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 3lrb_1_B DATA FIRST_RESID 6 DATA SEQUENCE DAHKVGLIPV TLMVSGNIMG SGVFLLPANL ASTGGIAIYG WLVTIIGALG DATA SEQUENCE LSMVYAKMSF LDPSPGGSYA YARRCFGPFL GYQTNVLYWL ACWIGNIAMV DATA SEQUENCE VIGVGYLSYF FPILKDPLVL TITCVVVLWI FVLLNIVGPK MITRVQAVAT DATA SEQUENCE VLALIPIVGI AVFGWFWFRG ETYMAAWNVS GLGTFGAIQS TLNVTLWSFI DATA SEQUENCE GVESASVAAG VVKNPKRNVP IATIGGVLIA AVCYVLSTTA IMGMIPNXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXTAG AIVSFCAAAG CLGSLGGWTL LAGQTAKAAA DATA SEQUENCE DDGLFPPIFA RVNKAGTPVA GLIIVGILMT IFQLSSISPN ATKEFGLVSS DATA SEQUENCE VSVIFTLVPY LYTCAALLLL GHGHFGKARP AYLAVTTIAF LYCIWAVVGS DATA SEQUENCE GAKEVMWSFV TLMVITAMYA LNYNRLHKNP 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.323 176.300 0.038 0.000 2.045 6 D CA 0.000 54.020 54.000 0.033 0.000 0.868 6 D CB 0.000 40.822 40.800 0.036 0.000 0.688 7 A N -0.605 122.252 122.820 0.060 0.000 2.680 7 A HA 0.011 4.331 4.320 0.002 0.000 0.183 7 A C 0.480 178.114 177.584 0.083 0.000 1.506 7 A CA -0.078 51.993 52.037 0.058 0.000 1.119 7 A CB -0.112 18.919 19.000 0.052 0.000 1.424 7 A HN 0.543 nan 8.150 nan 0.000 0.540 8 H N 0.718 119.792 119.070 0.007 0.000 2.592 8 H HA 0.201 4.758 4.556 0.002 0.000 0.291 8 H C -0.246 175.087 175.328 0.009 0.000 1.052 8 H CA 0.424 56.477 56.048 0.009 0.000 1.175 8 H CB 0.296 30.063 29.762 0.009 0.000 1.378 8 H HN 0.116 nan 8.280 nan 0.000 0.576 9 K N 0.590 121.003 120.400 0.022 0.000 2.826 9 K HA 0.189 4.510 4.320 0.002 0.000 0.206 9 K C 0.451 177.042 176.600 -0.015 0.000 1.116 9 K CA -0.326 55.965 56.287 0.007 0.000 1.045 9 K CB 0.616 33.135 32.500 0.033 0.000 0.758 9 K HN 0.075 nan 8.250 nan 0.000 0.465 10 V N -1.092 118.798 119.914 -0.039 0.000 0.691 10 V HA -0.077 4.044 4.120 0.002 0.000 0.092 10 V C 0.418 176.501 176.094 -0.019 0.000 0.771 10 V CA -0.070 62.209 62.300 -0.036 0.000 3.097 10 V CB -1.589 30.215 31.823 -0.031 0.000 0.183 10 V HN 0.543 nan 8.190 nan 0.000 0.069 11 G N -2.135 106.657 108.800 -0.015 0.000 2.340 11 G HA2 0.620 4.581 3.960 0.002 0.000 0.298 11 G HA3 0.620 4.581 3.960 0.002 0.000 0.298 11 G C -0.614 174.282 174.900 -0.006 0.000 1.498 11 G CA -0.008 45.088 45.100 -0.007 0.000 0.847 11 G HN 1.846 nan 8.290 nan 0.000 0.594 12 L N 0.896 122.119 121.223 -0.000 0.000 1.991 12 L HA -0.091 4.250 4.340 0.002 0.000 0.221 12 L C 2.741 179.607 176.870 -0.006 0.000 1.079 12 L CA 2.491 57.331 54.840 0.001 0.000 0.778 12 L CB -0.631 41.432 42.059 0.007 0.000 0.893 12 L HN 0.666 nan 8.230 nan 0.000 0.437 13 I N -0.737 119.828 120.570 -0.007 0.000 2.315 13 I HA -0.180 3.991 4.170 0.002 0.000 0.248 13 I C -0.415 175.691 176.117 -0.018 0.000 1.117 13 I CA 1.009 62.303 61.300 -0.011 0.000 1.404 13 I CB -1.540 36.455 38.000 -0.009 0.000 1.071 13 I HN 0.311 nan 8.210 nan 0.000 0.419 14 P HA -0.047 nan 4.420 nan 0.000 0.225 14 P C 1.770 179.051 177.300 -0.032 0.000 1.156 14 P CA 0.864 63.948 63.100 -0.027 0.000 0.787 14 P CB 0.102 31.785 31.700 -0.028 0.000 0.802 15 V N -0.215 119.683 119.914 -0.027 0.000 2.379 15 V HA -0.166 3.955 4.120 0.002 0.000 0.243 15 V C 2.629 178.701 176.094 -0.036 0.000 1.035 15 V CA 2.404 64.685 62.300 -0.032 0.000 1.035 15 V CB -2.149 29.662 31.823 -0.021 0.000 0.673 15 V HN 0.238 nan 8.190 nan 0.000 0.457 16 T N -1.221 113.317 114.554 -0.026 0.000 2.881 16 T HA -0.144 4.207 4.350 0.002 0.000 0.270 16 T C 1.898 176.575 174.700 -0.039 0.000 1.068 16 T CA 1.403 63.487 62.100 -0.026 0.000 1.131 16 T CB -0.440 68.418 68.868 -0.016 0.000 0.871 16 T HN 0.340 nan 8.240 nan 0.000 0.479 17 L N -0.183 121.016 121.223 -0.041 0.000 2.093 17 L HA 0.095 4.436 4.340 0.002 0.000 0.208 17 L C 2.923 179.755 176.870 -0.063 0.000 1.085 17 L CA 1.695 56.504 54.840 -0.051 0.000 0.755 17 L CB -0.434 41.598 42.059 -0.044 0.000 0.904 17 L HN 0.375 nan 8.230 nan 0.000 0.435 18 M N -0.750 118.811 119.600 -0.066 0.000 2.175 18 M HA -0.169 4.312 4.480 0.002 0.000 0.264 18 M C 2.059 178.300 176.300 -0.099 0.000 1.063 18 M CA 1.599 56.847 55.300 -0.086 0.000 1.119 18 M CB 0.074 32.619 32.600 -0.093 0.000 1.377 18 M HN 0.027 nan 8.290 nan 0.000 0.415 19 V N -0.445 119.419 119.914 -0.083 0.000 2.358 19 V HA -0.220 3.901 4.120 0.002 0.000 0.246 19 V C 2.438 178.492 176.094 -0.066 0.000 1.047 19 V CA 2.063 64.316 62.300 -0.079 0.000 1.035 19 V CB -0.934 30.859 31.823 -0.051 0.000 0.658 19 V HN 0.607 nan 8.190 nan 0.000 0.452 20 S N 0.366 116.025 115.700 -0.068 0.000 2.402 20 S HA -0.071 4.400 4.470 0.002 0.000 0.229 20 S C 1.936 176.474 174.600 -0.103 0.000 1.021 20 S CA 1.373 59.519 58.200 -0.091 0.000 0.974 20 S CB -0.385 62.760 63.200 -0.093 0.000 0.800 20 S HN 0.662 nan 8.310 nan 0.000 0.484 21 G N 0.417 109.166 108.800 -0.086 0.000 2.623 21 G HA2 -0.003 3.958 3.960 0.002 0.000 0.214 21 G HA3 -0.003 3.958 3.960 0.002 0.000 0.214 21 G C 1.216 176.091 174.900 -0.042 0.000 1.138 21 G CA 0.299 45.350 45.100 -0.082 0.000 0.794 21 G HN 0.664 nan 8.290 nan 0.000 0.535 22 N N -0.135 118.564 118.700 -0.003 0.000 2.436 22 N HA 0.049 4.790 4.740 0.002 0.000 0.178 22 N C 1.703 177.324 175.510 0.183 0.000 1.026 22 N CA -0.060 53.095 53.050 0.176 0.000 0.880 22 N CB 0.132 38.681 38.487 0.103 0.000 1.061 22 N HN 0.081 nan 8.380 nan 0.000 0.434 23 I N 1.208 121.824 120.570 0.077 0.000 2.454 23 I HA -0.195 3.976 4.170 0.002 0.000 0.254 23 I C 2.296 178.370 176.117 -0.072 0.000 1.156 23 I CA 0.839 62.164 61.300 0.041 0.000 1.433 23 I CB -0.218 37.771 38.000 -0.019 0.000 1.082 23 I HN 0.183 nan 8.210 nan 0.000 0.432 24 M N -0.051 119.467 119.600 -0.136 0.000 2.399 24 M HA -0.121 4.360 4.480 0.002 0.000 0.263 24 M C 1.629 177.798 176.300 -0.218 0.000 1.067 24 M CA 2.428 57.570 55.300 -0.263 0.000 1.084 24 M CB -1.024 31.452 32.600 -0.206 0.000 1.252 24 M HN 0.318 nan 8.290 nan 0.000 0.454 25 G N -3.315 105.429 108.800 -0.092 0.000 3.468 25 G HA2 0.013 3.974 3.960 0.002 0.000 0.116 25 G HA3 0.013 3.974 3.960 0.002 0.000 0.116 25 G C 0.642 175.475 174.900 -0.112 0.000 1.119 25 G CA 0.505 45.546 45.100 -0.099 0.000 1.377 25 G HN 0.479 nan 8.290 nan 0.000 0.601 26 S N 0.802 116.438 115.700 -0.106 0.000 2.558 26 S HA 0.304 4.775 4.470 0.002 0.000 0.217 26 S C 1.964 176.523 174.600 -0.068 0.000 0.975 26 S CA 1.648 59.767 58.200 -0.135 0.000 0.912 26 S CB -0.054 63.045 63.200 -0.168 0.000 0.776 26 S HN 0.970 nan 8.310 nan 0.000 0.526 27 G N 0.684 109.467 108.800 -0.028 0.000 2.673 27 G HA2 0.109 4.070 3.960 0.002 0.000 0.208 27 G HA3 0.109 4.070 3.960 0.002 0.000 0.208 27 G C 1.266 176.238 174.900 0.120 0.000 1.128 27 G CA 0.614 45.725 45.100 0.017 0.000 0.805 27 G HN 0.396 nan 8.290 nan 0.000 0.526 28 V N 0.712 120.715 119.914 0.147 0.000 2.233 28 V HA -0.092 4.029 4.120 0.002 0.000 0.247 28 V C 1.779 177.981 176.094 0.179 0.000 1.050 28 V CA 1.001 63.414 62.300 0.188 0.000 1.010 28 V CB -0.704 31.190 31.823 0.118 0.000 0.637 28 V HN 0.271 nan 8.190 nan 0.000 0.444 29 F N 0.202 120.189 119.950 0.062 0.000 2.575 29 F HA 0.242 4.770 4.527 0.001 0.000 0.380 29 F C 0.984 176.893 175.800 0.182 0.000 1.153 29 F CA 0.683 58.764 58.000 0.136 0.000 1.360 29 F CB -0.318 38.805 39.000 0.204 0.000 1.722 29 F HN 0.014 nan 8.300 nan 0.000 0.647 30 L N -1.182 120.120 121.223 0.132 0.000 3.760 30 L HA -0.047 4.294 4.340 0.002 0.000 0.405 30 L C 1.556 178.486 176.870 0.099 0.000 0.943 30 L CA 0.093 55.007 54.840 0.123 0.000 1.739 30 L CB -0.320 41.830 42.059 0.151 0.000 2.459 30 L HN 0.084 nan 8.230 nan 0.000 0.586 31 L N 1.181 122.472 121.223 0.114 0.000 1.961 31 L HA -0.124 4.217 4.340 0.002 0.000 0.210 31 L C -0.508 176.440 176.870 0.130 0.000 1.072 31 L CA 1.966 56.897 54.840 0.151 0.000 0.749 31 L CB -1.277 40.924 42.059 0.237 0.000 0.889 31 L HN 0.142 nan 8.230 nan 0.000 0.432 32 P HA -0.249 nan 4.420 nan 0.000 0.215 32 P C 1.377 178.709 177.300 0.054 0.000 1.163 32 P CA 2.166 65.309 63.100 0.072 0.000 0.894 32 P CB -0.077 31.628 31.700 0.008 0.000 0.791 33 A N -0.853 121.985 122.820 0.031 0.000 1.972 33 A HA -0.220 4.101 4.320 0.002 0.000 0.219 33 A C 2.050 179.672 177.584 0.063 0.000 1.169 33 A CA 1.838 53.897 52.037 0.036 0.000 0.635 33 A CB -1.434 17.579 19.000 0.022 0.000 0.810 33 A HN 0.139 nan 8.150 nan 0.000 0.446 34 N N -0.097 118.658 118.700 0.092 0.000 2.289 34 N HA -0.084 4.657 4.740 0.002 0.000 0.184 34 N C 0.871 176.429 175.510 0.079 0.000 1.016 34 N CA 1.425 54.545 53.050 0.117 0.000 0.872 34 N CB -0.301 38.291 38.487 0.176 0.000 0.973 34 N HN 0.602 nan 8.380 nan 0.000 0.433 35 L N -3.513 117.751 121.223 0.068 0.000 3.062 35 L HA 0.668 5.009 4.340 0.002 0.000 0.255 35 L C 0.960 177.857 176.870 0.045 0.000 1.274 35 L CA -0.314 54.555 54.840 0.047 0.000 1.047 35 L CB 0.521 42.609 42.059 0.048 0.000 1.402 35 L HN -0.172 nan 8.230 nan 0.000 0.550 36 A N 0.026 122.871 122.820 0.042 0.000 2.026 36 A HA 0.120 4.441 4.320 0.002 0.000 0.198 36 A C 2.234 179.835 177.584 0.029 0.000 1.390 36 A CA 0.799 52.858 52.037 0.036 0.000 0.915 36 A CB -0.300 18.720 19.000 0.033 0.000 0.974 36 A HN 0.427 nan 8.150 nan 0.000 0.477 37 S N 0.891 116.607 115.700 0.026 0.000 2.423 37 S HA -0.087 4.384 4.470 0.002 0.000 0.231 37 S C 1.491 176.098 174.600 0.011 0.000 1.014 37 S CA 1.518 59.728 58.200 0.018 0.000 0.965 37 S CB -1.292 61.917 63.200 0.016 0.000 0.785 37 S HN 0.782 nan 8.310 nan 0.000 0.495 38 T N -1.805 112.756 114.554 0.012 0.000 3.051 38 T HA 0.570 4.921 4.350 0.002 0.000 0.356 38 T C 1.460 176.168 174.700 0.014 0.000 1.204 38 T CA 0.215 62.319 62.100 0.006 0.000 0.990 38 T CB -0.218 68.649 68.868 -0.002 0.000 1.628 38 T HN 1.278 nan 8.240 nan 0.000 0.550 39 G N -1.129 107.678 108.800 0.012 0.000 2.184 39 G HA2 0.073 4.034 3.960 0.002 0.000 0.206 39 G HA3 0.073 4.034 3.960 0.002 0.000 0.206 39 G C 0.385 175.281 174.900 -0.007 0.000 0.995 39 G CA 0.029 45.128 45.100 -0.001 0.000 0.651 39 G HN 1.181 nan 8.290 nan 0.000 0.511 40 G N -0.145 108.661 108.800 0.009 0.000 2.403 40 G HA2 0.593 4.554 3.960 0.002 0.000 0.259 40 G HA3 0.593 4.554 3.960 0.002 0.000 0.259 40 G C 0.763 175.659 174.900 -0.007 0.000 1.244 40 G CA 0.192 45.303 45.100 0.017 0.000 0.849 40 G HN 1.736 nan 8.290 nan 0.000 0.532 41 I N 0.545 121.107 120.570 -0.013 0.000 7.450 41 I HA -0.219 3.952 4.170 0.002 0.000 0.126 41 I C 0.989 176.991 176.117 -0.193 0.000 1.700 41 I CA 0.837 62.095 61.300 -0.071 0.000 2.278 41 I CB -0.495 37.484 38.000 -0.035 0.000 3.393 41 I HN 2.314 nan 8.210 nan 0.000 0.236 42 A N 3.996 126.634 122.820 -0.304 0.000 2.739 42 A HA -0.243 4.078 4.320 0.002 0.000 0.296 42 A C 0.864 178.366 177.584 -0.137 0.000 1.488 42 A CA 1.274 53.162 52.037 -0.247 0.000 0.746 42 A CB -2.119 16.808 19.000 -0.121 0.000 1.047 42 A HN 0.872 nan 8.150 nan 0.000 0.477 43 I N -1.456 119.007 120.570 -0.178 0.000 3.030 43 I HA -0.102 4.069 4.170 0.002 0.000 0.270 43 I C 2.079 178.306 176.117 0.183 0.000 1.211 43 I CA 0.461 61.812 61.300 0.084 0.000 1.479 43 I CB -0.310 37.715 38.000 0.042 0.000 1.105 43 I HN 0.596 nan 8.210 nan 0.000 0.447 44 Y N 1.617 121.936 120.300 0.032 0.000 2.069 44 Y HA -0.230 4.321 4.550 0.001 0.000 0.278 44 Y C 2.735 178.639 175.900 0.007 0.000 1.175 44 Y CA 0.912 59.016 58.100 0.006 0.000 1.134 44 Y CB -1.864 36.569 38.460 -0.045 0.000 0.965 44 Y HN 0.171 nan 8.280 nan 0.000 0.498 45 G N -0.846 108.014 108.800 0.100 0.000 2.606 45 G HA2 -0.329 3.632 3.960 0.002 0.000 0.221 45 G HA3 -0.329 3.632 3.960 0.002 0.000 0.221 45 G C 1.522 176.376 174.900 -0.076 0.000 1.152 45 G CA 1.331 46.393 45.100 -0.063 0.000 0.765 45 G HN 0.555 nan 8.290 nan 0.000 0.595 46 W N -0.210 121.122 121.300 0.053 0.000 2.381 46 W HA 0.122 4.783 4.660 0.002 0.000 0.301 46 W C 2.505 179.066 176.519 0.070 0.000 1.205 46 W CA 0.076 57.458 57.345 0.062 0.000 1.285 46 W CB -0.299 29.195 29.460 0.056 0.000 1.133 46 W HN 0.051 nan 8.180 nan 0.000 0.521 47 L N 0.177 121.578 121.223 0.296 0.000 2.012 47 L HA -0.201 4.140 4.340 0.002 0.000 0.210 47 L C 2.020 178.954 176.870 0.105 0.000 1.073 47 L CA 1.769 56.717 54.840 0.180 0.000 0.748 47 L CB -1.289 40.851 42.059 0.135 0.000 0.891 47 L HN -0.103 nan 8.230 nan 0.000 0.431 48 V N -0.429 119.521 119.914 0.060 0.000 2.214 48 V HA -0.357 3.764 4.120 0.002 0.000 0.247 48 V C 2.705 178.813 176.094 0.024 0.000 1.051 48 V CA 2.489 64.787 62.300 -0.003 0.000 1.003 48 V CB -1.072 30.715 31.823 -0.060 0.000 0.635 48 V HN 0.539 nan 8.190 nan 0.000 0.447 49 T N -0.466 114.105 114.554 0.027 0.000 2.699 49 T HA -0.197 4.154 4.350 0.002 0.000 0.268 49 T C 1.721 176.450 174.700 0.047 0.000 1.036 49 T CA 2.028 64.153 62.100 0.042 0.000 1.147 49 T CB -0.383 68.485 68.868 0.001 0.000 0.862 49 T HN 0.380 nan 8.240 nan 0.000 0.446 50 I N 0.273 120.920 120.570 0.130 0.000 2.315 50 I HA -0.102 4.069 4.170 0.002 0.000 0.248 50 I C 2.363 178.483 176.117 0.005 0.000 1.117 50 I CA 1.088 62.440 61.300 0.087 0.000 1.404 50 I CB -0.390 37.763 38.000 0.254 0.000 1.071 50 I HN 0.325 nan 8.210 nan 0.000 0.419 51 I N 0.905 121.496 120.570 0.035 0.000 2.127 51 I HA -0.246 3.925 4.170 0.002 0.000 0.241 51 I C 2.729 178.845 176.117 -0.001 0.000 1.075 51 I CA 1.855 63.164 61.300 0.015 0.000 1.334 51 I CB -0.970 37.040 38.000 0.015 0.000 1.040 51 I HN 0.263 nan 8.210 nan 0.000 0.405 52 G N 0.404 109.240 108.800 0.060 0.000 2.459 52 G HA2 -0.271 3.690 3.960 0.002 0.000 0.217 52 G HA3 -0.271 3.690 3.960 0.002 0.000 0.217 52 G C 1.828 176.630 174.900 -0.163 0.000 1.183 52 G CA 0.934 46.143 45.100 0.181 0.000 0.776 52 G HN 0.511 nan 8.290 nan 0.000 0.552 53 A N 0.019 122.606 122.820 -0.388 0.000 1.930 53 A HA 0.125 4.446 4.320 0.002 0.000 0.217 53 A C 2.373 179.702 177.584 -0.426 0.000 1.175 53 A CA 1.490 53.034 52.037 -0.820 0.000 0.627 53 A CB -0.404 17.810 19.000 -1.309 0.000 0.815 53 A HN 0.339 nan 8.150 nan 0.000 0.443 54 L N 0.007 121.086 121.223 -0.240 0.000 2.042 54 L HA -0.100 4.241 4.340 0.002 0.000 0.210 54 L C 2.558 179.383 176.870 -0.073 0.000 1.076 54 L CA 2.072 56.861 54.840 -0.085 0.000 0.749 54 L CB -0.858 41.189 42.059 -0.020 0.000 0.893 54 L HN 0.367 nan 8.230 nan 0.000 0.432 55 G N -1.148 107.600 108.800 -0.088 0.000 2.418 55 G HA2 -0.239 3.722 3.960 0.002 0.000 0.217 55 G HA3 -0.239 3.722 3.960 0.002 0.000 0.217 55 G C 1.661 176.514 174.900 -0.077 0.000 1.158 55 G CA 0.772 45.840 45.100 -0.052 0.000 