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 2fah_1_C DATA FIRST_RESID 34 DATA SEQUENCE LSTSLSALPA AARDFVEEAV RLCRPREVLL CDGSEEEGKE LLRGLQDDGV DATA SEQUENCE LHPLPKYDNC WLARTDPRDV ARVESKTVLV TPEQSDAVPP PPPSGGPPQL DATA SEQUENCE GNWMSPNAFQ AAVQERFPGC MAGRPLYVIP FSMGPPTSPL AKLGVQVTDS DATA SEQUENCE PYVVLSMRIM TRVGPAVLQR LDDDFVRCLH SVGRPLPLTE PLVSSWPCDP DATA SEQUENCE SRVLVAHIPS ERRIVSFGSG YGGNSLLGKK CFALRIASRM AQQQGWLAEH DATA SEQUENCE MLILGVTSPS GEKRYMAAAF PSACGKTNLA MMTPSLPGWR IHCVGDDIAW DATA SEQUENCE MKFDDEGRLR AINPERGFFG VAPGTSSRTN PNAMATIARN TIFTNVGLRS DATA SEQUENCE DGGVYWDGLD EPTEPGVTYT SWLGKPWKHG DPEPCAHPNS RFCAPADQCP DATA SEQUENCE IMDPRWDDPE GVPIDAIIFG GRRPRGVPLV VEAFGWRHGV FMGSAMRSEA DATA SEQUENCE TAAAEHKGGR LMHDPFAMRP FFGYNAGRYL EHWLSTGLRS NARLPRLFHV DATA SEQUENCE NWFLRDNEGR FVWPGFGHNA RVLAWIFGRI QGRDTARPTP IGWVPKEGDL DATA SEQUENCE DLGGLPGVDY SQLFPMEKGF WEEECRQLRE YYGENFGADL PRDVMAELEG DATA SEQUENCE LEERVRKM 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 34 L HA 0.000 nan 4.340 nan 0.000 0.249 34 L C 0.000 176.891 176.870 0.035 0.000 1.165 34 L CA 0.000 54.875 54.840 0.059 0.000 0.813 34 L CB 0.000 42.110 42.059 0.086 0.000 0.961 35 S N -1.370 114.347 115.700 0.027 0.000 2.579 35 S HA 0.581 5.051 4.470 -0.000 0.000 0.272 35 S C 0.203 174.802 174.600 -0.002 0.000 1.141 35 S CA 0.086 58.292 58.200 0.010 0.000 0.843 35 S CB 1.952 65.156 63.200 0.008 0.000 1.122 35 S HN 0.733 nan 8.310 nan 0.000 0.468 36 T N -1.848 112.701 114.554 -0.010 0.000 3.065 36 T HA 0.249 4.599 4.350 -0.000 0.000 0.252 36 T C 0.797 175.486 174.700 -0.019 0.000 1.099 36 T CA 0.452 62.539 62.100 -0.021 0.000 1.063 36 T CB -0.120 68.735 68.868 -0.023 0.000 0.948 36 T HN 0.586 nan 8.240 nan 0.000 0.506 37 S N 0.735 116.428 115.700 -0.013 0.000 2.523 37 S HA 0.487 4.957 4.470 -0.000 0.000 0.275 37 S C 0.710 175.303 174.600 -0.013 0.000 1.281 37 S CA -0.775 57.418 58.200 -0.012 0.000 1.050 37 S CB 0.238 63.433 63.200 -0.009 0.000 0.937 37 S HN 0.440 nan 8.310 nan 0.000 0.492 38 L N 4.196 125.410 121.223 -0.015 0.000 2.640 38 L HA 0.082 4.422 4.340 -0.000 0.000 0.230 38 L C 2.302 179.164 176.870 -0.014 0.000 1.123 38 L CA 0.202 55.032 54.840 -0.016 0.000 0.900 38 L CB -0.300 41.748 42.059 -0.019 0.000 1.146 38 L HN 0.806 nan 8.230 nan 0.000 0.484 39 S N 0.760 116.453 115.700 -0.012 0.000 2.402 39 S HA -0.228 4.242 4.470 -0.000 0.000 0.233 39 S C 1.999 176.592 174.600 -0.012 0.000 1.030 39 S CA 1.139 59.333 58.200 -0.010 0.000 1.003 39 S CB -0.256 62.939 63.200 -0.008 0.000 0.813 39 S HN 0.386 nan 8.310 nan 0.000 0.477 40 A N 0.951 123.763 122.820 -0.014 0.000 2.167 40 A HA 0.408 4.728 4.320 -0.000 0.000 0.214 40 A C 0.988 178.556 177.584 -0.027 0.000 1.151 40 A CA 0.072 52.098 52.037 -0.018 0.000 0.735 40 A CB -0.454 18.536 19.000 -0.017 0.000 0.802 40 A HN 0.564 nan 8.150 nan 0.000 0.467 41 L N 1.878 123.084 121.223 -0.029 0.000 2.380 41 L HA 0.236 4.576 4.340 -0.000 0.000 0.273 41 L C -1.881 174.969 176.870 -0.033 0.000 1.138 41 L CA -1.878 52.936 54.840 -0.043 0.000 0.832 41 L CB 0.669 42.705 42.059 -0.038 0.000 1.124 41 L HN 0.156 nan 8.230 nan 0.000 0.454 42 P HA 0.049 nan 4.420 nan 0.000 0.272 42 P C 0.274 177.579 177.300 0.008 0.000 1.230 42 P CA -0.297 62.791 63.100 -0.019 0.000 0.788 42 P CB 0.870 32.554 31.700 -0.027 0.000 0.949 43 A N 2.541 125.377 122.820 0.027 0.000 1.881 43 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 43 A C 2.304 179.938 177.584 0.084 0.000 1.215 43 A CA 3.118 55.183 52.037 0.046 0.000 0.648 43 A CB -1.811 17.214 19.000 0.042 0.000 0.832 43 A HN 0.618 nan 8.150 nan 0.000 0.455 44 A N -0.686 122.208 122.820 0.123 0.000 1.908 44 A HA 0.125 4.444 4.320 -0.000 0.000 0.218 44 A C 2.553 180.325 177.584 0.313 0.000 1.181 44 A CA 2.524 54.689 52.037 0.214 0.000 0.627 44 A CB -1.132 18.030 19.000 0.270 0.000 0.818 44 A HN 1.267 nan 8.150 nan 0.000 0.445 45 A N -0.500 122.441 122.820 0.202 0.000 1.877 45 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 45 A C 2.258 179.930 177.584 0.145 0.000 1.186 45 A CA 1.793 53.885 52.037 0.093 0.000 0.620 45 A CB -0.523 18.316 19.000 -0.268 0.000 0.822 45 A HN 0.541 nan 8.150 nan 0.000 0.443 46 R N -0.433 120.111 120.500 0.073 0.000 2.091 46 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 46 R C 1.535 177.878 176.300 0.073 0.000 1.136 46 R CA 1.844 57.974 56.100 0.050 0.000 0.959 46 R CB -0.343 29.971 30.300 0.023 0.000 0.856 46 R HN 0.481 nan 8.270 nan 0.000 0.437 47 D N -0.170 120.298 120.400 0.113 0.000 2.123 47 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 47 D C 1.526 177.921 176.300 0.157 0.000 0.992 47 D CA 1.148 55.217 54.000 0.115 0.000 0.833 47 D CB -0.358 40.516 40.800 0.124 0.000 0.954 47 D HN 0.199 nan 8.370 nan 0.000 0.455 48 F N 1.656 121.658 119.950 0.087 0.000 2.075 48 F HA -0.188 4.339 4.527 -0.000 0.000 0.297 48 F C 2.178 178.017 175.800 0.065 0.000 1.113 48 F CA 0.930 58.985 58.000 0.093 0.000 1.218 48 F CB -0.675 38.435 39.000 0.183 0.000 0.984 48 F HN -0.203 nan 8.300 nan 0.000 0.472 49 V N 0.987 120.741 119.914 -0.267 0.000 2.282 49 V HA -0.341 3.779 4.120 -0.000 0.000 0.249 49 V C 2.379 178.341 176.094 -0.220 0.000 1.057 49 V CA 2.469 64.565 62.300 -0.340 0.000 1.032 49 V CB -0.853 30.892 31.823 -0.130 0.000 0.645 49 V HN 0.395 nan 8.190 nan 0.000 0.447 50 E N -0.436 119.702 120.200 -0.103 0.000 2.106 50 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 50 E C 2.254 178.813 176.600 -0.067 0.000 0.984 50 E CA 1.232 57.593 56.400 -0.066 0.000 0.806 50 E CB -0.128 29.558 29.700 -0.024 0.000 0.750 50 E HN 0.687 nan 8.360 nan 0.000 0.458 51 E N 0.573 120.735 120.200 -0.063 0.000 2.051 51 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 51 E C 2.045 178.592 176.600 -0.088 0.000 0.991 51 E CA 1.044 57.419 56.400 -0.043 0.000 0.799 51 E CB -0.080 29.634 29.700 0.023 0.000 0.748 51 E HN 0.219 nan 8.360 nan 0.000 0.449 52 A N 0.588 123.293 122.820 -0.191 0.000 1.969 52 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 52 A C 2.427 179.950 177.584 -0.102 0.000 1.169 52 A CA 0.874 52.800 52.037 -0.184 0.000 0.635 52 A CB -0.454 18.339 19.000 -0.346 0.000 0.810 52 A HN 0.113 nan 8.150 nan 0.000 0.445 53 V N 0.063 119.912 119.914 -0.108 0.000 2.261 53 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 53 V C 2.666 178.736 176.094 -0.041 0.000 1.047 53 V CA 2.358 64.617 62.300 -0.069 0.000 1.015 53 V CB -0.779 31.002 31.823 -0.071 0.000 0.642 53 V HN 0.545 nan 8.190 nan 0.000 0.446 54 R N -0.683 119.794 120.500 -0.039 0.000 2.073 54 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 54 R C 2.236 178.529 176.300 -0.012 0.000 1.134 54 R CA 1.720 57.806 56.100 -0.023 0.000 0.952 54 R CB -0.648 29.639 30.300 -0.020 0.000 0.850 54 R HN 0.379 nan 8.270 nan 0.000 0.433 55 L N 0.362 121.577 121.223 -0.013 0.000 1.994 55 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 55 L C 1.934 178.830 176.870 0.045 0.000 1.071 55 L CA 1.849 56.695 54.840 0.010 0.000 0.745 55 L CB -0.455 41.603 42.059 -0.003 0.000 0.892 55 L HN 0.212 nan 8.230 nan 0.000 0.431 56 C N -0.926 118.404 119.300 0.050 0.000 2.590 56 C HA 0.239 4.699 4.460 -0.000 0.000 0.272 56 C C 1.104 176.116 174.990 0.037 0.000 1.338 56 C CA -0.314 58.755 59.018 0.084 0.000 1.746 56 C CB -0.872 26.934 27.740 0.110 0.000 2.020 56 C HN 0.569 nan 8.230 nan 0.000 0.531 57 R N -0.276 120.229 120.500 0.009 0.000 3.205 57 R HA -0.134 4.206 4.340 -0.000 0.000 0.249 57 R C -2.597 173.693 176.300 -0.017 0.000 0.937 57 R CA 0.162 56.258 56.100 -0.007 0.000 0.641 57 R CB -1.776 28.522 30.300 -0.003 0.000 1.114 57 R HN 0.454 nan 8.270 nan 0.000 0.451 58 P HA -0.061 nan 4.420 nan 0.000 0.272 58 P C 0.288 177.556 177.300 -0.054 0.000 1.230 58 P CA -0.120 62.951 63.100 -0.048 0.000 0.788 58 P CB 0.597 32.254 31.700 -0.071 0.000 0.949 59 R N 1.271 121.734 120.500 -0.061 0.000 2.081 59 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 59 R C 0.797 177.055 176.300 -0.069 0.000 1.131 59 R CA 1.463 57.528 56.100 -0.058 0.000 0.960 59 R CB 0.184 30.451 30.300 -0.056 0.000 0.856 59 R HN 0.726 nan 8.270 nan 0.000 0.436 60 E N -1.726 118.414 120.200 -0.099 0.000 2.454 60 E HA 0.398 4.748 4.350 -0.000 0.000 0.279 60 E C -1.582 174.931 176.600 -0.146 0.000 1.029 60 E CA -1.172 55.163 56.400 -0.107 0.000 0.831 60 E CB 1.857 31.495 29.700 -0.104 0.000 1.405 60 E HN -0.092 nan 8.360 nan 0.000 0.463 61 V N 1.228 121.063 119.914 -0.132 0.000 2.531 61 V HA 0.482 4.602 4.120 -0.000 0.000 0.301 61 V C -0.788 175.229 176.094 -0.129 0.000 1.034 61 V CA -0.636 61.581 62.300 -0.139 0.000 0.865 61 V CB 1.256 33.023 31.823 -0.093 0.000 0.995 61 V HN 0.539 nan 8.190 nan 0.000 0.424 62 L N 5.033 126.164 121.223 -0.154 0.000 2.409 62 L HA 0.571 4.911 4.340 -0.000 0.000 0.272 62 L C -0.899 175.974 176.870 0.006 0.000 0.980 62 L CA -0.705 54.086 54.840 -0.081 0.000 0.826 62 L CB 2.124 44.115 42.059 -0.114 0.000 1.268 62 L HN 0.477 nan 8.230 nan 0.000 0.407 63 L N 3.189 124.425 121.223 0.021 0.000 2.290 63 L HA 0.420 4.760 4.340 -0.000 0.000 0.284 63 L C -0.359 176.551 176.870 0.066 0.000 1.078 63 L CA 0.167 55.031 54.840 0.040 0.000 0.815 63 L CB 0.830 42.898 42.059 0.015 0.000 1.162 63 L HN 0.648 nan 8.230 nan 0.000 0.435 64 C N 3.943 123.294 119.300 0.085 0.000 2.536 64 C HA 0.368 4.828 4.460 -0.000 0.000 0.396 64 C C 1.103 176.117 174.990 0.041 0.000 1.279 64 C CA -0.289 58.771 59.018 0.070 0.000 2.148 64 C CB 0.329 28.109 27.740 0.066 0.000 2.584 64 C HN 0.936 nan 8.230 nan 0.000 0.579 65 D N -0.542 119.875 120.400 0.028 0.000 2.441 65 D HA 0.230 4.870 4.640 -0.000 0.000 0.210 65 D C 1.384 177.692 176.300 0.014 0.000 1.102 65 D CA 0.567 54.578 54.000 0.018 0.000 0.840 65 D CB -0.212 40.597 40.800 0.015 0.000 0.990 65 D HN 0.927 nan 8.370 nan 0.000 0.505 66 G N 0.640 109.446 108.800 0.009 0.000 2.155 66 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.257 66 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.257 66 G C 0.483 175.384 174.900 0.002 0.000 0.983 66 G CA 0.649 45.750 45.100 0.002 0.000 0.676 66 G HN 0.867 nan 8.290 nan 0.000 0.528 67 S N -1.037 114.666 115.700 0.004 0.000 2.608 67 S HA 0.502 4.972 4.470 -0.000 0.000 0.261 67 S C 1.179 175.781 174.600 0.005 0.000 1.314 67 S CA 0.551 58.756 58.200 0.007 0.000 0.992 67 S CB 1.884 65.090 63.200 0.010 0.000 0.935 67 S HN 0.436 nan 8.310 nan 0.000 0.564 68 E N 0.679 120.886 120.200 0.012 0.000 2.047 68 E HA -0.189 4.160 4.350 -0.000 0.000 0.191 68 E C 1.640 178.248 176.600 0.013 0.000 0.987 68 E CA 1.540 57.950 56.400 0.016 0.000 0.799 68 E CB -0.222 29.494 29.700 0.025 0.000 0.752 68 E HN 0.833 nan 8.360 nan 0.000 0.449 69 E N 0.815 121.023 120.200 0.013 0.000 2.085 69 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 69 E C 1.902 178.504 176.600 0.002 0.000 0.994 69 E CA 1.452 57.859 56.400 0.012 0.000 0.801 69 E CB -0.229 29.479 29.700 0.014 0.000 0.743 69 E HN 0.392 nan 8.360 nan 0.000 0.453 70 E N 0.616 120.815 120.200 -0.001 0.000 2.058 70 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 70 E C 2.213 178.790 176.600 -0.038 0.000 0.997 70 E CA 1.388 57.782 56.400 -0.010 0.000 0.801 70 E CB -0.417 29.280 29.700 -0.005 0.000 0.746 70 E HN 0.299 nan 8.360 nan 0.000 0.450 71 G N 1.105 109.880 108.800 -0.042 0.000 2.446 71 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 71 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 71 G C 1.530 176.377 174.900 -0.089 0.000 1.168 71 G CA 1.075 46.133 45.100 -0.070 0.000 0.771 71 G HN 0.218 nan 8.290 nan 0.000 0.551 72 K N 0.133 120.507 120.400 -0.044 0.000 2.032 72 K HA -0.106 4.214 4.320 -0.000 0.000 0.209 72 K C 2.383 178.944 176.600 -0.066 0.000 1.048 72 K CA 1.388 57.652 56.287 -0.039 0.000 0.927 72 K CB -0.146 32.362 32.500 0.013 0.000 0.712 72 K HN 0.284 nan 8.250 nan 0.000 0.441 73 E N 1.610 121.784 120.200 -0.042 0.000 2.038 73 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 73 E C 1.868 178.429 176.600 -0.066 0.000 1.000 73 E CA 1.388 57.768 56.400 -0.033 0.000 0.803 73 E CB -0.372 29.325 29.700 -0.005 0.000 0.750 73 E HN 0.210 nan 8.360 nan 0.000 0.448 74 L N -0.071 121.094 121.223 -0.096 0.000 2.042 74 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 74 L C 2.674 179.423 176.870 -0.201 0.000 1.076 74 L CA 1.194 55.948 54.840 -0.143 0.000 0.749 74 L CB -0.520 41.424 42.059 -0.191 0.000 0.893 74 L HN 0.212 nan 8.230 nan 0.000 0.432 75 L N -0.823 120.225 121.223 -0.291 0.000 2.017 75 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 75 L C 2.876 179.510 176.870 -0.393 0.000 1.073 75 L CA 1.299 55.824 54.840 -0.524 0.000 0.745 75 L CB -0.505 41.072 42.059 -0.803 0.000 0.894 75 L HN 0.186 nan 8.230 nan 0.000 0.432 76 R N -0.188 120.185 120.500 -0.212 0.000 2.083 76 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 76 R C 2.353 178.618 176.300 -0.059 0.000 1.137 76 R CA 1.444 57.492 56.100 -0.087 0.000 0.951 76 R CB -0.816 29.467 30.300 -0.027 0.000 0.851 76 R HN 0.471 nan 8.270 nan 0.000 0.434 77 G N 0.922 109.686 108.800 -0.060 0.000 2.418 77 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 77 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 77 G C 1.449 176.329 174.900 -0.032 0.000 1.158 77 G CA 0.371 45.455 45.100 -0.027 0.000 0.771 77 G HN 0.134 nan 8.290 nan 0.000 0.545 78 L N -0.177 121.005 121.223 -0.067 0.000 2.093 78 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 78 L C 2.976 179.825 176.870 -0.035 0.000 1.085 78 L CA 1.332 56.144 54.840 -0.046 0.000 0.755 78 L CB -0.309 41.716 42.059 -0.056 0.000 0.904 78 L HN 0.340 nan 8.230 nan 0.000 0.435 79 Q N 0.122 119.895 119.800 -0.046 0.000 2.046 79 Q HA -0.260 4.080 4.340 -0.000 0.000 0.200 79 Q C 1.799 177.809 176.000 0.017 0.000 0.975 79 Q CA 1.964 57.775 55.803 0.015 0.000 0.836 79 Q CB 0.028 28.829 28.738 0.106 0.000 0.896 79 Q HN 0.332 nan 8.270 nan 0.000 0.428 80 D N 0.508 120.918 120.400 0.017 0.000 2.149 80 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 80 D C 1.175 177.484 176.300 0.016 0.000 1.001 80 D CA 1.672 55.684 54.000 0.021 0.000 0.849 80 D CB -0.143 40.666 40.800 0.016 0.000 0.939 80 D HN 0.319 nan 8.370 nan 0.000 0.449 81 D N -1.263 119.140 120.400 0.006 0.000 2.312 81 D HA 0.044 4.684 4.640 -0.000 0.000 0.211 81 D C 1.637 177.945 176.300 0.014 0.000 0.964 81 D CA 1.229 55.234 54.000 0.009 0.000 0.877 81 D CB -0.105 40.697 40.800 0.004 0.000 0.924 81 D HN 0.398 nan 8.370 nan 0.000 0.515 82 G N 0.050 108.846 108.800 -0.006 0.000 2.143 82 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.249 82 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.249 82 G C 1.194 176.056 174.900 -0.064 0.000 0.981 82 G CA 0.505 45.586 45.100 -0.033 0.000 0.665 82 G HN 0.332 nan 8.290 nan 0.000 0.528 83 V N -0.042 119.862 119.914 -0.016 0.000 2.446 83 V HA 0.269 4.389 4.120 -0.000 0.000 0.244 83 V C 1.661 177.798 176.094 0.071 0.000 1.039 83 V CA 1.538 63.893 62.300 0.092 0.000 1.045 83 V CB -0.096 31.796 31.823 0.116 0.000 0.681 83 V HN 0.392 nan 8.190 nan 0.000 0.459 84 L N -0.082 121.136 121.223 -0.008 0.000 2.322 84 L HA 0.512 4.852 4.340 -0.000 0.000 0.279 84 L C -0.810 176.019 176.870 -0.068 0.000 1.036 84 L CA -0.533 54.371 54.840 0.106 0.000 0.807 84 L CB 1.338 43.521 42.059 0.208 0.000 1.226 84 L HN 0.315 nan 8.230 nan 0.000 0.433 85 H N 1.902 121.209 119.070 0.395 0.000 2.495 85 H HA 0.397 4.953 4.556 -0.000 0.000 0.348 85 H C -2.378 173.139 175.328 0.315 0.000 1.113 85 H CA -1.884 54.352 56.048 0.314 0.000 1.195 85 H CB 1.314 31.200 29.762 0.207 0.000 1.521 85 H HN 0.341 nan 8.280 nan 0.000 0.509 86 P HA 0.099 nan 4.420 nan 0.000 0.274 86 P C -0.579 176.630 177.300 -0.151 0.000 1.237 86 P CA -0.387 62.570 63.100 -0.238 0.000 0.793 86 P CB 1.431 32.960 31.700 -0.286 0.000 0.977 87 L N 2.946 123.996 121.223 -0.288 0.000 2.495 87 L HA 0.272 4.612 4.340 -0.000 0.000 0.248 87 L C -1.417 175.305 176.870 -0.245 0.000 1.229 87 L CA -1.584 53.163 54.840 -0.156 0.000 0.942 87 L CB 1.620 43.709 42.059 0.051 0.000 1.242 87 L HN 0.212 nan 8.230 nan 0.000 0.484 88 P HA -0.177 nan 4.420 nan 0.000 0.228 88 P C 1.278 178.422 177.300 -0.260 0.000 1.151 88 P CA 0.978 63.947 63.100 -0.218 0.000 0.770 88 P CB 0.378 31.982 31.700 -0.159 0.000 0.786 89 K N -1.426 118.710 120.400 -0.440 0.000 2.283 89 K HA -0.085 4.235 4.320 -0.000 0.000 0.202 89 K C 0.466 176.731 176.600 -0.557 0.000 1.048 89 K CA 0.921 56.852 56.287 -0.592 0.000 0.948 89 K CB -0.080 31.890 32.500 -0.882 0.000 0.742 89 K HN 0.089 nan 8.250 nan 0.000 0.458 90 Y N -0.842 119.425 120.300 -0.055 0.000 2.772 90 Y HA 0.297 4.847 4.550 -0.000 0.000 0.324 90 Y C -0.434 175.448 175.900 -0.030 0.000 1.169 90 Y CA -2.048 56.039 58.100 -0.021 0.000 1.198 90 Y CB 0.226 38.701 38.460 0.025 0.000 1.402 90 Y HN -0.192 nan 8.280 nan 0.000 0.577 91 D N 0.761 121.280 120.400 0.200 0.000 2.454 91 D HA 0.141 4.781 4.640 -0.000 0.000 0.225 91 D C -0.476 175.895 176.300 0.119 0.000 1.081 91 D CA -0.280 53.787 54.000 0.112 0.000 0.864 91 D CB -0.292 40.568 40.800 0.100 0.000 1.040 91 D HN 0.596 nan 8.370 nan 0.000 0.517 92 N N 2.546 121.294 118.700 0.079 0.000 2.738 92 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 92 N C -1.508 174.119 175.510 0.194 0.000 1.047 92 N CA 0.540 53.695 53.050 0.175 0.000 0.707 92 N CB -1.506 37.142 38.487 0.268 0.000 0.937 92 N HN 0.332 nan 8.380 nan 0.000 0.545 93 C N 0.024 119.304 119.300 -0.032 0.000 2.454 93 C HA 0.819 5.279 4.460 -0.000 0.000 0.336 93 C C -0.076 174.806 174.990 -0.181 0.000 1.189 93 C CA -0.543 58.567 59.018 0.153 0.000 1.877 93 C CB 0.457 28.438 27.740 0.402 0.000 2.348 93 C HN 0.523 nan 8.230 nan 0.000 0.508 94 W N 1.435 122.959 121.300 0.373 0.000 3.107 94 W HA 0.669 5.328 4.660 -0.000 0.000 0.331 94 W C -0.960 175.819 176.519 0.433 0.000 1.204 94 W CA -0.657 56.888 57.345 0.334 0.000 1.184 94 W CB 1.062 30.665 29.460 0.238 0.000 1.421 94 W HN 0.370 nan 8.180 nan 0.000 0.544 95 L N 2.632 124.227 121.223 0.621 0.000 2.356 95 L HA 0.921 5.261 4.340 -0.000 0.000 0.277 95 L C -0.588 176.620 176.870 0.565 0.000 0.996 95 L CA -0.733 54.438 54.840 0.553 0.000 0.822 95 L CB 1.067 43.374 42.059 0.412 0.000 1.256 95 L HN 0.515 nan 8.230 nan 0.000 0.413 96 A N 5.455 128.577 122.820 0.503 0.000 2.312 96 A HA 0.888 5.208 4.320 -0.000 0.000 0.328 96 A C -0.457 177.296 177.584 0.282 0.000 1.158 96 A CA -0.677 51.616 52.037 0.426 0.000 0.821 96 A CB 0.790 20.050 19.000 0.434 0.000 1.170 96 A HN 0.771 nan 8.150 nan 0.000 0.490 97 R N 0.428 121.069 120.500 0.236 0.000 2.599 97 R HA 0.612 4.952 4.340 -0.000 0.000 0.295 97 R C -0.418 175.817 176.300 -0.110 0.000 0.963 97 R CA -0.415 55.751 56.100 0.110 0.000 0.883 97 R CB 2.142 32.537 30.300 0.159 0.000 1.171 97 R HN 0.879 nan 8.270 nan 0.000 0.450 98 T N -2.237 112.119 114.554 -0.329 0.000 2.950 98 T HA 0.190 4.540 4.350 -0.000 0.000 0.288 98 T C 0.007 174.535 174.700 -0.286 0.000 1.035 98 T CA -0.963 60.616 62.100 -0.868 0.000 1.028 98 T CB 1.616 69.590 68.868 -1.490 0.000 1.109 98 T HN 0.405 nan 8.240 nan 0.000 0.514 99 D N 1.522 121.794 120.400 -0.213 0.000 2.493 99 D HA 0.087 4.726 4.640 -0.000 0.000 0.240 99 D C -1.423 174.900 176.300 0.039 0.000 1.142 99 D CA -1.450 52.575 54.000 0.041 0.000 0.872 99 D CB 1.318 42.247 40.800 0.214 0.000 1.173 99 D HN 0.234 nan 8.370 nan 0.000 0.467 100 P HA -0.089 nan 4.420 nan 0.000 0.221 100 P C 0.851 178.221 177.300 0.117 0.000 1.145 100 P CA 1.058 64.316 63.100 0.263 0.000 0.795 100 P CB 0.197 32.037 31.700 0.233 0.000 0.775 101 R N -1.249 119.297 120.500 0.077 0.000 2.299 101 R HA 0.031 4.371 4.340 -0.000 0.000 0.197 101 R C 0.375 176.693 176.300 0.029 0.000 0.971 101 R CA 0.531 56.663 56.100 0.054 0.000 1.030 101 R CB -0.188 30.153 30.300 0.068 0.000 0.932 101 R HN 0.087 nan 8.270 nan 0.000 0.477 102 D N 0.271 120.678 120.400 0.012 0.000 2.607 102 D HA 0.063 4.703 4.640 -0.000 0.000 0.318 102 D C 0.439 176.657 176.300 -0.135 0.000 1.212 102 D CA -0.245 53.774 54.000 0.031 0.000 0.861 102 D CB 1.011 41.968 40.800 0.262 0.000 1.064 102 D HN -0.020 nan 8.370 nan 0.000 0.500 103 V N -0.787 118.950 119.914 -0.295 0.000 3.502 103 V HA 0.832 4.952 4.120 -0.000 0.000 0.288 103 V C 0.585 176.182 176.094 -0.829 0.000 1.461 103 V CA 0.392 62.367 62.300 -0.540 0.000 1.029 103 V CB -0.038 31.284 31.823 -0.836 0.000 0.843 103 V HN 0.338 nan 8.190 nan 0.000 0.438 104 A N 0.064 122.332 122.820 -0.920 0.000 2.557 104 A HA 0.752 5.072 4.320 -0.000 0.000 0.292 104 A C -0.580 176.619 177.584 -0.641 0.000 1.139 104 A CA -1.076 50.299 52.037 -1.103 0.000 0.665 104 A CB 0.990 19.714 19.000 -0.459 0.000 1.285 104 A HN 0.226 nan 8.150 nan 0.000 0.433 105 R N -0.594 119.774 120.500 -0.221 0.000 2.694 105 R HA 0.440 4.780 4.340 -0.000 0.000 0.268 105 R C -1.017 175.278 176.300 -0.009 0.000 1.061 105 R CA -0.077 56.073 56.100 0.083 0.000 1.133 105 R CB 0.619 31.039 30.300 0.201 0.000 1.020 105 R HN 0.372 nan 8.270 nan 0.000 0.475 106 V N 2.930 122.872 119.914 0.046 0.000 2.305 106 V HA 0.081 4.201 4.120 -0.000 0.000 0.275 106 V C 0.631 176.742 176.094 0.028 0.000 1.020 106 V CA -0.307 61.996 62.300 0.006 0.000 0.811 106 V CB 0.985 32.828 31.823 0.034 0.000 1.031 106 V HN 0.837 nan 8.190 nan 0.000 0.439 107 E N 2.026 122.215 120.200 -0.018 0.000 2.110 107 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 107 E C 2.119 