715 63.950 62.300 -0.109 0.000 1.049 278 V CB -0.552 31.236 31.823 -0.057 0.000 0.662 278 V HN 0.749 nan 8.190 nan 0.000 0.455 279 D N 0.523 120.887 120.400 -0.059 0.000 2.420 279 D HA -0.015 4.625 4.640 -0.000 0.000 0.233 279 D C 0.808 177.076 176.300 -0.053 0.000 1.017 279 D CA 0.955 54.928 54.000 -0.046 0.000 0.951 279 D CB -0.116 40.666 40.800 -0.029 0.000 0.877 279 D HN 0.485 nan 8.370 nan 0.000 0.528 280 A N 1.683 124.456 122.820 -0.078 0.000 2.786 280 A HA 0.336 4.656 4.320 -0.000 0.000 0.346 280 A C -2.240 175.296 177.584 -0.080 0.000 1.265 280 A CA -1.147 50.847 52.037 -0.072 0.000 0.858 280 A CB 0.653 19.607 19.000 -0.075 0.000 1.118 280 A HN -0.128 nan 8.150 nan 0.000 0.482 281 P HA 0.188 nan 4.420 nan 0.000 0.225 281 P C 0.749 178.052 177.300 0.004 0.000 1.830 281 P CA -0.194 62.881 63.100 -0.040 0.000 1.051 281 P CB 0.317 31.993 31.700 -0.040 0.000 1.929 282 L N 0.665 121.921 121.223 0.055 0.000 2.083 282 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 282 L C 2.487 179.418 176.870 0.102 0.000 1.083 282 L CA 1.321 56.244 54.840 0.139 0.000 0.752 282 L CB -0.647 41.570 42.059 0.263 0.000 0.899 282 L HN 0.183 nan 8.230 nan 0.000 0.433 283 L N -0.931 120.344 121.223 0.087 0.000 2.017 283 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 283 L C 2.749 179.618 176.870 -0.002 0.000 1.073 283 L CA 1.306 56.179 54.840 0.054 0.000 0.745 283 L CB -0.530 41.560 42.059 0.053 0.000 0.894 283 L HN 0.183 nan 8.230 nan 0.000 0.432 284 S N -0.651 115.039 115.700 -0.018 0.000 2.368 284 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 284 S C 1.839 176.386 174.600 -0.089 0.000 1.030 284 S CA 1.449 59.621 58.200 -0.046 0.000 0.999 284 S CB -0.180 62.995 63.200 -0.041 0.000 0.844 284 S HN 0.370 nan 8.310 nan 0.000 0.459 285 E N 1.429 121.569 120.200 -0.100 0.000 2.051 285 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 285 E C 2.252 178.651 176.600 -0.335 0.000 0.991 285 E CA 2.105 58.396 56.400 -0.181 0.000 0.799 285 E CB -0.602 29.015 29.700 -0.137 0.000 0.748 285 E HN 0.628 nan 8.360 nan 0.000 0.449 286 T N -1.983 112.377 114.554 -0.324 0.000 2.904 286 T HA 0.041 4.391 4.350 -0.000 0.000 0.267 286 T C 1.975 176.517 174.700 -0.263 0.000 1.059 286 T CA 1.243 63.079 62.100 -0.440 0.000 1.137 286 T CB -0.485 68.303 68.868 -0.134 0.000 0.879 286 T HN 0.209 nan 8.240 nan 0.000 0.467 287 A N 2.281 125.017 122.820 -0.139 0.000 1.877 287 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 287 A C 2.625 180.140 177.584 -0.114 0.000 1.186 287 A CA 1.516 53.505 52.037 -0.079 0.000 0.620 287 A CB -0.681 18.288 19.000 -0.051 0.000 0.822 287 A HN 0.553 nan 8.150 nan 0.000 0.443 288 R N -0.786 119.619 120.500 -0.159 0.000 2.073 288 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 288 R C 2.520 178.693 176.300 -0.210 0.000 1.134 288 R CA 1.644 57.649 56.100 -0.158 0.000 0.952 288 R CB -0.320 29.887 30.300 -0.155 0.000 0.850 288 R HN 0.490 nan 8.270 nan 0.000 0.433 289 R N -0.485 119.785 120.500 -0.383 0.000 2.075 289 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 289 R C 1.479 177.548 176.300 -0.384 0.000 1.126 289 R CA 1.086 56.874 56.100 -0.519 0.000 0.963 289 R CB -0.051 29.695 30.300 -0.923 0.000 0.858 289 R HN 0.184 nan 8.270 nan 0.000 0.435 290 F N 0.064 119.920 119.950 -0.157 0.000 2.695 290 F HA 0.196 4.723 4.527 -0.000 0.000 0.303 290 F C 0.282 176.042 175.800 -0.067 0.000 1.091 290 F CA -1.017 56.915 58.000 -0.113 0.000 1.300 290 F CB -0.683 38.244 39.000 -0.122 0.000 1.071 290 F HN -0.012 nan 8.300 nan 0.000 0.578 291 N N 0.891 119.635 118.700 0.074 0.000 2.708 291 N HA -0.157 4.583 4.740 -0.000 0.000 0.255 291 N C -0.954 174.598 175.510 0.069 0.000 1.046 291 N CA 0.727 53.807 53.050 0.051 0.000 0.715 291 N CB -0.865 37.650 38.487 0.047 0.000 0.895 291 N HN 0.162 nan 8.380 nan 0.000 0.545 292 V N -1.869 118.084 119.914 0.066 0.000 3.001 292 V HA 0.820 4.939 4.120 -0.000 0.000 0.314 292 V C -0.177 175.942 176.094 0.042 0.000 1.099 292 V CA -1.146 61.195 62.300 0.069 0.000 0.989 292 V CB 2.427 34.300 31.823 0.084 0.000 1.040 292 V HN 0.223 nan 8.190 nan 0.000 0.434 293 N N 2.314 121.038 118.700 0.039 0.000 2.342 293 N HA 0.491 5.231 4.740 -0.000 0.000 0.293 293 N C -1.292 174.153 175.510 -0.108 0.000 1.026 293 N CA -0.463 52.584 53.050 -0.005 0.000 0.857 293 N CB 1.493 40.020 38.487 0.067 0.000 1.256 293 N HN 0.778 nan 8.380 nan 0.000 0.484 294 N N 1.618 120.266 118.700 -0.087 0.000 2.437 294 N HA 0.246 4.986 4.740 -0.000 0.000 0.259 294 N C -0.883 174.550 175.510 -0.129 0.000 0.983 294 N CA -0.211 52.779 53.050 -0.101 0.000 0.937 294 N CB 0.994 39.459 38.487 -0.038 0.000 1.122 294 N HN 0.347 nan 8.380 nan 0.000 0.499 295 N N 2.851 121.438 118.700 -0.188 0.000 2.476 295 N HA 0.350 5.090 4.740 -0.000 0.000 0.257 295 N C -0.414 175.051 175.510 -0.074 0.000 0.970 295 N CA -0.273 52.698 53.050 -0.131 0.000 0.938 295 N CB 1.819 40.188 38.487 -0.197 0.000 1.144 295 N HN 0.386 nan 8.380 nan 0.000 0.500 296 I N 3.445 123.987 120.570 -0.046 0.000 2.306 296 I HA 0.203 4.373 4.170 -0.000 0.000 0.288 296 I C 1.725 177.798 176.117 -0.073 0.000 1.036 296 I CA -0.388 60.884 61.300 -0.047 0.000 1.221 296 I CB 1.058 39.045 38.000 -0.022 0.000 1.385 296 I HN 0.436 nan 8.210 nan 0.000 0.472 297 I N 3.834 124.327 120.570 -0.128 0.000 2.142 297 I HA -0.185 3.985 4.170 -0.000 0.000 