0.771 55 G HN 0.357 nan 8.290 nan 0.000 0.545 56 L N 1.273 122.387 121.223 -0.183 0.000 2.046 56 L HA -0.114 4.227 4.340 0.002 0.000 0.208 56 L C 3.301 180.171 176.870 0.001 0.000 1.077 56 L CA 1.853 56.598 54.840 -0.157 0.000 0.747 56 L CB -0.361 41.434 42.059 -0.440 0.000 0.896 56 L HN 0.490 nan 8.230 nan 0.000 0.432 57 S N -0.495 115.179 115.700 -0.044 0.000 2.382 57 S HA -0.259 4.212 4.470 0.002 0.000 0.228 57 S C 1.956 176.596 174.600 0.067 0.000 1.027 57 S CA 1.282 59.502 58.200 0.035 0.000 0.991 57 S CB -0.270 62.947 63.200 0.028 0.000 0.823 57 S HN 0.381 nan 8.310 nan 0.000 0.469 58 M N 0.606 120.222 119.600 0.027 0.000 2.156 58 M HA -0.014 4.467 4.480 0.002 0.000 0.264 58 M C 2.294 178.588 176.300 -0.010 0.000 1.067 58 M CA 1.262 56.573 55.300 0.019 0.000 1.131 58 M CB -0.473 32.140 32.600 0.022 0.000 1.368 58 M HN 0.255 nan 8.290 nan 0.000 0.416 59 V N -0.434 119.467 119.914 -0.023 0.000 2.252 59 V HA -0.333 3.788 4.120 0.002 0.000 0.249 59 V C 2.018 178.027 176.094 -0.141 0.000 1.056 59 V CA 2.118 64.352 62.300 -0.110 0.000 1.022 59 V CB -0.850 30.900 31.823 -0.121 0.000 0.641 59 V HN 0.383 nan 8.190 nan 0.000 0.445 60 Y N 0.266 120.516 120.300 -0.083 0.000 2.145 60 Y HA -0.177 4.374 4.550 0.001 0.000 0.286 60 Y C 2.523 178.393 175.900 -0.050 0.000 1.145 60 Y CA 1.597 59.662 58.100 -0.059 0.000 1.148 60 Y CB -0.804 37.674 38.460 0.029 0.000 0.981 60 Y HN 0.192 nan 8.280 nan 0.000 0.507 61 A N -0.382 122.517 122.820 0.132 0.000 1.997 61 A HA -0.258 4.063 4.320 0.002 0.000 0.221 61 A C 1.861 179.474 177.584 0.047 0.000 1.172 61 A CA 2.255 54.340 52.037 0.081 0.000 0.645 61 A CB -0.403 18.625 19.000 0.046 0.000 0.813 61 A HN 0.276 nan 8.150 nan 0.000 0.454 62 K N -2.504 117.876 120.400 -0.034 0.000 2.374 62 K HA 0.351 4.672 4.320 0.002 0.000 0.202 62 K C 1.209 177.738 176.600 -0.118 0.000 1.040 62 K CA 0.245 56.495 56.287 -0.062 0.000 1.085 62 K CB 0.486 32.866 32.500 -0.199 0.000 0.873 62 K HN 0.425 nan 8.250 nan 0.000 0.539 63 M N -0.123 119.353 119.600 -0.207 0.000 2.447 63 M HA 0.043 4.524 4.480 0.002 0.000 0.266 63 M C 1.433 177.571 176.300 -0.269 0.000 1.120 63 M CA 1.281 56.345 55.300 -0.393 0.000 1.166 63 M CB -0.109 32.031 32.600 -0.768 0.000 1.349 63 M HN 0.052 nan 8.290 nan 0.000 0.463 64 S N -0.548 115.109 115.700 -0.072 0.000 2.428 64 S HA -0.107 4.364 4.470 0.002 0.000 0.230 64 S C 1.884 176.532 174.600 0.080 0.000 1.014 64 S CA 0.715 58.974 58.200 0.098 0.000 0.957 64 S CB -1.361 61.949 63.200 0.184 0.000 0.784 64 S HN 0.553 nan 8.310 nan 0.000 0.499 65 F N 2.049 121.969 119.950 -0.050 0.000 2.546 65 F HA 0.210 4.738 4.527 0.002 0.000 0.298 65 F C 1.417 177.177 175.800 -0.067 0.000 1.120 65 F CA 0.620 58.594 58.000 -0.044 0.000 1.456 65 F CB -0.107 38.870 39.000 -0.039 0.000 1.088 65 F HN 0.144 nan 8.300 nan 0.000 0.572 66 L N -1.166 119.990 121.223 -0.113 0.000 2.276 66 L HA 0.111 4.452 4.340 0.002 0.000 0.194 66 L C 0.250 177.014 176.870 -0.177 0.000 1.099 66 L CA 0.454 55.171 54.840 -0.206 0.000 0.800 66 L CB -0.225 41.762 42.059 -0.120 0.000 0.994 66 L HN -0.128 nan 8.230 nan 0.000 0.475 67 D N 1.121 121.484 120.400 -0.062 0.000 2.421 67 D HA 0.268 4.909 4.640 0.002 0.000 0.254 67 D C -2.746 173.639 176.300 0.140 0.000 1.238 67 D CA -1.445 52.565 54.000 0.016 0.000 0.919 67 D CB 2.410 43.243 40.800 0.055 0.000 1.152 67 D HN -0.027 nan 8.370 nan 0.000 0.552 68 P HA 0.316 nan 4.420 nan 0.000 0.215 68 P C -0.578 176.746 177.300 0.039 0.000 1.728 68 P CA -0.386 62.772 63.100 0.096 0.000 1.337 68 P CB 1.382 33.123 31.700 0.069 0.000 1.415 69 S N 2.436 118.149 115.700 0.022 0.000 4.696 69 S HA 0.368 4.839 4.470 0.002 0.000 0.185 69 S C -2.579 172.002 174.600 -0.032 0.000 1.139 69 S CA -0.137 58.063 58.200 -0.000 0.000 1.227 69 S CB -1.219 61.945 63.200 -0.060 0.000 1.682 69 S HN 0.258 nan 8.310 nan 0.000 0.551 70 P HA 0.796 nan 4.420 nan 0.000 0.304 70 P C 0.250 177.551 177.300 0.001 0.000 1.365 70 P CA 0.070 63.168 63.100 -0.004 0.000 0.935 70 P CB 1.791 33.499 31.700 0.013 0.000 1.091 71 G N 1.255 110.047 108.800 -0.014 0.000 4.329 71 G HA2 0.218 4.179 3.960 0.002 0.000 0.132 71 G HA3 0.218 4.179 3.960 0.002 0.000 0.132 71 G C 0.467 175.377 174.900 0.016 0.000 1.654 71 G CA 0.505 45.607 45.100 0.004 0.000 0.966 71 G HN 0.707 nan 8.290 nan 0.000 0.310 72 G N -0.083 108.701 108.800 -0.027 0.000 3.229 72 G HA2 0.393 4.354 3.960 0.002 0.000 0.165 72 G HA3 0.393 4.354 3.960 0.002 0.000 0.165 72 G C 1.260 175.955 174.900 -0.342 0.000 1.753 72 G CA 1.882 46.794 45.100 -0.314 0.000 1.054 72 G HN 1.729 nan 8.290 nan 0.000 0.544 73 S N -2.807 112.590 115.700 -0.505 0.000 3.002 73 S HA -0.333 4.138 4.470 0.002 0.000 0.289 73 S C 0.954 175.498 174.600 -0.093 0.000 1.309 73 S CA 2.402 60.589 58.200 -0.022 0.000 1.195 73 S CB -1.214 62.007 63.200 0.036 0.000 1.433 73 S HN 1.260 nan 8.310 nan 0.000 0.711 74 Y N -0.626 119.445 120.300 -0.382 0.000 2.652 74 Y HA 0.638 5.189 4.550 0.001 0.000 0.274 74 Y C 1.965 177.701 175.900 -0.273 0.000 1.148 74 Y CA 0.925 58.882 58.100 -0.239 0.000 1.219 74 Y CB -0.661 37.704 38.460 -0.157 0.000 1.337 74 Y HN 0.240 nan 8.280 nan 0.000 0.490 75 A N 0.892 123.375 122.820 -0.562 0.000 1.883 75 A HA -0.210 4.111 4.320 0.002 0.000 0.217 75 A C 1.927 179.302 177.584 -0.348 0.000 1.186 75 A CA 2.229 53.966 52.037 -0.499 0.000 0.624 75 A CB -1.644 17.139 19.000 -0.361 0.000 0.822 75 A HN 0.717 nan 8.150 nan 0.000 0.444 76 Y N -0.392 119.799 120.300 -0.181 0.000 2.081 76 Y HA -0.193 4.358 4.550 0.002 0.000 0.280 76 Y C 2.895 178.684 175.900 -0.185 0.000 1.163 76 Y CA 0.560 58.565 58.100 -0.158 0.000 1.135 76 Y CB -0.539 37.831 38.460 -0.152 0.000 0.970 76 Y HN 0.333 nan 8.280 nan 0.000 0.498 77 A N 0.332 123.098 122.820 -0.090 0.000 2.121 77 A HA -0.147 4.174 4.320 0.002 0.000 0.218 77 A C 2.081 179.476 177.584 -0.314 0.000 1.154 77 A CA 0.930 52.857 52.037 -0.183 0.000 0.679 77 A CB -0.640 18.284 19.000 -0.126 0.000 0.795 77 A HN 0.426 nan 8.150 nan 0.000 0.458 78 R N -0.770 119.467 120.500 -0.439 0.000 2.313 78 R HA 0.103 4.444 4.340 0.002 0.000 0.199 78 R C 0.728 176.927 176.300 -0.168 0.000 0.958 78 R CA 0.431 56.275 56.100 -0.427 0.000 1.047 78 R CB -0.004 29.934 30.300 -0.603 0.000 0.955 78 R HN 0.463 nan 8.270 nan 0.000 0.481 79 R N -2.126 118.315 120.500 -0.098 0.000 2.566 79 R HA 0.115 4.456 4.340 0.002 0.000 0.388 79 R C 0.685 176.979 176.300 -0.009 0.000 0.989 79 R CA -0.169 55.922 56.100 -0.015 0.000 1.164 79 R CB 0.499 30.811 30.300 0.020 0.000 1.459 79 R HN 0.054 nan 8.270 nan 0.000 0.553 80 C N 0.247 119.520 119.300 -0.045 0.000 2.688 80 C HA 0.421 4.882 4.460 0.002 0.000 0.297 80 C C 0.764 175.731 174.990 -0.037 0.000 1.308 80 C CA -0.226 58.754 59.018 -0.064 0.000 1.726 80 C CB -1.243 26.431 27.740 -0.111 0.000 1.982 80 C HN 0.613 nan 8.230 nan 0.000 0.604 81 F N -0.852 118.991 119.950 -0.178 0.000 1.855 81 F HA 0.385 4.913 4.527 0.001 0.000 0.229 81 F C 1.830 177.559 175.800 -0.118 0.000 1.260 81 F CA 0.723 58.632 58.000 -0.150 0.000 1.277 81 F CB -0.154 38.733 39.000 -0.187 0.000 1.975 81 F HN -0.060 nan 8.300 nan 0.000 0.155 82 G N -0.009 109.041 108.800 0.417 0.000 2.848 82 G HA2 0.224 4.185 3.960 0.002 0.000 0.213 82 G HA3 0.224 4.185 3.960 0.002 0.000 0.213 82 G C -1.959 172.600 174.900 -0.568 0.000 1.101 82 G CA -0.110 44.980 45.100 -0.016 0.000 0.778 82 G HN 0.162 nan 8.290 nan 0.000 0.536 83 P HA -0.228 nan 4.420 nan 0.000 0.218 83 P C 1.453 177.856 177.300 -1.496 0.000 1.073 83 P CA 0.355 62.701 63.100 -1.257 0.000 0.944 83 P CB -0.194 31.088 31.700 -0.696 0.000 0.572 84 F N -0.348 118.794 119.950 -1.346 0.000 2.068 84 F HA -0.326 4.202 4.527 0.002 0.000 0.289 84 F C 2.180 177.585 175.800 -0.658 0.000 1.089 84 F CA 1.849 59.352 58.000 -0.828 0.000 1.263 84 F CB -1.148 37.520 39.000 -0.553 0.000 0.955 84 F HN -0.090 nan 8.300 nan 0.000 0.501 85 L N -0.335 120.479 121.223 -0.682 0.000 2.083 85 L HA -0.183 4.158 4.340 0.002 0.000 0.209 85 L C 2.745 179.332 176.870 -0.473 0.000 1.083 85 L CA 1.390 55.938 54.840 -0.487 0.000 0.752 85 L CB -1.469 40.453 42.059 -0.228 0.000 0.899 85 L HN 0.477 nan 8.230 nan 0.000 0.433 86 G N -1.165 107.304 108.800 -0.552 0.000 2.395 86 G HA2 -0.246 3.715 3.960 0.002 0.000 0.214 86 G HA3 -0.246 3.715 3.960 0.002 0.000 0.214 86 G C 1.220 176.162 174.900 0.071 0.000 1.177 86 G CA 0.249 45.158 45.100 -0.318 0.000 0.794 86 G HN 0.228 nan 8.290 nan 0.000 0.532 87 Y N 0.943 121.242 120.300 -0.001 0.000 2.274 87 Y HA -0.110 4.441 4.550 0.002 0.000 0.290 87 Y C 2.841 178.631 175.900 -0.182 0.000 1.145 87 Y CA 0.929 58.988 58.100 -0.068 0.000 1.203 87 Y CB -0.739 37.799 38.460 0.131 0.000 0.984 87 Y HN 0.373 nan 8.280 nan 0.000 0.533 88 Q N -0.395 119.253 119.800 -0.253 0.000 2.187 88 Q HA -0.148 4.193 4.340 0.002 0.000 0.199 88 Q C 2.183 178.120 176.000 -0.104 0.000 0.957 88 Q CA 1.629 57.264 55.803 -0.281 0.000 0.857 88 Q CB -0.258 28.120 28.738 -0.601 0.000 0.929 88 Q HN 0.404 nan 8.270 nan 0.000 0.453 89 T N 0.540 115.086 114.554 -0.013 0.000 2.788 89 T HA -0.167 4.184 4.350 0.002 0.000 0.268 89 T C 1.520 176.273 174.700 0.088 0.000 1.044 89 T CA 1.778 63.950 62.100 0.121 0.000 1.139 89 T CB -0.214 68.790 68.868 0.227 0.000 0.867 89 T HN 0.517 nan 8.240 nan 0.000 0.454 90 N N 0.136 118.853 118.700 0.028 0.000 2.124 90 N HA -0.047 4.694 4.740 0.002 0.000 0.189 90 N C 1.903 177.382 175.510 -0.052 0.000 1.050 90 N CA 1.879 54.886 53.050 -0.071 0.000 0.848 90 N CB -0.826 37.392 38.487 -0.448 0.000 1.027 90 N HN 0.168 nan 8.380 nan 0.000 0.435 91 V N 1.102 120.870 119.914 -0.243 0.000 2.265 91 V HA -0.304 3.817 4.120 0.002 0.000 0.259 91 V C 2.416 178.539 176.094 0.048 0.000 1.084 91 V CA 2.275 64.523 62.300 -0.086 0.000 1.076 91 V CB -0.888 30.875 31.823 -0.100 0.000 0.680 91 V HN 0.543 nan 8.190 nan 0.000 0.452 92 L N -1.978 119.201 121.223 -0.073 0.000 2.362 92 L HA -0.134 4.207 4.340 0.002 0.000 0.219 92 L C 2.118 178.962 176.870 -0.044 0.000 1.134 92 L CA 1.458 56.151 54.840 -0.244 0.000 0.807 92 L CB -0.274 41.657 42.059 -0.214 0.000 0.927 92 L HN 0.474 nan 8.230 nan 0.000 0.447 93 Y N -0.783 119.510 120.300 -0.013 0.000 2.197 93 Y HA -0.160 4.391 4.550 0.001 0.000 0.281 93 Y C 2.148 178.140 175.900 0.153 0.000 1.099 93 Y CA 1.169 59.312 58.100 0.072 0.000 1.092 93 Y CB -1.324 37.180 38.460 0.073 0.000 1.028 93 Y HN 0.329 nan 8.280 nan 0.000 0.489 94 W N 1.435 122.691 121.300 -0.074 0.000 2.257 94 W HA -0.331 4.330 4.660 0.001 0.000 0.325 94 W C 1.719 178.235 176.519 -0.005 0.000 1.296 94 W CA 2.601 59.902 57.345 -0.074 0.000 1.297 94 W CB -0.870 28.654 29.460 0.106 0.000 1.131 94 W HN 0.186 nan 8.180 nan 0.000 0.492 95 L N 0.574 121.864 121.223 0.112 0.000 2.885 95 L HA 0.045 4.386 4.340 0.002 0.000 0.258 95 L C 1.298 177.829 176.870 -0.564 0.000 1.146 95 L CA 1.031 55.660 54.840 -0.351 0.000 0.922 95 L CB -0.721 41.224 42.059 -0.190 0.000 1.138 95 L HN 0.293 nan 8.230 nan 0.000 0.431 96 A N -3.374 119.201 122.820 -0.408 0.000 2.577 96 A HA 0.082 4.403 4.320 0.002 0.000 0.195 96 A C 1.366 178.817 177.584 -0.222 0.000 1.407 96 A CA 0.167 52.073 52.037 -0.219 0.000 1.056 96 A CB -0.633 18.433 19.000 0.110 0.000 1.165 96 A HN 0.446 nan 8.150 nan 0.000 0.472 97 C N -1.543 117.619 119.300 -0.229 0.000 2.568 97 C HA 0.117 4.577 4.460 0.002 0.000 0.284 97 C C 2.219 177.130 174.990 -0.131 0.000 1.338 97 C CA 0.667 59.660 59.018 -0.041 0.000 1.724 97 C CB -1.675 26.143 27.740 0.130 0.000 2.131 97 C HN 0.909 nan 8.230 nan 0.000 0.513 98 W N 2.814 123.886 121.300 -0.381 0.000 2.311 98 W HA -0.151 4.510 4.660 0.001 0.000 0.326 98 W C 1.928 178.272 176.519 -0.292 0.000 1.239 98 W CA 1.201 58.306 57.345 -0.399 0.000 1.258 98 W CB -1.307 27.749 29.460 -0.672 0.000 1.165 98 W HN 0.263 nan 8.180 nan 0.000 0.466 99 I N 1.614 121.548 120.570 -1.061 0.000 2.236 99 I HA -0.297 3.874 4.170 0.002 0.000 0.249 99 I C 2.616 178.546 176.117 -0.311 0.000 1.102 99 I CA 1.936 62.771 61.300 -0.774 0.000 1.365 99 I CB -1.295 36.190 38.000 -0.858 0.000 1.051 99 I HN 0.360 nan 8.210 nan 0.000 0.420 100 G N 0.715 109.305 108.800 -0.350 0.000 2.446 100 G HA2 -0.287 3.673 3.960 0.002 0.000 0.217 100 G HA3 -0.287 3.673 3.960 0.002 0.000 0.217 100 G C 1.316 176.048 174.900 -0.279 0.000 1.168 100 G CA 0.988 45.870 45.100 -0.364 0.000 0.771 100 G HN 0.336 nan 8.290 nan 0.000 0.551 101 N N 1.072 119.638 118.700 -0.223 0.000 2.011 101 N HA -0.153 4.588 4.740 0.002 0.000 0.199 101 N C 2.152 177.626 175.510 -0.060 0.000 1.047 101 N CA 1.369 54.337 53.050 -0.137 0.000 0.863 101 N CB -0.654 37.793 38.487 -0.066 0.000 1.056 101 N HN 0.391 nan 8.380 nan 0.000 0.427 102 I N 0.597 121.183 120.570 0.027 0.000 2.191 102 I HA -0.358 3.813 4.170 0.002 0.000 0.248 102 I C 1.926 178.052 176.117 0.015 0.000 1.061 102 I CA 1.815 63.159 61.300 0.074 0.000 1.329 102 I CB -0.300 37.857 38.000 0.262 0.000 1.024 102 I HN 0.201 nan 8.210 nan 0.000 0.423 103 A N -0.935 121.886 122.820 0.002 0.000 2.195 103 A HA 0.035 4.356 4.320 0.002 0.000 0.210 103 A C 2.227 179.774 177.584 -0.063 0.000 1.165 103 A CA 0.224 52.247 52.037 -0.024 0.000 0.806 103 A CB -0.192 18.803 19.000 -0.009 0.000 0.847 103 A HN 0.297 nan 8.150 nan 0.000 0.482 104 M N 0.481 120.019 119.600 -0.104 0.000 2.081 104 M HA -0.104 4.377 4.480 0.002 0.000 0.261 104 M C 2.200 178.463 176.300 -0.062 0.000 1.075 104 M CA 2.151 57.377 55.300 -0.123 0.000 1.133 104 M CB -0.591 31.887 32.600 -0.204 0.000 1.330 104 M HN 0.378 nan 8.290 nan 0.000 0.414 105 V N -1.544 118.345 119.914 -0.042 0.000 2.255 105 V HA -0.210 3.911 4.120 0.002 0.000 0.247 105 V C 2.390 178.496 176.094 0.020 0.000 1.051 105 V CA 1.830 64.129 62.300 -0.001 0.000 1.018 105 V CB -1.897 29.939 31.823 0.020 0.000 0.641 105 V HN 0.293 nan 8.190 nan 0.000 0.445 106 V N -0.112 119.806 119.914 0.008 0.000 2.511 106 V HA -0.299 3.822 4.120 0.002 0.000 0.257 106 V C 2.330 178.447 176.094 0.039 0.000 1.088 106 V CA 2.534 64.841 62.300 0.012 0.000 1.098 106 V CB -0.679 31.139 31.823 -0.009 0.000 0.674 106 V HN 0.522 nan 8.190 nan 0.000 0.470 107 I N -0.366 120.241 120.570 0.062 0.000 2.556 107 I HA 0.011 4.182 4.170 0.002 0.000 0.251 107 I C 2.479 178.770 176.117 0.289 0.000 1.105 107 I CA 1.294 62.681 61.300 0.146 0.000 1.436 107 I CB -0.643 37.458 