178.747 176.600 0.047 0.000 0.988 107 E CA 1.501 57.911 56.400 0.017 0.000 0.804 107 E CB 0.071 29.792 29.700 0.035 0.000 0.745 107 E HN 0.832 nan 8.360 nan 0.000 0.458 108 S N 0.686 116.406 115.700 0.033 0.000 2.507 108 S HA -0.074 4.396 4.470 -0.000 0.000 0.235 108 S C 1.486 176.125 174.600 0.065 0.000 0.988 108 S CA 0.799 59.030 58.200 0.052 0.000 0.944 108 S CB -0.008 63.216 63.200 0.040 0.000 0.762 108 S HN 0.092 nan 8.310 nan 0.000 0.526 109 K N 0.901 121.346 120.400 0.075 0.000 2.414 109 K HA 0.217 4.537 4.320 -0.000 0.000 0.204 109 K C -0.614 176.066 176.600 0.132 0.000 1.026 109 K CA -0.042 56.305 56.287 0.099 0.000 1.108 109 K CB 0.968 33.528 32.500 0.101 0.000 0.855 109 K HN 0.218 nan 8.250 nan 0.000 0.517 110 T N 1.736 116.370 114.554 0.133 0.000 2.771 110 T HA 0.391 4.741 4.350 -0.000 0.000 0.281 110 T C -0.386 174.415 174.700 0.169 0.000 0.982 110 T CA -0.691 61.520 62.100 0.185 0.000 0.978 110 T CB 1.494 70.474 68.868 0.188 0.000 0.930 110 T HN 0.015 nan 8.240 nan 0.000 0.447 111 V N 1.604 121.646 119.914 0.213 0.000 3.078 111 V HA 0.766 4.886 4.120 -0.000 0.000 0.311 111 V C -1.317 174.891 176.094 0.190 0.000 1.138 111 V CA -1.335 61.055 62.300 0.150 0.000 1.007 111 V CB 1.854 33.720 31.823 0.073 0.000 1.045 111 V HN 0.765 nan 8.190 nan 0.000 0.432 112 L N 2.781 124.072 121.223 0.114 0.000 2.325 112 L HA 0.667 5.007 4.340 -0.000 0.000 0.281 112 L C -0.730 176.153 176.870 0.021 0.000 1.004 112 L CA -0.827 54.083 54.840 0.117 0.000 0.823 112 L CB 1.947 44.101 42.059 0.159 0.000 1.236 112 L HN 0.555 nan 8.230 nan 0.000 0.415 113 V N 2.243 122.115 119.914 -0.070 0.000 2.318 113 V HA 0.511 4.631 4.120 -0.000 0.000 0.271 113 V C 0.232 176.328 176.094 0.003 0.000 1.030 113 V CA -0.291 61.903 62.300 -0.177 0.000 0.844 113 V CB 1.191 32.751 31.823 -0.438 0.000 1.015 113 V HN 0.898 nan 8.190 nan 0.000 0.460 114 T N 2.619 117.287 114.554 0.190 0.000 2.916 114 T HA 0.504 4.854 4.350 -0.000 0.000 0.305 114 T C -2.385 172.561 174.700 0.410 0.000 1.119 114 T CA -1.971 60.298 62.100 0.283 0.000 1.008 114 T CB 2.607 71.651 68.868 0.294 0.000 1.129 114 T HN 0.256 nan 8.240 nan 0.000 0.480 115 P HA 0.077 nan 4.420 nan 0.000 0.218 115 P C 0.166 177.627 177.300 0.267 0.000 1.149 115 P CA 0.863 64.113 63.100 0.249 0.000 0.817 115 P CB 0.157 31.936 31.700 0.133 0.000 0.785 116 E N -0.863 119.426 120.200 0.149 0.000 2.092 116 E HA 0.107 4.457 4.350 -0.000 0.000 0.271 116 E C 1.009 177.427 176.600 -0.304 0.000 0.919 116 E CA -0.318 56.049 56.400 -0.055 0.000 0.760 116 E CB 0.558 30.226 29.700 -0.053 0.000 1.106 116 E HN -0.027 nan 8.360 nan 0.000 0.408 117 Q N 2.565 121.814 119.800 -0.918 0.000 2.096 117 Q HA -0.252 4.088 4.340 -0.000 0.000 0.208 117 Q C 1.461 177.044 176.000 -0.694 0.000 0.993 117 Q CA 2.261 57.069 55.803 -1.660 0.000 0.862 117 Q CB -0.067 27.575 28.738 -1.828 0.000 0.915 117 Q HN 0.596 nan 8.270 nan 0.000 0.416 118 S N -0.445 115.000 115.700 -0.426 0.000 2.500 118 S HA -0.132 4.338 4.470 -0.000 0.000 0.239 118 S C 1.092 175.612 174.600 -0.135 0.000 0.989 118 S CA 1.165 59.224 58.200 -0.235 0.000 0.951 118 S CB -0.106 62.989 63.200 -0.175 0.000 0.759 118 S HN 0.386 nan 8.310 nan 0.000 0.523 119 D N 1.633 121.967 120.400 -0.109 0.000 2.277 119 D HA 0.217 4.857 4.640 -0.000 0.000 0.208 119 D C 1.980 178.310 176.300 0.051 0.000 0.962 119 D CA 1.151 55.148 54.000 -0.005 0.000 0.865 119 D CB -0.141 40.672 40.800 0.021 0.000 0.939 119 D HN 0.601 nan 8.370 nan 0.000 0.510 120 A N 0.080 122.909 122.820 0.015 0.000 1.942 120 A HA 0.261 4.581 4.320 -0.000 0.000 0.209 120 A C 0.964 178.541 177.584 -0.012 0.000 1.214 120 A CA 0.618 52.705 52.037 0.084 0.000 0.686 120 A CB 0.332 19.484 19.000 0.253 0.000 0.871 120 A HN 0.097 nan 8.150 nan 0.000 0.460 121 V N -4.765 115.095 119.914 -0.091 0.000 3.114 121 V HA 0.646 4.766 4.120 -0.000 0.000 0.308 121 V C -3.433 172.544 176.094 -0.195 0.000 1.168 121 V CA -2.732 59.477 62.300 -0.151 0.000 1.015 121 V CB 1.589 33.360 31.823 -0.086 0.000 1.050 121 V HN 0.057 nan 8.190 nan 0.000 0.433 122 P HA 0.405 nan 4.420 nan 0.000 0.274 122 P C -2.830 174.360 177.300 -0.183 0.000 1.260 122 P CA -1.410 61.557 63.100 -0.221 0.000 0.793 122 P CB -0.609 30.898 31.700 -0.321 0.000 1.048 123 P HA 0.081 nan 4.420 nan 0.000 0.264 123 P C -2.245 174.988 177.300 -0.112 0.000 1.183 123 P CA -0.337 62.692 63.100 -0.118 0.000 0.763 123 P CB -1.233 30.415 31.700 -0.088 0.000 0.807 124 P HA 0.041 nan 4.420 nan 0.000 0.265 124 P C -2.294 174.971 177.300 -0.058 0.000 1.187 124 P CA -0.587 62.477 63.100 -0.060 0.000 0.766 124 P CB -0.871 30.811 31.700 -0.031 0.000 0.820 125 P HA 0.038 nan 4.420 nan 0.000 0.262 125 P C -1.882 175.399 177.300 -0.031 0.000 1.199 125 P CA -0.847 62.222 63.100 -0.051 0.000 0.763 125 P CB -0.311 31.363 31.700 -0.044 0.000 0.790 126 P HA -0.128 nan 4.420 nan 0.000 0.219 126 P C 1.034 178.328 177.300 -0.010 0.000 1.146 126 P CA 1.455 64.544 63.100 -0.018 0.000 0.808 126 P CB -0.029 31.661 31.700 -0.017 0.000 0.779 127 S N -1.927 113.767 115.700 -0.009 0.000 2.607 127 S HA 0.208 4.678 4.470 -0.000 0.000 0.224 127 S C 1.686 176.286 174.600 0.000 0.000 0.969 127 S CA 0.902 59.100 58.200 -0.003 0.000 0.927 127 S CB -0.786 62.413 63.200 -0.001 0.000 0.772 127 S HN 0.363 nan 8.310 nan 0.000 0.533 128 G N 0.929 109.729 108.800 -0.001 0.000 2.217 128 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.246 128 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.246 128 G C 0.430 175.336 174.900 0.008 0.000 0.990 128 G CA -0.175 44.928 45.100 0.004 0.000 0.627 128 G HN 0.818 nan 8.290 nan 0.000 0.522 129 G N 0.669 109.473 108.800 0.007 0.000 2.699 129 G HA2 0.476 4.436 3.960 -0.000 0.000 0.246 129 G HA3 0.476 4.436 3.960 -0.000 0.000 0.246 129 G C -1.571 173.337 174.900 0.014 0.000 1.219 129 G CA -0.017 45.090 45.100 0.012 0.000 0.866 129 G HN 0.328 nan 8.290 nan 0.000 0.572 130 P HA 0.199 nan 4.420 nan 0.000 0.271 130 P C -2.212 175.100 177.300 0.019 0.000 1.218 130 P CA -0.985 62.133 63.100 0.029 0.000 0.780 130 P CB 0.304 32.029 31.700 0.042 0.000 0.901 131 P HA 0.032 nan 4.420 nan 0.000 0.268 131 P C -0.068 177.234 177.300 0.004 0.000 1.205 131 P CA 0.249 63.347 63.100 -0.003 0.000 0.771 131 P CB 0.691 32.398 31.700 0.013 0.000 0.858 132 Q N 1.477 121.263 119.800 -0.024 0.000 2.217 132 Q HA 0.254 4.594 4.340 -0.000 0.000 0.217 132 Q C 0.763 176.774 176.000 0.018 0.000 0.844 132 Q CA 0.215 56.028 55.803 0.016 0.000 0.957 132 Q CB 0.530 29.305 28.738 0.063 0.000 1.127 132 Q HN 0.518 nan 8.270 nan 0.000 0.503 133 L N -0.585 120.611 121.223 -0.045 0.000 3.358 133 L HA 0.497 4.837 4.340 -0.000 0.000 0.301 133 L C 0.220 177.099 176.870 0.015 0.000 1.276 133 L CA -0.301 54.516 54.840 -0.039 0.000 1.028 133 L CB 1.260 43.116 42.059 -0.338 0.000 1.421 133 L HN 0.109 nan 8.230 nan 0.000 0.604 134 G N 0.145 108.966 108.800 0.034 0.000 2.402 134 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.666 134 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.666 134 G C -1.528 173.414 174.900 0.069 0.000 1.402 134 G CA -0.976 44.158 45.100 0.056 0.000 0.920 134 G HN 0.183 nan 8.290 nan 0.000 0.651 135 N N 0.097 118.855 118.700 0.098 0.000 2.479 135 N HA 0.472 5.212 4.740 -0.000 0.000 0.261 135 N C -0.525 175.086 175.510 0.169 0.000 0.979 135 N CA -0.522 52.600 53.050 0.120 0.000 0.930 135 N CB 1.621 40.164 38.487 0.093 0.000 1.172 135 N HN 0.664 nan 8.380 nan 0.000 0.499 136 W N 4.779 126.089 121.300 0.017 0.000 2.261 136 W HA 0.435 5.095 4.660 0.000 0.000 0.323 136 W C -0.709 175.832 176.519 0.037 0.000 1.243 136 W CA -0.612 56.746 57.345 0.020 0.000 1.210 136 W CB 0.633 30.096 29.460 0.005 0.000 1.149 136 W HN 0.304 nan 8.180 nan 0.000 0.562 137 M N 6.424 125.543 119.600 -0.801 0.000 2.326 137 M HA 0.294 4.774 4.480 -0.000 0.000 0.292 137 M C -0.238 175.286 176.300 -1.294 0.000 1.081 137 M CA -0.558 54.219 55.300 -0.872 0.000 0.919 137 M CB 1.540 33.950 32.600 -0.317 0.000 1.634 137 M HN 0.543 nan 8.290 nan 0.000 0.451 138 S N 4.299 119.207 115.700 -1.321 0.000 2.579 138 S HA 0.339 4.809 4.470 -0.000 0.000 0.275 138 S C -2.279 172.180 174.600 -0.235 0.000 1.345 138 S CA -0.780 56.978 58.200 -0.737 0.000 1.031 138 S CB 0.468 63.437 63.200 -0.385 0.000 0.892 138 S HN 0.618 nan 8.310 nan 0.000 0.529 139 P HA -0.111 nan 4.420 nan 0.000 0.216 139 P C 0.934 178.283 177.300 0.083 0.000 1.153 139 P CA 1.588 64.732 63.100 0.074 0.000 0.858 139 P CB -0.182 31.570 31.700 0.086 0.000 0.789 140 N N -0.848 117.871 118.700 0.032 0.000 2.069 140 N HA -0.151 4.589 4.740 -0.000 0.000 0.191 140 N C 1.761 177.265 175.510 -0.011 0.000 1.031 140 N CA 1.514 54.571 53.050 0.012 0.000 0.852 140 N CB -0.695 37.800 38.487 0.013 0.000 1.018 140 N HN 0.033 nan 8.380 nan 0.000 0.423 141 A N 0.187 122.986 122.820 -0.035 0.000 1.902 141 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 141 A C 2.000 179.584 177.584 0.000 0.000 1.181 141 A CA 1.007 53.017 52.037 -0.045 0.000 0.623 141 A CB -0.910 18.026 19.000 -0.107 0.000 0.818 141 A HN 0.396 nan 8.150 nan 0.000 0.443 142 F N 0.834 120.712 119.950 -0.120 0.000 2.102 142 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 142 F C 2.405 178.173 175.800 -0.053 0.000 1.105 142 F CA 2.156 60.106 58.000 -0.083 0.000 1.239 142 F CB -0.653 38.296 39.000 -0.086 0.000 0.991 142 F HN 0.332 nan 8.300 nan 0.000 0.474 143 Q N 0.108 119.789 119.800 -0.198 0.000 2.077 143 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 143 Q C 2.478 178.336 176.000 -0.237 0.000 0.989 143 Q CA 2.000 57.649 55.803 -0.257 0.000 0.853 143 Q CB -0.622 28.061 28.738 -0.093 0.000 0.907 143 Q HN 0.544 nan 8.270 nan 0.000 0.418 144 A N 0.854 123.585 122.820 -0.149 0.000 1.902 144 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 144 A C 2.296 179.793 177.584 -0.145 0.000 1.181 144 A CA 1.564 53.530 52.037 -0.118 0.000 0.623 144 A CB -0.885 18.072 19.000 -0.073 0.000 0.818 144 A HN 0.417 nan 8.150 nan 0.000 0.443 145 A N -0.550 122.174 122.820 -0.160 0.000 1.908 145 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 145 A C 2.232 179.692 177.584 -0.208 0.000 1.181 145 A CA 1.870 53.816 52.037 -0.151 0.000 0.627 145 A CB -0.945 18.014 19.000 -0.069 0.000 0.818 145 A HN 0.395 nan 8.150 nan 0.000 0.445 146 V N 0.017 119.735 119.914 -0.326 0.000 2.343 146 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 146 V C 2.760 178.786 176.094 -0.113 0.000 1.051 146 V CA 2.116 64.285 62.300 -0.218 0.000 1.036 146 V CB -0.668 30.857 31.823 -0.496 0.000 0.654 146 V HN 0.667 nan 8.190 nan 0.000 0.451 147 Q N 0.193 119.900 119.800 -0.154 0.000 2.170 147 Q HA -0.260 4.080 4.340 -0.000 0.000 0.203 147 Q C 2.253 178.191 176.000 -0.104 0.000 0.976 147 Q CA 2.120 57.861 55.803 -0.103 0.000 0.858 147 Q CB -0.084 28.596 28.738 -0.096 0.000 0.907 147 Q HN 0.820 nan 8.270 nan 0.000 0.433 148 E N -0.556 119.562 120.200 -0.138 0.000 2.208 148 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 148 E C 1.683 178.145 176.600 -0.229 0.000 0.988 148 E CA 0.596 56.907 56.400 -0.148 0.000 0.828 148 E CB 0.261 29.881 29.700 -0.134 0.000 0.763 148 E HN 0.243 nan 8.360 nan 0.000 0.478 149 R N -1.318 118.958 120.500 -0.372 0.000 2.119 149 R HA 0.147 4.487 4.340 -0.000 0.000 0.202 149 R C 1.995 177.901 176.300 -0.657 0.000 1.114 149 R CA 0.514 56.119 56.100 -0.825 0.000 1.089 149 R CB -0.173 29.086 30.300 -1.735 0.000 1.000 149 R HN 0.085 nan 8.270 nan 0.000 0.487 150 F N 1.529 121.269 119.950 -0.350 0.000 2.234 150 F HA 0.085 4.612 4.527 0.000 0.000 0.296 150 F C -1.291 174.495 175.800 -0.024 0.000 1.089 150 F CA -0.291 57.660 58.000 -0.083 0.000 1.343 150 F CB -0.943 38.023 39.000 -0.058 0.000 1.040 150 F HN -0.205 nan 8.300 nan 0.000 0.498 151 P HA 0.071 nan 4.420 nan 0.000 0.260 151 P C 0.660 177.987 177.300 0.044 0.000 1.185 151 P CA 1.511 64.644 63.100 0.055 0.000 0.763 151 P CB 0.125 31.833 31.700 0.012 0.000 0.776 152 G N 3.106 111.935 108.800 0.048 0.000 2.166 152 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.260 152 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.260 152 G C 1.164 176.087 174.900 0.037 0.000 0.986 152 G CA 0.332 45.450 45.100 0.031 0.000 0.683 152 G HN 0.692 nan 8.290 nan 0.000 0.527 153 C N -1.314 118.029 119.300 0.071 0.000 2.432 153 C HA 0.404 4.864 4.460 -0.000 0.000 0.282 153 C C 2.401 177.397 174.990 0.011 0.000 1.388 153 C CA 1.405 60.463 59.018 0.065 0.000 1.777 153 C CB -0.679 27.151 27.740 0.150 0.000 1.882 153 C HN 0.495 nan 8.230 nan 0.000 0.520 154 M N 1.508 121.121 119.600 0.020 0.000 2.453 154 M HA 0.287 4.767 4.480 -0.000 0.000 0.239 154 M C 1.095 177.383 176.300 -0.019 0.000 1.151 154 M CA 0.028 55.322 55.300 -0.009 0.000 0.989 154 M CB -0.165 32.436 32.600 0.001 0.000 1.548 154 M HN 0.387 nan 8.290 nan 0.000 0.479 155 A N 0.874 123.687 122.820 -0.013 0.000 2.584 155 A HA 0.329 4.649 4.320 -0.000 0.000 0.239 155 A C 1.475 179.044 177.584 -0.025 0.000 1.043 155 A CA 1.075 53.102 52.037 -0.017 0.000 0.756 155 A CB -0.593 18.400 19.000 -0.011 0.000 0.963 155 A HN 0.886 nan 8.150 nan 0.000 0.511 156 G N 2.276 111.060 108.800 -0.027 0.000 2.179 156 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 156 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 156 G C 0.326 175.205 174.900 -0.034 0.000 0.977 156 G CA 0.738 45.821 45.100 -0.028 0.000 0.641 156 G HN 1.004 nan 8.290 nan 0.000 0.533 157 R N 0.284 120.759 120.500 -0.041 0.000 2.778 157 R HA 0.553 4.893 4.340 -0.000 0.000 0.277 157 R C -2.880 173.366 176.300 -0.090 0.000 0.977 157 R CA -2.139 53.933 56.100 -0.047 0.000 0.950 157 R CB 1.721 32.002 30.300 -0.032 0.000 1.165 157 R HN 0.044 nan 8.270 nan 0.000 0.474 158 P HA 0.086 nan 4.420 nan 0.000 0.275 158 P C -0.938 176.166 177.300 -0.326 0.000 1.228 158 P CA -0.391 62.517 63.100 -0.320 0.000 0.786 158 P CB 0.622 31.963 31.700 -0.597 0.000 0.927 159 L N 3.662 124.707 121.223 -0.297 0.000 2.272 159 L HA 0.432 4.772 4.340 -0.000 0.000 0.289 159 L C -1.088 175.623 176.870 -0.265 0.000 1.032 159 L CA -0.655 54.078 54.840 -0.179 0.000 0.810 159 L CB 0.122 42.122 42.059 -0.098 0.000 1.205 159 L HN 0.273 nan 8.230 nan 0.000 0.422 160 Y N 3.920 124.222 120.300 0.004 0.000 2.320 160 Y HA 0.428 4.978 4.550 -0.000 0.000 0.334 160 Y C 0.048 175.958 175.900 0.018 0.000 1.055 160 Y CA -0.684 57.420 58.100 0.006 0.000 1.143 160 Y CB 1.704 40.168 38.460 0.007 0.000 1.193 160 Y HN 0.213 nan 8.280 nan 0.000 0.477 161 V N 5.795 125.800 119.914 0.152 0.000 2.350 161 V HA 0.293 4.413 4.120 -0.000 0.000 0.276 161 V C -0.088 176.083 176.094 0.128 0.000 1.028 161 V CA -0.672 61.695 62.300 0.112 0.000 0.860 161 V CB 0.519 32.373 31.823 0.050 0.000 0.990 161 V HN 0.584 nan 8.190 nan 0.000 0.453 162 I N 7.600 128.263 120.570 0.156 0.000 2.347 162 I HA 0.341 4.511 4.170 -0.000 0.000 0.283 162 I C -2.496 173.757 176.117 0.227 0.000 1.058 162 I CA -1.932 59.465 61.300 0.162 0.000 1.202 162 I CB 1.524 39.604 38.000 0.133 0.000 1.386 162 I HN 0.406 nan 8.210 nan 0.000 0.475 163 P HA 0.266 nan 4.420 nan 0.000 0.281 163 P C -0.919 176.467 177.300 0.144 0.000 1.252 163 P CA -0.010 63.120 63.100 0.050 0.000 0.778 163 P CB 0.398 32.076 31.700 -0.036 0.000 0.895 164 F N -0.296 119.641 119.950 -0.023 0.000 2.643 164 F HA 0.821 5.348 4.527 -0.000 0.000 0.314 164 F C -0.914 174.894 175.800 0.014 0.000 1.096 164 F CA -1.252 56.745 58.000 -0.004 0.000 0.953 164 F CB 1.359 40.361 39.000 0.003 0.000 1.345 164 F HN 0.180 nan 8.300 nan 0.000 0.468 165 S N 2.170 117.971 115.700 0.169 0.000 2.521 165 S HA 0.696 5.166 4.470 -0.000 0.000 0.295 165 S C -1.052 173.683 174.600 0.225 0.000 1.098 165 S CA -0.802 57.453 58.200 0.092 0.000 0.999 165 S CB 1.022 64.248 63.200 0.043 0.000 1.034 165 S HN 0.613 nan 8.310 nan 0.000 0.483 166 M N 3.960 123.708 119.600 0.247 0.000 2.069 166 M HA 0.465 4.944 4.480 -0.000 0.000 0.349 166 M C 0.715 177.047 176.300 0.053 0.000 1.194 166 M CA 0.059 55.468 55.300 0.180 0.000 1.081 166 M CB -0.405 32.398 32.600 0.337 0.000 1.500 166 M HN 1.029 nan 8.290 nan 0.000 0.438 167 G N 5.674 114.452 108.800 -0.035 0.000 2.699 167 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.686 167 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.686 167 G C -3.255 171.624 174.900 -0.036 0.000 1.301 167 G CA -1.410 43.656 45.100 -0.058 0.000 0.816 167 G HN 0.402 nan 8.290 nan 0.000 0.595 168 P HA 0.153 nan 4.420 nan 0.000 0.262 168 P C -1.431 175.851 177.300 -0.031 0.000 1.182 168 P CA -0.791 62.270 63.100 -0.064 0.000 0.761 168 P CB 0.464 32.104 31.700 -0.100 0.000 0.795 169 P HA -0.172 nan 4.420 nan 0.000 0.219 169 P C 1.107 178.396 177.300 -0.019 0.000 1.146 169 P CA 1.844 64.937 63.100 -0.013 0.000 0.808 169 P CB -0.476 31.215 31.700 -0.015 0.000 0.779 170 T N -4.612 109.926 114.554 -0.026 0.000 3.129 170 T HA 0.081 4.431 4.350 -0.000 0.000 0.251 170 T C 0.973 175.655 174.700 -0.031 0.000 1.117 170 T CA -0.165 61.919 62.100 -0.027 0.000 1.034 170 T CB -0.686 68.165 68.868 -0.029 0.000 0.968 170 T HN 0.023 nan 8.240 nan 0.000 0.526 171 S N 2.241 117.920 115.700 -0.034 0.000 2.572 171 S HA 0.233 4.703 4.470 -0.000 0.000 0.279 171 S C -1.417 173.165 174.600 -0.029 0.000 1.341 171 S CA -1.150 57.027 58.200 -0.039 0.000 1.043 171 S CB 0.961 64.132 63.200 -0.047 0.000 0.887 171 S HN 0.111 nan 8.310 nan 0.000 0.516 172 P HA 0.057 nan 4.420 nan 0.000 0.221 172 P C 0.723 177.998 177.300 -0.042 0.000 1.150 172 P CA 0.942 64.020 63.100 -0.037 0.000 0.800 172 P CB 0.043 31.717 31.700 -0.044 0.000 0.787 173 L N -1.958 119.240 121.223 -0.042 0.000 2.607 173 L HA 0.270 4.610 4.340 -0.000 0.000 0.228 173 L C 1.031 177.923 176.870 0.036 0.000 1.123 173 L CA -0.600 54.210 54.840 -0.049 0.000 0.890 173 L CB -0.580 41.436 42.059 -0.071 0.000 1.103 173 L HN -0.150 nan 8.230 nan 0.000 0.468 174 A N 1.222 124.069 122.820 0.045 0.000 2.561 174 A HA 0.168 4.488 4.320 -0.000 0.000 0.234 174 A C 0.187 177.863 177.584 0.154 0.000 1.055 174 A CA 0.511 52.607 52.037 0.099 0.000 0.756 174 A CB 0.143 19.169 19.000 0.044 0.000 0.986 174 A HN 0.135 nan 8.150 nan 0.000 0.505 175 K N 2.435 123.004 120.400 0.282 0.000 2.413 175 K HA 0.485 4.805 4.320 -0.000 0.000 0.257 175 K C -1.240 175.480 176.600 0.199 0.000 0.946 175 K CA -0.229 56.258 56.287 0.333 0.000 0.823 175 K CB 1.785 34.673 32.500 0.647 0.000 1.109 175 K HN 0.646 nan 8.250 nan 0.000 0.427 176 L N 1.408 122.639 121.223 0.012 0.000 2.322 176 L HA 0.633 4.973 4.340 -0.000 0.000 0.279 176 L C 0.707 177.329 176.870 -0.413 0.000 1.036 176 L CA -0.683 54.037 54.840 -0.199 0.000 0.807 176 L CB 1.785 43.777 42.059 -0.112 0.000 1.226 176 L HN 0.702 nan 8.230 nan 0.000 0.433 177 G N 1.407 109.657 108.800 -0.917 0.000 2.680 177 G HA2 0.662 4.622 3.960 -0.000 0.000 0.290 177 G HA3 0.662 4.622 3.960 -0.000 0.000 0.290 177 G C -1.698 172.818 174.900 -0.640 0.000 1.355 177 G CA -0.417 44.112 45.100 -0.951 0.000 0.903 177 G HN 0.270 nan 8.290 nan 0.000 0.474 178 V N 0.549 120.422 119.914 -0.068 0.000 2.443 178 V HA 0.445 4.565 4.120 -0.000 0.000 0.293 178 V C -0.287 176.087 176.094 0.467 0.000 1.021 178 V CA -0.598 61.797 62.300 0.159 0.000 0.848 178 V CB 1.325 33.199 31.823 0.084 0.000 0.998 178 V HN 0.816 nan 8.190 nan 0.000 0.424 179 Q N 3.849 123.964 119.800 0.525 0.000 2.307 179 Q HA 0.691 5.031 4.340 -0.000 0.000 0.262 179 Q C -0.769 175.418 176.000 0.312 0.000 0.961 179 Q CA -0.570 55.483 55.803 0.416 0.000 0.882 179 Q CB 2.043 30.920 28.738 0.231 0.000 1.264 179 Q HN 0.770 nan 8.270 nan 0.000 0.446 180 V N 1.064 121.164 119.914 0.310 0.000 2.532 180 V HA 0.883 5.003 4.120 -0.000 0.000 0.295 180 V C -0.361 175.872 176.094 0.231 0.000 1.041 180 V CA -0.292 62.121 62.300 0.187 0.000 0.926 180 V CB 1.581 33.414 31.823 0.016 0.000 0.992 180 V HN 0.815 nan 8.190 nan 0.000 0.457 181 T N 1.415 116.108 114.554 0.232 0.000 2.853 181 T HA 0.436 4.786 4.350 -0.000 0.000 0.311 181 T C -0.543 174.325 174.700 0.281 0.000 1.307 181 T CA 0.208 62.489 62.100 0.302 0.000 1.019 181 T CB 1.969 71.021 68.868 0.307 0.000 1.264 181 T HN 1.012 nan 8.240 nan 0.000 0.497 182 D N 0.942 121.473 120.400 0.219 0.000 2.363 182 D HA 0.230 4.870 4.640 -0.000 0.000 0.214 182 D C 0.377 176.800 176.300 0.205 0.000 1.093 182 D CA -0.160 53.948 54.000 0.179 0.000 0.837 182 D CB 0.293 41.116 40.800 0.038 0.000 0.948 182 D HN 0.256 nan 8.370 nan 0.000 0.507 183 S N 0.755 116.569 115.700 0.190 0.000 2.566 183 S HA 0.416 4.886 4.470 -0.000 0.000 0.324 183 S C -2.011 172.550 174.600 -0.066 0.000 1.081 183 S CA -1.518 56.720 58.200 0.063 0.000 1.105 183 S CB 1.659 64.898 63.200 0.065 0.000 0.981 183 S HN -0.260 nan 8.310 nan 0.000 0.464 184 P HA -0.090 nan 4.420 nan 0.000 0.220 184 P C 0.980 178.170 177.300 -0.183 0.000 1.148 184 P CA 0.761 63.650 63.100 -0.351 0.000 0.803 184 P CB -0.105 31.455 31.700 -0.233 0.000 0.782 185 Y N 0.587 120.787 120.300 -0.167 0.000 2.128 185 Y HA -0.218 4.332 4.550 0.000 0.000 0.284 185 Y C 2.055 177.894 175.900 -0.102 0.000 1.154 185 Y CA 1.447 59.497 58.100 -0.083 0.000 1.149 185 Y CB -0.947 37.511 38.460 -0.003 0.000 0.976 185 Y HN -0.287 nan 8.280 nan 0.000 0.505 186 V N -0.667 119.236 119.914 -0.018 0.000 2.343 186 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 186 V C 2.349 178.297 176.094 -0.243 0.000 1.051 186 V CA 1.689 63.892 62.300 -0.161 0.000 1.036 186 