0.240 297 I C 0.898 176.927 176.117 -0.147 0.000 1.078 297 I CA 1.232 62.387 61.300 -0.241 0.000 1.343 297 I CB -0.103 37.680 38.000 -0.361 0.000 1.046 297 I HN 0.722 nan 8.210 nan 0.000 0.405 298 S N -0.522 115.128 115.700 -0.082 0.000 2.547 298 S HA 0.822 5.292 4.470 -0.000 0.000 0.270 298 S C -0.922 173.676 174.600 -0.003 0.000 1.150 298 S CA -0.296 57.888 58.200 -0.027 0.000 0.850 298 S CB 2.369 65.573 63.200 0.005 0.000 1.118 298 S HN 0.436 nan 8.310 nan 0.000 0.461 299 A N 1.420 124.225 122.820 -0.024 0.000 2.541 299 A HA 0.619 4.939 4.320 -0.000 0.000 0.312 299 A C -1.558 175.919 177.584 -0.178 0.000 1.025 299 A CA -0.673 51.325 52.037 -0.066 0.000 0.887 299 A CB 0.715 19.721 19.000 0.009 0.000 1.189 299 A HN 0.818 nan 8.150 nan 0.000 0.377 300 Q N 1.290 120.844 119.800 -0.411 0.000 2.359 300 Q HA 0.729 5.069 4.340 -0.000 0.000 0.274 300 Q C -1.103 174.656 176.000 -0.402 0.000 1.074 300 Q CA -0.525 55.003 55.803 -0.459 0.000 0.810 300 Q CB 2.768 31.092 28.738 -0.690 0.000 1.342 300 Q HN 0.788 nan 8.270 nan 0.000 0.427 301 M N 1.510 120.995 119.600 -0.190 0.000 2.311 301 M HA 0.459 4.939 4.480 -0.000 0.000 0.325 301 M C -1.126 175.165 176.300 -0.016 0.000 1.061 301 M CA -0.556 54.693 55.300 -0.084 0.000 0.957 301 M CB 1.696 34.235 32.600 -0.101 0.000 1.646 301 M HN 0.550 nan 8.290 nan 0.000 0.434 302 D N 0.508 120.944 120.400 0.059 0.000 2.614 302 D HA 0.468 5.108 4.640 -0.000 0.000 0.264 302 D C -1.837 174.510 176.300 0.078 0.000 1.092 302 D CA -0.206 53.886 54.000 0.153 0.000 1.071 302 D CB 1.579 42.487 40.800 0.181 0.000 1.443 302 D HN 0.334 nan 8.370 nan 0.000 0.528 303 Y N 0.087 120.372 120.300 -0.026 0.000 2.331 303 Y HA 0.638 5.188 4.550 -0.000 0.000 0.338 303 Y C 0.118 175.874 175.900 -0.238 0.000 0.976 303 Y CA -0.793 57.254 58.100 -0.088 0.000 1.137 303 Y CB 1.924 40.353 38.460 -0.051 0.000 1.172 303 Y HN 0.307 nan 8.280 nan 0.000 0.478 304 A N 1.844 124.469 122.820 -0.325 0.000 2.318 304 A HA 0.596 4.916 4.320 -0.000 0.000 0.317 304 A C 0.935 178.387 177.584 -0.221 0.000 1.159 304 A CA -0.171 51.576 52.037 -0.483 0.000 0.799 304 A CB 0.455 18.700 19.000 -1.257 0.000 1.194 304 A HN 1.343 nan 8.150 nan 0.000 0.479 305 G N 1.149 109.870 108.800 -0.132 0.000 2.186 305 G HA2 0.091 4.051 3.960 -0.000 0.000 0.266 305 G HA3 0.091 4.051 3.960 -0.000 0.000 0.266 305 G C 1.648 176.555 174.900 0.011 0.000 0.982 305 G CA 1.325 46.389 45.100 -0.061 0.000 0.670 305 G HN 2.834 nan 8.290 nan 0.000 0.533 306 G N -2.719 106.124 108.800 0.071 0.000 2.141 306 G HA2 0.154 4.114 3.960 -0.000 0.000 0.242 306 G HA3 0.154 4.114 3.960 -0.000 0.000 0.242 306 G C 0.701 175.752 174.900 0.252 0.000 0.982 