38.000 0.169 0.000 1.139 107 I HN 0.406 nan 8.210 nan 0.000 0.438 108 G N 0.398 109.297 108.800 0.166 0.000 2.448 108 G HA2 -0.160 3.801 3.960 0.002 0.000 0.219 108 G HA3 -0.160 3.801 3.960 0.002 0.000 0.219 108 G C 1.625 176.605 174.900 0.133 0.000 1.127 108 G CA 0.664 45.831 45.100 0.112 0.000 0.766 108 G HN 0.257 nan 8.290 nan 0.000 0.552 109 V N 1.250 121.226 119.914 0.103 0.000 2.453 109 V HA 0.012 4.133 4.120 0.002 0.000 0.247 109 V C 3.022 179.171 176.094 0.092 0.000 1.048 109 V CA 1.671 64.021 62.300 0.083 0.000 1.049 109 V CB -0.775 31.081 31.823 0.056 0.000 0.672 109 V HN 0.410 nan 8.190 nan 0.000 0.457 110 G N -1.728 107.126 108.800 0.090 0.000 2.559 110 G HA2 -0.223 3.738 3.960 0.002 0.000 0.216 110 G HA3 -0.223 3.738 3.960 0.002 0.000 0.216 110 G C 1.228 176.102 174.900 -0.043 0.000 1.126 110 G CA 0.316 45.433 45.100 0.028 0.000 0.778 110 G HN 0.559 nan 8.290 nan 0.000 0.543 111 Y N -0.397 119.885 120.300 -0.031 0.000 2.544 111 Y HA 0.313 4.864 4.550 0.002 0.000 0.286 111 Y C 2.145 177.986 175.900 -0.098 0.000 1.141 111 Y CA 0.329 58.371 58.100 -0.097 0.000 1.299 111 Y CB 0.381 38.725 38.460 -0.193 0.000 1.030 111 Y HN 0.104 nan 8.280 nan 0.000 0.543 112 L N -1.768 119.519 121.223 0.106 0.000 2.728 112 L HA 0.080 4.420 4.340 0.002 0.000 0.238 112 L C 2.128 179.094 176.870 0.160 0.000 1.143 112 L CA 0.111 55.024 54.840 0.122 0.000 0.937 112 L CB -0.048 42.087 42.059 0.127 0.000 1.225 112 L HN 0.064 nan 8.230 nan 0.000 0.507 113 S N -0.058 115.721 115.700 0.131 0.000 2.393 113 S HA -0.206 4.265 4.470 0.002 0.000 0.234 113 S C 0.772 175.455 174.600 0.138 0.000 1.064 113 S CA 1.780 60.054 58.200 0.123 0.000 1.088 113 S CB -0.056 63.231 63.200 0.145 0.000 0.939 113 S HN 0.331 nan 8.310 nan 0.000 0.448 114 Y N -1.614 118.834 120.300 0.246 0.000 2.596 114 Y HA 0.539 5.090 4.550 0.002 0.000 0.326 114 Y C -0.352 175.950 175.900 0.670 0.000 1.167 114 Y CA -1.116 57.187 58.100 0.339 0.000 1.246 114 Y CB 0.753 39.367 38.460 0.257 0.000 1.347 114 Y HN 0.172 nan 8.280 nan 0.000 0.515 115 F N 1.206 121.318 119.950 0.270 0.000 2.173 115 F HA -0.207 4.321 4.527 0.001 0.000 0.509 115 F C -0.304 175.652 175.800 0.261 0.000 1.273 115 F CA -0.479 57.651 58.000 0.217 0.000 1.634 115 F CB -1.527 37.582 39.000 0.182 0.000 2.601 115 F HN 0.452 nan 8.300 nan 0.000 0.728 116 F N 0.867 120.900 119.950 0.139 0.000 1.405 116 F HA -0.317 4.211 4.527 0.002 0.000 0.086 116 F C -0.661 175.170 175.800 0.053 0.000 0.130 116 F CA 1.276 59.322 58.000 0.078 0.000 0.322 116 F CB -1.751 37.305 39.000 0.092 0.000 1.017 116 F HN 0.475 nan 8.300 nan 0.000 0.655 117 P HA -0.323 nan 4.420 nan 0.000 0.272 117 P C -0.105 177.125 177.300 -0.118 0.000 0.825 117 P CA 2.392 65.406 63.100 -0.144 0.000 1.038 117 P CB -0.314 31.358 31.700 -0.046 0.000 0.879 118 I N -1.651 118.842 120.570 -0.128 0.000 4.637 118 I HA -0.275 3.896 4.170 0.002 0.000 0.126 118 I C 0.650 176.617 176.117 -0.251 0.000 1.134 118 I CA 0.764 61.895 61.300 -0.282 0.000 2.675 118 I CB -1.264 36.408 38.000 -0.548 0.000 1.781 118 I HN 0.371 nan 8.210 nan 0.000 0.328 119 L N 4.499 125.600 121.223 -0.203 0.000 6.859 119 L HA -0.402 3.939 4.340 0.002 0.000 0.060 119 L C 1.057 177.823 176.870 -0.174 0.000 1.442 119 L CA 1.471 56.215 54.840 -0.161 0.000 1.727 119 L CB -0.414 41.578 42.059 -0.111 0.000 2.650 119 L HN 1.013 nan 8.230 nan 0.000 1.052 120 K N -0.098 120.243 120.400 -0.098 0.000 3.315 120 K HA -0.137 4.184 4.320 0.002 0.000 0.270 120 K C -0.682 175.895 176.600 -0.038 0.000 1.139 120 K CA 1.107 57.358 56.287 -0.060 0.000 0.806 120 K CB -1.557 30.910 32.500 -0.056 0.000 1.300 120 K HN 0.727 nan 8.250 nan 0.000 0.475 121 D N -2.118 118.264 120.400 -0.030 0.000 2.410 121 D HA 0.064 4.705 4.640 0.002 0.000 0.218 121 D C -1.357 174.937 176.300 -0.009 0.000 1.359 121 D CA 0.170 54.164 54.000 -0.011 0.000 1.348 121 D CB -0.432 40.365 40.800 -0.004 0.000 1.797 121 D HN 0.175 nan 8.370 nan 0.000 0.409 122 P HA 0.168 nan 4.420 nan 0.000 0.339 122 P C 1.267 178.559 177.300 -0.013 0.000 1.413 122 P CA -0.159 62.934 63.100 -0.012 0.000 0.833 122 P CB 0.236 31.927 31.700 -0.015 0.000 2.004 123 L N -0.670 120.545 121.223 -0.014 0.000 2.642 123 L HA -0.077 4.263 4.340 0.002 0.000 0.236 123 L C 2.086 178.947 176.870 -0.015 0.000 1.169 123 L CA 0.278 55.110 54.840 -0.014 0.000 0.851 123 L CB -0.651 41.400 42.059 -0.013 0.000 0.968 123 L HN 0.031 nan 8.230 nan 0.000 0.453 124 V N 0.005 119.908 119.914 -0.018 0.000 2.488 124 V HA -0.226 3.895 4.120 0.002 0.000 0.246 124 V C 2.234 178.318 176.094 -0.016 0.000 1.046 124 V CA 1.340 63.627 62.300 -0.022 0.000 1.053 124 V CB 0.211 32.014 31.823 -0.033 0.000 0.679 124 V HN 0.379 nan 8.190 nan 0.000 0.458 125 L N -0.159 121.056 121.223 -0.014 0.000 2.027 125 L HA -0.163 4.178 4.340 0.002 0.000 0.206 125 L C 2.791 179.660 176.870 -0.002 0.000 1.074 125 L CA 2.317 57.153 54.840 -0.006 0.000 0.745 125 L CB -0.426 41.631 42.059 -0.004 0.000 0.898 125 L HN 0.539 nan 8.230 nan 0.000 0.433 126 T N -1.001 113.547 114.554 -0.009 0.000 2.684 126 T HA -0.273 4.078 4.350 0.002 0.000 0.267 126 T C 1.763 176.467 174.700 0.007 0.000 1.036 126 T CA 1.976 64.070 62.100 -0.009 0.000 1.148 126 T CB -0.377 68.478 68.868 -0.021 0.000 0.863 126 T HN 0.280 nan 8.240 nan 0.000 0.436 127 I N 0.626 121.198 120.570 0.005 0.000 2.676 127 I HA 0.017 4.188 4.170 0.002 0.000 0.259 127 I C 2.583 178.712 176.117 0.019 0.000 1.194 127 I CA 1.125 62.433 61.300 0.012 0.000 1.473 127 I CB -0.236 37.764 38.000 -0.001 0.000 1.096 127 I HN 0.324 nan 8.210 nan 0.000 0.443 128 T N -1.735 112.828 114.554 0.013 0.000 2.978 128 T HA -0.140 4.211 4.350 0.002 0.000 0.262 128 T C 2.049 176.772 174.700 0.039 0.000 1.063 128 T CA 1.291 63.401 62.100 0.018 0.000 1.140 128 T CB -0.296 68.575 68.868 0.005 0.000 0.886 128 T HN 0.478 nan 8.240 nan 0.000 0.470 129 C N 0.700 120.024 119.300 0.039 0.000 2.466 129 C HA 0.078 4.539 4.460 0.002 0.000 0.278 129 C C 2.692 177.727 174.990 0.075 0.000 1.288 129 C CA 0.438 59.486 59.018 0.049 0.000 1.722 129 C CB -0.977 26.780 27.740 0.028 0.000 2.017 129 C HN 0.404 nan 8.230 nan 0.000 0.488 130 V N 0.138 120.103 119.914 0.085 0.000 2.490 130 V HA -0.147 3.974 4.120 0.002 0.000 0.250 130 V C 2.374 178.618 176.094 0.250 0.000 1.061 130 V CA 1.837 64.226 62.300 0.149 0.000 1.064 130 V CB -0.611 31.296 31.823 0.140 0.000 0.670 130 V HN 0.485 nan 8.190 nan 0.000 0.461 131 V N -0.130 119.881 119.914 0.162 0.000 2.307 131 V HA -0.192 3.929 4.120 0.002 0.000 0.245 131 V C 2.407 178.597 176.094 0.160 0.000 1.045 131 V CA 1.956 64.349 62.300 0.155 0.000 1.024 131 V CB -0.118 31.744 31.823 0.064 0.000 0.651 131 V HN 0.437 nan 8.190 nan 0.000 0.449 132 V N -0.161 119.821 119.914 0.114 0.000 2.343 132 V HA -0.264 3.857 4.120 0.002 0.000 0.247 132 V C 2.342 178.522 176.094 0.143 0.000 1.051 132 V CA 1.782 64.142 62.300 0.099 0.000 1.036 132 V CB -0.733 31.165 31.823 0.124 0.000 0.654 132 V HN 0.426 nan 8.190 nan 0.000 0.451 133 L N -1.406 119.894 121.223 0.128 0.000 1.997 133 L HA -0.262 4.079 4.340 0.002 0.000 0.216 133 L C 2.504 179.373 176.870 -0.002 0.000 1.074 133 L CA 2.425 57.289 54.840 0.040 0.000 0.763 133 L CB -0.681 41.305 42.059 -0.122 0.000 0.890 133 L HN 0.392 nan 8.230 nan 0.000 0.434 134 W N 0.090 121.414 121.300 0.040 0.000 2.374 134 W HA -0.125 4.536 4.660 0.002 0.000 0.288 134 W C 2.440 178.933 176.519 -0.044 0.000 1.218 134 W CA 0.522 57.871 57.345 0.007 0.000 1.245 134 W CB -0.336 29.116 29.460 -0.013 0.000 1.126 134 W HN 0.056 nan 8.180 nan 0.000 0.545 135 I N -0.958 119.660 120.570 0.080 0.000 2.248 135 I HA -0.350 3.821 4.170 0.002 0.000 0.248 135 I C 1.826 177.769 176.117 -0.290 0.000 1.107 135 I CA 1.469 62.657 61.300 -0.187 0.000 1.373 135 I CB -0.584 37.153 38.000 -0.439 0.000 1.055 135 I HN -0.064 nan 8.210 nan 0.000 0.418 136 F N -0.464 119.516 119.950 0.050 0.000 2.317 136 F HA -0.025 4.502 4.527 0.002 0.000 0.293 136 F C 2.359 178.165 175.800 0.010 0.000 1.085 136 F CA 0.560 58.571 58.000 0.019 0.000 1.390 136 F CB -0.969 38.029 39.000 -0.004 0.000 1.077 136 F HN -0.256 nan 8.300 nan 0.000 0.517 137 V N 0.211 120.201 119.914 0.126 0.000 2.278 137 V HA -0.326 3.795 4.120 0.002 0.000 0.251 137 V C 2.353 178.523 176.094 0.126 0.000 1.062 137 V CA 1.823 64.157 62.300 0.056 0.000 1.038 137 V CB -0.676 31.094 31.823 -0.089 0.000 0.646 137 V HN 0.216 nan 8.190 nan 0.000 0.447 138 L N -1.189 120.126 121.223 0.153 0.000 2.072 138 L HA -0.063 4.278 4.340 0.002 0.000 0.205 138 L C 2.138 179.059 176.870 0.085 0.000 1.079 138 L CA 1.568 56.482 54.840 0.124 0.000 0.752 138 L CB -0.610 41.516 42.059 0.110 0.000 0.906 138 L HN 0.218 nan 8.230 nan 0.000 0.436 139 L N -0.296 120.969 121.223 0.070 0.000 2.447 139 L HA -0.219 4.122 4.340 0.002 0.000 0.225 139 L C 1.925 178.859 176.870 0.107 0.000 1.148 139 L CA 0.905 55.794 54.840 0.081 0.000 0.808 139 L CB -0.490 41.633 42.059 0.106 0.000 0.928 139 L HN 0.485 nan 8.230 nan 0.000 0.448 140 N N -0.245 118.523 118.700 0.112 0.000 2.439 140 N HA 0.027 4.768 4.740 0.002 0.000 0.176 140 N C 1.826 177.385 175.510 0.081 0.000 1.029 140 N CA 0.547 53.652 53.050 0.092 0.000 0.886 140 N CB 0.434 38.975 38.487 0.089 0.000 1.057 140 N HN 0.288 nan 8.380 nan 0.000 0.437 141 I N 1.137 121.758 120.570 0.085 0.000 2.454 141 I HA -0.170 4.001 4.170 0.002 0.000 0.254 141 I C 2.088 178.251 176.117 0.076 0.000 1.156 141 I CA 0.862 62.209 61.300 0.079 0.000 1.433 141 I CB -0.807 37.243 38.000 0.083 0.000 1.082 141 I HN -0.120 nan 8.210 nan 0.000 0.432 142 V N 1.539 121.498 119.914 0.076 0.000 2.270 142 V HA -0.071 4.050 4.120 0.002 0.000 0.245 142 V C 2.201 178.354 176.094 0.099 0.000 1.043 142 V CA 1.630 63.978 62.300 0.080 0.000 1.014 142 V CB -1.648 30.215 31.823 0.066 0.000 0.645 142 V HN 0.502 nan 8.190 nan 0.000 0.447 143 G N 0.992 109.836 108.800 0.073 0.000 2.224 143 G HA2 -0.051 3.910 3.960 0.002 0.000 0.357 143 G HA3 -0.051 3.910 3.960 0.002 0.000 0.357 143 G C -1.158 173.783 174.900 0.069 0.000 1.436 143 G CA 0.633 45.761 45.100 0.045 0.000 1.070 143 G HN 0.410 nan 8.290 nan 0.000 0.556 144 P HA 0.051 nan 4.420 nan 0.000 0.224 144 P C 1.585 178.860 177.300 -0.041 0.000 1.157 144 P CA 1.138 64.243 63.100 0.008 0.000 0.799 144 P CB 0.073 31.779 31.700 0.010 0.000 0.809 145 K N -0.647 119.684 120.400 -0.115 0.000 2.366 145 K HA -0.179 4.142 4.320 0.002 0.000 0.202 145 K C 1.799 178.311 176.600 -0.147 0.000 1.045 145 K CA 1.138 57.308 56.287 -0.196 0.000 0.934 145 K CB -0.325 31.903 32.500 -0.453 0.000 0.746 145 K HN 0.021 nan 8.250 nan 0.000 0.470 146 M N 0.477 120.021 119.600 -0.094 0.000 2.216 146 M HA -0.059 4.422 4.480 0.002 0.000 0.264 146 M C 2.009 178.314 176.300 0.009 0.000 1.080 146 M CA 0.838 56.119 55.300 -0.032 0.000 1.153 146 M CB -0.423 32.183 32.600 0.011 0.000 1.356 146 M HN 0.207 nan 8.290 nan 0.000 0.432 147 I N 0.631 121.217 120.570 0.028 0.000 2.179 147 I HA -0.232 3.939 4.170 0.002 0.000 0.242 147 I C 2.456 178.590 176.117 0.027 0.000 1.088 147 I CA 2.126 63.462 61.300 0.061 0.000 1.357 147 I CB -0.988 37.058 38.000 0.076 0.000 1.051 147 I HN 0.428 nan 8.210 nan 0.000 0.409 148 T N -0.738 113.812 114.554 -0.007 0.000 2.849 148 T HA -0.238 4.113 4.350 0.002 0.000 0.270 148 T C 2.212 176.900 174.700 -0.019 0.000 1.066 148 T CA 1.696 63.781 62.100 -0.025 0.000 1.130 148 T CB -0.323 68.523 68.868 -0.037 0.000 0.864 148 T HN 0.401 nan 8.240 nan 0.000 0.481 149 R N -0.355 120.138 120.500 -0.013 0.000 2.062 149 R HA 0.098 4.439 4.340 0.002 0.000 0.229 149 R C 2.589 178.896 176.300 0.011 0.000 1.128 149 R CA 1.223 57.318 56.100 -0.009 0.000 0.960 149 R CB -0.511 29.780 30.300 -0.016 0.000 0.855 149 R HN 0.304 nan 8.270 nan 0.000 0.432 150 V N 1.026 120.962 119.914 0.036 0.000 2.287 150 V HA -0.308 3.813 4.120 0.002 0.000 0.248 150 V C 2.358 178.480 176.094 0.047 0.000 1.053 150 V CA 2.170 64.511 62.300 0.068 0.000 1.027 150 V CB -0.496 31.413 31.823 0.142 0.000 0.646 150 V HN 0.406 nan 8.190 nan 0.000 0.447 151 Q N 0.664 120.477 119.800 0.022 0.000 2.014 151 Q HA -0.227 4.114 4.340 0.002 0.000 0.207 151 Q C 2.144 178.123 176.000 -0.034 0.000 0.993 151 Q CA 2.766 58.553 55.803 -0.026 0.000 0.850 151 Q CB -0.694 28.017 28.738 -0.045 0.000 0.916 151 Q HN 0.561 nan 8.270 nan 0.000 0.417 152 A N -0.264 122.540 122.820 -0.027 0.000 1.917 152 A HA -0.198 4.123 4.320 0.002 0.000 0.219 152 A C 2.319 179.889 177.584 -0.024 0.000 1.182 152 A CA 1.934 53.954 52.037 -0.029 0.000 0.633 152 A CB -1.102 17.884 19.000 -0.023 0.000 0.819 152 A HN 0.320 nan 8.150 nan 0.000 0.448 153 V N -0.257 119.651 119.914 -0.009 0.000 2.220 153 V HA -0.270 3.851 4.120 0.002 0.000 0.246 153 V C 3.092 179.180 176.094 -0.010 0.000 1.049 153 V CA 2.191 64.491 62.300 0.000 0.000 1.003 153 V CB -1.428 30.407 31.823 0.019 0.000 0.634 153 V HN 0.646 nan 8.190 nan 0.000 0.444 154 A N 0.701 123.511 122.820 -0.016 0.000 1.883 154 A HA -0.280 4.041 4.320 0.002 0.000 0.217 154 A C 2.509 180.041 177.584 -0.086 0.000 1.186 154 A CA 3.002 55.009 52.037 -0.050 0.000 0.624 154 A CB -1.197 17.769 19.000 -0.057 0.000 0.822 154 A HN 0.686 nan 8.150 nan 0.000 0.444 155 T N -3.088 111.416 114.554 -0.083 0.000 2.833 155 T HA -0.089 4.262 4.350 0.002 0.000 0.269 155 T C 1.660 176.312 174.700 -0.080 0.000 1.054 155 T CA 1.450 63.491 62.100 -0.097 0.000 1.135 155 T CB -0.697 68.114 68.868 -0.095 0.000 0.869 155 T HN 0.057 nan 8.240 nan 0.000 0.466 156 V N 0.982 120.863 119.914 -0.055 0.000 2.490 156 V HA 0.019 4.140 4.120 0.002 0.000 0.250 156 V C 2.658 178.732 176.094 -0.034 0.000 1.061 156 V CA 1.299 63.575 62.300 -0.041 0.000 1.064 156 V CB -0.583 31.226 31.823 -0.024 0.000 0.670 156 V HN 0.496 nan 8.190 nan 0.000 0.461 157 L N -0.324 120.881 121.223 -0.031 0.000 2.201 157 L HA -0.087 4.254 4.340 0.002 0.000 0.212 157 L C 2.330 179.174 176.870 -0.042 0.000 1.105 157 L CA 1.453 56.289 54.840 -0.007 0.000 0.775 157 L CB -0.410 41.658 42.059 0.016 0.000 0.913 157 L HN 0.361 nan 8.230 nan 0.000 0.440 158 A N -1.291 121.473 122.820 -0.093 0.000 2.238 158 A HA 0.103 4.424 4.320 0.002 0.000 0.210 158 A C 2.052 179.588 177.584 -0.080 0.000 1.179 158 A CA 0.107 52.075 52.037 -0.115 0.000 0.827 158 A CB -0.138 18.760 19.000 -0.170 0.000 0.856 158 A HN 0.275 