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 1r4l_1_A DATA FIRST_RESID 19 DATA SEQUENCE STIEEQAKTF LDKFNHEAED LFYQSSLASW NYNTNITEEN VQNMNNAGDK DATA SEQUENCE WSAFLKEQST LAQMYPLQEI QNLTVKLQLQ ALQQNGSSVL SEDKSKRLNT DATA SEQUENCE ILNTMSTIYS TGKVcNPDNP QEcLLLEPGL NEIMANSLDY NERLWAWESW DATA SEQUENCE RSEVGKQLRP LYEEYVVLKN EMARANHYED YGDYWRGDYE VNGVDGYDYS DATA SEQUENCE RGQLIEDVEH TFEEIKPLYE HLHAYVRAKL MNAYPSYISP IGCLPAHLLG DATA SEQUENCE DMWGRFWTNL YSLTVPFGQK PNIDVTDAMV DQAWDAQRIF KEAEKFFVSV DATA SEQUENCE GLPNMTQGFW ENSMLTDPGN VQKAVcHPTA WDLGKGDFRI LMcTKVTMDD DATA SEQUENCE FLTAHHEMGH IQYDMAYAAQ PFLLRNGANE GFHEAVGEIM SLSAATPKHL DATA SEQUENCE KSIGLLSPDF QEDNETEINF LLKQALTIVG TLPFTYMLEK WRWMVFKGEI DATA SEQUENCE PKDQWMKKWW EMKREIVGVV EPVPHDETYC DPASLFHVSN DYSFIRYYTR DATA SEQUENCE TLYQFQFQEA LcQAAKHEGP LHKcDISNST EAGQKLFNML RLGKSEPWTL DATA SEQUENCE ALENVVGAKN MNVRPLLNYF EPLFTWLKDQ NKNSFVGWST DWSPYAD 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.608 174.600 0.013 0.000 1.055 19 S CA 0.000 58.207 58.200 0.011 0.000 1.107 19 S CB 0.000 63.211 63.200 0.019 0.000 0.593 20 T N 1.660 116.225 114.554 0.017 0.000 2.779 20 T HA 0.052 4.389 4.350 -0.022 0.000 0.348 20 T C 1.276 175.994 174.700 0.030 0.000 1.090 20 T CA 0.257 62.370 62.100 0.021 0.000 1.111 20 T CB -0.018 68.866 68.868 0.026 0.000 1.026 20 T HN 0.420 nan 8.240 nan 0.000 0.547 21 I N 0.400 120.988 120.570 0.030 0.000 3.226 21 I HA 0.062 4.219 4.170 -0.022 0.000 0.277 21 I C 1.998 178.177 176.117 0.104 0.000 1.243 21 I CA 0.744 62.070 61.300 0.043 0.000 1.459 21 I CB -0.427 37.581 38.000 0.013 0.000 1.093 21 I HN 0.713 nan 8.210 nan 0.000 0.453 22 E N 0.921 121.169 120.200 0.081 0.000 2.330 22 E HA -0.108 4.229 4.350 -0.022 0.000 0.210 22 E C 1.130 177.783 176.600 0.088 0.000 1.256 22 E CA 0.230 56.683 56.400 0.087 0.000 1.346 22 E CB 0.203 29.935 29.700 0.053 0.000 1.308 22 E HN 0.290 nan 8.360 nan 0.000 0.441 23 E N -0.398 119.870 120.200 0.113 0.000 2.555 23 E HA 0.009 4.346 4.350 -0.022 0.000 0.209 23 E C 1.122 177.815 176.600 0.155 0.000 0.847 23 E CA 0.331 56.794 56.400 0.105 0.000 1.438 23 E CB 0.070 29.812 29.700 0.071 0.000 1.420 23 E HN 0.224 nan 8.360 nan 0.000 0.755 24 Q N -0.206 119.721 119.800 0.211 0.000 2.436 24 Q HA 0.133 4.460 4.340 -0.022 0.000 0.209 24 Q C 1.444 177.772 176.000 0.547 0.000 0.965 24 Q CA 1.119 57.104 55.803 0.302 0.000 0.910 24 Q CB 0.307 29.149 28.738 0.172 0.000 0.980 24 Q HN 0.310 nan 8.270 nan 0.000 0.491 25 A N 0.742 123.797 122.820 0.393 0.000 2.013 25 A HA 0.036 4.343 4.320 -0.022 0.000 0.204 25 A C 1.594 179.237 177.584 0.097 0.000 1.262 25 A CA 0.072 52.193 52.037 0.141 0.000 0.800 25 A CB 0.172 19.142 19.000 -0.051 0.000 0.909 25 A HN 0.034 nan 8.150 nan 0.000 0.472 26 K N -0.065 120.393 120.400 0.097 0.000 2.589 26 K HA -0.104 4.203 4.320 -0.022 0.000 0.195 26 K C 1.561 178.206 176.600 0.075 0.000 1.040 26 K CA 1.430 57.755 56.287 0.063 0.000 0.950 26 K CB -0.104 32.432 32.500 0.061 0.000 0.781 26 K HN 0.584 nan 8.250 nan 0.000 0.486 27 T N -1.086 113.537 114.554 0.115 0.000 3.182 27 T HA -0.043 4.294 4.350 -0.022 0.000 0.244 27 T C 1.367 176.157 174.700 0.151 0.000 0.981 27 T CA -0.306 61.869 62.100 0.124 0.000 1.182 27 T CB -0.371 68.581 68.868 0.139 0.000 1.043 27 T HN 0.145 nan 8.240 nan 0.000 0.424 28 F N 2.491 122.474 119.950 0.055 0.000 2.176 28 F HA -0.065 4.452 4.527 -0.017 0.000 0.301 28 F C 1.407 177.218 175.800 0.020 0.000 1.071 28 F CA 1.263 59.282 58.000 0.032 0.000 1.289 28 F CB -0.679 38.278 39.000 -0.073 0.000 1.028 28 F HN 0.215 nan 8.300 nan 0.000 0.494 29 L N 0.393 121.436 121.223 -0.300 0.000 2.049 29 L HA -0.107 4.220 4.340 -0.022 0.000 0.203 29 L C 2.286 179.138 176.870 -0.031 0.000 1.074 29 L CA 2.152 56.791 54.840 -0.335 0.000 0.749 29 L CB -1.590 40.350 42.059 -0.199 0.000 0.907 29 L HN 0.151 nan 8.230 nan 0.000 0.439 30 D N -0.624 119.803 120.400 0.046 0.000 2.219 30 D HA -0.192 4.435 4.640 -0.022 0.000 0.205 30 D C 2.091 178.516 176.300 0.208 0.000 0.970 30 D CA 0.895 54.985 54.000 0.150 0.000 0.851 30 D CB 0.128 41.013 40.800 0.141 0.000 0.943 30 D HN -0.042 nan 8.370 nan 0.000 0.488 31 K N -0.843 119.638 120.400 0.135 0.000 2.365 31 K HA -0.080 4.227 4.320 -0.022 0.000 0.199 31 K C 1.580 178.262 176.600 0.138 0.000 1.045 31 K CA 0.270 56.637 56.287 0.133 0.000 0.962 31 K CB -0.153 32.440 32.500 0.156 0.000 0.759 31 K HN 0.288 nan 8.250 nan 0.000 0.469 32 F N 1.269 121.174 119.950 -0.074 0.000 2.243 32 F HA 0.024 4.539 4.527 -0.019 0.000 0.287 32 F C 1.454 177.166 175.800 -0.146 0.000 1.067 32 F CA 0.968 58.901 58.000 -0.111 0.000 1.304 32 F CB -0.283 38.526 39.000 -0.318 0.000 1.087 32 F HN 0.010 nan 8.300 nan 0.000 0.513 33 N N -0.750 117.925 118.700 -0.042 0.000 2.417 33 N HA -0.215 4.512 4.740 -0.022 0.000 0.187 33 N C 1.242 176.419 175.510 -0.556 0.000 1.027 33 N CA 0.937 53.799 53.050 -0.314 0.000 0.891 33 N CB -0.240 38.185 38.487 -0.102 0.000 0.956 33 N HN 0.471 nan 8.380 nan 0.000 0.442 34 H N -0.215 118.699 119.070 -0.259 0.000 2.516 34 H HA 0.037 4.580 4.556 -0.022 0.000 0.284 34 H C 1.707 176.879 175.328 -0.260 0.000 0.999 34 H CA 0.592 56.516 56.048 -0.207 0.000 1.303 34 H CB 0.496 30.193 29.762 -0.108 0.000 1.452 34 H HN 0.371 nan 8.280 nan 0.000 0.530 35 E N 1.192 121.255 120.200 -0.227 0.000 2.086 35 E HA -0.023 4.314 4.350 -0.022 0.000 0.190 35 E C 2.315 178.606 176.600 -0.515 0.000 0.975 35 E CA 0.714 56.920 56.400 -0.324 0.000 0.813 35 E CB 0.188 29.693 29.700 -0.326 0.000 0.768 35 E HN 0.272 nan 8.360 nan 0.000 0.457 36 A N 1.835 124.220 122.820 -0.725 0.000 1.859 36 A HA -0.326 3.981 4.320 -0.022 0.000 0.217 36 A C 2.137 179.591 177.584 -0.217 0.000 1.198 36 A CA 2.072 53.731 52.037 -0.630 0.000 0.629 36 A CB -1.031 17.258 19.000 -1.185 0.000 0.830 36 A HN 0.552 nan 8.150 nan 0.000 0.446 37 E N -0.247 119.616 120.200 -0.562 0.000 2.113 37 E HA -0.369 3.968 4.350 -0.022 0.000 0.210 37 E C 1.720 178.400 176.600 0.133 0.000 1.040 37 E CA 2.146 58.480 56.400 -0.109 0.000 0.847 37 E CB -0.317 29.295 29.700 -0.146 0.000 0.755 37 E HN 0.633 nan 8.360 nan 0.000 0.459 38 D N -0.179 120.216 120.400 -0.007 0.000 2.103 38 D HA -0.157 4.470 4.640 -0.022 0.000 0.199 38 D C 2.104 178.468 176.300 0.106 0.000 0.978 38 D CA 0.785 54.796 54.000 0.018 0.000 0.829 38 D CB -0.273 40.487 40.800 -0.067 0.000 0.981 38 D HN 0.250 nan 8.370 nan 0.000 0.464 39 L N -0.060 121.199 121.223 0.060 0.000 2.127 39 L HA -0.108 4.219 4.340 -0.022 0.000 0.211 39 L C 2.019 179.146 176.870 0.428 0.000 1.089 39 L CA 1.282 56.209 54.840 0.146 0.000 0.757 39 L CB -1.041 40.922 42.059 -0.159 0.000 0.899 39 L HN 0.153 nan 8.230 nan 0.000 0.434 40 F N -0.028 120.083 119.950 0.268 0.000 2.022 40 F HA -0.279 4.235 4.527 -0.021 0.000 0.293 40 F C 2.647 178.426 175.800 -0.035 0.000 1.142 40 F CA 1.693 59.583 58.000 -0.184 0.000 1.177 40 F CB -1.250 37.650 39.000 -0.168 0.000 0.982 40 F HN 0.109 nan 8.300 nan 0.000 0.473 41 Y N 0.997 121.241 120.300 -0.094 0.000 2.271 41 Y HA -0.377 4.160 4.550 -0.022 0.000 0.284 41 Y C 2.477 178.276 175.900 -0.168 0.000 1.189 41 Y CA 2.102 60.084 58.100 -0.196 0.000 1.229 41 Y CB -0.417 38.020 38.460 -0.037 0.000 0.973 41 Y HN 0.311 nan 8.280 nan 0.000 0.537 42 Q N -0.875 119.000 119.800 0.126 0.000 2.167 42 Q HA -0.141 4.186 4.340 -0.022 0.000 0.202 42 Q C 2.605 178.588 176.000 -0.030 0.000 0.970 42 Q CA 1.623 57.480 55.803 0.090 0.000 0.855 42 Q CB -0.224 28.578 28.738 0.106 0.000 0.911 42 Q HN 0.392 nan 8.270 nan 0.000 0.438 43 S N -1.351 114.276 115.700 -0.121 0.000 2.341 43 S HA -0.053 4.404 4.470 -0.022 0.000 0.216 43 S C 1.925 176.380 174.600 -0.242 0.000 1.034 43 S CA 0.975 59.081 58.200 -0.157 0.000 0.964 43 S CB -0.321 62.758 63.200 -0.200 0.000 0.882 43 S HN 0.409 nan 8.310 nan 0.000 0.469 44 S N 1.844 117.228 115.700 -0.528 0.000 2.400 44 S HA -0.137 4.320 4.470 -0.022 0.000 0.234 44 S C 1.753 176.285 174.600 -0.113 0.000 1.049 44 S CA 1.407 59.366 58.200 -0.400 0.000 1.039 44 S CB -0.588 62.166 63.200 -0.744 0.000 0.856 44 S HN 0.423 nan 8.310 nan 0.000 0.465 45 L N 0.417 121.451 121.223 -0.315 0.000 2.027 45 L HA -0.122 4.205 4.340 -0.022 0.000 0.206 45 L C 2.694 179.560 176.870 -0.007 0.000 1.074 45 L CA 1.365 56.050 54.840 -0.258 0.000 0.745 45 L CB -0.613 41.250 42.059 -0.326 0.000 0.898 45 L HN 0.389 nan 8.230 nan 0.000 0.433 46 A N -1.436 121.392 122.820 0.012 0.000 1.897 46 A HA -0.208 4.099 4.320 -0.022 0.000 0.215 46 A C 2.449 180.121 177.584 0.148 0.000 1.181 46 A CA 1.697 53.779 52.037 0.075 0.000 0.620 46 A CB -0.686 18.344 19.000 0.050 0.000 0.821 46 A HN 0.403 nan 8.150 nan 0.000 0.443 47 S N -1.427 114.368 115.700 0.159 0.000 2.419 47 S HA -0.184 4.273 4.470 -0.022 0.000 0.235 47 S C 1.695 176.596 174.600 0.502 0.000 1.019 47 S CA 1.550 59.912 58.200 0.270 0.000 0.982 47 S CB -0.422 62.898 63.200 0.199 0.000 0.789 47 S HN 0.765 nan 8.310 nan 0.000 0.490 48 W N 1.974 123.361 121.300 0.146 0.000 2.523 48 W HA 0.056 4.703 4.660 -0.022 0.000 0.278 48 W C 1.560 177.965 176.519 -0.190 0.000 1.236 48 W CA 0.741 57.908 57.345 -0.297 0.000 1.306 48 W CB -0.983 28.083 29.460 -0.657 0.000 1.101 48 W HN 0.427 nan 8.180 nan 0.000 0.577 49 N N -0.213 118.581 118.700 0.157 0.000 2.272 49 N HA -0.266 4.461 4.740 -0.022 0.000 0.185 49 N C 1.660 177.162 175.510 -0.013 0.000 1.014 49 N CA 1.552 54.633 53.050 0.051 0.000 0.870 49 N CB -0.539 38.012 38.487 0.107 0.000 0.975 49 N HN 0.129 nan 8.380 nan 0.000 0.433 50 Y N 2.241 122.518 120.300 -0.038 0.000 2.114 50 Y HA -0.072 4.465 4.550 -0.021 0.000 0.284 50 Y C 1.472 177.330 175.900 -0.070 0.000 1.119 50 Y CA 1.511 59.600 58.100 -0.017 0.000 1.108 50 Y CB -0.470 38.023 38.460 0.055 0.000 0.995 50 Y HN -0.057 nan 8.280 nan 0.000 0.491 51 N N -0.680 118.017 118.700 -0.006 0.000 2.651 51 N HA -0.093 4.634 4.740 -0.022 0.000 0.193 51 N C 0.692 175.946 175.510 -0.427 0.000 1.149 51 N CA 1.564 54.524 53.050 -0.149 0.000 0.933 51 N CB -0.168 38.438 38.487 0.198 0.000 0.974 51 N HN 0.363 nan 8.380 nan 0.000 0.448 52 T N -1.558 112.684 114.554 -0.520 0.000 3.004 52 T HA 0.153 4.490 4.350 -0.022 0.000 0.266 52 T C -0.099 174.401 174.700 -0.333 0.000 0.986 52 T CA -0.339 61.433 62.100 -0.546 0.000 0.902 52 T CB 0.276 68.660 68.868 -0.807 0.000 1.118 52 T HN 0.259 nan 8.240 nan 0.000 0.522 53 N N 1.046 119.570 118.700 -0.292 0.000 3.049 53 N HA 0.166 4.893 4.740 -0.022 0.000 0.241 53 N C -0.924 174.454 175.510 -0.220 0.000 1.323 53 N CA -0.157 52.772 53.050 -0.202 0.000 0.824 53 N CB 0.765 39.178 38.487 -0.124 0.000 1.557 53 N HN 0.063 nan 8.380 nan 0.000 0.612 54 I N 2.969 123.373 120.570 -0.276 0.000 2.882 54 I HA -0.016 4.141 4.170 -0.022 0.000 0.276 54 I C 1.427 177.501 176.117 -0.072 0.000 1.096 54 I CA 0.066 61.188 61.300 -0.296 0.000 1.872 54 I CB -0.883 36.923 38.000 -0.324 0.000 1.383 54 I HN 0.536 nan 8.210 nan 0.000 0.758 55 T N 1.165 115.704 114.554 -0.026 0.000 2.453 55 T HA -0.163 4.174 4.350 -0.022 0.000 0.243 55 T C 1.590 176.326 174.700 0.061 0.000 1.254 55 T CA 1.349 63.459 62.100 0.016 0.000 1.327 55 T CB 0.236 69.118 68.868 0.023 0.000 0.885 55 T HN 0.541 nan 8.240 nan 0.000 0.391 56 E N -1.597 118.657 120.200 0.090 0.000 1.407 56 E HA -0.067 4.270 4.350 -0.022 0.000 0.225 56 E C 1.668 178.322 176.600 0.090 0.000 1.060 56 E CA 0.258 56.721 56.400 0.105 0.000 1.268 56 E CB -0.946 28.797 29.700 0.072 0.000 4.512 56 E HN 0.187 nan 8.360 nan 0.000 0.751 57 E N 1.408 121.647 120.200 0.066 0.000 2.147 57 E HA -0.162 4.175 4.350 -0.022 0.000 0.199 57 E C 1.445 178.087 176.600 0.071 0.000 1.005 57 E CA 1.679 58.113 56.400 0.056 0.000 0.810 57 E CB -0.358 29.367 29.700 0.043 0.000 0.736 57 E HN 0.300 nan 8.360 nan 0.000 0.460 58 N N 0.118 118.874 118.700 0.093 0.000 2.270 58 N HA -0.079 4.648 4.740 -0.022 0.000 0.181 58 N C 1.907 177.516 175.510 0.164 0.000 1.016 58 N CA 0.577 53.701 53.050 0.123 0.000 0.870 58 N CB -0.274 38.290 38.487 0.128 0.000 0.979 58 N HN -0.055 nan 8.380 nan 0.000 0.431 59 V N 1.184 121.210 119.914 0.187 0.000 2.220 59 V HA -0.265 3.842 4.120 -0.022 0.000 0.246 59 V C 2.344 178.451 176.094 0.023 0.000 1.049 59 V CA 1.632 63.996 62.300 0.106 0.000 1.003 59 V CB -0.497 31.391 31.823 0.110 0.000 0.634 59 V HN 0.315 nan 8.190 nan 0.000 0.444 60 Q N 0.181 120.005 119.800 0.040 0.000 2.014 60 Q HA -0.249 4.078 4.340 -0.022 0.000 0.207 60 Q C 2.050 178.069 176.000 0.032 0.000 0.993 60 Q CA 2.266 58.086 55.803 0.028 0.000 0.850 60 Q CB -1.097 27.661 28.738 0.035 0.000 0.916 60 Q HN 0.768 nan 8.270 nan 0.000 0.417 61 N N 0.288 119.015 118.700 0.045 0.000 2.096 61 N HA -0.233 4.494 4.740 -0.022 0.000 0.195 61 N C 1.877 177.413 175.510 0.044 0.000 1.017 61 N CA 1.506 54.585 53.050 0.048 0.000 0.870 61 N CB -0.242 38.279 38.487 0.057 0.000 1.024 61 N HN 0.251 nan 8.380 nan 0.000 0.434 62 M N 2.007 121.631 119.600 0.040 0.000 2.074 62 M HA -0.148 4.319 4.480 -0.022 0.000 0.259 62 M C 0.676 176.979 176.300 0.004 0.000 1.079 62 M CA 1.851 57.165 55.300 0.022 0.000 1.119 62 M CB -0.309 32.286 32.600 -0.007 0.000 1.297 62 M HN 0.101 nan 8.290 nan 0.000 0.416 63 N N 0.086 118.773 118.700 -0.022 0.000 2.530 63 N HA -0.049 4.678 4.740 -0.022 0.000 0.216 63 N C -0.147 175.379 175.510 0.025 0.000 1.315 63 N CA 0.530 53.575 53.050 -0.008 0.000 0.858 63 N CB -0.390 38.076 38.487 -0.035 0.000 1.138 63 N HN 0.413 nan 8.380 nan 0.000 0.473 64 N N -0.466 118.258 118.700 0.040 0.000 2.486 64 N HA 0.264 4.991 4.740 -0.022 0.000 0.242 64 N C 1.391 176.947 175.510 0.076 0.000 1.083 64 N CA 0.750 53.832 53.050 0.054 0.000 0.844 64 N CB -0.139 38.375 38.487 0.046 0.000 1.527 64 N HN 0.276 nan 8.380 nan 0.000 0.462 65 A N 0.163 123.026 122.820 0.071 0.000 1.898 65 A HA 0.121 4.428 4.320 -0.022 0.000 0.216 65 A C 2.033 179.704 177.584 0.145 0.000 1.181 65 A CA 1.887 53.977 52.037 0.089 0.000 0.620 65 A CB -1.017 18.014 19.000 0.050 0.000 0.819 65 A HN 0.314 nan 8.150 nan 0.000 0.442 66 G N -1.343 107.531 108.800 0.124 0.000 2.683 66 G HA2 -0.072 3.875 3.960 -0.022 0.000 0.213 66 G HA3 -0.072 3.875 3.960 -0.022 0.000 0.213 66 G C 1.202 176.251 174.900 0.248 0.000 1.142 66 G CA 0.948 46.163 45.100 0.193 0.000 0.793 66 G HN 0.443 nan 8.290 nan 0.000 0.534 67 D N 0.751 121.249 120.400 0.163 0.000 2.224 67 D HA -0.073 4.554 4.640 -0.022 0.000 0.205 67 D C 2.342 178.739 176.300 0.162 0.000 0.965 67 D CA 0.829 54.912 54.000 0.139 0.000 0.852 67 D CB 0.247 41.099 40.800 0.087 0.000 0.947 67 D HN 0.307 nan 8.370 nan 0.000 0.494 68 K N 0.270 120.783 120.400 0.188 0.000 2.137 68 K HA -0.084 4.223 4.320 -0.022 0.000 0.202 68 K C 2.031 178.794 176.600 0.271 0.000 1.052 68 K CA 0.632 57.030 56.287 0.185 0.000 0.961 68 K CB -1.110 31.480 32.500 0.151 0.000 0.741 68 K HN 0.165 nan 8.250 nan 0.000 0.452 69 W N 1.427 122.831 121.300 0.173 0.000 2.392 69 W HA -0.098 4.550 4.660 -0.020 0.000 0.279 69 W C 1.669 178.361 176.519 0.288 0.000 1.225 69 W CA 1.610 59.126 57.345 0.285 0.000 1.233 69 W CB -0.507 29.107 29.460 0.256 0.000 1.122 69 W HN 0.270 nan 8.180 nan 0.000 0.561 70 S N 1.090 117.009 115.700 0.365 0.000 2.344 70 S HA -0.163 4.294 4.470 -0.022 0.000 0.217 70 S C 2.245 176.889 174.600 0.073 0.000 1.033 70 S CA 2.481 60.812 58.200 0.219 0.000 1.017 70 S CB -0.848 62.464 63.200 0.187 0.000 0.941 70 S HN 0.265 nan 8.310 nan 0.000 0.430 71 A N 0.661 123.538 122.820 0.095 0.000 1.978 71 A HA -0.051 4.256 4.320 -0.022 0.000 0.220 71 A C 1.984 179.595 177.584 0.044 0.000 1.170 71 A CA 1.872 53.945 52.037 0.060 0.000 0.636 71 A CB -1.024 18.024 19.000 0.080 0.000 0.810 71 A HN 0.727 nan 8.150 nan 0.000 0.448 72 F N 0.076 119.969 119.950 -0.095 0.000 2.060 72 F HA -0.088 4.427 4.527 -0.019 0.000 0.295 72 F C 1.755 177.437 175.800 -0.198 0.000 1.120 72 F CA 1.697 59.600 58.000 -0.160 0.000 1.205 72 F CB -0.735 38.108 39.000 -0.261 0.000 0.986 72 F HN 0.152 nan 8.300 nan 0.000 0.470 73 L N 1.180 121.901 121.223 -0.837 0.000 2.042 73 L HA -0.157 4.170 4.340 -0.022 0.000 0.210 73 L C 2.471 179.103 176.870 -0.397 0.000 1.076 73 L CA 2.206 56.554 54.840 -0.819 0.000 0.749 73 L CB -1.239 40.496 42.059 -0.540 0.000 0.893 73 L HN 0.312 nan 8.230 nan 0.000 0.432 74 K N 0.093 120.358 120.400 -0.225 0.000 1.978 74 K HA -0.248 4.059 4.320 -0.022 0.000 0.214 74 K C 2.114 178.641 176.600 -0.121 0.000 1.049 74 K CA 2.140 58.356 56.287 -0.119 0.000 0.939 74 K CB -0.840 31.626 32.500 -0.057 0.000 0.721 74 K HN 0.378 nan 8.250 nan 0.000 0.441 75 E N 0.850 120.983 120.200 -0.112 0.000 2.049 75 E HA -0.270 4.067 4.350 -0.022 0.000 0.198 75 E C 1.790 178.341 176.600 -0.081 0.000 1.007 75 E CA 1.730 58.089 56.400 -0.070 0.000 0.809 75 E CB -0.268 29.417 29.700 -0.025 0.000 0.749 75 E HN 0.562 nan 8.360 nan 0.000 0.450 76 Q N 0.103 119.799 119.800 -0.174 0.000 2.561 76 Q HA -0.058 4.269 4.340 -0.022 0.000 0.217 76 Q C 1.873 177.849 176.000 -0.041 0.000 0.980 76 Q CA 0.635 56.387 55.803 -0.085 0.000 0.927 76 Q CB -0.022 28.584 28.738 -0.218 0.000 0.980 76 Q HN 0.162 nan 8.270 nan 0.000 0.525 77 S N -0.397 115.252 115.700 -0.085 0.000 2.404 77 S HA -0.093 4.364 4.470 -0.022 0.000 0.223 77 S C 2.099 176.687 174.600 -0.019 0.000 1.040 77 S CA 1.400 59.566 58.200 -0.057 0.000 0.957 77 S CB 0.053 63.211 63.200 -0.070 0.000 0.826 77 S HN 0.617 nan 8.310 nan 0.000 0.491 78 T N 0.289 114.828 114.554 -0.025 0.000 2.770 78 T HA 0.079 4.416 4.350 -0.022 0.000 0.263 78 T C 1.767 176.451 174.700 -0.026 0.000 1.039 78 T CA 1.020 63.108 62.100 -0.021 0.000 1.142 78 T CB -0.813 68.041 68.868 -0.024 0.000 0.868 78 T HN 0.349 nan 8.240 nan 0.000 0.435 79 L N 0.363 121.571 121.223 -0.024 0.000 2.700 79 L HA 0.316 4.643 4.340 -0.022 0.000 0.240 79 L C 2.178 178.919 176.870 -0.216 0.000 1.162 79 L CA 0.583 55.381 54.840 -0.072 0.000 0.874 79 L CB -0.449 41.608 42.059 -0.003 0.000 1.001 79 L HN 0.496 nan 8.230 nan 0.000 0.447 80 A N -0.764 122.018 122.820 -0.063 0.000 1.988 80 A HA -0.016 4.291 4.320 -0.022 0.000 0.201 80 A C 1.907 179.523 177.584 0.053 0.000 1.410 80 A CA 0.323 52.344 52.037 -0.027 0.000 0.832 80 A CB -0.161 18.994 19.000 0.257 0.000 0.981 80 A HN 0.550 nan 8.150 nan 0.000 0.492 81 Q N 0.044 119.872 119.800 0.046 0.000 2.541 81 Q HA 0.004 4.331 4.340 -0.022 0.000 0.215 81 Q C 1.511 177.551 176.000 0.066 0.000 0.977 81 Q CA 0.871 56.708 55.803 0.056 0.000 0.934 81 Q CB -0.499 28.253 28.738 0.024 0.000 0.988 81 Q HN 0.555 nan 8.270 nan 0.000 0.521 82 M N 0.543 120.186 119.600 0.070 0.000 2.632 82 M HA -0.003 4.464 4.480 -0.022 0.000 0.256 82 M C -0.758 175.496 176.300 -0.077 0.000 1.080 82 M CA 0.768 56.043 55.300 -0.041 0.000 1.084 82 M CB 0.005 32.514 32.600 -0.150 0.000 1.439 82 M HN 0.108 nan 8.290 nan 0.000 0.509 83 Y N 2.229 122.463 120.300 -0.110 0.000 2.335 83 Y HA 0.456 4.994 4.550 -0.020 0.000 0.339 83 Y C -1.821 174.055 175.900 -0.040 0.000 0.987 83 Y CA -3.441 54.617 58.100 -0.070 0.000 1.140 83 Y CB -0.173 38.258 38.460 -0.049 0.000 1.173 83 Y HN 0.178 nan 8.280 nan 0.000 0.486 84 P HA -0.025 nan 4.420 nan 0.000 0.269 84 P C 0.884 178.218 177.300 0.057 0.000 1.211 84 P CA -0.110 63.018 63.100 0.046 0.000 0.781 84 P CB 1.154 32.863 31.700 0.015 0.000 0.877 85 L N 0.679 121.921 121.223 0.031 0.000 1.958 85 L HA -0.347 3.980 4.340 -0.022 0.000 0.238 85 L C 1.862 178.747 176.870 0.025 0.000 1.092 85 L CA 1.500 56.353 54.840 0.023 0.000 0.826 85 L CB -2.375 39.688 42.059 0.007 0.000 0.909 85 L HN 0.270 nan 8.230 nan 0.000 0.436 86 Q N 0.290 120.099 119.800 0.015 0.000 0.927 86 Q HA -0.065 4.262 4.340 -0.022 0.000 0.887 86 Q C 0.925 176.940 176.000 0.024 0.000 0.866 86 Q CA 0.834 56.645 55.803 0.013 0.000 0.863 86 Q CB -0.824 27.916 28.738 0.005 0.000 1.640 86 Q HN 0.559 nan 8.270 nan 0.000 0.157 87 E N -0.624 119.587 120.200 0.018 0.000 2.660 87 E HA -0.194 4.143 4.350 -0.022 0.000 0.260 87 E C -1.175 175.445 176.600 0.034 0.000 1.122 87 E CA 1.026 57.440 56.400 0.023 0.000 0.755 87 E CB -1.547 28.169 29.700 0.027 0.000 1.345 87 E HN 0.475 nan 8.360 nan 0.000 0.421 88 I N -3.484 117.101 120.570 0.026 0.000 2.644 88 I HA 0.410 4.567 4.170 -0.022 0.000 0.291 88 I C 0.465 176.590 176.117 0.013 0.000 1.180 88 I CA -1.137 60.179 61.300 0.027 0.000 1.040 88 I CB 1.920 39.939 38.000 0.031 0.000 1.255 88 I HN -0.095 nan 8.210 nan 0.000 0.422 89 Q N 2.209 122.016 119.800 0.012 0.000 3.065 89 Q HA 0.288 4.615 4.340 -0.022 0.000 0.207 89 Q C 0.115 176.115 176.000 -0.000 0.000 1.165 89 Q CA -0.785 55.020 55.803 0.003 0.000 0.371 89 Q CB 0.123 28.863 28.738 0.004 0.000 5.665 89 Q HN 0.767 nan 8.270 nan 0.000 0.313 90 N N 1.908 120.607 118.700 -0.002 0.000 2.759 90 N HA -0.188 4.540 4.740 -0.022 0.000 0.277 90 N C 0.793 176.297 175.510 -0.011 0.000 0.982 90 N CA 0.190 53.237 53.050 -0.005 0.000 0.833 90 N CB -0.544 37.944 38.487 0.002 0.000 0.927 90 N HN 0.604 nan 8.380 nan 0.000 0.573 91 L N -1.981 119.232 121.223 -0.017 0.000 2.373 91 L HA -0.422 3.905 4.340 -0.022 0.000 0.228 91 L C 1.878 178.733 176.870 -0.025 0.000 1.125 91 L CA 2.887 57.713 54.840 -0.024 0.000 0.855 91 L CB -2.407 39.631 42.059 -0.035 0.000 0.930 91 L HN 0.436 nan 8.230 nan 0.000 0.453 92 T N 1.678 116.218 114.554 -0.024 0.000 2.555 92 T HA -0.163 4.174 4.350 -0.022 0.000 0.264 92 T C 2.163 176.847 174.700 -0.026 0.000 1.083 92 T CA 2.931 65.015 62.100 -0.026 0.000 1.179 92 T CB -0.795 68.061 68.868 -0.019 0.000 0.863 92 T HN 0.539 nan 8.240 nan 0.000 0.412 93 V N 1.301 121.204 119.914 -0.019 0.000 2.495 93 V HA -0.295 3.812 4.120 -0.022 0.000 0.260 93 V C 2.150 178.226 176.094 -0.031 0.000 1.097 93 V CA 2.429 64.716 62.300 -0.022 0.000 1.105 93 V CB -0.893 30.927 31.823 -0.005 0.000 0.678 93 V HN 0.468 nan 8.190 nan 0.000 0.469 94 K N 1.032 121.417 120.400 -0.024 0.000 2.029 94 K HA -0.023 4.284 4.320 -0.022 0.000 0.205 94 K C 2.176 178.758 176.600 -0.031 0.000 1.042 94 K CA 1.473 57.746 56.287 -0.022 0.000 0.949 94 K CB -0.273 32.219 32.500 -0.014 0.000 0.740 94 K HN 0.601 nan 8.250 nan 0.000 0.442 95 L N 0.597 121.802 121.223 -0.031 0.000 2.131 95 L HA -0.058 4.269 4.340 -0.022 0.000 0.210 95 L C 2.312 179.155 176.870 -0.045 0.000 1.092 95 L CA 1.549 56.370 54.840 -0.032 0.000 0.759 95 L CB -1.100 40.940 42.059 -0.033 0.000 0.903 95 L HN 0.222 nan 8.230 nan 0.000 0.435 96 Q N -0.558 119.208 119.800 -0.057 0.000 2.167 96 Q HA -0.126 4.201 4.340 -0.022 0.000 0.202 96 Q C 2.227 178.158 176.000 -0.116 0.000 0.970 96 Q CA 1.022 56.779 55.803 -0.078 0.000 0.855 96 Q CB -0.052 28.643 28.738 -0.072 0.000 0.911 96 Q HN 0.566 nan 8.270 nan 0.000 0.438 97 L N 0.890 122.052 121.223 -0.102 0.000 2.056 97 L HA -0.217 4.110 4.340 -0.022 0.000 0.207 97 L C 2.074 178.895 176.870 -0.082 0.000 1.078 97 L CA 1.776 56.548 54.840 -0.113 0.000 0.749 97 L CB -0.969 41.045 42.059 -0.074 0.000 0.901 97 L HN 0.392 nan 8.230 nan 0.000 0.433 98 Q N -0.421 119.351 119.800 -0.047 0.000 2.065 98 Q HA -0.312 4.015 4.340 -0.022 0.000 0.213 98 Q C 2.164 178.155 176.000 -0.015 0.000 1.012 98 Q CA 2.425 58.217 55.803 -0.018 0.000 0.876 98 Q CB -0.437 28.299 28.738 -0.003 0.000 0.954 98 Q HN 0.639 nan 8.270 nan 0.000 0.413 99 A N 1.146 123.949 122.820 -0.029 0.000 1.852 99 A HA -0.253 4.054 4.320 -0.022 0.000 0.217 99 A C 2.150 179.710 177.584 -0.040 0.000 1.215 99 A CA 1.918 53.945 52.037 -0.015 0.000 0.641 99 A CB -1.174 17.808 19.000 -0.031 0.000 0.838 99 A HN 0.366 nan 8.150 nan 0.000 0.450 100 L N -0.895 120.248 121.223 -0.134 0.000 2.021 100 L HA -0.335 3.992 4.340 -0.022 0.000 0.215 100 L C 2.983 179.801 176.870 -0.087 0.000 1.074 100 L CA 2.042 56.770 54.840 -0.186 0.000 0.760 100 L CB -0.701 41.134 42.059 -0.374 0.000 0.889 100 L HN 0.559 nan 8.230 nan 0.000 0.433 101 Q N -0.322 119.449 119.800 -0.048 0.000 2.197 101 Q HA -0.187 4.140 4.340 -0.022 0.000 0.207 101 Q C 0.536 176.536 176.000 0.001 0.000 0.984 101 Q CA 0.926 56.724 55.803 -0.008 0.000 0.869 101 Q CB -0.108 28.635 28.738 0.009 0.000 0.906 101 Q HN 0.573 nan 8.270 nan 0.000 0.426 102 Q N 2.119 121.926 119.800 0.011 0.000 2.262 102 Q HA 0.047 4.374 4.340 -0.022 0.000 0.272 102 Q C -0.792 175.206 176.000 -0.003 0.000 1.076 102 Q CA -0.327 55.489 55.803 0.021 0.000 0.905 102 Q CB 0.148 28.931 28.738 0.075 0.000 1.182 102 Q HN 0.213 nan 8.270 nan 0.000 0.390 103 N N 1.740 120.420 118.700 -0.033 0.000 2.411 103 N HA 0.005 4.732 4.740 -0.022 0.000 0.265 103 N C 0.624 176.113 175.510 -0.036 0.000 1.266 103 N CA 0.340 53.363 53.050 -0.045 0.000 0.889 103 N CB 0.543 38.990 38.487 -0.067 0.000 1.069 103 N HN 0.651 nan 8.380 nan 0.000 0.476 104 G N 0.529 109.317 108.800 -0.020 0.000 2.393 104 G HA2 -0.119 3.828 3.960 -0.022 0.000 0.268 104 G HA3 -0.119 3.828 3.960 -0.022 0.000 0.268 104 G C 0.793 175.669 174.900 -0.039 0.000 1.472 104 G CA -0.445 44.656 45.100 0.002 0.000 1.059 104 G HN 0.515 nan 8.290 nan 0.000 0.555 105 S N -0.612 115.067 115.700 -0.034 0.000 2.803 105 S HA -0.005 4.452 4.470 -0.022 0.000 0.226 105 S C 2.273 176.836 174.600 -0.061 0.000 0.962 105 S CA 0.939 59.091 58.200 -0.080 0.000 0.968 105 S CB -0.662 62.493 63.200 -0.075 0.000 0.786 105 S HN 0.674 nan 8.310 nan 0.000 0.527 106 S N -0.234 115.440 115.700 -0.044 0.000 2.461 106 S HA -0.009 4.448 4.470 -0.022 0.000 0.228 106 S C 1.610 176.178 174.600 -0.054 0.000 1.005 106 S CA 0.615 58.791 58.200 -0.038 0.000 0.942 106 S CB -0.481 62.699 63.200 -0.033 0.000 0.776 106 S HN 0.343 nan 8.310 nan 0.000 0.514 107 V N 1.684 121.555 119.914 -0.072 0.000 2.944 107 V HA -0.038 4.069 4.120 -0.022 0.000 0.265 107 V C 1.169 177.215 176.094 -0.080 0.000 1.125 107 V CA 1.075 63.325 62.300 -0.083 0.000 1.145 107 V CB -1.171 30.585 31.823 -0.113 0.000 0.725 107 V HN 0.481 nan 8.190 nan 0.000 0.510 108 L N -0.451 120.725 121.223 -0.079 0.000 2.421 108 L HA 0.240 4.567 4.340 -0.022 0.000 0.263 108 L C 1.136 177.973 176.870 -0.055 0.000 1.122 108 L CA 0.018 54.812 54.840 -0.077 0.000 0.804 108 L CB 0.983 42.989 42.059 -0.089 0.000 1.150 108 L HN 0.016 nan 8.230 nan 0.000 0.457 109 S N 1.227 116.896 115.700 -0.052 0.000 3.911 109 S HA -0.051 4.406 4.470 -0.022 0.000 0.188 109 S C 1.012 175.594 174.600 -0.030 0.000 1.147 109 S CA 0.125 58.302 58.200 -0.038 0.000 0.961 109 S CB -0.857 62.321 63.200 -0.037 0.000 1.582 109 S HN 0.729 nan 8.310 nan 0.000 0.458 110 E N 2.674 122.858 120.200 -0.027 0.000 3.442 110 E HA -0.341 3.996 4.350 -0.022 0.000 0.345 110 E C 0.242 176.834 176.600 -0.014 0.000 1.218 110 E CA 2.774 59.164 56.400 -0.016 0.000 1.674 110 E CB -1.360 28.334 29.700 -0.011 0.000 1.582 110 E HN 0.703 nan 8.360 nan 0.000 0.332 111 D N 0.490 120.883 120.400 -0.012 0.000 2.396 111 D HA -0.008 4.619 4.640 -0.022 0.000 0.255 111 D C 1.326 177.616 176.300 -0.016 0.000 1.224 111 D CA 1.039 55.033 54.000 -0.010 0.000 0.894 111 D CB -0.107 40.688 40.800 -0.007 0.000 0.939 111 D HN 0.433 nan 8.370 nan 0.000 0.506 112 K N -0.258 120.128 120.400 -0.024 0.000 2.353 112 K HA -0.062 4.245 4.320 -0.022 0.000 0.206 112 K C 1.944 178.522 176.600 -0.037 0.000 1.191 112 K CA 0.356 56.624 56.287 -0.032 0.000 0.897 112 K CB 0.038 32.513 32.500 -0.042 0.000 1.283 112 K HN -0.072 nan 8.250 nan 0.000 0.477 113 S N 1.428 117.103 115.700 -0.042 0.000 2.440 113 S HA -0.177 4.280 4.470 -0.022 0.000 0.240 113 S C 1.626 176.209 174.600 -0.028 0.000 1.014 113 S CA 1.156 59.329 58.200 -0.045 0.000 0.980 113 S CB -0.378 62.798 63.200 -0.041 0.000 0.775 113 S HN 0.310 nan 8.310 nan 0.000 0.499 114 K N 1.160 121.549 120.400 -0.017 0.000 2.009 114 K HA -0.100 4.207 4.320 -0.022 0.000 0.210 114 K C 2.456 179.050 176.600 -0.011 0.000 1.049 114 K CA 1.563 57.845 56.287 -0.008 0.000 0.929 114 K CB -0.267 32.231 32.500 -0.004 0.000 0.714 114 K HN 0.288 nan 8.250 nan 0.000 0.440 115 R N 1.661 122.152 120.500 -0.015 0.000 2.117 115 R HA -0.156 4.171 4.340 -0.022 0.000 0.243 115 R C 2.132 178.426 176.300 -0.010 0.000 1.143 115 R CA 1.044 57.137 56.100 -0.011 0.000 0.968 115 R CB -0.686 29.604 30.300 -0.016 0.000 0.863 115 R HN 0.156 nan 8.270 nan 0.000 0.444 116 L N 0.820 122.030 121.223 -0.023 0.000 1.989 116 L HA -0.190 4.137 4.340 -0.022 0.000 0.211 116 L C 1.395 178.264 176.870 -0.003 0.000 1.071 116 L CA 2.181 57.010 54.840 -0.019 0.000 0.749 116 L CB -0.886 41.141 42.059 -0.053 0.000 0.890 116 L HN 0.376 nan 8.230 nan 0.000 0.431 117 N N -1.482 117.212 118.700 -0.011 0.000 2.025 117 N HA -0.223 4.504 4.740 -0.022 0.000 0.194 117 N C 1.592 177.095 175.510 -0.012 0.000 1.044 117 N CA 1.880 54.922 53.050 -0.013 0.000 0.851 117 N CB -0.465 38.015 38.487 -0.013 0.000 1.036 117 N HN 0.396 nan 8.380 nan 0.000 0.422 118 T N 1.864 116.415 114.554 -0.006 0.000 2.680 118 T HA -0.171 4.166 4.350 -0.022 0.000 0.268 118 T C 1.991 176.696 174.700 0.008 0.000 1.033 118 T CA 1.096 63.197 62.100 0.001 0.000 1.152 118 T CB -0.278 68.593 68.868 0.004 0.000 0.859 118 T HN 0.213 nan 8.240 nan 0.000 0.452 119 I N 0.166 120.743 120.570 0.012 0.000 2.163 119 I HA -0.107 4.050 4.170 -0.022 0.000 0.240 119 I C 2.405 178.526 176.117 0.007 0.000 1.081 119 I CA 1.067 62.381 61.300 0.024 0.000 1.353 119 I CB -0.390 37.637 38.000 0.045 0.000 1.054 119 I HN 0.205 nan 8.210 nan 0.000 0.407 120 L N 0.576 121.797 121.223 -0.005 0.000 1.990 120 L HA -0.277 4.050 4.340 -0.022 0.000 0.213 120 L C 2.438 179.294 176.870 -0.023 0.000 1.072 120 L CA 1.616 56.435 54.840 -0.036 0.000 0.755 120 L CB -0.844 41.199 42.059 -0.027 0.000 0.889 120 L HN 0.369 nan 8.230 nan 0.000 0.432 121 N N -0.538 118.149 118.700 -0.021 0.000 2.069 121 N HA -0.150 4.577 4.740 -0.022 0.000 0.191 121 N C 1.743 177.287 175.510 0.056 0.000 1.031 121 N CA 1.959 54.998 53.050 -0.018 0.000 0.852 121 N CB -0.538 37.912 38.487 -0.061 0.000 1.018 121 N HN 0.335 nan 8.380 nan 0.000 0.423 122 T N 2.363 116.945 114.554 0.048 0.000 2.569 122 T HA -0.116 4.221 4.350 -0.022 0.000 0.263 122 T C 2.075 176.826 174.700 0.085 0.000 1.074 122 T CA 1.277 63.419 62.100 0.070 0.000 1.176 122 T CB -0.340 68.557 68.868 0.049 0.000 0.863 122 T HN 0.184 nan 8.240 nan 0.000 0.410 123 M N 1.295 120.925 119.600 0.050 0.000 2.186 123 M HA -0.262 4.205 4.480 -0.022 0.000 0.249 123 M C 2.627 178.988 176.300 0.102 0.000 1.081 123 M CA 2.124 57.450 55.300 0.043 0.000 1.072 123 M CB -1.027 31.554 32.600 -0.032 0.000 1.318 123 M HN 0.396 nan 8.290 nan 0.000 0.405 124 S N 0.065 115.835 115.700 0.116 0.000 2.344 124 S HA -0.177 4.280 4.470 -0.022 0.000 0.217 124 S C 1.979 176.758 174.600 0.298 0.000 1.033 124 S CA 2.770 61.100 58.200 0.217 0.000 1.017 124 S CB -0.691 62.661 63.200 0.253 0.000 0.941 124 S HN 0.679 nan 8.310 nan 0.000 0.430 125 T N 1.533 116.247 114.554 0.267 0.000 2.597 125 T HA -0.159 4.178 4.350 -0.022 0.000 0.267 125 T C 1.897 176.716 174.700 0.199 0.000 1.053 125 T CA 1.707 63.944 62.100 0.229 0.000 1.165 125 T CB -0.983 68.005 68.868 0.199 0.000 0.863 125 T HN 0.330 nan 8.240 nan 0.000 0.427 126 I N 0.861 121.530 120.570 0.165 0.000 2.113 126 I HA -0.201 3.956 4.170 -0.022 0.000 0.242 126 I C 2.303 178.542 176.117 0.204 0.000 1.057 126 I CA 1.766 63.144 61.300 0.129 0.000 1.314 126 I CB -1.592 36.452 38.000 0.074 0.000 1.022 126 I HN 0.403 nan 8.210 nan 0.000 0.408 127 Y N 1.848 122.250 120.300 0.170 0.000 2.060 127 Y HA -0.184 4.353 4.550 -0.021 0.000 0.276 127 Y C 1.975 178.094 175.900 0.364 0.000 1.127 127 Y CA 1.868 60.162 58.100 0.324 0.000 1.104 127 Y CB -0.115 38.538 38.460 0.323 0.000 0.983 127 Y HN 0.041 nan 8.280 nan 0.000 0.483 128 S N 0.386 116.310 115.700 0.374 0.000 3.983 128 S HA 0.199 4.656 4.470 -0.022 0.000 0.194 128 S C 0.213 174.882 174.600 0.115 0.000 1.464 128 S CA 0.657 58.970 58.200 0.188 0.000 1.021 128 S CB 0.069 63.414 63.200 0.241 0.000 1.424 128 S HN 0.581 nan 8.310 nan 0.000 0.473 129 T N -0.105 114.516 114.554 0.111 0.000 3.597 129 T HA 0.072 4.409 4.350 -0.022 0.000 0.276 129 T C 0.893 175.656 174.700 0.104 0.000 0.904 129 T CA 0.125 62.275 62.100 0.084 0.000 0.750 129 T CB -0.757 68.161 68.868 0.083 0.000 1.177 129 T HN 0.548 nan 8.240 nan 0.000 0.864 130 G N 2.385 111.279 108.800 0.156 0.000 2.414 130 G HA2 0.449 4.397 3.960 -0.022 0.000 0.236 130 G HA3 0.449 4.397 3.960 -0.022 0.000 0.236 130 G C -0.652 174.383 174.900 0.225 0.000 1.293 130 G CA 0.329 45.525 45.100 0.159 0.000 0.869 130 G HN 0.364 nan 8.290 nan 0.000 0.556 131 K N 0.089 120.582 120.400 0.155 0.000 2.426 131 K HA 0.531 4.838 4.320 -0.022 0.000 0.251 131 K C -0.687 176.003 176.600 0.149 0.000 0.941 131 K CA -0.894 55.487 56.287 0.156 0.000 0.808 131 K CB 2.705 35.267 32.500 0.103 0.000 1.265 131 K HN 0.451 nan 8.250 nan 0.000 0.432 132 V N -1.848 118.170 119.914 0.174 0.000 2.555 132 V HA 0.574 4.681 4.120 -0.022 0.000 0.302 132 V C -0.592 175.674 176.094 0.287 0.000 1.038 132 V CA -0.825 61.584 62.300 0.182 0.000 0.887 132 V CB 1.494 33.347 31.823 0.050 0.000 0.991 132 V HN 0.888 nan 8.190 nan 0.000 0.434 133 c N 5.023 123.808 118.600 0.309 0.000 2.345 133 c HA 0.501 5.058 4.570 -0.022 0.000 0.323 133 c C 0.437 174.678 174.090 0.251 0.000 1.276 133 c CA -0.572 55.908 56.329 0.253 0.000 1.543 133 c CB 0.546 43.140 42.510 0.139 0.000 2.211 133 c HN 1.109 nan 8.230 nan 0.000 0.493 134 N N 5.109 123.865 118.700 0.093 0.000 2.138 134 N HA -0.057 4.670 4.740 -0.022 0.000 0.271 134 N C -1.572 173.857 175.510 -0.136 0.000 1.272 134 N CA -0.272 52.657 53.050 -0.202 0.000 0.819 134 N CB 0.986 39.357 38.487 -0.194 0.000 1.052 134 N HN 0.431 nan 8.380 nan 0.000 0.479 135 P HA -0.108 nan 4.420 nan 0.000 0.214 135 P C 0.310 177.556 177.300 -0.090 0.000 1.162 135 P CA 1.354 64.388 63.100 -0.110 0.000 0.879 135 P CB 0.007 31.613 31.700 -0.157 0.000 0.786 136 D N -1.506 118.815 120.400 -0.131 0.000 2.332 136 D HA -0.054 4.573 4.640 -0.022 0.000 0.244 136 D C 0.007 176.265 176.300 -0.069 0.000 1.136 136 D CA 0.377 54.324 54.000 -0.089 0.000 0.884 136 D CB -1.026 39.714 40.800 -0.100 0.000 0.906 136 D HN 0.312 nan 8.370 nan 0.000 0.520 137 N N 0.118 118.781 118.700 -0.062 0.000 3.506 137 N HA 0.034 4.761 4.740 -0.022 0.000 0.174 137 N C -2.591 172.908 175.510 -0.018 0.000 1.488 137 N CA -0.734 52.294 53.050 -0.037 0.000 0.834 137 N CB 1.032 39.493 38.487 -0.043 0.000 1.677 137 N HN -0.337 nan 8.380 nan 0.000 0.654 138 P HA -0.181 nan 4.420 nan 0.000 0.222 138 P C 0.486 177.800 177.300 0.024 0.000 1.139 138 P CA 1.415 64.525 63.100 0.018 0.000 0.790 138 P CB 0.254 31.964 31.700 0.016 0.000 0.757 139 Q N -1.807 118.001 119.800 0.014 0.000 2.352 139 Q HA 0.082 4.409 4.340 -0.022 0.000 0.212 139 Q C 0.638 176.650 176.000 0.021 0.000 0.888 139 Q CA 0.175 55.988 55.803 0.018 0.000 0.934 139 Q CB 0.108 28.852 28.738 0.011 0.000 1.093 139 Q HN 0.289 nan 8.270 nan 0.000 0.523 140 E N 0.710 120.920 120.200 0.016 0.000 1.936 140 E HA 0.185 4.522 4.350 -0.022 0.000 0.267 140 E C -1.060 175.574 176.600 0.057 0.000 1.076 140 E CA -0.304 56.108 56.400 0.021 0.000 0.870 140 E CB 0.107 29.802 29.700 -0.008 0.000 1.093 140 E HN 0.217 nan 8.360 nan 0.000 0.411 141 c N 4.398 123.041 118.600 0.071 0.000 2.391 141 c HA 0.573 5.130 4.570 -0.022 0.000 0.339 141 c C -0.077 174.076 174.090 0.105 0.000 1.205 141 c CA -0.785 55.608 56.329 0.108 0.000 1.937 141 c CB 0.327 42.888 42.510 0.086 0.000 2.341 141 c HN 0.652 nan 8.230 nan 0.000 0.516 142 L N 2.967 124.272 121.223 0.137 0.000 2.385 142 L HA 0.449 4.776 4.340 -0.022 0.000 0.273 142 L C -0.457 176.443 176.870 0.049 0.000 0.990 142 L CA -0.574 54.321 54.840 0.091 0.000 0.821 142 L CB 1.317 43.451 42.059 0.125 0.000 1.279 142 L HN 0.415 nan 8.230 nan 0.000 0.412 143 L N 1.764 122.988 121.223 0.001 0.000 2.479 143 L HA 0.160 4.488 4.340 -0.022 0.000 0.248 143 L C 0.881 177.653 176.870 -0.163 0.000 1.205 143 L CA 0.287 55.106 54.840 -0.035 0.000 0.817 143 L CB 0.627 42.664 42.059 -0.036 0.000 1.162 143 L HN 0.527 nan 8.230 nan 0.000 0.486 144 L N 0.649 121.681 121.223 -0.318 0.000 2.291 144 L HA 0.065 4.392 4.340 -0.022 0.000 0.214 144 L C 0.254 176.915 176.870 -0.349 0.000 1.120 144 L CA 1.065 55.544 54.840 -0.601 0.000 0.799 144 L CB -0.260 41.167 42.059 -1.055 0.000 0.925 144 L HN 0.712 nan 8.230 nan 0.000 0.446 145 E N 0.676 120.749 120.200 -0.211 0.000 2.279 145 E HA 0.427 4.764 4.350 -0.022 0.000 0.252 145 E C -2.678 173.873 176.600 -0.082 0.000 0.894 145 E CA -1.945 54.377 56.400 -0.130 0.000 0.785 145 E CB 1.118 30.757 29.700 -0.101 0.000 1.237 145 E HN 0.126 nan 8.360 nan 0.000 0.418 146 P HA 0.787 nan 4.420 nan 0.000 0.319 146 P C 0.312 177.570 177.300 -0.071 0.000 1.291 146 P CA 0.097 63.154 63.100 -0.072 0.000 0.817 146 P CB 1.891 33.566 31.700 -0.041 0.000 1.349 147 G N -0.937 107.825 108.800 -0.063 0.000 2.261 147 G HA2 -0.208 3.739 3.960 -0.022 0.000 0.228 147 G HA3 -0.208 3.739 3.960 -0.022 0.000 0.228 147 G C 0.701 175.563 174.900 -0.063 0.000 2.090 147 G CA 0.107 45.188 45.100 -0.032 0.000 1.588 147 G HN 0.419 nan 8.290 nan 0.000 0.520 148 L N 2.243 123.380 121.223 -0.143 0.000 2.081 148 L HA -0.022 4.306 4.340 -0.022 0.000 0.212 148 L C 2.384 179.103 176.870 -0.251 0.000 1.080 148 L CA 2.536 57.232 54.840 -0.240 0.000 0.754 148 L CB -1.712 40.059 42.059 -0.481 0.000 0.893 148 L HN 0.594 nan 8.230 nan 0.000 0.433 149 N N -0.655 117.901 118.700 -0.240 0.000 2.092 149 N HA -0.175 4.552 4.740 -0.022 0.000 0.189 149 N C 1.854 177.306 175.510 -0.095 0.000 1.040 149 N CA 1.278 54.218 53.050 -0.184 0.000 0.845 149 N CB 0.034 38.432 38.487 -0.148 0.000 1.017 149 N HN 0.451 nan 8.380 nan 0.000 0.426 150 E N 1.683 121.847 120.200 -0.061 0.000 2.097 150 E HA -0.197 4.140 4.350 -0.022 0.000 0.196 150 E C 1.761 178.356 176.600 -0.008 0.000 1.000 150 E CA 1.303 57.689 56.400 -0.023 0.000 0.804 150 E CB -0.990 28.705 29.700 -0.009 0.000 0.740 150 E HN 0.368 nan 8.360 nan 0.000 0.454 151 I N -0.236 120.331 120.570 -0.005 0.000 2.090 151 I HA -0.237 3.920 4.170 -0.022 0.000 0.236 151 I C 2.638 178.760 176.117 0.009 0.000 1.064 151 I CA 1.506 62.821 61.300 0.024 0.000 1.324 151 I CB -0.274 37.762 38.000 0.060 0.000 1.044 151 I HN 0.240 nan 8.210 nan 0.000 0.399 152 M N 0.264 119.845 119.600 -0.032 0.000 2.623 152 M HA -0.132 4.335 4.480 -0.022 0.000 0.258 152 M C 1.912 178.200 176.300 -0.020 0.000 1.067 152 M CA 1.142 56.417 55.300 -0.041 0.000 1.068 152 M CB -1.375 31.150 32.600 -0.126 0.000 1.409 152 M HN 0.367 nan 8.290 nan 0.000 0.504 153 A N -1.030 121.785 122.820 -0.008 0.000 2.259 153 A HA 0.136 4.443 4.320 -0.022 0.000 0.213 153 A C 1.659 179.262 177.584 0.031 0.000 1.209 153 A CA 0.369 52.416 52.037 0.017 0.000 0.910 153 A CB 0.061 19.067 19.000 0.011 0.000 0.946 153 A HN 0.535 nan 8.150 nan 0.000 0.497 154 N N -1.229 117.489 118.700 0.030 0.000 2.677 154 N HA 0.080 4.807 4.740 -0.022 0.000 0.242 154 N C 0.603 176.144 175.510 0.051 0.000 1.044 154 N CA 0.417 53.490 53.050 0.039 0.000 0.934 154 N CB 0.195 38.701 38.487 0.031 0.000 1.595 154 N HN 0.188 nan 8.380 nan 0.000 0.459 155 S N 0.560 116.293 115.700 0.055 0.000 2.593 155 S HA -0.057 4.400 4.470 -0.022 0.000 0.303 155 S C 0.549 175.213 174.600 0.105 0.000 1.267 155 S CA 0.224 58.469 58.200 0.075 0.000 1.047 155 S CB 0.273 63.523 63.200 0.084 0.000 0.777 155 S HN 0.215 nan 8.310 nan 0.000 0.498 156 L N 2.873 124.171 121.223 0.125 0.000 2.858 156 L HA 0.409 4.736 4.340 -0.022 0.000 0.251 156 L C 0.458 177.489 176.870 0.269 0.000 1.149 156 L CA 0.040 54.995 54.840 0.192 0.000 0.955 156 L CB -0.007 42.088 42.059 0.060 0.000 1.289 156 L HN 0.605 nan 8.230 nan 0.000 0.542 157 D N -0.721 119.799 120.400 0.200 0.000 2.383 157 D HA -0.075 4.553 4.640 -0.022 0.000 0.245 157 D C 1.355 177.818 176.300 0.271 0.000 1.263 157 D CA -0.074 54.059 54.000 0.222 0.000 0.936 157 D CB 0.216 41.106 40.800 0.150 0.000 1.053 157 D HN 0.209 nan 8.370 nan 0.000 0.507 158 Y N 3.887 124.331 120.300 0.241 0.000 2.316 158 Y HA -0.382 4.155 4.550 -0.022 0.000 0.279 158 Y C 1.316 177.243 175.900 0.045 0.000 1.217 158 Y CA 1.812 59.935 58.100 0.039 0.000 1.273 158 Y CB 0.016 38.393 38.460 -0.138 0.000 0.970 158 Y HN 0.493 nan 8.280 nan 0.000 0.553 159 N N -0.260 118.598 118.700 0.263 0.000 2.305 159 N HA -0.133 4.594 4.740 -0.022 0.000 0.179 159 N C 1.797 177.405 175.510 0.164 0.000 1.019 159 N CA 1.157 54.327 53.050 0.200 0.000 0.869 159 N CB -0.342 38.265 38.487 0.199 0.000 1.000 159 N HN 0.556 nan 8.380 nan 0.000 0.431 160 E N 1.474 121.771 120.200 0.162 0.000 2.031 160 E HA -0.149 4.188 4.350 -0.022 0.000 0.193 160 E C 1.832 178.553 176.600 0.201 0.000 0.994 160 E CA 0.901 57.417 56.400 0.192 0.000 0.800 160 E CB 0.209 29.996 29.700 0.145 0.000 0.752 160 E HN 0.084 nan 8.360 nan 0.000 0.447 161 R N 0.566 121.139 120.500 0.122 0.000 2.112 161 R HA -0.207 4.120 4.340 -0.022 0.000 0.242 161 R C 2.571 178.923 176.300 0.086 0.000 1.137 161 R CA 1.214 57.364 56.100 0.084 0.000 0.944 161 R CB -1.391 28.902 30.300 -0.013 0.000 0.857 161 R HN 0.354 nan 8.270 nan 0.000 0.435 162 L N -0.487 120.723 121.223 -0.021 0.000 2.012 162 L HA -0.199 4.129 4.340 -0.022 0.000 0.210 162 L C 2.432 179.298 176.870 -0.007 0.000 1.073 162 L CA 1.576 56.247 54.840 -0.281 0.000 0.748 162 L CB -0.372 41.428 42.059 -0.431 0.000 0.891 162 L HN 0.264 nan 8.230 nan 0.000 0.431 163 W N 0.388 121.679 121.300 -0.014 0.000 2.329 163 W HA -0.287 4.360 4.660 -0.021 0.000 0.324 163 W C 2.463 179.044 176.519 0.103 0.000 1.222 163 W CA 2.279 59.652 57.345 0.046 0.000 1.270 163 W CB -0.870 28.614 29.460 0.041 0.000 1.167 163 W HN 0.217 nan 8.180 nan 0.000 0.467 164 A N 0.499 123.230 122.820 -0.148 0.000 1.893 164 A HA -0.366 3.941 4.320 -0.022 0.000 0.222 164 A C 1.878 179.320 177.584 -0.236 0.000 1.309 164 A CA 2.558 54.362 52.037 -0.388 0.000 0.681 164 A CB -2.045 16.925 19.000 -0.050 0.000 0.842 164 A HN 0.748 nan 8.150 nan 0.000 0.468 165 W N 0.401 121.568 121.300 -0.221 0.000 2.301 165 W HA -0.287 4.360 4.660 -0.021 0.000 0.325 165 W C 2.338 178.808 176.519 -0.082 0.000 1.250 165 W CA 2.796 60.059 57.345 -0.136 0.000 1.261 165 W CB -0.233 29.162 29.460 -0.108 0.000 1.157 165 W HN 0.495 nan 8.180 nan 0.000 0.473 166 E N 0.490 120.944 120.200 0.424 0.000 2.028 166 E HA -0.213 4.124 4.350 -0.022 0.000 0.191 166 E C 2.311 178.921 176.600 0.015 0.000 0.988 