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 3dsu_1_A DATA FIRST_RESID 17 DATA SEQUENCE KRLEREQKLK LYQSATQAVF QKRQAGELDE SVLELTSQIL GANPDFATLW DATA SEQUENCE NCRREVLQHL ETEKSPEESA ALVKAELGFL ESCLRVNPKS YGTWHHRCWL DATA SEQUENCE LSRLPEPNWA RELELCARFL EADERNFHCW DYRRFVAAQA AVAPAEELAF DATA SEQUENCE TDSLITRNFS NYSSWHYRSC LLPQLHPXXX XXXXXRLPEN VLLKELELVQ DATA SEQUENCE NAFFTDPNDQ SAWFYHRWLL GAGSGRCELS VEKSTVLQSE LESCKELQEL DATA SEQUENCE EPENKWCLLT IILLMRALDP LLYEKETLQY FSTLKAVDPM RAAYLDDLRS DATA SEQUENCE KFLLENSVLK MEYA 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.593 176.600 -0.012 0.000 0.988 17 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 17 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 18 R N 1.211 121.705 120.500 -0.011 0.000 2.148 18 R HA 0.543 4.726 4.340 -0.262 0.000 0.227 18 R C 2.890 179.183 176.300 -0.012 0.000 1.103 18 R CA 2.501 58.594 56.100 -0.013 0.000 0.983 18 R CB -1.722 28.572 30.300 -0.011 0.000 0.874 18 R HN 1.400 nan 8.270 nan 0.000 0.451 19 L N -0.324 120.893 121.223 -0.010 0.000 2.034 19 L HA 0.287 4.470 4.340 -0.262 0.000 0.203 19 L C 2.786 179.650 176.870 -0.009 0.000 1.074 19 L CA 2.354 57.189 54.840 -0.008 0.000 0.748 19 L CB -1.831 40.224 42.059 -0.006 0.000 0.905 19 L HN 0.635 nan 8.230 nan 0.000 0.439 20 E N 0.930 121.125 120.200 -0.009 0.000 2.209 20 E HA -0.278 3.915 4.350 -0.262 0.000 0.196 20 E C 2.268 178.862 176.600 -0.011 0.000 0.993 20 E CA 1.587 57.982 56.400 -0.008 0.000 0.819 20 E CB -0.822 28.874 29.700 -0.007 0.000 0.745 20 E HN 0.906 nan 8.360 nan 0.000 0.477 21 R N -0.952 119.538 120.500 -0.017 0.000 2.246 21 R HA 0.191 4.374 4.340 -0.262 0.000 0.199 21 R C 2.325 178.609 176.300 -0.026 0.000 0.984 21 R CA 1.417 57.502 56.100 -0.026 0.000 1.015 21 R CB -0.232 30.048 30.300 -0.033 0.000 0.930 21 R HN 0.390 nan 8.270 nan 0.000 0.475 22 E N 1.369 121.558 120.200 -0.018 0.000 2.204 22 E HA -0.182 4.011 4.350 -0.262 0.000 0.194 22 E C 1.818 178.414 176.600 -0.006 0.000 0.989 22 E CA 1.347 57.739 56.400 -0.014 0.000 0.824 22 E CB -0.368 29.326 29.700 -0.010 0.000 0.756 22 E HN 0.542 nan 8.360 nan 0.000 0.477 23 Q N -0.070 119.727 119.800 -0.005 0.000 2.033 23 Q HA -0.006 4.177 4.340 -0.262 0.000 0.196 23 Q C 2.316 178.321 176.000 0.008 0.000 0.970 23 Q CA 1.410 57.214 55.803 0.001 0.000 0.828 23 Q CB 0.180 28.918 28.738 -0.000 0.000 0.895 23 Q HN 0.352 nan 8.270 nan 0.000 0.440 24 K N 0.342 120.743 120.400 0.003 0.000 2.074 24 K HA -0.180 3.983 4.320 -0.262 0.000 0.209 24 K C 2.025 178.641 176.600 0.027 0.000 1.048 24 K CA 0.991 57.285 56.287 0.011 0.000 0.926 24 K CB -0.609 31.886 32.500 -0.008 0.000 0.713 24 K HN 0.305 nan 8.250 nan 0.000 0.444 25 L N 1.318 122.538 121.223 -0.004 0.000 2.012 25 L HA -0.223 3.960 4.340 -0.262 0.000 0.210 25 L C 2.205 179.120 176.870 0.075 0.000 1.073 25 L CA 1.685 56.521 54.840 -0.006 0.000 0.748 25 L CB -0.181 41.856 42.059 -0.037 0.000 0.891 25 L HN 0.209 nan 8.230 nan 0.000 0.431 26 K N -0.520 119.908 120.400 0.047 0.000 2.288 26 K HA -0.100 4.063 4.320 -0.262 0.000 0.201 26 K C 1.998 178.628 176.600 0.050 0.000 1.048 26 K CA 0.710 57.026 56.287 0.047 0.000 0.956 26 K CB 0.061 32.575 32.500 0.023 0.000 0.746 26 K HN 0.349 nan 8.250 nan 0.000 0.461 27 L N -0.278 120.978 121.223 0.055 0.000 2.005 27 L HA -0.186 3.997 4.340 -0.262 0.000 0.207 27 L C 