nan 8.150 nan 0.000 0.488 159 L N -0.383 120.799 121.223 -0.067 0.000 2.217 159 L HA -0.112 4.229 4.340 0.002 0.000 0.211 159 L C 2.208 179.053 176.870 -0.042 0.000 1.107 159 L CA 0.883 55.690 54.840 -0.056 0.000 0.783 159 L CB -0.593 41.435 42.059 -0.051 0.000 0.919 159 L HN 0.425 nan 8.230 nan 0.000 0.442 160 I N 0.540 121.086 120.570 -0.039 0.000 2.065 160 I HA -0.318 3.853 4.170 0.002 0.000 0.236 160 I C -0.184 175.902 176.117 -0.051 0.000 1.028 160 I CA 2.065 63.337 61.300 -0.047 0.000 1.299 160 I CB -1.702 36.282 38.000 -0.025 0.000 1.015 160 I HN 0.237 nan 8.210 nan 0.000 0.396 161 P HA -0.145 nan 4.420 nan 0.000 0.210 161 P C 1.934 179.241 177.300 0.011 0.000 1.191 161 P CA 1.592 64.693 63.100 0.002 0.000 0.917 161 P CB -0.022 31.702 31.700 0.040 0.000 0.778 162 I N -0.664 119.912 120.570 0.011 0.000 2.068 162 I HA -0.225 3.946 4.170 0.002 0.000 0.238 162 I C 1.775 177.899 176.117 0.012 0.000 1.046 162 I CA 1.831 63.135 61.300 0.007 0.000 1.306 162 I CB -0.790 37.194 38.000 -0.028 0.000 1.023 162 I HN -0.207 nan 8.210 nan 0.000 0.399 163 V N 0.919 120.833 119.914 0.000 0.000 3.592 163 V HA 0.003 4.123 4.120 0.002 0.000 0.272 163 V C 2.141 178.274 176.094 0.065 0.000 1.228 163 V CA 1.097 63.416 62.300 0.031 0.000 1.173 163 V CB -1.052 30.779 31.823 0.014 0.000 0.873 163 V HN 0.556 nan 8.190 nan 0.000 0.476 164 G N 0.436 109.248 108.800 0.019 0.000 2.394 164 G HA2 -0.096 3.865 3.960 0.002 0.000 0.215 164 G HA3 -0.096 3.865 3.960 0.002 0.000 0.215 164 G C 1.460 176.449 174.900 0.149 0.000 1.165 164 G CA 0.516 45.595 45.100 -0.036 0.000 0.784 164 G HN 0.513 nan 8.290 nan 0.000 0.535 165 I N 1.169 121.823 120.570 0.140 0.000 2.584 165 I HA 0.018 4.189 4.170 0.002 0.000 0.255 165 I C 3.069 179.328 176.117 0.236 0.000 1.145 165 I CA 0.580 61.997 61.300 0.194 0.000 1.462 165 I CB 0.031 38.095 38.000 0.106 0.000 1.102 165 I HN 0.212 nan 8.210 nan 0.000 0.433 166 A N 0.095 123.020 122.820 0.175 0.000 2.178 166 A HA -0.077 4.244 4.320 0.002 0.000 0.218 166 A C 2.065 179.791 177.584 0.238 0.000 1.157 166 A CA 1.610 53.736 52.037 0.149 0.000 0.689 166 A CB -0.246 18.795 19.000 0.068 0.000 0.787 166 A HN 0.310 nan 8.150 nan 0.000 0.465 167 V N -3.412 116.727 119.914 0.376 0.000 3.279 167 V HA 0.100 4.221 4.120 0.002 0.000 0.213 167 V C 1.800 178.265 176.094 0.618 0.000 1.335 167 V CA 0.401 63.020 62.300 0.530 0.000 1.317 167 V CB -0.845 31.224 31.823 0.410 0.000 1.209 167 V HN 0.443 nan 8.190 nan 0.000 0.525 168 F N 2.168 122.291 119.950 0.288 0.000 2.102 168 F HA -0.057 4.471 4.527 0.002 0.000 0.298 168 F C 2.485 178.474 175.800 0.315 0.000 1.105 168 F CA 1.922 60.064 58.000 0.237 0.000 1.239 168 F CB -0.785 38.312 39.000 0.161 0.000 0.991 168 F HN 0.285 nan 8.300 nan 0.000 0.474 169 G N -0.685 108.406 108.800 0.485 0.000 2.442 169 G HA2 -0.333 3.628 3.960 0.002 0.000 0.219 169 G HA3 -0.333 3.628 3.960 0.002 0.000 0.219 169 G C 1.300 176.469 174.900 0.448 0.000 1.141 169 G CA 0.802 46.137 45.100 0.391 0.000 0.763 169 G HN 0.565 nan 8.290 nan 0.000 0.554 170 W N 0.929 122.399 121.300 0.282 0.000 2.333 170 W HA 0.001 4.662 4.660 0.001 0.000 0.316 170 W C 1.960 178.659 176.519 0.301 0.000 1.215 170 W CA 1.196 58.693 57.345 0.253 0.000 1.278 170 W CB -0.852 28.724 29.460 0.193 0.000 1.154 170 W HN 0.071 nan 8.180 nan 0.000 0.486 171 F N -0.423 119.222 119.950 -0.508 0.000 2.307 171 F HA -0.072 4.456 4.527 0.001 0.000 0.301 171 F C 1.831 177.472 175.800 -0.266 0.000 1.076 171 F CA 1.690 59.214 58.000 -0.794 0.000 1.383 171 F CB -0.572 38.016 39.000 -0.687 0.000 1.055 171 F HN -0.000 nan 8.300 nan 0.000 0.526 172 W N -0.944 120.375 121.300 0.032 0.000 1.592 172 W HA 0.123 4.785 4.660 0.002 0.000 0.624 172 W C 0.342 176.984 176.519 0.204 0.000 1.311 172 W CA -0.416 56.999 57.345 0.116 0.000 1.187 172 W CB -0.713 28.837 29.460 0.149 0.000 3.278 172 W HN -0.419 nan 8.180 nan 0.000 0.762 173 F N 2.821 123.289 119.950 0.864 0.000 2.594 173 F HA -0.166 4.362 4.527 0.001 0.000 0.384 173 F C 0.838 176.886 175.800 0.415 0.000 1.060 173 F CA 0.828 59.151 58.000 0.538 0.000 1.278 173 F CB 0.164 39.393 39.000 0.381 0.000 0.977 173 F HN 0.208 nan 8.300 nan 0.000 0.576 174 R N 2.580 123.288 120.500 0.346 0.000 2.388 174 R HA -0.148 4.193 4.340 0.002 0.000 0.344 174 R C 0.213 176.125 176.300 -0.647 0.000 1.043 174 R CA 0.338 56.425 56.100 -0.022 0.000 0.776 174 R CB -1.551 28.816 30.300 0.113 0.000 2.324 174 R HN 1.088 nan 8.270 nan 0.000 0.479 175 G N 1.141 109.397 108.800 -0.907 0.000 4.099 175 G HA2 -0.081 3.880 3.960 0.002 0.000 0.114 175 G HA3 -0.081 3.880 3.960 0.002 0.000 0.114 175 G C 0.299 174.888 174.900 -0.518 0.000 1.603 175 G CA -0.034 44.825 45.100 -0.401 0.000 1.010 175 G HN 0.302 nan 8.290 nan 0.000 0.324 176 E N 1.042 120.992 120.200 -0.417 0.000 2.474 176 E HA 0.133 4.484 4.350 0.002 0.000 0.195 176 E C 2.010 178.402 176.600 -0.346 0.000 1.039 176 E CA 0.613 56.855 56.400 -0.263 0.000 0.881 176 E CB 0.383 30.014 29.700 -0.115 0.000 0.970 176 E HN 0.414 nan 8.360 nan 0.000 0.486 177 T N 0.381 114.553 114.554 -0.637 0.000 2.788 177 T HA -0.203 4.148 4.350 0.002 0.000 0.268 177 T C 1.552 176.105 174.700 -0.244 0.000 1.044 177 T CA 1.288 63.115 62.100 -0.455 0.000 1.139 177 T CB -0.425 68.107 68.868 -0.561 0.000 0.867 177 T HN 0.380 nan 8.240 nan 0.000 0.454 178 Y N 0.954 121.268 120.300 0.024 0.000 2.181 178 Y HA 0.016 4.567 4.550 0.001 0.000 0.288 178 Y C 2.743 178.703 175.900 0.099 0.000 1.146 178 Y CA 0.569 58.705 58.100 0.061 0.000 1.164 178 Y CB -0.668 37.824 38.460 0.053 0.000 0.982 178 Y HN 0.069 nan 8.280 nan 0.000 0.515 179 M N 0.755 120.475 119.600 0.200 0.000 2.202 179 M HA -0.206 4.275 4.480 0.002 0.000 0.262 179 M C 2.335 178.855 176.300 0.366 0.000 1.063 179 M CA 1.733 57.251 55.300 0.363 0.000 1.097 179 M CB -0.161 32.613 32.600 0.291 0.000 1.382 179 M HN 0.396 nan 8.290 nan 0.000 0.413 180 A N 0.293 123.200 122.820 0.144 0.000 1.858 180 A HA -0.057 4.264 4.320 0.002 0.000 0.216 180 A C 2.241 179.915 177.584 0.150 0.000 1.190 180 A CA 1.811 53.904 52.037 0.094 0.000 0.617 180 A CB -1.227 17.780 19.000 0.012 0.000 0.827 180 A HN 0.628 nan 8.150 nan 0.000 0.443 181 A N -2.444 120.469 122.820 0.156 0.000 2.178 181 A HA 0.075 4.396 4.320 0.002 0.000 0.218 181 A C 0.911 178.632 177.584 0.228 0.000 1.157 181 A CA 0.878 53.013 52.037 0.164 0.000 0.689 181 A CB -0.833 18.261 19.000 0.157 0.000 0.787 181 A HN 0.693 nan 8.150 nan 0.000 0.465 182 W N 0.191 121.517 121.300 0.042 0.000 1.941 182 W HA -0.353 4.307 4.660 0.001 0.000 0.213 182 W C 1.028 177.561 176.519 0.023 0.000 0.869 182 W CA 1.855 59.221 57.345 0.036 0.000 1.805 182 W CB -0.598 28.876 29.460 0.023 0.000 1.508 182 W HN 0.421 nan 8.180 nan 0.000 0.715 183 N N -0.543 118.185 118.700 0.046 0.000 2.057 183 N HA 0.145 4.886 4.740 0.002 0.000 0.212 183 N C 0.596 176.158 175.510 0.087 0.000 1.172 183 N CA 1.230 54.232 53.050 -0.080 0.000 0.981 183 N CB -1.343 36.995 38.487 -0.250 0.000 1.155 183 N HN 0.364 nan 8.380 nan 0.000 0.446 184 V N -0.738 119.244 119.914 0.113 0.000 3.440 184 V HA -0.345 3.776 4.120 0.002 0.000 0.377 184 V C 1.232 177.366 176.094 0.067 0.000 2.191 184 V CA 1.386 63.752 62.300 0.111 0.000 2.193 184 V CB -1.509 30.405 31.823 0.150 0.000 1.831 184 V HN 0.792 nan 8.190 nan 0.000 0.510 185 S N -2.184 113.553 115.700 0.061 0.000 1.811 185 S HA -0.208 4.263 4.470 0.002 0.000 0.234 185 S C 0.929 175.548 174.600 0.031 0.000 0.947 185 S CA 1.749 59.975 58.200 0.042 0.000 1.485 185 S CB -1.523 61.701 63.200 0.040 0.000 1.892 185 S HN 2.539 nan 8.310 nan 0.000 0.542 186 G N 1.606 110.422 108.800 0.027 0.000 2.339 186 G HA2 0.566 4.527 3.960 0.002 0.000 0.287 186 G HA3 0.566 4.527 3.960 0.002 0.000 0.287 186 G C -0.133 174.793 174.900 0.044 0.000 1.163 186 G CA -0.762 44.352 45.100 0.024 0.000 0.872 186 G HN 0.470 nan 8.290 nan 0.000 0.464 187 L N 3.183 124.435 121.223 0.048 0.000 2.415 187 L HA 0.389 4.730 4.340 0.002 0.000 0.269 187 L C 1.167 178.090 176.870 0.088 0.000 1.244 187 L CA 0.125 55.002 54.840 0.061 0.000 1.113 187 L CB -1.135 40.953 42.059 0.047 0.000 1.352 187 L HN 0.869 nan 8.230 nan 0.000 0.433 188 G N 1.479 110.342 108.800 0.105 0.000 2.778 188 G HA2 -0.269 3.692 3.960 0.002 0.000 0.686 188 G HA3 -0.269 3.692 3.960 0.002 0.000 0.686 188 G C 0.790 175.792 174.900 0.171 0.000 1.309 188 G CA -0.202 44.987 45.100 0.148 0.000 0.904 188 G HN 0.752 nan 8.290 nan 0.000 0.593 189 T N 0.303 114.975 114.554 0.196 0.000 2.567 189 T HA -0.279 4.072 4.350 0.002 0.000 0.261 189 T C 1.525 176.296 174.700 0.119 0.000 1.123 189 T CA 1.945 64.148 62.100 0.171 0.000 1.166 189 T CB -0.513 68.450 68.868 0.159 0.000 0.860 189 T HN 1.045 nan 8.240 nan 0.000 0.436 190 F N 3.363 123.355 119.950 0.070 0.000 2.474 190 F HA 0.356 4.883 4.527 0.002 0.000 0.375 190 F C 1.860 177.691 175.800 0.052 0.000 1.090 190 F CA 0.960 58.991 58.000 0.051 0.000 1.044 190 F CB -0.590 38.433 39.000 0.038 0.000 1.018 190 F HN 0.650 nan 8.300 nan 0.000 0.560 191 G N 1.999 110.898 108.800 0.165 0.000 2.217 191 G HA2 -0.318 3.643 3.960 0.002 0.000 0.246 191 G HA3 -0.318 3.643 3.960 0.002 0.000 0.246 191 G C 1.098 176.050 174.900 0.087 0.000 0.990 191 G CA 0.213 45.393 45.100 0.133 0.000 0.627 191 G HN 0.929 nan 8.290 nan 0.000 0.522 192 A N -0.355 122.514 122.820 0.082 0.000 2.081 192 A HA 0.563 4.884 4.320 0.002 0.000 0.214 192 A C 2.150 179.749 177.584 0.025 0.000 1.158 192 A CA 1.650 53.716 52.037 0.047 0.000 0.724 192 A CB -0.177 18.852 19.000 0.048 0.000 0.826 192 A HN 0.632 nan 8.150 nan 0.000 0.463 193 I N 0.086 120.683 120.570 0.044 0.000 2.286 193 I HA -0.242 3.928 4.170 0.002 0.000 0.248 193 I C 2.220 178.349 176.117 0.019 0.000 1.115 193 I CA 1.360 62.680 61.300 0.033 0.000 1.392 193 I CB -0.212 37.815 38.000 0.045 0.000 1.065 193 I HN 0.354 nan 8.210 nan 0.000 0.418 194 Q N -0.233 119.600 119.800 0.054 0.000 2.515 194 Q HA -0.080 4.260 4.340 0.002 0.000 0.214 194 Q C 2.074 178.068 176.000 -0.008 0.000 0.971 194 Q CA 0.939 56.778 55.803 0.059 0.000 0.952 194 Q CB -0.013 28.790 28.738 0.108 0.000 0.999 194 Q HN 0.672 nan 8.270 nan 0.000 0.524 195 S N -1.143 114.544 115.700 -0.022 0.000 2.387 195 S HA -0.101 4.370 4.470 0.002 0.000 0.221 195 S C 2.088 176.644 174.600 -0.073 0.000 1.041 195 S CA 1.164 59.338 58.200 -0.043 0.000 0.959 195 S CB -0.462 62.719 63.200 -0.031 0.000 0.843 195 S HN 0.386 nan 8.310 nan 0.000 0.488 196 T N 2.010 116.502 114.554 -0.104 0.000 2.737 196 T HA 0.160 4.511 4.350 0.002 0.000 0.265 196 T C 1.847 176.408 174.700 -0.232 0.000 1.038 196 T CA 0.935 62.908 62.100 -0.212 0.000 1.144 196 T CB -0.868 67.826 68.868 -0.291 0.000 0.866 196 T HN 0.301 nan 8.240 nan 0.000 0.434 197 L N 1.145 122.287 121.223 -0.136 0.000 2.549 197 L HA 0.078 4.419 4.340 0.002 0.000 0.229 197 L C 2.129 178.956 176.870 -0.071 0.000 1.158 197 L CA 0.906 55.695 54.840 -0.085 0.000 0.842 197 L CB -0.769 41.324 42.059 0.058 0.000 0.952 197 L HN 0.319 nan 8.230 nan 0.000 0.452 198 N N -1.164 117.486 118.700 -0.084 0.000 2.336 198 N HA -0.010 4.731 4.740 0.002 0.000 0.189 198 N C 0.931 176.398 175.510 -0.072 0.000 1.113 198 N CA 0.262 53.245 53.050 -0.111 0.000 0.858 198 N CB 0.566 38.978 38.487 -0.124 0.000 0.970 198 N HN 0.081 nan 8.380 nan 0.000 0.471 199 V N -3.244 116.674 119.914 0.008 0.000 3.155 199 V HA 0.009 4.130 4.120 0.002 0.000 0.225 199 V C 2.080 178.229 176.094 0.091 0.000 1.462 199 V CA 0.746 63.176 62.300 0.218 0.000 1.270 199 V CB -0.292 31.637 31.823 0.178 0.000 1.112 199 V HN 0.320 nan 8.190 nan 0.000 0.479 200 T N -0.313 114.092 114.554 -0.248 0.000 2.822 200 T HA -0.186 4.164 4.350 0.002 0.000 0.270 200 T C 1.748 176.373 174.700 -0.125 0.000 1.064 200 T CA 2.095 63.866 62.100 -0.548 0.000 1.131 200 T CB -0.285 67.861 68.868 -1.203 0.000 0.858 200 T HN 0.210 nan 8.240 nan 0.000 0.483 201 L N 0.845 122.057 121.223 -0.018 0.000 2.013 201 L HA 0.220 4.561 4.340 0.002 0.000 0.204 201 L C 2.370 179.386 176.870 0.242 0.000 1.081 201 L CA 1.411 56.293 54.840 0.069 0.000 0.751 201 L CB -1.004 41.004 42.059 -0.085 0.000 0.901 201 L HN 0.693 nan 8.230 nan 0.000 0.440 202 W N 0.150 121.441 121.300 -0.015 0.000 2.874 202 W HA 0.058 4.719 4.660 0.001 0.000 0.242 202 W C 0.382 176.921 176.519 0.033 0.000 1.285 202 W CA 0.644 57.992 57.345 0.004 0.000 1.379 202 W CB -1.409 28.011 29.460 -0.067 0.000 1.137 202 W HN 0.452 nan 8.180 nan 0.000 0.683 203 S N -0.433 115.275 115.700 0.013 0.000 2.204 203 S HA 0.416 4.887 4.470 0.002 0.000 0.178 203 S C -0.752 173.960 174.600 0.186 0.000 1.493 203 S CA -0.540 57.627 58.200 -0.054 0.000 1.266 203 S CB -0.895 62.211 63.200 -0.156 0.000 1.232 203 S HN 0.087 nan 8.310 nan 0.000 0.406 204 F N 0.955 120.996 119.950 0.151 0.000 3.083 204 F HA 0.485 5.013 4.527 0.001 0.000 0.355 204 F C -0.101 175.806 175.800 0.179 0.000 1.194 204 F CA -0.917 57.230 58.000 0.246 0.000 1.027 204 F CB 0.307 39.465 39.000 0.263 0.000 1.386 204 F HN 0.355 nan 8.300 nan 0.000 0.513 205 I N 0.852 121.637 120.570 0.359 0.000 2.775 205 I HA 0.272 4.443 4.170 0.002 0.000 0.290 205 I C 1.361 177.720 176.117 0.403 0.000 1.203 205 I CA 1.716 63.229 61.300 0.355 0.000 1.433 205 I CB -0.074 38.138 38.000 0.353 0.000 1.354 205 I HN 0.438 nan 8.210 nan 0.000 0.579 206 G N 3.701 112.753 108.800 0.420 0.000 2.485 206 G HA2 -0.218 3.743 3.960 0.002 0.000 0.181 206 G HA3 -0.218 3.743 3.960 0.002 0.000 0.181 206 G C 0.675 175.620 174.900 0.076 0.000 0.999 206 G CA -0.022 45.235 45.100 0.261 0.000 0.721 206 G HN 0.568 nan 8.290 nan 0.000 0.486 207 V N 0.775 120.760 119.914 0.119 0.000 2.764 207 V HA -0.179 3.942 4.120 0.002 0.000 0.261 207 V C 2.474 178.446 176.094 -0.204 0.000 1.108 207 V CA 2.768 65.070 62.300 0.003 0.000 1.129 207 V CB -0.903 30.930 31.823 0.017 0.000 0.701 207 V HN 0.802 nan 8.190 nan 0.000 0.495 208 E N 2.856 122.849 120.200 -0.346 0.000 2.077 208 E HA -0.255 4.096 4.350 0.002 0.000 0.193 208 E C 2.215 178.627 176.600 -0.313 0.000 0.989 208 E CA 1.753 57.732 56.400 -0.701 0.000 0.800 208 E CB -0.845 28.451 29.700 -0.674 0.000 0.746 208 E HN 0.771 nan 8.360 nan 0.000 0.452 209 S N 2.019 117.574 115.700 -0.240 0.000 2.399 209 S HA -0.306 4.165 4.470 0.002 0.000 0.235 209 S C 2.306 176.835 174.600 -0.119 0.000 1.063 209 S CA 