166 E CA 2.776 59.382 56.400 0.343 0.000 0.799 166 E CB -0.845 29.032 29.700 0.295 0.000 0.755 166 E HN 0.291 nan 8.360 nan 0.000 0.447 167 S N 0.830 116.393 115.700 -0.229 0.000 2.368 167 S HA -0.266 4.191 4.470 -0.022 0.000 0.226 167 S C 2.079 176.567 174.600 -0.187 0.000 1.044 167 S CA 1.349 59.350 58.200 -0.332 0.000 1.062 167 S CB -1.678 60.944 63.200 -0.963 0.000 0.931 167 S HN 0.623 nan 8.310 nan 0.000 0.440 168 W N 2.990 124.050 121.300 -0.400 0.000 2.315 168 W HA -0.230 4.417 4.660 -0.022 0.000 0.323 168 W C 2.510 178.893 176.519 -0.228 0.000 1.233 168 W CA 1.888 59.048 57.345 -0.307 0.000 1.267 168 W CB -0.328 28.919 29.460 -0.355 0.000 1.160 168 W HN 0.308 nan 8.180 nan 0.000 0.474 169 R N 0.004 120.309 120.500 -0.325 0.000 2.120 169 R HA -0.163 4.164 4.340 -0.022 0.000 0.234 169 R C 2.682 178.857 176.300 -0.208 0.000 1.123 169 R CA 1.742 57.617 56.100 -0.376 0.000 0.975 169 R CB -0.692 29.352 30.300 -0.426 0.000 0.866 169 R HN 0.118 nan 8.270 nan 0.000 0.446 170 S N 0.531 116.175 115.700 -0.092 0.000 2.335 170 S HA -0.132 4.325 4.470 -0.022 0.000 0.217 170 S C 1.672 176.151 174.600 -0.202 0.000 1.032 170 S CA 1.145 59.287 58.200 -0.098 0.000 0.985 170 S CB 0.036 63.251 63.200 0.025 0.000 0.896 170 S HN 0.180 nan 8.310 nan 0.000 0.445 171 E N 0.500 120.593 120.200 -0.177 0.000 1.998 171 E HA -0.095 4.242 4.350 -0.022 0.000 0.196 171 E C 2.271 178.719 176.600 -0.254 0.000 1.003 171 E CA 1.866 58.167 56.400 -0.164 0.000 0.829 171 E CB -0.481 29.163 29.700 -0.093 0.000 0.777 171 E HN 0.509 nan 8.360 nan 0.000 0.460 172 V N -1.440 118.223 119.914 -0.418 0.000 2.283 172 V HA 0.002 4.109 4.120 -0.022 0.000 0.243 172 V C 2.174 177.979 176.094 -0.482 0.000 1.039 172 V CA 1.919 63.907 62.300 -0.520 0.000 1.016 172 V CB -1.558 29.697 31.823 -0.946 0.000 0.650 172 V HN 0.338 nan 8.190 nan 0.000 0.449 173 G N 0.397 108.832 108.800 -0.608 0.000 2.679 173 G HA2 -0.449 3.498 3.960 -0.022 0.000 0.222 173 G HA3 -0.449 3.498 3.960 -0.022 0.000 0.222 173 G C 1.572 176.315 174.900 -0.262 0.000 1.164 173 G CA 1.827 46.682 45.100 -0.409 0.000 0.769 173 G HN 0.552 nan 8.290 nan 0.000 0.610 174 K N 0.265 120.499 120.400 -0.276 0.000 2.103 174 K HA -0.052 4.256 4.320 -0.022 0.000 0.207 174 K C 2.835 179.344 176.600 -0.151 0.000 1.048 174 K CA 1.464 57.607 56.287 -0.240 0.000 0.930 174 K CB -0.231 32.082 32.500 -0.311 0.000 0.716 174 K HN 0.529 nan 8.250 nan 0.000 0.444 175 Q N -0.348 119.362 119.800 -0.150 0.000 2.050 175 Q HA -0.162 4.165 4.340 -0.022 0.000 0.202 175 Q C 1.795 177.764 176.000 -0.052 0.000 0.980 175 Q CA 1.079 56.826 55.803 -0.092 0.000 0.840 175 Q CB -0.152 28.531 28.738 -0.093 0.000 0.898 175 Q HN 0.183 nan 8.270 nan 0.000 0.424 176 L N 0.818 121.998 121.223 -0.071 0.000 1.990 176 L HA -0.231 4.096 4.340 -0.022 0.000 0.213 176 L C 2.371 179.279 176.870 0.063 0.000 1.072 176 L CA 1.668 56.497 54.840 -0.018 0.000 0.755 176 L CB -1.382 40.630 42.059 -0.079 0.000 0.889 176 L HN 0.240 nan 8.230 nan 0.000 0.432 177 R N 0.586 121.113 120.500 0.044 0.000 2.273 177 R HA -0.231 4.096 4.340 -0.022 0.000 0.229 177 R C -0.345 176.062 176.300 0.177 0.000 1.104 177 R CA 2.529 58.711 56.100 0.137 0.000 0.870 177 R CB -2.027 28.312 30.300 0.065 0.000 0.894 177 R HN 0.174 nan 8.270 nan 0.000 0.421 178 P HA -0.214 nan 4.420 nan 0.000 0.222 178 P C 1.216 178.580 177.300 0.106 0.000 1.159 178 P CA 2.095 65.235 63.100 0.067 0.000 0.920 178 P CB -0.175 31.542 31.700 0.029 0.000 0.793 179 L N -4.026 117.271 121.223 0.123 0.000 2.313 179 L HA -0.128 4.199 4.340 -0.022 0.000 0.214 179 L C 2.481 179.490 176.870 0.232 0.000 1.119 179 L CA 0.969 55.891 54.840 0.136 0.000 0.809 179 L CB -0.734 41.384 42.059 0.098 0.000 0.933 179 L HN -0.019 nan 8.230 nan 0.000 0.449 180 Y N 1.327 121.737 120.300 0.184 0.000 2.220 180 Y HA -0.183 4.354 4.550 -0.021 0.000 0.291 180 Y C 2.508 178.682 175.900 0.456 0.000 1.129 180 Y CA 1.274 59.569 58.100 0.324 0.000 1.161 180 Y CB -0.007 38.654 38.460 0.335 0.000 0.997 180 Y HN 0.184 nan 8.280 nan 0.000 0.522 181 E N 0.009 120.472 120.200 0.438 0.000 2.070 181 E HA -0.265 4.072 4.350 -0.022 0.000 0.197 181 E C 1.900 178.590 176.600 0.150 0.000 1.004 181 E CA 1.827 58.400 56.400 0.289 0.000 0.805 181 E CB -0.281 29.440 29.700 0.035 0.000 0.744 181 E HN 0.661 nan 8.360 nan 0.000 0.451 182 E N 0.188 120.450 120.200 0.103 0.000 2.150 182 E HA -0.193 4.144 4.350 -0.022 0.000 0.193 182 E C 1.930 178.531 176.600 0.001 0.000 0.985 182 E CA 0.849 57.272 56.400 0.037 0.000 0.814 182 E CB -0.269 29.453 29.700 0.037 0.000 0.752 182 E HN 0.367 nan 8.360 nan 0.000 0.466 183 Y N 1.918 122.149 120.300 -0.116 0.000 2.114 183 Y HA -0.288 4.249 4.550 -0.021 0.000 0.284 183 Y C 2.430 178.135 175.900 -0.325 0.000 1.143 183 Y CA 1.738 59.700 58.100 -0.229 0.000 1.135 183 Y CB -0.339 37.966 38.460 -0.258 0.000 0.980 183 Y HN -0.022 nan 8.280 nan 0.000 0.499 184 V N -1.179 118.422 119.914 -0.522 0.000 2.287 184 V HA -0.245 3.862 4.120 -0.022 0.000 0.248 184 V C 1.975 177.804 176.094 -0.441 0.000 1.053 184 V CA 1.993 63.962 62.300 -0.551 0.000 1.027 184 V CB -1.539 30.250 31.823 -0.057 0.000 0.646 184 V HN 0.349 nan 8.190 nan 0.000 0.447 185 V N 0.275 120.055 119.914 -0.223 0.000 2.215 185 V HA -0.234 3.873 4.120 -0.022 0.000 0.246 185 V C 2.723 178.662 176.094 -0.259 0.000 1.047 185 V CA 2.442 64.635 62.300 -0.178 0.000 0.999 185 V CB -0.974 30.793 31.823 -0.093 0.000 0.635 185 V HN 0.470 nan 8.190 nan 0.000 0.450 186 L N -0.283 120.794 121.223 -0.244 0.000 1.997 186 L HA -0.256 4.071 4.340 -0.022 0.000 0.216 186 L C 2.473 179.113 176.870 -0.384 0.000 1.074 186 L CA 2.329 57.018 54.840 -0.252 0.000 0.763 186 L CB -1.531 40.413 42.059 -0.192 0.000 0.890 186 L HN 0.390 nan 8.230 nan 0.000 0.434 187 K N 0.028 120.067 120.400 -0.601 0.000 2.103 187 K HA -0.166 4.141 4.320 -0.022 0.000 0.207 187 K C 1.914 178.042 176.600 -0.786 0.000 1.048 187 K CA 1.145 56.900 56.287 -0.888 0.000 0.930 187 K CB -0.200 31.390 32.500 -1.516 0.000 0.716 187 K HN 0.195 nan 8.250 nan 0.000 0.444 188 N N 0.656 118.971 118.700 -0.641 0.000 2.058 188 N HA -0.181 4.546 4.740 -0.022 0.000 0.191 188 N C 1.547 176.889 175.510 -0.281 0.000 1.037 188 N CA 1.502 54.296 53.050 -0.427 0.000 0.848 188 N CB -0.211 38.096 38.487 -0.301 0.000 1.021 188 N HN 0.353 nan 8.380 nan 0.000 0.422 189 E N -0.117 119.937 120.200 -0.244 0.000 2.097 189 E HA -0.248 4.089 4.350 -0.022 0.000 0.196 189 E C 1.941 178.431 176.600 -0.183 0.000 1.000 189 E CA 1.147 57.443 56.400 -0.174 0.000 0.804 189 E CB -0.140 29.468 29.700 -0.153 0.000 0.740 189 E HN 0.287 nan 8.360 nan 0.000 0.454 190 M N 0.704 120.155 119.600 -0.248 0.000 2.086 190 M HA -0.161 4.306 4.480 -0.022 0.000 0.261 190 M C 2.130 178.290 176.300 -0.234 0.000 1.067 190 M CA 1.953 57.106 55.300 -0.245 0.000 1.116 190 M CB -0.679 31.734 32.600 -0.312 0.000 1.348 190 M HN 0.183 nan 8.290 nan 0.000 0.407 191 A N 1.256 123.916 122.820 -0.267 0.000 1.829 191 A HA -0.209 4.098 4.320 -0.022 0.000 0.216 191 A C 2.137 179.721 177.584 -0.000 0.000 1.207 191 A CA 2.127 54.065 52.037 -0.165 0.000 0.622 191 A CB -0.936 17.977 19.000 -0.146 0.000 0.846 191 A HN 0.627 nan 8.150 nan 0.000 0.447 192 R N -0.386 120.105 120.500 -0.015 0.000 2.133 192 R HA -0.155 4.172 4.340 -0.022 0.000 0.247 192 R C 1.975 178.270 176.300 -0.008 0.000 1.151 192 R CA 1.253 57.367 56.100 0.023 0.000 0.971 192 R CB -0.559 29.737 30.300 -0.006 0.000 0.866 192 R HN 0.506 nan 8.270 nan 0.000 0.447 193 A N 0.565 123.349 122.820 -0.061 0.000 2.261 193 A HA -0.003 4.304 4.320 -0.022 0.000 0.208 193 A C 0.942 178.422 177.584 -0.173 0.000 1.223 193 A CA 0.480 52.467 52.037 -0.084 0.000 0.833 193 A CB -0.059 18.886 19.000 -0.092 0.000 0.830 193 A HN 0.189 nan 8.150 nan 0.000 0.483 194 N N -0.396 118.199 118.700 -0.174 0.000 2.291 194 N HA 0.122 4.849 4.740 -0.022 0.000 0.244 194 N C -0.771 174.472 175.510 -0.444 0.000 1.216 194 N CA -0.052 52.793 53.050 -0.341 0.000 0.879 194 N CB -0.081 38.365 38.487 -0.068 0.000 1.167 194 N HN 0.656 nan 8.380 nan 0.000 0.515 195 H N -1.846 117.152 119.070 -0.120 0.000 2.976 195 H HA -0.188 4.355 4.556 -0.021 0.000 0.273 195 H C -1.036 174.087 175.328 -0.342 0.000 1.259 195 H CA 0.450 56.361 56.048 -0.229 0.000 1.122 195 H CB -1.878 27.709 29.762 -0.292 0.000 1.298 195 H HN 0.214 nan 8.280 nan 0.000 0.379 196 Y N -0.463 119.894 120.300 0.095 0.000 2.602 196 Y HA 0.245 4.784 4.550 -0.018 0.000 0.342 196 Y C 1.440 177.365 175.900 0.041 0.000 1.029 196 Y CA -1.029 57.118 58.100 0.079 0.000 1.080 196 Y CB 1.110 39.631 38.460 0.102 0.000 1.284 196 Y HN 0.026 nan 8.280 nan 0.000 0.485 197 E N 0.577 120.908 120.200 0.218 0.000 2.208 197 E HA -0.029 4.308 4.350 -0.022 0.000 0.193 197 E C -0.642 176.011 176.600 0.088 0.000 0.988 197 E CA 1.473 57.941 56.400 0.112 0.000 0.828 197 E CB 0.163 29.911 29.700 0.080 0.000 0.763 197 E HN 0.742 nan 8.360 nan 0.000 0.478 198 D N -3.492 116.970 120.400 0.103 0.000 3.024 198 D HA -0.097 4.530 4.640 -0.022 0.000 0.354 198 D C 0.025 176.330 176.300 0.008 0.000 1.431 198 D CA -0.737 53.288 54.000 0.041 0.000 0.842 198 D CB -0.398 40.452 40.800 0.083 0.000 1.437 198 D HN -0.181 nan 8.370 nan 0.000 0.507 199 Y N 0.511 120.608 120.300 -0.338 0.000 2.263 199 Y HA 0.199 4.735 4.550 -0.022 0.000 0.292 199 Y C 2.192 177.950 175.900 -0.238 0.000 1.130 199 Y CA 2.291 60.058 58.100 -0.556 0.000 1.179 199 Y CB -0.626 37.066 38.460 -1.280 0.000 0.998 199 Y HN 0.568 nan 8.280 nan 0.000 0.532 200 G N -0.295 108.608 108.800 0.171 0.000 2.446 200 G HA2 -0.360 3.587 3.960 -0.022 0.000 0.217 200 G HA3 -0.360 3.587 3.960 -0.022 0.000 0.217 200 G C 1.396 176.395 174.900 0.166 0.000 1.168 200 G CA 1.182 46.519 45.100 0.396 0.000 0.771 200 G HN 0.458 nan 8.290 nan 0.000 0.551 201 D N -1.096 119.345 120.400 0.069 0.000 2.221 201 D HA -0.183 4.445 4.640 -0.022 0.000 0.204 201 D C 1.907 178.176 176.300 -0.052 0.000 0.982 201 D CA 0.818 54.840 54.000 0.037 0.000 0.857 201 D CB -0.220 40.652 40.800 0.121 0.000 0.934 201 D HN 0.366 nan 8.370 nan 0.000 0.475 202 Y N -0.220 119.856 120.300 -0.373 0.000 2.092 202 Y HA -0.122 4.415 4.550 -0.023 0.000 0.282 202 Y C 1.784 177.538 175.900 -0.243 0.000 1.126 202 Y CA 1.638 59.333 58.100 -0.675 0.000 1.111 202 Y CB -0.681 37.378 38.460 -0.667 0.000 0.987 202 Y HN 0.030 nan 8.280 nan 0.000 0.489 203 W N 1.115 122.220 121.300 -0.326 0.000 2.387 203 W HA -0.109 4.538 4.660 -0.022 0.000 0.272 203 W C 2.227 178.728 176.519 -0.031 0.000 1.224 203 W CA 1.246 58.447 57.345 -0.241 0.000 1.210 203 W CB -0.759 28.658 29.460 -0.072 0.000 1.125 203 W HN 0.189 nan 8.180 nan 0.000 0.572 204 R N -0.461 120.187 120.500 0.247 0.000 2.276 204 R HA 0.016 4.343 4.340 -0.022 0.000 0.203 204 R C 2.411 178.839 176.300 0.214 0.000 1.017 204 R CA 0.694 56.948 56.100 0.256 0.000 1.010 204 R CB -0.607 29.754 30.300 0.101 0.000 0.900 204 R HN 0.124 nan 8.270 nan 0.000 0.469 205 G N 1.500 110.323 108.800 0.038 0.000 2.511 205 G HA2 -0.364 3.583 3.960 -0.022 0.000 0.216 205 G HA3 -0.364 3.583 3.960 -0.022 0.000 0.216 205 G C 1.067 176.014 174.900 0.079 0.000 1.218 205 G CA 1.000 46.108 45.100 0.014 0.000 0.788 205 G HN 0.283 nan 8.290 nan 0.000 0.560 206 D N 0.130 120.513 120.400 -0.029 0.000 2.565 206 D HA -0.250 4.377 4.640 -0.022 0.000 0.189 206 D C 1.994 178.255 176.300 -0.065 0.000 1.052 206 D CA 1.493 55.438 54.000 -0.092 0.000 0.889 206 D CB -0.282 40.404 40.800 -0.190 0.000 0.911 206 D HN 0.454 nan 8.370 nan 0.000 0.464 207 Y N 0.688 121.047 120.300 0.099 0.000 2.561 207 Y HA 0.076 4.613 4.550 -0.022 0.000 0.291 207 Y C 1.164 177.368 175.900 0.506 0.000 1.141 207 Y CA 0.359 58.594 58.100 0.224 0.000 1.303 207 Y CB -0.097 38.441 38.460 0.130 0.000 1.015 207 Y HN 0.043 nan 8.280 nan 0.000 0.547 208 E N 1.323 121.800 120.200 0.461 0.000 2.373 208 E HA 0.313 4.650 4.350 -0.022 0.000 0.267 208 E C -0.903 175.849 176.600 0.252 0.000 1.032 208 E CA -0.351 56.278 56.400 0.383 0.000 0.889 208 E CB 0.830 30.690 29.700 0.267 0.000 0.984 208 E HN 0.001 nan 8.360 nan 0.000 0.425 209 V N 2.177 122.206 119.914 0.192 0.000 2.733 209 V HA 0.450 4.557 4.120 -0.022 0.000 0.306 209 V C -0.976 175.153 176.094 0.059 0.000 1.084 209 V CA -0.424 61.918 62.300 0.071 0.000 0.905 209 V CB 1.677 33.470 31.823 -0.050 0.000 1.010 209 V HN 0.924 nan 8.190 nan 0.000 0.424 210 N N 3.369 122.090 118.700 0.034 0.000 3.261 210 N HA 0.401 5.129 4.740 -0.022 0.000 0.217 210 N C 1.685 177.198 175.510 0.005 0.000 1.152 210 N CA 0.194 53.258 53.050 0.023 0.000 1.153 210 N CB -0.071 38.429 38.487 0.023 0.000 1.474 210 N HN 0.961 nan 8.380 nan 0.000 0.577 211 G N 2.274 111.072 108.800 -0.004 0.000 3.135 211 G HA2 -0.356 3.591 3.960 -0.022 0.000 0.315 211 G HA3 -0.356 3.591 3.960 -0.022 0.000 0.315 211 G C 0.457 175.341 174.900 -0.027 0.000 1.187 211 G CA 1.646 46.735 45.100 -0.019 0.000 1.089 211 G HN 0.216 nan 8.290 nan 0.000 0.972 212 V N 1.368 121.258 119.914 -0.040 0.000 2.740 212 V HA 0.340 4.447 4.120 -0.022 0.000 0.303 212 V C 0.203 176.302 176.094 0.008 0.000 1.054 212 V CA 0.119 62.383 62.300 -0.059 0.000 1.106 212 V CB 1.495 33.238 31.823 -0.134 0.000 0.957 212 V HN 0.519 nan 8.190 nan 0.000 0.486 213 D N 1.962 122.370 120.400 0.014 0.000 2.193 213 D HA 0.556 5.183 4.640 -0.022 0.000 0.244 213 D C 0.833 177.233 176.300 0.166 0.000 1.064 213 D CA 0.779 54.814 54.000 0.059 0.000 0.845 213 D CB 1.318 42.132 40.800 0.024 0.000 1.148 213 D HN 0.849 nan 8.370 nan 0.000 0.464 214 G N 2.527 111.411 108.800 0.141 0.000 2.199 214 G HA2 -0.325 3.622 3.960 -0.022 0.000 0.254 214 G HA3 -0.325 3.622 3.960 -0.022 0.000 0.254 214 G C 0.488 175.438 174.900 0.084 0.000 0.982 214 G CA 0.556 45.738 45.100 0.136 0.000 0.632 214 G HN 0.507 nan 8.290 nan 0.000 0.529 215 Y N 0.456 120.712 120.300 -0.073 0.000 2.448 215 Y HA 0.310 4.847 4.550 -0.022 0.000 0.257 215 Y C 1.203 177.028 175.900 -0.124 0.000 1.089 215 Y CA -0.694 57.336 58.100 -0.117 0.000 1.245 215 Y CB 0.317 38.700 38.460 -0.128 0.000 1.282 215 Y HN 0.367 nan 8.280 nan 0.000 0.529 216 D N 0.346 120.786 120.400 0.066 0.000 2.488 216 D HA -0.059 4.568 4.640 -0.022 0.000 0.238 216 D C -0.927 175.390 176.300 0.029 0.000 1.138 216 D CA 0.633 54.651 54.000 0.030 0.000 0.873 216 D CB 0.437 41.247 40.800 0.017 0.000 1.183 216 D HN 0.153 nan 8.370 nan 0.000 0.458 217 Y N 2.674 122.934 120.300 -0.066 0.000 2.406 217 Y HA 0.365 4.902 4.550 -0.022 0.000 0.340 217 Y C -0.625 175.312 175.900 0.062 0.000 0.975 217 Y CA -0.719 57.372 58.100 -0.014 0.000 1.056 217 Y CB 1.460 39.904 38.460 -0.027 0.000 1.210 217 Y HN 0.566 nan 8.280 nan 0.000 0.448 218 S N 4.612 120.158 115.700 -0.257 0.000 2.713 218 S HA 0.530 4.987 4.470 -0.022 0.000 0.283 218 S C 0.776 175.382 174.600 0.011 0.000 1.161 218 S CA -0.947 57.205 58.200 -0.080 0.000 0.999 218 S CB 2.130 65.252 63.200 -0.131 0.000 1.039 218 S HN 0.866 nan 8.310 nan 0.000 0.548 219 R N 0.654 121.200 120.500 0.077 0.000 2.057 219 R HA 0.016 4.343 4.340 -0.022 0.000 0.229 219 R C 2.471 178.763 176.300 -0.014 0.000 1.136 219 R CA 1.162 57.325 56.100 0.104 0.000 0.952 219 R CB -1.114 29.256 30.300 0.116 0.000 0.848 219 R HN 0.853 nan 8.270 nan 0.000 0.430 220 G N 0.954 109.717 108.800 -0.063 0.000 2.501 220 G HA2 -0.329 3.618 3.960 -0.022 0.000 0.220 220 G HA3 -0.329 3.618 3.960 -0.022 0.000 0.220 220 G C 1.334 176.147 174.900 -0.143 0.000 1.114 220 G CA 0.680 45.710 45.100 -0.118 0.000 0.757 220 G HN 0.253 nan 8.290 nan 0.000 0.559 221 Q N 0.032 119.730 119.800 -0.169 0.000 1.965 221 Q HA -0.006 4.322 4.340 -0.022 0.000 0.200 221 Q C 2.411 178.371 176.000 -0.067 0.000 0.981 221 Q CA 0.852 56.516 55.803 -0.233 0.000 0.834 221 Q CB -0.701 27.646 28.738 -0.651 0.000 0.900 221 Q HN 0.233 nan 8.270 nan 0.000 0.426 222 L N 0.459 121.767 121.223 0.142 0.000 2.149 222 L HA -0.306 4.021 4.340 -0.022 0.000 0.223 222 L C 1.949 178.767 176.870 -0.087 0.000 1.089 222 L CA 2.009 56.945 54.840 0.160 0.000 0.800 222 L CB -0.938 41.156 42.059 0.059 0.000 0.897 222 L HN 0.469 nan 8.230 nan 0.000 0.443 223 I N 0.385 120.826 120.570 -0.215 0.000 2.055 223 I HA -0.348 3.810 4.170 -0.022 0.000 0.228 223 I C 2.440 178.460 176.117 -0.161 0.000 1.050 223 I CA 1.755 62.866 61.300 -0.314 0.000 1.326 223 I CB -0.720 37.035 38.000 -0.407 0.000 1.077 223 I HN 0.359 nan 8.210 nan 0.000 0.392 224 E N 0.779 120.916 120.200 -0.106 0.000 2.444 224 E HA -0.296 4.041 4.350 -0.022 0.000 0.204 224 E C 1.160 177.771 176.600 0.018 0.000 1.049 224 E CA 1.721 58.104 56.400 -0.028 0.000 0.872 224 E CB -0.372 29.317 29.700 -0.018 0.000 0.791 224 E HN 0.481 nan 8.360 nan 0.000 0.548 225 D N 0.018 120.422 120.400 0.007 0.000 2.271 225 D HA -0.019 4.608 4.640 -0.022 0.000 0.206 225 D C 1.778 178.102 176.300 0.040 0.000 0.967 225 D CA 0.403 54.440 54.000 0.062 0.000 0.867 225 D CB 0.424 41.333 40.800 0.182 0.000 0.960 225 D HN 0.115 nan 8.370 nan 0.000 0.509 226 V N 1.065 120.917 119.914 -0.103 0.000 2.407 226 V HA -0.110 3.997 4.120 -0.022 0.000 0.245 226 V C 2.220 178.191 176.094 -0.205 0.000 1.041 226 V CA 1.071 63.172 62.300 -0.332 0.000 1.040 226 V CB -0.286 31.094 31.823 -0.739 0.000 0.671 226 V HN 0.161 nan 8.190 nan 0.000 0.455 227 E N 0.181 120.313 120.200 -0.113 0.000 2.019 227 E HA -0.301 4.036 4.350 -0.022 0.000 0.208 227 E C 2.183 178.922 176.600 0.231 0.000 1.030 227 E CA 1.997 58.446 56.400 0.081 0.000 0.856 227 E CB -0.865 28.893 29.700 0.096 0.000 0.781 227 E HN 0.670 nan 8.360 nan 0.000 0.471 228 H N 0.778 119.906 119.070 0.096 0.000 2.252 228 H HA -0.155 4.388 4.556 -0.021 0.000 0.292 228 H C 2.156 177.569 175.328 0.142 0.000 1.082 228 H CA 2.443 58.555 56.048 0.106 0.000 1.229 228 H CB -0.630 29.179 29.762 0.078 0.000 1.353 228 H HN 0.200 nan 8.280 nan 0.000 0.488 229 T N 0.019 114.878 114.554 0.507 0.000 2.869 229 T HA -0.185 4.152 4.350 -0.022 0.000 0.270 229 T C 1.724 176.663 174.700 0.399 0.000 1.082 229 T CA 1.262 63.620 62.100 0.429 0.000 1.123 229 T CB -0.701 68.380 68.868 0.354 0.000 0.856 229 T HN 0.303 nan 8.240 nan 0.000 0.499 230 F N 1.785 121.858 119.950 0.206 0.000 2.293 230 F HA 0.126 4.641 4.527 -0.021 0.000 0.297 230 F C 2.064 177.954 175.800 0.150 0.000 1.089 230 F CA 0.689 58.821 58.000 0.220 0.000 1.377 230 F CB -0.247 38.896 39.000 0.238 0.000 1.051 230 F HN 0.149 nan 8.300 nan 0.000 0.511 231 E N 0.729 120.950 120.200 0.036 0.000 2.012 231 E HA -0.250 4.087 4.350 -0.022 0.000 0.197 231 E C 1.973 178.496 176.600 -0.128 0.000 1.007 231 E CA 1.764 58.093 56.400 -0.118 0.000 0.816 231 E CB -0.908 28.729 29.700 -0.106 0.000 0.762 231 E HN 0.535 nan 8.360 nan 0.000 0.451 232 E N 0.194 120.353 120.200 -0.069 0.000 2.393 232 E HA -0.143 4.194 4.350 -0.022 0.000 0.201 232 E C 1.728 178.277 176.600 -0.084 0.000 1.025 232 E CA 0.266 56.624 56.400 -0.070 0.000 0.856 232 E CB 0.016 29.701 29.700 -0.025 0.000 0.771 232 E HN 0.198 nan 8.360 nan 0.000 0.526 233 I N 0.494 121.024 120.570 -0.066 0.000 3.035 233 I HA -0.088 4.069 4.170 -0.022 0.000 0.271 233 I C 1.892 177.959 176.117 -0.085 0.000 1.190 233 I CA 0.660 61.935 61.300 -0.041 0.000 1.472 233 I CB -0.349 37.718 38.000 0.112 0.000 1.116 233 I HN 0.033 nan 8.210 nan 0.000 0.443 234 K N 1.249 121.520 120.400 -0.216 0.000 1.991 234 K HA -0.160 4.147 4.320 -0.022 0.000 0.212 234 K C -0.279 176.334 176.600 0.022 0.000 1.049 234 K CA 1.604 57.811 56.287 -0.134 0.000 0.932 234 K CB -1.425 30.925 32.500 -0.250 0.000 0.717 234 K HN 0.180 nan 8.250 nan 0.000 0.441 235 P HA -0.239 nan 4.420 nan 0.000 0.214 235 P C 1.386 178.774 177.300 0.148 0.000 1.172 235 P CA 1.161 64.285 63.100 0.040 0.000 0.925 235 P CB -0.039 31.666 31.700 0.009 0.000 0.793 236 L N -2.269 118.945 121.223 -0.016 0.000 2.189 236 L HA -0.208 4.119 4.340 -0.022 0.000 0.214 236 L C 2.259 179.286 176.870 0.262 0.000 1.097 236 L CA 1.773 56.660 54.840 0.079 0.000 0.764 236 L CB -1.430 40.511 42.059 -0.197 0.000 0.900 236 L HN -0.019 nan 8.230 nan 0.000 0.436 237 Y N 0.522 120.891 120.300 0.114 0.000 2.138 237 Y HA -0.123 4.415 4.550 -0.021 0.000 0.286 237 Y C 2.332 178.430 175.900 0.331 0.000 1.115 237 Y CA 1.799 60.010 58.100 0.186 0.000 1.105 237 Y CB -0.576 37.987 38.460 0.172 0.000 1.004 237 Y HN 0.346 nan 8.280 nan 0.000 0.494 238 E N -0.346 119.963 120.200 0.180 0.000 2.055 238 E HA -0.356 3.981 4.350 -0.022 0.000 0.209 238 E C 2.091 178.840 176.600 0.249 0.000 1.036 238 E CA 2.135 58.602 56.400 0.112 0.000 0.849 238 E CB -0.767 28.952 29.700 0.032 0.000 0.767 238 E HN 0.695 nan 8.360 nan 0.000 0.461 239 H N 0.021 119.159 119.070 0.113 0.000 2.426 239 H HA -0.107 4.436 4.556 -0.022 0.000 0.298 239 H C 2.292 177.725 175.328 0.175 0.000 1.107 239 H CA 0.583 56.697 56.048 0.110 0.000 1.298 239 H CB 0.024 29.826 29.762 0.066 0.000 1.377 239 H HN 0.151 nan 8.280 nan 0.000 0.519 240 L N 0.991 122.411 121.223 0.327 0.000 2.179 240 L HA -0.142 4.185 4.340 -0.022 0.000 0.208 240 L C 2.346 179.446 176.870 0.384 0.000 1.096 240 L CA 1.554 56.573 54.840 0.298 0.000 0.779 240 L CB -0.710 41.504 42.059 0.259 