2.512 179.421 176.870 0.066 0.000 1.072 27 L CA 1.419 56.285 54.840 0.043 0.000 0.744 27 L CB -0.719 41.361 42.059 0.036 0.000 0.895 27 L HN 0.185 nan 8.230 nan 0.000 0.433 28 Y N 0.959 121.238 120.300 -0.034 0.000 2.165 28 Y HA -0.321 4.072 4.550 -0.262 0.000 0.286 28 Y C 2.728 178.603 175.900 -0.043 0.000 1.155 28 Y CA 1.723 59.802 58.100 -0.035 0.000 1.164 28 Y CB -0.150 38.300 38.460 -0.016 0.000 0.978 28 Y HN 0.182 nan 8.280 nan 0.000 0.513 29 Q N -0.137 119.791 119.800 0.214 0.000 2.084 29 Q HA -0.184 3.999 4.340 -0.262 0.000 0.202 29 Q C 2.578 178.549 176.000 -0.048 0.000 0.978 29 Q CA 2.198 58.054 55.803 0.089 0.000 0.844 29 Q CB -0.214 28.599 28.738 0.125 0.000 0.898 29 Q HN 0.649 nan 8.270 nan 0.000 0.426 30 S N -0.039 115.640 115.700 -0.035 0.000 2.414 30 S HA 0.014 4.327 4.470 -0.262 0.000 0.227 30 S C 2.108 176.640 174.600 -0.113 0.000 1.022 30 S CA 0.636 58.801 58.200 -0.060 0.000 0.958 30 S CB -0.126 63.054 63.200 -0.033 0.000 0.797 30 S HN 0.350 nan 8.310 nan 0.000 0.493 31 A N 1.893 124.628 122.820 -0.142 0.000 1.873 31 A HA 0.002 4.165 4.320 -0.262 0.000 0.215 31 A C 2.416 179.812 177.584 -0.313 0.000 1.186 31 A CA 2.035 53.953 52.037 -0.199 0.000 0.616 31 A CB -1.716 17.171 19.000 -0.188 0.000 0.823 31 A HN 0.538 nan 8.150 nan 0.000 0.442 32 T N -0.009 114.292 114.554 -0.422 0.000 2.652 32 T HA -0.227 3.966 4.350 -0.262 0.000 0.267 32 T C 2.089 176.466 174.700 -0.538 0.000 1.039 32 T CA 1.825 63.563 62.100 -0.603 0.000 1.153 32 T CB -0.337 68.155 68.868 -0.626 0.000 0.863 32 T HN 0.585 nan 8.240 nan 0.000 0.428 33 Q N 0.310 119.939 119.800 -0.285 0.000 2.062 33 Q HA -0.179 4.004 4.340 -0.262 0.000 0.209 33 Q C 2.697 178.634 176.000 -0.106 0.000 0.996 33 Q CA 1.727 57.452 55.803 -0.129 0.000 0.859 33 Q CB -0.371 28.332 28.738 -0.059 0.000 0.920 33 Q HN 0.582 nan 8.270 nan 0.000 0.415 34 A N -0.009 122.731 122.820 -0.134 0.000 1.902 34 A HA -0.146 4.017 4.320 -0.262 0.000 0.217 34 A C 2.292 179.812 177.584 -0.107 0.000 1.181 34 A CA 1.442 53.418 52.037 -0.102 0.000 0.623 34 A CB -0.657 18.279 19.000 -0.106 0.000 0.818 34 A HN 0.240 nan 8.150 nan 0.000 0.443 35 V N -0.889 118.909 119.914 -0.193 0.000 2.295 35 V HA -0.220 3.743 4.120 -0.262 0.000 0.246 35 V C 2.345 178.447 176.094 0.014 0.000 1.049 35 V CA 1.919 64.117 62.300 -0.171 0.000 1.024 35 V CB -0.967 30.657 31.823 -0.332 0.000 0.648 35 V HN 0.539 nan 8.190 nan 0.000 0.447 36 F N 0.202 120.088 119.950 -0.107 0.000 2.171 36 F HA -0.130 4.240 4.527 -0.262 0.000 0.300 36 F C 2.562 178.325 175.800 -0.062 0.000 1.090 36 F CA 1.228 59.182 58.000 -0.076 0.000 1.293 36 F CB -1.123 37.848 39.000 -0.048 0.000 1.013 36 F HN 0.203 nan 8.300 nan 0.000 0.486 37 Q N 1.372 121.245 119.800 0.122 0.000 2.020 37 Q HA -0.218 3.965 4.340 -0.262 0.000 0.202 37 Q C 2.088 178.099 176.000 0.018 0.000 0.982 37 Q CA 1.714 57.546 55.803 0.048 0.000 0.838 37 Q CB -0.267 28.481 28.738 0.018 0.000 0.899 37 Q HN 0.344 nan 8.270 nan 0.000 0.423 38 K N 0.039 120.440 120.400 0.001 0.000 2.063 38 K HA -0.168 3.995 4.320 -0.262 0.000 0.208 38 K C 2.395 178.981 176.600 -0.023 0.000 1.048 38 K CA 1.407 57.680 56.287 -0.022 0.000 0.928 38 K CB -0.209 32.266 32.500 -0.043 0.000 0.713 38 K HN 0.136 nan 8.250 nan 0.000 0.442 39 R N 0.879 121.379 120.500 0.001 0.000 2.066 39 R HA -0.201 3.982 4.340 -0.262 0.000 0.232 39 R