1.488 59.556 58.200 -0.220 0.000 1.070 209 S CB -0.715 62.301 63.200 -0.307 0.000 0.904 209 S HN 0.497 nan 8.310 nan 0.000 0.456 210 A N 0.982 123.755 122.820 -0.078 0.000 1.968 210 A HA 0.104 4.425 4.320 0.002 0.000 0.217 210 A C 2.320 179.929 177.584 0.041 0.000 1.169 210 A CA 1.560 53.587 52.037 -0.017 0.000 0.638 210 A CB -0.949 18.053 19.000 0.003 0.000 0.812 210 A HN 0.582 nan 8.150 nan 0.000 0.446 211 S N -0.886 114.865 115.700 0.086 0.000 2.562 211 S HA 0.027 4.498 4.470 0.002 0.000 0.221 211 S C 1.468 176.160 174.600 0.154 0.000 0.975 211 S CA 1.015 59.349 58.200 0.224 0.000 0.918 211 S CB -0.256 63.271 63.200 0.545 0.000 0.772 211 S HN 0.241 nan 8.310 nan 0.000 0.531 212 V N 1.163 121.110 119.914 0.054 0.000 2.992 212 V HA 0.197 4.318 4.120 0.002 0.000 0.250 212 V C 2.614 178.718 176.094 0.017 0.000 1.090 212 V CA 1.052 63.373 62.300 0.035 0.000 1.101 212 V CB -0.733 31.101 31.823 0.018 0.000 0.743 212 V HN 0.528 nan 8.190 nan 0.000 0.468 213 A N -0.015 122.805 122.820 -0.001 0.000 1.821 213 A HA 0.180 4.501 4.320 0.002 0.000 0.215 213 A C 2.185 179.776 177.584 0.012 0.000 1.214 213 A CA 2.823 54.857 52.037 -0.004 0.000 0.608 213 A CB -0.909 18.082 19.000 -0.015 0.000 0.862 213 A HN 1.084 nan 8.150 nan 0.000 0.448 214 A N -2.660 120.173 122.820 0.023 0.000 4.725 214 A HA -0.297 4.024 4.320 0.002 0.000 0.343 214 A C 2.742 180.336 177.584 0.016 0.000 1.760 214 A CA 2.897 54.950 52.037 0.027 0.000 0.747 214 A CB -2.187 16.829 19.000 0.028 0.000 1.450 214 A HN 1.965 nan 8.150 nan 0.000 0.454 215 G N -1.463 107.346 108.800 0.014 0.000 2.469 215 G HA2 0.056 4.017 3.960 0.002 0.000 0.220 215 G HA3 0.056 4.017 3.960 0.002 0.000 0.220 215 G C 1.032 175.940 174.900 0.013 0.000 1.136 215 G CA 1.943 47.051 45.100 0.013 0.000 0.759 215 G HN 1.511 nan 8.290 nan 0.000 0.562 216 V N 0.893 120.813 119.914 0.010 0.000 3.140 216 V HA 0.344 4.465 4.120 0.002 0.000 0.379 216 V C -0.200 175.894 176.094 -0.000 0.000 1.296 216 V CA -0.192 62.112 62.300 0.006 0.000 1.351 216 V CB 0.048 31.872 31.823 0.003 0.000 1.311 216 V HN 0.072 nan 8.190 nan 0.000 0.508 217 V N -0.484 119.433 119.914 0.004 0.000 2.925 217 V HA 0.347 4.468 4.120 0.002 0.000 0.311 217 V C 0.976 177.074 176.094 0.007 0.000 1.104 217 V CA -1.083 61.219 62.300 0.003 0.000 0.954 217 V CB 2.471 34.298 31.823 0.007 0.000 1.022 217 V HN 0.224 nan 8.190 nan 0.000 0.427 218 K N 1.412 121.815 120.400 0.006 0.000 1.974 218 K HA -0.083 4.238 4.320 0.002 0.000 0.229 218 K C 0.418 177.024 176.600 0.009 0.000 1.038 218 K CA 1.649 57.941 56.287 0.009 0.000 1.034 218 K CB -0.090 32.415 32.500 0.008 0.000 0.742 218 K HN 0.733 nan 8.250 nan 0.000 0.446 219 N N 1.505 120.212 118.700 0.012 0.000 2.437 219 N HA 0.112 4.852 4.740 0.002 0.000 0.259 219 N C -2.384 173.136 175.510 0.016 0.000 0.983 219 N CA -1.252 51.804 53.050 0.010 0.000 0.937 219 N CB 1.692 40.187 38.487 0.012 0.000 1.122 219 N HN -0.002 nan 8.380 nan 0.000 0.499 220 P HA -0.109 nan 4.420 nan 0.000 0.214 220 P C 1.053 178.368 177.300 0.026 0.000 1.162 220 P CA 1.292 64.404 63.100 0.020 0.000 0.879 220 P CB 0.335 32.041 31.700 0.009 0.000 0.786 221 K N -0.738 119.651 120.400 -0.017 0.000 2.442 221 K HA -0.107 4.214 4.320 0.002 0.000 0.199 221 K C 1.884 178.533 176.600 0.082 0.000 1.044 221 K CA 1.021 57.276 56.287 -0.054 0.000 0.941 221 K CB -0.003 32.387 32.500 -0.184 0.000 0.759 221 K HN 0.169 nan 8.250 nan 0.000 0.472 222 R N -1.324 119.227 120.500 0.084 0.000 2.306 222 R HA 0.134 4.475 4.340 0.002 0.000 0.183 222 R C 1.624 177.977 176.300 0.089 0.000 0.937 222 R CA -0.114 56.055 56.100 0.115 0.000 1.118 222 R CB -0.177 30.171 30.300 0.079 0.000 1.224 222 R HN 0.068 nan 8.270 nan 0.000 0.597 223 N N 1.244 119.979 118.700 0.059 0.000 2.142 223 N HA -0.087 4.654 4.740 0.002 0.000 0.186 223 N C 1.952 177.491 175.510 0.049 0.000 1.023 223 N CA 1.038 54.114 53.050 0.044 0.000 0.852 223 N CB -0.097 38.406 38.487 0.027 0.000 0.998 223 N HN -0.066 nan 8.380 nan 0.000 0.424 224 V N 2.443 122.393 119.914 0.060 0.000 2.255 224 V HA -0.178 3.943 4.120 0.002 0.000 0.247 224 V C -0.679 175.461 176.094 0.077 0.000 1.051 224 V CA 1.998 64.338 62.300 0.066 0.000 1.018 224 V CB -1.293 30.579 31.823 0.083 0.000 0.641 224 V HN 0.238 nan 8.190 nan 0.000 0.445 225 P HA -0.115 nan 4.420 nan 0.000 0.213 225 P C 1.870 179.204 177.300 0.056 0.000 1.170 225 P CA 1.511 64.664 63.100 0.089 0.000 0.893 225 P CB -0.104 31.659 31.700 0.105 0.000 0.784 226 I N -0.438 120.162 120.570 0.051 0.000 2.191 226 I HA -0.387 3.784 4.170 0.002 0.000 0.248 226 I C 2.286 178.419 176.117 0.026 0.000 1.061 226 I CA 2.002 63.321 61.300 0.032 0.000 1.329 226 I CB -1.000 37.019 38.000 0.032 0.000 1.024 226 I HN -0.040 nan 8.210 nan 0.000 0.423 227 A N 0.712 123.548 122.820 0.028 0.000 1.858 227 A HA -0.272 4.049 4.320 0.002 0.000 0.216 227 A C 2.481 180.074 177.584 0.015 0.000 1.190 227 A CA 2.857 54.903 52.037 0.014 0.000 0.617 227 A CB -1.315 17.691 19.000 0.010 0.000 0.827 227 A HN 0.558 nan 8.150 nan 0.000 0.443 228 T N -1.476 113.094 114.554 0.028 0.000 2.720 228 T HA -0.140 4.211 4.350 0.002 0.000 0.268 228 T C 1.827 176.549 174.700 0.037 0.000 1.037 228 T CA 1.751 63.869 62.100 0.029 0.000 1.144 228 T CB -0.535 68.364 68.868 0.051 0.000 0.864 228 T HN 0.274 nan 8.240 nan 0.000 0.444 229 I N 1.588 122.180 120.570 0.037 0.000 2.202 229 I HA 0.079 4.250 4.170 0.002 0.000 0.242 229 I C 3.030 179.166 176.117 0.033 0.000 1.091 229 I CA 1.355 62.678 61.300 0.037 0.000 1.368 229 I CB -0.679 37.338 38.000 0.028 0.000 1.058 229 I HN 0.476 nan 8.210 nan 0.000 0.410 230 G N 0.079 108.891 108.800 0.020 0.000 2.421 230 G HA2 -0.200 3.761 3.960 0.002 0.000 0.216 230 G HA3 -0.200 3.761 3.960 0.002 0.000 0.216 230 G C 1.732 176.634 174.900 0.003 0.000 1.171 230 G CA 0.801 45.907 45.100 0.010 0.000 0.775 230 G HN 0.496 nan 8.290 nan 0.000 0.543 231 G N 0.509 109.310 108.800 0.000 0.000 2.491 231 G HA2 -0.204 3.757 3.960 0.002 0.000 0.218 231 G HA3 -0.204 3.757 3.960 0.002 0.000 0.218 231 G C 1.815 176.715 174.900 0.001 0.000 1.180 231 G CA 1.605 46.697 45.100 -0.015 0.000 0.774 231 G HN 0.344 nan 8.290 nan 0.000 0.562 232 V N 1.027 120.975 119.914 0.056 0.000 2.307 232 V HA -0.116 4.005 4.120 0.002 0.000 0.245 232 V C 2.925 179.104 176.094 0.142 0.000 1.045 232 V CA 1.492 63.882 62.300 0.149 0.000 1.024 232 V CB -0.640 31.311 31.823 0.212 0.000 0.651 232 V HN 0.332 nan 8.190 nan 0.000 0.449 233 L N -0.589 120.691 121.223 0.095 0.000 2.013 233 L HA -0.243 4.098 4.340 0.002 0.000 0.212 233 L C 2.441 179.329 176.870 0.030 0.000 1.073 233 L CA 1.851 56.736 54.840 0.076 0.000 0.753 233 L CB -0.567 41.518 42.059 0.044 0.000 0.890 233 L HN 0.276 nan 8.230 nan 0.000 0.432 234 I N -0.278 120.286 120.570 -0.010 0.000 2.127 234 I HA -0.335 3.835 4.170 0.002 0.000 0.241 234 I C 2.808 178.850 176.117 -0.126 0.000 1.075 234 I CA 1.382 62.646 61.300 -0.060 0.000 1.334 234 I CB -0.435 37.523 38.000 -0.070 0.000 1.040 234 I HN 0.234 nan 8.210 nan 0.000 0.405 235 A N 0.571 123.293 122.820 -0.163 0.000 1.883 235 A HA -0.201 4.120 4.320 0.002 0.000 0.217 235 A C 2.520 179.877 177.584 -0.378 0.000 1.186 235 A CA 2.027 53.826 52.037 -0.397 0.000 0.624 235 A CB -0.951 17.800 19.000 -0.414 0.000 0.822 235 A HN 0.458 nan 8.150 nan 0.000 0.444 236 A N -0.755 122.080 122.820 0.025 0.000 1.858 236 A HA -0.025 4.296 4.320 0.002 0.000 0.216 236 A C 2.281 179.920 177.584 0.091 0.000 1.190 236 A CA 1.830 54.044 52.037 0.295 0.000 0.617 236 A CB -1.170 18.091 19.000 0.436 0.000 0.827 236 A HN 0.416 nan 8.150 nan 0.000 0.443 237 V N -0.496 119.428 119.914 0.015 0.000 2.255 237 V HA -0.363 3.757 4.120 0.002 0.000 0.247 237 V C 2.748 178.788 176.094 -0.090 0.000 1.051 237 V CA 2.317 64.597 62.300 -0.034 0.000 1.018 237 V CB -0.880 30.924 31.823 -0.032 0.000 0.641 237 V HN 0.744 nan 8.190 nan 0.000 0.445 238 C N -1.286 117.932 119.300 -0.137 0.000 2.401 238 C HA -0.244 4.217 4.460 0.002 0.000 0.276 238 C C 2.421 177.303 174.990 -0.179 0.000 1.233 238 C CA 1.224 60.138 59.018 -0.173 0.000 1.753 238 C CB -1.349 26.244 27.740 -0.246 0.000 2.029 238 C HN 0.635 nan 8.230 nan 0.000 0.478 239 Y N 0.209 120.353 120.300 -0.260 0.000 2.081 239 Y HA -0.264 4.287 4.550 0.001 0.000 0.280 239 Y C 2.670 178.187 175.900 -0.638 0.000 1.163 239 Y CA 1.583 59.412 58.100 -0.450 0.000 1.135 239 Y CB -0.385 37.745 38.460 -0.550 0.000 0.970 239 Y HN 0.126 nan 8.280 nan 0.000 0.498 240 V N 0.395 120.082 119.914 -0.378 0.000 2.270 240 V HA -0.308 3.813 4.120 0.002 0.000 0.245 240 V C 2.073 178.008 176.094 -0.265 0.000 1.043 240 V CA 1.728 63.759 62.300 -0.449 0.000 1.014 240 V CB -0.673 30.995 31.823 -0.259 0.000 0.645 240 V HN 0.394 nan 8.190 nan 0.000 0.447 241 L N 0.944 122.073 121.223 -0.157 0.000 2.450 241 L HA -0.114 4.227 4.340 0.002 0.000 0.224 241 L C 2.489 179.316 176.870 -0.073 0.000 1.149 241 L CA 1.499 56.285 54.840 -0.090 0.000 0.816 241 L CB -0.800 41.230 42.059 -0.048 0.000 0.932 241 L HN 0.572 nan 8.230 nan 0.000 0.449 242 S N -1.225 114.413 115.700 -0.104 0.000 2.387 242 S HA -0.096 4.375 4.470 0.002 0.000 0.221 242 S C 1.766 176.321 174.600 -0.074 0.000 1.041 242 S CA 0.737 58.898 58.200 -0.066 0.000 0.959 242 S CB -0.641 62.531 63.200 -0.046 0.000 0.843 242 S HN 0.448 nan 8.310 nan 0.000 0.488 243 T N 0.577 115.059 114.554 -0.120 0.000 3.324 243 T HA 0.211 4.562 4.350 0.002 0.000 0.250 243 T C 1.188 175.835 174.700 -0.089 0.000 1.059 243 T CA 0.520 62.583 62.100 -0.063 0.000 0.951 243 T CB -0.526 68.372 68.868 0.050 0.000 1.030 243 T HN 0.597 nan 8.240 nan 0.000 0.576 244 T N -2.002 112.473 114.554 -0.131 0.000 3.022 244 T HA 0.465 4.816 4.350 0.002 0.000 0.250 244 T C 1.201 175.754 174.700 -0.244 0.000 1.060 244 T CA 0.083 62.078 62.100 -0.176 0.000 1.013 244 T CB -0.108 68.659 68.868 -0.170 0.000 0.982 244 T HN 0.465 nan 8.240 nan 0.000 0.508 245 A N 2.113 124.857 122.820 -0.128 0.000 2.899 245 A HA 0.603 4.923 4.320 0.002 0.000 0.287 245 A C 0.138 177.700 177.584 -0.037 0.000 1.715 245 A CA -0.371 51.620 52.037 -0.076 0.000 1.393 245 A CB -1.245 17.738 19.000 -0.029 0.000 1.070 245 A HN 0.785 nan 8.150 nan 0.000 0.587 246 I N 4.271 124.824 120.570 -0.027 0.000 2.598 246 I HA 0.133 4.304 4.170 0.002 0.000 0.277 246 I C 0.571 176.901 176.117 0.355 0.000 1.179 246 I CA -0.656 60.705 61.300 0.102 0.000 1.081 246 I CB 1.151 39.171 38.000 0.034 0.000 1.272 246 I HN 0.666 nan 8.210 nan 0.000 0.471 247 M N 4.626 124.524 119.600 0.496 0.000 2.299 247 M HA 0.491 4.972 4.480 0.002 0.000 0.264 247 M C 0.962 177.422 176.300 0.267 0.000 1.095 247 M CA 2.071 57.691 55.300 0.533 0.000 1.165 247 M CB -0.535 32.382 32.600 0.529 0.000 1.349 247 M HN 0.525 nan 8.290 nan 0.000 0.446 248 G N -0.509 108.412 108.800 0.202 0.000 4.130 248 G HA2 0.162 4.123 3.960 0.002 0.000 0.162 248 G HA3 0.162 4.123 3.960 0.002 0.000 0.162 248 G C 0.375 175.334 174.900 0.099 0.000 1.099 248 G CA -0.382 44.797 45.100 0.132 0.000 0.889 248 G HN 0.191 nan 8.290 nan 0.000 0.547 249 M N 1.206 120.864 119.600 0.096 0.000 2.216 249 M HA 0.159 4.640 4.480 0.002 0.000 0.317 249 M C 1.055 177.386 176.300 0.051 0.000 1.015 249 M CA 0.891 56.228 55.300 0.062 0.000 1.045 249 M CB 0.417 33.045 32.600 0.046 0.000 1.538 249 M HN 0.237 nan 8.290 nan 0.000 0.440 250 I N 0.795 121.388 120.570 0.038 0.000 4.787 250 I HA 0.114 4.285 4.170 0.002 0.000 0.309 250 I C -1.779 174.352 176.117 0.023 0.000 1.169 250 I CA -0.006 61.313 61.300 0.032 0.000 1.360 250 I CB -1.535 36.486 38.000 0.035 0.000 1.591 250 I HN 0.340 nan 8.210 nan 0.000 0.480 251 P HA 0.099 nan 4.420 nan 0.000 0.260 251 P C -0.502 176.805 177.300 0.012 0.000 1.207 251 P CA 0.781 63.891 63.100 0.016 0.000 0.780 251 P CB 0.125 31.834 31.700 0.016 0.000 0.789 274 A N 1.729 124.581 122.820 0.055 0.000 2.067 274 A HA 0.429 4.750 4.320 0.002 0.000 0.219 274 A C 2.443 180.067 177.584 0.068 0.000 1.158 274 A CA 1.987 54.053 52.037 0.049 0.000 0.661 274 A CB -1.623 17.399 19.000 0.038 0.000 0.801 274 A HN 1.063 nan 8.150 nan 0.000 0.452 275 G N -0.035 108.816 108.800 0.084 0.000 2.562 275 G HA2 -0.143 3.818 3.960 0.002 0.000 0.223 275 G HA3 -0.143 3.818 3.960 0.002 0.000 0.223 275 G C 1.639 176.610 174.900 0.117 0.000 1.102 275 G CA 1.463 46.622 45.100 0.100 0.000 0.742 275 G HN 0.812 nan 8.290 nan 0.000 0.587 276 A N 1.053 123.972 122.820 0.165 0.000 1.908 276 A HA -0.029 4.292 4.320 0.002 0.000 0.218 276 A C 2.357 179.981 177.584 0.067 0.000 1.181 276 A CA 1.410 53.582 52.037 0.225 0.000 0.627 276 A CB -0.373 18.841 19.000 0.357 0.000 0.818 276 A HN 0.436 nan 8.150 nan 0.000 0.445 277 I N -0.611 119.992 120.570 0.057 0.000 2.399 277 I HA -0.226 3.945 4.170 0.002 0.000 0.254 277 I C 2.136 178.325 176.117 0.119 0.000 1.146 277 I CA 1.019 62.352 61.300 0.055 0.000 1.412 277 I CB -0.381 37.633 38.000 0.023 0.000 1.076 277 I HN 0.162 nan 8.210 nan 0.000 0.432 278 V N 0.581 120.524 119.914 0.048 0.000 2.599 278 V HA -0.154 3.967 4.120 0.002 0.000 0.245 278 V C 2.447 178.444 176.094 -0.163 0.000 1.046 278 V CA 1.797 64.091 62.300 -0.009 0.000 1.065 278 V CB -0.161 31.706 31.823 0.073 0.000 0.703 278 V HN 0.528 nan 8.190 nan 0.000 0.464 279 S N 0.126 115.719 115.700 -0.179 0.000 2.465 279 S HA -0.216 4.255 4.470 0.002 0.000 0.241 279 S C 1.683 176.087 174.600 -0.327 0.000 1.000 279 S CA 1.884 59.864 58.200 -0.366 0.000 0.964 279 S CB -0.527 62.259 63.200 -0.690 0.000 0.763 279 S HN 0.715 nan 8.310 nan 0.000 0.512 280 F N 0.833 120.574 119.950 -0.347 0.000 2.480 280 F HA 0.258 4.786 4.527 0.001 0.000 0.280 280 F C 1.897 177.575 175.800 -0.204 0.000 1.002 280 F CA -0.179 57.681 58.000 -0.234 0.000 1.325 280 F CB -0.495 38.415 39.000 -0.151 0.000 1.134 280 F HN 0.132 nan 8.300 nan 0.000 0.646 281 C N 1.899 121.106 119.300 -0.155 0.000 2.434 281 C HA 0.068 4.529 4.460 0.002 0.000 0.298 281 C C 2.705 177.433 174.990 -0.436 0.000 1.495 281 C CA 1.010 59.824 59.018 -0.341 0.000 1.756 281 C CB -2.471 25.264 27.740 -0.009 0.000 1.647 281 C HN 0.645 nan 8.230 nan 0.000 0.579 282 A N 0.246 122.751 122.820 -0.524 0.000 1.881 282 A HA 0.366 4.687 4.320 0.002 0.000 0.210 282 A C 2.296 179.451 177.584 -0.715 0.000 1.239 282 A CA 1.005 52.640 52.037 -0.671 0.000 0.629 282 A CB -0.985 17.486 19.000 -0.881 0.000 