306 G CA 1.248 46.463 45.100 0.191 0.000 0.662 306 G HN 2.336 nan 8.290 nan 0.000 0.527 307 V N -3.302 116.686 119.914 0.123 0.000 3.001 307 V HA 0.833 4.953 4.120 -0.000 0.000 0.314 307 V C 0.540 176.587 176.094 -0.077 0.000 1.099 307 V CA -1.211 61.121 62.300 0.052 0.000 0.989 307 V CB 1.814 33.716 31.823 0.131 0.000 1.040 307 V HN 0.463 nan 8.190 nan 0.000 0.434 308 K N 1.320 121.652 120.400 -0.114 0.000 2.436 308 K HA 0.331 4.651 4.320 -0.000 0.000 0.275 308 K C -1.541 175.275 176.600 0.361 0.000 0.999 308 K CA 0.134 56.362 56.287 -0.099 0.000 0.980 308 K CB 0.231 32.649 32.500 -0.135 0.000 0.919 308 K HN 0.702 nan 8.250 nan 0.000 0.484 309 F N 1.137 121.055 119.950 -0.053 0.000 2.569 309 F HA 0.483 5.010 4.527 -0.000 0.000 0.312 309 F C 0.173 176.008 175.800 0.058 0.000 1.109 309 F CA -0.779 57.287 58.000 0.110 0.000 0.919 309 F CB 2.770 41.839 39.000 0.114 0.000 1.211 309 F HN 0.692 nan 8.300 nan 0.000 0.446 310 G N 4.660 113.594 108.800 0.223 0.000 2.635 310 G HA2 0.575 4.535 3.960 -0.000 0.000 0.295 310 G HA3 0.575 4.535 3.960 -0.000 0.000 0.295 310 G C -1.843 173.254 174.900 0.328 0.000 1.359 310 G CA -0.437 44.791 45.100 0.215 0.000 1.232 310 G HN 0.535 nan 8.290 nan 0.000 0.597 311 I N 2.423 123.119 120.570 0.210 0.000 2.436 311 I HA 0.541 4.711 4.170 -0.000 0.000 0.289 311 I C -0.132 176.061 176.117 0.128 0.000 1.010 311 I CA -0.711 60.693 61.300 0.174 0.000 1.098 311 I CB 2.258 40.416 38.000 0.263 0.000 1.266 311 I HN 0.371 nan 8.210 nan 0.000 0.434 312 M N 7.493 127.134 119.600 0.067 0.000 2.197 312 M HA 0.538 5.018 4.480 -0.000 0.000 0.301 312 M C -1.829 174.466 176.300 -0.008 0.000 0.987 312 M CA -0.568 54.764 55.300 0.053 0.000 0.921 312 M CB 1.669 34.348 32.600 0.131 0.000 1.569 312 M HN 0.468 nan 8.290 nan 0.000 0.431 313 L N 3.793 125.013 121.223 -0.006 0.000 2.282 313 L HA 0.685 5.025 4.340 -0.000 0.000 0.288 313 L C -0.079 176.757 176.870 -0.056 0.000 1.033 313 L CA -0.345 54.472 54.840 -0.038 0.000 0.807 313 L CB 1.804 43.840 42.059 -0.037 0.000 1.209 313 L HN 0.731 nan 8.230 nan 0.000 0.423 314 T N 1.852 116.369 114.554 -0.062 0.000 2.816 314 T HA 0.419 4.769 4.350 -0.000 0.000 0.299 314 T C -1.441 173.225 174.700 -0.056 0.000 1.230 314 T CA -0.565 61.499 62.100 -0.061 0.000 1.007 314 T CB 1.875 70.715 68.868 -0.046 0.000 1.289 314 T HN 0.628 nan 8.240 nan 0.000 0.508 315 E N 1.513 121.679 120.200 -0.057 0.000 2.212 315 E HA 0.504 4.854 4.350 -0.000 0.000 0.268 315 E C -0.994 175.537 176.600 -0.114 0.000 0.902 315 E CA -0.695 55.681 56.400 -0.041 0.000 0.779 315 E CB 2.546 32.261 29.700 0.026 0.000 1.172 315 E HN 0.492 nan 8.360 nan 0.000 0.409 316 M N 3.146 122.716 