C 2.719 179.002 176.300 -0.027 0.000 1.131 39 R CA 1.969 58.062 56.100 -0.012 0.000 0.955 39 R CB -0.306 30.007 30.300 0.022 0.000 0.851 39 R HN 0.271 nan 8.270 nan 0.000 0.432 40 Q N -0.113 119.677 119.800 -0.018 0.000 2.234 40 Q HA -0.052 4.131 4.340 -0.262 0.000 0.206 40 Q C 1.815 177.798 176.000 -0.027 0.000 0.980 40 Q CA 1.716 57.502 55.803 -0.028 0.000 0.869 40 Q CB -0.578 28.147 28.738 -0.021 0.000 0.912 40 Q HN 0.621 nan 8.270 nan 0.000 0.436 41 A N -0.986 121.819 122.820 -0.025 0.000 2.218 41 A HA 0.472 4.635 4.320 -0.262 0.000 0.209 41 A C 2.050 179.609 177.584 -0.041 0.000 1.168 41 A CA 1.108 53.128 52.037 -0.028 0.000 0.804 41 A CB -0.456 18.529 19.000 -0.024 0.000 0.834 41 A HN 1.759 nan 8.150 nan 0.000 0.482 42 G N -0.109 108.659 108.800 -0.055 0.000 2.176 42 G HA2 -0.250 3.553 3.960 -0.262 0.000 0.252 42 G HA3 -0.250 3.553 3.960 -0.262 0.000 0.252 42 G C -0.206 174.623 174.900 -0.118 0.000 1.024 42 G CA 0.343 45.393 45.100 -0.084 0.000 0.755 42 G HN 0.668 nan 8.290 nan 0.000 0.507 43 E N 0.093 120.236 120.200 -0.094 0.000 1.856 43 E HA 0.373 4.566 4.350 -0.262 0.000 0.263 43 E C 0.515 177.045 176.600 -0.117 0.000 1.137 43 E CA -0.328 56.015 56.400 -0.095 0.000 1.007 43 E CB 0.309 29.974 29.700 -0.059 0.000 1.117 43 E HN 0.412 nan 8.360 nan 0.000 0.438 44 L N 4.413 125.515 121.223 -0.202 0.000 2.449 44 L HA 0.189 4.372 4.340 -0.262 0.000 0.255 44 L C -0.263 176.573 176.870 -0.056 0.000 1.167 44 L CA -0.350 54.380 54.840 -0.182 0.000 1.090 44 L CB -0.616 41.228 42.059 -0.357 0.000 1.385 44 L HN 0.440 nan 8.230 nan 0.000 0.411 45 D N -1.849 118.534 120.400 -0.027 0.000 2.732 45 D HA 0.210 4.693 4.640 -0.262 0.000 0.292 45 D C 0.484 176.775 176.300 -0.015 0.000 1.135 45 D CA -0.776 53.231 54.000 0.011 0.000 1.071 45 D CB 0.776 41.579 40.800 0.005 0.000 1.457 45 D HN -0.052 nan 8.370 nan 0.000 0.547 46 E N -0.487 119.705 120.200 -0.014 0.000 2.333 46 E HA -0.113 4.080 4.350 -0.262 0.000 0.198 46 E C 1.604 178.165 176.600 -0.065 0.000 1.007 46 E CA 0.899 57.276 56.400 -0.040 0.000 0.845 46 E CB -0.159 29.523 29.700 -0.031 0.000 0.766 46 E HN 0.368 nan 8.360 nan 0.000 0.507 47 S N -0.188 115.477 115.700 -0.058 0.000 2.393 47 S HA -0.253 4.060 4.470 -0.262 0.000 0.234 47 S C 1.958 176.497 174.600 -0.102 0.000 1.064 47 S CA 1.743 59.899 58.200 -0.072 0.000 1.088 47 S CB -0.257 62.906 63.200 -0.062 0.000 0.939 47 S HN 0.348 nan 8.310 nan 0.000 0.448 48 V N -0.256 119.593 119.914 -0.109 0.000 3.085 48 V HA 0.191 4.154 4.120 -0.262 0.000 0.245 48 V C 1.889 177.878 176.094 -0.176 0.000 1.114 48 V CA 0.675 62.895 62.300 -0.133 0.000 1.108 48 V CB -0.280 31.475 31.823 -0.113 0.000 0.798 48 V HN 0.386 nan 8.190 nan 0.000 0.471 49 L N 0.837 121.963 121.223 -0.161 0.000 2.042 49 L HA -0.083 4.100 4.340 -0.262 0.000 0.210 49 L C 2.667 179.379 176.870 -0.264 0.000 1.076 49 L CA 2.258 56.967 54.840 -0.218 0.000 0.749 49 L CB -1.274 40.686 42.059 -0.165 0.000 0.893 49 L HN 0.443 nan 8.230 nan 0.000 0.432 50 E N -0.464 119.619 120.200 -0.194 0.000 2.051 50 E HA -0.192 4.001 4.350 -0.262 0.000 0.192 50 E C 2.220 178.707 176.600 -0.189 0.000 0.991 50 E CA 1.035 57.328 56.400 -0.178 0.000 0.799 50 E CB -0.106 29.521 29.700 -0.122 0.000 0.748 50 E HN 0.192 nan 8.360 nan 0.000 0.449 51 L N 0.876 121.988 121.223 -0.185 0.000 2.012 51 L HA -0.178 4.005 4.340 -0.262 