V CB -0.826 30.913 31.823 -0.140 0.000 0.654 186 V HN 0.390 nan 8.190 nan 0.000 0.451 187 V N -0.211 119.557 119.914 -0.244 0.000 2.287 187 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 187 V C 2.328 178.274 176.094 -0.246 0.000 1.053 187 V CA 2.129 64.272 62.300 -0.261 0.000 1.027 187 V CB -0.599 30.985 31.823 -0.398 0.000 0.646 187 V HN 0.434 nan 8.190 nan 0.000 0.447 188 L N -0.154 120.908 121.223 -0.269 0.000 2.046 188 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 188 L C 2.616 179.337 176.870 -0.249 0.000 1.077 188 L CA 1.772 56.468 54.840 -0.241 0.000 0.747 188 L CB -0.540 41.372 42.059 -0.245 0.000 0.896 188 L HN 0.321 nan 8.230 nan 0.000 0.432 189 S N -0.854 114.640 115.700 -0.342 0.000 2.371 189 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 189 S C 1.982 176.416 174.600 -0.277 0.000 1.029 189 S CA 1.040 59.035 58.200 -0.342 0.000 0.978 189 S CB -0.106 62.800 63.200 -0.490 0.000 0.833 189 S HN 0.265 nan 8.310 nan 0.000 0.466 190 M N 1.342 120.773 119.600 -0.281 0.000 2.159 190 M HA -0.014 4.466 4.480 -0.000 0.000 0.263 190 M C 2.057 178.247 176.300 -0.183 0.000 1.063 190 M CA 1.305 56.444 55.300 -0.267 0.000 1.110 190 M CB -1.065 31.363 32.600 -0.287 0.000 1.374 190 M HN 0.249 nan 8.290 nan 0.000 0.411 191 R N -0.066 120.345 120.500 -0.148 0.000 2.096 191 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 191 R C 2.161 178.415 176.300 -0.077 0.000 1.127 191 R CA 1.223 57.268 56.100 -0.091 0.000 0.968 191 R CB -0.349 29.899 30.300 -0.087 0.000 0.861 191 R HN 0.335 nan 8.270 nan 0.000 0.440 192 I N -0.085 120.424 120.570 -0.101 0.000 2.286 192 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 192 I C 2.002 178.064 176.117 -0.093 0.000 1.104 192 I CA 0.917 62.168 61.300 -0.081 0.000 1.397 192 I CB -0.009 37.944 38.000 -0.079 0.000 1.072 192 I HN 0.137 nan 8.210 nan 0.000 0.417 193 M N -0.095 119.430 119.600 -0.125 0.000 2.514 193 M HA 0.095 4.575 4.480 -0.000 0.000 0.258 193 M C 1.033 177.272 176.300 -0.100 0.000 1.119 193 M CA 0.703 55.922 55.300 -0.135 0.000 1.111 193 M CB -0.910 31.575 32.600 -0.192 0.000 1.390 193 M HN 0.325 nan 8.290 nan 0.000 0.475 194 T N -1.653 112.855 114.554 -0.076 0.000 2.831 194 T HA 0.662 5.011 4.350 -0.000 0.000 0.287 194 T C -0.497 174.229 174.700 0.043 0.000 1.070 194 T CA -0.961 61.142 62.100 0.005 0.000 1.010 194 T CB 2.046 70.925 68.868 0.018 0.000 1.264 194 T HN -0.030 nan 8.240 nan 0.000 0.532 195 R N 0.370 120.929 120.500 0.098 0.000 2.202 195 R HA 0.672 5.012 4.340 -0.000 0.000 0.334 195 R C -1.011 175.353 176.300 0.107 0.000 1.036 195 R CA -0.375 55.772 56.100 0.078 0.000 0.878 195 R CB 0.997 31.331 30.300 0.057 0.000 1.067 195 R HN 0.542 nan 8.270 nan 0.000 0.457 196 V N 2.326 122.281 119.914 0.068 0.000 2.483 196 V HA 0.920 5.040 4.120 -0.000 0.000 0.297 196 V C 0.271 176.386 176.094 0.035 0.000 1.027 196 V CA -0.577 61.763 62.300 0.067 0.000 0.855 196 V CB 1.771 33.624 31.823 0.051 0.000 0.995 196 V HN 0.909 nan 8.190 nan 0.000 0.424 197 G N 4.912 113.729 108.800 0.027 0.000 2.328 197 G HA2 0.469 4.429 3.960 -0.000 0.000 0.295 197 G HA3 0.469 4.429 3.960 -0.000 0.000 0.295 197 G C -2.703 172.200 174.900 0.006 0.000 1.413 197 G CA -0.176 44.933 45.100 0.015 0.000 0.817 197 G HN 0.374 nan 8.290 nan 0.000 0.546 198 P HA -0.107 nan 4.420 nan 0.000 0.215 198 P C 2.118 179.412 177.300 -0.010 0.000 1.157 198 P CA 2.373 65.471 63.100 -0.004 0.000 0.874 198 P CB -0.075 31.624 31.700 -0.003 0.000 0.790 199 A N -0.382 122.433 122.820 -0.009 0.000 2.032 199 A HA -0.143 4.177 4.320 -0.000 0.000 0.221 199 A C 2.425 179.997 177.584 -0.020 0.000 1.165 199 A CA 1.905 53.933 52.037 -0.014 0.000 0.645 199 A CB -1.603 17.390 19.000 -0.012 0.000 0.807 199 A HN 0.110 nan 8.150 nan 0.000 0.453 200 V N -0.311 119.592 119.914 -0.019 0.000 2.323 200 V HA -0.202 3.918 4.120 -0.000 0.000 0.244 200 V C 2.479 178.539 176.094 -0.056 0.000 1.041 200 V CA 1.605 63.885 62.300 -0.034 0.000 1.025 200 V CB -0.754 31.057 31.823 -0.020 0.000 0.656 200 V HN 0.578 nan 8.190 nan 0.000 0.451 201 L N -0.350 120.845 121.223 -0.047 0.000 2.012 201 L HA -0.301 4.039 4.340 -0.000 0.000 0.210 201 L C 2.810 179.649 176.870 -0.052 0.000 1.073 201 L CA 1.976 56.782 54.840 -0.057 0.000 0.748 201 L CB -0.523 41.513 42.059 -0.038 0.000 0.891 201 L HN 0.421 nan 8.230 nan 0.000 0.431 202 Q N -0.848 118.930 119.800 -0.036 0.000 2.152 202 Q HA -0.221 4.119 4.340 -0.000 0.000 0.206 202 Q C 2.093 178.074 176.000 -0.032 0.000 0.985 202 Q CA 1.363 57.149 55.803 -0.029 0.000 0.863 202 Q CB 0.023 28.748 28.738 -0.021 0.000 0.904 202 Q HN 0.324 nan 8.270 nan 0.000 0.422 203 R N -0.085 120.393 120.500 -0.037 0.000 2.254 203 R HA 0.124 4.464 4.340 -0.000 0.000 0.195 203 R C 0.370 176.645 176.300 -0.042 0.000 0.957 203 R CA -0.094 55.986 56.100 -0.033 0.000 1.024 203 R CB -0.530 29.753 30.300 -0.029 0.000 0.952 203 R HN 0.167 nan 8.270 nan 0.000 0.484 204 L N 1.687 122.868 121.223 -0.070 0.000 2.453 204 L HA 0.074 4.414 4.340 -0.000 0.000 0.272 204 L C 0.165 176.992 176.870 -0.071 0.000 1.182 204 L CA 0.541 55.315 54.840 -0.109 0.000 0.858 204 L CB 0.467 42.405 42.059 -0.202 0.000 1.120 204 L HN -0.045 nan 8.230 nan 0.000 0.474 205 D N 1.969 122.358 120.400 -0.018 0.000 2.831 205 D HA 0.364 5.004 4.640 -0.000 0.000 0.240 205 D C 0.364 176.763 176.300 0.166 0.000 1.183 205 D CA 0.555 54.585 54.000 0.050 0.000 1.079 205 D CB 1.119 41.952 40.800 0.056 0.000 1.262 205 D HN 0.516 nan 8.370 nan 0.000 0.634 206 D N -0.931 119.574 120.400 0.176 0.000 2.349 206 D HA 0.029 4.669 4.640 -0.000 0.000 0.215 206 D C 0.125 176.527 176.300 0.170 0.000 1.016 206 D CA 0.191 54.325 54.000 0.223 0.000 0.870 206 D CB -0.059 40.797 40.800 0.094 0.000 0.917 206 D HN 0.201 nan 8.370 nan 0.000 0.524 207 D N -0.038 120.469 120.400 0.179 0.000 2.468 207 D HA 0.424 5.064 4.640 -0.000 0.000 0.218 207 D C -0.651 175.754 176.300 0.176 0.000 1.155 207 D CA -0.530 53.522 54.000 0.087 0.000 0.924 207 D CB -0.839 39.995 40.800 0.055 0.000 1.029 207 D HN 0.500 nan 8.370 nan 0.000 0.515 208 F N 0.880 120.762 119.950 -0.114 0.000 2.799 208 F HA 0.344 4.871 4.527 -0.000 0.000 0.316 208 F C -1.948 173.700 175.800 -0.253 0.000 1.155 208 F CA -1.402 56.479 58.000 -0.198 0.000 0.916 208 F CB 0.690 39.558 39.000 -0.219 0.000 1.294 208 F HN -0.110 nan 8.300 nan 0.000 0.447 209 V N 2.847 122.580 119.914 -0.302 0.000 2.498 209 V HA 0.594 4.714 4.120 -0.000 0.000 0.279 209 V C -0.370 175.556 176.094 -0.279 0.000 1.048 209 V CA -0.428 61.627 62.300 -0.408 0.000 0.967 209 V CB 1.035 32.517 31.823 -0.569 0.000 0.988 209 V HN 0.773 nan 8.190 nan 0.000 0.473 210 R N 5.281 125.491 120.500 -0.483 0.000 2.210 210 R HA 0.453 4.793 4.340 -0.000 0.000 0.338 210 R C -0.806 175.298 176.300 -0.328 0.000 1.062 210 R CA 0.010 55.685 56.100 -0.708 0.000 0.902 210 R CB 0.424 30.015 30.300 -1.182 0.000 1.050 210 R HN 0.741 nan 8.270 nan 0.000 0.461 211 C N 4.898 124.217 119.300 0.031 0.000 2.293 211 C HA 0.438 4.898 4.460 -0.000 0.000 0.323 211 C C -0.751 174.512 174.990 0.455 0.000 1.240 211 C CA -1.021 58.143 59.018 0.244 0.000 1.497 211 C CB 0.105 28.019 27.740 0.290 0.000 2.171 211 C HN 0.630 nan 8.230 nan 0.000 0.465 212 L N 5.107 126.568 121.223 0.397 0.000 2.305 212 L HA 0.587 4.927 4.340 -0.000 0.000 0.284 212 L C -0.364 176.735 176.870 0.382 0.000 1.013 212 L CA 0.376 55.441 54.840 0.375 0.000 0.819 212 L CB 0.275 42.472 42.059 0.230 0.000 1.227 212 L HN 0.807 nan 8.230 nan 0.000 0.417 213 H N 3.504 122.745 119.070 0.285 0.000 2.717 213 H HA 0.662 5.218 4.556 -0.000 0.000 0.366 213 H C -1.793 173.696 175.328 0.269 0.000 1.132 213 H CA -0.420 55.796 56.048 0.280 0.000 1.180 213 H CB 2.086 31.947 29.762 0.166 0.000 1.678 213 H HN 0.666 nan 8.280 nan 0.000 0.537 214 S N 3.322 118.667 115.700 -0.591 0.000 2.546 214 S HA 0.176 4.646 4.470 -0.000 0.000 0.272 214 S C 0.978 175.014 174.600 -0.941 0.000 1.140 214 S CA -0.216 57.627 58.200 -0.596 0.000 0.920 214 S CB 1.065 64.134 63.200 -0.219 0.000 1.083 214 S HN 0.566 nan 8.310 nan 0.000 0.476 215 V N 2.218 121.744 119.914 -0.646 0.000 3.078 215 V HA 0.302 4.422 4.120 -0.000 0.000 0.265 215 V C 1.496 177.191 176.094 -0.666 0.000 1.122 215 V CA 1.206 63.199 62.300 -0.511 0.000 1.141 215 V CB -1.528 30.092 31.823 -0.338 0.000 0.735 215 V HN 1.975 nan 8.190 nan 0.000 0.498 216 G N 0.880 109.184 108.800 -0.826 0.000 2.225 216 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.264 216 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.264 216 G C 0.036 174.706 174.900 -0.383 0.000 1.060 216 G CA 0.296 44.806 45.100 -0.983 0.000 0.833 216 G HN 0.547 nan 8.290 nan 0.000 0.498 217 R N 0.225 120.572 120.500 -0.255 0.000 2.585 217 R HA 0.309 4.649 4.340 -0.000 0.000 0.278 217 R C -2.429 173.816 176.300 -0.091 0.000 1.663 217 R CA -1.876 54.142 56.100 -0.137 0.000 1.592 217 R CB 1.132 31.350 30.300 -0.136 0.000 1.200 217 R HN 0.323 nan 8.270 nan 0.000 0.611 218 P HA 0.039 nan 4.420 nan 0.000 0.268 218 P C -0.015 177.267 177.300 -0.031 0.000 1.208 218 P CA 0.012 63.091 63.100 -0.036 0.000 0.777 218 P CB 1.101 32.794 31.700 -0.013 0.000 0.875 219 L N 2.721 123.928 121.223 -0.027 0.000 2.358 219 L HA 0.498 4.838 4.340 -0.000 0.000 0.268 219 L C -1.877 174.985 176.870 -0.015 0.000 1.032 219 L CA -2.282 52.546 54.840 -0.021 0.000 0.805 219 L CB 0.595 42.641 42.059 -0.022 0.000 1.253 219 L HN 0.244 nan 8.230 nan 0.000 0.452 220 P HA 0.242 nan 4.420 nan 0.000 0.274 220 P C -0.811 176.484 177.300 -0.009 0.000 1.237 220 P CA -0.479 62.615 63.100 -0.010 0.000 0.793 220 P CB 0.472 32.168 31.700 -0.006 0.000 0.977 221 L N 0.838 122.055 121.223 -0.009 0.000 2.439 221 L HA 0.141 4.481 4.340 -0.000 0.000 0.269 221 L C 1.676 178.545 176.870 -0.002 0.000 1.179 221 L CA 0.081 54.917 54.840 -0.007 0.000 0.828 221 L CB 0.207 42.263 42.059 -0.006 0.000 1.106 221 L HN 0.554 nan 8.230 nan 0.000 0.467 222 T N -2.172 112.381 114.554 -0.000 0.000 3.040 222 T HA 0.164 4.514 4.350 -0.000 0.000 0.252 222 T C 0.395 175.098 174.700 0.005 0.000 1.064 222 T CA -0.033 62.069 62.100 0.003 0.000 1.110 222 T CB 0.158 69.028 68.868 0.003 0.000 0.921 222 T HN 0.563 nan 8.240 nan 0.000 0.480 223 E N 1.615 121.819 120.200 0.006 0.000 2.317 223 E HA 0.585 4.935 4.350 -0.000 0.000 0.270 223 E C -2.955 173.652 176.600 0.012 0.000 0.885 223 E CA -2.322 54.085 56.400 0.010 0.000 0.760 223 E CB 1.577 31.285 29.700 0.013 0.000 1.227 223 E HN 0.115 nan 8.360 nan 0.000 0.434 224 P HA 0.138 nan 4.420 nan 0.000 0.274 224 P C -0.692 176.626 177.300 0.029 0.000 1.246 224 P CA -0.362 62.750 63.100 0.021 0.000 0.795 224 P CB 0.531 32.245 31.700 0.022 0.000 1.006 225 L N 0.249 121.494 121.223 0.036 0.000 2.421 225 L HA 0.369 4.709 4.340 -0.000 0.000 0.263 225 L C -0.038 176.874 176.870 0.070 0.000 1.122 225 L CA -1.060 53.814 54.840 0.057 0.000 0.804 225 L CB 0.712 42.808 42.059 0.062 0.000 1.150 225 L HN 0.054 nan 8.230 nan 0.000 0.457 226 V N 0.676 120.647 119.914 0.095 0.000 2.427 226 V HA 0.155 4.275 4.120 -0.000 0.000 0.286 226 V C 0.613 176.786 176.094 0.131 0.000 1.034 226 V CA -0.282 62.069 62.300 0.085 0.000 0.893 226 V CB 1.193 33.055 31.823 0.065 0.000 0.982 226 V HN 0.968 nan 8.190 nan 0.000 0.452 227 S N 3.315 119.078 115.700 0.105 0.000 3.587 227 S HA -0.232 4.238 4.470 -0.000 0.000 0.337 227 S C 1.006 175.740 174.600 0.222 0.000 1.119 227 S CA 0.866 59.154 58.200 0.147 0.000 0.976 227 S CB -1.094 62.178 63.200 0.119 0.000 0.922 227 S HN 1.328 nan 8.310 nan 0.000 0.503 228 S N -1.824 113.981 115.700 0.175 0.000 3.445 228 S HA -0.213 4.257 4.470 -0.000 0.000 0.319 228 S C -0.267 174.445 174.600 0.186 0.000 1.209 228 S CA 1.365 59.655 58.200 0.150 0.000 0.934 228 S CB -1.318 61.961 63.200 0.132 0.000 0.999 228 S HN 0.803 nan 8.310 nan 0.000 0.582 229 W N 3.312 124.620 121.300 0.012 0.000 2.283 229 W HA 0.391 5.051 4.660 -0.000 0.000 0.317 229 W C -3.124 173.385 176.519 -0.017 0.000 1.042 229 W CA -2.299 55.041 57.345 -0.009 0.000 1.348 229 W CB 1.088 30.547 29.460 -0.002 0.000 1.216 229 W HN 0.010 nan 8.180 nan 0.000 0.404 230 P HA 0.146 nan 4.420 nan 0.000 0.276 230 P C -0.527 176.555 177.300 -0.363 0.000 1.243 230 P CA 0.283 63.202 63.100 -0.301 0.000 0.768 230 P CB 0.588 32.109 31.700 -0.298 0.000 0.856 231 C N 0.392 119.602 119.300 -0.149 0.000 3.292 231 C HA 0.648 5.108 4.460 -0.000 0.000 0.338 231 C C -1.258 173.690 174.990 -0.069 0.000 1.323 231 C CA -0.706 58.261 59.018 -0.086 0.000 1.232 231 C CB 1.493 29.311 27.740 0.130 0.000 1.517 231 C HN 0.432 nan 8.230 nan 0.000 0.470 232 D N 1.213 121.559 120.400 -0.091 0.000 2.443 232 D HA 0.457 5.096 4.640 -0.000 0.000 0.281 232 D C -1.705 174.616 176.300 0.036 0.000 1.210 232 D CA -1.616 52.365 54.000 -0.031 0.000 0.875 232 D CB 1.126 41.896 40.800 -0.051 0.000 1.125 232 D HN 0.321 nan 8.370 nan 0.000 0.503 233 P HA -0.171 nan 4.420 nan 0.000 0.216 233 P C 1.428 178.771 177.300 0.072 0.000 1.153 233 P CA 1.178 64.320 63.100 0.070 0.000 0.858 233 P CB 0.162 31.902 31.700 0.067 0.000 0.789 234 S N -1.101 114.639 115.700 0.067 0.000 2.474 234 S HA -0.061 4.409 4.470 -0.000 0.000 0.235 234 S C 1.527 176.173 174.600 0.077 0.000 0.997 234 S CA 0.680 58.917 58.200 0.062 0.000 0.949 234 S CB -0.651 62.579 63.200 0.049 0.000 0.766 234 S HN 0.157 nan 8.310 nan 0.000 0.517 235 R N 0.547 121.115 120.500 0.114 0.000 2.596 235 R HA 0.354 4.694 4.340 -0.000 0.000 0.369 235 R C -0.685 175.753 176.300 0.230 0.000 1.042 235 R CA -0.197 55.990 56.100 0.144 0.000 1.120 235 R CB 0.727 31.125 30.300 0.164 0.000 1.353 235 R HN 0.228 nan 8.270 nan 0.000 0.564 236 V N 2.363 122.390 119.914 0.188 0.000 2.720 236 V HA -0.061 4.059 4.120 -0.000 0.000 0.307 236 V C -0.098 176.118 176.094 0.204 0.000 1.071 236 V CA 0.662 63.082 62.300 0.201 0.000 1.199 236 V CB 0.668 32.577 31.823 0.143 0.000 0.900 236 V HN 0.132 nan 8.190 nan 0.000 0.494 237 L N 6.259 127.635 121.223 0.254 0.000 2.562 237 L HA 0.565 4.905 4.340 -0.000 0.000 0.266 237 L C -0.796 176.234 176.870 0.267 0.000 0.949 237 L CA 0.034 55.018 54.840 0.239 0.000 0.879 237 L CB 2.186 44.385 42.059 0.234 0.000 1.278 237 L HN 0.360 nan 8.230 nan 0.000 0.404 238 V N 4.720 124.766 119.914 0.219 0.000 2.305 238 V HA 0.871 4.991 4.120 -0.000 0.000 0.275 238 V C 0.235 176.373 176.094 0.074 0.000 1.020 238 V CA -0.177 62.230 62.300 0.178 0.000 0.811 238 V CB 0.930 32.890 31.823 0.228 0.000 1.031 238 V HN 0.895 nan 8.190 nan 0.000 0.439 239 A N 3.694 126.485 122.820 -0.049 0.000 2.340 239 A HA 0.910 5.230 4.320 -0.000 0.000 0.331 239 A C -0.931 176.380 177.584 -0.456 0.000 1.140 239 A CA -0.535 51.420 52.037 -0.137 0.000 0.801 239 A CB 0.871 19.842 19.000 -0.049 0.000 1.234 239 A HN 0.911 nan 8.150 nan 0.000 0.469 240 H N 0.432 119.441 119.070 -0.102 0.000 2.744 240 H HA 0.546 5.102 4.556 -0.000 0.000 0.339 240 H C -1.327 173.920 175.328 -0.135 0.000 1.004 240 H CA -0.288 55.731 56.048 -0.048 0.000 1.257 240 H CB 1.265 31.056 29.762 0.050 0.000 1.552 240 H HN 0.418 nan 8.280 nan 0.000 0.522 241 I N 5.019 125.556 120.570 -0.055 0.000 2.668 241 I HA 0.236 4.406 4.170 -0.000 0.000 0.276 241 I C -2.015 174.093 176.117 -0.014 0.000 1.139 241 I CA -1.665 59.576 61.300 -0.099 0.000 1.133 241 I CB 1.399 39.276 38.000 -0.206 0.000 1.327 241 I HN 0.435 nan 8.210 nan 0.000 0.520 242 P HA -0.163 nan 4.420 nan 0.000 0.215 242 P C 1.593 178.896 177.300 0.006 0.000 1.157 242 P CA 1.481 64.606 63.100 0.042 0.000 0.868 242 P CB 0.129 31.859 31.700 0.050 0.000 0.788 243 S N -0.177 115.523 115.700 0.001 0.000 2.392 243 S HA -0.213 4.257 4.470 -0.000 0.000 0.232 243 S C 1.495 176.078 174.600 -0.027 0.000 1.041 243 S CA 1.389 59.584 58.200 -0.008 0.000 1.026 243 S CB -0.934 62.270 63.200 0.007 0.000 0.845 243 S HN 0.281 nan 8.310 nan 0.000 0.465 244 E N 0.264 120.441 120.200 -0.039 0.000 2.526 244 E HA 0.192 4.542 4.350 -0.000 0.000 0.208 244 E C -0.381 176.151 176.600 -0.114 0.000 0.997 244 E CA -0.222 56.139 56.400 -0.065 0.000 0.961 244 E CB 0.258 29.931 29.700 -0.046 0.000 1.030 244 E HN 0.460 nan 8.360 nan 0.000 0.483 245 R N 0.770 121.216 120.500 -0.090 0.000 3.261 245 R HA -0.173 4.167 4.340 -0.000 0.000 0.257 245 R C 0.098 176.297 176.300 -0.168 0.000 1.014 245 R CA 0.556 56.582 56.100 -0.124 0.000 0.681 245 R CB -1.786 28.383 30.300 -0.219 0.000 1.155 245 R HN 0.076 nan 8.270 nan 0.000 0.424 246 R N 0.821 121.269 120.500 -0.087 0.000 2.626 246 R HA 0.578 4.917 4.340 -0.000 0.000 0.274 246 R C -1.165 175.116 176.300 -0.031 0.000 1.031 246 R CA -0.751 55.289 56.100 -0.099 0.000 0.898 246 R CB 1.522 31.762 30.300 -0.101 0.000 1.222 246 R HN 0.177 nan 8.270 nan 0.000 0.455 247 I N 3.418 123.983 120.570 -0.007 0.000 2.545 247 I HA 0.455 4.625 4.170 -0.000 0.000 0.292 247 I C -0.877 175.276 176.117 0.061 0.000 1.040 247 I CA -1.081 60.216 61.300 -0.005 0.000 1.068 247 I CB 2.425 40.464 38.000 0.064 0.000 1.251 247 I HN 0.205 nan 8.210 nan 0.000 0.424 248 V N 4.089 124.042 119.914 0.066 0.000 2.524 248 V HA 0.427 4.547 4.120 -0.000 0.000 0.297 248 V C -0.580 175.693 176.094 0.299 0.000 1.035 248 V CA -0.387 62.034 62.300 0.202 0.000 0.867 248 V CB 1.869 33.860 31.823 0.281 0.000 1.004 248 V HN 0.752 nan 8.190 nan 0.000 0.426 249 S N 5.259 121.215 115.700 0.426 0.000 2.561 249 S HA 0.792 5.262 4.470 -0.000 0.000 0.303 249 S C -1.424 173.472 174.600 0.494 0.000 1.110 249 S CA -0.375 58.088 58.200 0.438 0.000 1.034 249 S CB 0.913 64.354 63.200 0.402 0.000 1.010 249 S HN 0.562 nan 8.310 nan 0.000 0.482 250 F N 3.671 123.732 119.950 0.186 0.000 2.540 250 F HA 0.657 5.184 4.527 -0.000 0.000 0.317 250 F C 0.857 176.619 175.800 -0.063 0.000 1.104 250 F CA 0.563 58.502 58.000 -0.101 0.000 0.913 250 F CB 1.723 40.531 39.000 -0.321 0.000 1.170 250 F HN 0.835 nan 8.300 nan 0.000 0.450 251 G N 2.713 111.089 108.800 -0.707 0.000 2.194 251 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.236 251 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.236 251 G C -0.202 174.614 174.900 -0.140 0.000 0.987 251 G CA 0.098 44.913 45.100 -0.475 0.000 0.635 251 G HN 1.067 nan 8.290 nan 0.000 0.520 252 S N -0.821 114.879 115.700 -0.000 0.000 2.538 252 S HA 0.663 5.133 4.470 -0.000 0.000 0.288 252 S C 1.039 175.828 174.600 0.315 0.000 1.108 252 S CA 0.686 59.002 58.200 0.193 0.000 0.971 252 S CB 1.559 64.910 63.200 0.252 0.000 1.041 252 S HN 1.318 nan 8.310 nan 0.000 0.483 253 G N 1.982 110.997 108.800 0.359 0.000 2.921 253 G HA2 0.113 4.073 3.960 -0.000 0.000 0.213 253 G HA3 0.113 4.073 3.960 -0.000 0.000 0.213 253 G C 0.080 175.301 174.900 0.534 0.000 1.143 253 G CA -0.127 45.185 45.100 0.353 0.000 0.764 253 G HN 0.723 nan 8.290 nan 0.000 0.542 254 Y N 2.327 122.875 120.300 0.413 0.000 2.620 254 Y HA 0.336 4.886 4.550 -0.000 0.000 0.330 254 Y C 1.637 177.673 175.900 0.226 0.000 1.186 254 Y CA -0.096 58.194 58.100 0.318 0.000 1.467 254 Y CB 1.058 39.639 38.460 0.202 0.000 1.262 254 Y HN 0.021 nan 8.280 nan 0.000 0.550 255 G N 4.254 112.653 108.800 -0.668 0.000 2.703 255 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.222 255 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.222 255 G C 1.601 176.077 174.900 -0.707 0.000 1.183 255 G CA 1.094 45.625 45.100 -0.948 0.000 0.775 255 G HN 1.050 nan 8.290 nan 0.000 0.615 256 G N 0.221 108.683 108.800 -0.565 0.000 2.470 256 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.220 256 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.220 256 G C 1.670 176.662 174.900 0.152 0.000 1.121 256 G CA 1.148 46.264 45.100 0.027 0.000 0.766 256 G HN 0.471 nan 8.290 nan 0.000 0.553 257 N N 0.255 119.084 118.700 0.214 0.000 2.409 257 N HA -0.030 4.710 4.740 -0.000 0.000 0.174 257 N C 2.310 177.901 175.510 0.135 0.000 1.037 257 N CA 1.295 54.487 53.050 0.236 0.000 0.898 257 N CB 0.251 38.929 38.487 0.320 0.000 1.010 257 N HN 0.469 nan 8.380 nan 0.000 0.445 258 S N -0.512 115.176 115.700 -0.020 0.000 2.524 258 S HA 0.241 4.711 4.470 -0.000 0.000 0.222 258 S C 0.650 175.052 174.600 -0.330 0.000 1.040 258 S CA -0.366 57.677 58.200 -0.262 0.000 0.915 258 S CB -0.013 62.998 63.200 -0.315 0.000 0.831 258 S HN 0.022 nan 8.310 nan 0.000 0.492 259 L N 3.123 124.177 121.223 -0.282 0.000 2.375 259 L HA 0.377 4.717 4.340 -0.000 0.000 0.276 259 L C 0.823 177.577 176.870 -0.193 0.000 1.162 259 L CA -0.296 54.356 54.840 -0.314 0.000 0.991 259 L CB 0.394 42.198 42.059 -0.425 0.000 1.315 259 L HN 0.263 nan 8.230 nan 0.000 0.431 260 L N 1.729 122.858 121.223 -0.157 0.000 2.313 260 L HA -0.015 4.325 4.340 -0.000 0.000 0.214 260 L C 2.414 179.352 176.870 0.114 0.000 1.119 260 L CA 0.835 55.683 54.840 0.013 0.000 0.809 260 L CB -0.385 41.722 42.059 0.080 0.000 0.933 260 L HN 0.757 nan 8.230 nan 0.000 0.449 261 G N 0.227 108.982 108.800 -0.075 0.000 2.448 261 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 261 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 261 G C 1.577 176.638 174.900 0.268 0.000 1.127 261 G CA 0.503 45.725 45.100 0.205 0.000 0.766 261 G HN 0.280 nan 8.290 nan 0.000 0.552 262 K N -0.078 120.361 120.400 0.065 0.000 2.143 262 K HA 0.088 4.408 4.320 -0.000 0.000 0.209 262 K C 2.432 179.057 176.600 0.042 0.000 1.042 262 K CA 0.331 56.620 56.287 0.003 0.000 1.000 262 K CB -0.035 32.395 32.500 -0.117 0.000 1.134 262 K HN -0.148 nan 8.250 nan 0.000 0.456 263 K N 0.672 121.078 