119.600 -0.050 0.000 2.311 316 M HA 0.297 4.777 4.480 -0.000 0.000 0.325 316 M C -1.473 174.879 176.300 0.086 0.000 1.061 316 M CA -0.699 54.575 55.300 -0.043 0.000 0.957 316 M CB 0.963 33.566 32.600 0.005 0.000 1.646 316 M HN 0.544 nan 8.290 nan 0.000 0.434 317 H N 2.847 121.937 119.070 0.033 0.000 2.463 317 H HA 0.887 5.443 4.556 -0.000 0.000 0.332 317 H C 0.298 175.643 175.328 0.028 0.000 1.127 317 H CA -0.214 55.853 56.048 0.032 0.000 1.238 317 H CB 1.580 31.361 29.762 0.032 0.000 1.478 317 H HN 0.948 nan 8.280 nan 0.000 0.499 318 G N 0.753 109.638 108.800 0.141 0.000 2.398 318 G HA2 0.212 4.172 3.960 -0.000 0.000 0.251 318 G HA3 0.212 4.172 3.960 -0.000 0.000 0.251 318 G C -0.912 174.016 174.900 0.047 0.000 1.277 318 G CA -0.205 44.944 45.100 0.082 0.000 0.927 318 G HN 0.781 nan 8.290 nan 0.000 0.477 319 T N -2.022 112.551 114.554 0.032 0.000 2.908 319 T HA 0.598 4.948 4.350 -0.000 0.000 0.290 319 T C 0.917 175.618 174.700 0.003 0.000 1.034 319 T CA -0.088 62.021 62.100 0.015 0.000 1.010 319 T CB 2.327 71.201 68.868 0.011 0.000 1.068 319 T HN 0.554 nan 8.240 nan 0.000 0.481 320 Q N 0.305 120.102 119.800 -0.004 0.000 2.084 320 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 320 Q C 2.321 178.302 176.000 -0.032 0.000 0.978 320 Q CA 1.762 57.557 55.803 -0.014 0.000 0.844 320 Q CB -0.138 28.593 28.738 -0.013 0.000 0.898 320 Q HN 0.747 nan 8.270 nan 0.000 0.426 321 Q N 0.217 119.999 119.800 -0.032 0.000 2.119 321 Q HA -0.154 4.186 4.340 -0.000 0.000 0.201 321 Q C 1.520 177.470 176.000 -0.083 0.000 0.972 321 Q CA 1.071 56.847 55.803 -0.045 0.000 0.847 321 Q CB 0.129 28.850 28.738 -0.027 0.000 0.903 321 Q HN 0.367 nan 8.270 nan 0.000 0.433 322 D N -0.090 120.267 120.400 -0.072 0.000 2.117 322 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 322 D C 2.130 178.287 176.300 -0.238 0.000 0.982 322 D CA 1.926 55.856 54.000 -0.116 0.000 0.828 322 D CB -0.274 40.518 40.800 -0.013 0.000 0.967 322 D HN 0.375 nan 8.370 nan 0.000 0.464 323 T N -1.225 113.250 114.554 -0.132 0.000 2.857 323 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 323 T C 1.926 176.547 174.700 -0.132 0.000 1.048 323 T CA 0.879 62.908 62.100 -0.118 0.000 1.139 323 T CB -0.317 68.533 68.868 -0.031 0.000 0.874 323 T HN 0.124 nan 8.240 nan 0.000 0.455 324 Q N 1.060 120.794 119.800 -0.110 0.000 2.124 324 Q HA 0.026 4.366 4.340 -0.000 0.000 0.202 324 Q C 2.817 178.744 176.000 -0.122 0.000 0.977 324 Q CA 1.463 57.216 55.803 -0.084 0.000 0.850 324 Q CB -0.503 28.203 28.738 -0.053 0.000 0.901 324 Q HN 0.746 nan 8.270 nan 0.000 0.429 325 A N 1.164 123.850 122.820 -0.224 0.000 1.940 325 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 