0.000 0.210 51 L C 2.771 179.492 176.870 -0.250 0.000 1.073 51 L CA 2.433 57.154 54.840 -0.198 0.000 0.748 51 L CB -1.801 40.138 42.059 -0.199 0.000 0.891 51 L HN 0.312 nan 8.230 nan 0.000 0.431 52 T N -3.839 110.533 114.554 -0.303 0.000 2.951 52 T HA -0.126 4.067 4.350 -0.262 0.000 0.268 52 T C 2.082 176.581 174.700 -0.335 0.000 1.073 52 T CA 1.119 62.996 62.100 -0.371 0.000 1.134 52 T CB -0.597 68.015 68.868 -0.428 0.000 0.884 52 T HN 0.399 nan 8.240 nan 0.000 0.479 53 S N 2.055 117.535 115.700 -0.367 0.000 2.383 53 S HA -0.239 4.074 4.470 -0.262 0.000 0.229 53 S C 2.170 176.739 174.600 -0.052 0.000 1.030 53 S CA 1.123 59.129 58.200 -0.324 0.000 1.002 53 S CB -0.763 62.155 63.200 -0.470 0.000 0.829 53 S HN 0.659 nan 8.310 nan 0.000 0.467 54 Q N 0.185 119.923 119.800 -0.102 0.000 2.369 54 Q HA 0.197 4.380 4.340 -0.262 0.000 0.206 54 Q C 1.854 177.839 176.000 -0.025 0.000 0.963 54 Q CA 1.206 56.981 55.803 -0.047 0.000 0.894 54 Q CB -0.224 28.473 28.738 -0.069 0.000 0.965 54 Q HN 0.682 nan 8.270 nan 0.000 0.475 55 I N -0.949 119.575 120.570 -0.077 0.000 3.039 55 I HA -0.118 3.895 4.170 -0.262 0.000 0.270 55 I C 1.671 177.784 176.117 -0.008 0.000 1.150 55 I CA 0.326 61.605 61.300 -0.034 0.000 1.448 55 I CB 0.168 38.046 38.000 -0.204 0.000 1.197 55 I HN 0.081 nan 8.210 nan 0.000 0.450 56 L N 0.827 121.981 121.223 -0.115 0.000 2.275 56 L HA -0.042 4.141 4.340 -0.262 0.000 0.215 56 L C 2.565 179.413 176.870 -0.037 0.000 1.119 56 L CA 1.152 55.888 54.840 -0.173 0.000 0.790 56 L CB -0.856 40.896 42.059 -0.512 0.000 0.919 56 L HN 0.329 nan 8.230 nan 0.000 0.443 57 G N -0.092 108.726 108.800 0.030 0.000 2.446 57 G HA2 -0.284 3.519 3.960 -0.262 0.000 0.217 57 G HA3 -0.284 3.519 3.960 -0.262 0.000 0.217 57 G C 1.612 176.524 174.900 0.019 0.000 1.168 57 G CA 0.882 45.993 45.100 0.019 0.000 0.771 57 G HN 0.480 nan 8.290 nan 0.000 0.551 58 A N -0.463 122.382 122.820 0.042 0.000 2.147 58 A HA 0.249 4.412 4.320 -0.262 0.000 0.211 58 A C 1.100 178.719 177.584 0.059 0.000 1.160 58 A CA 0.250 52.312 52.037 0.042 0.000 0.781 58 A CB 0.245 19.270 19.000 0.042 0.000 0.842 58 A HN 0.310 nan 8.150 nan 0.000 0.475 59 N N 0.148 118.904 118.700 0.094 0.000 2.703 59 N HA 0.151 4.734 4.740 -0.262 0.000 0.283 59 N C -2.536 173.067 175.510 0.155 0.000 1.851 59 N CA -0.782 52.353 53.050 0.142 0.000 0.826 59 N CB 1.198 39.841 38.487 0.259 0.000 1.239 59 N HN 0.225 nan 8.380 nan 0.000 0.495 60 P HA -0.023 nan 4.420 nan 0.000 0.230 60 P C 0.249 177.789 177.300 0.400 0.000 1.158 60 P CA 0.912 64.173 63.100 0.268 0.000 0.769 60 P CB 0.487 32.335 31.700 0.246 0.000 0.807 61 D N -0.820 119.747 120.400 0.278 0.000 2.349 61 D HA -0.004 4.479 4.640 -0.262 0.000 0.224 61 D C 0.388 176.878 176.300 0.317 0.000 1.029 61 D CA -0.022 54.147 54.000 0.283 0.000 0.879 61 D CB -0.678 40.236 40.800 0.190 0.000 0.906 61 D HN 0.284 nan 8.370 nan 0.000 0.528 62 F N 1.480 121.503 119.950 0.122 0.000 2.679 62 F HA 0.176 4.546 4.527 -0.262 0.000 0.351 62 F C 1.606 177.452 175.800 0.077 0.000 1.279 62 F CA -0.936 57.106 58.000 0.070 0.000 1.227 62 F CB 0.452 39.451 39.000 -0.002 0.000 1.623 62 F HN -0.081 nan 8.300 nan 0.000 0.666 63 A N 2.477 125.585 122.820 0.480 0.000 1.908 63 A HA -0.211 3.952 4.320 -0.262 0.000 0.218 63 A C 2.172 179.916 177.584 0.265 0.000 1.181 63 A CA 2.370 54.640 52.037 0.389 0.000 