0.906 282 A HN 0.475 nan 8.150 nan 0.000 0.460 283 A N -0.065 122.406 122.820 -0.581 0.000 2.178 283 A HA 0.247 4.567 4.320 0.002 0.000 0.218 283 A C 2.194 179.515 177.584 -0.439 0.000 1.157 283 A CA 1.662 53.439 52.037 -0.434 0.000 0.689 283 A CB -0.716 18.158 19.000 -0.209 0.000 0.787 283 A HN 0.969 nan 8.150 nan 0.000 0.465 284 A N -0.541 121.922 122.820 -0.595 0.000 2.014 284 A HA 0.202 4.523 4.320 0.002 0.000 0.218 284 A C 2.261 179.643 177.584 -0.336 0.000 1.163 284 A CA 1.516 53.231 52.037 -0.536 0.000 0.652 284 A CB -0.974 17.594 19.000 -0.719 0.000 0.808 284 A HN 0.650 nan 8.150 nan 0.000 0.449 285 G N -1.056 107.538 108.800 -0.344 0.000 2.448 285 G HA2 -0.154 3.806 3.960 0.002 0.000 0.218 285 G HA3 -0.154 3.806 3.960 0.002 0.000 0.218 285 G C 1.272 176.024 174.900 -0.246 0.000 1.135 285 G CA 1.354 46.294 45.100 -0.265 0.000 0.784 285 G HN 0.553 nan 8.290 nan 0.000 0.543 286 C N -0.034 119.097 119.300 -0.281 0.000 2.696 286 C HA 0.374 4.835 4.460 0.002 0.000 0.264 286 C C 2.460 177.310 174.990 -0.233 0.000 1.288 286 C CA -0.490 58.382 59.018 -0.244 0.000 1.717 286 C CB -1.084 26.515 27.740 -0.236 0.000 1.893 286 C HN 0.448 nan 8.230 nan 0.000 0.577 287 L N 1.728 122.843 121.223 -0.179 0.000 2.044 287 L HA 0.054 4.395 4.340 0.002 0.000 0.205 287 L C 2.491 179.210 176.870 -0.251 0.000 1.075 287 L CA 1.994 56.808 54.840 -0.042 0.000 0.747 287 L CB -0.577 41.514 42.059 0.053 0.000 0.903 287 L HN 0.402 nan 8.230 nan 0.000 0.435 288 G N -1.644 107.034 108.800 -0.202 0.000 2.396 288 G HA2 -0.239 3.722 3.960 0.002 0.000 0.214 288 G HA3 -0.239 3.722 3.960 0.002 0.000 0.214 288 G C 1.602 176.344 174.900 -0.264 0.000 1.166 288 G CA 0.691 45.674 45.100 -0.195 0.000 0.793 288 G HN 0.446 nan 8.290 nan 0.000 0.533 289 S N 0.565 116.131 115.700 -0.224 0.000 2.456 289 S HA -0.183 4.288 4.470 0.002 0.000 0.232 289 S C 2.407 176.902 174.600 -0.174 0.000 1.046 289 S CA 1.629 59.753 58.200 -0.125 0.000 1.175 289 S CB -0.698 62.439 63.200 -0.105 0.000 1.129 289 S HN 0.253 nan 8.310 nan 0.000 0.420 290 L N 0.983 122.001 121.223 -0.342 0.000 2.151 290 L HA -0.172 4.169 4.340 0.002 0.000 0.215 290 L C 2.715 179.407 176.870 -0.297 0.000 1.084 290 L CA 1.561 56.210 54.840 -0.318 0.000 0.764 290 L CB -1.372 40.438 42.059 -0.414 0.000 0.891 290 L HN 0.651 nan 8.230 nan 0.000 0.435 291 G N -0.679 107.797 108.800 -0.540 0.000 2.453 291 G HA2 -0.183 3.778 3.960 0.002 0.000 0.215 291 G HA3 -0.183 3.778 3.960 0.002 0.000 0.215 291 G C 1.536 176.385 174.900 -0.084 0.000 1.201 291 G CA 0.701 45.663 45.100 -0.230 0.000 0.784 291 G HN 0.481 nan 8.290 nan 0.000 0.545 292 G N -0.066 108.672 108.800 -0.103 0.000 2.491 292 G HA2 -0.277 3.684 3.960 0.002 0.000 0.218 292 G HA3 -0.277 3.684 3.960 0.002 0.000 0.218 292 G C 1.634 176.473 174.900 -0.101 0.000 1.180 292 G CA 0.970 46.009 45.100 -0.102 0.000 0.774 292 G HN 0.474 nan 8.290 nan 0.000 0.562 293 W N 1.250 122.474 121.300 -0.125 0.000 2.363 293 W HA -0.045 4.616 4.660 0.001 0.000 0.296 293 W C 3.322 179.780 176.519 -0.102 0.000 1.212 293 W CA 2.321 59.598 57.345 -0.113 0.000 1.260 293 W CB -0.401 28.980 29.460 -0.131 0.000 1.131 293 W HN 0.306 nan 8.180 nan 0.000 0.530 294 T N -1.493 113.134 114.554 0.122 0.000 2.867 294 T HA -0.212 4.139 4.350 0.002 0.000 0.268 294 T C 1.906 176.634 174.700 0.046 0.000 1.057 294 T CA 1.212 63.355 62.100 0.071 0.000 1.136 294 T CB -0.653 68.239 68.868 0.041 0.000 0.874 294 T HN 0.193 nan 8.240 nan 0.000 0.466 295 L N 0.515 121.747 121.223 0.015 0.000 2.042 295 L HA -0.021 4.320 4.340 0.002 0.000 0.210 295 L C 2.506 179.368 176.870 -0.013 0.000 1.076 295 L CA 1.693 56.533 54.840 -0.000 0.000 0.749 295 L CB -0.382 41.660 42.059 -0.029 0.000 0.893 295 L HN 0.384 nan 8.230 nan 0.000 0.432 296 L N -0.604 120.581 121.223 -0.063 0.000 2.156 296 L HA -0.095 4.246 4.340 0.002 0.000 0.208 296 L C 2.653 179.517 176.870 -0.010 0.000 1.095 296 L CA 0.924 55.716 54.840 -0.081 0.000 0.770 296 L CB -0.887 41.029 42.059 -0.239 0.000 0.914 296 L HN 0.254 nan 8.230 nan 0.000 0.439 297 A N 0.402 123.245 122.820 0.037 0.000 2.167 297 A HA 0.101 4.422 4.320 0.002 0.000 0.214 297 A C 2.278 180.036 177.584 0.289 0.000 1.151 297 A CA 1.109 53.250 52.037 0.173 0.000 0.735 297 A CB -0.632 18.406 19.000 0.064 0.000 0.802 297 A HN 0.416 nan 8.150 nan 0.000 0.467 298 G N -1.164 107.720 108.800 0.140 0.000 2.408 298 G HA2 -0.058 3.903 3.960 0.002 0.000 0.213 298 G HA3 -0.058 3.903 3.960 0.002 0.000 0.213 298 G C 1.550 176.473 174.900 0.037 0.000 1.177 298 G CA 0.521 45.682 45.100 0.102 0.000 0.802 298 G HN 0.395 nan 8.290 nan 0.000 0.533 299 Q N 0.676 120.496 119.800 0.033 0.000 1.990 299 Q HA -0.058 4.283 4.340 0.002 0.000 0.200 299 Q C 1.860 177.860 176.000 0.000 0.000 0.980 299 Q CA 1.238 57.048 55.803 0.011 0.000 0.832 299 Q CB -1.174 27.573 28.738 0.015 0.000 0.897 299 Q HN 0.301 nan 8.270 nan 0.000 0.427 300 T N 1.041 115.627 114.554 0.054 0.000 3.802 300 T HA 0.331 4.681 4.350 0.002 0.000 0.243 300 T C 0.562 175.254 174.700 -0.014 0.000 0.934 300 T CA 0.531 62.675 62.100 0.074 0.000 0.931 300 T CB -0.289 68.769 68.868 0.316 0.000 1.167 300 T HN 0.383 nan 8.240 nan 0.000 0.655 301 A N 0.616 123.356 122.820 -0.132 0.000 1.461 301 A HA 0.249 4.570 4.320 0.002 0.000 0.209 301 A C 1.524 178.901 177.584 -0.345 0.000 1.769 301 A CA -0.368 51.522 52.037 -0.245 0.000 1.456 301 A CB -0.177 18.519 19.000 -0.506 0.000 1.363 301 A HN 0.237 nan 8.150 nan 0.000 0.395 302 K N 1.906 122.090 120.400 -0.361 0.000 2.360 302 K HA 0.216 4.537 4.320 0.002 0.000 0.201 302 K C 1.737 178.263 176.600 -0.124 0.000 1.046 302 K CA 1.280 57.417 56.287 -0.251 0.000 0.945 302 K CB -0.751 31.684 32.500 -0.108 0.000 0.750 302 K HN 0.560 nan 8.250 nan 0.000 0.464 303 A N 1.151 123.899 122.820 -0.120 0.000 1.822 303 A HA 0.020 4.341 4.320 0.002 0.000 0.214 303 A C 2.299 179.832 177.584 -0.086 0.000 1.245 303 A CA 1.742 53.738 52.037 -0.069 0.000 0.608 303 A CB -1.361 17.609 19.000 -0.050 0.000 0.896 303 A HN 0.233 nan 8.150 nan 0.000 0.457 304 A N -0.482 122.174 122.820 -0.274 0.000 2.159 304 A HA 0.019 4.340 4.320 0.002 0.000 0.222 304 A C 2.241 179.760 177.584 -0.108 0.000 1.163 304 A CA 2.312 54.147 52.037 -0.337 0.000 0.664 304 A CB -0.990 17.424 19.000 -0.977 0.000 0.803 304 A HN 1.293 nan 8.150 nan 0.000 0.470 305 A N -0.949 121.831 122.820 -0.067 0.000 2.066 305 A HA -0.032 4.289 4.320 0.002 0.000 0.218 305 A C 1.650 179.236 177.584 0.003 0.000 1.157 305 A CA 1.463 53.498 52.037 -0.003 0.000 0.670 305 A CB -0.197 18.778 19.000 -0.043 0.000 0.804 305 A HN 0.541 nan 8.150 nan 0.000 0.453 306 D N -0.060 120.346 120.400 0.010 0.000 2.397 306 D HA -0.054 4.587 4.640 0.002 0.000 0.262 306 D C 1.057 177.397 176.300 0.067 0.000 1.323 306 D CA 0.619 54.639 54.000 0.033 0.000 0.999 306 D CB -0.645 40.177 40.800 0.036 0.000 0.971 306 D HN 0.149 nan 8.370 nan 0.000 0.338 307 D N 0.261 120.729 120.400 0.113 0.000 3.048 307 D HA -0.208 4.433 4.640 0.002 0.000 0.192 307 D C 1.395 177.793 176.300 0.163 0.000 1.125 307 D CA 2.193 56.286 54.000 0.155 0.000 0.878 307 D CB -0.208 40.745 40.800 0.255 0.000 0.924 307 D HN 0.415 nan 8.370 nan 0.000 0.496 308 G N -1.506 107.413 108.800 0.198 0.000 3.009 308 G HA2 0.505 4.466 3.960 0.002 0.000 0.183 308 G HA3 0.505 4.466 3.960 0.002 0.000 0.183 308 G C -0.514 174.324 174.900 -0.103 0.000 1.613 308 G CA -0.262 44.910 45.100 0.118 0.000 0.910 308 G HN 0.161 nan 8.290 nan 0.000 0.785 309 L N -1.070 119.876 121.223 -0.462 0.000 2.303 309 L HA 0.693 5.034 4.340 0.002 0.000 0.256 309 L C -0.122 176.464 176.870 -0.474 0.000 1.034 309 L CA -0.715 53.835 54.840 -0.484 0.000 0.832 309 L CB 2.922 44.660 42.059 -0.535 0.000 1.403 309 L HN 0.460 nan 8.230 nan 0.000 0.419 310 F N -0.350 119.365 119.950 -0.392 0.000 2.212 310 F HA 0.380 4.908 4.527 0.001 0.000 0.262 310 F C -1.654 173.970 175.800 -0.294 0.000 0.906 310 F CA -0.198 57.604 58.000 -0.330 0.000 1.127 310 F CB 0.394 39.221 39.000 -0.288 0.000 1.178 310 F HN 0.304 nan 8.300 nan 0.000 0.779 311 P HA 0.315 nan 4.420 nan 0.000 0.274 311 P C -2.769 174.580 177.300 0.081 0.000 1.237 311 P CA -1.008 62.106 63.100 0.024 0.000 0.793 311 P CB 0.843 32.508 31.700 -0.059 0.000 0.977 312 P HA 0.564 nan 4.420 nan 0.000 0.324 312 P C -0.571 176.714 177.300 -0.024 0.000 1.409 312 P CA -0.526 62.612 63.100 0.063 0.000 1.240 312 P CB 1.717 33.483 31.700 0.110 0.000 1.872 313 I N -2.167 118.366 120.570 -0.062 0.000 5.419 313 I HA -0.260 3.911 4.170 0.002 0.000 0.310 313 I C 0.163 176.322 176.117 0.070 0.000 2.857 313 I CA -0.219 60.999 61.300 -0.137 0.000 1.435 313 I CB -1.222 36.523 38.000 -0.425 0.000 3.110 313 I HN 0.456 nan 8.210 nan 0.000 0.587 314 F N 1.779 121.608 119.950 -0.202 0.000 2.332 314 F HA 0.249 4.777 4.527 0.002 0.000 0.390 314 F C 1.281 177.002 175.800 -0.131 0.000 1.004 314 F CA -0.419 57.481 58.000 -0.167 0.000 0.990 314 F CB -1.121 37.753 39.000 -0.209 0.000 0.867 314 F HN 1.007 nan 8.300 nan 0.000 0.519 315 A N 3.210 126.093 122.820 0.105 0.000 6.152 315 A HA -0.295 4.026 4.320 0.002 0.000 0.308 315 A C 1.483 179.116 177.584 0.081 0.000 1.919 315 A CA 1.147 53.227 52.037 0.071 0.000 0.811 315 A CB -0.484 18.539 19.000 0.039 0.000 1.220 315 A HN 0.852 nan 8.150 nan 0.000 0.409 316 R N -1.006 119.513 120.500 0.032 0.000 2.276 316 R HA 0.288 4.629 4.340 0.002 0.000 0.196 316 R C 0.481 176.791 176.300 0.016 0.000 0.961 316 R CA 0.958 57.065 56.100 0.012 0.000 1.024 316 R CB -0.496 29.797 30.300 -0.011 0.000 0.940 316 R HN 1.512 nan 8.270 nan 0.000 0.480 317 V N 1.661 121.590 119.914 0.026 0.000 6.301 317 V HA -0.221 3.900 4.120 0.002 0.000 0.312 317 V C -0.504 175.601 176.094 0.018 0.000 0.521 317 V CA -0.095 62.221 62.300 0.026 0.000 0.823 317 V CB -2.329 29.508 31.823 0.024 0.000 0.764 317 V HN 0.366 nan 8.190 nan 0.000 0.613 318 N N 2.866 121.577 118.700 0.017 0.000 2.256 318 N HA 0.088 4.829 4.740 0.002 0.000 0.277 318 N C 0.548 176.065 175.510 0.012 0.000 1.362 318 N CA 0.797 53.854 53.050 0.012 0.000 0.861 318 N CB 0.253 38.749 38.487 0.014 0.000 1.136 318 N HN 0.723 nan 8.380 nan 0.000 0.492 319 K N 2.334 122.737 120.400 0.005 0.000 2.609 319 K HA -0.042 4.279 4.320 0.002 0.000 0.274 319 K C 0.757 177.358 176.600 0.003 0.000 0.977 319 K CA 0.939 57.227 56.287 0.002 0.000 1.008 319 K CB 0.061 32.558 32.500 -0.005 0.000 0.843 319 K HN 0.686 nan 8.250 nan 0.000 0.504 320 A N 0.421 123.243 122.820 0.003 0.000 3.009 320 A HA 0.012 4.333 4.320 0.002 0.000 0.264 320 A C 0.751 178.357 177.584 0.036 0.000 1.408 320 A CA 1.021 53.061 52.037 0.004 0.000 0.789 320 A CB -2.352 16.629 19.000 -0.032 0.000 1.040 320 A HN 1.932 nan 8.150 nan 0.000 0.576 321 G N -1.994 106.828 108.800 0.037 0.000 2.660 321 G HA2 0.404 4.365 3.960 0.002 0.000 0.215 321 G HA3 0.404 4.365 3.960 0.002 0.000 0.215 321 G C 0.511 175.440 174.900 0.049 0.000 1.345 321 G CA 1.410 46.539 45.100 0.048 0.000 0.877 321 G HN 3.011 nan 8.290 nan 0.000 0.549 322 T N -3.609 110.977 114.554 0.054 0.000 0.541 322 T HA 0.086 4.437 4.350 0.002 0.000 0.774 322 T C -2.505 172.225 174.700 0.050 0.000 0.992 322 T CA 1.046 63.179 62.100 0.055 0.000 4.077 322 T CB -0.781 68.125 68.868 0.063 0.000 2.303 322 T HN 1.538 nan 8.240 nan 0.000 0.398 323 P HA 0.591 nan 4.420 nan 0.000 0.195 323 P C 1.268 178.609 177.300 0.068 0.000 1.887 323 P CA -0.697 62.442 63.100 0.065 0.000 1.161 323 P CB 1.088 32.840 31.700 0.085 0.000 1.759 324 V N 2.400 122.345 119.914 0.053 0.000 2.257 324 V HA -0.406 3.715 4.120 0.002 0.000 0.257 324 V C 2.439 178.561 176.094 0.048 0.000 1.077 324 V CA 3.080 65.411 62.300 0.051 0.000 1.063 324 V CB -1.128 30.716 31.823 0.034 0.000 0.664 324 V HN 0.442 nan 8.190 nan 0.000 0.450 325 A N -0.562 122.274 122.820 0.027 0.000 1.883 325 A HA -0.128 4.193 4.320 0.002 0.000 0.217 325 A C 2.330 179.922 177.584 0.013 0.000 1.186 325 A CA 2.282 54.311 52.037 -0.014 0.000 0.624 325 A CB -1.359 17.602 19.000 -0.065 0.000 0.822 325 A HN 0.628 nan 8.150 nan 0.000 0.444 326 G N 0.018 108.888 108.800 0.116 0.000 2.604 326 G HA2 -0.137 3.824 3.960 0.002 0.000 0.216 326 G HA3 -0.137 3.824 3.960 0.002 0.000 0.216 326 G C 1.341 176.349 174.900 0.180 0.000 1.265 326 G CA 1.297 46.559 45.100 0.270 0.000 0.804 326 G HN 0.386 nan 8.290 nan 0.000 0.579 327 L N 0.606 121.904 121.223 0.124 0.000 2.081 327 L HA -0.020 4.321 4.340 0.002 0.000 0.212 327 L C 2.738 179.621 176.870 0.021 0.000 1.080 327 L CA 0.945 55.828 54.840 0.071 0.000 0.754 327 L CB -0.624 41.473 42.059 0.063 0.000 0.893 327 L HN 0.198 nan 8.230 nan 0.000 0.433 328 I N -0.681 119.933 120.570 0.072 0.000 2.454 328 I HA -0.286 3.885 4.170 0.002 0.000 0.254 328 I C 2.133 178.292 176.117 0.069 0.000 1.156 328 I CA 1.065 62.442 61.300 0.128 0.000 1.433 328 I CB -0.113 37.972 38.000 0.142 0.000 1.082 328 I HN 0.231 nan 8.210 nan 0.000 0.432 329 I N -0.844 119.726 120.570 0.000 0.000 2.584 329 I HA -0.134 4.037 4.170 0.002 0.000 0.255 329 I C 2.307 178.354 176.117 -0.116 0.000 1.145 329 I CA 0.710 61.975 61.300 -0.058 0.000 1.462 329 I CB -0.448 37.477 38.000 -0.125 0.000 1.102 329 I HN 0.008 nan 8.210 nan 0.000 0.433 330 V N 1.671 121.530 119.914 -0.092 0.000 2.626 330 V HA -0.127 3.994 4.120 0.002 0.000 0.252 330 V C 2.620 178.476 176.094 -0.398 0.000 1.067 330 V CA 1.887 64.036 62.300 -0.252 0.000 1.081 330 V CB -1.370 30.386 31.823 -0.112 0.000 0.686 330 V HN 0.528 nan 8.190 nan 0.000 0.468 331 G N 0.661 109.180 108.800 -0.468 0.000 2.505 331 G HA2 -0.192 3.768 3.960 0.002 0.000 0.214 331 G HA3 -0.192 3.768 3.960 0.002 0.000 0.214 331 G C 1.520 176.210 174.900 -0.350 0.000 1.237 331 G CA 1.075 45.580 45.100 -0.992 0.000 0.802 331 G HN 0.453 nan 8.290 nan 0.000 0.549 332 I N 0.332 120.953 120.570 0.084 0.000 2.113 332 I HA -0.225 3.946 4.170 0.002 0.000 0.242 332 I C 2.690 178.797 176.117 -0.017 0.000 1.057 332 I CA 0.804 62.201 61.300 0.161 0.000 1.314 332 I CB -0.476 37.575 38.000 0.085 0.000 1.022 332 I HN 0.085 nan 8.210 nan 0.000 0.408 333 L N 0.171 121.276 121.223 -0.197 0.000 1.955 333 L HA -0.247 4.094 4.340 0.002 0.000 0.213 333 L C 2.604 179.333 176.870 -0.235 0.000 1.072 333 L CA 2.119 56.752 54.840 -0.344 0.000 0.755 333 L CB -0.890 40.678 42.059 -0.820 0.000 0.888 333 L HN 0.311 nan 8.230 nan 0.000 