325 A C 2.301 179.686 177.584 -0.332 0.000 1.176 325 A CA 1.595 53.453 52.037 -0.298 0.000 0.631 325 A CB -0.743 17.959 19.000 -0.497 0.000 0.814 325 A HN 0.411 nan 8.150 nan 0.000 0.446 326 A N 0.773 123.321 122.820 -0.454 0.000 1.877 326 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 326 A C 2.177 179.831 177.584 0.116 0.000 1.186 326 A CA 1.689 53.647 52.037 -0.130 0.000 0.620 326 A CB -0.835 18.134 19.000 -0.050 0.000 0.822 326 A HN 1.031 nan 8.150 nan 0.000 0.443 327 I N -2.880 117.711 120.570 0.035 0.000 2.315 327 I HA -0.012 4.158 4.170 -0.000 0.000 0.248 327 I C 2.378 178.533 176.117 0.063 0.000 1.117 327 I CA 1.448 62.776 61.300 0.048 0.000 1.404 327 I CB -0.480 37.521 38.000 0.002 0.000 1.071 327 I HN 0.178 nan 8.210 nan 0.000 0.419 328 A N 0.799 123.649 122.820 0.050 0.000 1.898 328 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 328 A C 2.138 179.791 177.584 0.116 0.000 1.181 328 A CA 1.414 53.481 52.037 0.051 0.000 0.620 328 A CB -1.386 17.628 19.000 0.023 0.000 0.819 328 A HN 0.797 nan 8.150 nan 0.000 0.442 329 W N 0.675 121.996 121.300 0.035 0.000 2.358 329 W HA -0.117 4.543 4.660 -0.000 0.000 0.303 329 W C 1.677 178.325 176.519 0.215 0.000 1.208 329 W CA 1.762 59.204 57.345 0.160 0.000 1.274 329 W CB -0.199 29.471 29.460 0.350 0.000 1.138 329 W HN 0.245 nan 8.180 nan 0.000 0.515 330 L N 0.257 121.681 121.223 0.335 0.000 2.083 330 L HA -0.256 4.084 4.340 -0.000 0.000 0.209 330 L C 2.719 179.579 176.870 -0.017 0.000 1.083 330 L CA 1.865 56.806 54.840 0.169 0.000 0.752 330 L CB -1.089 41.099 42.059 0.216 0.000 0.899 330 L HN 0.122 nan 8.230 nan 0.000 0.433 331 Q N 0.381 120.164 119.800 -0.029 0.000 2.124 331 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 331 Q C 1.996 177.919 176.000 -0.128 0.000 0.977 331 Q CA 1.685 57.457 55.803 -0.052 0.000 0.850 331 Q CB 0.060 28.779 28.738 -0.033 0.000 0.901 331 Q HN 0.520 nan 8.270 nan 0.000 0.429 332 E N -0.499 119.543 120.200 -0.263 0.000 2.118 332 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 332 E C 1.171 177.340 176.600 -0.718 0.000 0.992 332 E CA 0.858 56.981 56.400 -0.461 0.000 0.804 332 E CB -0.028 29.259 29.700 -0.689 0.000 0.741 332 E HN 0.506 nan 8.360 nan 0.000 0.458 333 H N -0.178 118.575 119.070 -0.528 0.000 2.567 333 H HA 0.109 4.665 4.556 -0.000 0.000 0.294 333 H C -0.471 174.584 175.328 -0.455 0.000 1.050 333 H CA 0.283 55.955 56.048 -0.627 0.000 1.168 333 H CB -0.361 29.026 29.762 -0.624 0.000 1.422 333 H HN 0.385 nan 8.280 nan 0.000 0.562 334 H N -1.428 117.592 119.070 -0.083 0.000 2.770 334 H HA -0.114 4.442 4.556 -0.000 0.000 0.309 334 H C -0.548 174.745 175.328 -0.058 0.000 1.206 