0.000 0.922 240 L HN 0.417 nan 8.230 nan 0.000 0.443 241 H N 0.332 119.498 119.070 0.161 0.000 2.372 241 H HA 0.005 4.548 4.556 -0.022 0.000 0.301 241 H C 1.758 177.148 175.328 0.104 0.000 1.065 241 H CA 1.325 57.453 56.048 0.133 0.000 1.364 241 H CB 0.300 29.956 29.762 -0.176 0.000 1.406 241 H HN 0.344 nan 8.280 nan 0.000 0.521 242 A N 0.068 123.057 122.820 0.281 0.000 2.168 242 A HA -0.126 4.181 4.320 -0.022 0.000 0.215 242 A C 2.070 179.693 177.584 0.065 0.000 1.152 242 A CA 0.819 52.935 52.037 0.131 0.000 0.716 242 A CB -0.966 18.059 19.000 0.042 0.000 0.794 242 A HN 0.680 nan 8.150 nan 0.000 0.465 243 Y N -0.057 120.243 120.300 -0.000 0.000 2.436 243 Y HA 0.089 4.626 4.550 -0.022 0.000 0.288 243 Y C 1.669 177.551 175.900 -0.030 0.000 1.112 243 Y CA 1.264 59.362 58.100 -0.003 0.000 1.220 243 Y CB 0.394 38.903 38.460 0.081 0.000 1.073 243 Y HN 0.179 nan 8.280 nan 0.000 0.552 244 V N 0.227 120.203 119.914 0.103 0.000 3.514 244 V HA 0.181 4.288 4.120 -0.022 0.000 0.301 244 V C 1.549 177.489 176.094 -0.257 0.000 1.346 244 V CA 0.716 62.973 62.300 -0.072 0.000 1.156 244 V CB -0.664 31.178 31.823 0.032 0.000 1.029 244 V HN 0.487 nan 8.190 nan 0.000 0.428 245 R N 0.287 120.621 120.500 -0.275 0.000 2.237 245 R HA 0.492 4.819 4.340 -0.022 0.000 0.195 245 R C 1.788 177.960 176.300 -0.214 0.000 0.956 245 R CA 0.870 56.791 56.100 -0.298 0.000 1.029 245 R CB -0.214 29.907 30.300 -0.297 0.000 0.972 245 R HN 0.417 nan 8.270 nan 0.000 0.493 246 A N 2.877 125.561 122.820 -0.227 0.000 1.861 246 A HA -0.016 4.291 4.320 -0.022 0.000 0.214 246 A C 1.619 179.065 177.584 -0.230 0.000 1.322 246 A CA 0.909 52.810 52.037 -0.228 0.000 0.601 246 A CB -0.443 18.378 19.000 -0.299 0.000 0.966 246 A HN 0.249 nan 8.150 nan 0.000 0.471 247 K N -0.008 120.198 120.400 -0.322 0.000 2.521 247 K HA -0.105 4.202 4.320 -0.022 0.000 0.198 247 K C 1.449 177.962 176.600 -0.145 0.000 1.046 247 K CA 0.656 56.794 56.287 -0.249 0.000 0.931 247 K CB -0.376 31.938 32.500 -0.309 0.000 0.764 247 K HN 0.388 nan 8.250 nan 0.000 0.487 248 L N -0.131 121.016 121.223 -0.126 0.000 2.298 248 L HA 0.045 4.373 4.340 -0.022 0.000 0.209 248 L C 2.079 178.986 176.870 0.063 0.000 1.084 248 L CA 0.613 55.442 54.840 -0.018 0.000 0.816 248 L CB -0.052 41.940 42.059 -0.111 0.000 0.967 248 L HN 0.278 nan 8.230 nan 0.000 0.460 249 M N -0.522 119.061 119.600 -0.029 0.000 2.132 249 M HA -0.232 4.235 4.480 -0.022 0.000 0.263 249 M C 1.725 178.015 176.300 -0.017 0.000 1.065 249 M CA 1.720 57.019 55.300 -0.003 0.000 1.122 249 M CB -0.531 32.034 32.600 -0.059 0.000 1.365 249 M HN 0.238 nan 8.290 nan 0.000 0.411 250 N N 0.318 118.975 118.700 -0.071 0.000 2.417 250 N HA -0.132 4.595 4.740 -0.022 0.000 0.187 250 N C 0.706 176.142 175.510 -0.122 0.000 1.027 250 N CA 1.338 54.330 53.050 -0.097 0.000 0.891 250 N CB 0.148 38.563 38.487 -0.119 0.000 0.956 250 N HN 0.323 nan 8.380 nan 0.000 0.442 251 A N -1.496 121.234 122.820 -0.149 0.000 2.624 251 A HA 0.311 4.618 4.320 -0.022 0.000 0.287 251 A C -0.870 176.301 177.584 -0.688 0.000 1.087 251 A CA -0.411 51.404 52.037 -0.370 0.000 0.964 251 A CB 0.281 19.026 19.000 -0.425 0.000 1.231 251 A HN 0.351 nan 8.150 nan 0.000 0.551 252 Y N -0.002 120.329 120.300 0.053 0.000 3.097 252 Y HA 0.191 4.728 4.550 -0.021 0.000 0.233 252 Y C -2.725 173.258 175.900 0.138 0.000 0.867 252 Y CA -2.253 55.955 58.100 0.179 0.000 1.133 252 Y CB 0.410 38.997 38.460 0.212 0.000 1.231 252 Y HN 0.176 nan 8.280 nan 0.000 0.646 253 P HA -0.007 nan 4.420 nan 0.000 0.264 253 P C 0.798 178.015 177.300 -0.139 0.000 1.183 253 P CA 1.765 64.853 63.100 -0.021 0.000 0.763 253 P CB 1.739 33.402 31.700 -0.061 0.000 0.807 254 S N 0.636 116.260 115.700 -0.127 0.000 2.765 254 S HA -0.238 4.219 4.470 -0.022 0.000 0.266 254 S C 0.443 174.904 174.600 -0.231 0.000 1.302 254 S CA 0.967 59.035 58.200 -0.219 0.000 1.274 254 S CB -3.056 59.920 63.200 -0.373 0.000 1.559 254 S HN 0.562 nan 8.310 nan 0.000 0.658 255 Y N 0.910 121.216 120.300 0.010 0.000 2.581 255 Y HA 0.578 5.115 4.550 -0.022 0.000 0.271 255 Y C 1.054 177.078 175.900 0.207 0.000 1.100 255 Y CA -0.220 57.902 58.100 0.035 0.000 1.281 255 Y CB 0.679 39.074 38.460 -0.110 0.000 1.237 255 Y HN 0.415 nan 8.280 nan 0.000 0.514 256 I N -0.139 120.563 120.570 0.219 0.000 2.447 256 I HA 0.190 4.347 4.170 -0.022 0.000 0.287 256 I C -0.187 175.799 176.117 -0.220 0.000 1.023 256 I CA -0.873 60.396 61.300 -0.052 0.000 1.083 256 I CB 1.848 39.783 38.000 -0.108 0.000 1.245 256 I HN -0.181 nan 8.210 nan 0.000 0.434 257 S N 6.656 121.994 115.700 -0.602 0.000 2.533 257 S HA 0.235 4.692 4.470 -0.022 0.000 0.282 257 S C -1.835 172.555 174.600 -0.349 0.000 1.304 257 S CA -0.846 57.069 58.200 -0.475 0.000 1.063 257 S CB 0.557 63.220 63.200 -0.894 0.000 0.881 257 S HN 0.392 nan 8.310 nan 0.000 0.493 258 P HA 0.212 nan 4.420 nan 0.000 0.279 258 P C 0.226 177.530 177.300 0.007 0.000 1.451 258 P CA 0.501 63.550 63.100 -0.085 0.000 0.783 258 P CB -0.181 31.482 31.700 -0.061 0.000 1.490 259 I N -2.818 117.721 120.570 -0.051 0.000 4.245 259 I HA 0.300 4.457 4.170 -0.022 0.000 0.352 259 I C -0.395 175.793 176.117 0.118 0.000 1.298 259 I CA -0.040 61.345 61.300 0.142 0.000 1.147 259 I CB 0.809 38.800 38.000 -0.015 0.000 1.880 259 I HN -0.077 nan 8.210 nan 0.000 0.665 260 G N 1.897 110.612 108.800 -0.142 0.000 2.618 260 G HA2 0.356 4.303 3.960 -0.022 0.000 0.289 260 G HA3 0.356 4.303 3.960 -0.022 0.000 0.289 260 G C 0.061 174.887 174.900 -0.123 0.000 1.493 260 G CA -0.294 44.765 45.100 -0.067 0.000 1.133 260 G HN 0.442 nan 8.290 nan 0.000 0.578 261 C N 1.333 120.705 119.300 0.120 0.000 0.585 261 C HA -0.149 4.298 4.460 -0.022 0.000 0.548 261 C C 1.022 175.992 174.990 -0.035 0.000 1.158 261 C CA -1.151 57.895 59.018 0.047 0.000 2.082 261 C CB -2.565 25.091 27.740 -0.141 0.000 3.581 261 C HN 0.822 nan 8.230 nan 0.000 0.476 262 L N 5.846 126.988 121.223 -0.135 0.000 2.535 262 L HA 0.236 4.563 4.340 -0.022 0.000 0.301 262 L C -1.080 175.757 176.870 -0.055 0.000 1.275 262 L CA -0.129 54.600 54.840 -0.186 0.000 0.843 262 L CB -0.502 41.361 42.059 -0.326 0.000 1.094 262 L HN 0.561 nan 8.230 nan 0.000 0.532 263 P HA 0.063 nan 4.420 nan 0.000 0.276 263 P C -0.019 177.192 177.300 -0.147 0.000 1.230 263 P CA -0.301 62.781 63.100 -0.032 0.000 0.776 263 P CB 1.174 32.876 31.700 0.002 0.000 0.888 264 A N 3.478 126.278 122.820 -0.034 0.000 2.093 264 A HA -0.211 4.096 4.320 -0.022 0.000 0.222 264 A C 1.566 179.128 177.584 -0.036 0.000 1.162 264 A CA 1.595 53.682 52.037 0.083 0.000 0.655 264 A CB -1.385 17.860 19.000 0.408 0.000 0.805 264 A HN 0.759 nan 8.150 nan 0.000 0.461 265 H N -1.627 117.113 119.070 -0.550 0.000 2.551 265 H HA 0.349 4.892 4.556 -0.022 0.000 0.271 265 H C 0.825 175.962 175.328 -0.318 0.000 0.984 265 H CA 0.239 56.050 56.048 -0.395 0.000 1.164 265 H CB -0.571 28.831 29.762 -0.599 0.000 1.437 265 H HN 0.480 nan 8.280 nan 0.000 0.550 266 L N 0.709 121.551 121.223 -0.636 0.000 2.857 266 L HA 0.250 4.578 4.340 -0.022 0.000 0.249 266 L C 1.474 178.132 176.870 -0.353 0.000 1.172 266 L CA -0.059 54.430 54.840 -0.584 0.000 0.980 266 L CB 0.243 41.784 42.059 -0.863 0.000 1.299 266 L HN 0.057 nan 8.230 nan 0.000 0.535 267 L N 0.736 121.804 121.223 -0.259 0.000 2.465 267 L HA 0.097 4.424 4.340 -0.022 0.000 0.224 267 L C 1.605 178.435 176.870 -0.067 0.000 1.145 267 L CA 1.061 55.751 54.840 -0.250 0.000 0.834 267 L CB -0.314 41.687 42.059 -0.097 0.000 0.944 267 L HN 0.571 nan 8.230 nan 0.000 0.451 268 G N 0.145 108.937 108.800 -0.014 0.000 2.184 268 G HA2 -0.196 3.751 3.960 -0.022 0.000 0.206 268 G HA3 -0.196 3.751 3.960 -0.022 0.000 0.206 268 G C -0.331 174.620 174.900 0.086 0.000 0.995 268 G CA 0.035 45.174 45.100 0.065 0.000 0.651 268 G HN 0.499 nan 8.290 nan 0.000 0.511 269 D N -2.619 117.822 120.400 0.068 0.000 2.766 269 D HA 0.346 4.973 4.640 -0.022 0.000 0.244 269 D C 0.769 177.018 176.300 -0.085 0.000 1.198 269 D CA -0.110 53.905 54.000 0.025 0.000 0.739 269 D CB -0.220 40.664 40.800 0.141 0.000 1.379 269 D HN 0.266 nan 8.370 nan 0.000 0.437 270 M N 0.282 119.648 119.600 -0.391 0.000 2.208 270 M HA -0.155 4.312 4.480 -0.022 0.000 0.248 270 M C 0.214 176.005 176.300 -0.849 0.000 1.097 270 M CA 2.155 56.927 55.300 -0.879 0.000 1.057 270 M CB -0.411 31.075 32.600 -1.855 0.000 1.357 270 M HN 0.650 nan 8.290 nan 0.000 0.398 271 W N -2.858 118.501 121.300 0.098 0.000 2.835 271 W HA 0.501 5.149 4.660 -0.021 0.000 0.278 271 W C 1.403 177.949 176.519 0.045 0.000 1.075 271 W CA 0.480 57.897 57.345 0.121 0.000 1.439 271 W CB -0.481 29.017 29.460 0.063 0.000 0.927 271 W HN 0.376 nan 8.180 nan 0.000 0.604 272 G N 1.825 110.717 108.800 0.153 0.000 2.132 272 G HA2 -0.378 3.569 3.960 -0.022 0.000 0.234 272 G HA3 -0.378 3.569 3.960 -0.022 0.000 0.234 272 G C 1.103 175.878 174.900 -0.208 0.000 0.989 272 G CA 0.624 45.835 45.100 0.186 0.000 0.676 272 G HN 0.287 nan 8.290 nan 0.000 0.522 273 R N -0.641 119.406 120.500 -0.756 0.000 2.096 273 R HA 0.188 4.515 4.340 -0.022 0.000 0.235 273 R C 0.127 175.782 176.300 -1.074 0.000 1.127 273 R CA 1.181 56.343 56.100 -1.565 0.000 0.968 273 R CB -0.084 29.498 30.300 -1.197 0.000 0.861 273 R HN 0.390 nan 8.270 nan 0.000 0.440 274 F N -0.981 118.911 119.950 -0.097 0.000 2.539 274 F HA 0.262 4.776 4.527 -0.022 0.000 0.328 274 F C -0.701 175.251 175.800 0.253 0.000 1.148 274 F CA -1.195 56.811 58.000 0.008 0.000 0.940 274 F CB 1.429 40.431 39.000 0.003 0.000 1.194 274 F HN -0.048 nan 8.300 nan 0.000 0.438 275 W N 1.943 123.344 121.300 0.168 0.000 3.433 275 W HA 0.146 4.793 4.660 -0.021 0.000 0.376 275 W C 1.713 178.318 176.519 0.145 0.000 1.160 275 W CA -0.400 57.025 57.345 0.133 0.000 1.832 275 W CB -1.125 28.411 29.460 0.128 0.000 1.011 275 W HN 0.461 nan 8.180 nan 0.000 0.766 276 T N -0.369 114.394 114.554 0.348 0.000 2.995 276 T HA -0.096 4.241 4.350 -0.022 0.000 0.269 276 T C 1.389 176.206 174.700 0.196 0.000 1.091 276 T CA 1.446 63.675 62.100 0.216 0.000 1.128 276 T CB -0.064 68.865 68.868 0.103 0.000 0.891 276 T HN 0.239 nan 8.240 nan 0.000 0.492 277 N N -0.066 118.749 118.700 0.193 0.000 2.422 277 N HA 0.083 4.811 4.740 -0.022 0.000 0.181 277 N C 0.139 175.748 175.510 0.165 0.000 1.080 277 N CA -0.051 53.093 53.050 0.157 0.000 0.893 277 N CB 0.118 38.671 38.487 0.110 0.000 0.973 277 N HN 0.213 nan 8.380 nan 0.000 0.456 278 L N 0.992 122.323 121.223 0.180 0.000 2.777 278 L HA 0.014 4.341 4.340 -0.022 0.000 0.244 278 L C 0.956 177.941 176.870 0.192 0.000 1.235 278 L CA 0.473 55.393 54.840 0.134 0.000 1.062 278 L CB -1.233 40.876 42.059 0.082 0.000 1.340 278 L HN 0.224 nan 8.230 nan 0.000 0.439 279 Y N -0.396 119.954 120.300 0.083 0.000 2.243 279 Y HA -0.124 4.413 4.550 -0.021 0.000 0.293 279 Y C 2.394 178.330 175.900 0.061 0.000 1.124 279 Y CA 1.214 59.362 58.100 0.080 0.000 1.159 279 Y CB 0.108 38.610 38.460 0.070 0.000 1.008 279 Y HN 0.215 nan 8.280 nan 0.000 0.527 280 S N -0.068 115.574 115.700 -0.097 0.000 2.453 280 S HA -0.066 4.392 4.470 -0.022 0.000 0.231 280 S C 1.548 176.069 174.600 -0.133 0.000 1.005 280 S CA 0.957 59.059 58.200 -0.163 0.000 0.949 280 S CB -0.185 62.986 63.200 -0.049 0.000 0.774 280 S HN 0.248 nan 8.310 nan 0.000 0.510 281 L N 1.169 122.348 121.223 -0.073 0.000 2.529 281 L HA 0.155 4.482 4.340 -0.022 0.000 0.223 281 L C 2.108 178.936 176.870 -0.070 0.000 1.113 281 L CA 1.108 55.910 54.840 -0.063 0.000 0.861 281 L CB -0.682 41.369 42.059 -0.014 0.000 1.012 281 L HN 0.438 nan 8.230 nan 0.000 0.461 282 T N -5.996 108.527 114.554 -0.052 0.000 3.016 282 T HA 0.179 4.516 4.350 -0.022 0.000 0.271 282 T C 0.571 175.291 174.700 0.033 0.000 0.968 282 T CA -0.135 61.995 62.100 0.049 0.000 0.891 282 T CB -0.171 68.841 68.868 0.240 0.000 1.149 282 T HN -0.130 nan 8.240 nan 0.000 0.524 283 V N 5.553 125.317 119.914 -0.251 0.000 2.583 283 V HA 0.110 4.217 4.120 -0.022 0.000 0.302 283 V C -0.605 175.417 176.094 -0.120 0.000 1.033 283 V CA -0.950 61.145 62.300 -0.341 0.000 1.194 283 V CB 1.161 32.649 31.823 -0.558 0.000 0.879 283 V HN 0.248 nan 8.190 nan 0.000 0.482 284 P HA -0.051 nan 4.420 nan 0.000 0.219 284 P C 0.094 176.892 177.300 -0.836 0.000 1.150 284 P CA 1.306 64.177 63.100 -0.382 0.000 0.814 284 P CB 0.056 31.405 31.700 -0.584 0.000 0.787 285 F N -1.130 118.877 119.950 0.094 0.000 2.627 285 F HA 0.451 4.965 4.527 -0.022 0.000 0.344 285 F C 1.597 177.412 175.800 0.026 0.000 1.505 285 F CA -0.868 57.176 58.000 0.073 0.000 1.111 285 F CB -0.097 38.950 39.000 0.077 0.000 1.585 285 F HN -0.219 nan 8.300 nan 0.000 0.582 286 G N 0.522 109.360 108.800 0.065 0.000 2.689 286 G HA2 -0.249 3.698 3.960 -0.022 0.000 0.216 286 G HA3 -0.249 3.698 3.960 -0.022 0.000 0.216 286 G C 1.240 176.166 174.900 0.044 0.000 1.119 286 G CA 1.302 46.409 45.100 0.012 0.000 0.732 286 G HN 0.554 nan 8.290 nan 0.000 0.576 287 Q N -0.726 119.126 119.800 0.087 0.000 2.352 287 Q HA 0.315 4.642 4.340 -0.022 0.000 0.212 287 Q C 1.054 177.092 176.000 0.063 0.000 0.888 287 Q CA 0.049 55.891 55.803 0.064 0.000 0.934 287 Q CB 0.283 29.059 28.738 0.062 0.000 1.093 287 Q HN 0.063 nan 8.270 nan 0.000 0.523 288 K N 1.812 122.265 120.400 0.088 0.000 2.120 288 K HA 0.295 4.602 4.320 -0.022 0.000 0.245 288 K C -2.221 174.413 176.600 0.057 0.000 1.024 288 K CA -2.004 54.321 56.287 0.062 0.000 0.906 288 K CB -0.307 32.233 32.500 0.067 0.000 1.051 288 K HN 0.006 nan 8.250 nan 0.000 0.491 289 P HA -0.047 nan 4.420 nan 0.000 0.257 289 P C -0.179 177.150 177.300 0.049 0.000 1.189 289 P CA 0.321 63.438 63.100 0.027 0.000 0.780 289 P CB -0.054 31.649 31.700 0.005 0.000 0.772 290 N N 2.892 121.626 118.700 0.057 0.000 2.219 290 N HA -0.127 4.600 4.740 -0.022 0.000 0.263 290 N C 0.357 175.910 175.510 0.073 0.000 1.269 290 N CA -0.147 52.964 53.050 0.100 0.000 0.831 290 N CB 0.237 38.771 38.487 0.078 0.000 1.059 290 N HN 0.276 nan 8.380 nan 0.000 0.475 291 I N 2.562 123.207 120.570 0.127 0.000 3.856 291 I HA 0.115 4.272 4.170 -0.022 0.000 0.333 291 I C -0.327 175.768 176.117 -0.036 0.000 1.525 291 I CA 0.143 61.461 61.300 0.030 0.000 1.173 291 I CB -0.226 37.815 38.000 0.067 0.000 1.175 291 I HN 0.451 nan 8.210 nan 0.000 0.424 292 D N 0.530 120.930 120.400 0.001 0.000 2.634 292 D HA 0.053 4.681 4.640 -0.022 0.000 0.318 292 D C 1.078 177.327 176.300 -0.086 0.000 1.226 292 D CA -0.161 53.810 54.000 -0.049 0.000 0.899 292 D CB 0.464 41.313 40.800 0.081 0.000 1.025 292 D HN 0.068 nan 8.370 nan 0.000 0.501 293 V N 1.142 120.951 119.914 -0.175 0.000 3.253 293 V HA -0.082 4.025 4.120 -0.022 0.000 0.273 293 V C 1.605 177.533 176.094 -0.277 0.000 1.221 293 V CA 1.415 63.565 62.300 -0.250 0.000 1.249 293 V CB -1.526 30.063 31.823 -0.390 0.000 1.011 293 V HN 0.374 nan 8.190 nan 0.000 0.486 294 T N -0.115 114.335 114.554 -0.173 0.000 2.985 294 T HA -0.120 4.217 4.350 -0.022 0.000 0.266 294 T C 1.424 176.056 174.700 -0.114 0.000 1.076 294 T CA 1.765 63.780 62.100 -0.141 0.000 1.135 294 T CB -0.208 68.619 68.868 -0.067 0.000 0.890 294 T HN 0.788 nan 8.240 nan 0.000 0.480 295 D N 1.010 121.355 120.400 -0.091 0.000 2.144 295 D HA 0.092 4.719 4.640 -0.022 0.000 0.207 295 D C 2.461 178.715 176.300 -0.076 0.000 0.970 295 D CA 1.058 55.023 54.000 -0.058 0.000 0.853 295 D CB -0.429 40.353 40.800 -0.030 0.000 1.007 295 D HN 0.479 nan 8.370 nan 0.000 0.469 296 A N 1.429 124.185 122.820 -0.106 0.000 1.997 296 A HA -0.217 4.090 4.320 -0.022 0.000 0.221 296 A C 2.255 179.763 177.584 -0.127 0.000 1.172 296 A CA 1.483 53.458 52.037 -0.104 0.000 0.645 296 A CB -0.722 18.195 19.000 -0.139 0.000 0.813 296 A HN 0.162 nan 8.150 nan 0.000 0.454 297 M N -0.987 118.459 119.600 -0.255 0.000 2.175 297 M HA -0.124 4.343 4.480 -0.022 0.000 0.264 297 M C 2.001 178.300 176.300 -0.001 0.000 1.063 297 M CA 1.348 56.428 55.300 -0.365 0.000 1.119 297 M CB -0.278 32.019 32.600 -0.504 0.000 1.377 297 M HN 0.299 nan 8.290 nan 0.000 0.415 298 V N -0.760 119.155 119.914 0.002 0.000 2.407 298 V HA -0.178 3.929 4.120 -0.022 0.000 0.245 298 V C 0.825 176.967 176.094 0.080 0.000 1.041 298 V CA 1.329 63.665 62.300 0.061 0.000 1.040 298 V CB -0.566 31.275 31.823 0.029 0.000 0.671 298 V HN 0.320 nan 8.190 nan 0.000 0.455 299 D N 0.190 120.622 120.400 0.053 0.000 2.826 299 D HA 0.060 4.687 4.640 -0.022 0.000 0.247 299 D C 1.144 177.500 176.300 0.093 0.000 1.238 299 D CA 0.603 54.637 54.000 0.056 0.000 0.894 299 D CB 0.280 41.098 40.800 0.030 0.000 1.100 299 D HN 0.551 nan 8.370 nan 0.000 0.453 300 Q N -1.155 118.738 119.800 0.155 0.000 1.752 300 Q HA 0.180 4.507 4.340 -0.022 0.000 0.169 300 Q C -0.196 175.932 176.000 0.214 0.000 0.747 300 Q CA 0.238 56.170 55.803 0.214 0.000 0.814 300 Q CB 0.719 29.691 28.738 0.390 0.000 1.218 300 Q HN 0.144 nan 8.270 nan 0.000 0.384 301 A N 0.646 123.586 122.820 0.200 0.000 2.519 301 A HA -0.199 4.108 4.320 -0.022 0.000 0.297 301 A C -0.838 176.869 177.584 0.205 0.000 1.472 301 A CA 0.879 53.013 52.037 0.161 0.000 0.739 301 A CB -2.051 16.999 19.000 0.083 0.000 1.096 301 A HN 0.422 nan 8.150 nan 0.000 0.414 302 W N 1.018 122.339 121.300 0.034 0.000 2.238 302 W HA 0.508 5.155 4.660 -0.022 0.000 0.321 302 W C 0.628 177.192 176.519 0.075 0.000 1.293 302 W CA 0.666 58.045 57.345 0.057 0.000 1.204 302 W CB 0.689 30.182 29.460 0.055 0.000 1.167 302 W HN 0.693 nan 8.180 nan 0.000 0.553 303 D N 0.907 121.469 120.400 0.270 0.000 2.650 303 D HA 0.570 5.197 4.640 -0.022 0.000 0.255 303 D C 0.923 177.399 176.300 0.293 0.000 1.135 303 D CA -0.426 53.710 54.000 0.227 0.000 1.099 303 D CB 0.088 40.972 40.800 0.139 0.000 1.273 303 D HN 0.318 nan 8.370 nan 0.000 0.628 304 A N -0.191 122.790 122.820 0.268 0.000 1.837 304 A HA -0.304 4.003 4.320 -0.022 0.000 0.216 304 A C 2.085 179.944 177.584 0.459 0.000 1.210 304 A CA 3.032 55.287 52.037 0.363 0.000 0.632 304 A CB -1.461 17.704 19.000 0.274 0.000 0.843 304 A HN 0.757 nan 8.150 nan 0.000 0.448 305 Q N -0.915 119.107 119.800 0.370 0.000 1.991 305 Q HA -0.368 3.959 4.340 -0.022 0.000 0.213 305 Q C 2.181 178.414 176.000 0.388 0.000 1.022 305 Q CA 3.148 59.202 55.803 0.418 0.000 0.877 305 Q CB -0.283 28.580 28.738 0.209 0.000 0.970 305 Q HN 0.529 nan 8.270 nan 0.000 0.414 306 R N 0.194 120.814 120.500 0.199 0.000 2.178 306 R HA -0.206 4.121 4.340 -0.022 0.000 0.257 306 R C 1.930 178.389 176.300 0.265 0.000 1.163 306 R CA 2.298 58.434 56.100 0.060 0.000 0.981 306 R CB -0.734 29.451 30.300 -0.193 0.000 0.878 306 R HN 0.594 nan 8.270 nan 0.000 0.454 307 I N -1.034 119.827 120.570 0.485 0.000 2.130 307 I HA -0.208 3.949 4.170 -0.022 0.000 0.234 307 I C 1.674 178.017 176.117 0.377 0.000 1.067 307 I CA 1.362 63.000 61.300 0.563 0.000 1.339 307 I CB -0.372 37.883 38.000 0.426 0.000 1.073 307 I HN 0.071 nan 8.210 nan 0.000 0.405 308 F N 1.106 121.280 119.950 0.372 0.000 2.605 308 F HA -0.195 4.319 4.527 -0.022 0.000 0.296 308 F C 2.231 178.296 175.800 0.441 0.000 1.146 308 F CA 1.143 59.342 58.000 0.332 0.000 1.478 308 F CB -0.309 38.870 39.000 0.297 0.000 1.107 308 F HN -0.002 nan 8.300 nan 0.000 0.600 309 K N -0.017 120.739 120.400 0.594 0.000 2.244 309 K HA -0.005 4.302 4.320 -0.022 0.000 0.200 309 K C 1.832 178.629 176.600 0.328 0.000 1.052 309 K CA 0.534 57.119 56.287 0.496 0.000 0.980 309 K CB 0.061 32.742 32.500 0.301 0.000 0.838 309 K HN -0.086 nan 8.250 nan 0.000 0.481 310 E N -0.161 120.241 120.200 0.336 0.000 2.347 310 E HA 0.070 4.407 4.350 -0.022 0.000 0.196 310 E C 1.302 178.086 176.600 0.307 0.000 1.008 310 E CA 0.943 57.564 56.400 0.368 0.000 0.852 310 E CB 0.101 30.171 29.700 0.617 0.000 0.783 310 E HN 0.346 nan 8.360 nan 0.000 0.505 311 A N 0.483 123.404 122.820 0.169 0.000 1.861 311 A HA -0.076 4.231 4.320 -0.022 0.000 0.212 311 A C 2.118 179.672 177.584 -0.050 0.000 1.199 311 A CA 1.146 53.049 52.037 -0.222 0.000 0.613 311 A CB -0.571 18.227 19.000 -0.336 0.000 0.846 311 A HN 0.330 nan 8.150 nan 0.000 0.446 312 E N 0.062 120.359 120.200 0.160 0.000 2.209 312 E HA -0.293 4.044 4.350 -0.022 0.000 0.196 312 E C 1.806 178.534 176.600 0.213 0.000 0.993 312 E CA 1.650 58.192 56.400 0.236 0.000 0.819 312 E CB -0.055 29.798 29.700 0.255 0.000 0.745 312 E HN 0.393 nan 8.360 nan 0.000 0.477 313 K N 0.079 120.593 120.400 0.190 0.000 2.211 313 K HA -0.132 4.175 4.320 -0.022 0.000 0.203 313 K C 1.632 178.303 176.600 0.119 0.000 1.050 313 K CA 0.893 57.276 56.287 0.160 0.000 0.945 313 K CB -0.517 32.094 32.500 0.185 0.000 0.732 313 K HN 0.168 nan 8.250 nan 0.000 0.451 314 F N -0.134 119.756 119.950 -0.100 0.000 2.074 314 F HA -0.025 4.489 4.527 -0.022 0.000 0.293 314 F C 1.450 177.089 175.800 -0.268 0.000 1.116 314 F CA 1.427 59.275 58.000 -0.253 0.000 1.212 314 F CB -0.376 38.301 39.000 -0.538 0.000 0.998 314 F HN -0.025 nan 8.300 nan 0.000 0.471 315 F N -0.386 119.566 119.950 0.004 0.000 2.120 315 F HA -0.212 4.302 4.527 -0.021 0.000 0.300 315 F C 2.611 178.345 175.800 -0.110 0.000 1.095 315 F CA 1.573 59.525 58.000 -0.079 0.000 1.249 315 F CB -1.467 37.488 39.000 -0.075 0.000 0.995 315 F HN -0.083 nan 8.300 nan 0.000 0.480 316 V N -0.211 119.762 119.914 0.100 0.000 2.913 