0.432 334 M N -1.061 118.343 119.600 -0.327 0.000 2.108 334 M HA -0.277 4.204 4.480 0.002 0.000 0.257 334 M C 1.985 178.311 176.300 0.043 0.000 1.071 334 M CA 2.378 57.631 55.300 -0.078 0.000 1.093 334 M CB -0.190 32.303 32.600 -0.178 0.000 1.345 334 M HN 0.311 nan 8.290 nan 0.000 0.403 335 T N 0.929 115.481 114.554 -0.004 0.000 2.520 335 T HA -0.202 4.149 4.350 0.002 0.000 0.258 335 T C 1.580 176.352 174.700 0.120 0.000 1.125 335 T CA 2.136 64.297 62.100 0.102 0.000 1.206 335 T CB -0.679 68.325 68.868 0.227 0.000 0.864 335 T HN 0.424 nan 8.240 nan 0.000 0.400 336 I N 0.499 121.139 120.570 0.117 0.000 2.210 336 I HA -0.308 3.863 4.170 0.002 0.000 0.249 336 I C 2.127 178.360 176.117 0.194 0.000 1.047 336 I CA 1.834 63.211 61.300 0.128 0.000 1.323 336 I CB -0.560 37.505 38.000 0.109 0.000 1.017 336 I HN 0.157 nan 8.210 nan 0.000 0.427 337 F N 1.178 121.180 119.950 0.086 0.000 2.098 337 F HA -0.180 4.348 4.527 0.001 0.000 0.294 337 F C 2.658 178.497 175.800 0.065 0.000 1.107 337 F CA 1.605 59.662 58.000 0.095 0.000 1.234 337 F CB -0.693 38.401 39.000 0.156 0.000 1.002 337 F HN -0.010 nan 8.300 nan 0.000 0.472 338 Q N 0.934 120.752 119.800 0.030 0.000 2.224 338 Q HA -0.209 4.132 4.340 0.002 0.000 0.213 338 Q C 1.081 177.000 176.000 -0.134 0.000 0.998 338 Q CA 1.989 57.738 55.803 -0.091 0.000 0.895 338 Q CB -0.830 27.918 28.738 0.017 0.000 0.926 338 Q HN 0.596 nan 8.270 nan 0.000 0.417 339 L N -2.263 118.922 121.223 -0.064 0.000 2.956 339 L HA 0.407 4.748 4.340 0.002 0.000 0.232 339 L C 0.518 177.350 176.870 -0.064 0.000 1.291 339 L CA -0.071 54.737 54.840 -0.054 0.000 1.122 339 L CB 0.934 42.991 42.059 -0.003 0.000 1.461 339 L HN -0.190 nan 8.230 nan 0.000 0.470 340 S N -1.969 113.641 115.700 -0.150 0.000 2.227 340 S HA -0.009 4.462 4.470 0.002 0.000 0.267 340 S C 0.942 175.401 174.600 -0.235 0.000 0.987 340 S CA 0.097 58.225 58.200 -0.120 0.000 1.448 340 S CB 0.311 63.496 63.200 -0.026 0.000 1.118 340 S HN 0.418 nan 8.310 nan 0.000 0.555 341 S N 1.952 117.355 115.700 -0.495 0.000 2.699 341 S HA 0.388 4.859 4.470 0.002 0.000 0.251 341 S C 1.209 175.647 174.600 -0.271 0.000 1.179 341 S CA -0.319 57.586 58.200 -0.492 0.000 1.200 341 S CB -0.916 61.710 63.200 -0.957 0.000 0.848 341 S HN 0.384 nan 8.310 nan 0.000 0.472 342 I N 0.721 121.187 120.570 -0.173 0.000 2.099 342 I HA -0.131 4.040 4.170 0.002 0.000 0.239 342 I C 0.870 176.945 176.117 -0.070 0.000 1.066 342 I CA 0.781 62.021 61.300 -0.101 0.000 1.324 342 I CB -0.195 37.767 38.000 -0.064 0.000 1.037 342 I HN 0.417 nan 8.210 nan 0.000 0.401 343 S N -1.652 114.015 115.700 -0.055 0.000 3.260 343 S HA -0.041 4.430 4.470 0.002 0.000 0.791 343 S C -2.417 172.149 174.600 -0.055 0.000 0.945 343 S CA -1.110 57.059 58.200 -0.052 0.000 1.263 343 S CB -0.914 62.252 63.200 -0.057 0.000 0.870 343 S HN -0.012 nan 8.310 nan 0.000 0.273 344 P HA 0.401 nan 4.420 nan 0.000 0.271 344 P C 0.606 177.896 177.300 -0.017 0.000 1.238 344 P CA 0.334 63.425 63.100 -0.013 0.000 0.794 344 P CB 0.261 31.961 31.700 0.000 0.000 0.959 345 N N -0.823 117.887 118.700 0.016 0.000 3.647 345 N HA 0.034 4.775 4.740 0.002 0.000 0.117 345 N C -1.301 174.249 175.510 0.067 0.000 0.981 345 N CA 0.873 53.952 53.050 0.049 0.000 3.222 345 N CB -1.256 37.256 38.487 0.042 0.000 1.203 345 N HN 0.571 nan 8.380 nan 0.000 0.847 346 A N 0.118 122.971 122.820 0.054 0.000 1.937 346 A HA -0.055 4.266 4.320 0.002 0.000 0.245 346 A C 0.809 178.431 177.584 0.063 0.000 1.310 346 A CA 0.856 52.932 52.037 0.066 0.000 0.668 346 A CB -2.298 16.760 19.000 0.097 0.000 1.247 346 A HN 1.388 nan 8.150 nan 0.000 0.260 347 T N -0.400 114.181 114.554 0.044 0.000 3.928 347 T HA 0.450 4.801 4.350 0.002 0.000 0.247 347 T C 0.407 175.132 174.700 0.043 0.000 0.955 347 T CA 1.423 63.541 62.100 0.030 0.000 0.935 347 T CB -0.728 68.150 68.868 0.018 0.000 1.180 347 T HN 0.952 nan 8.240 nan 0.000 0.660 348 K N -0.543 119.897 120.400 0.068 0.000 3.417 348 K HA 0.160 4.481 4.320 0.002 0.000 0.375 348 K C -0.854 175.819 176.600 0.122 0.000 1.013 348 K CA -1.069 55.266 56.287 0.080 0.000 0.769 348 K CB 0.894 33.445 32.500 0.084 0.000 1.443 348 K HN 0.302 nan 8.250 nan 0.000 0.474 349 E N 0.179 120.458 120.200 0.133 0.000 2.516 349 E HA -0.089 4.262 4.350 0.002 0.000 0.270 349 E C -0.546 176.256 176.600 0.337 0.000 1.130 349 E CA 1.005 57.502 56.400 0.161 0.000 1.023 349 E CB -0.090 29.682 29.700 0.119 0.000 1.004 349 E HN 0.459 nan 8.360 nan 0.000 0.463 350 F N -0.838 119.286 119.950 0.291 0.000 3.018 350 F HA -0.179 4.349 4.527 0.002 0.000 0.287 350 F C 1.422 177.280 175.800 0.096 0.000 0.813 350 F CA 0.788 58.894 58.000 0.175 0.000 1.209 350 F CB -1.750 37.297 39.000 0.080 0.000 1.321 350 F HN 0.688 nan 8.300 nan 0.000 0.477 351 G N -0.032 108.901 108.800 0.221 0.000 2.959 351 G HA2 0.127 4.088 3.960 0.002 0.000 0.203 351 G HA3 0.127 4.088 3.960 0.002 0.000 0.203 351 G C 1.348 176.324 174.900 0.126 0.000 1.176 351 G CA 0.539 45.733 45.100 0.156 0.000 0.860 351 G HN 0.630 nan 8.290 nan 0.000 0.507 352 L N -2.603 118.705 121.223 0.142 0.000 4.839 352 L HA -0.294 4.047 4.340 0.002 0.000 0.445 352 L C 1.214 178.091 176.870 0.010 0.000 1.101 352 L CA 0.985 55.886 54.840 0.101 0.000 0.952 352 L CB -0.757 41.360 42.059 0.096 0.000 1.871 352 L HN 0.257 nan 8.230 nan 0.000 0.893 353 V N -4.530 115.392 119.914 0.014 0.000 3.188 353 V HA 0.011 4.131 4.120 0.002 0.000 0.258 353 V C 1.439 177.502 176.094 -0.053 0.000 1.702 353 V CA 0.784 63.047 62.300 -0.063 0.000 1.020 353 V CB 0.922 32.724 31.823 -0.034 0.000 0.884 353 V HN 0.305 nan 8.190 nan 0.000 0.399 354 S N 1.752 117.471 115.700 0.031 0.000 2.446 354 S HA -0.101 4.370 4.470 0.002 0.000 0.225 354 S C 2.056 176.634 174.600 -0.037 0.000 1.016 354 S CA 1.866 60.069 58.200 0.005 0.000 0.943 354 S CB -0.002 63.225 63.200 0.045 0.000 0.786 354 S HN 0.759 nan 8.310 nan 0.000 0.508 355 S N 0.788 116.497 115.700 0.015 0.000 2.439 355 S HA 0.073 4.544 4.470 0.002 0.000 0.224 355 S C 1.755 176.328 174.600 -0.046 0.000 1.029 355 S CA 0.773 59.006 58.200 0.056 0.000 0.946 355 S CB -0.672 62.602 63.200 0.124 0.000 0.797 355 S HN 0.350 nan 8.310 nan 0.000 0.504 356 V N 3.554 123.380 119.914 -0.147 0.000 2.490 356 V HA -0.137 3.984 4.120 0.002 0.000 0.250 356 V C 2.964 178.669 176.094 -0.650 0.000 1.061 356 V CA 1.808 63.861 62.300 -0.411 0.000 1.064 356 V CB -1.457 30.117 31.823 -0.416 0.000 0.670 356 V HN 0.798 nan 8.190 nan 0.000 0.461 357 S N -0.841 114.691 115.700 -0.280 0.000 2.547 357 S HA -0.033 4.438 4.470 0.002 0.000 0.235 357 S C 1.618 176.233 174.600 0.024 0.000 0.980 357 S CA 1.137 59.328 58.200 -0.016 0.000 0.941 357 S CB 0.084 63.202 63.200 -0.137 0.000 0.763 357 S HN 0.341 nan 8.310 nan 0.000 0.532 358 V N 1.108 121.002 119.914 -0.034 0.000 2.581 358 V HA 0.180 4.301 4.120 0.002 0.000 0.240 358 V C 2.283 178.458 176.094 0.135 0.000 1.054 358 V CA 0.797 63.135 62.300 0.064 0.000 1.076 358 V CB -0.398 31.462 31.823 0.062 0.000 0.748 358 V HN 0.435 nan 8.190 nan 0.000 0.474 359 I N -0.264 120.333 120.570 0.046 0.000 2.194 359 I HA -0.280 3.891 4.170 0.002 0.000 0.246 359 I C 2.384 178.599 176.117 0.163 0.000 1.093 359 I CA 1.716 63.056 61.300 0.067 0.000 1.355 359 I CB -0.472 37.506 38.000 -0.036 0.000 1.046 359 I HN 0.222 nan 8.210 nan 0.000 0.413 360 F N 1.333 121.351 119.950 0.113 0.000 2.087 360 F HA -0.325 4.203 4.527 0.001 0.000 0.299 360 F C 3.027 178.915 175.800 0.146 0.000 1.100 360 F CA 2.024 60.088 58.000 0.107 0.000 1.226 360 F CB -1.760 37.282 39.000 0.071 0.000 0.983 360 F HN 0.234 nan 8.300 nan 0.000 0.479 361 T N -1.738 113.062 114.554 0.411 0.000 3.051 361 T HA -0.096 4.255 4.350 0.002 0.000 0.269 361 T C 1.950 176.829 174.700 0.299 0.000 1.127 361 T CA 0.661 62.981 62.100 0.366 0.000 1.107 361 T CB -0.341 68.810 68.868 0.472 0.000 0.898 361 T HN 0.007 nan 8.240 nan 0.000 0.517 362 L N 1.112 122.551 121.223 0.360 0.000 2.027 362 L HA 0.071 4.412 4.340 0.002 0.000 0.206 362 L C 2.960 179.942 176.870 0.186 0.000 1.074 362 L CA 0.982 56.051 54.840 0.383 0.000 0.745 362 L CB -1.506 40.714 42.059 0.268 0.000 0.898 362 L HN 0.218 nan 8.230 nan 0.000 0.433 363 V N 0.673 120.632 119.914 0.076 0.000 2.317 363 V HA -0.235 3.886 4.120 0.002 0.000 0.251 363 V C -0.101 175.846 176.094 -0.245 0.000 1.065 363 V CA 2.075 64.286 62.300 -0.148 0.000 1.049 363 V CB -1.674 30.087 31.823 -0.103 0.000 0.651 363 V HN 0.310 nan 8.190 nan 0.000 0.450 364 P HA -0.112 nan 4.420 nan 0.000 0.217 364 P C 1.360 178.616 177.300 -0.073 0.000 1.150 364 P CA 1.331 64.358 63.100 -0.121 0.000 0.832 364 P CB -0.104 31.400 31.700 -0.327 0.000 0.787 365 Y N -0.738 119.591 120.300 0.049 0.000 2.145 365 Y HA -0.147 4.404 4.550 0.002 0.000 0.286 365 Y C 2.444 178.317 175.900 -0.045 0.000 1.145 365 Y CA 0.906 59.065 58.100 0.098 0.000 1.148 365 Y CB -1.360 37.161 38.460 0.102 0.000 0.981 365 Y HN -0.142 nan 8.280 nan 0.000 0.507 366 L N -0.751 120.508 121.223 0.060 0.000 2.013 366 L HA -0.327 4.014 4.340 0.002 0.000 0.212 366 L C 1.994 178.845 176.870 -0.032 0.000 1.073 366 L CA 2.222 57.019 54.840 -0.072 0.000 0.753 366 L CB -0.841 41.160 42.059 -0.097 0.000 0.890 366 L HN 0.403 nan 8.230 nan 0.000 0.432 367 Y N -0.786 119.523 120.300 0.015 0.000 2.373 367 Y HA -0.190 4.361 4.550 0.001 0.000 0.293 367 Y C 2.654 178.522 175.900 -0.053 0.000 1.129 367 Y CA 0.871 58.975 58.100 0.006 0.000 1.226 367 Y CB -0.201 38.269 38.460 0.016 0.000 1.000 367 Y HN 0.204 nan 8.280 nan 0.000 0.549 368 T N -0.592 113.988 114.554 0.043 0.000 2.746 368 T HA -0.214 4.137 4.350 0.002 0.000 0.267 368 T C 1.981 176.530 174.700 -0.252 0.000 1.039 368 T CA 1.435 63.429 62.100 -0.175 0.000 1.142 368 T CB -0.632 67.911 68.868 -0.541 0.000 0.866 368 T HN 0.442 nan 8.240 nan 0.000 0.444 369 C N 1.521 120.665 119.300 -0.260 0.000 2.432 369 C HA 0.071 4.532 4.460 0.002 0.000 0.277 369 C C 3.170 178.091 174.990 -0.115 0.000 1.249 369 C CA 0.308 59.098 59.018 -0.380 0.000 1.725 369 C CB -1.449 25.703 27.740 -0.980 0.000 2.028 369 C HN 0.657 nan 8.230 nan 0.000 0.477 370 A N 0.868 123.719 122.820 0.050 0.000 1.873 370 A HA -0.077 4.244 4.320 0.002 0.000 0.218 370 A C 2.398 180.046 177.584 0.107 0.000 1.193 370 A CA 2.553 54.733 52.037 0.238 0.000 0.629 370 A CB -1.163 17.999 19.000 0.271 0.000 0.826 370 A HN 0.611 nan 8.150 nan 0.000 0.447 371 A N -0.720 122.120 122.820 0.034 0.000 1.908 371 A HA -0.064 4.257 4.320 0.002 0.000 0.218 371 A C 1.912 179.457 177.584 -0.065 0.000 1.181 371 A CA 1.685 53.715 52.037 -0.012 0.000 0.627 371 A CB -0.641 18.354 19.000 -0.009 0.000 0.818 371 A HN 0.940 nan 8.150 nan 0.000 0.445 372 L N -1.036 120.103 121.223 -0.140 0.000 2.784 372 L HA 0.102 4.443 4.340 0.002 0.000 0.247 372 L C 1.099 177.961 176.870 -0.014 0.000 1.162 372 L CA 1.031 55.764 54.840 -0.177 0.000 0.881 372 L CB -0.509 41.398 42.059 -0.253 0.000 1.032 372 L HN 0.392 nan 8.230 nan 0.000 0.446 373 L N -2.893 118.369 121.223 0.066 0.000 2.775 373 L HA 0.126 4.467 4.340 0.002 0.000 0.175 373 L C 1.315 178.247 176.870 0.103 0.000 1.110 373 L CA -0.165 54.770 54.840 0.159 0.000 0.862 373 L CB -0.282 41.873 42.059 0.160 0.000 1.381 373 L HN -0.082 nan 8.230 nan 0.000 0.499 374 L N 1.050 122.298 121.223 0.040 0.000 2.784 374 L HA -0.074 4.267 4.340 0.002 0.000 0.247 374 L C 1.383 178.285 176.870 0.053 0.000 1.162 374 L CA 1.298 56.115 54.840 -0.037 0.000 0.881 374 L CB -0.692 41.328 42.059 -0.065 0.000 1.032 374 L HN 0.260 nan 8.230 nan 0.000 0.446 375 L N -2.022 119.268 121.223 0.111 0.000 2.948 375 L HA 0.292 4.633 4.340 0.002 0.000 0.259 375 L C 1.853 178.838 176.870 0.192 0.000 1.136 375 L CA 0.246 55.195 54.840 0.182 0.000 0.959 375 L CB -0.061 42.055 42.059 0.096 0.000 1.370 375 L HN 0.224 nan 8.230 nan 0.000 0.552 376 G N -1.133 107.752 108.800 0.142 0.000 3.375 376 G HA2 -0.044 3.917 3.960 0.002 0.000 0.247 376 G HA3 -0.044 3.917 3.960 0.002 0.000 0.247 376 G C 0.857 175.939 174.900 0.304 0.000 1.343 376 G CA -0.226 45.023 45.100 0.248 0.000 1.368 376 G HN 0.283 nan 8.290 nan 0.000 0.549 377 H N 0.839 119.948 119.070 0.065 0.000 1.775 377 H HA -0.243 4.313 4.556 0.001 0.000 0.150 377 H C 1.749 177.082 175.328 0.008 0.000 1.123 377 H CA 1.867 57.922 56.048 0.012 0.000 1.756 377 H CB -0.232 29.502 29.762 -0.047 0.000 2.108 377 H HN 0.411 nan 8.280 nan 0.000 0.911 378 G N -0.217 108.658 108.800 0.125 0.000 2.319 378 G HA2 0.232 4.193 3.960 0.002 0.000 0.308 378 G HA3 0.232 4.193 3.960 0.002 0.000 0.308 378 G C -0.952 173.990 174.900 0.071 0.000 1.117 378 G CA -0.411 44.718 45.100 0.049 0.000 0.903 378 G HN 0.495 nan 8.290 nan 0.000 0.436 379 H N 1.471 120.548 119.070 0.010 0.000 3.173 379 H HA -0.136 4.421 4.556 0.001 0.000 0.311 379 H C 0.134 175.477 175.328 0.025 0.000 0.972 379 H CA 0.389 56.479 56.048 0.071 0.000 1.384 379 H CB 0.834 30.700 29.762 0.173 0.000 1.349 379 H HN 0.468 nan 8.280 nan 0.000 0.582 380 F N 2.326 122.348 119.950 0.120 0.000 2.706 380 F HA 0.084 4.612 4.527 0.001 0.000 0.315 380 F C 1.206 177.087 175.800 0.135 0.000 1.286 380 F CA 0.443 58.496 58.000 0.088 0.000 1.424 380 F CB 0.060 39.078 39.000 0.031 0.000 1.262 380 F HN 0.529 nan 8.300 nan 0.000 0.547 381 G N 0.646 109.632 108.800 0.309 0.000 2.378 381 G HA2 0.224 4.185 3.960 0.002 0.000 0.306 381 G HA3 0.224 4.185 3.960 0.002 0.000 0.306 381 G C -0.862 174.188 174.900 0.250 0.000 1.413 381 G CA -1.113 44.161 45.100 0.290 0.000 1.123 381 G HN 0.085 nan 8.290 nan 0.000 0.587 382 K N 1.130 121.608 120.400 0.130 0.000 2.284 382 K HA 0.604 4.925 4.320 0.002 0.000 0.243 382 K C 1.184 177.786 176.600 0.003 0.000 1.075 382 K CA 0.346 56.669 56.287 0.060 0.000 0.868 382 K CB 0.323 32.843 32.500 0.033 0.000 1.157 382 K HN 1.887 nan 8.250 nan 0.000 0.512 383 A N 0.998 123.799 122.820 -0.032 0.000 2.303 383 A HA -0.214 4.107 4.320 0.002 0.000 0.286 383 A C 1.204 178.713 177.584 -0.124 0.000 1.429 383 A CA 1.436 53.428 52.037 -0.076 0.000 0.738 383 A CB -1.549 17.398 19.000 -0.089 0.000 1.149 383 A HN 0.839 nan 8.150 nan 0.000 0.364 384 R N 0.418 120.858 120.500 -0.099 0.000 2.100 384 R HA 0.007 4.347 4.340 0.002 0.000 0.220 384 R C -0.912 175.328 176.300 -0.101 0.000 1.091 384 R CA 1.178 57.203 56.100 -0.126 0.000 0.986 384 R CB -0.768 29.434 30.300 -0.163 0.000 0.888 384 R