120.400 0.010 0.000 2.031 263 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 263 K C 2.356 179.061 176.600 0.175 0.000 1.049 263 K CA 1.181 57.465 56.287 -0.005 0.000 0.939 263 K CB -0.798 31.738 32.500 0.061 0.000 0.717 263 K HN 0.383 nan 8.250 nan 0.000 0.438 264 C N 0.464 119.940 119.300 0.294 0.000 2.436 264 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 264 C C 2.573 177.850 174.990 0.479 0.000 1.241 264 C CA 0.439 59.748 59.018 0.484 0.000 1.721 264 C CB -0.967 27.025 27.740 0.419 0.000 2.043 264 C HN 0.437 nan 8.230 nan 0.000 0.472 265 F N 1.550 121.666 119.950 0.277 0.000 2.123 265 F HA 0.168 4.695 4.527 -0.000 0.000 0.289 265 F C 2.424 178.444 175.800 0.366 0.000 1.099 265 F CA 1.188 59.375 58.000 0.313 0.000 1.234 265 F CB -0.319 38.900 39.000 0.365 0.000 1.034 265 F HN 0.084 nan 8.300 nan 0.000 0.479 266 A N 0.249 123.158 122.820 0.148 0.000 2.119 266 A HA 0.051 4.371 4.320 -0.000 0.000 0.217 266 A C 1.918 179.697 177.584 0.326 0.000 1.153 266 A CA 1.116 53.295 52.037 0.237 0.000 0.692 266 A CB -0.564 18.540 19.000 0.175 0.000 0.799 266 A HN 0.536 nan 8.150 nan 0.000 0.458 267 L N -2.391 118.925 121.223 0.155 0.000 2.590 267 L HA 0.129 4.469 4.340 -0.000 0.000 0.181 267 L C 2.694 179.627 176.870 0.106 0.000 1.134 267 L CA 0.154 55.065 54.840 0.119 0.000 0.850 267 L CB -0.415 41.624 42.059 -0.032 0.000 1.172 267 L HN 0.218 nan 8.230 nan 0.000 0.498 268 R N 0.309 120.870 120.500 0.100 0.000 2.061 268 R HA -0.062 4.278 4.340 -0.000 0.000 0.230 268 R C 2.143 178.505 176.300 0.104 0.000 1.140 268 R CA 1.153 57.287 56.100 0.057 0.000 0.940 268 R CB -0.204 29.992 30.300 -0.173 0.000 0.839 268 R HN 0.202 nan 8.270 nan 0.000 0.429 269 I N 1.070 121.740 120.570 0.167 0.000 2.179 269 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 269 I C 2.593 178.727 176.117 0.029 0.000 1.088 269 I CA 1.340 62.747 61.300 0.178 0.000 1.357 269 I CB -1.378 36.857 38.000 0.391 0.000 1.051 269 I HN 0.170 nan 8.210 nan 0.000 0.409 270 A N 1.156 123.917 122.820 -0.098 0.000 1.933 270 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 270 A C 2.539 179.891 177.584 -0.387 0.000 1.175 270 A CA 2.318 54.175 52.037 -0.299 0.000 0.628 270 A CB -0.829 17.949 19.000 -0.370 0.000 0.814 270 A HN 0.577 nan 8.150 nan 0.000 0.444 271 S N -0.476 115.147 115.700 -0.129 0.000 2.382 271 S HA -0.195 4.275 4.470 -0.000 0.000 0.228 271 S C 2.078 176.617 174.600 -0.102 0.000 1.027 271 S CA 1.219 59.417 58.200 -0.004 0.000 0.991 271 S CB -0.449 62.943 63.200 0.320 0.000 0.823 271 S HN 0.549 nan 8.310 nan 0.000 0.469 272 R N 0.946 121.377 120.500 -0.114 0.000 2.073 272 R HA 0.137 4.477 4.340 -0.000 0.000 0.229 272 R C 2.340 178.365 176.300 -0.458 0.000 1.120 272 R CA 1.439 57.308 56.100 -0.385 0.000 0.967 272 R CB -0.569 29.652 30.300 -0.131 0.000 0.862 272 R HN 0.524 nan 8.270 nan 0.000 0.436 273 M N -0.031 119.356 119.600 -0.355 0.000 2.080 273 M HA -0.163 4.317 4.480 -0.000 0.000 0.260 273 M C 2.489 178.410 176.300 -0.631 0.000 1.068 273 M CA 2.047 57.151 55.300 -0.328 0.000 1.109 273 M CB -0.418 32.101 32.600 -0.135 0.000 1.342 273 M HN 0.200 nan 8.290 nan 0.000 0.405 274 A N -0.218 121.862 122.820 -1.233 0.000 1.892 274 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 274 A C 2.127 179.117 177.584 -0.990 0.000 1.188 274 A CA 1.934 52.839 52.037 -1.887 0.000 0.631 274 A CB -0.970 17.006 19.000 -1.706 0.000 0.822 274 A HN 0.561 nan 8.150 nan 0.000 0.447 275 Q N -0.369 118.887 119.800 -0.907 0.000 2.124 275 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 275 Q C 2.045 177.636 176.000 -0.681 0.000 0.977 275 Q CA 2.138 57.265 55.803 -1.127 0.000 0.850 275 Q CB -0.226 27.819 28.738 -1.155 0.000 0.901 275 Q HN 0.835 nan 8.270 nan 0.000 0.429 276 Q N -0.597 118.903 119.800 -0.500 0.000 2.311 276 Q HA -0.087 4.253 4.340 -0.000 0.000 0.203 276 Q C 1.291 177.196 176.000 -0.158 0.000 0.954 276 Q CA 0.929 56.563 55.803 -0.281 0.000 0.885 276 Q CB 0.283 28.888 28.738 -0.222 0.000 0.963 276 Q HN 0.448 nan 8.270 nan 0.000 0.471 277 Q N -1.250 118.464 119.800 -0.144 0.000 2.217 277 Q HA 0.206 4.546 4.340 -0.000 0.000 0.217 277 Q C 0.213 176.319 176.000 0.176 0.000 0.844 277 Q CA 0.271 56.113 55.803 0.066 0.000 0.957 277 Q CB 1.549 30.439 28.738 0.252 0.000 1.127 277 Q HN 0.393 nan 8.270 nan 0.000 0.503 278 G N 1.406 110.253 108.800 0.079 0.000 2.171 278 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.238 278 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.238 278 G C -0.429 174.648 174.900 0.296 0.000 1.039 278 G CA 0.317 45.532 45.100 0.191 0.000 0.759 278 G HN 0.336 nan 8.290 nan 0.000 0.501 279 W N -1.475 119.857 121.300 0.054 0.000 3.274 279 W HA 0.830 5.490 4.660 -0.000 0.000 0.353 279 W C -1.073 175.483 176.519 0.061 0.000 1.147 279 W CA -1.689 55.657 57.345 0.002 0.000 1.054 279 W CB 0.822 30.245 29.460 -0.061 0.000 1.510 279 W HN 0.178 nan 8.180 nan 0.000 0.602 280 L N 1.513 122.864 121.223 0.213 0.000 2.436 280 L HA 0.699 5.039 4.340 -0.000 0.000 0.268 280 L C -0.434 176.574 176.870 0.231 0.000 0.974 280 L CA -0.968 53.921 54.840 0.082 0.000 0.826 280 L CB 1.846 43.910 42.059 0.007 0.000 1.291 280 L HN 0.570 nan 8.230 nan 0.000 0.406 281 A N 2.675 125.570 122.820 0.126 0.000 2.310 281 A HA 0.802 5.122 4.320 -0.000 0.000 0.304 281 A C -0.778 177.060 177.584 0.424 0.000 1.231 281 A CA -0.506 51.721 52.037 0.316 0.000 0.799 281 A CB 0.787 19.793 19.000 0.010 0.000 1.162 281 A HN 0.592 nan 8.150 nan 0.000 0.486 282 E N 0.731 121.218 120.200 0.479 0.000 2.312 282 E HA 0.193 4.543 4.350 -0.000 0.000 0.267 282 E C -0.947 175.873 176.600 0.367 0.000 0.894 282 E CA -0.595 56.086 56.400 0.468 0.000 0.773 282 E CB 1.528 31.559 29.700 0.553 0.000 1.241 282 E HN 0.784 nan 8.360 nan 0.000 0.432 283 H N 2.600 121.792 119.070 0.203 0.000 2.970 283 H HA 0.267 4.823 4.556 -0.000 0.000 0.226 283 H C -0.686 174.700 175.328 0.096 0.000 1.909 283 H CA 0.056 56.156 56.048 0.087 0.000 1.388 283 H CB -0.143 29.671 29.762 0.086 0.000 1.773 283 H HN 0.192 nan 8.280 nan 0.000 0.559 284 M N 4.093 123.748 119.600 0.092 0.000 2.326 284 M HA 0.151 4.631 4.480 -0.000 0.000 0.292 284 M C -0.825 175.463 176.300 -0.021 0.000 1.081 284 M CA -1.302 53.990 55.300 -0.012 0.000 0.919 284 M CB 2.596 35.248 32.600 0.087 0.000 1.634 284 M HN 0.278 nan 8.290 nan 0.000 0.451 285 L N 1.774 122.933 121.223 -0.107 0.000 2.464 285 L HA 0.657 4.997 4.340 -0.000 0.000 0.264 285 L C -0.971 175.907 176.870 0.014 0.000 1.199 285 L CA 0.262 55.080 54.840 -0.036 0.000 0.818 285 L CB 0.151 42.163 42.059 -0.077 0.000 1.102 285 L HN 0.571 nan 8.230 nan 0.000 0.473 286 I N 2.940 123.559 120.570 0.082 0.000 2.498 286 I HA 0.567 4.737 4.170 -0.000 0.000 0.290 286 I C -0.887 175.340 176.117 0.183 0.000 1.032 286 I CA -0.713 60.666 61.300 0.132 0.000 1.073 286 I CB 1.821 39.907 38.000 0.143 0.000 1.251 286 I HN 0.700 nan 8.210 nan 0.000 0.426 287 L N 3.393 124.747 121.223 0.218 0.000 2.409 287 L HA 1.031 5.371 4.340 -0.000 0.000 0.255 287 L C -0.360 176.676 176.870 0.276 0.000 1.027 287 L CA -0.610 54.372 54.840 0.236 0.000 0.834 287 L CB 1.434 43.580 42.059 0.145 0.000 1.426 287 L HN 0.509 nan 8.230 nan 0.000 0.411 288 G N 0.444 109.351 108.800 0.179 0.000 2.372 288 G HA2 0.643 4.603 3.960 -0.000 0.000 0.323 288 G HA3 0.643 4.603 3.960 -0.000 0.000 0.323 288 G C -1.273 173.635 174.900 0.014 0.000 1.152 288 G CA -0.710 44.283 45.100 -0.179 0.000 0.906 288 G HN 0.576 nan 8.290 nan 0.000 0.460 289 V N 1.910 121.849 119.914 0.042 0.000 2.417 289 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 289 V C 0.079 176.300 176.094 0.211 0.000 1.024 289 V CA -0.596 61.826 62.300 0.203 0.000 0.861 289 V CB 1.622 33.662 31.823 0.362 0.000 0.985 289 V HN 0.755 nan 8.190 nan 0.000 0.436 290 T N 3.449 118.068 114.554 0.108 0.000 2.758 290 T HA 0.333 4.683 4.350 -0.000 0.000 0.285 290 T C 0.257 174.731 174.700 -0.377 0.000 0.981 290 T CA -0.169 61.907 62.100 -0.039 0.000 0.965 290 T CB 1.363 70.235 68.868 0.007 0.000 0.927 290 T HN 0.762 nan 8.240 nan 0.000 0.448 291 S N 3.728 118.949 115.700 -0.798 0.000 2.600 291 S HA 0.212 4.682 4.470 -0.000 0.000 0.265 291 S C -1.332 172.685 174.600 -0.972 0.000 1.325 291 S CA -1.335 55.925 58.200 -1.567 0.000 1.002 291 S CB 0.451 62.804 63.200 -1.413 0.000 0.921 291 S HN 0.332 nan 8.310 nan 0.000 0.554 292 P HA -0.109 nan 4.420 nan 0.000 0.218 292 P C 1.488 178.586 177.300 -0.336 0.000 1.146 292 P CA 1.584 64.350 63.100 -0.558 0.000 0.813 292 P CB -0.255 31.160 31.700 -0.477 0.000 0.778 293 S N -2.089 113.417 115.700 -0.323 0.000 2.474 293 S HA 0.095 4.565 4.470 -0.000 0.000 0.235 293 S C 1.805 176.334 174.600 -0.119 0.000 0.997 293 S CA 0.927 59.029 58.200 -0.164 0.000 0.949 293 S CB -1.282 61.856 63.200 -0.103 0.000 0.766 293 S HN 0.312 nan 8.310 nan 0.000 0.517 294 G N 0.646 109.353 108.800 -0.156 0.000 2.175 294 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 294 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 294 G C -0.166 174.715 174.900 -0.031 0.000 0.982 294 G CA 0.147 45.194 45.100 -0.088 0.000 0.641 294 G HN 0.682 nan 8.290 nan 0.000 0.527 295 E N 0.796 121.001 120.200 0.008 0.000 2.344 295 E HA 0.461 4.811 4.350 -0.000 0.000 0.270 295 E C 0.172 176.907 176.600 0.225 0.000 1.021 295 E CA -0.218 56.267 56.400 0.141 0.000 0.887 295 E CB 0.362 30.217 29.700 0.259 0.000 0.997 295 E HN 0.291 nan 8.360 nan 0.000 0.429 296 K N 3.994 124.487 120.400 0.156 0.000 2.292 296 K HA 0.346 4.666 4.320 -0.000 0.000 0.257 296 K C -0.949 175.687 176.600 0.060 0.000 0.940 296 K CA -0.794 55.559 56.287 0.111 0.000 0.811 296 K CB 0.838 33.318 32.500 -0.035 0.000 1.120 296 K HN 0.408 nan 8.250 nan 0.000 0.428 297 R N 2.805 123.347 120.500 0.069 0.000 2.750 297 R HA 0.336 4.676 4.340 -0.000 0.000 0.281 297 R C -1.156 175.074 176.300 -0.117 0.000 0.972 297 R CA -0.774 55.305 56.100 -0.035 0.000 0.912 297 R CB 1.122 31.313 30.300 -0.181 0.000 1.187 297 R HN 0.539 nan 8.270 nan 0.000 0.464 298 Y N 1.167 121.524 120.300 0.096 0.000 2.387 298 Y HA 0.545 5.095 4.550 -0.000 0.000 0.336 298 Y C 0.624 176.576 175.900 0.087 0.000 1.067 298 Y CA -0.579 57.584 58.100 0.105 0.000 1.114 298 Y CB 1.822 40.336 38.460 0.091 0.000 1.208 298 Y HN 0.226 nan 8.280 nan 0.000 0.458 299 M N 2.233 121.975 119.600 0.236 0.000 2.518 299 M HA 0.774 5.253 4.480 -0.000 0.000 0.300 299 M C -1.008 175.362 176.300 0.117 0.000 1.175 299 M CA -0.972 54.415 55.300 0.144 0.000 0.890 299 M CB 2.492 35.144 32.600 0.087 0.000 1.710 299 M HN 0.688 nan 8.290 nan 0.000 0.453 300 A N 1.636 124.497 122.820 0.069 0.000 2.355 300 A HA 0.989 5.309 4.320 -0.000 0.000 0.324 300 A C -1.135 176.382 177.584 -0.110 0.000 1.117 300 A CA -0.644 51.403 52.037 0.016 0.000 0.785 300 A CB 1.339 20.384 19.000 0.075 0.000 1.254 300 A HN 0.923 nan 8.150 nan 0.000 0.453 301 A N 0.818 123.500 122.820 -0.231 0.000 2.402 301 A HA 0.719 5.039 4.320 -0.000 0.000 0.291 301 A C -0.246 176.983 177.584 -0.592 0.000 1.051 301 A CA 0.164 51.900 52.037 -0.502 0.000 0.716 301 A CB 0.996 19.543 19.000 -0.755 0.000 1.223 301 A HN 2.204 nan 8.150 nan 0.000 0.425 302 A N 2.952 125.525 122.820 -0.412 0.000 2.366 302 A HA 0.720 5.040 4.320 -0.000 0.000 0.322 302 A C -0.676 176.906 177.584 -0.003 0.000 1.397 302 A CA -0.164 51.779 52.037 -0.157 0.000 0.984 302 A CB -0.504 18.587 19.000 0.152 0.000 1.149 302 A HN 0.671 nan 8.150 nan 0.000 0.540 303 F N 2.775 122.665 119.950 -0.100 0.000 2.522 303 F HA 0.457 4.984 4.527 -0.000 0.000 0.324 303 F C -2.119 173.638 175.800 -0.072 0.000 1.077 303 F CA -2.760 55.192 58.000 -0.080 0.000 0.944 303 F CB 2.269 41.236 39.000 -0.055 0.000 1.175 303 F HN 0.335 nan 8.300 nan 0.000 0.468 304 P HA 0.035 nan 4.420 nan 0.000 0.271 304 P C -0.778 176.675 177.300 0.256 0.000 1.244 304 P CA -0.306 62.943 63.100 0.249 0.000 0.793 304 P CB 0.468 32.254 31.700 0.144 0.000 0.984 305 S N 0.743 116.675 115.700 0.387 0.000 2.558 305 S HA 0.259 4.729 4.470 -0.000 0.000 0.293 305 S C 0.872 175.566 174.600 0.157 0.000 1.292 305 S CA 0.780 59.173 58.200 0.322 0.000 1.063 305 S CB -0.805 62.605 63.200 0.349 0.000 0.831 305 S HN 0.717 nan 8.310 nan 0.000 0.499 306 A N 1.367 124.256 122.820 0.115 0.000 2.832 306 A HA -0.196 4.124 4.320 -0.000 0.000 0.280 306 A C 0.866 178.453 177.584 0.005 0.000 1.464 306 A CA 0.720 52.782 52.037 0.042 0.000 0.804 306 A CB -2.434 16.568 19.000 0.004 0.000 1.020 306 A HN 0.904 nan 8.150 nan 0.000 0.563 307 C N -1.446 117.889 119.300 0.058 0.000 3.115 307 C HA 0.612 5.072 4.460 -0.000 0.000 0.277 307 C C 1.866 176.992 174.990 0.228 0.000 1.460 307 C CA 0.181 59.203 59.018 0.006 0.000 1.789 307 C CB -0.550 27.141 27.740 -0.081 0.000 2.674 307 C HN 2.271 nan 8.230 nan 0.000 0.582 308 G N 1.074 110.056 108.800 0.302 0.000 2.198 308 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.156 308 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.156 308 G C 0.962 176.149 174.900 0.478 0.000 1.012 308 G CA 0.011 45.341 45.100 0.382 0.000 0.692 308 G HN 0.390 nan 8.290 nan 0.000 0.492 309 K N 0.111 120.769 120.400 0.429 0.000 2.009 309 K HA -0.097 4.223 4.320 -0.000 0.000 0.210 309 K C 2.522 179.201 176.600 0.132 0.000 1.049 309 K CA 1.980 58.402 56.287 0.224 0.000 0.929 309 K CB -0.410 32.115 32.500 0.042 0.000 0.714 309 K HN 0.352 nan 8.250 nan 0.000 0.440 310 T N 1.431 116.042 114.554 0.095 0.000 2.708 310 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 310 T C 1.580 176.294 174.700 0.023 0.000 1.037 310 T CA 1.725 63.838 62.100 0.023 0.000 1.146 310 T CB -0.352 68.519 68.868 0.005 0.000 0.865 310 T HN 0.264 nan 8.240 nan 0.000 0.435 311 N N 0.792 119.546 118.700 0.090 0.000 2.289 311 N HA 0.004 4.744 4.740 -0.000 0.000 0.184 311 N C 1.529 177.079 175.510 0.065 0.000 1.016 311 N CA 0.430 53.540 53.050 0.100 0.000 0.872 311 N CB -0.264 38.337 38.487 0.190 0.000 0.973 311 N HN 0.177 nan 8.380 nan 0.000 0.433 312 L N 0.296 121.586 121.223 0.111 0.000 2.068 312 L HA 0.170 4.510 4.340 -0.000 0.000 0.204 312 L C 1.997 178.904 176.870 0.061 0.000 1.076 312 L CA 1.096 56.002 54.840 0.111 0.000 0.753 312 L CB -0.745 41.490 42.059 0.293 0.000 0.910 312 L HN 0.112 nan 8.230 nan 0.000 0.439 313 A N 0.162 123.012 122.820 0.050 0.000 1.972 313 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 313 A C 1.893 179.468 177.584 -0.015 0.000 1.169 313 A CA 1.991 54.046 52.037 0.029 0.000 0.635 313 A CB -0.701 18.318 19.000 0.032 0.000 0.810 313 A HN 0.628 nan 8.150 nan 0.000 0.446 314 M N -1.857 117.701 119.600 -0.069 0.000 2.778 314 M HA 0.473 4.953 4.480 -0.000 0.000 0.359 314 M C 0.242 176.494 176.300 -0.081 0.000 1.216 314 M CA -0.355 54.882 55.300 -0.106 0.000 0.935 314 M CB -0.059 32.411 32.600 -0.216 0.000 1.330 314 M HN 0.274 nan 8.290 nan 0.000 0.516 315 M N 2.117 121.687 119.600 -0.049 0.000 2.250 315 M HA 0.141 4.621 4.480 -0.000 0.000 0.337 315 M C -0.918 175.339 176.300 -0.073 0.000 1.161 315 M CA 1.263 56.531 55.300 -0.052 0.000 1.088 315 M CB 0.841 33.410 32.600 -0.050 0.000 1.639 315 M HN 0.305 nan 8.290 nan 0.000 0.447 316 T N 6.788 121.292 114.554 -0.084 0.000 2.753 316 T HA 0.449 4.799 4.350 -0.000 0.000 0.297 316 T C -2.453 172.184 174.700 -0.104 0.000 0.981 316 T CA -1.054 60.991 62.100 -0.092 0.000 0.956 316 T CB 0.624 69.434 68.868 -0.096 0.000 0.936 316 T HN 0.521 nan 8.240 nan 0.000 0.463 317 P HA 0.178 nan 4.420 nan 0.000 0.268 317 P C 0.245 177.475 177.300 -0.117 0.000 1.204 317 P CA -0.096 62.952 63.100 -0.086 0.000 0.768 317 P CB 0.542 32.239 31.700 -0.005 0.000 0.842 318 S N 1.549 117.132 115.700 -0.195 0.000 2.593 318 S HA 0.124 4.594 4.470 -0.000 0.000 0.217 318 S C 0.666 175.213 174.600 -0.089 0.000 0.966 318 S CA 0.027 58.085 58.200 -0.237 0.000 0.914 318 S CB -0.346 62.479 63.200 -0.624 0.000 0.776 318 S HN 0.372 nan 8.310 nan 0.000 0.523 319 L N 3.224 124.430 121.223 -0.028 0.000 2.257 319 L HA 0.366 4.706 4.340 -0.000 0.000 0.290 319 L C -2.551 174.404 176.870 0.142 0.000 1.044 319 L CA -2.388 52.493 54.840 0.069 0.000 0.810 319 L CB 1.129 43.213 42.059 0.042 0.000 1.193 319 L HN -0.092 nan 8.230 nan 0.000 0.425 320 P HA 0.076 nan 4.420 nan 0.000 0.266 320 P C 0.773 178.137 177.300 0.107 0.000 1.195 320 P CA 0.612 63.760 63.100 0.080 0.000 0.768 320 P CB 0.860 32.592 31.700 0.053 0.000 0.838 321 G N 0.393 109.210 108.800 0.028 0.000 2.498 321 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.229 321 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.229 321 G C -0.292 174.527 174.900 -0.136 0.000 1.156 321 G CA -0.396 44.660 45.100 -0.073 0.000 0.680 321 G HN 0.418 nan 8.290 nan 0.000 0.512 322 W N 2.602 123.845 121.300 -0.095 0.000 2.170 322 W HA 0.726 5.386 4.660 -0.000 0.000 0.336 322 W C 0.911 177.367 176.519 -0.105 0.000 1.283 322 W CA -0.124 57.146 57.345 -0.125 0.000 1.224 322 W CB 0.499 29.881 29.460 -0.131 0.000 1.132 322 W HN 0.115 nan 8.180 nan 0.000 0.571 323 R N 3.085 123.648 120.500 0.106 0.000 2.744 323 R HA 0.548 4.888 4.340 -0.000 0.000 0.279 323 R C -0.984 175.339 176.300 0.039 0.000 0.977 323 R CA -1.116 54.998 56.100 0.022 0.000 0.906 323 R CB 1.935 32.223 30.300 -0.019 0.000 1.197 323 R HN 0.329 nan 8.270 nan 0.000 0.463 324 I N 2.197 122.732 120.570 -0.058 0.000 2.530 324 I HA 0.376 4.546 4.170 -0.000 0.000 0.297 324 I C -0.380 175.633 176.117 -0.173 0.000 1.011 324 I CA -0.683 60.600 61.300 -0.028 0.000 1.107 324 I CB 1.778 39.767 38.000 -0.019 0.000 1.285 324 I HN 0.522 nan 8.210 nan 0.000 0.436 325 H N 2.584 121.682 119.070 0.047 0.000 2.600 325 H HA 0.333 4.889 4.556 -0.000 0.000 0.357 325 H C -0.687 174.705 175.328 0.107 0.000 1.106 325 H CA -0.259 55.833 56.048 0.073 0.000 1.193 325 H CB 2.082 31.904 29.762 0.100 0.000 1.594 325 H HN 0.640 nan 8.280 nan 0.000 0.526 326 C N 4.270 123.692 119.300 0.203 0.000 2.347 326 C HA 0.345 4.805 4.460 -0.000 0.000 0.353 326 C C 1.274 176.410 174.990 0.243 0.000 1.273 326 C CA -0.167 58.954 59.018 0.171 0.000 1.861 326 C CB -1.044 26.748 27.740 0.086 0.000 2.420 326 C HN 0.772 nan 8.230 nan 0.000 0.542 327 V N 5.192 125.269 119.914 0.270 0.000 2.806 327 V HA 0.442 4.562 4.120 -0.000 0.000 0.239 327 V C 1.315 177.582 176.094 0.288 0.000 1.113 327 V CA 1.177 63.668 62.300 0.318 0.000 1.137 327 V CB -0.172 31.823 31.823 0.288 0.000 0.865 327 V HN 1.067 nan 8.190 nan 0.000 0.482 328 G N 0.106 109.049 108.800 0.238 0.000 2.646 328 G HA2 0.472 4.432 3.960 -0.000 0.000 0.291 328 G HA3 0.472 4.432 3.960 -0.000 0.000 0.291 328 G C -1.053 173.974 174.900 0.211 0.000 1.445 328 G CA 0.430 45.668 45.100 0.230 0.000 0.814 328 G HN 0.129 nan 8.290 nan 0.000 0.495 329 D N -1.291 119.256 120.400 0.245 0.000 2.469 329 D HA 0.201 4.840 4.640 -0.000 0.000 0.215 329 D C 0.361 176.722 176.300 0.102 0.000 1.154 329 D CA 0.202 54.300 54.000 0.164 0.000 0.832 329 D CB 1.337 42.253 40.800 0.192 0.000 1.008 329 D HN 0.331 nan 8.370 nan 0.000 0.506 330 D N -0.446 120.013 120.400 0.097 0.000 2.315 330 D HA 0.279 4.919 4.640 -0.000 0.000 0.272 330 D C -0.371 175.994 176.300 0.108 0.000 1.238 330 D CA 0.229 54.286 54.000 0.095 0.000 1.160 330 D CB 1.005 41.879 40.800 0.124 0.000 1.780 330 D HN 0.078 nan 8.370 nan 0.000 0.484 331 I N 1.296 121.904 120.570 0.064 0.000 2.498 331 I HA 0.695 4.865 4.170 -0.000 0.000 0.290 331 I C -0.973 175.165 176.117 0.035 0.000 1.032 331 I CA -1.102 60.232 61.300 0.057 0.000 1.073 331 I CB 2.232 40.216 38.000 -0.027 0.000 1.251 331 I HN 0.056 nan 8.210 nan 0.000 0.426 332 A N 5.888 128.798 122.820 0.150 0.000 2.356 332 A HA 0.727 5.047 4.320 -0.000 0.000 0.310 332 A C -1.829 176.015 177.584 0.433 0.000 1.075 332 A CA -0.381 51.772 52.037 0.192 0.000 0.746 332 A CB 0.874 19.994 19.000 0.199 0.000 1.221 332 A HN 0.611 nan 8.150 nan 0.000 0.443 333 W N 2.262 123.659 121.300 0.161 0.000 2.429 333 W HA 0.693 5.353 4.660 -0.000 0.000 0.314 333 W C -0.279 176.331 176.519 0.152 0.000 1.062 333 W CA -1.098 56.388 57.345 0.234 0.000 1.211 333 W CB 1.054 30.607 29.460 0.155 0.000 1.305 333 W HN 0.514 nan 8.180 nan 0.000 0.476 334 M N 3.368 123.217 119.600 0.415 0.000 2.393 334 M HA 0.469 4.949 4.480 -0.000 0.000 0.299 334 M C -0.494 175.873 176.300 0.111 0.000 1.103 334 M CA -0.826 54.578 55.300 0.174 0.000 0.910 334 M CB 3.291 35.950 32.600 0.098 0.000 1.659 334 M HN 0.276 nan 8.290 nan 0.000 0.445 335 K N 1.804 122.181 120.400 -0.038 0.000 2.523 335 K HA 0.573 4.893 4.320 -0.000 0.000 0.257 335 K C -1.781 174.723 176.600 -0.160 0.000 0.932 335 K CA -0.588 55.674 56.287 -0.042 0.000 0.812 335 K CB 2.037 34.534 32.500 -0.004 0.000 1.326 335 K HN 0.472 nan 8.250 nan 0.000 0.433 336 F N 3.144 123.105 119.950 0.017 0.000 2.495 336 F HA 0.060 4.587 4.527 -0.000 0.000 0.365 336 F C 1.079 176.871 175.800 -0.012 0.000 1.090 336 F CA 0.199 58.193 58.000 -0.010 0.000 1.235 336 F CB 0.468 39.444 39.000 -0.038 0.000 1.119 336 F HN 0.587 nan 8.300 nan 0.000 0.562 337 D N 0.705 121.212 120.400 0.178 0.000 2.478 337 D HA 0.087 4.727 4.640 -0.000 0.000 0.274 337 D C -0.028 176.324 176.300 0.087 0.000 1.234 337 D CA -0.454 53.600 54.000 0.091 0.000 1.069 337 D CB 0.443 41.272 40.800 0.048 0.000 1.113 337 D HN 0.331 nan 8.370 nan 0.000 0.571 338 D N -1.220 119.205 120.400 0.042 0.000 2.370 338 D HA 0.053 4.693 4.640 -0.000 0.000 0.230 338 D C 0.462 176.769 176.300 0.011 0.000 1.143 338 D CA 0.164 54.176 