316 V HA -0.194 3.913 4.120 -0.022 0.000 0.260 316 V C 2.238 178.316 176.094 -0.027 0.000 1.098 316 V CA 1.974 64.300 62.300 0.045 0.000 1.121 316 V CB -0.653 31.206 31.823 0.060 0.000 0.714 316 V HN 0.505 nan 8.190 nan 0.000 0.487 317 S N 0.181 115.808 115.700 -0.121 0.000 2.496 317 S HA -0.002 4.455 4.470 -0.022 0.000 0.224 317 S C 1.025 175.512 174.600 -0.188 0.000 0.996 317 S CA 0.803 58.901 58.200 -0.169 0.000 0.927 317 S CB 0.150 63.190 63.200 -0.267 0.000 0.774 317 S HN 0.998 nan 8.310 nan 0.000 0.524 318 V N -1.986 117.809 119.914 -0.199 0.000 2.592 318 V HA 0.814 4.921 4.120 -0.022 0.000 0.278 318 V C 0.968 177.053 176.094 -0.014 0.000 1.087 318 V CA -0.356 61.864 62.300 -0.134 0.000 1.282 318 V CB -0.800 30.899 31.823 -0.207 0.000 1.543 318 V HN 0.636 nan 8.190 nan 0.000 0.606 319 G N 1.468 110.275 108.800 0.011 0.000 3.594 319 G HA2 -0.240 3.707 3.960 -0.022 0.000 0.285 319 G HA3 -0.240 3.707 3.960 -0.022 0.000 0.285 319 G C 0.037 175.006 174.900 0.116 0.000 1.551 319 G CA -0.198 44.947 45.100 0.075 0.000 1.061 319 G HN 0.777 nan 8.290 nan 0.000 0.624 320 L N 3.216 124.550 121.223 0.185 0.000 4.122 320 L HA -0.058 4.269 4.340 -0.022 0.000 0.514 320 L C -0.583 176.335 176.870 0.081 0.000 1.153 320 L CA 1.232 56.155 54.840 0.138 0.000 0.612 320 L CB -1.211 40.889 42.059 0.067 0.000 0.786 320 L HN 0.565 nan 8.230 nan 0.000 0.977 321 P HA -0.012 nan 4.420 nan 0.000 0.273 321 P C -0.358 176.926 177.300 -0.027 0.000 1.258 321 P CA -0.340 62.760 63.100 -0.000 0.000 0.802 321 P CB 0.573 32.252 31.700 -0.035 0.000 1.040 322 N N -0.196 118.495 118.700 -0.016 0.000 2.495 322 N HA 0.236 4.963 4.740 -0.022 0.000 0.280 322 N C 0.502 175.966 175.510 -0.076 0.000 1.168 322 N CA -0.537 52.519 53.050 0.010 0.000 0.978 322 N CB 0.168 38.701 38.487 0.077 0.000 1.191 322 N HN 0.357 nan 8.380 nan 0.000 0.497 323 M N 0.870 120.402 119.600 -0.114 0.000 2.252 323 M HA 0.011 4.478 4.480 -0.022 0.000 0.333 323 M C 0.983 177.227 176.300 -0.094 0.000 1.111 323 M CA 0.076 55.159 55.300 -0.361 0.000 1.140 323 M CB -0.599 31.489 32.600 -0.854 0.000 1.538 323 M HN 0.574 nan 8.290 nan 0.000 0.448 324 T N -0.425 114.048 114.554 -0.135 0.000 2.918 324 T HA 0.078 4.415 4.350 -0.022 0.000 0.302 324 T C 0.877 175.711 174.700 0.223 0.000 1.045 324 T CA -0.552 61.568 62.100 0.033 0.000 1.114 324 T CB 0.762 69.622 68.868 -0.013 0.000 0.965 324 T HN 0.745 nan 8.240 nan 0.000 0.540 325 Q N 1.662 121.602 119.800 0.235 0.000 2.439 325 Q HA -0.045 4.282 4.340 -0.022 0.000 0.211 325 Q C 1.980 178.128 176.000 0.246 0.000 0.978 325 Q CA 1.447 57.424 55.803 0.291 0.000 0.897 325 Q CB -0.785 28.058 28.738 0.175 0.000 0.956 325 Q HN 1.012 nan 8.270 nan 0.000 0.483 326 G N 0.033 108.952 108.800 0.197 0.000 2.453 326 G HA2 -0.217 3.730 3.960 -0.022 0.000 0.215 326 G HA3 -0.217 3.730 3.960 -0.022 0.000 0.215 326 G C 1.024 176.011 174.900 0.145 0.000 1.147 326 G CA 0.302 45.492 45.100 0.149 0.000 0.802 326 G HN 0.495 nan 8.290 nan 0.000 0.535 327 F N 0.423 120.377 119.950 0.007 0.000 2.075 327 F HA -0.005 4.509 4.527 -0.022 0.000 0.297 327 F C 2.276 178.010 175.800 -0.111 0.000 1.113 327 F CA 1.240 59.180 58.000 -0.100 0.000 1.218 327 F CB -0.376 38.495 39.000 -0.216 0.000 0.984 327 F HN 0.182 nan 8.300 nan 0.000 0.472 328 W N 0.895 122.338 121.300 0.240 0.000 2.424 328 W HA -0.152 4.495 4.660 -0.021 0.000 0.264 328 W C 1.988 178.465 176.519 -0.070 0.000 1.229 328 W CA 1.199 58.586 57.345 0.070 0.000 1.208 328 W CB -0.217 29.346 29.460 0.171 0.000 1.127 328 W HN 0.176 nan 8.180 nan 0.000 0.588 329 E N -0.588 119.696 120.200 0.141 0.000 2.501 329 E HA 0.012 4.349 4.350 -0.022 0.000 0.200 329 E C 0.344 176.924 176.600 -0.034 0.000 1.016 329 E CA 0.232 56.668 56.400 0.061 0.000 0.921 329 E CB -0.044 29.701 29.700 0.076 0.000 1.034 329 E HN 0.286 nan 8.360 nan 0.000 0.468 330 N N -1.536 117.084 118.700 -0.133 0.000 1.983 330 N HA 0.047 4.774 4.740 -0.022 0.000 0.234 330 N C -0.694 174.721 175.510 -0.159 0.000 1.339 330 N CA -0.226 52.726 53.050 -0.163 0.000 0.826 330 N CB 0.911 39.228 38.487 -0.284 0.000 1.156 330 N HN -0.171 nan 8.380 nan 0.000 0.468 331 S N 1.248 116.729 115.700 -0.365 0.000 2.549 331 S HA 0.087 4.544 4.470 -0.022 0.000 0.286 331 S C 0.055 174.526 174.600 -0.214 0.000 1.314 331 S CA -0.034 57.931 58.200 -0.392 0.000 1.062 331 S CB 0.401 62.977 63.200 -1.040 0.000 0.865 331 S HN 0.245 nan 8.310 nan 0.000 0.498 332 M N 5.192 124.721 119.600 -0.118 0.000 2.152 332 M HA 0.296 4.763 4.480 -0.022 0.000 0.354 332 M C -0.570 175.621 176.300 -0.182 0.000 1.173 332 M CA -0.315 54.899 55.300 -0.143 0.000 1.110 332 M CB -0.275 32.208 32.600 -0.196 0.000 1.366 332 M HN 0.608 nan 8.290 nan 0.000 0.415 333 L N 4.364 125.477 121.223 -0.184 0.000 2.728 333 L HA 0.298 4.625 4.340 -0.022 0.000 0.235 333 L C -0.291 176.571 176.870 -0.013 0.000 1.197 333 L CA -0.204 54.532 54.840 -0.174 0.000 0.992 333 L CB -0.952 40.941 42.059 -0.276 0.000 1.263 333 L HN 0.726 nan 8.230 nan 0.000 0.484 334 T N -5.154 109.385 114.554 -0.024 0.000 3.289 334 T HA 0.106 4.443 4.350 -0.022 0.000 0.370 334 T C -0.931 173.753 174.700 -0.027 0.000 1.546 334 T CA -0.977 61.127 62.100 0.006 0.000 1.144 334 T CB 1.943 70.829 68.868 0.029 0.000 1.379 334 T HN -0.124 nan 8.240 nan 0.000 0.478 335 D N 3.693 124.078 120.400 -0.025 0.000 2.487 335 D HA 0.130 4.757 4.640 -0.022 0.000 0.243 335 D C -0.695 175.582 176.300 -0.039 0.000 1.154 335 D CA -1.392 52.582 54.000 -0.043 0.000 0.876 335 D CB 1.103 41.882 40.800 -0.035 0.000 1.161 335 D HN 0.353 nan 8.370 nan 0.000 0.478 336 P HA 0.063 nan 4.420 nan 0.000 0.244 336 P C 0.847 178.127 177.300 -0.034 0.000 1.211 336 P CA 0.491 63.565 63.100 -0.045 0.000 0.760 336 P CB -0.151 31.512 31.700 -0.062 0.000 0.961 337 G N 1.276 110.057 108.800 -0.032 0.000 2.564 337 G HA2 -0.258 3.689 3.960 -0.022 0.000 0.273 337 G HA3 -0.258 3.689 3.960 -0.022 0.000 0.273 337 G C -0.118 174.767 174.900 -0.025 0.000 1.242 337 G CA -0.444 44.642 45.100 -0.023 0.000 0.951 337 G HN 0.340 nan 8.290 nan 0.000 0.564 338 N N 0.197 118.886 118.700 -0.017 0.000 2.453 338 N HA 0.344 5.071 4.740 -0.022 0.000 0.253 338 N C 0.449 175.948 175.510 -0.019 0.000 1.252 338 N CA 0.899 53.940 53.050 -0.016 0.000 0.917 338 N CB 1.122 39.604 38.487 -0.008 0.000 1.117 338 N HN 1.404 nan 8.380 nan 0.000 0.442 339 V N 1.645 121.547 119.914 -0.020 0.000 3.699 339 V HA -0.192 3.915 4.120 -0.022 0.000 0.431 339 V C -0.267 175.806 176.094 -0.034 0.000 0.673 339 V CA 0.652 62.939 62.300 -0.022 0.000 1.870 339 V CB -1.504 30.308 31.823 -0.018 0.000 2.310 339 V HN 1.072 nan 8.190 nan 0.000 0.488 340 Q N 2.001 121.776 119.800 -0.041 0.000 2.418 340 Q HA -0.080 4.247 4.340 -0.022 0.000 0.226 340 Q C -0.709 175.246 176.000 -0.076 0.000 1.137 340 Q CA 0.637 56.403 55.803 -0.062 0.000 0.438 340 Q CB 0.183 28.881 28.738 -0.068 0.000 0.561 340 Q HN 0.977 nan 8.270 nan 0.000 0.320 341 K N 2.251 122.596 120.400 -0.090 0.000 2.339 341 K HA 0.868 5.175 4.320 -0.022 0.000 0.264 341 K C -1.070 175.439 176.600 -0.151 0.000 0.986 341 K CA 0.071 56.300 56.287 -0.097 0.000 0.866 341 K CB 1.925 34.384 32.500 -0.069 0.000 1.103 341 K HN 0.533 nan 8.250 nan 0.000 0.441 342 A N 2.600 125.327 122.820 -0.154 0.000 2.374 342 A HA 0.527 4.834 4.320 -0.022 0.000 0.317 342 A C -0.253 177.253 177.584 -0.130 0.000 1.094 342 A CA -0.828 51.088 52.037 -0.202 0.000 0.765 342 A CB 1.417 20.266 19.000 -0.251 0.000 1.268 342 A HN 0.797 nan 8.150 nan 0.000 0.438 343 V N 0.512 120.367 119.914 -0.099 0.000 2.493 343 V HA 0.100 4.207 4.120 -0.022 0.000 0.292 343 V C 0.806 176.894 176.094 -0.011 0.000 1.016 343 V CA 0.252 62.568 62.300 0.026 0.000 1.097 343 V CB -0.359 31.562 31.823 0.164 0.000 0.947 343 V HN 0.846 nan 8.190 nan 0.000 0.479 344 c N 4.551 123.147 118.600 -0.008 0.000 2.539 344 c HA 0.161 4.718 4.570 -0.022 0.000 0.268 344 c C 1.310 175.369 174.090 -0.052 0.000 1.395 344 c CA 0.290 56.596 56.329 -0.039 0.000 1.757 344 c CB -2.074 40.408 42.510 -0.046 0.000 1.851 344 c HN 1.069 nan 8.230 nan 0.000 0.545 345 H N 1.694 120.657 119.070 -0.179 0.000 3.070 345 H HA 0.124 4.667 4.556 -0.021 0.000 0.313 345 H C -2.362 172.871 175.328 -0.159 0.000 0.997 345 H CA -0.565 55.291 56.048 -0.319 0.000 1.438 345 H CB 0.517 29.708 29.762 -0.953 0.000 1.455 345 H HN 0.166 nan 8.280 nan 0.000 0.575 346 P HA 0.034 nan 4.420 nan 0.000 0.266 346 P C -1.048 176.341 177.300 0.148 0.000 1.215 346 P CA 0.143 63.248 63.100 0.009 0.000 0.763 346 P CB 0.573 32.270 31.700 -0.005 0.000 0.806 347 T N 0.252 114.953 114.554 0.246 0.000 2.912 347 T HA 0.735 5.072 4.350 -0.022 0.000 0.299 347 T C -0.761 174.194 174.700 0.425 0.000 1.052 347 T CA -1.093 61.192 62.100 0.308 0.000 0.996 347 T CB 1.735 70.793 68.868 0.316 0.000 1.070 347 T HN 0.216 nan 8.240 nan 0.000 0.465 348 A N 2.679 125.693 122.820 0.324 0.000 2.260 348 A HA 0.615 4.922 4.320 -0.022 0.000 0.312 348 A C -0.822 176.934 177.584 0.287 0.000 1.321 348 A CA -0.870 51.374 52.037 0.344 0.000 0.928 348 A CB -0.172 19.000 19.000 0.286 0.000 1.158 348 A HN 0.748 nan 8.150 nan 0.000 0.542 349 W N 1.020 122.398 121.300 0.129 0.000 2.381 349 W HA 0.513 5.160 4.660 -0.021 0.000 0.329 349 W C -0.061 176.437 176.519 -0.035 0.000 1.157 349 W CA 0.107 57.493 57.345 0.068 0.000 1.240 349 W CB 1.066 30.608 29.460 0.137 0.000 1.199 349 W HN 0.606 nan 8.180 nan 0.000 0.579 350 D N 2.282 122.734 120.400 0.087 0.000 2.421 350 D HA 0.244 4.871 4.640 -0.022 0.000 0.254 350 D C -0.308 175.985 176.300 -0.013 0.000 1.238 350 D CA -0.330 53.620 54.000 -0.083 0.000 0.919 350 D CB 0.978 41.726 40.800 -0.086 0.000 1.152 350 D HN 0.265 nan 8.370 nan 0.000 0.552 351 L N 2.603 123.762 121.223 -0.107 0.000 2.607 351 L HA 0.425 4.752 4.340 -0.022 0.000 0.228 351 L C 1.546 178.495 176.870 0.131 0.000 1.123 351 L CA 0.370 55.121 54.840 -0.149 0.000 0.890 351 L CB -0.269 41.525 42.059 -0.442 0.000 1.103 351 L HN 0.645 nan 8.230 nan 0.000 0.468 352 G N 0.433 109.280 108.800 0.079 0.000 2.752 352 G HA2 -0.335 3.612 3.960 -0.022 0.000 0.234 352 G HA3 -0.335 3.612 3.960 -0.022 0.000 0.234 352 G C 0.383 175.389 174.900 0.178 0.000 1.367 352 G CA 0.025 45.217 45.100 0.153 0.000 0.879 352 G HN 0.309 nan 8.290 nan 0.000 0.563 353 K N -1.407 119.071 120.400 0.130 0.000 3.130 353 K HA -0.024 4.283 4.320 -0.022 0.000 0.282 353 K C 1.849 178.484 176.600 0.057 0.000 1.145 353 K CA 2.925 59.228 56.287 0.027 0.000 0.831 353 K CB -1.494 30.886 32.500 -0.199 0.000 1.226 353 K HN 2.854 nan 8.250 nan 0.000 0.478 354 G N -0.748 108.107 108.800 0.091 0.000 2.159 354 G HA2 -0.307 3.640 3.960 -0.022 0.000 0.256 354 G HA3 -0.307 3.640 3.960 -0.022 0.000 0.256 354 G C -0.352 174.713 174.900 0.275 0.000 0.977 354 G CA 0.222 45.472 45.100 0.249 0.000 0.652 354 G HN 0.607 nan 8.290 nan 0.000 0.531 355 D N 0.540 120.967 120.400 0.045 0.000 2.380 355 D HA 0.544 5.171 4.640 -0.022 0.000 0.230 355 D C -0.311 175.883 176.300 -0.176 0.000 1.154 355 D CA -0.434 53.600 54.000 0.057 0.000 0.859 355 D CB -0.163 40.725 40.800 0.145 0.000 1.045 355 D HN 0.051 nan 8.370 nan 0.000 0.495 356 F N 3.314 123.284 119.950 0.033 0.000 2.444 356 F HA 0.555 5.069 4.527 -0.021 0.000 0.342 356 F C 0.830 176.677 175.800 0.077 0.000 1.121 356 F CA -0.755 57.286 58.000 0.068 0.000 0.997 356 F CB 1.429 40.473 39.000 0.072 0.000 1.130 356 F HN 0.040 nan 8.300 nan 0.000 0.454 357 R N 2.804 123.414 120.500 0.184 0.000 2.799 357 R HA 0.784 5.111 4.340 -0.022 0.000 0.270 357 R C -1.682 174.733 176.300 0.192 0.000 1.010 357 R CA -1.088 54.996 56.100 -0.027 0.000 0.916 357 R CB 2.993 32.979 30.300 -0.522 0.000 1.228 357 R HN 0.578 nan 8.270 nan 0.000 0.469 358 I N 2.040 122.636 120.570 0.043 0.000 2.512 358 I HA 0.284 4.441 4.170 -0.022 0.000 0.287 358 I C -1.147 175.005 176.117 0.058 0.000 1.069 358 I CA -0.661 60.746 61.300 0.178 0.000 1.056 358 I CB 2.390 40.490 38.000 0.166 0.000 1.229 358 I HN 0.365 nan 8.210 nan 0.000 0.429 359 L N 8.112 129.409 121.223 0.123 0.000 2.277 359 L HA 0.655 4.982 4.340 -0.022 0.000 0.284 359 L C -0.978 175.888 176.870 -0.008 0.000 1.028 359 L CA -0.174 54.614 54.840 -0.087 0.000 0.835 359 L CB 0.661 42.512 42.059 -0.346 0.000 1.215 359 L HN 0.702 nan 8.230 nan 0.000 0.425 360 M N 5.395 124.971 119.600 -0.040 0.000 2.277 360 M HA 0.320 4.787 4.480 -0.022 0.000 0.282 360 M C -1.305 175.002 176.300 0.011 0.000 1.074 360 M CA -0.480 54.836 55.300 0.027 0.000 0.954 360 M CB 1.624 34.324 32.600 0.167 0.000 1.672 360 M HN 0.573 nan 8.290 nan 0.000 0.471 361 c N 3.605 122.204 118.600 -0.003 0.000 2.518 361 c HA 0.247 4.804 4.570 -0.022 0.000 0.456 361 c C 0.608 174.726 174.090 0.046 0.000 1.016 361 c CA -0.430 55.899 56.329 0.001 0.000 1.210 361 c CB -2.071 40.423 42.510 -0.026 0.000 1.542 361 c HN 0.761 nan 8.230 nan 0.000 0.545 362 T N 2.979 117.598 114.554 0.109 0.000 2.946 362 T HA 0.155 4.492 4.350 -0.022 0.000 0.311 362 T C 0.122 174.895 174.700 0.122 0.000 1.063 362 T CA 0.421 62.625 62.100 0.173 0.000 1.139 362 T CB 0.576 69.642 68.868 0.330 0.000 0.994 362 T HN 0.619 nan 8.240 nan 0.000 0.547 363 K N 0.936 121.400 120.400 0.106 0.000 2.395 363 K HA 0.556 4.863 4.320 -0.022 0.000 0.247 363 K C -0.866 175.791 176.600 0.094 0.000 0.973 363 K CA -0.971 55.364 56.287 0.080 0.000 0.828 363 K CB 1.944 34.469 32.500 0.042 0.000 1.272 363 K HN 0.225 nan 8.250 nan 0.000 0.439 364 V N 2.558 122.523 119.914 0.086 0.000 2.096 364 V HA 0.137 4.244 4.120 -0.022 0.000 0.259 364 V C -0.520 175.587 176.094 0.022 0.000 1.420 364 V CA -0.010 62.341 62.300 0.084 0.000 1.336 364 V CB -0.636 31.250 31.823 0.106 0.000 1.394 364 V HN 0.735 nan 8.190 nan 0.000 0.494 365 T N 1.954 116.515 114.554 0.010 0.000 2.910 365 T HA 0.359 4.696 4.350 -0.022 0.000 0.287 365 T C 0.885 175.559 174.700 -0.043 0.000 1.050 365 T CA -0.593 61.494 62.100 -0.022 0.000 1.011 365 T CB 2.247 71.109 68.868 -0.010 0.000 1.195 365 T HN 0.383 nan 8.240 nan 0.000 0.540 366 M N 0.462 120.020 119.600 -0.070 0.000 2.506 366 M HA 0.012 4.479 4.480 -0.022 0.000 0.260 366 M C 0.890 177.187 176.300 -0.005 0.000 1.104 366 M CA 1.195 56.447 55.300 -0.081 0.000 1.112 366 M CB 0.001 32.520 32.600 -0.136 0.000 1.401 366 M HN 0.484 nan 8.290 nan 0.000 0.473 367 D N 1.177 121.554 120.400 -0.037 0.000 2.084 367 D HA -0.142 4.485 4.640 -0.022 0.000 0.196 367 D C 1.075 177.336 176.300 -0.065 0.000 0.985 367 D CA 1.490 55.446 54.000 -0.075 0.000 0.826 367 D CB -0.243 40.507 40.800 -0.084 0.000 0.978 367 D HN 0.385 nan 8.370 nan 0.000 0.456 368 D N -0.885 119.501 120.400 -0.025 0.000 2.350 368 D HA -0.068 4.559 4.640 -0.022 0.000 0.216 368 D C 1.475 177.769 176.300 -0.010 0.000 0.968 368 D CA 0.102 54.095 54.000 -0.012 0.000 0.894 368 D CB -0.209 40.613 40.800 0.036 0.000 0.909 368 D HN 0.233 nan 8.370 nan 0.000 0.520 369 F N 0.437 120.297 119.950 -0.150 0.000 2.187 369 F HA 0.013 4.527 4.527 -0.021 0.000 0.295 369 F C 1.613 177.283 175.800 -0.216 0.000 1.091 369 F CA 0.957 58.850 58.000 -0.178 0.000 1.308 369 F CB 0.075 38.929 39.000 -0.242 0.000 1.030 369 F HN -0.115 nan 8.300 nan 0.000 0.487 370 L N -0.353 120.705 121.223 -0.275 0.000 2.068 370 L HA -0.138 4.189 4.340 -0.022 0.000 0.204 370 L C 2.319 179.046 176.870 -0.239 0.000 1.076 370 L CA 1.564 56.161 54.840 -0.405 0.000 0.753 370 L CB -1.329 40.597 42.059 -0.221 0.000 0.910 370 L HN 0.085 nan 8.230 nan 0.000 0.439 371 T N 0.364 114.818 114.554 -0.166 0.000 2.822 371 T HA -0.190 4.147 4.350 -0.022 0.000 0.270 371 T C 1.940 176.630 174.700 -0.018 0.000 1.064 371 T CA 1.269 63.318 62.100 -0.085 0.000 1.131 371 T CB -0.148 68.662 68.868 -0.098 0.000 0.858 371 T HN 0.453 nan 8.240 nan 0.000 0.483 372 A N 0.974 123.687 122.820 -0.179 0.000 1.898 372 A HA -0.109 4.198 4.320 -0.022 0.000 0.216 372 A C 1.948 179.470 177.584 -0.103 0.000 1.181 372 A CA 1.440 53.252 52.037 -0.374 0.000 0.620 372 A CB -0.779 17.697 19.000 -0.874 0.000 0.819 372 A HN 0.485 nan 8.150 nan 0.000 0.442 373 H N -1.775 117.116 119.070 -0.300 0.000 2.489 373 H HA -0.064 4.479 4.556 -0.022 0.000 0.293 373 H C 1.791 177.103 175.328 -0.027 0.000 1.066 373 H CA 1.577 57.508 56.048 -0.196 0.000 1.305 373 H CB -0.291 29.213 29.762 -0.429 0.000 1.386 373 H HN 0.835 nan 8.280 nan 0.000 0.551 374 H N 0.538 119.606 119.070 -0.003 0.000 2.320 374 H HA -0.042 4.501 4.556 -0.022 0.000 0.312 374 H C 1.998 177.318 175.328 -0.013 0.000 1.051 374 H CA 1.327 57.345 56.048 -0.050 0.000 1.339 374 H CB 0.202 29.917 29.762 -0.078 0.000 1.437 374 H HN 0.017 nan 8.280 nan 0.000 0.538 375 E N 0.391 120.721 120.200 0.216 0.000 2.172 375 E HA -0.330 4.007 4.350 -0.022 0.000 0.213 375 E C 2.398 179.104 176.600 0.177 0.000 1.051 375 E CA 1.812 58.376 56.400 0.272 0.000 0.860 375 E CB -0.689 29.251 29.700 0.399 0.000 0.755 375 E HN 0.564 nan 8.360 nan 0.000 0.462 376 M N 0.062 119.747 119.600 0.142 0.000 2.065 376 M HA -0.134 4.333 4.480 -0.022 0.000 0.259 376 M C 2.247 178.397 176.300 -0.249 0.000 1.069 376 M CA 2.412 57.704 55.300 -0.013 0.000 1.110 376 M CB -0.622 32.020 32.600 0.071 0.000 1.328 376 M HN 0.193 nan 8.290 nan 0.000 0.405 377 G N -0.709 107.991 108.800 -0.168 0.000 2.556 377 G HA2 -0.333 3.615 3.960 -0.022 0.000 0.220 377 G HA3 -0.333 3.615 3.960 -0.022 0.000 0.220 377 G C 1.276 176.079 174.900 -0.162 0.000 1.156 377 G CA 1.558 46.509 45.100 -0.248 0.000 0.766 377 G HN 0.535 nan 8.290 nan 0.000 0.583 378 H N 0.444 119.450 119.070 -0.107 0.000 2.319 378 H HA -0.080 4.463 4.556 -0.022 0.000 0.297 378 H C 2.775 178.154 175.328 0.086 0.000 1.097 378 H CA 1.319 57.415 56.048 0.081 0.000 1.285 378 H CB -0.253 29.518 29.762 0.015 0.000 1.368 378 H HN 0.208 nan 8.280 nan 0.000 0.495 379 I N 0.626 121.259 120.570 0.106 0.000 2.113 379 I HA -0.240 3.917 4.170 -0.022 0.000 0.238 379 I C 2.475 178.492 176.117 -0.167 0.000 1.070 379 I CA 1.148 62.456 61.300 0.014 0.000 1.332 379 I CB -1.249 36.703 38.000 -0.082 0.000 1.044 379 I HN 0.187 nan 8.210 nan 0.000 0.402 380 Q N -0.282 119.282 119.800 -0.393 0.000 2.325 380 Q HA -0.242 4.085 4.340 -0.022 0.000 0.211 380 Q C 2.080 177.897 176.000 -0.305 0.000 0.988 380 Q CA 1.648 57.154 55.803 -0.495 0.000 0.887 380 Q CB -0.425 27.814 28.738 -0.832 0.000 0.915 380 Q HN 0.638 nan 8.270 nan 0.000 0.440 381 Y N -0.488 119.596 120.300 -0.359 0.000 2.163 381 Y HA -0.164 4.374 4.550 -0.021 0.000 0.288 381 Y C 1.696 177.212 175.900 -0.640 0.000 1.112 381 Y CA 0.599 58.461 58.100 -0.397 0.000 1.104 381 Y CB 0.168 38.440 38.460 -0.314 0.000 1.016 381 Y HN 0.133 nan 8.280 nan 0.000 0.497 382 D N 0.617 120.731 120.400 -0.475 0.000 2.218 382 D HA -0.290 4.337 4.640 -0.022 0.000 0.194 382 D C 1.963 178.000 176.300 -0.439 0.000 1.007 382 D CA 2.114 55.681 54.000 -0.721 0.000 0.879 382 D CB -0.244 40.525 40.800 -0.052 0.000 0.918 382 D HN 0.502 nan 8.370 nan 0.000 0.449 383 M N 0.465 119.975 119.600 -0.150 0.000 2.115 383 M HA -0.030 4.437 4.480 -0.022 0.000 0.261 383 M C 2.582 178.781 176.300 -0.169 0.000 1.079 383 M CA 1.060 56.289 55.300 -0.117 0.000 1.143 383 M CB -0.400 31.955 32.600 -0.408 0.000 1.332 383 M HN -0.084 nan 8.290 nan 0.000 0.421 384 A N 0.514 123.175 122.820 -0.264 0.000 2.104 384 A HA -0.212 4.095 4.320 -0.022 0.000 0.223 384 A C 1.569 179.143 177.584 -0.016 0.000 1.164 384 A CA 1.797 53.698 52.037 -0.226 0.000 0.659 384 A CB -1.208 17.588 19.000 -0.340 0.000 0.808 384 A HN 0.826 nan 8.150 nan 0.000 0.465 385 Y N -5.151 115.127 120.300 -0.037 0.000 2.682 385 Y HA 0.705 5.243 4.550 -0.021 0.000 0.251 385 Y C 1.670 177.560 175.900 -0.017 0.000 1.172 385 Y CA -0.039 58.032 58.100 -0.048 0.000 1.186 385 Y CB -0.283 38.072 38.460 -0.174 0.000 1.216 385 Y HN 0.124 nan 8.280 nan 0.000 0.540 386 A N 2.026 124.959 122.820 0.189 0.000 1.858 386 A HA 0.058 4.365 4.320 -0.022 0.000 0.216 386 A C 1.786 179.477 177.584 0.178 0.000 1.190 386 A CA 1.151 53.313 52.037 0.208 0.000 0.617 386 A CB -1.133 18.002 19.000 0.224 0.000 0.827 386 A HN 0.665 nan 8.150 nan 0.000 0.443 387 A N -0.386 122.525 122.820 0.152 0.000 2.993 387 A HA 0.461 4.768 4.320 -0.022 0.000 0.281 387 A C 0.116 177.770 177.584 0.116 0.000 1.847 387 A CA 0.607 52.718 52.037 0.124 0.000 1.470 387 A CB -0.854 18.216 19.000 0.117 0.000 1.028 387 A HN 0.598 nan 8.150 nan 0.000 0.604 388 Q N 1.658 121.521 119.800 0.105 0.000 2.574 388 Q HA 0.338 4.665 4.340 -0.022 0.000 0.265 388 Q C -3.044 172.992 176.000 0.061 0.000 0.975 388 Q CA -1.316 54.531 55.803 0.072 0.000 0.923 388 Q CB 2.167 30.941 28.738 0.060 0.000 1.518 388 Q HN 0.264 nan 8.270 nan 0.000 0.401 389 P HA -0.128 nan 4.420 nan 0.000 0.255 389 P C 0.346 177.709 177.300 0.104 0.000 1.151 389 P CA 0.543 63.687 63.100 0.074 0.000 0.767 389 P CB 0.087 31.815 31.700 0.047 0.000 0.736 390 F N 5.329 125.263 119.950 -0.026 0.000 2.048 390 F HA -0.264 4.250 4.527 -0.023 0.000 0.296 390 F C 1.522 177.308 175.800 -0.023 0.000 1.109 390 F CA 1.598 59.581 58.000 -0.029 0.000 1.214 390 F CB -0.301 38.678 39.000 -0.034 0.000 0.963 390 F HN 0.184 nan 8.300 nan 0.000 0.491 391 L N 0.754 122.199 