HN 0.472 nan 8.270 nan 0.000 0.444 385 P HA -0.158 nan 4.420 nan 0.000 0.220 385 P C 0.634 177.908 177.300 -0.043 0.000 1.142 385 P CA 1.971 65.038 63.100 -0.055 0.000 0.801 385 P CB -0.053 31.617 31.700 -0.051 0.000 0.764 386 A N -1.483 121.291 122.820 -0.077 0.000 1.832 386 A HA -0.182 4.138 4.320 0.002 0.000 0.214 386 A C 1.998 179.607 177.584 0.041 0.000 1.204 386 A CA 1.157 53.151 52.037 -0.072 0.000 0.606 386 A CB -1.761 17.125 19.000 -0.190 0.000 0.849 386 A HN 0.042 nan 8.150 nan 0.000 0.445 387 Y N -0.173 120.146 120.300 0.032 0.000 2.165 387 Y HA -0.097 4.454 4.550 0.002 0.000 0.286 387 Y C 2.167 178.101 175.900 0.057 0.000 1.155 387 Y CA 0.630 58.782 58.100 0.086 0.000 1.164 387 Y CB -0.845 37.767 38.460 0.253 0.000 0.978 387 Y HN 0.238 nan 8.280 nan 0.000 0.513 388 L N -0.877 120.436 121.223 0.150 0.000 2.450 388 L HA -0.197 4.144 4.340 0.002 0.000 0.224 388 L C 2.119 179.039 176.870 0.083 0.000 1.149 388 L CA 0.775 55.660 54.840 0.076 0.000 0.816 388 L CB -0.311 41.744 42.059 -0.007 0.000 0.932 388 L HN 0.257 nan 8.230 nan 0.000 0.449 389 A N -1.148 121.728 122.820 0.093 0.000 1.864 389 A HA -0.110 4.210 4.320 0.002 0.000 0.213 389 A C 2.104 179.753 177.584 0.109 0.000 1.266 389 A CA 0.971 53.054 52.037 0.077 0.000 0.612 389 A CB -0.942 18.087 19.000 0.049 0.000 0.940 389 A HN 0.088 nan 8.150 nan 0.000 0.463 390 V N 1.297 121.287 119.914 0.126 0.000 2.453 390 V HA -0.255 3.866 4.120 0.002 0.000 0.252 390 V C 2.918 179.081 176.094 0.116 0.000 1.068 390 V CA 3.061 65.428 62.300 0.112 0.000 1.070 390 V CB -0.868 31.031 31.823 0.127 0.000 0.664 390 V HN 0.877 nan 8.190 nan 0.000 0.461 391 T N -4.166 110.480 114.554 0.153 0.000 2.951 391 T HA -0.149 4.202 4.350 0.002 0.000 0.268 391 T C 1.697 176.615 174.700 0.364 0.000 1.073 391 T CA 1.740 63.948 62.100 0.180 0.000 1.134 391 T CB -0.550 68.441 68.868 0.206 0.000 0.884 391 T HN 0.507 nan 8.240 nan 0.000 0.479 392 T N 2.136 116.870 114.554 0.300 0.000 2.812 392 T HA 0.171 4.522 4.350 0.002 0.000 0.264 392 T C 1.877 176.724 174.700 0.244 0.000 1.042 392 T CA 0.977 63.252 62.100 0.293 0.000 1.140 392 T CB -0.370 68.559 68.868 0.102 0.000 0.870 392 T HN 0.362 nan 8.240 nan 0.000 0.445 393 I N 1.677 122.338 120.570 0.152 0.000 2.068 393 I HA -0.296 3.875 4.170 0.002 0.000 0.238 393 I C 3.021 179.229 176.117 0.150 0.000 1.046 393 I CA 1.509 62.878 61.300 0.115 0.000 1.306 393 I CB -0.721 37.322 38.000 0.071 0.000 1.023 393 I HN 0.219 nan 8.210 nan 0.000 0.399 394 A N 0.733 123.615 122.820 0.104 0.000 1.915 394 A HA -0.290 4.031 4.320 0.002 0.000 0.220 394 A C 2.130 179.754 177.584 0.067 0.000 1.198 394 A CA 2.094 54.147 52.037 0.026 0.000 0.647 394 A CB -1.309 17.644 19.000 -0.079 0.000 0.825 394 A HN 0.395 nan 8.150 nan 0.000 0.456 395 F N -0.716 119.289 119.950 0.091 0.000 2.126 395 F HA -0.145 4.382 4.527 0.001 0.000 0.299 395 F C 2.153 178.029 175.800 0.126 0.000 1.096 395 F CA 1.583 59.645 58.000 0.103 0.000 1.255 395 F CB -0.448 38.599 39.000 0.078 0.000 0.997 395 F HN 0.135 nan 8.300 nan 0.000 0.479 396 L N -1.655 119.750 121.223 0.303 0.000 2.017 396 L HA -0.261 4.080 4.340 0.002 0.000 0.208 396 L C 2.302 179.312 176.870 0.233 0.000 1.073 396 L CA 1.380 56.347 54.840 0.212 0.000 0.745 396 L CB -0.762 41.361 42.059 0.106 0.000 0.894 396 L HN 0.104 nan 8.230 nan 0.000 0.432 397 Y N -0.106 120.242 120.300 0.080 0.000 2.030 397 Y HA -0.409 4.141 4.550 0.001 0.000 0.274 397 Y C 2.724 178.679 175.900 0.091 0.000 1.153 397 Y CA 1.855 59.991 58.100 0.060 0.000 1.115 397 Y CB -0.814 37.627 38.460 -0.032 0.000 0.969 397 Y HN 0.208 nan 8.280 nan 0.000 0.488 398 C N 0.229 119.750 119.300 0.369 0.000 2.401 398 C HA -0.241 4.220 4.460 0.002 0.000 0.276 398 C C 2.850 177.959 174.990 0.198 0.000 1.233 398 C CA 1.447 60.618 59.018 0.256 0.000 1.753 398 C CB -1.510 26.327 27.740 0.162 0.000 2.029 398 C HN 0.610 nan 8.230 nan 0.000 0.478 399 I N -1.253 119.446 120.570 0.216 0.000 2.277 399 I HA -0.180 3.991 4.170 0.002 0.000 0.243 399 I C 2.624 178.846 176.117 0.176 0.000 1.094 399 I CA 1.366 62.781 61.300 0.193 0.000 1.393 399 I CB -0.512 37.621 38.000 0.222 0.000 1.078 399 I HN 0.601 nan 8.210 nan 0.000 0.417 400 W N 2.139 123.430 121.300 -0.014 0.000 2.363 400 W HA -0.229 4.432 4.660 0.002 0.000 0.296 400 W C 2.544 179.004 176.519 -0.098 0.000 1.212 400 W CA 1.534 58.840 57.345 -0.066 0.000 1.260 400 W CB 0.063 29.459 29.460 -0.107 0.000 1.131 400 W HN 0.144 nan 8.180 nan 0.000 0.530 401 A N 0.433 123.237 122.820 -0.027 0.000 1.892 401 A HA -0.253 4.068 4.320 0.002 0.000 0.218 401 A C 2.041 179.551 177.584 -0.124 0.000 1.188 401 A CA 2.605 54.575 52.037 -0.112 0.000 0.631 401 A CB -1.233 17.749 19.000 -0.031 0.000 0.822 401 A HN 0.142 nan 8.150 nan 0.000 0.447 402 V N -1.020 118.859 119.914 -0.058 0.000 2.358 402 V HA -0.195 3.926 4.120 0.002 0.000 0.246 402 V C 2.494 178.494 176.094 -0.156 0.000 1.047 402 V CA 1.782 64.046 62.300 -0.059 0.000 1.035 402 V CB -0.610 31.216 31.823 0.006 0.000 0.658 402 V HN 0.392 nan 8.190 nan 0.000 0.452 403 V N 0.612 120.388 119.914 -0.231 0.000 2.332 403 V HA -0.088 4.033 4.120 0.002 0.000 0.248 403 V C 1.576 177.406 176.094 -0.440 0.000 1.055 403 V CA 1.797 63.901 62.300 -0.327 0.000 1.038 403 V CB -0.671 30.915 31.823 -0.395 0.000 0.651 403 V HN 0.582 nan 8.190 nan 0.000 0.450 404 G N -0.085 108.352 108.800 -0.604 0.000 2.621 404 G HA2 0.467 4.428 3.960 0.002 0.000 0.306 404 G HA3 0.467 4.428 3.960 0.002 0.000 0.306 404 G C -0.329 174.387 174.900 -0.307 0.000 0.893 404 G CA 0.798 45.612 45.100 -0.477 0.000 1.486 404 G HN 0.487 nan 8.290 nan 0.000 0.477 405 S N 0.838 116.397 115.700 -0.235 0.000 2.595 405 S HA 0.588 5.059 4.470 0.002 0.000 0.270 405 S C 0.307 174.827 174.600 -0.135 0.000 1.145 405 S CA -0.038 58.059 58.200 -0.171 0.000 0.825 405 S CB 0.645 63.767 63.200 -0.129 0.000 1.107 405 S HN 1.234 nan 8.310 nan 0.000 0.461 406 G N 1.865 110.610 108.800 -0.092 0.000 2.097 406 G HA2 0.361 4.322 3.960 0.002 0.000 0.256 406 G HA3 0.361 4.322 3.960 0.002 0.000 0.256 406 G C 1.258 176.113 174.900 -0.074 0.000 1.082 406 G CA 0.341 45.397 45.100 -0.074 0.000 0.956 406 G HN 1.266 nan 8.290 nan 0.000 0.420 407 A N 3.612 126.374 122.820 -0.097 0.000 1.892 407 A HA -0.145 4.176 4.320 0.002 0.000 0.218 407 A C 2.431 179.947 177.584 -0.114 0.000 1.188 407 A CA 2.198 54.169 52.037 -0.109 0.000 0.631 407 A CB -0.272 18.661 19.000 -0.112 0.000 0.822 407 A HN 0.640 nan 8.150 nan 0.000 0.447 408 K N 0.503 120.853 120.400 -0.084 0.000 2.057 408 K HA -0.086 4.235 4.320 0.002 0.000 0.206 408 K C 1.618 178.202 176.600 -0.026 0.000 1.050 408 K CA 1.681 57.910 56.287 -0.098 0.000 0.935 408 K CB -0.463 32.060 32.500 0.039 0.000 0.715 408 K HN 0.629 nan 8.250 nan 0.000 0.439 409 E N 0.417 120.664 120.200 0.078 0.000 2.265 409 E HA -0.101 4.250 4.350 0.002 0.000 0.196 409 E C 1.770 178.420 176.600 0.084 0.000 0.996 409 E CA 0.719 57.210 56.400 0.152 0.000 0.832 409 E CB 0.007 29.775 29.700 0.113 0.000 0.756 409 E HN 0.029 nan 8.360 nan 0.000 0.491 410 V N 1.107 121.024 119.914 0.005 0.000 2.599 410 V HA -0.168 3.953 4.120 0.002 0.000 0.245 410 V C 2.177 178.276 176.094 0.008 0.000 1.046 410 V CA 1.399 63.700 62.300 0.000 0.000 1.065 410 V CB -0.209 31.590 31.823 -0.040 0.000 0.703 410 V HN 0.410 nan 8.190 nan 0.000 0.464 411 M N -1.324 118.207 119.600 -0.113 0.000 2.195 411 M HA -0.233 4.248 4.480 0.002 0.000 0.260 411 M C 1.969 178.209 176.300 -0.101 0.000 1.066 411 M CA 2.298 57.481 55.300 -0.194 0.000 1.089 411 M CB -0.753 31.590 32.600 -0.429 0.000 1.377 411 M HN 0.314 nan 8.290 nan 0.000 0.411 412 W N 0.902 122.244 121.300 0.070 0.000 2.379 412 W HA -0.063 4.598 4.660 0.001 0.000 0.307 412 W C 2.682 179.258 176.519 0.096 0.000 1.200 412 W CA 0.827 58.213 57.345 0.068 0.000 1.297 412 W CB -0.469 28.993 29.460 0.004 0.000 1.140 412 W HN 0.273 nan 8.180 nan 0.000 0.507 413 S N 0.518 116.381 115.700 0.271 0.000 2.380 413 S HA -0.280 4.191 4.470 0.002 0.000 0.229 413 S C 1.469 176.284 174.600 0.358 0.000 1.043 413 S CA 1.674 60.011 58.200 0.229 0.000 1.038 413 S CB -0.891 62.370 63.200 0.103 0.000 0.872 413 S HN 0.211 nan 8.310 nan 0.000 0.456 414 F N 2.454 122.493 119.950 0.147 0.000 2.046 414 F HA -0.170 4.358 4.527 0.001 0.000 0.297 414 F C 2.296 178.201 175.800 0.175 0.000 1.123 414 F CA 1.293 59.370 58.000 0.129 0.000 1.199 414 F CB -0.774 38.256 39.000 0.050 0.000 0.972 414 F HN -0.018 nan 8.300 nan 0.000 0.474 415 V N -0.320 119.769 119.914 0.292 0.000 2.469 415 V HA -0.333 3.788 4.120 0.002 0.000 0.251 415 V C 2.178 178.399 176.094 0.211 0.000 1.064 415 V CA 2.106 64.545 62.300 0.232 0.000 1.066 415 V CB -1.567 30.484 31.823 0.380 0.000 0.667 415 V HN 0.438 nan 8.190 nan 0.000 0.461 416 T N 1.162 115.891 114.554 0.293 0.000 2.555 416 T HA -0.244 4.107 4.350 0.002 0.000 0.264 416 T C 1.903 176.685 174.700 0.136 0.000 1.083 416 T CA 2.094 64.354 62.100 0.267 0.000 1.179 416 T CB -0.510 68.644 68.868 0.476 0.000 0.863 416 T HN 0.333 nan 8.240 nan 0.000 0.412 417 L N 0.385 121.666 121.223 0.097 0.000 2.021 417 L HA -0.229 4.111 4.340 0.002 0.000 0.215 417 L C 2.820 179.689 176.870 -0.001 0.000 1.074 417 L CA 1.726 56.577 54.840 0.018 0.000 0.760 417 L CB -0.735 41.305 42.059 -0.032 0.000 0.889 417 L HN 0.368 nan 8.230 nan 0.000 0.433 418 M N -1.397 118.157 119.600 -0.078 0.000 2.117 418 M HA -0.188 4.293 4.480 0.002 0.000 0.262 418 M C 2.380 178.715 176.300 0.058 0.000 1.065 418 M CA 1.402 56.675 55.300 -0.045 0.000 1.114 418 M CB -0.578 31.962 32.600 -0.100 0.000 1.361 418 M HN 0.120 nan 8.290 nan 0.000 0.408 419 V N 1.175 121.139 119.914 0.083 0.000 2.379 419 V HA -0.179 3.942 4.120 0.002 0.000 0.245 419 V C 2.173 178.348 176.094 0.136 0.000 1.044 419 V CA 1.485 63.853 62.300 0.114 0.000 1.036 419 V CB -0.238 31.658 31.823 0.121 0.000 0.664 419 V HN 0.398 nan 8.190 nan 0.000 0.453 420 I N -0.210 120.433 120.570 0.121 0.000 2.315 420 I HA -0.261 3.910 4.170 0.002 0.000 0.251 420 I C 2.378 178.631 176.117 0.226 0.000 1.125 420 I CA 2.023 63.410 61.300 0.145 0.000 1.392 420 I CB -0.707 37.324 38.000 0.051 0.000 1.065 420 I HN 0.345 nan 8.210 nan 0.000 0.424 421 T N 0.573 115.247 114.554 0.199 0.000 2.735 421 T HA -0.021 4.330 4.350 0.002 0.000 0.256 421 T C 2.135 177.017 174.700 0.303 0.000 1.042 421 T CA 1.237 63.524 62.100 0.311 0.000 1.147 421 T CB -0.294 68.761 68.868 0.312 0.000 0.865 421 T HN 0.451 nan 8.240 nan 0.000 0.421 422 A N 1.281 124.226 122.820 0.207 0.000 1.985 422 A HA -0.203 4.118 4.320 0.002 0.000 0.223 422 A C 2.096 179.803 177.584 0.205 0.000 1.189 422 A CA 1.995 54.142 52.037 0.183 0.000 0.658 422 A CB -0.834 18.247 19.000 0.136 0.000 0.820 422 A HN 0.532 nan 8.150 nan 0.000 0.464 423 M N -0.841 118.912 119.600 0.255 0.000 2.696 423 M HA 0.092 4.573 4.480 0.002 0.000 0.220 423 M C -0.252 176.179 176.300 0.219 0.000 1.133 423 M CA 0.452 55.862 55.300 0.185 0.000 1.016 423 M CB -0.178 32.516 32.600 0.157 0.000 1.740 423 M HN 0.515 nan 8.290 nan 0.000 0.502 424 Y N -1.285 119.027 120.300 0.020 0.000 2.746 424 Y HA 0.347 4.898 4.550 0.002 0.000 0.312 424 Y C 1.633 177.366 175.900 -0.279 0.000 1.117 424 Y CA -0.540 57.537 58.100 -0.038 0.000 1.324 424 Y CB -0.158 38.396 38.460 0.157 0.000 1.173 424 Y HN 0.345 nan 8.280 nan 0.000 0.529 425 A N 0.447 123.075 122.820 -0.320 0.000 1.872 425 A HA -0.153 4.168 4.320 0.002 0.000 0.214 425 A C 1.967 178.872 177.584 -1.131 0.000 1.187 425 A CA 1.114 52.491 52.037 -1.100 0.000 0.614 425 A CB -0.553 18.334 19.000 -0.188 0.000 0.826 425 A HN 0.557 nan 8.150 nan 0.000 0.442 426 L N -0.375 120.540 121.223 -0.513 0.000 2.349 426 L HA -0.036 4.304 4.340 0.002 0.000 0.220 426 L C 1.005 177.640 176.870 -0.392 0.000 1.130 426 L CA 1.875 56.491 54.840 -0.373 0.000 0.791 426 L CB -0.372 41.530 42.059 -0.262 0.000 0.918 426 L HN 0.352 nan 8.230 nan 0.000 0.444 427 N N -1.410 117.010 118.700 -0.466 0.000 2.234 427 N HA 0.019 4.759 4.740 0.002 0.000 0.227 427 N C -0.311 175.169 175.510 -0.049 0.000 1.151 427 N CA -0.148 52.725 53.050 -0.295 0.000 0.865 427 N CB 0.220 38.444 38.487 -0.439 0.000 1.066 427 N HN 0.269 nan 8.380 nan 0.000 0.515 428 Y N 1.660 121.979 120.300 0.031 0.000 3.614 428 Y HA -0.056 4.495 4.550 0.002 0.000 0.356 428 Y C 0.328 176.260 175.900 0.054 0.000 0.884 428 Y CA 0.401 58.537 58.100 0.060 0.000 2.095 428 Y CB -1.408 37.079 38.460 0.045 0.000 2.438 428 Y HN -0.007 nan 8.280 nan 0.000 0.393 429 N N 0.532 119.356 118.700 0.207 0.000 2.969 429 N HA 0.120 4.861 4.740 0.002 0.000 0.230 429 N C 0.111 175.708 175.510 0.145 0.000 1.397 429 N CA -0.259 52.880 53.050 0.148 0.000 0.762 429 N CB 1.201 39.748 38.487 0.100 0.000 1.495 429 N HN 0.446 nan 8.380 nan 0.000 0.583 430 R N 0.406 121.010 120.500 0.173 0.000 2.400 430 R HA 0.832 5.173 4.340 0.002 0.000 0.112 430 R C 0.722 177.116 176.300 0.156 0.000 1.488 430 R CA 0.150 56.360 56.100 0.184 0.000 1.275 430 R CB -0.039 30.406 30.300 0.242 0.000 1.084 430 R HN 0.060 nan 8.270 nan 0.000 0.426 431 L N -2.027 119.299 121.223 0.171 0.000 1.802 431 L HA 0.319 4.660 4.340 0.002 0.000 0.127 431 L C 0.715 177.653 176.870 0.114 0.000 1.708 431 L CA 0.682 55.598 54.840 0.128 0.000 1.017 431 L CB -1.731 40.394 42.059 0.111 0.000 1.742 431 L HN 1.289 nan 8.230 nan 0.000 0.413 432 H N 0.094 119.228 119.070 0.106 0.000 1.771 432 H HA 0.464 5.020 4.556 0.002 0.000 0.296 432 H C 1.706 177.045 175.328 0.019 0.000 0.739 432 H CA 2.310 58.391 56.048 0.055 0.000 0.999 432 H CB -2.120 27.660 29.762 0.031 0.000 1.440 432 H HN 2.850 nan 8.280 nan 0.000 0.235 433 K N -1.841 118.568 120.400 0.015 0.000 3.261 433 K HA 0.101 4.422 4.320 0.002 0.000 0.272 433 K C 0.664 177.268 176.600 0.007 0.000 1.212 433 K CA 1.911 58.200 56.287 0.002 0.000 0.808 433 K CB -2.769 29.722 32.500 -0.015 0.000 1.344 433 K HN 2.721 nan 8.250 nan 0.000 0.517 434 N N 0.862 119.572 118.700 0.016 0.000 2.434 434 N HA 0.789 5.530 4.740 0.002 0.000 0.266 434 N C -0.459 175.057 175.510 0.011 0.000 1.223 434 N CA -0.431 52.629 53.050 0.017 0.000 0.972 434 N CB -0.322 38.182 38.487 0.027 0.000 1.207 434 N HN 0.588 nan 8.380 nan 0.000 0.525 435 P HA 0.000 nan 4.420 nan 0.000 0.216 435 P CA 0.000 63.103 63.100 0.005 0.000 0.800 435 P CB 0.000 31.701 31.700 0.002 0.000 0.726