54.000 0.020 0.000 0.834 338 D CB 0.189 40.992 40.800 0.006 0.000 0.944 338 D HN 0.455 nan 8.370 nan 0.000 0.504 339 E N -0.782 119.434 120.200 0.027 0.000 2.400 339 E HA 0.191 4.541 4.350 -0.000 0.000 0.195 339 E C 1.375 177.986 176.600 0.018 0.000 1.012 339 E CA 0.351 56.763 56.400 0.020 0.000 0.875 339 E CB 0.772 30.489 29.700 0.029 0.000 0.859 339 E HN 0.225 nan 8.360 nan 0.000 0.498 340 G N 1.510 110.332 108.800 0.036 0.000 2.211 340 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.201 340 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.201 340 G C 0.206 175.196 174.900 0.151 0.000 0.997 340 G CA -0.494 44.607 45.100 0.001 0.000 0.652 340 G HN 0.021 nan 8.290 nan 0.000 0.500 341 R N -0.185 120.440 120.500 0.208 0.000 2.457 341 R HA 0.576 4.916 4.340 -0.000 0.000 0.284 341 R C -0.378 176.084 176.300 0.271 0.000 1.024 341 R CA -0.820 55.428 56.100 0.246 0.000 1.025 341 R CB 1.663 32.039 30.300 0.128 0.000 1.063 341 R HN 0.193 nan 8.270 nan 0.000 0.493 342 L N 3.593 124.881 121.223 0.108 0.000 2.313 342 L HA 0.193 4.533 4.340 -0.000 0.000 0.282 342 L C -0.217 176.579 176.870 -0.122 0.000 1.092 342 L CA 0.429 55.090 54.840 -0.300 0.000 0.831 342 L CB 0.353 42.160 42.059 -0.421 0.000 1.159 342 L HN 0.342 nan 8.230 nan 0.000 0.442 343 R N 4.633 125.057 120.500 -0.126 0.000 2.393 343 R HA 0.765 5.105 4.340 -0.000 0.000 0.310 343 R C -0.907 175.363 176.300 -0.051 0.000 0.968 343 R CA -0.625 55.433 56.100 -0.070 0.000 0.867 343 R CB 1.697 31.966 30.300 -0.053 0.000 1.124 343 R HN 0.755 nan 8.270 nan 0.000 0.450 344 A N 4.211 127.008 122.820 -0.038 0.000 2.355 344 A HA 0.699 5.019 4.320 -0.000 0.000 0.317 344 A C -0.148 177.435 177.584 -0.002 0.000 1.094 344 A CA -0.845 51.202 52.037 0.017 0.000 0.764 344 A CB 0.929 19.957 19.000 0.047 0.000 1.230 344 A HN 0.792 nan 8.150 nan 0.000 0.448 345 I N -0.556 120.040 120.570 0.043 0.000 2.846 345 I HA 0.642 4.812 4.170 -0.000 0.000 0.307 345 I C -0.509 175.604 176.117 -0.007 0.000 1.053 345 I CA -1.001 60.301 61.300 0.004 0.000 1.050 345 I CB 2.191 40.180 38.000 -0.018 0.000 1.239 345 I HN 0.494 nan 8.210 nan 0.000 0.439 346 N N 5.355 124.042 118.700 -0.022 0.000 2.439 346 N HA 0.414 5.154 4.740 -0.000 0.000 0.249 346 N C -1.810 173.590 175.510 -0.183 0.000 1.003 346 N CA -2.550 50.470 53.050 -0.050 0.000 0.942 346 N CB 1.136 39.688 38.487 0.107 0.000 1.115 346 N HN 0.468 nan 8.380 nan 0.000 0.505 347 P HA 0.022 nan 4.420 nan 0.000 0.241 347 P C -0.525 176.610 177.300 -0.276 0.000 1.191 347 P CA 0.723 63.470 63.100 -0.587 0.000 0.771 347 P CB 0.527 31.352 31.700 -1.457 0.000 0.929 348 E N -0.197 119.909 120.200 -0.157 0.000 2.254 348 E HA 0.340 4.690 4.350 -0.000 0.000 0.261 348 E C 0.533 177.148 176.600 0.026 0.000 1.051 348 E CA -0.731 55.626 56.400 -0.073 0.000 0.902 348 E CB 1.573 31.218 29.700 -0.091 0.000 1.168 348 E HN -0.128 nan 8.360 nan 0.000 0.423 349 R N -0.074 120.420 120.500 -0.009 0.000 2.476 349 R HA 0.216 4.556 4.340 -0.000 0.000 0.276 349 R C -0.092 176.105 176.300 -0.171 0.000 0.941 349 R CA 0.064 56.198 56.100 0.056 0.000 1.088 349 R CB 0.834 31.172 30.300 0.064 0.000 1.216 349 R HN 0.550 nan 8.270 nan 0.000 0.533 350 G N -0.591 108.024 108.800 -0.309 0.000 2.687 350 G HA2 0.452 4.412 3.960 -0.000 0.000 0.291 350 G HA3 0.452 4.412 3.960 -0.000 0.000 0.291 350 G C -1.602 172.970 174.900 -0.546 0.000 1.420 350 G CA -0.632 44.189 45.100 -0.465 0.000 0.796 350 G HN -0.002 nan 8.290 nan 0.000 0.485 351 F N -0.097 119.881 119.950 0.048 0.000 2.458 351 F HA 0.568 5.095 4.527 -0.000 0.000 0.336 351 F C -0.536 175.325 175.800 0.101 0.000 1.114 351 F CA -1.143 56.910 58.000 0.088 0.000 0.987 351 F CB 2.154 41.258 39.000 0.174 0.000 1.130 351 F HN 0.280 nan 8.300 nan 0.000 0.458 352 F N 3.004 122.957 119.950 0.005 0.000 2.334 352 F HA 0.676 5.203 4.527 -0.000 0.000 0.343 352 F C 0.220 175.806 175.800 -0.358 0.000 1.136 352 F CA -0.972 56.922 58.000 -0.176 0.000 1.237 352 F CB 0.058 38.971 39.000 -0.144 0.000 1.525 352 F HN 0.466 nan 8.300 nan 0.000 0.528 353 G N 2.582 110.736 108.800 -1.077 0.000 2.367 353 G HA2 0.468 4.428 3.960 -0.000 0.000 0.314 353 G HA3 0.468 4.428 3.960 -0.000 0.000 0.314 353 G C -0.899 173.231 174.900 -1.284 0.000 1.130 353 G CA -0.688 43.642 45.100 -1.284 0.000 0.864 353 G HN 0.255 nan 8.290 nan 0.000 0.486 354 V N 1.779 121.287 119.914 -0.676 0.000 2.557 354 V HA 0.174 4.294 4.120 -0.000 0.000 0.301 354 V C 1.471 177.286 176.094 -0.465 0.000 1.026 354 V CA 0.903 62.920 62.300 -0.472 0.000 1.137 354 V CB 0.671 32.346 31.823 -0.247 0.000 0.917 354 V HN 0.985 nan 8.190 nan 0.000 0.484 355 A N 7.687 130.195 122.820 -0.520 0.000 1.861 355 A HA 0.225 4.545 4.320 -0.000 0.000 0.212 355 A C -1.373 175.569 177.584 -1.071 0.000 1.199 355 A CA 0.375 51.919 52.037 -0.822 0.000 0.613 355 A CB -0.980 17.426 19.000 -0.991 0.000 0.846 355 A HN 0.720 nan 8.150 nan 0.000 0.446 356 P HA 0.246 nan 4.420 nan 0.000 0.264 356 P C 0.834 178.020 177.300 -0.189 0.000 1.183 356 P CA 2.044 64.918 63.100 -0.376 0.000 0.763 356 P CB 0.502 32.095 31.700 -0.180 0.000 0.807 357 G N 1.700 110.502 108.800 0.004 0.000 2.258 357 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.233 357 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.233 357 G C 0.284 175.216 174.900 0.053 0.000 1.006 357 G CA -0.036 45.097 45.100 0.055 0.000 0.620 357 G HN 0.587 nan 8.290 nan 0.000 0.511 358 T N 2.132 116.731 114.554 0.076 0.000 2.834 358 T HA 0.551 4.901 4.350 -0.000 0.000 0.298 358 T C 0.452 175.333 174.700 0.302 0.000 0.966 358 T CA 1.021 63.213 62.100 0.154 0.000 1.141 358 T CB 1.238 70.176 68.868 0.117 0.000 0.905 358 T HN 1.570 nan 8.240 nan 0.000 0.535 359 S N 0.821 116.566 115.700 0.074 0.000 2.672 359 S HA 0.428 4.898 4.470 -0.000 0.000 0.271 359 S C 1.197 175.768 174.600 -0.048 0.000 1.171 359 S CA -0.239 57.973 58.200 0.020 0.000 0.817 359 S CB 1.017 64.198 63.200 -0.031 0.000 1.150 359 S HN 0.575 nan 8.310 nan 0.000 0.478 360 S N -0.132 115.536 115.700 -0.053 0.000 2.507 360 S HA -0.033 4.437 4.470 -0.000 0.000 0.235 360 S C 1.748 176.288 174.600 -0.101 0.000 0.988 360 S CA 0.846 59.006 58.200 -0.068 0.000 0.944 360 S CB -0.340 62.829 63.200 -0.052 0.000 0.762 360 S HN 0.635 nan 8.310 nan 0.000 0.526 361 R N 1.207 121.629 120.500 -0.131 0.000 2.080 361 R HA 0.056 4.396 4.340 -0.000 0.000 0.222 361 R C 2.777 178.909 176.300 -0.279 0.000 1.107 361 R CA 1.763 57.756 56.100 -0.179 0.000 0.980 361 R CB -1.474 28.720 30.300 -0.177 0.000 0.879 361 R HN 0.930 nan 8.270 nan 0.000 0.439 362 T N -2.929 111.397 114.554 -0.379 0.000 3.010 362 T HA 0.172 4.522 4.350 -0.000 0.000 0.252 362 T C 0.844 175.400 174.700 -0.239 0.000 1.047 362 T CA 0.658 62.377 62.100 -0.635 0.000 1.140 362 T CB 0.025 68.304 68.868 -0.982 0.000 0.885 362 T HN 0.243 nan 8.240 nan 0.000 0.464 363 N N 1.556 120.168 118.700 -0.147 0.000 2.732 363 N HA 0.293 5.033 4.740 -0.000 0.000 0.235 363 N C -2.532 172.926 175.510 -0.086 0.000 1.466 363 N CA -1.736 51.267 53.050 -0.078 0.000 0.751 363 N CB 1.683 40.150 38.487 -0.033 0.000 1.317 363 N HN 0.027 nan 8.380 nan 0.000 0.525 364 P HA -0.081 nan 4.420 nan 0.000 0.218 364 P C 0.850 178.095 177.300 -0.092 0.000 1.148 364 P CA 0.978 64.029 63.100 -0.083 0.000 0.822 364 P CB 0.594 32.246 31.700 -0.079 0.000 0.784 365 N N 0.370 119.008 118.700 -0.103 0.000 2.166 365 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 365 N C 1.894 177.307 175.510 -0.161 0.000 1.019 365 N CA 1.564 54.542 53.050 -0.121 0.000 0.856 365 N CB -0.848 37.563 38.487 -0.126 0.000 0.993 365 N HN 0.121 nan 8.380 nan 0.000 0.426 366 A N 1.362 124.071 122.820 -0.185 0.000 1.930 366 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 366 A C 2.227 179.642 177.584 -0.281 0.000 1.175 366 A CA 1.011 52.876 52.037 -0.286 0.000 0.627 366 A CB -0.291 18.552 19.000 -0.261 0.000 0.815 366 A HN 0.089 nan 8.150 nan 0.000 0.443 367 M N -0.178 119.327 119.600 -0.158 0.000 2.080 367 M HA -0.189 4.291 4.480 -0.000 0.000 0.260 367 M C 2.491 178.725 176.300 -0.109 0.000 1.068 367 M CA 1.825 57.063 55.300 -0.102 0.000 1.109 367 M CB -1.514 31.053 32.600 -0.055 0.000 1.342 367 M HN 0.489 nan 8.290 nan 0.000 0.405 368 A N -0.391 122.368 122.820 -0.100 0.000 1.969 368 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 368 A C 2.293 179.825 177.584 -0.085 0.000 1.169 368 A CA 2.037 54.028 52.037 -0.076 0.000 0.635 368 A CB -0.979 17.984 19.000 -0.061 0.000 0.810 368 A HN 0.513 nan 8.150 nan 0.000 0.445 369 T N 0.666 115.143 114.554 -0.127 0.000 2.857 369 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 369 T C 1.629 176.249 174.700 -0.134 0.000 1.048 369 T CA 1.426 63.459 62.100 -0.111 0.000 1.139 369 T CB -0.411 68.378 68.868 -0.131 0.000 0.874 369 T HN 0.725 nan 8.240 nan 0.000 0.455 370 I N -0.849 119.589 120.570 -0.220 0.000 3.793 370 I HA 0.490 4.660 4.170 -0.000 0.000 0.315 370 I C 2.149 178.205 176.117 -0.101 0.000 1.275 370 I CA -0.101 61.065 61.300 -0.223 0.000 1.214 370 I CB -0.337 37.440 38.000 -0.371 0.000 1.018 370 I HN 0.022 nan 8.210 nan 0.000 0.439 371 A N 2.533 125.293 122.820 -0.100 0.000 2.168 371 A HA 0.031 4.351 4.320 -0.000 0.000 0.215 371 A C 1.205 178.795 177.584 0.011 0.000 1.152 371 A CA 0.568 52.550 52.037 -0.092 0.000 0.716 371 A CB -0.203 18.778 19.000 -0.033 0.000 0.794 371 A HN 0.747 nan 8.150 nan 0.000 0.465 372 R N -2.870 117.646 120.500 0.027 0.000 2.707 372 R HA 0.391 4.731 4.340 -0.000 0.000 0.272 372 R C -0.998 175.349 176.300 0.079 0.000 1.011 372 R CA -0.626 55.522 56.100 0.079 0.000 0.893 372 R CB 0.403 30.746 30.300 0.072 0.000 1.233 372 R HN -0.007 nan 8.270 nan 0.000 0.464 373 N N -0.154 118.624 118.700 0.129 0.000 2.721 373 N HA -0.141 4.598 4.740 -0.000 0.000 0.249 373 N C -1.216 174.359 175.510 0.107 0.000 1.072 373 N CA 1.747 54.881 53.050 0.140 0.000 0.710 373 N CB -1.015 37.529 38.487 0.095 0.000 0.993 373 N HN 0.742 nan 8.380 nan 0.000 0.547 374 T N 0.727 115.349 114.554 0.113 0.000 2.824 374 T HA 0.622 4.972 4.350 -0.000 0.000 0.282 374 T C 0.739 175.465 174.700 0.044 0.000 0.993 374 T CA -0.493 61.588 62.100 -0.031 0.000 0.967 374 T CB 1.841 70.548 68.868 -0.268 0.000 0.960 374 T HN 0.058 nan 8.240 nan 0.000 0.441 375 I N 3.439 124.013 120.570 0.008 0.000 2.315 375 I HA 0.385 4.555 4.170 -0.000 0.000 0.291 375 I C -0.675 175.461 176.117 0.031 0.000 1.006 375 I CA -0.561 60.830 61.300 0.151 0.000 1.265 375 I CB 0.593 38.673 38.000 0.133 0.000 1.387 375 I HN 0.499 nan 8.210 nan 0.000 0.475 376 F N 3.664 123.805 119.950 0.317 0.000 2.404 376 F HA 0.440 4.967 4.527 -0.000 0.000 0.339 376 F C 0.570 176.546 175.800 0.293 0.000 1.105 376 F CA -0.411 57.763 58.000 0.289 0.000 1.087 376 F CB 1.640 40.825 39.000 0.309 0.000 1.143 376 F HN 0.262 nan 8.300 nan 0.000 0.491 377 T N 3.164 117.949 114.554 0.387 0.000 2.809 377 T HA 0.254 4.604 4.350 -0.000 0.000 0.284 377 T C -0.262 174.540 174.700 0.169 0.000 0.992 377 T CA -0.773 61.495 62.100 0.278 0.000 0.957 377 T CB 0.800 69.829 68.868 0.269 0.000 0.942 377 T HN 0.615 nan 8.240 nan 0.000 0.439 378 N N 0.197 118.999 118.700 0.170 0.000 2.782 378 N HA -0.138 4.602 4.740 -0.000 0.000 0.251 378 N C 0.112 175.729 175.510 0.178 0.000 1.101 378 N CA 1.089 54.233 53.050 0.157 0.000 0.764 378 N CB -1.827 36.611 38.487 -0.081 0.000 1.122 378 N HN 0.686 nan 8.380 nan 0.000 0.561 379 V N -2.749 117.308 119.914 0.239 0.000 3.262 379 V HA 0.931 5.051 4.120 -0.000 0.000 0.313 379 V C 1.352 177.572 176.094 0.209 0.000 1.070 379 V CA -0.150 62.300 62.300 0.251 0.000 1.049 379 V CB 1.202 33.270 31.823 0.407 0.000 1.157 379 V HN 0.150 nan 8.190 nan 0.000 0.454 380 G N 0.478 109.370 108.800 0.154 0.000 2.527 380 G HA2 0.482 4.442 3.960 -0.000 0.000 0.248 380 G HA3 0.482 4.442 3.960 -0.000 0.000 0.248 380 G C -0.904 174.071 174.900 0.125 0.000 1.231 380 G CA -0.377 44.795 45.100 0.120 0.000 0.838 380 G HN 1.061 nan 8.290 nan 0.000 0.570 381 L N 1.248 122.538 121.223 0.111 0.000 2.296 381 L HA 0.566 4.906 4.340 -0.000 0.000 0.286 381 L C 0.366 177.274 176.870 0.063 0.000 1.023 381 L CA -0.737 54.142 54.840 0.065 0.000 0.812 381 L CB 1.208 43.279 42.059 0.020 0.000 1.223 381 L HN 0.525 nan 8.230 nan 0.000 0.421 382 R N 2.458 122.958 120.500 -0.000 0.000 2.486 382 R HA 0.315 4.655 4.340 -0.000 0.000 0.286 382 R C 1.212 177.421 176.300 -0.152 0.000 0.999 382 R CA 0.200 56.227 56.100 -0.123 0.000 0.993 382 R CB 1.302 31.520 30.300 -0.137 0.000 1.084 382 R HN 0.865 nan 8.270 nan 0.000 0.487 383 S N 0.420 115.996 115.700 -0.207 0.000 2.440 383 S HA -0.173 4.297 4.470 -0.000 0.000 0.238 383 S C 1.117 175.632 174.600 -0.142 0.000 1.010 383 S CA 1.494 59.602 58.200 -0.153 0.000 0.972 383 S CB -0.229 62.876 63.200 -0.159 0.000 0.774 383 S HN 0.774 nan 8.310 nan 0.000 0.501 384 D N 0.571 120.871 120.400 -0.166 0.000 2.340 384 D HA 0.215 4.855 4.640 -0.000 0.000 0.220 384 D C 1.348 177.538 176.300 -0.184 0.000 1.039 384 D CA 0.577 54.483 54.000 -0.158 0.000 0.866 384 D CB -0.677 40.030 40.800 -0.155 0.000 0.913 384 D HN 0.588 nan 8.370 nan 0.000 0.523 385 G N -0.893 107.801 108.800 -0.177 0.000 2.157 385 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.248 385 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.248 385 G C 0.567 175.283 174.900 -0.306 0.000 0.979 385 G CA 0.061 45.039 45.100 -0.203 0.000 0.650 385 G HN 0.807 nan 8.290 nan 0.000 0.529 386 G N -1.316 107.311 108.800 -0.290 0.000 2.642 386 G HA2 0.884 4.844 3.960 -0.000 0.000 0.291 386 G HA3 0.884 4.844 3.960 -0.000 0.000 0.291 386 G C 0.261 175.137 174.900 -0.039 0.000 1.345 386 G CA 0.266 45.202 45.100 -0.275 0.000 1.043 386 G HN 1.493 nan 8.290 nan 0.000 0.528 387 V N -3.027 116.902 119.914 0.025 0.000 3.096 387 V HA 0.850 4.970 4.120 -0.000 0.000 0.319 387 V C -1.029 174.970 176.094 -0.159 0.000 1.103 387 V CA -1.218 61.006 62.300 -0.127 0.000 1.016 387 V CB 1.661 33.230 31.823 -0.424 0.000 1.090 387 V HN 0.784 nan 8.190 nan 0.000 0.449 388 Y N 1.904 122.033 120.300 -0.285 0.000 2.513 388 Y HA 0.751 5.301 4.550 -0.000 0.000 0.340 388 Y C -1.538 174.203 175.900 -0.264 0.000 1.055 388 Y CA -1.151 56.715 58.100 -0.389 0.000 1.020 388 Y CB 2.055 40.436 38.460 -0.132 0.000 1.301 388 Y HN 1.079 nan 8.280 nan 0.000 0.453 389 W N 3.208 123.839 121.300 -1.114 0.000 3.075 389 W HA 0.493 5.153 4.660 -0.000 0.000 0.334 389 W C -1.424 174.425 176.519 -1.116 0.000 1.243 389 W CA -1.281 55.533 57.345 -0.884 0.000 1.170 389 W CB 0.279 29.502 29.460 -0.395 0.000 1.452 389 W HN 0.520 nan 8.180 nan 0.000 0.572 390 D N 0.677 120.903 120.400 -0.289 0.000 2.520 390 D HA 0.346 4.986 4.640 -0.000 0.000 0.243 390 D C 1.177 177.507 176.300 0.050 0.000 1.160 390 D CA 2.878 56.828 54.000 -0.083 0.000 0.877 390 D CB 0.545 41.363 40.800 0.030 0.000 1.150 390 D HN 1.043 nan 8.370 nan 0.000 0.494 391 G N 2.933 111.746 108.800 0.022 0.000 2.307 391 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.210 391 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.210 391 G C 0.249 175.157 174.900 0.013 0.000 1.005 391 G CA -0.038 45.103 45.100 0.069 0.000 0.634 391 G HN 0.619 nan 8.290 nan 0.000 0.496 392 L N 2.835 123.941 121.223 -0.196 0.000 2.499 392 L HA 0.493 4.833 4.340 -0.000 0.000 0.273 392 L C 0.630 177.449 176.870 -0.085 0.000 1.195 392 L CA 0.861 55.510 54.840 -0.319 0.000 0.882 392 L CB 0.719 42.178 42.059 -1.000 0.000 1.133 392 L HN 0.389 nan 8.230 nan 0.000 0.483 393 D N 2.925 123.295 120.400 -0.049 0.000 2.696 393 D HA 0.043 4.683 4.640 -0.000 0.000 0.269 393 D C 0.115 176.411 176.300 -0.006 0.000 1.319 393 D CA -0.323 53.677 54.000 -0.000 0.000 0.826 393 D CB -0.194 40.601 40.800 -0.007 0.000 1.086 393 D HN 0.598 nan 8.370 nan 0.000 0.481 394 E N 1.781 121.968 120.200 -0.022 0.000 2.299 394 E HA 0.158 4.508 4.350 -0.000 0.000 0.272 394 E C -1.987 174.622 176.600 0.015 0.000 1.043 394 E CA -1.614 54.782 56.400 -0.006 0.000 0.895 394 E CB 0.660 30.352 29.700 -0.013 0.000 1.011 394 E HN -0.007 nan 8.360 nan 0.000 0.432 395 P HA -0.038 nan 4.420 nan 0.000 0.261 395 P C -0.878 176.422 177.300 0.001 0.000 1.183 395 P CA 0.316 63.419 63.100 0.005 0.000 0.761 395 P CB 0.817 32.515 31.700 -0.003 0.000 0.785 396 T N 1.768 116.323 114.554 0.001 0.000 2.900 396 T HA 0.233 4.583 4.350 -0.000 0.000 0.295 396 T C -0.527 174.156 174.700 -0.028 0.000 1.044 396 T CA -0.767 61.324 62.100 -0.016 0.000 0.995 396 T CB 0.969 69.839 68.868 0.003 0.000 1.072 396 T HN 0.263 nan 8.240 nan 0.000 0.473 397 E N 2.939 123.109 120.200 -0.050 0.000 2.390 397 E HA 0.262 4.612 4.350 -0.000 0.000 0.261 397 E C -2.187 174.382 176.600 -0.051 0.000 1.076 397 E CA -1.606 54.765 56.400 -0.050 0.000 0.905 397 E CB 0.500 30.164 29.700 -0.059 0.000 0.984 397 E HN 0.423 nan 8.360 nan 0.000 0.427 398 P HA 0.037 nan 4.420 nan 0.000 0.268 398 P C 0.357 177.626 177.300 -0.052 0.000 1.205 398 P CA 0.509 63.585 63.100 -0.039 0.000 0.771 398 P CB 0.521 32.201 31.700 -0.033 0.000 0.858 399 G N 0.809 109.579 108.800 -0.050 0.000 2.176 399 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.253 399 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.253 399 G C 0.156 174.994 174.900 -0.103 0.000 0.979 399 G CA -0.179 44.885 45.100 -0.061 0.000 0.641 399 G HN 0.555 nan 8.290 nan 0.000 0.530 400 V N 2.481 122.309 119.914 -0.142 0.000 2.599 400 V HA 0.469 4.589 4.120 -0.000 0.000 0.300 400 V C 1.281 177.129 176.094 -0.412 0.000 1.034 400 V CA 0.989 63.132 62.300 -0.261 0.000 1.115 400 V CB 0.930 32.582 31.823 -0.285 0.000 0.934 400 V HN 0.772 nan 8.190 nan 0.000 0.485 401 T N 3.079 117.386 114.554 -0.412 0.000 2.949 401 T HA 0.743 5.093 4.350 -0.000 0.000 0.287 401 T C -1.013 173.383 174.700 -0.507 0.000 1.034 401 T CA -0.679 61.206 62.100 -0.357 0.000 1.018 401 T CB 1.484 70.277 68.868 -0.125 0.000 1.135 401 T HN 0.337 nan 8.240 nan 0.000 0.532 402 Y N -0.389 119.938 120.300 0.045 0.000 2.499 402 Y HA 0.620 5.170 4.550 -0.000 0.000 0.347 402 Y C 0.514 176.484 175.900 0.115 0.000 0.987 402 Y CA -1.024 57.129 58.100 0.088 0.000 1.044 402 Y CB 2.468 41.053 38.460 0.208 0.000 1.245 402 Y HN 0.909 nan 8.280 nan 0.000 0.461 403 T N 0.778 115.466 114.554 0.225 0.000 2.807 403 T HA 0.535 4.885 4.350 -0.000 0.000 0.279 403 T C -0.059 174.718 174.700 0.128 0.000 0.993 403 T CA -0.672 61.520 62.100 0.154 0.000 0.970 403 T CB 0.564 69.465 68.868 0.055 0.000 0.950 403 T HN 0.798 nan 8.240 nan 0.000 0.441 404 S N 4.931 120.699 115.700 0.114 0.000 2.626 404 S HA 0.161 4.631 4.470 -0.000 0.000 0.257 404 S C 1.589 176.218 174.600 0.049 0.000 1.288 404 S CA -0.506 57.721 58.200 0.044 0.000 0.980 404 S CB 0.118 63.337 63.200 0.033 0.000 0.975 404 S HN 1.006 nan 8.310 nan 0.000 0.577 405 W N 0.124 121.410 121.300 -0.024 0.000 2.538 405 W HA 0.049 4.709 4.660 0.000 0.000 0.254 405 W C 0.611 177.130 176.519 -0.001 0.000 1.249 405 W CA 0.178 57.521 57.345 -0.003 0.000 1.253 405 W CB -1.130 28.338 29.460 0.014 0.000 1.130 405 W HN 0.517 nan 8.180 nan 0.000 0.618 406 L N 1.254 122.064 121.223 -0.688 0.000 2.607 406 L HA 0.297 4.637 4.340 -0.000 0.000 0.228 406 L C 1.893 178.594 176.870 -0.283 0.000 1.123 406 L CA 0.704 55.141 54.840 -0.671 0.000 0.890 406 L CB -0.705 40.900 42.059 -0.757 0.000 1.103 406 L HN 0.208 nan 8.230 nan 0.000 0.468 407 G N 0.667 109.369 108.800 -0.165 0.000 2.148 407 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.254 407 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.254 407 G C 0.148 175.018 174.900 -0.050 0.000 0.981 407 G CA 0.092 45.139 45.100 -0.088 0.000 0.670 407 G HN 0.363 nan 8.290 nan 0.000 0.528 408 K N 0.856 121.231 120.400 -0.041 0.000 2.138 408 K HA 0.542 4.862 4.320 -0.000 0.000 0.263 408 K C -2.459 174.189 176.600 0.079 0.000 0.965 408 K CA -2.280 54.011 56.287 0.007 0.000 0.868 408 K CB 1.575 34.071 32.500 -0.006 0.000 1.083 408 K HN -0.077 nan 8.250 nan 0.000 0.443 409 P HA -0.138 nan 4.420 nan 0.000 0.261 409 P C -1.361 176.050 177.300 0.185 0.000 1.173 409 P CA 0.267 63.433 63.100 0.110 0.000 0.760 409 P CB 0.273 32.003 31.700 0.050 0.000 0.783 410 W N 4.743 126.067 121.300 0.040 0.000 2.915 410 W HA 0.510 5.170 4.660 -0.000 0.000 0.337 410 W C -1.036 175.503 176.519 0.032 0.000 1.102 410 W CA -0.553 56.804 57.345 0.021 0.000 1.224 410 W CB 1.754 31.222 29.460 0.013 0.000 1.416 410 W HN 0.255 nan 8.180 nan 0.000 0.503 411 K N 2.398 122.234 120.400 -0.939 0.000 2.482 411 K HA 0.398 4.718 4.320 -0.000 0.000 0.257 411 K C 0.488 176.163 176.600 -1.542 0.000 0.969 411 K CA -0.741 55.036 56.287 -0.850 0.000 0.842 411 K CB 1.591 33.895 32.500 -0.327 0.000 1.359 411 K HN 0.511 nan 8.250 nan 0.000 0.441 412 H N 0.845 119.396 119.070 -0.866 0.000 2.390 412 H HA -0.129 4.427 4.556 -0.000 0.000 0.298 412 H C 1.730 176.808 175.328 -0.416 0.000 1.106 412 H CA 2.601 58.292 56.048 -0.595 0.000 1.297 412 H CB -0.017 29.626 29.762 -0.199 0.000 1.375 412 H HN 0.931 nan 8.280 nan 0.000 0.509 413 G N 0.489 109.140 108.800 -0.249 0.000 2.498 413 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 413 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 413 G C 0.196 174.984 174.900 -0.188 0.000 1.119 413 G CA 0.071 45.074 45.100 -0.162 0.000 0.766 413 G HN 0.285 nan 8.290 nan 0.000 0.552 414 D N 0.842 121.007 120.400 -0.391 0.000 2.533 414 D HA 0.127 4.767 4.640 -0.000 0.000 0.236 414 D C -0.637 175.660 