334 H CA -0.093 55.911 56.048 -0.073 0.000 1.147 334 H CB -1.735 27.981 29.762 -0.076 0.000 1.422 334 H HN 0.043 nan 8.280 nan 0.000 0.420 335 V N 1.351 121.276 119.914 0.018 0.000 2.417 335 V HA 0.194 4.314 4.120 -0.000 0.000 0.291 335 V C 0.655 176.688 176.094 -0.102 0.000 1.024 335 V CA -1.053 61.193 62.300 -0.090 0.000 0.861 335 V CB 1.778 33.539 31.823 -0.103 0.000 0.985 335 V HN 0.146 nan 8.190 nan 0.000 0.436 336 K N 3.032 123.344 120.400 -0.147 0.000 2.448 336 K HA 0.285 4.604 4.320 -0.000 0.000 0.278 336 K C -0.512 176.028 176.600 -0.100 0.000 1.009 336 K CA -0.026 56.197 56.287 -0.107 0.000 0.995 336 K CB 1.273 33.707 32.500 -0.109 0.000 0.917 336 K HN 0.420 nan 8.250 nan 0.000 0.481 337 V N 2.860 122.733 119.914 -0.067 0.000 2.357 337 V HA 0.271 4.391 4.120 -0.000 0.000 0.284 337 V C -0.018 176.042 176.094 -0.057 0.000 1.018 337 V CA -0.530 61.735 62.300 -0.058 0.000 0.841 337 V CB 1.151 32.951 31.823 -0.038 0.000 0.991 337 V HN 0.753 nan 8.190 nan 0.000 0.437 338 E N 3.853 124.013 120.200 -0.067 0.000 2.307 338 E HA 0.479 4.829 4.350 -0.000 0.000 0.280 338 E C -1.944 174.605 176.600 -0.084 0.000 0.900 338 E CA -0.479 55.882 56.400 -0.065 0.000 0.790 338 E CB 2.314 31.976 29.700 -0.063 0.000 1.261 338 E HN 0.428 nan 8.360 nan 0.000 0.405 339 V N 6.821 126.681 119.914 -0.090 0.000 2.318 339 V HA 0.167 4.287 4.120 -0.000 0.000 0.271 339 V C 1.330 177.336 176.094 -0.148 0.000 1.030 339 V CA -0.267 61.942 62.300 -0.152 0.000 0.844 339 V CB 0.957 32.678 31.823 -0.170 0.000 1.015 339 V HN 0.837 nan 8.190 nan 0.000 0.460 340 L N 3.749 124.883 121.223 -0.149 0.000 2.056 340 L HA 0.283 4.623 4.340 -0.000 0.000 0.207 340 L C 1.230 178.037 176.870 -0.105 0.000 1.078 340 L CA 1.488 56.268 54.840 -0.101 0.000 0.749 340 L CB -0.214 41.800 42.059 -0.075 0.000 0.901 340 L HN 0.836 nan 8.230 nan 0.000 0.433 341 G N -2.669 106.002 108.800 -0.215 0.000 2.321 341 G HA2 0.312 4.272 3.960 -0.000 0.000 0.296 341 G HA3 0.312 4.272 3.960 -0.000 0.000 0.296 341 G C -2.181 172.485 174.900 -0.390 0.000 1.287 341 G CA -0.719 44.278 45.100 -0.171 0.000 0.846 341 G HN -0.195 nan 8.290 nan 0.000 0.508 342 Y N -0.490 119.803 120.300 -0.011 0.000 2.393 342 Y HA 0.581 5.131 4.550 -0.000 0.000 0.341 342 Y C 0.990 176.901 175.900 0.019 0.000 0.988 342 Y CA -0.780 57.278 58.100 -0.070 0.000 1.078 342 Y CB 2.140 40.424 38.460 -0.294 0.000 1.203 342 Y HN 0.424 nan 8.280 nan 0.000 0.453 343 V N 0.000 120.013 119.914 0.166 0.000 2.409 343 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 343 V CA 0.000 62.398 62.300 0.164 0.000 1.235 343 V CB 0.000 31.917 31.823 0.157 0.000 1.184 343 V HN 0.000 nan 8.190 nan 0.000 0.556