121.223 0.371 0.000 2.801 391 L HA 0.121 4.448 4.340 -0.022 0.000 0.250 391 L C 0.202 177.040 176.870 -0.053 0.000 1.222 391 L CA 0.742 55.676 54.840 0.156 0.000 1.054 391 L CB -0.785 41.476 42.059 0.336 0.000 1.330 391 L HN 0.465 nan 8.230 nan 0.000 0.426 392 L N -1.156 119.977 121.223 -0.149 0.000 3.857 392 L HA 0.230 4.557 4.340 -0.022 0.000 0.369 392 L C 0.811 177.482 176.870 -0.331 0.000 1.105 392 L CA 0.031 54.760 54.840 -0.185 0.000 1.360 392 L CB 0.085 42.081 42.059 -0.105 0.000 1.813 392 L HN 0.309 nan 8.230 nan 0.000 0.630 393 R N 0.281 120.541 120.500 -0.400 0.000 2.345 393 R HA 0.405 4.732 4.340 -0.022 0.000 0.331 393 R C -0.388 175.234 176.300 -1.131 0.000 1.067 393 R CA 0.324 55.982 56.100 -0.736 0.000 0.962 393 R CB -0.391 29.747 30.300 -0.270 0.000 0.987 393 R HN 0.109 nan 8.270 nan 0.000 0.451 394 N N 1.396 119.244 118.700 -1.421 0.000 2.706 394 N HA 0.109 4.836 4.740 -0.022 0.000 0.219 394 N C -1.044 174.145 175.510 -0.535 0.000 1.336 394 N CA 0.674 53.218 53.050 -0.844 0.000 1.663 394 N CB 1.156 39.381 38.487 -0.436 0.000 1.373 394 N HN 0.930 nan 8.380 nan 0.000 0.619 395 G N 0.631 109.016 108.800 -0.692 0.000 3.116 395 G HA2 -0.050 3.897 3.960 -0.022 0.000 0.685 395 G HA3 -0.050 3.897 3.960 -0.022 0.000 0.685 395 G C 1.174 175.975 174.900 -0.166 0.000 1.327 395 G CA -0.058 44.913 45.100 -0.216 0.000 1.107 395 G HN 0.585 nan 8.290 nan 0.000 0.591 396 A N 2.345 125.032 122.820 -0.221 0.000 1.971 396 A HA 0.105 4.412 4.320 -0.022 0.000 0.222 396 A C 1.311 178.681 177.584 -0.357 0.000 1.182 396 A CA 2.565 54.329 52.037 -0.455 0.000 0.649 396 A CB -0.403 17.877 19.000 -1.200 0.000 0.818 396 A HN 2.393 nan 8.150 nan 0.000 0.458 397 N N -4.210 114.285 118.700 -0.343 0.000 3.533 397 N HA 0.134 4.861 4.740 -0.022 0.000 0.229 397 N C 0.290 175.680 175.510 -0.199 0.000 1.418 397 N CA -0.046 52.773 53.050 -0.385 0.000 0.880 397 N CB 0.072 38.084 38.487 -0.793 0.000 1.415 397 N HN 0.124 nan 8.380 nan 0.000 0.491 398 E N 0.370 120.400 120.200 -0.284 0.000 2.065 398 E HA -0.267 4.070 4.350 -0.022 0.000 0.201 398 E C 1.794 178.413 176.600 0.030 0.000 1.016 398 E CA 1.860 58.196 56.400 -0.107 0.000 0.818 398 E CB -0.794 28.792 29.700 -0.189 0.000 0.749 398 E HN 0.676 nan 8.360 nan 0.000 0.453 399 G N 1.028 109.864 108.800 0.061 0.000 2.599 399 G HA2 -0.331 3.616 3.960 -0.022 0.000 0.219 399 G HA3 -0.331 3.616 3.960 -0.022 0.000 0.219 399 G C 1.284 176.414 174.900 0.384 0.000 1.193 399 G CA 1.365 46.658 45.100 0.322 0.000 0.778 399 G HN 0.235 nan 8.290 nan 0.000 0.589 400 F N 0.548 120.544 119.950 0.076 0.000 2.087 400 F HA -0.149 4.365 4.527 -0.020 0.000 0.299 400 F C 2.654 178.418 175.800 -0.060 0.000 1.100 400 F CA 1.786 59.718 58.000 -0.113 0.000 1.226 400 F CB -0.629 38.294 39.000 -0.129 0.000 0.983 400 F HN 0.194 nan 8.300 nan 0.000 0.479 401 H N 0.191 119.435 119.070 0.289 0.000 2.321 401 H HA -0.092 4.451 4.556 -0.022 0.000 0.300 401 H C 2.200 177.606 175.328 0.128 0.000 1.087 401 H CA 1.717 57.978 56.048 0.356 0.000 1.319 401 H CB -0.024 29.975 29.762 0.396 0.000 1.379 401 H HN 0.215 nan 8.280 nan 0.000 0.501 402 E N 0.491 120.835 120.200 0.240 0.000 2.047 402 E HA -0.041 4.296 4.350 -0.022 0.000 0.191 402 E C 2.228 178.814 176.600 -0.023 0.000 0.987 402 E CA 0.819 57.280 56.400 0.102 0.000 0.799 402 E CB -0.532 29.184 29.700 0.027 0.000 0.752 402 E HN 0.387 nan 8.360 nan 0.000 0.449 403 A N 1.264 124.047 122.820 -0.061 0.000 2.272 403 A HA -0.064 4.243 4.320 -0.022 0.000 0.213 403 A C 2.208 179.553 177.584 -0.398 0.000 1.183 403 A CA 0.963 52.878 52.037 -0.203 0.000 0.719 403 A CB -0.456 18.456 19.000 -0.147 0.000 0.771 403 A HN 0.147 nan 8.150 nan 0.000 0.484 404 V N -1.103 118.587 119.914 -0.374 0.000 2.581 404 V HA 0.120 4.227 4.120 -0.022 0.000 0.240 404 V C 2.270 178.194 176.094 -0.284 0.000 1.054 404 V CA 1.832 63.875 62.300 -0.429 0.000 1.076 404 V CB -0.334 31.196 31.823 -0.488 0.000 0.748 404 V HN 0.456 nan 8.190 nan 0.000 0.474 405 G N -0.697 107.918 108.800 -0.307 0.000 2.509 405 G HA2 -0.132 3.815 3.960 -0.022 0.000 0.218 405 G HA3 -0.132 3.815 3.960 -0.022 0.000 0.218 405 G C 1.258 176.098 174.900 -0.099 0.000 1.124 405 G CA 0.531 45.520 45.100 -0.185 0.000 0.776 405 G HN 0.520 nan 8.290 nan 0.000 0.547 406 E N 0.091 120.222 120.200 -0.116 0.000 2.481 406 E HA 0.106 4.443 4.350 -0.022 0.000 0.195 406 E C 2.170 178.636 176.600 -0.223 0.000 1.047 406 E CA 0.035 56.352 56.400 -0.138 0.000 0.867 406 E CB 0.194 29.808 29.700 -0.143 0.000 0.858 406 E HN 0.530 nan 8.360 nan 0.000 0.513 407 I N 0.085 120.523 120.570 -0.221 0.000 3.226 407 I HA -0.102 4.055 4.170 -0.022 0.000 0.277 407 I C 2.041 178.075 176.117 -0.139 0.000 1.243 407 I CA 0.340 61.520 61.300 -0.200 0.000 1.459 407 I CB 0.022 37.898 38.000 -0.205 0.000 1.093 407 I HN 0.049 nan 8.210 nan 0.000 0.453 408 M N -0.355 119.146 119.600 -0.166 0.000 2.369 408 M HA -0.001 4.466 4.480 -0.022 0.000 0.254 408 M C 2.469 178.548 176.300 -0.368 0.000 1.136 408 M CA 1.131 56.263 55.300 -0.279 0.000 1.190 408 M CB -1.056 31.341 32.600 -0.339 0.000 1.289 408 M HN -0.026 nan 8.290 nan 0.000 0.468 409 S N 1.658 117.185 115.700 -0.287 0.000 2.423 409 S HA -0.113 4.345 4.470 -0.022 0.000 0.238 409 S C 1.867 176.361 174.600 -0.177 0.000 1.028 409 S CA 0.895 58.916 58.200 -0.298 0.000 1.000 409 S CB -0.399 62.676 63.200 -0.208 0.000 0.797 409 S HN 0.297 nan 8.310 nan 0.000 0.487 410 L N 0.928 122.067 121.223 -0.140 0.000 2.109 410 L HA 0.017 4.344 4.340 -0.022 0.000 0.207 410 L C 2.427 179.318 176.870 0.036 0.000 1.086 410 L CA 1.788 56.616 54.840 -0.021 0.000 0.760 410 L CB -1.169 40.835 42.059 -0.091 0.000 0.910 410 L HN 0.401 nan 8.230 nan 0.000 0.437 411 S N -0.473 115.179 115.700 -0.080 0.000 2.404 411 S HA 0.090 4.547 4.470 -0.022 0.000 0.223 411 S C 1.378 175.859 174.600 -0.197 0.000 1.040 411 S CA 0.405 58.566 58.200 -0.065 0.000 0.957 411 S CB -0.050 63.163 63.200 0.021 0.000 0.826 411 S HN 0.386 nan 8.310 nan 0.000 0.491 412 A N 0.254 122.792 122.820 -0.470 0.000 3.135 412 A HA 0.776 5.083 4.320 -0.022 0.000 0.253 412 A C 0.703 178.232 177.584 -0.092 0.000 1.638 412 A CA 0.313 52.048 52.037 -0.503 0.000 1.295 412 A CB -0.932 17.478 19.000 -0.985 0.000 1.106 412 A HN 0.885 nan 8.150 nan 0.000 0.648 413 A N -0.368 122.449 122.820 -0.005 0.000 2.642 413 A HA 0.245 4.552 4.320 -0.022 0.000 0.164 413 A C 0.890 178.393 177.584 -0.134 0.000 1.594 413 A CA 0.636 52.678 52.037 0.008 0.000 1.137 413 A CB -0.814 18.219 19.000 0.055 0.000 1.353 413 A HN 0.896 nan 8.150 nan 0.000 0.450 414 T N -0.745 113.700 114.554 -0.181 0.000 2.930 414 T HA 0.378 4.715 4.350 -0.022 0.000 0.306 414 T C -1.444 173.017 174.700 -0.399 0.000 1.045 414 T CA -0.565 61.235 62.100 -0.501 0.000 1.134 414 T CB 1.003 69.730 68.868 -0.236 0.000 0.961 414 T HN -0.041 nan 8.240 nan 0.000 0.545 415 P HA -0.192 nan 4.420 nan 0.000 0.216 415 P C 1.640 178.828 177.300 -0.187 0.000 1.157 415 P CA 1.303 64.214 63.100 -0.314 0.000 0.880 415 P CB 0.041 31.560 31.700 -0.301 0.000 0.791 416 K N -0.817 119.487 120.400 -0.159 0.000 1.990 416 K HA -0.317 3.990 4.320 -0.022 0.000 0.225 416 K C 2.150 178.743 176.600 -0.012 0.000 1.053 416 K CA 2.260 58.511 56.287 -0.060 0.000 0.982 416 K CB -1.365 31.123 32.500 -0.021 0.000 0.734 416 K HN 0.088 nan 8.250 nan 0.000 0.448 417 H N -0.091 118.948 119.070 -0.052 0.000 2.254 417 H HA -0.146 4.397 4.556 -0.021 0.000 0.294 417 H C 1.893 177.213 175.328 -0.013 0.000 1.071 417 H CA 2.350 58.403 56.048 0.009 0.000 1.228 417 H CB -0.639 29.147 29.762 0.039 0.000 1.358 417 H HN 0.232 nan 8.280 nan 0.000 0.495 418 L N 0.871 121.996 121.223 -0.164 0.000 2.085 418 L HA -0.272 4.055 4.340 -0.022 0.000 0.218 418 L C 2.469 179.195 176.870 -0.240 0.000 1.080 418 L CA 2.072 56.757 54.840 -0.260 0.000 0.776 418 L CB -1.166 40.761 42.059 -0.219 0.000 0.891 418 L HN 0.439 nan 8.230 nan 0.000 0.437 419 K N 0.274 120.571 120.400 -0.171 0.000 1.963 419 K HA -0.178 4.129 4.320 -0.022 0.000 0.216 419 K C 2.189 178.723 176.600 -0.111 0.000 1.045 419 K CA 2.203 58.417 56.287 -0.121 0.000 0.954 419 K CB -0.473 31.974 32.500 -0.088 0.000 0.732 419 K HN 0.479 nan 8.250 nan 0.000 0.442 420 S N 1.014 116.653 115.700 -0.100 0.000 2.387 420 S HA -0.202 4.255 4.470 -0.022 0.000 0.230 420 S C 2.164 176.712 174.600 -0.087 0.000 1.035 420 S CA 1.455 59.614 58.200 -0.068 0.000 1.014 420 S CB -0.599 62.586 63.200 -0.027 0.000 0.836 420 S HN 0.374 nan 8.310 nan 0.000 0.466 421 I N 2.045 122.491 120.570 -0.207 0.000 2.286 421 I HA 0.133 4.290 4.170 -0.022 0.000 0.248 421 I C 1.915 178.038 176.117 0.009 0.000 1.115 421 I CA 1.564 62.783 61.300 -0.135 0.000 1.392 421 I CB -0.525 37.303 38.000 -0.286 0.000 1.065 421 I HN 0.607 nan 8.210 nan 0.000 0.418 422 G N -1.284 107.500 108.800 -0.026 0.000 3.675 422 G HA2 -0.128 3.819 3.960 -0.022 0.000 0.206 422 G HA3 -0.128 3.819 3.960 -0.022 0.000 0.206 422 G C 0.685 175.586 174.900 0.001 0.000 1.086 422 G CA 0.019 45.146 45.100 0.044 0.000 0.894 422 G HN 0.190 nan 8.290 nan 0.000 0.412 423 L N 0.857 122.025 121.223 -0.092 0.000 2.949 423 L HA 0.491 4.818 4.340 -0.022 0.000 0.263 423 L C 0.648 177.428 176.870 -0.150 0.000 1.190 423 L CA 0.485 55.217 54.840 -0.179 0.000 1.022 423 L CB -0.023 41.796 42.059 -0.399 0.000 1.313 423 L HN 0.188 nan 8.230 nan 0.000 0.413 424 L N -0.753 120.412 121.223 -0.096 0.000 2.562 424 L HA 0.043 4.370 4.340 -0.022 0.000 0.307 424 L C 0.683 177.520 176.870 -0.055 0.000 1.292 424 L CA 0.023 54.813 54.840 -0.083 0.000 0.654 424 L CB 0.104 42.096 42.059 -0.111 0.000 0.997 424 L HN 0.207 nan 8.230 nan 0.000 0.521 425 S N -0.333 115.346 115.700 -0.035 0.000 2.558 425 S HA 0.091 4.548 4.470 -0.022 0.000 0.297 425 S C -1.947 172.639 174.600 -0.024 0.000 1.283 425 S CA -0.508 57.679 58.200 -0.022 0.000 1.044 425 S CB -0.581 62.614 63.200 -0.009 0.000 0.789 425 S HN 0.351 nan 8.310 nan 0.000 0.500 426 P HA -0.170 nan 4.420 nan 0.000 0.035 426 P C -0.289 176.998 177.300 -0.021 0.000 0.507 426 P CA 1.368 64.457 63.100 -0.018 0.000 1.047 426 P CB -0.663 31.030 31.700 -0.012 0.000 1.842 427 D N 0.999 121.382 120.400 -0.028 0.000 2.264 427 D HA 0.115 4.742 4.640 -0.022 0.000 0.249 427 D C 0.355 176.639 176.300 -0.026 0.000 1.070 427 D CA -0.522 53.461 54.000 -0.029 0.000 0.912 427 D CB 0.455 41.230 40.800 -0.041 0.000 1.193 427 D HN 0.167 nan 8.370 nan 0.000 0.427 428 F N 0.749 120.685 119.950 -0.023 0.000 2.258 428 F HA 0.314 4.828 4.527 -0.022 0.000 0.342 428 F C 1.931 177.715 175.800 -0.026 0.000 1.093 428 F CA 1.045 59.032 58.000 -0.022 0.000 0.882 428 F CB -1.963 37.025 39.000 -0.020 0.000 0.852 428 F HN 1.003 nan 8.300 nan 0.000 0.525 429 Q N 0.620 120.406 119.800 -0.023 0.000 2.667 429 Q HA -0.129 4.198 4.340 -0.022 0.000 0.466 429 Q C 1.368 177.350 176.000 -0.031 0.000 0.490 429 Q CA 4.066 59.856 55.803 -0.023 0.000 1.015 429 Q CB -1.711 27.015 28.738 -0.020 0.000 1.811 429 Q HN 2.768 nan 8.270 nan 0.000 1.096 430 E N 0.164 120.344 120.200 -0.033 0.000 3.279 430 E HA 0.428 4.765 4.350 -0.022 0.000 0.132 430 E C -0.314 176.260 176.600 -0.044 0.000 0.907 430 E CA 0.647 57.022 56.400 -0.042 0.000 1.491 430 E CB -0.671 29.007 29.700 -0.037 0.000 1.021 430 E HN 0.844 nan 8.360 nan 0.000 0.390 431 D N 0.958 121.329 120.400 -0.048 0.000 3.595 431 D HA -0.242 4.385 4.640 -0.022 0.000 0.171 431 D C 1.352 177.607 176.300 -0.075 0.000 1.006 431 D CA 1.362 55.324 54.000 -0.063 0.000 0.660 431 D CB 0.061 40.811 40.800 -0.083 0.000 1.108 431 D HN 0.818 nan 8.370 nan 0.000 0.529 432 N N 1.029 119.689 118.700 -0.068 0.000 2.586 432 N HA -0.237 4.490 4.740 -0.022 0.000 0.191 432 N C 1.101 176.542 175.510 -0.114 0.000 1.085 432 N CA 0.700 53.714 53.050 -0.059 0.000 0.921 432 N CB 0.146 38.613 38.487 -0.033 0.000 0.954 432 N HN 0.555 nan 8.380 nan 0.000 0.448 433 E N 0.318 120.401 120.200 -0.194 0.000 2.340 433 E HA -0.049 4.288 4.350 -0.022 0.000 0.198 433 E C 1.439 177.895 176.600 -0.239 0.000 0.961 433 E CA 0.721 56.891 56.400 -0.384 0.000 0.905 433 E CB 0.248 29.546 29.700 -0.670 0.000 0.884 433 E HN 0.569 nan 8.360 nan 0.000 0.491 434 T N -1.263 113.222 114.554 -0.117 0.000 3.051 434 T HA -0.078 4.259 4.350 -0.022 0.000 0.269 434 T C 1.442 176.163 174.700 0.034 0.000 1.127 434 T CA 0.767 62.859 62.100 -0.013 0.000 1.107 434 T CB 0.064 68.921 68.868 -0.019 0.000 0.898 434 T HN -0.039 nan 8.240 nan 0.000 0.517 435 E N 1.395 121.581 120.200 -0.023 0.000 2.005 435 E HA 0.102 4.439 4.350 -0.022 0.000 0.191 435 E C 1.839 178.406 176.600 -0.055 0.000 0.987 435 E CA 0.637 57.023 56.400 -0.023 0.000 0.814 435 E CB -0.540 29.120 29.700 -0.066 0.000 0.772 435 E HN 0.429 nan 8.360 nan 0.000 0.453 436 I N 1.548 122.037 120.570 -0.135 0.000 2.530 436 I HA -0.229 3.928 4.170 -0.022 0.000 0.257 436 I C 1.822 177.818 176.117 -0.203 0.000 1.179 436 I CA 0.964 62.069 61.300 -0.325 0.000 1.440 436 I CB -0.599 36.975 38.000 -0.710 0.000 1.087 436 I HN 0.124 nan 8.210 nan 0.000 0.440 437 N N 0.139 118.864 118.700 0.042 0.000 2.109 437 N HA -0.203 4.524 4.740 -0.022 0.000 0.188 437 N C 1.801 177.420 175.510 0.183 0.000 1.034 437 N CA 1.251 54.412 53.050 0.186 0.000 0.846 437 N CB -0.309 38.340 38.487 0.270 0.000 1.010 437 N HN 0.325 nan 8.380 nan 0.000 0.425 438 F N 0.736 120.690 119.950 0.007 0.000 2.113 438 F HA 0.022 4.536 4.527 -0.022 0.000 0.297 438 F C 1.857 177.648 175.800 -0.015 0.000 1.103 438 F CA 0.774 58.756 58.000 -0.030 0.000 1.248 438 F CB -0.870 38.088 39.000 -0.069 0.000 0.999 438 F HN 0.061 nan 8.300 nan 0.000 0.475 439 L N 0.394 121.240 121.223 -0.628 0.000 2.265 439 L HA -0.129 4.198 4.340 -0.022 0.000 0.215 439 L C 2.145 178.827 176.870 -0.312 0.000 1.117 439 L CA 1.170 55.654 54.840 -0.595 0.000 0.782 439 L CB -0.891 41.002 42.059 -0.276 0.000 0.914 439 L HN 0.395 nan 8.230 nan 0.000 0.441 440 L N -0.850 120.239 121.223 -0.223 0.000 2.240 440 L HA -0.161 4.166 4.340 -0.022 0.000 0.211 440 L C 2.299 179.138 176.870 -0.052 0.000 1.106 440 L CA 1.466 56.217 54.840 -0.149 0.000 0.793 440 L CB -0.628 41.368 42.059 -0.105 0.000 0.927 440 L HN 0.386 nan 8.230 nan 0.000 0.446 441 K N -0.492 119.858 120.400 -0.083 0.000 1.985 441 K HA -0.195 4.112 4.320 -0.022 0.000 0.210 441 K C 2.034 178.589 176.600 -0.075 0.000 1.047 441 K CA 1.391 57.583 56.287 -0.160 0.000 0.932 441 K CB 0.061 32.306 32.500 -0.424 0.000 0.716 441 K HN 0.278 nan 8.250 nan 0.000 0.439 442 Q N 0.278 120.028 119.800 -0.083 0.000 2.012 442 Q HA -0.263 4.065 4.340 -0.022 0.000 0.211 442 Q C 2.188 178.213 176.000 0.042 0.000 1.009 442 Q CA 2.066 57.915 55.803 0.076 0.000 0.866 442 Q CB -0.942 27.950 28.738 0.257 0.000 0.945 442 Q HN 0.479 nan 8.270 nan 0.000 0.414 443 A N 0.969 123.651 122.820 -0.231 0.000 1.915 443 A HA -0.232 4.075 4.320 -0.022 0.000 0.220 443 A C 2.197 179.699 177.584 -0.136 0.000 1.198 443 A CA 1.839 53.575 52.037 -0.502 0.000 0.647 443 A CB -0.783 17.861 19.000 -0.594 0.000 0.825 443 A HN 0.302 nan 8.150 nan 0.000 0.456 444 L N -0.762 120.462 121.223 0.002 0.000 2.013 444 L HA -0.148 4.179 4.340 -0.022 0.000 0.212 444 L C 2.728 179.673 176.870 0.125 0.000 1.073 444 L CA 2.563 57.499 54.840 0.161 0.000 0.753 444 L CB -1.274 40.924 42.059 0.232 0.000 0.890 444 L HN 0.430 nan 8.230 nan 0.000 0.432 445 T N -1.003 113.619 114.554 0.112 0.000 2.770 445 T HA 0.012 4.349 4.350 -0.022 0.000 0.258 445 T C 1.915 176.721 174.700 0.178 0.000 1.039 445 T CA 1.290 63.495 62.100 0.174 0.000 1.143 445 T CB 0.027 68.955 68.868 0.100 0.000 0.866 445 T HN 0.170 nan 8.240 nan 0.000 0.428 446 I N 0.689 121.351 120.570 0.152 0.000 2.235 446 I HA -0.066 4.091 4.170 -0.022 0.000 0.241 446 I C 2.374 178.546 176.117 0.091 0.000 1.085 446 I CA 0.833 62.241 61.300 0.180 0.000 1.378 446 I CB -0.310 37.905 38.000 0.359 0.000 1.076 446 I HN 0.054 nan 8.210 nan 0.000 0.415 447 V N 1.150 121.084 119.914 0.033 0.000 2.548 447 V HA -0.078 4.029 4.120 -0.022 0.000 0.249 447 V C 2.603 178.576 176.094 -0.202 0.000 1.055 447 V CA 1.717 63.994 62.300 -0.038 0.000 1.065 447 V CB -1.425 30.361 31.823 -0.061 0.000 0.681 447 V HN 0.553 nan 8.190 nan 0.000 0.462 448 G N -0.372 108.236 108.800 -0.320 0.000 2.476 448 G HA2 -0.334 3.613 3.960 -0.022 0.000 0.218 448 G HA3 -0.334 3.613 3.960 -0.022 0.000 0.218 448 G C 1.753 176.244 174.900 -0.680 0.000 1.164 448 G CA 1.782 46.386 45.100 -0.828 0.000 0.768 448 G HN 0.417 nan 8.290 nan 0.000 0.560 449 T N 0.510 114.829 114.554 -0.391 0.000 2.867 449 T HA 0.037 4.374 4.350 -0.022 0.000 0.268 449 T C 2.518 177.154 174.700 -0.105 0.000 1.057 449 T CA 0.844 62.768 62.100 -0.292 0.000 1.136 449 T CB -0.230 68.439 68.868 -0.331 0.000 0.874 449 T HN 0.208 nan 8.240 nan 0.000 0.466 450 L N 1.747 122.907 121.223 -0.105 0.000 1.978 450 L HA -0.130 4.197 4.340 -0.022 0.000 0.218 450 L C -0.238 176.675 176.870 0.071 0.000 1.075 450 L CA 1.858 56.697 54.840 -0.001 0.000 0.767 450 L CB -1.599 40.464 42.059 0.008 0.000 0.890 450 L HN 0.296 nan 8.230 nan 0.000 0.434 451 P HA -0.224 nan 4.420 nan 0.000 0.219 451 P C 1.644 178.874 177.300 -0.117 0.000 1.150 451 P CA 1.503 64.558 63.100 -0.075 0.000 0.814 451 P CB -0.118 31.328 31.700 -0.424 0.000 0.787 452 F N 1.496 121.325 119.950 -0.202 0.000 2.163 452 F HA -0.082 4.432 4.527 -0.021 0.000 0.297 452 F C 2.016 177.764 175.800 -0.088 0.000 1.094 452 F CA 1.722 59.626 58.000 -0.160 0.000 1.290 452 F CB -1.009 37.895 39.000 -0.160 0.000 1.017 452 F HN -0.180 nan 8.300 nan 0.000 0.483 453 T N 0.329 114.965 114.554 0.136 0.000 2.777 453 T HA -0.210 4.127 4.350 -0.022 0.000 0.266 453 T C 1.580 176.356 174.700 0.125 0.000 1.040 453 T CA 1.587 63.839 62.100 0.252 0.000 1.141 453 T CB -0.699 68.296 68.868 0.211 0.000 0.868 453 T HN 0.438 nan 8.240 nan 0.000 0.444 454 Y N 2.137 122.350 120.300 -0.145 0.000 2.084 454 Y HA -0.032 4.506 4.550 -0.021 0.000 0.279 454 Y C 2.392 178.067 175.900 -0.376 0.000 1.119 454 Y CA 0.924 58.822 58.100 -0.337 0.000 1.101 454 Y CB -1.221 36.881 38.460 -0.597 0.000 0.989 454 Y HN 0.030 nan 8.280 nan 0.000 0.484 455 M N 0.594 119.952 119.600 -0.403 0.000 2.113 455 M HA -0.286 4.181 4.480 -0.022 0.000 0.255 455 M C 2.425 178.495 176.300 -0.383 0.000 1.073 455 M CA 2.290 57.258 55.300 -0.552 0.000 1.091 455 M CB -1.301 30.936 32.600 -0.604 0.000 1.309 455 M HN 0.589 nan 8.290 nan 0.000 0.407 456 L N 0.422 121.366 121.223 -0.464 0.000 1.989 456 L HA -0.242 4.085 4.340 -0.022 0.000 0.211 456 L C 2.344 179.146 176.870 -0.114 0.000 1.071 456 L CA 1.860 56.523 54.840 -0.295 0.000 0.749 456 L CB -0.616 41.117 42.059 -0.543 0.000 0.890 456 L HN 0.310 nan 8.230 nan 0.000 0.431 457 E N -0.000 120.071 120.200 -0.215 0.000 2.153 457 E HA -0.260 4.077 4.350 -0.022 0.000 0.194 457 E C 2.070 178.287 176.600 -0.639 0.000 0.988 457 E CA 1.089 57.202 56.400 -0.478 0.000 0.811 457 E CB -0.042 29.232 29.700 -0.711 0.000 0.746 457 E HN 0.343 nan 8.360 nan 0.000 0.466 458 K N 0.611 120.862 120.400 -0.248 0.000 1.978 458 K HA -0.194 4.113 4.320 -0.022 0.000 0.214 458 K C 1.782 178.474 176.600 0.152 0.000 1.049 458 K CA 1.699 58.072 56.287 0.143 0.000 0.939 458 K CB -1.059 31.598 32.500 0.261 0.000 0.721 458 K HN 0.171 nan 8.250 nan 0.000 0.441 459 W N 1.397 122.655 121.300 -0.070 0.000 2.305 459 W HA -0.272 4.376 4.660 -0.021 0.000 0.308 459 W C 2.251 178.689 176.519 -0.135 0.000 1.226 459 W CA 2.641 59.968 57.345 -0.029 0.000 1.253 459 W CB -0.253 29.274 29.460 0.112 0.000 1.146 459 W HN 0.173 nan 8.180 nan 0.000 0.507 460 R N -0.285 120.287 120.500 0.119 0.000 2.105 460 R HA -0.202 4.125 4.340 -0.022 0.000 0.239 460 R C 2.035 177.991 176.300 -0.572 0.000 1.135 460 R CA 2.339 58.295 56.100 -0.240 0.000 0.967 460 R CB -1.069 29.155 30.300 -0.128 0.000 0.861 460 R HN 0.264 nan 8.270 nan 0.000 0.442 461 W N -0.039 121.101 121.300 -0.266 0.000 2.452 461 W HA -0.059 4.588 4.660 -0.021 0.000 0.313 461 W C 1.885 178.266 176.519 -0.231 0.000 1.176 461 W CA 0.464 57.693 57.345 -0.193 0.000 1.350 461 W CB -0.997 28.442 29.460 -0.035 0.000 1.148 461 W HN 0.100 nan 8.180 nan 0.000 0.498 462 M N 0.334 119.956 119.600 0.037 0.000 2.124 462 M HA -0.240 4.227 4.480 -0.022 0.000 0.253 462 M C 1.781 177.953 176.300 -0.214 0.000 1.077 462 M CA 1.688 56.936 55.300 -0.088 0.000 1.085 462 M CB -1.995 30.511 32.600 -0.157 0.000 1.320 462 M HN -0.146 nan 8.290 nan 0.000 0.404 463 V N -0.070 119.540 119.914 -0.505 0.000 2.237 463 V HA -0.263 3.844 4.120 -0.022 0.000 0.245 463 V C 2.293 178.330 176.094 -0.095 0.000 1.046 463 V CA 1.974 63.966 62.300 -0.513 0.000 1.007 463 V CB -0.977 30.194 31.823 -1.087 0.000 0.638 463 V HN 0.313 nan 8.190 nan 0.000 0.445 464 F N 0.312 120.167 119.950 -0.157 0.000 2.126 464 F HA -0.268 4.247 4.527 -0.021 0.000 0.299 464 F C 2.596 178.368 175.800 -0.047 0.000 1.096 464 F CA 1.807 59.752 58.000 -0.092 0.000 1.255 464 F CB -0.314 38.657 39.000 -0.048 0.000 0.997 464 F HN 0.100 nan 8.300 nan 0.000 0.479 465 K N -0.045 120.451 120.400 0.159 0.000 1.969 465 K HA -0.128 4.179 4.320 -0.022 0.000 0.216 465 K C 1.600 178.235 176.600 0.059 