176.300 -0.005 0.000 1.137 414 D CA -1.337 52.503 54.000 -0.266 0.000 0.867 414 D CB 1.478 41.952 40.800 -0.543 0.000 1.170 414 D HN 0.088 nan 8.370 nan 0.000 0.474 415 P HA -0.144 nan 4.420 nan 0.000 0.215 415 P C -0.195 177.196 177.300 0.152 0.000 1.157 415 P CA 0.974 64.120 63.100 0.077 0.000 0.868 415 P CB 0.210 31.938 31.700 0.048 0.000 0.788 416 E N 1.863 122.182 120.200 0.198 0.000 2.392 416 E HA 0.136 4.486 4.350 -0.000 0.000 0.264 416 E C -2.050 174.812 176.600 0.438 0.000 1.024 416 E CA -1.704 54.861 56.400 0.276 0.000 0.903 416 E CB -0.654 29.209 29.700 0.272 0.000 0.963 416 E HN 0.331 nan 8.360 nan 0.000 0.432 417 P HA -0.017 nan 4.420 nan 0.000 0.278 417 P C 0.200 177.440 177.300 -0.099 0.000 1.238 417 P CA -0.350 62.837 63.100 0.144 0.000 0.794 417 P CB 1.279 32.998 31.700 0.031 0.000 0.955 418 C N 2.599 121.457 119.300 -0.736 0.000 2.429 418 C HA 0.124 4.584 4.460 -0.000 0.000 0.277 418 C C 1.290 176.148 174.990 -0.220 0.000 1.262 418 C CA 1.315 59.665 59.018 -1.113 0.000 1.733 418 C CB -1.332 25.423 27.740 -1.641 0.000 2.010 418 C HN 0.678 nan 8.230 nan 0.000 0.483 419 A N -0.255 122.478 122.820 -0.145 0.000 2.325 419 A HA 0.514 4.834 4.320 -0.000 0.000 0.333 419 A C -0.414 177.032 177.584 -0.230 0.000 1.155 419 A CA -0.341 51.670 52.037 -0.044 0.000 0.814 419 A CB -0.076 18.929 19.000 0.007 0.000 1.206 419 A HN 0.650 nan 8.150 nan 0.000 0.482 420 H N 3.391 122.047 119.070 -0.689 0.000 2.928 420 H HA 0.071 4.627 4.556 -0.000 0.000 0.338 420 H C -1.448 173.596 175.328 -0.474 0.000 1.047 420 H CA -0.800 54.673 56.048 -0.958 0.000 1.435 420 H CB 1.286 30.147 29.762 -1.502 0.000 1.428 420 H HN 0.375 nan 8.280 nan 0.000 0.590 421 P HA -0.158 nan 4.420 nan 0.000 0.220 421 P C 0.686 177.865 177.300 -0.202 0.000 1.144 421 P CA 1.295 64.178 63.100 -0.362 0.000 0.800 421 P CB 0.338 31.814 31.700 -0.373 0.000 0.772 422 N N -0.394 118.294 118.700 -0.020 0.000 2.279 422 N HA 0.021 4.761 4.740 -0.000 0.000 0.226 422 N C -0.295 175.164 175.510 -0.085 0.000 1.126 422 N CA -0.225 52.812 53.050 -0.021 0.000 0.846 422 N CB -0.179 38.299 38.487 -0.016 0.000 1.050 422 N HN 0.016 nan 8.380 nan 0.000 0.502 423 S N -0.225 115.396 115.700 -0.131 0.000 2.573 423 S HA 0.318 4.788 4.470 -0.000 0.000 0.277 423 S C 0.140 174.598 174.600 -0.236 0.000 1.346 423 S CA -0.351 57.760 58.200 -0.149 0.000 1.034 423 S CB 1.221 64.358 63.200 -0.105 0.000 0.879 423 S HN 0.112 nan 8.310 nan 0.000 0.528 424 R N 0.657 121.029 120.500 -0.214 0.000 2.795 424 R HA 0.512 4.852 4.340 -0.000 0.000 0.275 424 R C -1.039 175.130 176.300 -0.218 0.000 0.981 424 R CA -0.687 55.143 56.100 -0.451 0.000 0.917 424 R CB 1.410 31.211 30.300 -0.831 0.000 1.202 424 R HN 0.787 nan 8.270 nan 0.000 0.469 425 F N -1.232 118.530 119.950 -0.314 0.000 2.458 425 F HA 0.670 5.197 4.527 -0.000 0.000 0.330 425 F C -0.261 175.401 175.800 -0.229 0.000 1.082 425 F CA -1.464 56.320 58.000 -0.359 0.000 0.995 425 F CB 1.224 39.952 39.000 -0.454 0.000 1.170 425 F HN 0.333 nan 8.300 nan 0.000 0.478 426 C N 4.067 123.405 119.300 0.063 0.000 2.356 426 C HA 0.916 5.376 4.460 -0.000 0.000 0.324 426 C C -0.544 174.499 174.990 0.088 0.000 1.167 426 C CA 0.012 59.119 59.018 0.147 0.000 1.420 426 C CB -0.791 27.049 27.740 0.167 0.000 2.036 426 C HN 1.210 nan 8.230 nan 0.000 0.435 427 A N 7.117 130.032 122.820 0.157 0.000 2.449 427 A HA 0.912 5.232 4.320 -0.000 0.000 0.302 427 A C -3.060 174.540 177.584 0.027 0.000 1.048 427 A CA -1.331 50.756 52.037 0.084 0.000 0.708 427 A CB 1.462 20.518 19.000 0.093 0.000 1.274 427 A HN 0.600 nan 8.150 nan 0.000 0.410 428 P HA 0.232 nan 4.420 nan 0.000 0.268 428 P C 0.864 178.051 177.300 -0.188 0.000 1.204 428 P CA 0.528 63.569 63.100 -0.098 0.000 0.768 428 P CB 1.056 32.735 31.700 -0.035 0.000 0.842 429 A N 3.934 126.482 122.820 -0.453 0.000 1.972 429 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 429 A C 1.611 178.933 177.584 -0.437 0.000 1.169 429 A CA 2.035 53.613 52.037 -0.766 0.000 0.635 429 A CB -1.331 16.917 19.000 -1.253 0.000 0.810 429 A HN 0.631 nan 8.150 nan 0.000 0.446 430 D N -0.498 119.740 120.400 -0.269 0.000 2.384 430 D HA -0.167 4.473 4.640 -0.000 0.000 0.222 430 D C 1.535 177.815 176.300 -0.033 0.000 0.976 430 D CA 1.213 55.158 54.000 -0.092 0.000 0.915 430 D CB -0.552 40.309 40.800 0.103 0.000 0.896 430 D HN 0.614 nan 8.370 nan 0.000 0.523 431 Q N -0.826 118.960 119.800 -0.023 0.000 2.425 431 Q HA 0.109 4.449 4.340 -0.000 0.000 0.204 431 Q C 0.225 176.232 176.000 0.012 0.000 0.933 431 Q CA -0.131 55.677 55.803 0.008 0.000 0.939 431 Q CB 0.393 29.139 28.738 0.013 0.000 1.044 431 Q HN 0.333 nan 8.270 nan 0.000 0.513 432 C N 2.231 121.554 119.300 0.038 0.000 2.629 432 C HA 0.155 4.615 4.460 -0.000 0.000 0.410 432 C C -1.219 173.761 174.990 -0.017 0.000 1.339 432 C CA -1.703 57.325 59.018 0.017 0.000 1.810 432 C CB 0.446 28.242 27.740 0.093 0.000 2.549 432 C HN 0.319 nan 8.230 nan 0.000 0.589 433 P HA -0.003 nan 4.420 nan 0.000 0.226 433 P C 0.544 177.841 177.300 -0.005 0.000 1.153 433 P CA 1.228 64.319 63.100 -0.015 0.000 0.777 433 P CB -0.188 31.494 31.700 -0.030 0.000 0.794 434 I N -6.798 113.759 120.570 -0.021 0.000 3.762 434 I HA 0.303 4.473 4.170 -0.000 0.000 0.333 434 I C 0.082 176.248 176.117 0.082 0.000 1.566 434 I CA -0.628 60.660 61.300 -0.019 0.000 1.129 434 I CB -0.318 37.606 38.000 -0.127 0.000 1.218 434 I HN -0.333 nan 8.210 nan 0.000 0.456 435 M N 2.178 121.816 119.600 0.062 0.000 2.260 435 M HA 0.071 4.551 4.480 -0.000 0.000 0.348 435 M C 0.100 176.561 176.300 0.269 0.000 1.342 435 M CA 0.431 55.760 55.300 0.049 0.000 1.040 435 M CB -0.558 31.884 32.600 -0.263 0.000 1.810 435 M HN 0.320 nan 8.290 nan 0.000 0.453 436 D N 5.213 125.818 120.400 0.342 0.000 2.443 436 D HA 0.056 4.696 4.640 -0.000 0.000 0.239 436 D C -1.416 175.081 176.300 0.328 0.000 1.136 436 D CA -0.824 53.364 54.000 0.313 0.000 0.879 436 D CB 1.016 42.036 40.800 0.366 0.000 1.195 436 D HN 0.332 nan 8.370 nan 0.000 0.443 437 P HA -0.126 nan 4.420 nan 0.000 0.219 437 P C 0.342 177.728 177.300 0.144 0.000 1.146 437 P CA 1.225 64.423 63.100 0.164 0.000 0.808 437 P CB 0.198 31.939 31.700 0.069 0.000 0.779 438 R N -0.987 119.595 120.500 0.137 0.000 2.427 438 R HA 0.095 4.435 4.340 -0.000 0.000 0.262 438 R C 1.933 178.242 176.300 0.015 0.000 0.943 438 R CA -0.213 55.903 56.100 0.027 0.000 1.081 438 R CB -0.558 29.743 30.300 0.001 0.000 1.166 438 R HN 0.385 nan 8.270 nan 0.000 0.534 439 W N 2.059 123.378 121.300 0.032 0.000 2.341 439 W HA -0.164 4.496 4.660 -0.000 0.000 0.283 439 W C -0.345 176.170 176.519 -0.007 0.000 1.215 439 W CA 1.457 58.821 57.345 0.032 0.000 1.211 439 W CB -0.206 29.297 29.460 0.073 0.000 1.131 439 W HN 0.051 nan 8.180 nan 0.000 0.552 440 D N -0.252 119.588 120.400 -0.934 0.000 2.538 440 D HA 0.027 4.667 4.640 -0.000 0.000 0.231 440 D C -0.516 175.518 176.300 -0.444 0.000 1.229 440 D CA -0.443 53.015 54.000 -0.902 0.000 0.828 440 D CB -0.833 39.132 40.800 -1.392 0.000 1.035 440 D HN -0.193 nan 8.370 nan 0.000 0.495 441 D N 1.720 121.948 120.400 -0.285 0.000 2.358 441 D HA 0.092 4.732 4.640 -0.000 0.000 0.258 441 D C -1.408 174.801 176.300 -0.152 0.000 1.223 441 D CA -1.859 52.033 54.000 -0.180 0.000 0.886 441 D CB 1.814 42.538 40.800 -0.127 0.000 1.120 441 D HN -0.051 nan 8.370 nan 0.000 0.482 442 P HA -0.066 nan 4.420 nan 0.000 0.225 442 P C 0.682 177.932 177.300 -0.083 0.000 1.148 442 P CA 0.746 63.785 63.100 -0.102 0.000 0.779 442 P CB 0.297 31.945 31.700 -0.087 0.000 0.780 443 E N -0.401 119.750 120.200 -0.081 0.000 2.268 443 E HA 0.104 4.454 4.350 -0.000 0.000 0.195 443 E C 1.096 177.650 176.600 -0.078 0.000 0.995 443 E CA 0.443 56.801 56.400 -0.070 0.000 0.836 443 E CB -0.405 29.258 29.700 -0.061 0.000 0.763 443 E HN 0.197 nan 8.360 nan 0.000 0.491 444 G N 0.612 109.354 108.800 -0.097 0.000 2.829 444 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.628 444 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.628 444 G C -0.175 174.622 174.900 -0.171 0.000 1.412 444 G CA -0.365 44.669 45.100 -0.111 0.000 0.864 444 G HN 0.470 nan 8.290 nan 0.000 0.544 445 V N -2.262 117.504 119.914 -0.246 0.000 2.667 445 V HA 0.908 5.028 4.120 -0.000 0.000 0.308 445 V C -2.221 173.715 176.094 -0.264 0.000 1.048 445 V CA -2.044 59.980 62.300 -0.461 0.000 0.928 445 V CB 2.276 33.431 31.823 -1.114 0.000 1.004 445 V HN 0.908 nan 8.190 nan 0.000 0.444 446 P HA 0.405 nan 4.420 nan 0.000 0.287 446 P C -0.839 176.523 177.300 0.105 0.000 1.281 446 P CA -0.157 62.949 63.100 0.010 0.000 0.781 446 P CB 0.969 32.706 31.700 0.063 0.000 0.903 447 I N 4.109 124.735 120.570 0.094 0.000 2.315 447 I HA 0.151 4.321 4.170 -0.000 0.000 0.291 447 I C 0.992 177.204 176.117 0.158 0.000 1.006 447 I CA 0.156 61.542 61.300 0.143 0.000 1.265 447 I CB 0.747 38.818 38.000 0.117 0.000 1.387 447 I HN 0.296 nan 8.210 nan 0.000 0.475 448 D N 4.681 125.177 120.400 0.161 0.000 2.407 448 D HA 0.304 4.944 4.640 -0.000 0.000 0.208 448 D C 0.424 176.834 176.300 0.184 0.000 1.083 448 D CA 0.439 54.525 54.000 0.142 0.000 0.844 448 D CB 1.322 42.164 40.800 0.069 0.000 0.967 448 D HN 0.589 nan 8.370 nan 0.000 0.506 449 A N 0.547 123.484 122.820 0.194 0.000 2.517 449 A HA 0.643 4.963 4.320 -0.000 0.000 0.297 449 A C -1.165 176.530 177.584 0.185 0.000 1.050 449 A CA -0.542 51.651 52.037 0.260 0.000 0.694 449 A CB 1.292 20.410 19.000 0.196 0.000 1.277 449 A HN 0.009 nan 8.150 nan 0.000 0.400 450 I N 2.376 123.050 120.570 0.173 0.000 2.433 450 I HA 0.462 4.632 4.170 -0.000 0.000 0.292 450 I C -0.878 175.108 176.117 -0.220 0.000 1.001 450 I CA -0.457 60.812 61.300 -0.050 0.000 1.119 450 I CB 1.816 39.782 38.000 -0.058 0.000 1.289 450 I HN 0.510 nan 8.210 nan 0.000 0.438 451 I N 6.136 126.505 120.570 -0.334 0.000 2.418 451 I HA 0.362 4.532 4.170 -0.000 0.000 0.287 451 I C -0.838 175.016 176.117 -0.438 0.000 1.008 451 I CA -0.435 60.710 61.300 -0.258 0.000 1.104 451 I CB 1.130 39.094 38.000 -0.061 0.000 1.264 451 I HN 0.276 nan 8.210 nan 0.000 0.438 452 F N 3.719 123.629 119.950 -0.067 0.000 2.397 452 F HA 0.830 5.356 4.527 -0.000 0.000 0.331 452 F C 0.903 176.502 175.800 -0.334 0.000 1.090 452 F CA -0.670 57.236 58.000 -0.158 0.000 1.065 452 F CB 1.749 40.626 39.000 -0.206 0.000 1.184 452 F HN 0.449 nan 8.300 nan 0.000 0.499 453 G N -0.275 108.508 108.800 -0.029 0.000 2.579 453 G HA2 0.582 4.542 3.960 -0.000 0.000 0.292 453 G HA3 0.582 4.542 3.960 -0.000 0.000 0.292 453 G C -1.304 173.424 174.900 -0.285 0.000 1.484 453 G CA -0.197 44.605 45.100 -0.497 0.000 0.813 453 G HN 0.991 nan 8.290 nan 0.000 0.515 454 G N -0.745 107.869 108.800 -0.311 0.000 2.682 454 G HA2 0.620 4.580 3.960 -0.000 0.000 0.303 454 G HA3 0.620 4.580 3.960 -0.000 0.000 0.303 454 G C -1.253 173.574 174.900 -0.123 0.000 1.341 454 G CA -1.006 43.991 45.100 -0.173 0.000 0.784 454 G HN 0.614 nan 8.290 nan 0.000 0.497 455 R N 1.096 121.469 120.500 -0.211 0.000 2.220 455 R HA 0.436 4.776 4.340 -0.000 0.000 0.340 455 R C -0.595 175.660 176.300 -0.075 0.000 1.076 455 R CA -0.442 55.517 56.100 -0.235 0.000 0.920 455 R CB 0.728 30.712 30.300 -0.527 0.000 1.062 455 R HN 0.108 nan 8.270 nan 0.000 0.469 456 R N 3.985 124.500 120.500 0.026 0.000 2.388 456 R HA 0.200 4.540 4.340 -0.000 0.000 0.314 456 R C -1.984 174.331 176.300 0.026 0.000 0.959 456 R CA -2.278 53.821 56.100 -0.002 0.000 0.851 456 R CB 1.664 31.953 30.300 -0.018 0.000 1.168 456 R HN 0.389 nan 8.270 nan 0.000 0.472 457 P HA -0.055 nan 4.420 nan 0.000 0.225 457 P C -0.171 177.100 177.300 -0.050 0.000 1.156 457 P CA 0.852 63.965 63.100 0.021 0.000 0.787 457 P CB 0.716 32.413 31.700 -0.005 0.000 0.802 458 R N -2.011 118.416 120.500 -0.121 0.000 2.740 458 R HA 0.486 4.826 4.340 -0.000 0.000 0.273 458 R C 1.059 177.007 176.300 -0.587 0.000 0.998 458 R CA -0.044 55.904 56.100 -0.253 0.000 0.900 458 R CB 0.954 31.151 30.300 -0.171 0.000 1.223 458 R HN 0.159 nan 8.270 nan 0.000 0.466 459 G N 0.255 108.556 108.800 -0.832 0.000 2.396 459 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.242 459 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.242 459 G C -0.183 174.151 174.900 -0.943 0.000 1.069 459 G CA 0.301 44.431 45.100 -1.617 0.000 0.633 459 G HN 0.388 nan 8.290 nan 0.000 0.517 460 V N 3.696 123.296 119.914 -0.524 0.000 2.385 460 V HA 0.474 4.594 4.120 -0.000 0.000 0.269 460 V C -1.469 174.555 176.094 -0.117 0.000 1.043 460 V CA -1.353 60.882 62.300 -0.109 0.000 0.906 460 V CB 1.394 33.212 31.823 -0.009 0.000 0.995 460 V HN 0.192 nan 8.190 nan 0.000 0.467 461 P HA 0.096 nan 4.420 nan 0.000 0.272 461 P C 0.856 177.930 177.300 -0.376 0.000 1.240 461 P CA -0.464 62.476 63.100 -0.268 0.000 0.791 461 P CB 0.679 32.318 31.700 -0.102 0.000 0.978 462 L N 2.318 123.102 121.223 -0.731 0.000 2.013 462 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 462 L C 0.512 177.125 176.870 -0.428 0.000 1.073 462 L CA 2.152 56.577 54.840 -0.692 0.000 0.753 462 L CB -0.226 41.198 42.059 -1.058 0.000 0.890 462 L HN 0.213 nan 8.230 nan 0.000 0.432 463 V N -0.530 119.230 119.914 -0.256 0.000 2.817 463 V HA 0.526 4.646 4.120 -0.000 0.000 0.303 463 V C -1.387 174.809 176.094 0.169 0.000 1.151 463 V CA -0.675 61.627 62.300 0.003 0.000 0.929 463 V CB 2.140 33.983 31.823 0.033 0.000 1.030 463 V HN -0.213 nan 8.190 nan 0.000 0.427 464 V N 5.464 125.531 119.914 0.256 0.000 2.789 464 V HA 0.576 4.696 4.120 -0.000 0.000 0.311 464 V C -0.339 175.995 176.094 0.401 0.000 1.073 464 V CA -0.626 61.838 62.300 0.274 0.000 0.921 464 V CB 1.991 33.896 31.823 0.136 0.000 1.009 464 V HN 0.967 nan 8.190 nan 0.000 0.426 465 E N 2.542 122.995 120.200 0.422 0.000 2.191 465 E HA 0.697 5.047 4.350 -0.000 0.000 0.278 465 E C -0.056 176.552 176.600 0.013 0.000 0.972 465 E CA -0.553 55.927 56.400 0.133 0.000 0.804 465 E CB 1.784 31.602 29.700 0.196 0.000 1.110 465 E HN 0.913 nan 8.360 nan 0.000 0.394 466 A N 3.412 126.155 122.820 -0.128 0.000 2.425 466 A HA 0.094 4.414 4.320 -0.000 0.000 0.242 466 A C 0.126 177.832 177.584 0.203 0.000 1.077 466 A CA -0.142 51.867 52.037 -0.046 0.000 0.781 466 A CB 0.043 18.980 19.000 -0.105 0.000 1.020 466 A HN 0.743 nan 8.150 nan 0.000 0.494 467 F N 0.826 121.080 119.950 0.507 0.000 2.502 467 F HA 0.290 4.817 4.527 -0.000 0.000 0.298 467 F C 1.600 177.565 175.800 0.274 0.000 1.111 467 F CA 0.968 59.125 58.000 0.263 0.000 1.445 467 F CB -0.536 38.430 39.000 -0.057 0.000 1.081 467 F HN 0.835 nan 8.300 nan 0.000 0.558 468 G N -2.772 106.286 108.800 0.429 0.000 2.321 468 G HA2 0.008 3.968 3.960 -0.000 0.000 0.296 468 G HA3 0.008 3.968 3.960 -0.000 0.000 0.296 468 G C -0.319 174.797 174.900 0.360 0.000 1.287 468 G CA -0.369 44.947 45.100 0.360 0.000 0.846 468 G HN 0.079 nan 8.290 nan 0.000 0.508 469 W N 0.592 122.014 121.300 0.203 0.000 2.378 469 W HA -0.047 4.613 4.660 -0.000 0.000 0.313 469 W C 2.412 179.077 176.519 0.243 0.000 1.197 469 W CA 1.743 59.221 57.345 0.221 0.000 1.304 469 W CB -0.005 29.574 29.460 0.197 0.000 1.148 469 W HN 0.587 nan 8.180 nan 0.000 0.494 470 R N -0.860 119.860 120.500 0.367 0.000 2.096 470 R HA -0.254 4.086 4.340 -0.000 0.000 0.240 470 R C 2.436 178.865 176.300 0.214 0.000 1.139 470 R CA 2.005 58.257 56.100 0.252 0.000 0.952 470 R CB -1.375 29.064 30.300 0.233 0.000 0.854 470 R HN 0.422 nan 8.270 nan 0.000 0.436 471 H N -0.427 118.726 119.070 0.138 0.000 2.353 471 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 471 H C 1.974 177.380 175.328 0.131 0.000 1.090 471 H CA 1.385 57.520 56.048 0.146 0.000 1.327 471 H CB 0.020 29.875 29.762 0.155 0.000 1.383 471 H HN 0.315 nan 8.280 nan 0.000 0.508 472 G N 0.248 109.000 108.800 -0.079 0.000 2.402 472 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 472 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 472 G C 1.867 176.629 174.900 -0.230 0.000 1.162 472 G CA 0.866 45.860 45.100 -0.177 0.000 0.777 472 G HN 0.330 nan 8.290 nan 0.000 0.539 473 V N 0.639 120.429 119.914 -0.206 0.000 2.332 473 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 473 V C 2.336 178.389 176.094 -0.069 0.000 1.055 473 V CA 1.943 64.192 62.300 -0.085 0.000 1.038 473 V CB -0.650 31.208 31.823 0.058 0.000 0.651 473 V HN 0.424 nan 8.190 nan 0.000 0.450 474 F N 0.574 120.443 119.950 -0.134 0.000 2.095 474 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 474 F C 2.327 178.013 175.800 -0.190 0.000 1.104 474 F CA 2.042 59.983 58.000 -0.099 0.000 1.232 474 F CB -0.326 38.670 39.000 -0.007 0.000 0.987 474 F HN 0.063 nan 8.300 nan 0.000 0.475 475 M N 0.385 119.674 119.600 -0.518 0.000 2.080 475 M HA -0.143 4.337 4.480 -0.000 0.000 0.260 475 M C 2.550 178.360 176.300 -0.817 0.000 1.068 475 M CA 1.801 56.705 55.300 -0.661 0.000 1.109 475 M CB -1.562 30.779 32.600 -0.432 0.000 1.342 475 M HN 0.370 nan 8.290 nan 0.000 0.405 476 G N 0.629 108.617 108.800 -1.354 0.000 2.491 476 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 476 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 476 G C 1.633 175.990 174.900 -0.905 0.000 1.180 476 G CA 1.632 45.413 45.100 -2.199 0.000 0.774 476 G HN 0.583 nan 8.290 nan 0.000 0.562 477 S N 0.552 116.039 115.700 -0.356 0.000 2.447 477 S HA 0.302 4.772 4.470 -0.000 0.000 0.233 477 S C 2.223 176.852 174.600 0.047 0.000 1.006 477 S CA 1.311 59.558 58.200 0.078 0.000 0.957 477 S CB -0.123 63.138 63.200 0.101 0.000 0.773 477 S HN 0.666 nan 8.310 nan 0.000 0.507 478 A N 0.613 123.275 122.820 -0.264 0.000 2.308 478 A HA 0.517 4.837 4.320 -0.000 0.000 0.217 478 A C 0.859 178.297 177.584 -0.242 0.000 1.216 478 A CA -0.431 51.431 52.037 -0.291 0.000 0.864 478 A CB -0.499 18.115 19.000 -0.644 0.000 0.902 478 A HN 0.563 nan 8.150 nan 0.000 0.499 479 M N 1.010 120.486 119.600 -0.207 0.000 2.260 479 M HA 0.129 4.609 4.480 -0.000 0.000 0.348 479 M C 0.112 176.310 176.300 -0.169 0.000 1.342 479 M CA 1.003 56.230 55.300 -0.121 0.000 1.040 479 M CB 0.273 32.828 32.600 -0.074 0.000 1.810 479 M HN 0.292 nan 8.290 nan 0.000 0.453 480 R N 1.192 121.573 120.500 -0.198 0.000 2.795 480 R HA 0.741 5.081 4.340 -0.000 0.000 0.275 480 R C -1.223 174.971 176.300 -0.176 0.000 0.981 480 R CA -0.842 55.078 56.100 -0.301 0.000 0.917 480 R CB 2.402 32.404 30.300 -0.497 0.000 1.202 480 R HN 0.642 nan 8.270 nan 0.000 0.469 481 S N 0.491 116.084 115.700 -0.177 0.000 2.535 481 S HA 0.184 4.654 4.470 -0.000 0.000 0.272 481 S C -1.462 173.052 174.600 -0.144 0.000 1.149 481 S CA -0.817 57.298 58.200 -0.140 0.000 0.888 481 S CB 1.305 64.440 63.200 -0.108 0.000 1.110 481 S HN 0.555 nan 8.310 nan 0.000 0.463 482 E N 2.048 122.162 120.200 -0.143 0.000 2.414 482 E HA 0.385 4.735 4.350 -0.000 0.000 0.263 482 E C 0.399 176.934 176.600 -0.109 0.000 1.000 482 E CA 0.059 56.385 56.400 -0.124 0.000 0.914 482 E CB 0.529 30.156 29.700 -0.122 0.000 0.948 482 E HN 0.674 nan 8.360 nan 0.000 0.444 483 A N 3.070 125.844 122.820 -0.077 0.000 2.483 483 A HA 0.250 4.570 4.320 -0.000 0.000 0.238 483 A C 0.515 178.080 177.584 -0.031 0.000 1.070 483 A CA -0.058 51.961 52.037 -0.031 0.000 0.770 483 A CB 0.182 19.192 19.000 0.018 0.000 1.008 483 A HN 0.670 nan 8.150 nan 0.000 0.497 484 T N -1.877 112.672 114.554 -0.009 0.000 2.804 484 T HA 0.641 4.991 4.350 -0.000 0.000 0.272 484 T C 0.807 175.500 174.700 -0.013 0.000 0.986 484 T CA -0.023 62.060 62.100 -0.028 0.000 0.999 484 T CB 1.311 70.159 68.868 -0.033 0.000 1.307 484 T HN 1.253 nan 8.240 nan 0.000 0.586 485 A N -0.503 122.295 122.820 -0.037 0.000 2.259 485 A HA 0.568 4.888 4.320 -0.000 0.000 0.208 485 A C 2.142 179.706 177.584 -0.034 0.000 1.201 485 A CA 0.630 52.639 52.037 -0.045 0.000 0.824 485 A CB -1.288 17.659 19.000 -0.089 0.000 0.838 485 A HN 1.100 nan 8.150 nan 0.000 0.485 486 A N -0.895 121.927 122.820 0.003 0.000 2.119 486 A HA 0.526 4.846 4.320 -0.000 0.000 0.217 486 A C 1.347 178.943 177.584 0.019 0.000 1.153 486 A CA 1.374 53.437 52.037 0.044 0.000 0.692 486 A CB -0.291 18.785 19.000 0.126 0.000 0.799 486 A HN 1.012 nan 8.150 nan 0.000 0.458 487 A N -0.716 122.094 122.820 -0.017 0.000 2.973 487 A HA 0.578 4.898 4.320 -0.000 0.000 0.267 487 A C 0.713 178.197 177.584 -0.167 0.000 1.210 487 A CA 0.320 52.304 52.037 -0.089 0.000 0.749 487 A CB 0.064 19.025 19.000 -0.065 0.000 1.373 487 A HN 0.140 nan 8.150 nan 0.000 0.585 488 E N 0.713 120.721 120.200 -0.321 0.000 2.479 488 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 488 E C -0.592 175.842 176.600 -0.277 0.000 1.049 488 E CA 0.044 56.272 56.400 -0.287 0.000 0.870 488 E CB -0.325 29.220 29.700 -0.258 0.000 0.944 488 E HN 0.597 nan 8.360 nan 0.000 0.492 489 H N 1.878 120.937 119.070 -0.018 0.000 2.582 489 H HA 0.232 4.788 4.556 -0.000 0.000 0.345 489 H C 0.386 175.700 175.328 -0.024 0.000 1.104 489 H CA -0.331 55.706 56.048 -0.018 0.000 1.390 489 H CB 0.816 30.565 29.762 -0.023 0.000 1.461 489 H HN -0.118 nan 8.280 nan 0.000 0.551 490 K N 1.648 122.108 120.400 0.100 0.000 2.401 490 K HA 0.102 4.422 4.320 -0.000 0.000 0.278 490 K C 0.858 177.472 176.600 0.024 0.000 1.018 490 K CA -0.292 56.018 56.287 0.039 0.000 0.981 490 K CB 0.436 32.952 32.500 0.027 0.000 0.933 490 K HN 0.790 nan 8.250 nan 0.000 0.477 491 G N 0.099 108.897 108.800 -0.003 0.000 2.340 491 G HA2 0.341 4.301 3.960 -0.000 0.000 0.245 491 G HA3 0.341 4.301 3.960 -0.000 0.000 0.245 491 G C 0.972 175.855 174.900 -0.029 0.000 1.294 491 G CA 0.326 45.413 45.100 -0.021 0.000 0.896 491 G HN 0.712 nan 8.290 nan 0.000 0.522 492 G N 1.546 110.320 108.800 -0.044 0.000 2.213 492 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.236 492 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.236 492 G C 0.808 175.674 174.900 -0.056 0.000 0.991 492 G CA 0.355 45.424 45.100 -0.052 0.000 0.629 492 G HN 0.967 nan 8.290 nan 0.000 0.517 493 R N 0.650 121.122 120.500 -0.047 0.000 2.458 493 R HA 0.382 4.722 4.340 -0.000 0.000 0.303 493 R C -0.028 176.218 176.300 -0.090 0.000 1.013 493 R CA -0.550 55.516 56.100 -0.057 0.000 1.026 493 R CB 0.024 30.300 30.300 -0.040 0.000 0.948 493 R HN 0.127 nan 8.270 nan 0.000 0.417 494 L N 6.294 127.454 121.223 -0.105 0.000 2.456 494 L HA 0.182 4.522 4.340 -0.000 0.000 0.277 494 L C -0.196 176.564 176.870 -0.184 0.000 1.124 494 L CA 1.041 55.791 54.840 -0.150 0.000 0.880 494 L CB 0.677 42.640 42.059 -0.160 0.000 1.192 494 L HN 0.708 nan 8.230 nan 0.000 0.463 495 M N 3.570 123.049 119.600 -0.203 0.000 2.528 495 M HA 0.373 4.853 4.480 -0.000 0.000 0.321 495 M C -0.450 175.690 176.300 -0.267 0.000 1.153 495 M CA -0.774 54.404 55.300 -0.203 0.000 0.951 495 M CB 1.805 34.288 32.600 -0.195 0.000 1.705 495 M HN 0.386 nan 8.290 nan 0.000 0.451 496 H N 1.514 120.417 119.070 -0.278 0.000 2.764 496 H HA 0.094 4.650 4.556 -0.000 0.000 0.341 496 H C -0.856 174.376 175.328 -0.160 0.000 1.072 496 H CA 0.783 56.609 56.048 -0.370 0.000 1.444 496 H CB 0.819 30.051 29.762 -0.884 0.000 1.458 496 H HN 0.484 nan 8.280 nan 0.000 0.572 497 D N 4.236 124.639 120.400 0.005 0.000 2.714 497 D HA 0.142 4.782 4.640 -0.000 0.000 0.264 497 D C -2.717 173.660 176.300 0.129 0.000 1.231 497 D CA -1.568 52.472 54.000 0.067 0.000 0.802 497 D CB 0.904 41.718 40.800 0.023 0.000 1.319 497 D HN 0.269 nan 8.370 nan 0.000 0.528 498 P HA 0.014 nan 4.420 nan 0.000 0.263 498 P C 0.282 177.827 177.300 0.408 0.000 1.195 498 P CA -0.005 63.307 63.100 0.354 0.000 0.762 498 P CB 0.019 32.089 31.700 0.616 0.000 0.799 499 F N 1.724 121.667 119.950 -0.012 0.000 3.048 499 F HA -0.298 4.229 4.527 -0.000 0.000 0.287 499 F C 1.456 177.353 175.800 0.162 0.000 0.796 499 F CA 1.115 59.149 58.000 0.057 0.000 1.111 499 F CB -2.564 36.526 39.000 0.150 0.000 1.320 499 F HN 0.590 nan 8.300 nan 0.000 0.430 500 A N -1.530 121.438 122.820 0.246 0.000 2.816 500 A HA -0.303 4.017 4.320 -0.000 0.000 0.270 500 A C 1.396 179.175 177.584 0.325 0.000 1.413 500 A CA 1.683 53.893 52.037 0.288 0.000 0.866 500 A CB -1.377 17.812 19.000 0.315 0.000 1.032 500 A HN 0.418 nan 8.150 nan 0.000 0.642 501 M N -1.499 118.126 119.600 0.042 0.000 2.356 501 M HA 0.134 4.614 4.480 -0.000 0.000 0.262 501 M C 1.642 177.415 176.300 -0.879 0.000 1.097 501 M CA 0.589 55.656 55.300 -0.389 0.000 0.991 501 M CB -0.461 31.622 32.600 -0.861 0.000 1.450 501 M HN 0.661 nan 8.290 nan 0.000 0.495 502 R N 1.924 122.188 120.500 -0.394 0.000 2.112 502 R HA -0.165 4.175 4.340 -0.000 0.000 0.242 502 R C -1.062 175.040 176.300 -0.330 0.000 1.137 502 R CA 1.978 57.965 56.100 -0.189 0.000 0.944 502 R CB -1.053 29.245 30.300 -0.002 0.000 0.857 502 R HN 0.159 nan 8.270 nan 0.000 0.435 503 P HA -0.002 nan 4.420 nan 0.000 0.245 503 P C -0.095 176.706 177.300 -0.832 0.000 1.212 503 P CA 0.961 63.584 63.100 -0.795 0.000 0.774 503 P CB 0.147 31.113 31.700 -1.223 0.000 0.999 504 F N -3.408 116.370 119.950 -0.286 0.000 2.746 504 F HA 0.310 4.837 4.527 -0.000 0.000 0.320 504 F C 0.604 176.235 175.800 -0.283 0.000 1.097 504 F CA -1.082 56.751 58.000 -0.277 0.000 1.195 504 F CB -0.680 38.148 39.000 -0.287 0.000 1.056 504 F HN -0.314 nan 8.300 nan 0.000 0.562 505 F N 1.014 120.922 119.950 -0.070 0.000 2.608 505 F HA 0.317 4.844 4.527 -0.000 0.000 0.380 505 F C 1.611 177.357 175.800 -0.090 0.000 1.083 505 F CA 0.072 57.969 58.000 -0.170 0.000 1.266 505 F CB 0.333 39.164 39.000 -0.282 0.000 1.076 505 F HN 0.101 nan 8.300 nan 0.000 0.574 506 G N 2.508 111.431 108.800 0.204 0.000 3.159 506 G HA2 0.237 4.197 3.960 -0.000 0.000 0.232 506 G HA3 0.237 4.197 3.960 -0.000 0.000 0.232 506 G C -0.650 174.440 174.900 0.315 0.000 1.116 506 G CA 0.190 45.414 45.100 0.206 0.000 0.767 506 G HN 0.638 nan 8.290 nan 0.000 0.547 507 Y N -2.529 117.823 120.300 0.086 0.000 2.764 507 Y HA 0.510 5.060 4.550 -0.000 0.000 0.331 507 Y C -0.621 175.264 175.900 -0.026 0.000 1.280 507 Y CA -2.439 55.680 58.100 0.032 0.000 1.065 507 Y CB 0.127 38.596 38.460 0.015 0.000 1.319 507 Y HN -0.150 nan 8.280 nan 0.000 0.453 508 N N 0.980 119.655 118.700 -0.041 0.000 2.236 508 N HA -0.069 4.671 4.740 -0.000 0.000 0.274 508 N C 0.958 176.213 175.510 -0.424 0.000 1.339 508 N CA 1.046 53.981 53.050 -0.190 0.000 0.845 508 N CB 1.379 39.843 38.487 -0.038 0.000 1.091 508 N HN 0.979 nan 8.380 nan 0.000 0.489 509 A N 4.171 126.615 122.820 -0.627 0.000 1.969 509 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 509 A C 2.042 179.538 177.584 -0.146 0.000 1.169 509 A CA 1.629 53.136 52.037 -0.882 0.000 0.635 509 A CB -0.787 17.362 19.000 -1.419 0.000 0.810 509 A HN 0.752 nan 8.150 nan 0.000 0.445 510 G N -0.134 108.689 108.800 0.039 0.000 2.440 510 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 510 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 510 G C 1.747 176.729 174.900 0.136 0.000 1.154 510 G CA 0.913 46.150 45.100 0.228 0.000 0.767 510 G HN 0.588 nan 8.290 nan 0.000 0.552 511 R N -1.022 119.541 120.500 0.106 0.000 2.115 511 R HA -0.060 4.280 4.340 -0.000 0.000 0.230 511 R C 2.296 178.796 176.300 0.334 0.000 1.111 511 R CA 1.170 57.394 56.100 0.207 0.000 0.976 511 R CB -0.506 29.956 30.300 0.270 0.000 0.870 511 R HN 0.557 nan 8.270 nan 0.000 0.445 512 Y N 1.604 121.934 120.300 0.050 0.000 2.181 512 Y HA -0.164 4.386 4.550 -0.000 0.000 0.288 512 Y C 1.886 177.934 175.900 0.246 0.000 1.146 512 Y CA 1.382 59.565 58.100 0.138 0.000 1.164 512 Y CB -0.199 38.143 38.460 -0.196 0.000 0.982 512 Y HN -0.077 nan 8.280 nan 0.000 0.515 513 L N 0.163 121.533 121.223 0.244 0.000 2.046 513 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 513 L C 2.417 179.375 176.870 0.148 0.000 1.077 513 L CA 1.797 56.708 54.840 0.119 0.000 0.747 513 L CB -0.640 41.470 42.059 0.084 0.000 0.896 513 L HN 0.308 nan 8.230 nan 0.000 0.432 514 E N -0.723 119.571 120.200 0.157 0.000 2.097 514 E HA -0.318 4.032 4.350 -0.000 0.000 0.196 514 E C 2.073 178.787 176.600 0.191 0.000 1.000 514 E CA 1.729 58.222 56.400 0.155 0.000 0.804 514 E CB -0.284 29.498 29.700 0.137 0.000 0.740 514 E HN 0.496 nan 8.360 nan 0.000 0.454 515 H N -0.528 118.599 119.070 0.095 0.000 2.353 515 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 515 H C 1.585 176.911 175.328 -0.004 0.000 1.090 515 H CA 1.711 57.774 56.048 0.024 0.000 1.327 515 H CB -0.337 29.432 29.762 0.011 0.000 1.383 515 H HN 0.188 nan 8.280 nan 0.000 0.508 516 W N 0.462 121.666 121.300 -0.160 0.000 2.358 516 W HA -0.097 4.563 4.660 -0.000 0.000 0.303 516 W C 2.420 179.107 176.519 0.281 0.000 1.208 516 W CA 1.293 58.606 57.345 -0.054 0.000 1.274 516 W CB -0.386 28.939 29.460 -0.225 0.000 1.138 516 W HN 0.189 nan 8.180 nan 0.000 0.515 517 L N -0.662 120.813 121.223 0.420 0.000 2.012 517 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 517 L C 2.437 179.476 176.870 0.282 0.000 1.073 517 L CA 1.609 56.696 54.840 0.411 0.000 0.748 517 L CB -1.199 41.011 42.059 0.252 0.000 0.891 517 L HN -0.172 nan 8.230 nan 0.000 0.431 518 S N -0.995 114.788 115.700 0.139 0.000 2.399 518 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 518 S C 1.976 176.547 174.600 -0.047 0.000 1.022 518 S CA 1.664 59.888 58.200 0.040 0.000 0.983 518 S CB -0.356 62.871 63.200 0.044 0.000 0.803 518 S HN 0.442 nan 8.310 nan 0.000 0.480 519 T N 1.585 116.087 114.554 -0.087 0.000 2.759 519 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 519 T C 1.940 176.460 174.700 -0.299 0.000 1.042 519 T CA 1.373 63.382 62.100 -0.153 0.000 1.140 519 T CB -0.630 68.091 68.868 -0.246 0.000 0.864 519 T HN 0.570 nan 8.240 nan 0.000 0.455 520 G N 0.617 109.141 108.800 -0.460 0.000 2.744 520 G HA2 0.064 4.024 3.960 -0.000 0.000 0.211 520 G HA3 0.064 4.024 3.960 -0.000 0.000 0.211 520 G C 1.096 175.659 174.900 -0.563 0.000 1.143 520 G CA 0.027 44.419 45.100 -1.179 0.000 0.788 520 G HN 0.467 nan 8.290 nan 0.000 0.534 521 L N 0.178 121.223 121.223 -0.297 0.000 2.629 521 L HA 0.288 4.628 4.340 -0.000 0.000 0.230 521 L C 1.214 177.952 176.870 -0.220 0.000 1.151 521 L CA -0.636 54.090 54.840 -0.190 0.000 0.924 521 L CB -0.056 41.952 42.059 -0.086 0.000 1.137 521 L HN 0.031 nan 8.230 nan 0.000 0.457 522 R N 1.864 122.163 120.500 -0.335 0.000 2.502 522 R HA -0.007 4.333 4.340 -0.000 0.000 0.292 522 R C 0.500 176.608 176.300 -0.321 0.000 0.998 522 R CA 0.172 56.044 56.100 -0.381 0.000 1.056 522 R CB 0.473 30.350 30.300 -0.705 0.000 0.939 522 R HN 0.240 nan 8.270 nan 0.000 0.411 523 S N 4.457 120.019 115.700 -0.230 0.000 2.523 523 S HA 0.154 4.624 4.470 -0.000 0.000 0.275 523 S C 0.034 174.528 174.600 -0.176 0.000 1.281 523 S CA -0.530 57.568 58.200 -0.170 0.000 1.050 523 S CB 0.854 63.984 63.200 -0.116 0.000 0.937 523 S HN 0.834 nan 8.310 nan 0.000 0.492 524 N N -0.002 118.610 118.700 -0.146 0.000 2.708 524 N HA -0.169 4.571 4.740 -0.000 0.000 0.251 524 N C 0.118 175.528 175.510 -0.167 0.000 1.123 524 N CA 1.051 54.026 53.050 -0.125 0.000 0.739 524 N CB -1.666 36.767 38.487 -0.090 0.000 1.113 524 N HN 1.042 nan 8.380 nan 0.000 0.561 525 A N 0.586 123.249 122.820 -0.262 0.000 2.425 525 A HA 0.361 4.681 4.320 -0.000 0.000 0.249 525 A C 0.785 178.260 177.584 -0.183 0.000 1.084 525 A CA -0.034 51.787 52.037 -0.360 0.000 0.781 525 A CB 0.491 19.089 19.000 -0.670 0.000 1.019 525 A HN 0.220 nan 8.150 nan 0.000 0.490 526 R N 2.961 123.416 120.500 -0.075 0.000 2.755 526 R HA 0.258 4.598 4.340 -0.000 0.000 0.268 526 R C -1.033 175.327 176.300 0.099 0.000 1.295 526 R CA -0.212 55.899 56.100 0.017 0.000 1.379 526 R CB 0.134 30.460 30.300 0.045 0.000 1.170 526 R HN 0.654 nan 8.270 nan 0.000 0.584 527 L N 4.469 125.728 121.223 0.061 0.000 2.453 527 L HA 0.160 4.500 4.340 -0.000 0.000 0.272 527 L C -1.428 175.607 176.870 0.275 0.000 1.182 527 L CA -1.570 53.358 54.840 0.147 0.000 0.858 527 L CB -0.008 42.065 42.059 0.024 0.000 1.120 527 L HN 0.164 nan 8.230 nan 0.000 0.474 528 P HA 0.132 nan 4.420 nan 0.000 0.272 528 P C -0.770 176.758 177.300 0.380 0.000 1.223 528 P CA -0.347 62.963 63.100 0.351 0.000 0.784 528 P CB 0.600 32.514 31.700 0.357 0.000 0.923 529 R N 1.042 121.710 120.500 0.280 0.000 2.490 529 R HA 0.408 4.748 4.340 -0.000 0.000 0.280 529 R C -0.005 176.339 176.300 0.073 0.000 1.077 529 R CA -0.570 55.616 56.100 0.143 0.000 1.065 529 R CB 0.245 30.575 30.300 0.051 0.000 1.003 529 R HN 0.463 nan 8.270 nan 0.000 0.470 530 L N 3.771 124.909 121.223 -0.142 0.000 2.309 530 L HA 0.512 4.852 4.340 -0.000 0.000 0.282 530 L C -0.614 176.032 176.870 -0.373 0.000 1.036 530 L CA -0.411 54.352 54.840 -0.128 0.000 0.806 530 L CB 0.688 42.717 42.059 -0.050 0.000 1.220 530 L HN 0.457 nan 8.230 nan 0.000 0.429 531 F N 0.600 120.557 119.950 0.011 0.000 2.620 531 F HA 0.514 5.041 4.527 -0.000 0.000 0.320 531 F C 0.013 175.885 175.800 0.122 0.000 1.069 531 F CA -0.762 57.294 58.000 0.094 0.000 0.953 531 F CB 1.741 40.806 39.000 0.108 0.000 1.322 531 F HN 0.393 nan 8.300 nan 0.000 0.479 532 H N 1.427 120.641 119.070 0.240 0.000 2.689 532 H HA 0.649 5.205 4.556 -0.000 0.000 0.346 532 H C -1.650 173.680 175.328 0.003 0.000 1.037 532 H CA -0.593 55.527 56.048 0.119 0.000 1.234 532 H CB 1.795 31.594 29.762 0.062 0.000 1.572 532 H HN 0.574 nan 8.280 nan 0.000 0.524 533 V N 2.973 122.635 119.914 -0.420 0.000 3.019 533 V HA 0.588 4.708 4.120 -0.000 0.000 0.317 533 V C -0.463 175.187 176.094 -0.739 0.000 1.094 533 V CA -0.966 60.984 62.300 -0.583 0.000 1.000 533 V CB 2.010 33.252 31.823 -0.969 0.000 1.060 533 V HN 0.770 nan 8.190 nan 0.000 0.443 534 N N 1.120 119.408 118.700 -0.688 0.000 2.571 534 N HA 0.403 5.143 4.740 -0.000 0.000 0.286 534 N C -0.488 174.737 175.510 -0.476 0.000 1.138 534 N CA -0.669 52.063 53.050 -0.530 0.000 0.859 534 N CB 1.173 39.525 38.487 -0.224 0.000 1.414 534 N HN 0.907 nan 8.380 nan 0.000 0.529 535 W N 2.046 122.950 121.300 -0.659 0.000 3.047 535 W HA 0.215 4.875 4.660 -0.000 0.000 0.250 535 W C 0.089 176.071 176.519 -0.895 0.000 1.314 535 W CA -0.382 56.418 57.345 -0.908 0.000 1.540 535 W CB 0.208 28.805 29.460 -1.438 0.000 1.127 535 W HN 0.430 nan 8.180 nan 0.000 0.679 536 F N 0.237 120.169 119.950 -0.030 0.000 2.735 536 F HA 0.304 4.831 4.527 -0.000 0.000 0.304 536 F C 0.734 176.648 175.800 0.191 0.000 1.119 536 F CA -0.632 57.390 58.000 0.038 0.000 1.280 536 F CB -0.643 38.365 39.000 0.013 0.000 0.994 536 F HN -0.360 nan 8.300 nan 0.000 0.520 537 L N 1.959 123.292 121.223 0.184 0.000 2.525 537 L HA 0.129 4.469 4.340 -0.000 0.000 0.278 537 L C 0.503 177.494 176.870 0.201 0.000 1.218 537 L CA 0.514 55.416 54.840 0.104 0.000 0.878 537 L CB 0.416 42.456 42.059 -0.031 0.000 1.127 537 L HN 0.218 nan 8.230 nan 0.000 0.492 538 R N 1.173 121.726 120.500 0.089 0.000 2.832 538 R HA 0.317 4.657 4.340 -0.000 0.000 0.271 538 R C -0.849 175.441 176.300 -0.016 0.000 0.996 538 R CA -0.964 55.151 56.100 0.024 0.000 0.977 538 R CB 1.475 31.739 30.300 -0.059 0.000 1.168 538 R HN 0.621 nan 8.270 nan 0.000 0.482 539 D N -0.368 120.017 120.400 -0.026 0.000 2.433 539 D HA -0.061 4.579 4.640 -0.000 0.000 0.255 539 D C 0.400 176.674 176.300 -0.043 0.000 1.226 539 D CA -0.568 53.414 54.000 -0.031 0.000 1.015 539 D CB 0.269 41.057 40.800 -0.020 0.000 1.091 539 D HN 0.625 nan 8.370 nan 0.000 0.527 540 N N -0.788 117.890 118.700 -0.036 0.000 2.571 540 N HA -0.124 4.616 4.740 -0.000 0.000 0.189 540 N C 0.383 175.870 175.510 -0.038 0.000 1.154 540 N CA 0.225 53.254 53.050 -0.036 0.000 0.907 540 N CB -0.031 38.439 38.487 -0.028 0.000 0.977 540 N HN 0.484 nan 8.380 nan 0.000 0.449 541 E N -0.080 120.095 120.200 -0.043 0.000 2.481 541 E HA 0.090 4.440 4.350 -0.000 0.000 0.198 541 E C 0.832 177.390 176.600 -0.069 0.000 1.027 541 E CA 0.152 56.524 56.400 -0.047 0.000 0.900 541 E CB 0.544 30.221 29.700 -0.038 0.000 0.993 541 E HN 0.577 nan 8.360 nan 0.000 0.482 542 G N 2.363 111.110 108.800 -0.089 0.000 2.176 542 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.232 542 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.232 542 G C 0.299 175.065 174.900 -0.223 0.000 0.986 542 G CA -0.232 44.783 45.100 -0.142 0.000 0.643 542 G HN 0.132 nan 8.290 nan 0.000 0.522 543 R N -0.445 119.960 120.500 -0.158 0.000 2.641 543 R HA 0.464 4.804 4.340 -0.000 0.000 0.269 543 R C -0.120 176.093 176.300 -0.146 0.000 1.074 543 R CA -0.376 55.627 56.100 -0.162 0.000 1.133 543 R CB 0.284 30.553 30.300 -0.052 0.000 1.029 543 R HN 0.071 nan 8.270 nan 0.000 0.488 544 F N 1.186 121.159 119.950 0.037 0.000 2.506 544 F HA -0.006 4.521 4.527 -0.000 0.000 0.371 544 F C 1.558 177.374 175.800 0.027 0.000 1.078 544 F CA -0.307 57.720 58.000 0.045 0.000 1.195 544 F CB 0.558 39.593 39.000 0.058 0.000 1.099 544 F HN 0.268 nan 8.300 nan 0.000 0.548 545 V N 3.573 123.628 119.914 0.235 0.000 2.515 545 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 545 V C 0.602 176.811 176.094 0.192 0.000 1.058 545 V CA 1.004 63.392 62.300 0.146 0.000 1.064 545 V CB -0.400 31.473 31.823 0.084 0.000 0.675 545 V HN 0.702 nan 8.190 nan 0.000 0.461 546 W N 2.390 123.665 121.300 -0.042 0.000 2.429 546 W HA 0.324 4.984 4.660 -0.000 0.000 0.314 546 W C -1.893 174.539 176.519 -0.145 0.000 1.062 546 W CA -2.155 55.113 57.345 -0.128 0.000 1.211 546 W CB 2.171 31.523 29.460 -0.179 0.000 1.305 546 W HN 0.125 nan 8.180 nan 0.000 0.476 547 P HA -0.029 nan 4.420 nan 0.000 0.222 547 P C 1.007 177.988 177.300 -0.532 0.000 1.147 547 P CA 1.724 64.519 63.100 -0.508 0.000 0.790 547 P CB 0.407 31.780 31.700 -0.546 0.000 0.780 548 G N -0.413 107.767 108.800 -1.034 0.000 2.601 548 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.261 548 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.261 548 G C 0.060 174.638 174.900 -0.536 0.000 1.289 548 G CA -0.096 44.504 45.100 -0.834 0.000 0.920 548 G HN 0.168 nan 8.290 nan 0.000 0.571 549 F N -2.097 117.575 119.950 -0.463 0.000 2.512 549 F HA -0.284 4.243 4.527 -0.000 0.000 0.290 549 F C 2.699 178.291 175.800 -0.346 0.000 1.459 549 F CA 2.718 60.516 58.000 -0.337 0.000 1.366 549 F CB -1.734 37.122 39.000 -0.240 0.000 3.242 549 F HN 1.685 nan 8.300 nan 0.000 0.190 550 G N -0.914 107.821 108.800 -0.108 0.000 2.485 550 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.221 550 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.221 550 G C 1.107 175.805 174.900 -0.337 0.000 1.115 550 G CA 1.376 46.328 45.100 -0.247 0.000 0.751 550 G HN 0.727 nan 8.290 nan 0.000 0.567 551 H N 0.685 119.603 119.070 -0.254 0.000 2.491 551 H HA -0.009 4.547 4.556 -0.000 0.000 0.290 551 H C 2.157 177.399 175.328 -0.143 0.000 1.050 551 H CA 1.011 56.870 56.048 -0.316 0.000 1.309 551 H CB -0.011 29.353 29.762 -0.663 0.000 1.392 551 H HN 0.265 nan 8.280 nan 0.000 0.554 552 N N 1.105 119.701 118.700 -0.173 0.000 2.430 552 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 552 N C 1.934 177.364 175.510 -0.132 0.000 1.032 552 N CA 0.825 53.708 53.050 -0.278 0.000 0.893 552 N CB -0.169 37.822 38.487 -0.827 0.000 0.957 552 N HN 0.350 nan 8.380 nan 0.000 0.442 553 A N 1.179 123.924 122.820 -0.126 0.000 2.019 553 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 553 A C 2.230 179.678 177.584 -0.226 0.000 1.164 553 A CA 0.967 52.903 52.037 -0.169 0.000 0.644 553 A CB -0.303 18.596 19.000 -0.168 0.000 0.805 553 A HN 0.240 nan 8.150 nan 0.000 0.449 554 R N -0.825 119.639 120.500 -0.059 0.000 2.096 554 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 554 R C 1.917 178.227 176.300 0.016 0.000 1.127 554 R CA 1.423 57.520 56.100 -0.004 0.000 0.968 554 R CB -0.445 29.997 30.300 0.237 0.000 0.861 554 R HN 0.391 nan 8.270 nan 0.000 0.440 555 V N 1.175 121.126 119.914 0.063 0.000 2.379 555 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 555 V C 2.210 178.362 176.094 0.097 0.000 1.044 555 V CA 1.427 63.786 62.300 0.099 0.000 1.036 555 V CB -0.347 31.563 31.823 0.145 0.000 0.664 555 V HN 0.277 nan 8.190 nan 0.000 0.453 556 L N 0.213 121.434 121.223 -0.003 0.000 2.083 556 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 556 L C 2.752 179.519 176.870 -0.173 0.000 1.083 556 L CA 1.479 56.287 54.840 -0.054 0.000 0.752 556 L CB -0.874 41.160 42.059 -0.042 0.000 0.899 556 L HN 0.381 nan 8.230 nan 0.000 0.433 557 A N -0.315 122.217 122.820 -0.480 0.000 1.908 557 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 557 A C 2.012 179.525 177.584 -0.118 0.000 1.181 557 A CA 1.710 53.240 52.037 -0.845 0.000 0.627 557 A CB -0.992 17.259 19.000 -1.249 0.000 0.818 557 A HN 0.623 nan 8.150 nan 0.000 0.445 558 W N 0.684 121.903 121.300 -0.134 0.000 2.379 558 W HA -0.148 4.512 4.660 -0.000 0.000 0.307 558 W C 1.806 178.337 176.519 0.021 0.000 1.200 558 W CA 1.870 59.214 57.345 -0.002 0.000 1.297 558 W CB -0.302 29.171 29.460 0.022 0.000 1.140 558 W HN 0.294 nan 8.180 nan 0.000 0.507 559 I N -0.099 120.442 120.570 -0.048 0.000 2.151 559 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 559 I C 2.425 178.391 176.117 -0.253 0.000 1.080 559 I CA 1.821 62.859 61.300 -0.437 0.000 1.339 559 I CB -0.938 36.699 38.000 -0.605 0.000 1.039 559 I HN -0.001 nan 8.210 nan 0.000 0.409 560 F N 1.707 121.551 119.950 -0.177 0.000 2.095 560 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 560 F C 2.377 178.168 175.800 -0.015 0.000 1.104 560 F CA 1.889 59.884 58.000 -0.009 0.000 1.232 560 F CB -0.795 38.322 39.000 0.194 0.000 0.987 560 F HN -0.001 nan 8.300 nan 0.000 0.475 561 G N 0.150 109.075 108.800 0.208 0.000 2.418 561 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 561 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 561 G C 1.824 176.639 174.900 -0.142 0.000 1.158 561 G CA 0.508 45.652 45.100 0.073 0.000 0.771 561 G HN 0.155 nan 8.290 nan 0.000 0.545 562 R N 0.289 120.578 120.500 -0.352 0.000 2.091 562 R HA 0.039 4.379 4.340 -0.000 0.000 0.238 562 R C 2.586 178.794 176.300 -0.154 0.000 1.136 562 R CA 0.718 56.608 56.100 -0.349 0.000 0.959 562 R CB -0.902 29.092 30.300 -0.510 0.000 0.856 562 R HN 0.462 nan 8.270 nan 0.000 0.437 563 I N 1.145 121.645 120.570 -0.115 0.000 2.264 563 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 563 I C 2.014 178.059 176.117 -0.120 0.000 1.111 563 I CA 1.386 62.629 61.300 -0.095 0.000 1.382 563 I CB -0.248 37.643 38.000 -0.182 0.000 1.060 563 I HN 0.207 nan 8.210 nan 0.000 0.418 564 Q N 0.265 119.982 119.800 -0.138 0.000 2.482 564 Q HA 0.028 4.368 4.340 -0.000 0.000 0.209 564 Q C 1.468 177.434 176.000 -0.058 0.000 0.961 564 Q CA 0.687 56.437 55.803 -0.088 0.000 0.945 564 Q CB 0.308 29.028 28.738 -0.030 0.000 1.012 564 Q HN 0.691 nan 8.270 nan 0.000 0.515 565 G N 1.289 110.042 108.800 -0.078 0.000 2.157 565 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.239 565 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.239 565 G C -0.095 174.756 174.900 -0.082 0.000 0.982 565 G CA -0.396 44.658 45.100 -0.076 0.000 0.650 565 G HN 0.210 nan 8.290 nan 0.000 0.527 566 R N 0.601 121.053 120.500 -0.080 0.000 2.570 566 R HA 0.207 4.547 4.340 -0.000 0.000 0.277 566 R C 0.014 