0.627 63 A CB -0.873 18.296 19.000 0.281 0.000 0.818 63 A HN 0.624 nan 8.150 nan 0.000 0.445 64 T N 0.488 115.206 114.554 0.274 0.000 2.803 64 T HA -0.084 4.109 4.350 -0.262 0.000 0.269 64 T C 1.704 176.359 174.700 -0.075 0.000 1.052 64 T CA 1.416 63.597 62.100 0.136 0.000 1.136 64 T CB -0.364 68.666 68.868 0.270 0.000 0.864 64 T HN 0.413 nan 8.240 nan 0.000 0.467 65 L N -1.210 119.797 121.223 -0.361 0.000 2.109 65 L HA -0.024 4.159 4.340 -0.262 0.000 0.207 65 L C 2.368 179.004 176.870 -0.390 0.000 1.086 65 L CA 1.211 55.734 54.840 -0.528 0.000 0.760 65 L CB -0.566 40.960 42.059 -0.887 0.000 0.910 65 L HN 0.386 nan 8.230 nan 0.000 0.437 66 W N 0.722 121.895 121.300 -0.212 0.000 2.363 66 W HA -0.171 4.332 4.660 -0.261 0.000 0.296 66 W C 2.517 178.868 176.519 -0.279 0.000 1.212 66 W CA 0.444 57.611 57.345 -0.296 0.000 1.260 66 W CB -0.411 28.914 29.460 -0.226 0.000 1.131 66 W HN 0.202 nan 8.180 nan 0.000 0.530 67 N N -0.039 118.687 118.700 0.044 0.000 2.069 67 N HA -0.170 4.413 4.740 -0.262 0.000 0.191 67 N C 1.524 176.992 175.510 -0.071 0.000 1.031 67 N CA 1.860 54.892 53.050 -0.030 0.000 0.852 67 N CB -1.260 37.231 38.487 0.006 0.000 1.018 67 N HN 0.133 nan 8.380 nan 0.000 0.423 68 C N 1.042 120.293 119.300 -0.082 0.000 2.413 68 C HA -0.042 4.261 4.460 -0.262 0.000 0.276 68 C C 2.651 177.586 174.990 -0.092 0.000 1.248 68 C CA 0.357 59.322 59.018 -0.089 0.000 1.742 68 C CB -0.934 26.733 27.740 -0.122 0.000 2.017 68 C HN 0.468 nan 8.230 nan 0.000 0.481 69 R N 0.389 120.816 120.500 -0.120 0.000 2.081 69 R HA -0.095 4.088 4.340 -0.262 0.000 0.235 69 R C 2.488 178.794 176.300 0.011 0.000 1.131 69 R CA 1.261 57.319 56.100 -0.069 0.000 0.960 69 R CB -0.324 29.921 30.300 -0.091 0.000 0.856 69 R HN 0.598 nan 8.270 nan 0.000 0.436 70 R N 0.737 121.189 120.500 -0.080 0.000 2.081 70 R HA -0.146 4.037 4.340 -0.262 0.000 0.235 70 R C 2.149 178.447 176.300 -0.002 0.000 1.131 70 R CA 1.519 57.478 56.100 -0.234 0.000 0.960 70 R CB -0.195 29.662 30.300 -0.738 0.000 0.856 70 R HN 0.377 nan 8.270 nan 0.000 0.436 71 E N 0.122 120.318 120.200 -0.007 0.000 2.110 71 E HA -0.159 4.034 4.350 -0.262 0.000 0.193 71 E C 2.031 178.687 176.600 0.092 0.000 0.988 71 E CA 1.314 57.745 56.400 0.051 0.000 0.804 71 E CB 0.025 29.731 29.700 0.010 0.000 0.745 71 E HN 0.103 nan 8.360 nan 0.000 0.458 72 V N 1.249 121.201 119.914 0.064 0.000 2.307 72 V HA -0.243 3.720 4.120 -0.262 0.000 0.245 72 V C 2.269 178.456 176.094 0.155 0.000 1.045 72 V CA 1.443 63.795 62.300 0.088 0.000 1.024 72 V CB -0.396 31.445 31.823 0.030 0.000 0.651 72 V HN 0.255 nan 8.190 nan 0.000 0.449 73 L N -0.608 120.719 121.223 0.173 0.000 2.046 73 L HA -0.236 3.947 4.340 -0.262 0.000 0.208 73 L C 2.696 179.703 176.870 0.228 0.000 1.077 73 L CA 1.627 56.598 54.840 0.219 0.000 0.747 73 L CB -0.641 41.614 42.059 0.327 0.000 0.896 73 L HN 0.368 nan 8.230 nan 0.000 0.432 74 Q N -0.911 119.055 119.800 0.277 0.000 2.061 74 Q HA -0.288 3.895 4.340 -0.262 0.000 0.204 74 Q C 2.176 178.276 176.000 0.167 0.000 0.984 74 Q CA 2.072 58.015 55.803 0.234 0.000 0.846 74 Q CB -0.287 28.608 28.738 0.262 0.000 0.902 74 Q HN 0.523 nan 8.270 nan 0.000 0.421 75 H N 0.599 119.721 119.070 0.086 0.000 2.321 75 H HA -0.085 4.314 4.556 -0.262 0.000 0.300 75 H C 1.852 177.207 175.328 0.045 0.000 1.087 75 H CA 1.617 57.698 56.048 0.055 0.000 1.319 75 