0.000 1.048 465 K CA 2.290 58.627 56.287 0.084 0.000 0.948 465 K CB -0.419 32.111 32.500 0.050 0.000 0.726 465 K HN 0.347 nan 8.250 nan 0.000 0.442 466 G N -1.315 107.508 108.800 0.039 0.000 3.259 466 G HA2 -0.158 3.789 3.960 -0.022 0.000 0.217 466 G HA3 -0.158 3.789 3.960 -0.022 0.000 0.217 466 G C 0.193 175.118 174.900 0.042 0.000 0.993 466 G CA 0.207 45.336 45.100 0.048 0.000 0.836 466 G HN 0.358 nan 8.290 nan 0.000 0.514 467 E N 0.363 120.577 120.200 0.023 0.000 2.483 467 E HA -0.016 4.321 4.350 -0.022 0.000 0.205 467 E C 0.283 176.907 176.600 0.040 0.000 1.075 467 E CA 0.790 57.208 56.400 0.030 0.000 0.889 467 E CB -0.053 29.662 29.700 0.025 0.000 0.816 467 E HN 0.580 nan 8.360 nan 0.000 0.567 468 I N 1.641 122.235 120.570 0.041 0.000 2.560 468 I HA 0.189 4.346 4.170 -0.022 0.000 0.278 468 I C -2.515 173.759 176.117 0.262 0.000 1.089 468 I CA -2.258 59.110 61.300 0.113 0.000 1.086 468 I CB 1.842 39.820 38.000 -0.037 0.000 1.202 468 I HN -0.234 nan 8.210 nan 0.000 0.471 469 P HA 0.144 nan 4.420 nan 0.000 0.271 469 P C 0.379 177.733 177.300 0.090 0.000 1.216 469 P CA -0.193 63.002 63.100 0.159 0.000 0.771 469 P CB 1.241 32.995 31.700 0.090 0.000 0.864 470 K N 1.910 122.242 120.400 -0.113 0.000 2.169 470 K HA -0.225 4.082 4.320 -0.022 0.000 0.213 470 K C 1.251 177.548 176.600 -0.505 0.000 1.050 470 K CA 2.369 58.244 56.287 -0.688 0.000 0.935 470 K CB -0.531 31.667 32.500 -0.504 0.000 0.722 470 K HN 0.666 nan 8.250 nan 0.000 0.468 471 D N 0.179 120.479 120.400 -0.166 0.000 2.352 471 D HA -0.114 4.513 4.640 -0.022 0.000 0.232 471 D C 0.476 176.824 176.300 0.080 0.000 1.055 471 D CA 0.568 54.541 54.000 -0.045 0.000 0.891 471 D CB 0.236 41.032 40.800 -0.006 0.000 0.897 471 D HN 0.181 nan 8.370 nan 0.000 0.529 472 Q N -0.660 119.238 119.800 0.163 0.000 2.088 472 Q HA 0.083 4.410 4.340 -0.022 0.000 0.270 472 Q C 0.401 176.737 176.000 0.560 0.000 0.854 472 Q CA -0.438 55.551 55.803 0.310 0.000 1.104 472 Q CB -0.152 28.740 28.738 0.258 0.000 1.251 472 Q HN 0.266 nan 8.270 nan 0.000 0.436 473 W N 0.666 122.166 121.300 0.335 0.000 2.452 473 W HA 0.050 4.696 4.660 -0.022 0.000 0.313 473 W C 1.605 178.481 176.519 0.594 0.000 1.176 473 W CA 0.518 58.198 57.345 0.560 0.000 1.350 473 W CB -0.283 29.504 29.460 0.545 0.000 1.148 473 W HN 0.174 nan 8.180 nan 0.000 0.498 474 M N 0.516 120.509 119.600 0.654 0.000 2.630 474 M HA -0.061 4.406 4.480 -0.022 0.000 0.254 474 M C 1.631 178.300 176.300 0.615 0.000 1.092 474 M CA 0.791 56.428 55.300 0.561 0.000 1.087 474 M CB -1.250 31.647 32.600 0.494 0.000 1.453 474 M HN -0.110 nan 8.290 nan 0.000 0.509 475 K N 0.990 121.707 120.400 0.529 0.000 1.975 475 K HA -0.064 4.243 4.320 -0.022 0.000 0.217 475 K C 1.867 178.734 176.600 0.445 0.000 1.037 475 K CA 0.996 57.543 56.287 0.433 0.000 0.971 475 K CB -0.317 32.395 32.500 0.353 0.000 0.749 475 K HN 0.108 nan 8.250 nan 0.000 0.444 476 K N 0.500 121.174 120.400 0.458 0.000 2.127 476 K HA -0.212 4.095 4.320 -0.022 0.000 0.208 476 K C 1.863 178.692 176.600 0.383 0.000 1.047 476 K CA 0.970 57.504 56.287 0.412 0.000 0.927 476 K CB -0.515 32.251 32.500 0.442 0.000 0.716 476 K HN 0.497 nan 8.250 nan 0.000 0.450 477 W N 0.053 121.478 121.300 0.209 0.000 2.321 477 W HA -0.248 4.399 4.660 -0.022 0.000 0.306 477 W C 1.144 177.461 176.519 -0.336 0.000 1.217 477 W CA 1.308 58.469 57.345 -0.306 0.000 1.257 477 W CB -0.395 28.655 29.460 -0.683 0.000 1.145 477 W HN 0.154 nan 8.180 nan 0.000 0.509 478 W N 0.135 121.504 121.300 0.114 0.000 2.812 478 W HA 0.042 4.690 4.660 -0.021 0.000 0.263 478 W C 2.354 178.894 176.519 0.035 0.000 1.284 478 W CA 0.619 57.990 57.345 0.042 0.000 1.430 478 W CB -0.667 28.910 29.460 0.195 0.000 1.088 478 W HN -0.124 nan 8.180 nan 0.000 0.623 479 E N 0.571 120.935 120.200 0.274 0.000 2.031 479 E HA -0.246 4.091 4.350 -0.022 0.000 0.193 479 E C 2.149 178.815 176.600 0.111 0.000 0.994 479 E CA 2.006 58.528 56.400 0.204 0.000 0.800 479 E CB -0.291 29.529 29.700 0.199 0.000 0.752 479 E HN 0.149 nan 8.360 nan 0.000 0.447 480 M N 0.274 119.883 119.600 0.016 0.000 2.065 480 M HA -0.201 4.266 4.480 -0.022 0.000 0.259 480 M C 2.268 178.440 176.300 -0.213 0.000 1.071 480 M CA 1.316 56.550 55.300 -0.110 0.000 1.109 480 M CB -0.290 32.184 32.600 -0.210 0.000 1.313 480 M HN -0.082 nan 8.290 nan 0.000 0.408 481 K N 0.252 120.404 120.400 -0.414 0.000 2.293 481 K HA -0.167 4.140 4.320 -0.022 0.000 0.204 481 K C 1.940 178.482 176.600 -0.096 0.000 1.045 481 K CA 1.479 57.536 56.287 -0.383 0.000 0.933 481 K CB -0.259 31.943 32.500 -0.496 0.000 0.736 481 K HN 0.408 nan 8.250 nan 0.000 0.463 482 R N 0.085 120.598 120.500 0.021 0.000 2.057 482 R HA -0.025 4.302 4.340 -0.022 0.000 0.224 482 R C 2.223 178.619 176.300 0.160 0.000 1.136 482 R CA 0.969 57.122 56.100 0.089 0.000 0.968 482 R CB 0.039 30.451 30.300 0.186 0.000 0.863 482 R HN 0.270 nan 8.270 nan 0.000 0.433 483 E N 0.556 120.886 120.200 0.216 0.000 2.001 483 E HA -0.147 4.190 4.350 -0.022 0.000 0.193 483 E C 2.057 178.941 176.600 0.473 0.000 0.994 483 E CA 1.314 57.935 56.400 0.368 0.000 0.815 483 E CB -0.104 29.728 29.700 0.221 0.000 0.770 483 E HN 0.218 nan 8.360 nan 0.000 0.453 484 I N 1.030 121.740 120.570 0.233 0.000 2.060 484 I HA -0.245 3.912 4.170 -0.022 0.000 0.233 484 I C 2.506 178.766 176.117 0.238 0.000 1.054 484 I CA 0.898 62.331 61.300 0.223 0.000 1.318 484 I CB -0.689 37.267 38.000 -0.073 0.000 1.054 484 I HN -0.035 nan 8.210 nan 0.000 0.395 485 V N 0.926 120.840 119.914 -0.001 0.000 2.332 485 V HA -0.145 3.962 4.120 -0.022 0.000 0.248 485 V C 1.475 177.513 176.094 -0.094 0.000 1.055 485 V CA 1.627 63.936 62.300 0.014 0.000 1.038 485 V CB -1.517 30.284 31.823 -0.035 0.000 0.651 485 V HN 0.868 nan 8.190 nan 0.000 0.450 486 G N -0.272 108.235 108.800 -0.488 0.000 2.414 486 G HA2 -0.120 3.827 3.960 -0.022 0.000 0.256 486 G HA3 -0.120 3.827 3.960 -0.022 0.000 0.256 486 G C -0.470 174.097 174.900 -0.556 0.000 1.128 486 G CA 0.062 44.255 45.100 -1.512 0.000 0.944 486 G HN 0.556 nan 8.290 nan 0.000 0.500 487 V N -0.639 119.163 119.914 -0.186 0.000 2.932 487 V HA 0.801 4.908 4.120 -0.022 0.000 0.307 487 V C -0.250 175.966 176.094 0.204 0.000 1.147 487 V CA -0.510 61.829 62.300 0.065 0.000 0.951 487 V CB 2.264 34.200 31.823 0.188 0.000 1.031 487 V HN 0.795 nan 8.190 nan 0.000 0.426 488 V N 3.753 123.821 119.914 0.257 0.000 2.864 488 V HA 0.685 4.792 4.120 -0.022 0.000 0.314 488 V C -0.735 175.474 176.094 0.192 0.000 1.073 488 V CA -0.488 61.988 62.300 0.294 0.000 0.956 488 V CB 2.245 34.228 31.823 0.268 0.000 1.023 488 V HN 1.013 nan 8.190 nan 0.000 0.435 489 E N 5.744 125.876 120.200 -0.114 0.000 2.283 489 E HA 0.346 4.683 4.350 -0.022 0.000 0.278 489 E C -2.561 173.848 176.600 -0.318 0.000 1.027 489 E CA -2.071 53.965 56.400 -0.608 0.000 0.843 489 E CB 1.423 30.135 29.700 -1.647 0.000 1.062 489 E HN 0.402 nan 8.360 nan 0.000 0.401 490 P HA 0.013 nan 4.420 nan 0.000 0.237 490 P C -0.525 176.529 177.300 -0.411 0.000 1.178 490 P CA 0.536 63.428 63.100 -0.347 0.000 0.766 490 P CB 0.425 31.676 31.700 -0.749 0.000 0.876 491 V N -0.920 118.561 119.914 -0.722 0.000 2.789 491 V HA 0.240 4.347 4.120 -0.022 0.000 0.300 491 V C -2.726 172.676 176.094 -1.152 0.000 1.184 491 V CA -2.177 59.545 62.300 -0.963 0.000 0.930 491 V CB 2.364 33.816 31.823 -0.619 0.000 1.041 491 V HN -0.231 nan 8.190 nan 0.000 0.430 492 P HA 0.102 nan 4.420 nan 0.000 0.260 492 P C -0.762 176.212 177.300 -0.543 0.000 1.185 492 P CA 0.366 63.084 63.100 -0.636 0.000 0.763 492 P CB 0.015 31.472 31.700 -0.404 0.000 0.776 493 H N 2.460 121.311 119.070 -0.365 0.000 2.597 493 H HA 0.152 4.695 4.556 -0.022 0.000 0.303 493 H C 0.353 175.688 175.328 0.012 0.000 1.057 493 H CA -0.450 55.321 56.048 -0.462 0.000 1.261 493 H CB 0.577 29.901 29.762 -0.731 0.000 1.397 493 H HN 0.424 nan 8.280 nan 0.000 0.461 494 D N 2.102 122.732 120.400 0.384 0.000 2.361 494 D HA -0.086 4.541 4.640 -0.022 0.000 0.239 494 D C 0.569 177.099 176.300 0.384 0.000 1.200 494 D CA -0.053 54.149 54.000 0.337 0.000 0.915 494 D CB 1.023 41.990 40.800 0.278 0.000 1.170 494 D HN 0.388 nan 8.370 nan 0.000 0.444 495 E N 1.092 121.445 120.200 0.255 0.000 2.357 495 E HA -0.052 4.286 4.350 -0.022 0.000 0.194 495 E C 0.742 177.436 176.600 0.157 0.000 1.177 495 E CA 0.149 56.681 56.400 0.220 0.000 0.998 495 E CB -0.481 29.303 29.700 0.140 0.000 1.106 495 E HN 0.454 nan 8.360 nan 0.000 0.470 496 T N -1.209 113.451 114.554 0.176 0.000 3.040 496 T HA 0.028 4.365 4.350 -0.022 0.000 0.252 496 T C 0.741 175.433 174.700 -0.013 0.000 1.064 496 T CA 0.199 62.318 62.100 0.031 0.000 1.110 496 T CB 0.095 68.931 68.868 -0.052 0.000 0.921 496 T HN 0.063 nan 8.240 nan 0.000 0.480 497 Y N 0.135 120.456 120.300 0.035 0.000 2.555 497 Y HA 0.370 4.907 4.550 -0.022 0.000 0.447 497 Y C 1.315 177.196 175.900 -0.032 0.000 1.389 497 Y CA -0.358 57.722 58.100 -0.033 0.000 2.017 497 Y CB 0.175 38.598 38.460 -0.062 0.000 1.787 497 Y HN 0.082 nan 8.280 nan 0.000 0.655 498 C N 0.899 120.255 119.300 0.094 0.000 2.308 498 C HA 0.055 4.502 4.460 -0.022 0.000 0.318 498 C C 0.554 175.341 174.990 -0.338 0.000 1.021 498 C CA -0.874 58.087 59.018 -0.096 0.000 0.638 498 C CB -1.926 25.785 27.740 -0.048 0.000 1.623 498 C HN 0.840 nan 8.230 nan 0.000 0.773 499 D N 2.480 122.644 120.400 -0.394 0.000 2.172 499 D HA -0.093 4.534 4.640 -0.022 0.000 0.196 499 D C -0.841 175.053 176.300 -0.677 0.000 0.999 499 D CA 1.652 55.380 54.000 -0.453 0.000 0.856 499 D CB -0.530 40.097 40.800 -0.288 0.000 0.934 499 D HN 0.568 nan 8.370 nan 0.000 0.453 500 P HA 0.217 nan 4.420 nan 0.000 0.249 500 P C -0.358 176.416 177.300 -0.877 0.000 1.593 500 P CA 0.419 62.687 63.100 -1.387 0.000 0.896 500 P CB 0.195 30.285 31.700 -2.684 0.000 1.581 501 A N -0.127 122.318 122.820 -0.626 0.000 2.592 501 A HA 0.301 4.608 4.320 -0.022 0.000 0.290 501 A C 1.035 178.486 177.584 -0.222 0.000 0.998 501 A CA 0.006 51.725 52.037 -0.529 0.000 0.983 501 A CB -0.040 18.567 19.000 -0.655 0.000 1.240 501 A HN 0.187 nan 8.150 nan 0.000 0.535 502 S N -0.666 115.001 115.700 -0.055 0.000 2.855 502 S HA 0.366 4.823 4.470 -0.022 0.000 0.249 502 S C 0.074 175.109 174.600 0.726 0.000 1.033 502 S CA -0.201 58.219 58.200 0.367 0.000 1.038 502 S CB -0.078 63.263 63.200 0.235 0.000 0.960 502 S HN 0.416 nan 8.310 nan 0.000 0.548 503 L N 2.049 123.291 121.223 0.031 0.000 2.825 503 L HA 0.408 4.735 4.340 -0.022 0.000 0.236 503 L C 0.516 177.168 176.870 -0.363 0.000 1.301 503 L CA -0.619 53.864 54.840 -0.595 0.000 0.977 503 L CB -0.403 41.120 42.059 -0.893 0.000 1.300 503 L HN 0.319 nan 8.230 nan 0.000 0.486 504 F N 1.422 120.957 119.950 -0.691 0.000 2.441 504 F HA -0.568 3.946 4.527 -0.021 0.000 0.218 504 F C 2.077 177.565 175.800 -0.519 0.000 1.375 504 F CA 2.662 60.016 58.000 -1.077 0.000 1.944 504 F CB -0.724 37.764 39.000 -0.854 0.000 0.508 504 F HN 0.609 nan 8.300 nan 0.000 0.307 505 H N -0.598 118.181 119.070 -0.486 0.000 2.330 505 H HA -0.301 4.242 4.556 -0.022 0.000 0.278 505 H C 1.980 177.167 175.328 -0.234 0.000 1.141 505 H CA 2.505 58.401 56.048 -0.254 0.000 1.145 505 H CB -1.271 28.534 29.762 0.072 0.000 1.363 505 H HN 0.399 nan 8.280 nan 0.000 0.468 506 V N 1.102 120.924 119.914 -0.152 0.000 2.232 506 V HA -0.252 3.855 4.120 -0.022 0.000 0.237 506 V C 2.599 178.612 176.094 -0.135 0.000 1.035 506 V CA 2.192 64.440 62.300 -0.088 0.000 0.988 506 V CB -0.878 30.795 31.823 -0.251 0.000 0.636 506 V HN 0.609 nan 8.190 nan 0.000 0.456 507 S N 0.744 116.285 115.700 -0.266 0.000 2.504 507 S HA -0.209 4.248 4.470 -0.022 0.000 0.257 507 S C 0.906 175.325 174.600 -0.302 0.000 0.986 507 S CA 1.762 59.810 58.200 -0.253 0.000 0.965 507 S CB -0.762 62.317 63.200 -0.203 0.000 0.744 507 S HN 0.783 nan 8.310 nan 0.000 0.523 508 N N 0.909 119.368 118.700 -0.402 0.000 2.497 508 N HA 0.160 4.887 4.740 -0.022 0.000 0.284 508 N C -0.829 174.505 175.510 -0.293 0.000 1.459 508 N CA 0.097 52.926 53.050 -0.369 0.000 0.899 508 N CB 0.558 38.659 38.487 -0.643 0.000 1.316 508 N HN 0.148 nan 8.380 nan 0.000 0.500 509 D N 0.704 121.031 120.400 -0.122 0.000 4.230 509 D HA -0.278 4.349 4.640 -0.022 0.000 0.138 509 D C -0.474 175.825 176.300 -0.000 0.000 0.772 509 D CA 1.550 55.624 54.000 0.122 0.000 1.136 509 D CB -0.890 39.912 40.800 0.003 0.000 0.547 509 D HN 0.239 nan 8.370 nan 0.000 0.537 510 Y N -0.534 119.762 120.300 -0.008 0.000 2.634 510 Y HA -0.152 4.385 4.550 -0.021 0.000 0.072 510 Y C 1.174 176.812 175.900 -0.436 0.000 1.791 510 Y CA 0.525 58.512 58.100 -0.188 0.000 1.315 510 Y CB -1.391 36.967 38.460 -0.171 0.000 1.961 510 Y HN 0.335 nan 8.280 nan 0.000 0.276 511 S N 1.815 117.017 115.700 -0.829 0.000 2.576 511 S HA 0.282 4.739 4.470 -0.022 0.000 0.272 511 S C 0.590 175.020 174.600 -0.284 0.000 1.352 511 S CA 0.070 57.548 58.200 -1.203 0.000 1.021 511 S CB 0.869 63.429 63.200 -1.068 0.000 0.887 511 S HN 0.566 nan 8.310 nan 0.000 0.542 512 F N 0.402 120.178 119.950 -0.290 0.000 2.602 512 F HA 0.296 4.809 4.527 -0.022 0.000 0.284 512 F C 1.747 177.566 175.800 0.031 0.000 1.111 512 F CA -0.318 57.690 58.000 0.013 0.000 1.405 512 F CB -0.002 38.985 39.000 -0.021 0.000 1.121 512 F HN 0.600 nan 8.300 nan 0.000 0.603 513 I N 1.674 122.180 120.570 -0.106 0.000 2.657 513 I HA -0.264 3.893 4.170 -0.022 0.000 0.261 513 I C 1.964 178.026 176.117 -0.091 0.000 1.212 513 I CA 1.270 62.509 61.300 -0.102 0.000 1.453 513 I CB -0.505 37.443 38.000 -0.087 0.000 1.092 513 I HN 0.056 nan 8.210 nan 0.000 0.452 514 R N -1.169 119.203 120.500 -0.213 0.000 2.152 514 R HA -0.175 4.152 4.340 -0.022 0.000 0.232 514 R C 1.735 177.834 176.300 -0.335 0.000 1.117 514 R CA 1.492 57.456 56.100 -0.227 0.000 0.981 514 R CB -1.157 28.916 30.300 -0.378 0.000 0.870 514 R HN 0.349 nan 8.270 nan 0.000 0.451 515 Y N -0.826 119.338 120.300 -0.226 0.000 2.314 515 Y HA -0.094 4.444 4.550 -0.021 0.000 0.293 515 Y C 2.104 177.892 175.900 -0.188 0.000 1.129 515 Y CA 0.501 58.447 58.100 -0.256 0.000 1.201 515 Y CB -0.532 37.620 38.460 -0.514 0.000 0.999 515 Y HN 0.052 nan 8.280 nan 0.000 0.541 516 Y N 1.149 121.376 120.300 -0.121 0.000 2.109 516 Y HA -0.261 4.277 4.550 -0.022 0.000 0.285 516 Y C 2.768 178.548 175.900 -0.201 0.000 1.131 516 Y CA 2.360 60.379 58.100 -0.135 0.000 1.121 516 Y CB -0.678 37.677 38.460 -0.175 0.000 0.987 516 Y HN 0.197 nan 8.280 nan 0.000 0.495 517 T N -0.077 114.449 114.554 -0.046 0.000 2.720 517 T HA -0.275 4.062 4.350 -0.022 0.000 0.268 517 T C 2.099 176.385 174.700 -0.691 0.000 1.037 517 T CA 1.525 63.386 62.100 -0.397 0.000 1.144 517 T CB -0.687 68.001 68.868 -0.299 0.000 0.864 517 T HN 0.424 nan 8.240 nan 0.000 0.444 518 R N 1.501 121.802 120.500 -0.332 0.000 2.105 518 R HA -0.137 4.190 4.340 -0.022 0.000 0.239 518 R C 2.147 178.315 176.300 -0.220 0.000 1.135 518 R CA 2.101 58.092 56.100 -0.182 0.000 0.967 518 R CB -1.429 28.826 30.300 -0.075 0.000 0.861 518 R HN 0.447 nan 8.270 nan 0.000 0.442 519 T N 1.683 116.093 114.554 -0.241 0.000 2.746 519 T HA -0.099 4.238 4.350 -0.022 0.000 0.267 519 T C 1.817 176.402 174.700 -0.193 0.000 1.039 519 T CA 1.489 63.457 62.100 -0.219 0.000 1.142 519 T CB -0.092 68.662 68.868 -0.190 0.000 0.866 519 T HN 0.113 nan 8.240 nan 0.000 0.444 520 L N -0.391 120.690 121.223 -0.238 0.000 2.131 520 L HA 0.064 4.391 4.340 -0.022 0.000 0.206 520 L C 2.188 179.074 176.870 0.027 0.000 1.087 520 L CA 1.305 56.096 54.840 -0.083 0.000 0.767 520 L CB -0.814 41.164 42.059 -0.135 0.000 0.917 520 L HN 0.223 nan 8.230 nan 0.000 0.441 521 Y N -0.025 120.282 120.300 0.011 0.000 2.097 521 Y HA -0.331 4.206 4.550 -0.022 0.000 0.282 521 Y C 2.722 178.703 175.900 0.135 0.000 1.152 521 Y CA 1.205 59.386 58.100 0.135 0.000 1.136 521 Y CB -1.180 37.352 38.460 0.119 0.000 0.975 521 Y HN 0.278 nan 8.280 nan 0.000 0.498 522 Q N -0.571 119.228 119.800 -0.001 0.000 2.105 522 Q HA -0.298 4.029 4.340 -0.022 0.000 0.217 522 Q C 1.913 177.695 176.000 -0.365 0.000 1.029 522 Q CA 2.838 58.442 55.803 -0.332 0.000 0.899 522 Q CB -0.515 27.817 28.738 -0.677 0.000 1.000 522 Q HN 0.469 nan 8.270 nan 0.000 0.414 523 F N 0.147 120.078 119.950 -0.031 0.000 2.456 523 F HA -0.037 4.477 4.527 -0.022 0.000 0.298 523 F C 2.422 178.219 175.800 -0.005 0.000 1.104 523 F CA 0.809 58.766 58.000 -0.072 0.000 1.435 523 F CB -0.189 38.709 39.000 -0.171 0.000 1.078 523 F HN 0.166 nan 8.300 nan 0.000 0.546 524 Q N -0.446 119.448 119.800 0.157 0.000 2.046 524 Q HA -0.149 4.178 4.340 -0.022 0.000 0.200 524 Q C 2.070 178.041 176.000 -0.049 0.000 0.975 524 Q CA 1.593 57.411 55.803 0.026 0.000 0.836 524 Q CB -0.579 28.125 28.738 -0.057 0.000 0.896 524 Q HN 0.365 nan 8.270 nan 0.000 0.428 525 F N 1.052 120.967 119.950 -0.059 0.000 2.269 525 F HA -0.186 4.328 4.527 -0.022 0.000 0.301 525 F C 2.533 178.297 175.800 -0.059 0.000 1.082 525 F CA 1.148 59.092 58.000 -0.094 0.000 1.360 525 F CB -0.081 38.810 39.000 -0.182 0.000 1.041 525 F HN 0.098 nan 8.300 nan 0.000 0.512 526 Q N 0.464 120.341 119.800 0.129 0.000 2.212 526 Q HA -0.111 4.216 4.340 -0.022 0.000 0.199 526 Q C 1.911 177.967 176.000 0.093 0.000 0.950 526 Q CA 1.154 57.010 55.803 0.089 0.000 0.863 526 Q CB -0.223 28.561 28.738 0.076 0.000 0.944 526 Q HN 0.450 nan 8.270 nan 0.000 0.465 527 E N -1.359 118.899 120.200 0.097 0.000 2.478 527 E HA -0.048 4.289 4.350 -0.022 0.000 0.198 527 E C 1.035 177.670 176.600 0.059 0.000 1.046 527 E CA 0.638 57.089 56.400 0.084 0.000 0.870 527 E CB 0.114 29.858 29.700 0.072 0.000 0.818 527 E HN 0.447 nan 8.360 nan 0.000 0.527 528 A N 0.003 122.847 122.820 0.041 0.000 1.920 528 A HA 0.089 4.396 4.320 -0.022 0.000 0.209 528 A C 1.916 179.527 177.584 0.044 0.000 1.229 528 A CA 0.001 52.053 52.037 0.026 0.000 0.671 528 A CB -0.198 18.792 19.000 -0.016 0.000 0.886 528 A HN 0.203 nan 8.150 nan 0.000 0.461 529 L N -0.218 121.038 121.223 0.055 0.000 2.093 529 L HA -0.207 4.120 4.340 -0.022 0.000 0.208 529 L C 2.598 179.500 176.870 0.053 0.000 1.085 529 L CA 1.024 55.896 54.840 0.053 0.000 0.755 529 L CB -0.846 41.246 42.059 0.055 0.000 0.904 529 L HN 0.467 nan 8.230 nan 0.000 0.435 530 c N -0.593 118.041 118.600 0.057 0.000 2.413 530 c HA -0.224 4.333 4.570 -0.022 0.000 0.277 530 c C 2.727 176.889 174.090 0.121 0.000 1.228 530 c CA 0.740 57.111 56.329 0.071 0.000 1.731 530 c CB -0.880 41.659 42.510 0.048 0.000 2.042 530 c HN 0.526 nan 8.230 nan 0.000 0.468 531 Q N 0.177 120.041 119.800 0.107 0.000 2.541 531 Q HA 0.018 4.345 4.340 -0.022 0.000 0.215 531 Q C 1.479 177.517 176.000 0.063 0.000 0.977 531 Q CA 0.914 56.770 55.803 0.087 0.000 0.934 531 Q CB -0.043 28.735 28.738 0.067 0.000 0.988 531 Q HN 0.724 nan 8.270 nan 0.000 0.521 532 A N -1.200 121.655 122.820 0.059 0.000 2.535 532 A HA 0.571 4.878 4.320 -0.022 0.000 0.273 532 A C 0.831 178.440 177.584 0.043 0.000 1.267 532 A CA 0.379 52.444 52.037 0.045 0.000 0.940 532 A CB 0.547 19.572 19.000 0.042 0.000 1.101 532 A HN 0.253 nan 8.150 nan 0.000 0.521 533 A N -0.843 122.010 122.820 0.055 0.000 2.716 533 A HA 0.524 4.831 4.320 -0.022 0.000 0.252 533 A C 0.498 178.123 177.584 0.069 0.000 1.144 533 A CA 0.319 52.386 52.037 0.050 0.000 0.995 533 A CB 0.014 19.041 19.000 0.044 0.000 1.252 533 A HN 0.467 nan 8.150 nan 0.000 0.593 534 K N 0.621 121.066 120.400 0.075 0.000 4.868 534 K HA -0.227 4.080 4.320 -0.022 0.000 0.324 534 K C -0.658 176.010 176.600 0.114 0.000 0.971 534 K CA 0.980 57.311 56.287 0.074 0.000 1.034 534 K CB -2.351 30.176 32.500 0.045 0.000 1.672 534 K HN 0.928 nan 8.250 nan 0.000 0.426 535 H N 0.928 120.017 119.070 0.031 0.000 2.567 535 H HA 0.674 5.217 4.556 -0.022 0.000 0.345 535 H C -0.383 174.965 175.328 0.034 0.000 1.169 535 H CA -0.547 55.524 56.048 0.038 0.000 1.227 535 H CB 1.658 31.450 29.762 0.051 0.000 1.607 535 H HN 0.397 nan 8.280 nan 0.000 0.534 536 E N 1.507 121.229 120.200 -0.798 0.000 3.918 536 E HA 0.353 4.690 4.350 -0.022 0.000 0.183 536 E C -0.847 175.435 176.600 -0.529 0.000 1.021 536 E CA 0.068 56.174 56.400 -0.490 0.000 1.431 536 E CB 0.533 30.109 29.700 -0.207 0.000 1.140 536 E HN 0.829 nan 8.360 nan 0.000 0.435 537 G N 0.015 108.293 108.800 -0.871 0.000 2.749 537 G HA2 0.538 4.486 3.960 -0.022 0.000 0.300 537 G HA3 0.538 4.486 3.960 -0.022 0.000 0.300 537 G C -2.835 172.159 174.900 0.156 0.000 1.352 537 G CA -1.312 43.671 45.100 -0.195 0.000 0.789 537 G HN -0.083 nan 8.290 nan 0.000 0.509 538 P HA 0.225 nan 4.420 nan 0.000 0.272 538 P C 1.378 178.839 177.300 0.270 0.000 1.230 538 P CA -0.491 62.667 63.100 0.097 0.000 0.788 538 P CB 0.659 32.234 31.700 -0.208 0.000 0.949 539 L N 0.416 121.718 121.223 0.131 0.000 2.450 539 L HA -0.088 4.239 4.340 -0.022 0.000 0.224 539 L C 1.498 178.499 176.870 0.218 0.000 1.149 539 L CA 1.196 56.126 54.840 0.150 0.000 0.816 539 L CB -1.456 40.724 42.059 0.201 0.000 0.932 539 L HN 0.534 nan 8.230 nan 0.000 0.449 540 H N -1.464 117.576 119.070 -0.051 0.000 2.708 540 H HA 0.270 4.813 4.556 -0.022 0.000 0.309 540 H C 0.481 175.856 175.328 0.077 0.000 1.084 540 H CA -0.540 55.409 56.048 -0.164 0.000 1.165 540 H CB 0.255 29.551 29.762 -0.777 0.000 1.388 540 H HN 0.221 nan 8.280 nan 0.000 0.553 541 K N 0.496 121.058 120.400 0.269 0.000 2.608 541 K HA 0.061 4.368 4.320 -0.022 0.000 0.209 541 K C -0.339 176.290 176.600 0.048 0.000 1.369 541 K CA -0.206 56.185 56.287 0.173 0.000 1.029 541 K CB 0.279 32.964 32.500 0.309 0.000 1.139 541 K HN 0.352 nan 8.250 nan 0.000 0.623 542 c N 3.948 122.447 118.600 -0.167 0.000 2.555 542 c HA 0.133 4.691 4.570 -0.022 0.000 0.385 542 c C 1.228 175.237 174.090 -0.134 0.000 1.296 542 c CA -0.468 55.565 56.329 -0.493 0.000 1.757 542 c CB -0.488 41.699 42.510 -0.539 0.000 2.445 542 c HN 0.437 nan 8.230 nan 0.000 0.571 543 D N 4.375 124.733 120.400 -0.071 0.000 2.049 543 D HA -0.029 4.598 4.640 -0.022 0.000 0.240 543 D C 1.669 177.994 176.300 0.042 0.000 0.979 543 D CA 0.909 54.928 54.000 0.032 0.000 0.915 543 D CB -0.231 40.610 40.800 0.068 0.000 1.050 543 D HN 0.635 nan 8.370 nan 0.000 0.444 544 I N -1.478 119.108 120.570 0.025 0.000 5.403 544 I HA -0.222 3.935 4.170 -0.022 0.000 0.290 544 I C -0.364 175.704 176.117 -0.081 0.000 1.809 544 I CA 0.258 61.560 61.300 0.003 0.000 1.585 544 I CB -1.405 36.617 38.000 0.037 0.000 3.343 544 I HN 0.161 nan 8.210 nan 0.000 0.255 545 S N 0.848 116.498 115.700 -0.084 0.000 2.580 545 S HA 0.415 4.872 4.470 -0.022 0.000 0.274 545 S C 1.066 175.564 174.600 -0.171 0.000 1.329 545 S CA 1.123 59.157 58.200 -0.277 0.000 1.036 545 S CB 0.909 64.055 63.200 -0.090 0.000 0.919 545 S HN 0.523 nan 8.310 nan 0.000 0.515 546 N N 0.386 118.950 118.700 -0.226 0.000 2.967 546 N HA -0.183 4.544 4.740 -0.022 0.000 0.218 546 N C -0.359 175.100 175.510 -0.085 0.000 0.870 546 N CA 1.031 54.009 53.050 -0.120 0.000 1.030 546 N CB -0.973 37.482 38.487 -0.055 0.000 1.027 546 N HN 0.467 nan 8.380 nan 0.000 0.603 547 S N 0.469 116.116 115.700 -0.089 0.000 2.405 547 S HA 0.267 4.724 4.470 -0.022 0.000 0.291 547 S C 1.404 175.978 174.600 -0.043 0.000 1.137 547 S CA 0.256 58.428 58.200 -0.047 0.000 1.061 547 S CB 0.685 63.869 63.200 -0.028 0.000 1.001 547 S HN 0.295 nan 8.310 nan 0.000 0.507 548 T N 2.231 116.770 114.554 -0.025 0.000 3.023 548 T HA 0.036 4.373 4.350 -0.022 0.000 0.266 548 T C 1.314 176.017 174.700 0.006 0.000 1.093 548 T CA 0.271 62.366 62.100 -0.008 0.000 1.129 548 T CB -0.183 68.680 68.868 -0.008 0.000 0.899 548 T HN 0.589 nan 8.240 nan 0.000 0.491 549 E N 2.216 122.418 120.200 0.004 0.000 2.097 549 E HA -0.072 4.265 4.350 -0.022 0.000 0.196 549 E C 2.405 179.019 176.600 0.024 0.000 1.000 549 E CA 1.582 57.990 56.400 0.014 0.000 0.804 549 E CB -0.805 28.904 29.700 0.015 0.000 0.740 549 E HN 0.728 nan 8.360 nan 0.000 0.454 550 A N 0.962 123.792 122.820 0.017 0.000 1.850 550 A HA 0.127 4.434 4.320 -0.022 0.000 0.212 550 A C 2.522 180.128 177.584 0.036 0.000 1.208 550 A CA 1.442 53.493 52.037 0.024 0.000 0.609 550 A CB -1.148 17.856 19.000 0.006 0.000 0.860 550 A HN 0.308 nan 8.150 nan 0.000 0.448 551 G N -0.389 108.424 108.800 0.021 0.000 2.529 551 G HA2 -0.378 3.569 3.960 -0.022 0.000 0.219 551 G HA3 -0.378 3.569 3.960 -0.022 0.000 0.219 551 G C 1.609 176.587 174.900 0.128 0.000 1.177 551 G CA 1.699 46.834 45.100 0.058 0.000 0.773 551 G HN 0.535 nan 8.290 nan 0.000 0.573 552 Q N 0.671 120.533 119.800 0.102 0.000 1.998 552 Q HA -0.164 4.163 4.340 -0.022 0.000 0.209 552 Q C 2.384 178.468 176.000 0.140 0.000 1.002 552 Q CA 2.498 58.364 55.803 0.107 0.000 0.858 552 Q CB -0.522 28.234 28.738 0.031 0.000 0.932 552 Q HN 0.561 nan 8.270 nan 0.000 0.416 553 K N -0.680 119.778 120.400 0.096 0.000 1.981 553 K HA -0.258 4.049 4.320 -0.022 0.000 0.228 553 K C 2.021 178.702 176.600 0.135 0.000 1.050 553 K CA 1.973 58.319 56.287 0.098 0.000 1.001 553 K CB -0.811 31.733 32.500 0.074 0.000 0.738 553 K HN 0.299 nan 8.250 nan 0.000 0.447 554 L N 0.766 122.058 121.223 0.115 0.000 2.123 554 L HA -0.235 4.092 4.340 -0.022 0.000 0.217 554 L C 2.163 179.099 176.870 0.110 0.000 1.081 554 L CA 1.841 56.735 54.840 0.089 0.000 0.772 554 L CB -0.698 41.377 42.059 0.026 0.000 0.890 554 L HN 0.383 nan 8.230 nan 0.000 0.437 555 F N 1.069 121.033 119.950 0.022 0.000 2.046 555 F HA -0.265 4.249 4.527 -0.022 0.000 0.297 555 F C 2.215 178.046 175.800 0.052 0.000 1.123 555 F CA 2.289 60.306 58.000 0.028 0.000 1.199 555 F CB -0.916 38.096 39.000 0.019 0.000 0.972 555 F HN 0.326 nan 8.300 nan 0.000 0.474 556 N N -0.480 118.473 118.700 0.422 0.000 2.588 556 N HA -0.217 4.510 4.740 -0.022 0.000 0.190 556 N C 1.530 177.174 175.510 0.224 0.000 1.094 556 N CA 1.056 54.271 53.050 0.274 0.000 0.921 556 N CB -0.195 38.383 38.487 0.151 0.000 0.959 556 N HN 0.391 nan 8.380 nan 0.000 0.448 557 M N -0.102 119.624 119.600 0.210 0.000 2.556 557 M HA 0.163 4.630 4.480 -0.022 0.000 0.259 557 M C 1.241 177.669 176.300 0.214 0.000 1.175 557 M CA 1.187 56.606 55.300 0.199 0.000 1.202 557 M CB -0.186 32.529 32.600 0.191 0.000 1.298 557 M HN -0.124 nan 8.290 nan 0.000 0.492 558 L N 1.241 122.548 121.223 0.140 0.000 2.012 558 L HA -0.145 4.182 4.340 -0.022 0.000 0.210 558 L C 2.502 179.574 176.870 0.336 0.000 1.073 558 L CA 2.189 57.175 54.840 0.244 0.000 0.748 558 L CB -1.419 40.630 42.059 -0.017 0.000 0.891 558 L HN 0.456 nan 8.230 nan 0.000 0.431 559 R N -0.217 120.409 120.500 0.209 0.000 2.139 559 R HA -0.150 4.177 4.340 -0.022 0.000 0.243 559 R C 1.635 178.055 176.300 0.200 0.000 1.145 559 R CA 1.170 57.408 56.100 0.229 0.000 0.976 559 R CB -1.471 29.020 30.300 0.318 0.000 0.866 559 R HN 0.179 nan 8.270 nan 0.000 0.449 560 L N 0.748 122.077 121.223 0.177 0.000 2.642 560 L HA 0.120 4.447 4.340 -0.022 0.000 0.236 560 L C 1.484 178.375 176.870 0.035 0.000 1.169 560 L CA 1.398 56.300 54.840 0.104 0.000 0.851 560 L CB -2.209 39.905 42.059 0.091 0.000 0.968 560 L HN 0.623 nan 8.230 nan 0.000 0.453 561 G N 0.959 109.779 108.800 0.034 0.000 2.614 561 G HA2 -0.415 3.532 3.960 -0.022 0.000 0.303 561 G HA3 -0.415 3.532 3.960 -0.022 0.000 0.303 561 G C 0.660 175.421 174.900 -0.232 0.000 1.270 561 G CA 0.620 45.576 45.100 -0.241 0.000 0.988 561 G HN 0.369 nan 8.290 nan 0.000 0.551 562 K N 0.725 120.954 120.400 -0.284 0.000 3.010 562 K HA 0.494 4.801 4.320 -0.022 0.000 0.211 562 K C 1.018 177.535 176.600 -0.139 0.000 1.146 562 K CA 0.671 56.833 56.287 -0.208 0.000 1.070 562 K CB -0.238 32.120 32.500 -0.237 0.000 0.908 562 K HN 0.674 nan 8.250 nan 0.000 0.463 563 S N -0.420 115.217 115.700 -0.104 0.000 2.506 563 S HA 0.290 4.747 4.470 -0.022 0.000 0.245 563 S C -0.412 174.155 174.600 -0.055 0.000 1.088 563 S CA -0.550 57.607 58.200 -0.071 0.000 1.099 563 S CB 0.137 63.306 63.200 -0.053 0.000 0.805 563 S HN 0.352 nan 8.310 nan 0.000 0.461 564 E N 1.125 121.288 120.200 -0.062 0.000 2.677 564 E HA 0.217 4.554 4.350 -0.022 0.000 0.330 564 E C -3.126 173.434 176.600 -0.066 0.000 0.933 564 E CA -1.324 55.043 56.400 -0.055 0.000 0.797 564 E CB 1.523 31.206 29.700 -0.028 0.000 1.326 564 E HN 0.142 nan 8.360 nan 0.000 0.404 565 P HA -0.137 nan 4.420 nan 0.000 0.261 565 P C 1.000 178.223 177.300 -0.128 0.000 1.165 565 P CA 0.284 63.312 63.100 -0.119 0.000 0.759 565 P CB 0.152 31.783 31.700 -0.114 0.000 0.772 566 W N 3.315 124.497 121.300 -0.196 0.000 2.331 566 W HA -0.226 4.421 4.660 -0.022 0.000 0.291 566 W C 1.309 177.756 176.519 -0.119 0.000 1.214 566 W CA 1.636 58.766 57.345 -0.359 0.000 1.228 566 W CB -2.220 26.911 29.460 -0.547 0.000 1.135 566 W HN 0.364 nan 8.180 nan 0.000 0.537 567 T N 1.028 115.246 114.554 -0.561 0.000 2.708 567 T HA -0.277 4.060 4.350 -0.022 0.000 0.266 567 T C 2.078 176.738 174.700 -0.066 0.000 1.037 567 T CA 2.058 63.869 62.100 -0.482 0.000 1.146 567 T CB -0.683 67.750 68.868 -0.725 0.000 0.865 567 T HN 0.285 nan 8.240 nan 0.000 0.435 568 L N 0.733 122.039 121.223 0.138 0.000 1.994 568 L HA 0.054 4.381 4.340 -0.022 0.000 0.208 568 L C 3.098 180.071 176.870 0.172 0.000 1.071 568 L CA 1.795 56.839 54.840 0.339 0.000 0.745 568 L CB -1.128 41.070 42.059 0.231 0.000 0.892 568 L HN 0.473 nan 8.230 nan 0.000 0.431 569 A N 0.155 123.051 122.820 0.127 0.000 1.903 569 A HA -0.305 4.002 4.320 -0.022 0.000 0.219 569 A C 2.271 180.004 177.584 0.248 0.000 1.191 569 A CA 2.244 54.383 52.037 0.170 0.000 0.638 569 A CB -1.080 17.995 19.000 0.126 0.000 0.823 569 A HN 0.565 nan 8.150 nan 0.000 0.451 570 L N -0.883 120.523 121.223 0.305 0.000 1.989 570 L HA -0.236 4.091 4.340 -0.022 0.000 0.211 570 L C 2.754 179.653 176.870 0.049 0.000 1.071 570 L CA 2.188 57.159 54.840 0.219 0.000 0.749 570 L CB -0.402 41.827 42.059 0.282 0.000 0.890 570 L HN 0.553 nan 8.230 nan 0.000 0.431 571 E N 0.011 120.248 120.200 0.062 0.000 2.097 571 E HA -0.293 4.044 4.350 -0.022 0.000 0.196 571 E C 1.727 178.351 176.600 0.039 0.000 1.000 571 E CA 1.933 58.350 56.400 0.028 0.000 0.804 571 E CB -0.097 29.624 29.700 0.034 0.000 0.740 571 E HN 0.531 nan 8.360 nan 0.000 0.454 572 N N -0.828 117.917 118.700 0.075 0.000 2.512 572 N HA -0.092 4.635 4.740 -0.022 0.000 0.183 572 N C 1.372 176.913 175.510 0.050 0.000 1.073 572 N CA 0.474 53.565 53.050 0.068 0.000 0.911 572 N CB 0.416 38.954 38.487 0.086 0.000 0.964 572 N HN -0.003 nan 8.380 nan 0.000 0.447 573 V N -1.044 118.886 119.914 0.026 0.000 2.599 573 V HA 0.140 4.247 4.120 -0.022 0.000 0.237 573 V C 0.457 176.501 176.094 -0.083 0.000 1.081 573 V CA 0.391 62.686 62.300 -0.008 0.000 1.107 573 V CB 0.154 31.977 31.823 -0.001 0.000 0.808 573 V HN 0.125 nan 8.190 nan 0.000 0.486 574 V N -1.257 118.552 119.914 -0.175 0.000 2.349 574 V HA 0.843 4.950 4.120 -0.022 0.000 0.284 574 V C 1.009 177.040 176.094 -0.105 0.000 1.014 574 V CA -0.058 62.137 62.300 -0.175 0.000 0.826 574 V CB 0.120 31.744 31.823 -0.332 0.000 1.009 574 V HN 0.490 nan 8.190 nan 0.000 0.431 575 G N 4.712 113.480 108.800 -0.053 0.000 3.575 575 G HA2 -0.346 3.601 3.960 -0.022 0.000 0.292 575 G HA3 -0.346 3.601 3.960 -0.022 0.000 0.292 575 G C 1.041 175.924 174.900 -0.028 0.000 1.114 575 G CA 1.872 46.955 45.100 -0.029 0.000 1.087 575 G HN 2.212 nan 8.290 nan 0.000 1.261 576 A N 0.157 122.961 122.820 -0.026 0.000 2.577 576 A HA 0.428 4.735 4.320 -0.022 0.000 0.233 576 A C 1.153 178.731 177.584 -0.011 0.000 1.076 576 A CA 1.735 53.765 52.037 -0.012 0.000 0.767 576 A CB 0.040 19.049 19.000 0.015 0.000 1.017 576 A HN 1.332 nan 8.150 nan 0.000 0.511 577 K N 0.035 120.423 120.400 -0.021 0.000 2.618 577 K HA 0.423 4.730 4.320 -0.022 0.000 0.207 577 K C -0.306 176.311 176.600 0.028 0.000 1.058 577 K CA -0.110 56.144 56.287 -0.055 0.000 1.086 577 K CB 0.156 32.514 32.500 -0.237 0.000 0.827 577 K HN 0.599 nan 8.250 nan 0.000 0.481 578 N N 0.240 119.039 118.700 0.165 0.000 3.185 578 N HA 0.146 4.874 4.740 -0.022 0.000 0.238 578 N C -1.677 174.028 175.510 0.324 0.000 1.451 578 N CA -0.740 52.513 53.050 0.337 0.000 0.888 578 N CB 1.147 39.776 38.487 0.237 0.000 1.413 578 N HN 0.239 nan 8.380 nan 0.000 0.511 579 M N 1.903 121.731 119.600 0.381 0.000 2.390 579 M HA 0.048 4.515 4.480 -0.022 0.000 0.353 579 M C -0.662 175.738 176.300 0.167 0.000 1.623 579 M CA 0.616 56.079 55.300 0.272 0.000 1.065 579 M CB -0.423 32.294 32.600 0.195 0.000 2.025 579 M HN 0.454 nan 8.290 nan 0.000 0.461 580 N N 3.608 122.394 118.700 0.142 0.000 2.407 580 N HA 0.254 4.981 4.740 -0.022 0.000 0.277 580 N C 0.147 175.710 175.510 0.088 0.000 0.995 580 N CA -0.680 52.430 53.050 0.100 0.000 0.903 580 N CB 1.719 40.252 38.487 0.077 0.000 1.218 580 N HN 0.609 nan 8.380 nan 0.000 0.487 581 V N 4.085 124.050 119.914 0.085 0.000 2.788 581 V HA -0.023 4.084 4.120 -0.022 0.000 0.251 581 V C 2.188 178.289 176.094 0.012 0.000 1.068 581 V CA 1.211 63.546 62.300 0.059 0.000 1.090 581 V CB -0.302 31.574 31.823 0.089 0.000 0.710 581 V HN 0.647 nan 8.190 nan 0.000 0.467 582 R N 1.156 121.666 120.500 0.017 0.000 2.103 582 R HA -0.102 4.225 4.340 -0.022 0.000 0.242 582 R C -0.189 176.084 176.300 -0.045 0.000 1.142 582 R CA 2.218 58.309 56.100 -0.016 0.000 0.960 582 R CB -1.704 28.598 30.300 0.004 0.000 0.858 582 R HN 0.512 nan 8.270 nan 0.000 0.439 583 P HA -0.178 nan 4.420 nan 0.000 0.220 583 P C 1.354 178.553 177.300 -0.169 0.000 1.148 583 P CA 1.126 64.209 63.100 -0.028 0.000 0.803 583 P CB 0.066 31.800 31.700 0.057 0.000 0.782 584 L N -0.622 120.459 121.223 -0.236 0.000 1.988 584 L HA -0.122 4.205 4.340 -0.022 0.000 0.207 584 L C 2.356 178.935 176.870 -0.485 0.000 1.071 584 L CA 1.309 55.755 54.840 -0.657 0.000 0.744 584 L CB -1.002 40.833 42.059 -0.374 0.000 0.893 584 L HN -0.189 nan 8.230 nan 0.000 0.433 585 L N 0.468 121.548 121.223 -0.238 0.000 2.197 585 L HA -0.283 4.044 4.340 -0.022 0.000 0.215 585 L C 2.111 178.886 176.870 -0.158 0.000 1.095 585 L CA 1.842 56.577 54.840 -0.175 0.000 0.764 585 L CB -1.418 40.553 42.059 -0.146 0.000 0.897 585 L HN 0.418 nan 8.230 nan 0.000 0.436 586 N N -2.547 116.051 118.700 -0.170 0.000 2.250 586 N HA -0.195 4.532 4.740 -0.022 0.000 0.181 586 N C 1.815 177.211 175.510 -0.191 0.000 1.017 586 N CA 0.553 53.521 53.050 -0.137 0.000 0.866 586 N CB -0.097 38.331 38.487 -0.098 0.000 0.985 586 N HN 0.267 nan 8.380 nan 0.000 0.429 587 Y N 0.687 120.699 120.300 -0.481 0.000 2.114 587 Y HA -0.122 4.415 4.550 -0.021 0.000 0.284 587 Y C 1.022 176.673 175.900 -0.414 0.000 1.143 587 Y CA 1.628 59.366 58.100 -0.603 0.000 1.135 587 Y CB -0.192 37.582 38.460 -1.144 0.000 0.980 587 Y HN 0.010 nan 8.280 nan 0.000 0.499 588 F N -0.303 119.620 119.950 -0.045 0.000 2.664 588 F HA 0.049 4.563 4.527 -0.022 0.000 0.301 588 F C 1.801 177.593 175.800 -0.013 0.000 1.126 588 F CA -0.467 57.513 58.000 -0.033 0.000 1.373 588 F CB 0.122 39.109 39.000 -0.022 0.000 1.042 588 F HN 0.039 nan 8.300 nan 0.000 0.535 589 E N 1.237 121.488 120.200 0.084 0.000 2.110 589 E HA -0.131 4.206 4.350 -0.022 0.000 0.193 589 E C -0.519 176.191 176.600 0.182 0.000 0.988 589 E CA 1.157 57.629 56.400 0.120 0.000 0.804 589 E CB -1.328 28.393 29.700 0.036 0.000 0.745 589 E HN 0.314 nan 8.360 nan 0.000 0.458 590 P HA -0.127 nan 4.420 nan 0.000 0.215 590 P C 1.749 179.160 177.300 0.184 0.000 1.157 590 P CA 0.812 63.998 63.100 0.144 0.000 0.863 590 P CB -0.079 31.710 31.700 0.149 0.000 0.787 591 L N -1.880 119.443 121.223 0.167 0.000 2.131 591 L HA -0.104 4.223 4.340 -0.022 0.000 0.210 591 L C 2.174 179.208 176.870 0.273 0.000 1.092 591 L CA 1.633 56.546 54.840 0.121 0.000 0.759 591 L CB -1.189 40.890 42.059 0.033 0.000 0.903 591 L HN -0.170 nan 8.230 nan 0.000 0.435 592 F N 0.707 120.729 119.950 0.120 0.000 2.031 592 F HA -0.218 4.296 4.527 -0.021 0.000 0.295 592 F C 2.696 178.587 175.800 0.151 0.000 1.133 592 F CA 2.273 60.335 58.000 0.103 0.000 1.188 592 F CB -1.121 37.912 39.000 0.054 0.000 0.974 592 F HN 0.300 nan 8.300 nan 0.000 0.473 593 T N -2.369 112.273 114.554 0.147 0.000 2.822 593 T HA -0.341 3.996 4.350 -0.022 0.000 0.270 593 T C 1.795 176.555 174.700 0.100 0.000 1.064 593 T CA 1.563 63.680 62.100 0.028 0.000 1.131 593 T CB -1.455 67.484 68.868 0.118 0.000 0.858 593 T HN 0.667 nan 8.240 nan 0.000 0.483 594 W N 0.833 122.131 121.300 -0.003 0.000 2.443 594 W HA 0.273 4.920 4.660 -0.022 0.000 0.296 594 W C 1.671 178.185 176.519 -0.008 0.000 1.202 594 W CA -0.157 57.200 57.345 0.021 0.000 1.312 594 W CB -0.255 29.243 29.460 0.063 0.000 1.120 594 W HN 0.107 nan 8.180 nan 0.000 0.536 595 L N 1.632 123.076 121.223 0.368 0.000 2.131 595 L HA -0.231 4.096 4.340 -0.022 0.000 0.210 595 L C 2.457 179.339 176.870 0.021 0.000 1.092 595 L CA 1.641 56.592 54.840 0.185 0.000 0.759 595 L CB -0.940 41.251 42.059 0.220 0.000 0.903 595 L HN -0.131 nan 8.230 nan 0.000 0.435 596 K N -0.381 120.006 120.400 -0.021 0.000 1.991 596 K HA -0.175 4.132 4.320 -0.022 0.000 0.212 596 K C 1.731 178.261 176.600 -0.118 0.000 1.049 596 K CA 1.524 57.785 56.287 -0.044 0.000 0.932 596 K CB -0.699 31.714 32.500 -0.146 0.000 0.717 596 K HN 0.385 nan 8.250 nan 0.000 0.441 597 D N 0.949 121.253 120.400 -0.159 0.000 2.127 597 D HA -0.157 4.470 4.640 -0.022 0.000 0.206 597 D C 1.974 178.104 176.300 -0.284 0.000 0.989 597 D CA 1.063 54.934 54.000 -0.215 0.000 0.877 597 D CB -0.019 40.623 40.800 -0.262 0.000 1.042 597 D HN 0.113 nan 8.370 nan 0.000 0.455 598 Q N 0.630 120.131 119.800 -0.499 0.000 2.188 598 Q HA -0.223 4.104 4.340 -0.022 0.000 0.217 598 Q C 1.739 177.609 176.000 -0.217 0.000 1.018 598 Q CA 1.244 56.779 55.803 -0.446 0.000 0.910 598 Q CB -0.870 27.463 28.738 -0.676 0.000 0.979 598 Q HN 0.439 nan 8.270 nan 0.000 0.413 599 N N 0.734 119.333 118.700 -0.168 0.000 2.459 599 N HA -0.101 4.626 4.740 -0.022 0.000 0.181 599 N C 1.631 177.048 175.510 -0.154 0.000 1.046 599 N CA 0.891 53.853 53.050 -0.147 0.000 0.904 599 N CB 0.000 38.350 38.487 -0.229 0.000 0.964 599 N HN 0.457 nan 8.380 nan 0.000 0.444 600 K N 1.485 121.797 120.400 -0.147 0.000 2.117 600 K HA -0.281 4.026 4.320 -0.022 0.000 0.215 600 K C 1.365 177.916 176.600 -0.082 0.000 1.053 600 K CA 2.312 58.533 56.287 -0.109 0.000 0.935 600 K CB -0.645 31.797 32.500 -0.097 0.000 0.719 600 K HN 0.302 nan 8.250 nan 0.000 0.460 601 N N 0.657 119.308 118.700 -0.082 0.000 2.251 601 N HA -0.065 4.662 4.740 -0.022 0.000 0.181 601 N C 0.871 176.355 175.510 -0.043 0.000 1.019 601 N CA 0.575 53.589 53.050 -0.061 0.000 0.862 601 N CB -0.185 38.261 38.487 -0.068 0.000 0.992 601 N HN 0.159 nan 8.380 nan 0.000 0.429 602 S N -0.760 114.908 115.700 -0.055 0.000 2.584 602 S HA 0.154 4.611 4.470 -0.022 0.000 0.270 602 S C -0.576 174.050 174.600 0.043 0.000 1.346 602 S CA -0.862 57.326 58.200 -0.021 0.000 1.018 602 S CB -0.110 63.056 63.200 -0.056 0.000 0.899 602 S HN 0.313 nan 8.310 nan 0.000 0.542 603 F N 4.040 123.935 119.950 -0.091 0.000 2.420 603 F HA 0.499 5.013 4.527 -0.022 0.000 0.352 603 F C -0.400 175.357 175.800 -0.072 0.000 1.108 603 F CA -0.811 57.140 58.000 -0.081 0.000 1.162 603 F CB 0.666 39.631 39.000 -0.058 0.000 1.118 603 F HN 0.202 nan 8.300 nan 0.000 0.510 604 V N 6.973 126.540 119.914 -0.578 0.000 2.334 604 V HA 0.733 4.840 4.120 -0.022 0.000 0.267 604 V C 0.316 175.760 176.094 -1.084 0.000 1.040 604 V CA 0.454 62.367 62.300 -0.645 0.000 0.866 604 V CB 0.073 31.621 31.823 -0.458 0.000 1.019 604 V HN 1.129 nan 8.190 nan 0.000 0.468 605 G N 4.708 112.942 108.800 -0.944 0.000 2.361 605 G HA2 0.257 4.204 3.960 -0.022 0.000 0.331 605 G HA3 0.257 4.204 3.960 -0.022 0.000 0.331 605 G C -1.684 172.938 174.900 -0.463 0.000 1.324 605 G CA -0.286 44.244 45.100 -0.950 0.000 0.984 605 G HN 1.279 nan 8.290 nan 0.000 0.586 606 W N -1.081 120.155 121.300 -0.107 0.000 3.074 606 W HA 0.810 5.457 4.660 -0.022 0.000 0.332 606 W C -0.267 176.340 176.519 0.145 0.000 1.253 606 W CA -1.025 56.369 57.345 0.083 0.000 1.180 606 W CB 1.234 30.708 29.460 0.022 0.000 1.445 606 W HN 1.221 nan 8.180 nan 0.000 0.573 607 S N 0.362 116.344 115.700 0.469 0.000 2.475 607 S HA 0.287 4.744 4.470 -0.022 0.000 0.281 607 S C 0.507 175.347 174.600 0.400 0.000 1.198 607 S CA 0.170 58.587 58.200 0.362 0.000 1.063 607 S CB 1.049 64.427 63.200 0.296 0.000 0.972 607 S HN 0.707 nan 8.310 nan 0.000 0.486 608 T N 2.797 117.551 114.554 0.333 0.000 3.272 608 T HA 0.235 4.572 4.350 -0.022 0.000 0.250 608 T C -0.018 174.816 174.700 0.223 0.000 1.082 608 T CA 0.434 62.710 62.100 0.294 0.000 0.968 608 T CB -0.438 68.582 68.868 0.254 0.000 1.015 608 T HN 0.707 nan 8.240 nan 0.000 0.563 609 D N -1.237 119.298 120.400 0.225 0.000 2.510 609 D HA 0.217 4.844 4.640 -0.022 0.000 0.234 609 D C 0.261 176.653 176.300 0.154 0.000 1.178 609 D CA -0.516 53.580 54.000 0.159 0.000 0.816 609 D CB 0.378 41.253 40.800 0.126 0.000 1.143 609 D HN 0.383 nan 8.370 nan 0.000 0.526 610 W N 1.896 123.218 121.300 0.038 0.000 1.478 610 W HA 0.318 4.964 4.660 -0.022 0.000 0.329 610 W C 0.317 176.778 176.519 -0.098 0.000 1.604 610 W CA 0.990 58.330 57.345 -0.008 0.000 1.891 610 W CB 0.080 29.558 29.460 0.029 0.000 1.547 610 W HN -0.159 nan 8.180 nan 0.000 0.869 611 S N -0.458 114.618 115.700 -1.041 0.000 2.915 611 S HA 0.053 4.510 4.470 -0.022 0.000 0.274 611 S C -2.326 171.003 174.600 -2.118 0.000 0.746 611 S CA -0.329 57.103 58.200 -1.280 0.000 0.796 611 S CB 0.335 62.914 63.200 -1.037 0.000 1.004 611 S HN 0.314 nan 8.310 nan 0.000 0.549 612 P HA 0.198 nan 4.420 nan 0.000 0.257 612 P C 0.708 177.820 177.300 -0.312 0.000 1.241 612 P CA 0.365 63.031 63.100 -0.723 0.000 0.816 612 P CB -0.217 31.489 31.700 0.010 0.000 1.150 613 Y N -2.421 117.683 120.300 -0.328 0.000 2.589 613 Y HA 0.630 5.167 4.550 -0.022 0.000 0.271 613 Y C 2.184 177.962 175.900 -0.203 0.000 1.107 613 Y CA 0.201 58.177 58.100 -0.207 0.000 1.273 613 Y CB -1.319 37.029 38.460 -0.187 0.000 1.266 613 Y HN -0.198 nan 8.280 nan 0.000 0.504 614 A N 0.777 123.286 122.820 -0.518 0.000 2.272 614 A HA -0.104 4.203 4.320 -0.022 0.000 0.213 614 A C 0.642 178.106 177.584 -0.201 0.000 1.183 614 A CA 1.221 53.100 52.037 -0.264 0.000 0.719 614 A CB -1.255 17.502 19.000 -0.405 0.000 0.771 614 A HN 0.625 nan 8.150 nan 0.000 0.484 615 D N 0.000 120.261 120.400 -0.231 0.000 6.856 615 D HA 0.000 4.627 4.640 -0.022 0.000 0.175 615 D CA 0.000 53.904 54.000 -0.160 0.000 0.868 615 D CB 0.000 40.695 40.800 -0.175 0.000 0.688 615 D HN 0.000 nan 8.370 nan 0.000 0.683