176.263 176.300 -0.085 0.000 1.039 566 R CA 0.180 56.246 56.100 -0.057 0.000 1.065 566 R CB 0.378 30.663 30.300 -0.025 0.000 0.964 566 R HN 0.212 nan 8.270 nan 0.000 0.428 567 D N 2.308 122.682 120.400 -0.044 0.000 2.662 567 D HA -0.028 4.612 4.640 -0.000 0.000 0.228 567 D C 0.365 176.675 176.300 0.016 0.000 1.093 567 D CA 0.132 54.109 54.000 -0.039 0.000 1.075 567 D CB 0.032 40.827 40.800 -0.008 0.000 1.122 567 D HN 0.565 nan 8.370 nan 0.000 0.475 568 T N -1.200 113.372 114.554 0.029 0.000 3.200 568 T HA 0.594 4.944 4.350 -0.000 0.000 0.284 568 T C 0.367 175.312 174.700 0.408 0.000 1.009 568 T CA -0.369 61.849 62.100 0.198 0.000 0.907 568 T CB 0.461 69.454 68.868 0.208 0.000 1.120 568 T HN 0.212 nan 8.240 nan 0.000 0.534 569 A N 2.052 125.030 122.820 0.264 0.000 2.380 569 A HA 0.893 5.213 4.320 -0.000 0.000 0.315 569 A C -0.322 177.509 177.584 0.411 0.000 1.101 569 A CA -1.396 50.894 52.037 0.421 0.000 0.771 569 A CB 1.455 20.679 19.000 0.373 0.000 1.287 569 A HN 0.613 nan 8.150 nan 0.000 0.436 570 R N 1.088 121.879 120.500 0.484 0.000 2.740 570 R HA 0.756 5.096 4.340 -0.000 0.000 0.282 570 R C -3.103 173.483 176.300 0.478 0.000 0.969 570 R CA -1.872 54.499 56.100 0.450 0.000 0.918 570 R CB 2.032 32.461 30.300 0.216 0.000 1.175 570 R HN 0.431 nan 8.270 nan 0.000 0.464 571 P HA 0.142 nan 4.420 nan 0.000 0.282 571 P C -0.798 176.516 177.300 0.022 0.000 1.249 571 P CA -0.193 62.878 63.100 -0.047 0.000 0.806 571 P CB 1.732 33.255 31.700 -0.295 0.000 0.984 572 T N -1.947 112.621 114.554 0.023 0.000 2.838 572 T HA 0.497 4.847 4.350 -0.000 0.000 0.292 572 T C -2.305 172.395 174.700 0.000 0.000 1.113 572 T CA -2.083 60.020 62.100 0.005 0.000 1.008 572 T CB 0.944 69.811 68.868 -0.003 0.000 1.259 572 T HN 0.001 nan 8.240 nan 0.000 0.520 573 P HA 0.099 nan 4.420 nan 0.000 0.225 573 P C 1.250 178.447 177.300 -0.171 0.000 1.148 573 P CA 0.677 63.714 63.100 -0.105 0.000 0.779 573 P CB -0.276 31.334 31.700 -0.150 0.000 0.780 574 I N -6.691 113.726 120.570 -0.256 0.000 4.082 574 I HA 0.540 4.710 4.170 -0.000 0.000 0.337 574 I C 0.729 176.677 176.117 -0.280 0.000 1.352 574 I CA -0.127 60.968 61.300 -0.341 0.000 1.097 574 I CB 0.474 38.089 38.000 -0.642 0.000 1.048 574 I HN -0.086 nan 8.210 nan 0.000 0.393 575 G N 0.425 108.949 108.800 -0.460 0.000 2.340 575 G HA2 0.036 3.996 3.960 -0.000 0.000 0.282 575 G HA3 0.036 3.996 3.960 -0.000 0.000 0.282 575 G C -2.092 172.525 174.900 -0.471 0.000 1.312 575 G CA -1.009 43.509 45.100 -0.969 0.000 0.942 575 G HN 0.238 nan 8.290 nan 0.000 0.495 576 W N 0.436 121.624 121.300 -0.187 0.000 2.272 576 W HA 0.528 5.188 4.660 -0.000 0.000 0.318 576 W C 0.841 177.456 176.519 0.160 0.000 1.255 576 W CA 0.071 57.498 57.345 0.136 0.000 1.200 576 W CB 1.539 31.157 29.460 0.263 0.000 1.170 576 W HN 0.614 nan 8.180 nan 0.000 0.549 577 V N 1.240 121.365 119.914 0.352 0.000 2.960 577 V HA 0.674 4.794 4.120 -0.000 0.000 0.315 577 V C -2.464 173.546 176.094 -0.140 0.000 1.087 577 V CA -3.507 58.800 62.300 0.011 0.000 0.982 577 V CB 1.621 33.356 31.823 -0.146 0.000 1.039 577 V HN 0.304 nan 8.190 nan 0.000 0.437 578 P HA 0.192 nan 4.420 nan 0.000 0.268 578 P C -0.686 176.459 177.300 -0.259 0.000 1.204 578 P CA -0.007 62.683 63.100 -0.683 0.000 0.768 578 P CB 0.316 31.181 31.700 -1.392 0.000 0.842 579 K N 1.908 122.298 120.400 -0.018 0.000 2.382 579 K HA 0.029 4.349 4.320 -0.000 0.000 0.275 579 K C 0.641 177.107 176.600 -0.222 0.000 1.009 579 K CA -0.097 56.146 56.287 -0.074 0.000 0.970 579 K CB 0.367 32.878 32.500 0.018 0.000 0.934 579 K HN 0.490 nan 8.250 nan 0.000 0.479 580 E N 0.821 120.668 120.200 -0.589 0.000 2.493 580 E HA -0.057 4.293 4.350 -0.000 0.000 0.255 580 E C 0.663 177.082 176.600 -0.301 0.000 0.999 580 E CA 0.816 56.726 56.400 -0.817 0.000 0.934 580 E CB 0.066 29.065 29.700 -1.170 0.000 0.940 580 E HN 0.789 nan 8.360 nan 0.000 0.473 581 G N 4.508 113.224 108.800 -0.140 0.000 2.218 581 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 581 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 581 G C 0.561 175.481 174.900 0.033 0.000 0.994 581 G CA 0.195 45.272 45.100 -0.038 0.000 0.637 581 G HN 0.657 nan 8.290 nan 0.000 0.505 582 D N -0.349 120.084 120.400 0.056 0.000 2.398 582 D HA 0.246 4.886 4.640 -0.000 0.000 0.210 582 D C 0.505 176.934 176.300 0.214 0.000 1.094 582 D CA 0.023 54.125 54.000 0.170 0.000 0.839 582 D CB 0.912 41.864 40.800 0.253 0.000 0.963 582 D HN 0.386 nan 8.370 nan 0.000 0.506 583 L N 1.750 123.034 121.223 0.102 0.000 2.287 583 L HA 0.278 4.618 4.340 -0.000 0.000 0.287 583 L C -0.478 176.475 176.870 0.139 0.000 1.022 583 L CA -0.533 54.372 54.840 0.107 0.000 0.814 583 L CB 1.447 43.544 42.059 0.062 0.000 1.217 583 L HN -0.303 nan 8.230 nan 0.000 0.420 584 D N 5.147 125.634 120.400 0.146 0.000 2.344 584 D HA 0.137 4.777 4.640 -0.000 0.000 0.253 584 D C 0.271 176.667 176.300 0.161 0.000 1.255 584 D CA 0.279 54.359 54.000 0.135 0.000 0.894 584 D CB 0.617 41.486 40.800 0.116 0.000 1.067 584 D HN 0.637 nan 8.370 nan 0.000 0.492 585 L N 3.085 124.397 121.223 0.148 0.000 2.910 585 L HA 0.321 4.661 4.340 -0.000 0.000 0.252 585 L C 1.368 178.289 176.870 0.084 0.000 1.195 585 L CA -0.609 54.319 54.840 0.147 0.000 1.003 585 L CB 0.661 42.829 42.059 0.182 0.000 1.328 585 L HN 0.314 nan 8.230 nan 0.000 0.540 586 G N -0.488 108.359 108.800 0.078 0.000 2.380 586 G HA2 0.337 4.297 3.960 -0.000 0.000 0.242 586 G HA3 0.337 4.297 3.960 -0.000 0.000 0.242 586 G C 1.114 176.040 174.900 0.042 0.000 1.298 586 G CA 0.581 45.715 45.100 0.057 0.000 0.878 586 G HN 0.436 nan 8.290 nan 0.000 0.542 587 G N 0.218 109.033 108.800 0.025 0.000 2.162 587 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.260 587 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.260 587 G C 0.276 175.157 174.900 -0.031 0.000 0.976 587 G CA 0.425 45.532 45.100 0.011 0.000 0.655 587 G HN 0.902 nan 8.290 nan 0.000 0.533 588 L N 0.998 122.193 121.223 -0.046 0.000 2.679 588 L HA 0.446 4.786 4.340 -0.000 0.000 0.238 588 L C -1.023 175.823 176.870 -0.041 0.000 1.330 588 L CA -1.864 52.914 54.840 -0.103 0.000 0.935 588 L CB 1.358 43.322 42.059 -0.158 0.000 1.243 588 L HN -0.108 nan 8.230 nan 0.000 0.484 589 P HA 0.010 nan 4.420 nan 0.000 0.225 589 P C 1.461 178.759 177.300 -0.002 0.000 1.156 589 P CA 0.620 63.717 63.100 -0.005 0.000 0.787 589 P CB 0.456 32.153 31.700 -0.005 0.000 0.802 590 G N -0.608 108.180 108.800 -0.020 0.000 2.813 590 G HA2 0.041 4.001 3.960 -0.000 0.000 0.209 590 G HA3 0.041 4.001 3.960 -0.000 0.000 0.209 590 G C 0.241 175.143 174.900 0.003 0.000 1.150 590 G CA 0.103 45.197 45.100 -0.012 0.000 0.785 590 G HN 0.175 nan 8.290 nan 0.000 0.535 591 V N 1.609 121.528 119.914 0.007 0.000 2.370 591 V HA 0.322 4.441 4.120 -0.000 0.000 0.279 591 V C -0.998 175.153 176.094 0.094 0.000 1.029 591 V CA -0.942 61.388 62.300 0.050 0.000 0.870 591 V CB 1.551 33.403 31.823 0.049 0.000 0.984 591 V HN 0.026 nan 8.190 nan 0.000 0.451 592 D N 1.940 122.402 120.400 0.103 0.000 2.185 592 D HA 0.226 4.866 4.640 -0.000 0.000 0.247 592 D C 0.476 176.887 176.300 0.186 0.000 1.027 592 D CA -0.406 53.676 54.000 0.137 0.000 0.861 592 D CB 1.778 42.641 40.800 0.106 0.000 1.202 592 D HN 0.570 nan 8.370 nan 0.000 0.453 593 Y N 1.959 122.327 120.300 0.115 0.000 2.165 593 Y HA -0.281 4.269 4.550 -0.000 0.000 0.286 593 Y C 2.007 178.037 175.900 0.216 0.000 1.155 593 Y CA 1.914 60.123 58.100 0.181 0.000 1.164 593 Y CB 0.121 38.656 38.460 0.124 0.000 0.978 593 Y HN 0.297 nan 8.280 nan 0.000 0.513 594 S N 0.187 116.052 115.700 0.274 0.000 2.382 594 S HA -0.216 4.254 4.470 -0.000 0.000 0.228 594 S C 1.723 176.345 174.600 0.037 0.000 1.027 594 S CA 1.341 59.640 58.200 0.165 0.000 0.991 594 S CB -0.263 63.033 63.200 0.160 0.000 0.823 594 S HN 0.549 nan 8.310 nan 0.000 0.469 595 Q N 0.700 120.511 119.800 0.019 0.000 2.291 595 Q HA 0.124 4.464 4.340 -0.000 0.000 0.205 595 Q C 1.930 177.847 176.000 -0.137 0.000 0.970 595 Q CA 0.758 56.540 55.803 -0.034 0.000 0.876 595 Q CB -0.421 28.317 28.738 0.000 0.000 0.935 595 Q HN 0.523 nan 8.270 nan 0.000 0.455 596 L N -1.525 119.555 121.223 -0.238 0.000 2.375 596 L HA 0.096 4.436 4.340 -0.000 0.000 0.215 596 L C 0.255 176.514 176.870 -1.018 0.000 1.108 596 L CA 0.235 54.718 54.840 -0.595 0.000 0.830 596 L CB 0.168 41.806 42.059 -0.701 0.000 0.959 596 L HN -0.002 nan 8.230 nan 0.000 0.457 597 F N 0.847 120.580 119.950 -0.361 0.000 2.530 597 F HA 0.334 4.861 4.527 -0.000 0.000 0.318 597 F C -2.026 173.682 175.800 -0.153 0.000 1.356 597 F CA -2.302 55.514 58.000 -0.307 0.000 1.135 597 F CB -0.009 38.696 39.000 -0.492 0.000 1.315 597 F HN -0.140 nan 8.300 nan 0.000 0.549 598 P HA 0.141 nan 4.420 nan 0.000 0.269 598 P C -0.377 176.973 177.300 0.084 0.000 1.215 598 P CA -0.177 62.915 63.100 -0.012 0.000 0.780 598 P CB 1.398 33.030 31.700 -0.113 0.000 0.898 599 M N 1.852 121.523 119.600 0.117 0.000 2.151 599 M HA 0.198 4.678 4.480 -0.000 0.000 0.229 599 M C -1.122 175.303 176.300 0.209 0.000 1.029 599 M CA -0.128 55.291 55.300 0.198 0.000 0.765 599 M CB 0.462 33.145 32.600 0.138 0.000 1.969 599 M HN 0.099 nan 8.290 nan 0.000 0.352 600 E N 1.647 122.009 120.200 0.270 0.000 2.113 600 E HA 0.243 4.593 4.350 -0.000 0.000 0.273 600 E C 0.542 177.342 176.600 0.334 0.000 0.924 600 E CA -0.247 56.286 56.400 0.222 0.000 0.764 600 E CB 1.716 31.490 29.700 0.124 0.000 1.104 600 E HN 0.526 nan 8.360 nan 0.000 0.406 601 K N 2.651 123.195 120.400 0.241 0.000 2.044 601 K HA -0.175 4.145 4.320 -0.000 0.000 0.210 601 K C 1.711 178.435 176.600 0.206 0.000 1.049 601 K CA 1.862 58.284 56.287 0.226 0.000 0.927 601 K CB -0.227 32.354 32.500 0.135 0.000 0.713 601 K HN 0.572 nan 8.250 nan 0.000 0.443 602 G N 0.419 109.306 108.800 0.145 0.000 2.422 602 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 602 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 602 G C 1.340 176.276 174.900 0.059 0.000 1.146 602 G CA 0.702 45.855 45.100 0.088 0.000 0.769 602 G HN 0.427 nan 8.290 nan 0.000 0.547 603 F N 0.187 120.100 119.950 -0.061 0.000 2.095 603 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 603 F C 2.312 177.939 175.800 -0.288 0.000 1.104 603 F CA 1.739 59.602 58.000 -0.228 0.000 1.232 603 F CB -0.167 38.611 39.000 -0.369 0.000 0.987 603 F HN 0.227 nan 8.300 nan 0.000 0.475 604 W N 0.833 122.162 121.300 0.049 0.000 2.476 604 W HA -0.007 4.653 4.660 0.000 0.000 0.281 604 W C 2.377 178.848 176.519 -0.081 0.000 1.230 604 W CA 0.962 58.288 57.345 -0.031 0.000 1.287 604 W CB -0.407 29.123 29.460 0.118 0.000 1.108 604 W HN 0.025 nan 8.180 nan 0.000 0.567 605 E N 0.389 120.670 120.200 0.135 0.000 2.058 605 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 605 E C 1.843 178.427 176.600 -0.026 0.000 0.997 605 E CA 1.634 58.071 56.400 0.062 0.000 0.801 605 E CB -0.160 29.570 29.700 0.050 0.000 0.746 605 E HN 0.147 nan 8.360 nan 0.000 0.450 606 E N 1.192 121.315 120.200 -0.127 0.000 2.072 606 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 606 E C 1.839 178.288 176.600 -0.252 0.000 0.985 606 E CA 1.398 57.681 56.400 -0.194 0.000 0.801 606 E CB -0.054 29.492 29.700 -0.257 0.000 0.750 606 E HN 0.076 nan 8.360 nan 0.000 0.452 607 E N -0.410 119.545 120.200 -0.408 0.000 2.058 607 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 607 E C 2.016 178.570 176.600 -0.076 0.000 0.997 607 E CA 1.623 57.802 56.400 -0.368 0.000 0.801 607 E CB -0.636 28.736 29.700 -0.546 0.000 0.746 607 E HN 0.394 nan 8.360 nan 0.000 0.450 608 C N 0.231 119.557 119.300 0.044 0.000 2.429 608 C HA -0.053 4.407 4.460 -0.000 0.000 0.277 608 C C 2.571 177.595 174.990 0.057 0.000 1.262 608 C CA 0.867 59.951 59.018 0.110 0.000 1.733 608 C CB -0.956 26.863 27.740 0.132 0.000 2.010 608 C HN 0.444 nan 8.230 nan 0.000 0.483 609 R N 0.295 120.802 120.500 0.013 0.000 2.083 609 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 609 R C 2.461 178.762 176.300 0.001 0.000 1.137 609 R CA 1.342 57.445 56.100 0.006 0.000 0.951 609 R CB -0.392 29.899 30.300 -0.015 0.000 0.851 609 R HN 0.645 nan 8.270 nan 0.000 0.434 610 Q N 0.604 120.387 119.800 -0.028 0.000 2.061 610 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 610 Q C 2.366 178.374 176.000 0.014 0.000 0.984 610 Q CA 1.360 57.158 55.803 -0.010 0.000 0.846 610 Q CB -0.243 28.462 28.738 -0.056 0.000 0.902 610 Q HN 0.403 nan 8.270 nan 0.000 0.421 611 L N 0.066 121.278 121.223 -0.018 0.000 2.046 611 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 611 L C 2.769 179.550 176.870 -0.148 0.000 1.077 611 L CA 1.122 55.873 54.840 -0.149 0.000 0.747 611 L CB -0.397 41.613 42.059 -0.082 0.000 0.896 611 L HN 0.183 nan 8.230 nan 0.000 0.432 612 R N 0.042 120.568 120.500 0.043 0.000 2.083 612 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 612 R C 2.304 178.651 176.300 0.079 0.000 1.137 612 R CA 1.732 57.902 56.100 0.117 0.000 0.951 612 R CB -0.118 30.242 30.300 0.101 0.000 0.851 612 R HN 0.333 nan 8.270 nan 0.000 0.434 613 E N -0.804 119.421 120.200 0.043 0.000 2.072 613 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 613 E C 1.743 178.356 176.600 0.023 0.000 0.985 613 E CA 1.190 57.611 56.400 0.034 0.000 0.801 613 E CB -0.173 29.545 29.700 0.029 0.000 0.750 613 E HN 0.366 nan 8.360 nan 0.000 0.452 614 Y N 0.424 120.625 120.300 -0.165 0.000 2.097 614 Y HA -0.312 4.238 4.550 -0.000 0.000 0.282 614 Y C 1.852 177.706 175.900 -0.077 0.000 1.152 614 Y CA 2.013 59.942 58.100 -0.286 0.000 1.136 614 Y CB -0.795 37.212 38.460 -0.755 0.000 0.975 614 Y HN 0.128 nan 8.280 nan 0.000 0.498 615 Y N -0.445 119.798 120.300 -0.094 0.000 2.128 615 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 615 Y C 2.755 178.623 175.900 -0.054 0.000 1.154 615 Y CA 0.525 58.560 58.100 -0.107 0.000 1.149 615 Y CB -0.837 37.594 38.460 -0.047 0.000 0.976 615 Y HN 0.257 nan 8.280 nan 0.000 0.505 616 G N -0.094 108.779 108.800 0.122 0.000 2.459 616 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 616 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 616 G C 1.484 176.388 174.900 0.006 0.000 1.183 616 G CA 1.069 46.206 45.100 0.061 0.000 0.776 616 G HN 0.229 nan 8.290 nan 0.000 0.552 617 E N 0.883 121.062 120.200 -0.035 0.000 2.072 617 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 617 E C 2.295 178.824 176.600 -0.118 0.000 0.985 617 E CA 1.204 57.565 56.400 -0.064 0.000 0.801 617 E CB -0.237 29.429 29.700 -0.056 0.000 0.750 617 E HN 0.559 nan 8.360 nan 0.000 0.452 618 N N -1.438 117.136 118.700 -0.211 0.000 2.414 618 N HA 0.074 4.814 4.740 -0.000 0.000 0.177 618 N C 1.294 176.550 175.510 -0.423 0.000 1.062 618 N CA 0.186 53.027 53.050 -0.348 0.000 0.890 618 N CB 0.102 38.260 38.487 -0.549 0.000 1.070 618 N HN 0.005 nan 8.380 nan 0.000 0.454 619 F N 0.499 120.304 119.950 -0.243 0.000 2.437 619 F HA 0.353 4.880 4.527 -0.000 0.000 0.288 619 F C 2.004 177.734 175.800 -0.116 0.000 1.085 619 F CA 0.529 58.430 58.000 -0.166 0.000 1.430 619 F CB -0.447 38.472 39.000 -0.134 0.000 1.120 619 F HN 0.022 nan 8.300 nan 0.000 0.556 620 G N 1.175 110.025 108.800 0.084 0.000 2.634 620 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.309 620 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.309 620 G C 1.373 176.295 174.900 0.037 0.000 1.265 620 G CA 0.712 45.831 45.100 0.032 0.000 0.998 620 G HN 0.637 nan 8.290 nan 0.000 0.551 621 A N -0.979 121.847 122.820 0.010 0.000 2.121 621 A HA 0.144 4.464 4.320 -0.000 0.000 0.218 621 A C 1.854 179.447 177.584 0.014 0.000 1.154 621 A CA 2.292 54.332 52.037 0.005 0.000 0.679 621 A CB -0.283 18.712 19.000 -0.008 0.000 0.795 621 A HN 0.557 nan 8.150 nan 0.000 0.458 622 D N -0.986 119.435 120.400 0.035 0.000 2.349 622 D HA 0.077 4.717 4.640 -0.000 0.000 0.215 622 D C 0.322 176.683 176.300 0.102 0.000 1.016 622 D CA 0.030 54.064 54.000 0.056 0.000 0.870 622 D CB -0.097 40.724 40.800 0.035 0.000 0.917 622 D HN 0.373 nan 8.370 nan 0.000 0.524 623 L N 2.317 123.589 121.223 0.082 0.000 2.477 623 L HA 0.191 4.531 4.340 -0.000 0.000 0.272 623 L C -2.247 174.572 176.870 -0.086 0.000 1.157 623 L CA -1.114 53.683 54.840 -0.072 0.000 0.889 623 L CB 0.377 42.326 42.059 -0.184 0.000 1.158 623 L HN -0.253 nan 8.230 nan 0.000 0.473 624 P HA 0.086 nan 4.420 nan 0.000 0.268 624 P C -0.009 177.246 177.300 -0.075 0.000 1.204 624 P CA -0.263 62.806 63.100 -0.052 0.000 0.768 624 P CB 0.658 32.345 31.700 -0.022 0.000 0.842 625 R N 3.487 123.963 120.500 -0.040 0.000 2.103 625 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 625 R C 1.114 177.388 176.300 -0.043 0.000 1.142 625 R CA 2.059 58.135 56.100 -0.040 0.000 0.960 625 R CB -1.284 29.005 30.300 -0.019 0.000 0.858 625 R HN 0.396 nan 8.270 nan 0.000 0.439 626 D N -0.545 119.845 120.400 -0.017 0.000 2.182 626 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 626 D C 1.839 178.128 176.300 -0.019 0.000 0.986 626 D CA 1.416 55.417 54.000 0.002 0.000 0.847 626 D CB -0.053 40.781 40.800 0.055 0.000 0.942 626 D HN 0.164 nan 8.370 nan 0.000 0.467 627 V N 0.726 120.606 119.914 -0.057 0.000 2.323 627 V HA -0.222 3.898 4.120 -0.000 0.000 0.244 627 V C 2.310 178.329 176.094 -0.125 0.000 1.041 627 V CA 1.268 63.521 62.300 -0.078 0.000 1.025 627 V CB -0.359 31.308 31.823 -0.260 0.000 0.656 627 V HN 0.139 nan 8.190 nan 0.000 0.451 628 M N 1.103 120.604 119.600 -0.165 0.000 2.117 628 M HA -0.071 4.409 4.480 -0.000 0.000 0.262 628 M C 2.052 178.294 176.300 -0.096 0.000 1.065 628 M CA 2.100 57.335 55.300 -0.107 0.000 1.114 628 M CB -0.865 31.686 32.600 -0.083 0.000 1.361 628 M HN 0.261 nan 8.290 nan 0.000 0.408 629 A N -0.347 122.416 122.820 -0.094 0.000 1.940 629 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 629 A C 2.030 179.515 177.584 -0.166 0.000 1.176 629 A CA 1.840 53.818 52.037 -0.097 0.000 0.631 629 A CB -0.743 18.220 19.000 -0.062 0.000 0.814 629 A HN 0.569 nan 8.150 nan 0.000 0.446 630 E N -0.591 119.462 120.200 -0.245 0.000 2.107 630 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 630 E C 1.959 178.075 176.600 -0.807 0.000 0.982 630 E CA 0.918 57.027 56.400 -0.486 0.000 0.809 630 E CB -0.468 28.923 29.700 -0.516 0.000 0.756 630 E HN 0.523 nan 8.360 nan 0.000 0.459 631 L N 1.894 122.734 121.223 -0.638 0.000 2.017 631 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 631 L C 1.922 178.700 176.870 -0.154 0.000 1.073 631 L CA 1.875 56.538 54.840 -0.295 0.000 0.745 631 L CB -0.456 41.695 42.059 0.153 0.000 0.894 631 L HN 0.019 nan 8.230 nan 0.000 0.432 632 E N -0.639 119.488 120.200 -0.121 0.000 2.085 632 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 632 E C 2.072 178.607 176.600 -0.108 0.000 0.994 632 E CA 1.071 57.422 56.400 -0.081 0.000 0.801 632 E CB -0.583 29.077 29.700 -0.066 0.000 0.743 632 E HN 0.700 nan 8.360 nan 0.000 0.453 633 G N 1.374 110.075 108.800 -0.165 0.000 2.418 633 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 633 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 633 G C 1.555 176.361 174.900 -0.157 0.000 1.158 633 G CA 0.702 45.701 45.100 -0.169 0.000 0.771 633 G HN 0.166 nan 8.290 nan 0.000 0.545 634 L N 0.687 121.800 121.223 -0.182 0.000 2.046 634 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 634 L C 2.591 179.436 176.870 -0.042 0.000 1.077 634 L CA 2.078 56.856 54.840 -0.103 0.000 0.747 634 L CB -0.661 41.374 42.059 -0.041 0.000 0.896 634 L HN 0.368 nan 8.230 nan 0.000 0.432 635 E N -0.594 119.593 120.200 -0.022 0.000 2.118 635 E HA -0.291 4.059 4.350 -0.000 0.000 0.195 635 E C 2.046 178.639 176.600 -0.012 0.000 0.992 635 E CA 1.418 57.823 56.400 0.009 0.000 0.804 635 E CB -0.105 29.604 29.700 0.015 0.000 0.741 635 E HN 0.659 nan 8.360 nan 0.000 0.458 636 E N 0.884 121.059 120.200 -0.041 0.000 2.072 636 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 636 E C 2.068 178.637 176.600 -0.051 0.000 0.985 636 E CA 0.667 57.038 56.400 -0.047 0.000 0.801 636 E CB 0.155 29.815 29.700 -0.066 0.000 0.750 636 E HN 0.107 nan 8.360 nan 0.000 0.452 637 R N -0.084 120.375 120.500 -0.068 0.000 2.096 637 R HA -0.085 4.254 4.340 -0.000 0.000 0.235 637 R C 2.368 178.642 176.300 -0.045 0.000 1.127 637 R CA 1.190 57.247 56.100 -0.072 0.000 0.968 637 R CB -0.069 30.174 30.300 -0.093 0.000 0.861 637 R HN 0.132 nan 8.270 nan 0.000 0.440 638 V N 0.571 120.471 119.914 -0.022 0.000 2.548 638 V HA -0.167 3.953 4.120 -0.000 0.000 0.249 638 V C 2.205 178.320 176.094 0.036 0.000 1.055 638 V CA 1.400 63.716 62.300 0.026 0.000 1.065 638 V CB -0.461 31.413 31.823 0.085 0.000 0.681 638 V HN 0.250 nan 8.190 nan 0.000 0.462 639 R N 0.055 120.565 120.500 0.017 0.000 2.120 639 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 639 R C 2.329 178.634 176.300 0.008 0.000 1.123 639 R CA 1.430 57.538 56.100 0.014 0.000 0.975 639 R CB -0.182 30.119 30.300 0.001 0.000 0.866 639 R HN 0.388 nan 8.270 nan 0.000 0.446 640 K N 0.334 120.732 120.400 -0.003 0.000 2.418 640 K HA 0.002 4.322 4.320 -0.000 0.000 0.195 640 K C 0.921 177.523 176.600 0.003 0.000 1.035 640 K CA 0.246 56.528 56.287 -0.009 0.000 1.003 640 K CB 0.238 32.721 32.500 -0.028 0.000 0.793 640 K HN 0.137 nan 8.250 nan 0.000 0.494 641 M N 0.000 119.610 119.600 0.017 0.000 2.572 641 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 641 M CA 0.000 55.320 55.300 0.033 0.000 0.988 641 M CB 0.000 32.628 32.600 0.047 0.000 1.302 641 M HN 0.000 nan 8.290 nan 0.000 0.411