H CB -0.170 29.616 29.762 0.040 0.000 1.379 75 H HN 0.111 nan 8.280 nan 0.000 0.501 76 L N 0.119 121.368 121.223 0.043 0.000 2.083 76 L HA -0.137 4.046 4.340 -0.262 0.000 0.209 76 L C 2.567 179.411 176.870 -0.045 0.000 1.083 76 L CA 1.627 56.455 54.840 -0.021 0.000 0.752 76 L CB -0.554 41.541 42.059 0.060 0.000 0.899 76 L HN 0.421 nan 8.230 nan 0.000 0.433 77 E N 0.791 120.991 120.200 -0.001 0.000 2.130 77 E HA -0.250 3.943 4.350 -0.262 0.000 0.196 77 E C 1.946 178.523 176.600 -0.038 0.000 0.998 77 E CA 2.276 58.672 56.400 -0.006 0.000 0.806 77 E CB -0.266 29.447 29.700 0.022 0.000 0.738 77 E HN 0.526 nan 8.360 nan 0.000 0.459 78 T N -1.784 112.727 114.554 -0.072 0.000 2.942 78 T HA -0.135 4.058 4.350 -0.262 0.000 0.265 78 T C 1.672 176.305 174.700 -0.112 0.000 1.062 78 T CA 1.126 63.174 62.100 -0.086 0.000 1.139 78 T CB -0.359 68.453 68.868 -0.094 0.000 0.883 78 T HN 0.549 nan 8.240 nan 0.000 0.468 79 E N 0.394 120.495 120.200 -0.166 0.000 2.481 79 E HA 0.215 4.408 4.350 -0.262 0.000 0.198 79 E C 0.432 176.987 176.600 -0.075 0.000 1.027 79 E CA -0.466 55.852 56.400 -0.136 0.000 0.900 79 E CB 0.292 29.870 29.700 -0.204 0.000 0.993 79 E HN 0.289 nan 8.360 nan 0.000 0.482 80 K N 1.173 121.539 120.400 -0.057 0.000 2.238 80 K HA 0.297 4.460 4.320 -0.262 0.000 0.239 80 K C -0.091 176.494 176.600 -0.026 0.000 0.987 80 K CA -0.615 55.653 56.287 -0.032 0.000 0.857 80 K CB 1.817 34.305 32.500 -0.020 0.000 1.154 80 K HN 0.131 nan 8.250 nan 0.000 0.439 81 S N 0.318 116.007 115.700 -0.019 0.000 2.584 81 S HA 0.112 4.424 4.470 -0.262 0.000 0.270 81 S C -1.892 172.699 174.600 -0.016 0.000 1.346 81 S CA -0.861 57.329 58.200 -0.017 0.000 1.018 81 S CB 0.745 63.937 63.200 -0.013 0.000 0.899 81 S HN 0.281 nan 8.310 nan 0.000 0.542 82 P HA -0.016 nan 4.420 nan 0.000 0.216 82 P C 1.755 179.045 177.300 -0.017 0.000 1.150 82 P CA 2.164 65.254 63.100 -0.018 0.000 0.843 82 P CB -0.303 31.386 31.700 -0.019 0.000 0.787 83 E N 0.403 120.594 120.200 -0.014 0.000 2.107 83 E HA -0.210 3.983 4.350 -0.262 0.000 0.191 83 E C 1.863 178.457 176.600 -0.010 0.000 0.982 83 E CA 1.319 57.711 56.400 -0.013 0.000 0.809 83 E CB -1.446 28.247 29.700 -0.012 0.000 0.756 83 E HN 0.428 nan 8.360 nan 0.000 0.459 84 E N 0.199 120.394 120.200 -0.009 0.000 2.110 84 E HA -0.097 4.096 4.350 -0.262 0.000 0.193 84 E C 2.492 179.091 176.600 -0.002 0.000 0.988 84 E CA 1.179 57.575 56.400 -0.005 0.000 0.804 84 E CB -0.062 29.634 29.700 -0.006 0.000 0.745 84 E HN 0.401 nan 8.360 nan 0.000 0.458 85 S N 0.121 115.818 115.700 -0.005 0.000 2.356 85 S HA -0.163 4.150 4.470 -0.262 0.000 0.223 85 S C 2.068 176.666 174.600 -0.003 0.000 1.032 85 S CA 0.989 59.188 58.200 -0.002 0.000 1.005 85 S CB -0.191 63.004 63.200 -0.009 0.000 0.867 85 S HN 0.402 nan 8.310 nan 0.000 0.449 86 A N 1.248 124.061 122.820 -0.012 0.000 1.940 86 A HA 0.029 4.192 4.320 -0.262 0.000 0.219 86 A C 2.294 179.873 177.584 -0.008 0.000 1.176 86 A CA 1.865 53.892 52.037 -0.016 0.000 0.631 86 A CB -1.002 17.985 19.000 -0.022 0.000 0.814 86 A HN 0.550 nan 8.150 nan 0.000 0.446 87 A N -0.524 122.295 122.820 -0.003 0.000 1.898 87 A HA 0.016 4.179 4.320 -0.262 0.000 0.216 87 A C 2.163 179.755 177.584 0.012 0.000 1.181 87 A CA 1.362 53.401 52.037 0.003 0.000 0.620 87 A CB -0.534 18.466 19.000 0.001 0.000 0.819 87 A HN 0.462 nan 8.150 nan 0.000 0.442 88 L N 0.082 121.315 121.223 0.017 0.000 2.083 88 L HA -0.170 4.013 4.340 -0.262 0.000 0.209 88 L C 2.720 179.620 176.870 0.049 0.000 1.083 88 L CA 1.573 56.432 54.840 0.032 0.000 0.752 88 L CB -0.403 41.680 42.059 0.039 0.000 0.899 88 L HN 0.487 nan 8.230 nan 0.000 0.433 89 V N -3.075 116.861 119.914 0.036 0.000 2.453 89 V HA -0.206 3.757 4.120 -0.262 0.000 0.247 89 V C 2.294 178.409 176.094 0.035 0.000 1.048 89 V CA 1.329 63.651 62.300 0.037 0.000 1.049 89 V CB -0.624 31.198 31.823 -0.001 0.000 0.672 89 V HN 0.358 nan 8.190 nan 0.000 0.457 90 K N 1.126 121.538 120.400 0.020 0.000 2.097 90 K HA 0.045 4.208 4.320 -0.262 0.000 0.205 90 K C 2.447 179.075 176.600 0.046 0.000 1.050 90 K CA 1.460 57.759 56.287 0.021 0.000 0.938 90 K CB -0.512 31.992 32.500 0.007 0.000 0.718 90 K HN 0.603 nan 8.250 nan 0.000 0.442 91 A N 1.397 124.248 122.820 0.052 0.000 1.933 91 A HA -0.212 3.951 4.320 -0.262 0.000 0.218 91 A C 2.041 179.702 177.584 0.128 0.000 1.175 91 A CA 1.679 53.758 52.037 0.069 0.000 0.628 91 A CB -0.348 18.677 19.000 0.041 0.000 0.814 91 A HN 0.229 nan 8.150 nan 0.000 0.444 92 E N 0.118 120.403 120.200 0.141 0.000 2.077 92 E HA -0.102 4.091 4.350 -0.262 0.000 0.193 92 E C 1.841 178.578 176.600 0.227 0.000 0.989 92 E CA 1.033 57.576 56.400 0.239 0.000 0.800 92 E CB -0.362 29.475 29.700 0.228 0.000 0.746 92 E HN 0.610 nan 8.360 nan 0.000 0.452 93 L N -0.767 120.529 121.223 0.121 0.000 2.083 93 L HA -0.092 4.091 4.340 -0.262 0.000 0.209 93 L C 2.391 179.301 176.870 0.067 0.000 1.083 93 L CA 1.278 56.159 54.840 0.067 0.000 0.752 93 L CB -0.621 41.457 42.059 0.031 0.000 0.899 93 L HN 0.300 nan 8.230 nan 0.000 0.433 94 G N -0.621 108.237 108.800 0.097 0.000 2.394 94 G HA2 -0.298 3.505 3.960 -0.262 0.000 0.215 94 G HA3 -0.298 3.505 3.960 -0.262 0.000 0.215 94 G C 1.447 176.423 174.900 0.127 0.000 1.165 94 G CA 0.310 45.463 45.100 0.089 0.000 0.784 94 G HN 0.264 nan 8.290 nan 0.000 0.535 95 F N 1.399 121.372 119.950 0.039 0.000 2.095 95 F HA -0.018 4.353 4.527 -0.261 0.000 0.298 95 F C 2.372 178.211 175.800 0.065 0.000 1.104 95 F CA 1.196 59.228 58.000 0.054 0.000 1.232 95 F CB -0.420 38.629 39.000 0.082 0.000 0.987 95 F HN 0.054 nan 8.300 nan 0.000 0.475 96 L N 0.002 121.186 121.223 -0.066 0.000 2.017 96 L HA -0.216 3.967 4.340 -0.262 0.000 0.208 96 L C 2.578 179.269 176.870 -0.298 0.000 1.073 96 L CA 1.949 56.650 54.840 -0.232 0.000 0.745 96 L CB -0.757 41.229 42.059 -0.121 0.000 0.894 96 L HN 0.225 nan 8.230 nan 0.000 0.432 97 E N -0.142 119.957 120.200 -0.168 0.000 2.077 97 E HA -0.234 3.959 4.350 -0.262 0.000 0.193 97 E C 2.262 178.816 176.600 -0.076 0.000 0.989 97 E CA 1.475 57.811 56.400 -0.107 0.000 0.800 97 E CB 0.082 29.779 29.700 -0.005 0.000 0.746 97 E HN 0.520 nan 8.360 nan 0.000 0.452 98 S N -0.233 115.412 115.700 -0.092 0.000 2.382 98 S HA -0.187 4.126 4.470 -0.262 0.000 0.228 98 S C 2.276 176.789 174.600 -0.145 0.000 1.027 98 S CA 1.206 59.357 58.200 -0.080 0.000 0.991 98 S CB -0.775 62.406 63.200 -0.031 0.000 0.823 98 S HN 0.417 nan 8.310 nan 0.000 0.469 99 C N 1.383 120.507 119.300 -0.293 0.000 2.429 99 C HA 0.150 4.453 4.460 -0.262 0.000 0.277 99 C C 2.708 177.568 174.990 -0.216 0.000 1.262 99 C CA 0.584 59.432 59.018 -0.283 0.000 1.733 99 C CB -1.625 25.885 27.740 -0.383 0.000 2.010 99 C HN 0.599 nan 8.230 nan 0.000 0.483 100 L N 0.092 121.141 121.223 -0.290 0.000 2.141 100 L HA -0.130 4.053 4.340 -0.262 0.000 0.209 100 L C 2.857 179.748 176.870 0.035 0.000 1.094 100 L CA 1.289 55.934 54.840 -0.326 0.000 0.763 100 L CB -0.605 41.024 42.059 -0.717 0.000 0.908 100 L HN 0.353 nan 8.230 nan 0.000 0.437 101 R N -0.333 120.228 120.500 0.102 0.000 2.096 101 R HA -0.143 4.040 4.340 -0.262 0.000 0.235 101 R C 2.242 178.568 176.300 0.043 0.000 1.127 101 R CA 1.742 57.904 56.100 0.103 0.000 0.968 101 R CB -0.341 29.974 30.300 0.024 0.000 0.861 101 R HN 0.424 nan 8.270 nan 0.000 0.440 102 V N -1.516 118.398 119.914 -0.000 0.000 2.446 102 V HA 0.058 4.021 4.120 -0.262 0.000 0.244 102 V C 0.620 176.712 176.094 -0.003 0.000 1.039 102 V CA 0.943 63.240 62.300 -0.005 0.000 1.045 102 V CB -0.242 31.572 31.823 -0.016 0.000 0.681 102 V HN 0.124 nan 8.190 nan 0.000 0.459 103 N N 1.545 120.229 118.700 -0.028 0.000 2.664 103 N HA 0.404 4.987 4.740 -0.262 0.000 0.257 103 N C -2.353 173.111 175.510 -0.078 0.000 1.108 103 N CA -1.918 51.111 53.050 -0.035 0.000 0.822 103 N CB 1.768 40.237 38.487 -0.031 0.000 1.199 103 N HN 0.236 nan 8.380 nan 0.000 0.529 104 P HA 0.110 nan 4.420 nan 0.000 0.253 104 P C -0.134 177.198 177.300 0.052 0.000 1.260 104 P CA 0.495 63.605 63.100 0.017 0.000 0.800 104 P CB 0.281 32.105 31.700 0.207 0.000 1.162 105 K N -0.456 119.868 120.400 -0.126 0.000 2.618 105 K HA 0.201 4.364 4.320 -0.262 0.000 0.207 105 K C 0.250 176.487 176.600 -0.605 0.000 1.058 105 K CA -0.096 55.945 56.287 -0.410 0.000 1.086 105 K CB 0.650 33.045 32.500 -0.175 0.000 0.827 105 K HN -0.095 nan 8.250 nan 0.000 0.481 106 S N -0.017 115.454 115.700 -0.382 0.000 2.457 106 S HA 0.179 4.492 4.470 -0.262 0.000 0.289 106 S C 0.824 175.327 174.600 -0.162 0.000 1.163 106 S CA -0.578 57.496 58.200 -0.210 0.000 1.078 106 S CB 0.402 63.572 63.200 -0.049 0.000 0.987 106 S HN 0.231 nan 8.310 nan 0.000 0.482 107 Y N 3.935 124.241 120.300 0.009 0.000 2.181 107 Y HA -0.007 4.386 4.550 -0.262 0.000 0.288 107 Y C 2.561 178.508 175.900 0.077 0.000 1.146 107 Y CA 1.842 60.026 58.100 0.141 0.000 1.164 107 Y CB -0.808 37.762 38.460 0.184 0.000 0.982 107 Y HN 0.825 nan 8.280 nan 0.000 0.515 108 G N -1.206 107.699 108.800 0.176 0.000 2.442 108 G HA2 -0.241 3.562 3.960 -0.262 0.000 0.219 108 G HA3 -0.241 3.562 3.960 -0.262 0.000 0.219 108 G C 1.705 176.252 174.900 -0.588 0.000 1.141 108 G CA 1.669 46.721 45.100 -0.080 0.000 0.763 108 G HN 0.357 nan 8.290 nan 0.000 0.554 109 T N 0.007 114.260 114.554 -0.502 0.000 2.737 109 T HA -0.127 4.066 4.350 -0.262 0.000 0.265 109 T C 2.005 176.325 174.700 -0.633 0.000 1.038 109 T CA 1.186 62.810 62.100 -0.794 0.000 1.144 109 T CB -0.299 68.258 68.868 -0.518 0.000 0.866 109 T HN 0.535 nan 8.240 nan 0.000 0.434 110 W N 0.911 121.986 121.300 -0.375 0.000 2.388 110 W HA -0.040 4.464 4.660 -0.260 0.000 0.294 110 W C 2.499 178.900 176.519 -0.197 0.000 1.212 110 W CA 0.762 57.912 57.345 -0.325 0.000 1.271 110 W CB -0.409 28.917 29.460 -0.222 0.000 1.126 110 W HN 0.427 nan 8.180 nan 0.000 0.535 111 H N -1.263 117.819 119.070 0.020 0.000 2.357 111 H HA -0.205 4.194 4.556 -0.262 0.000 0.301 111 H C 2.195 177.514 175.328 -0.015 0.000 1.082 111 H CA 1.939 57.994 56.048 0.011 0.000 1.342 111 H CB -0.455 29.323 29.762 0.026 0.000 1.389 111 H HN 0.226 nan 8.280 nan 0.000 0.511 112 H N 0.881 119.706 119.070 -0.408 0.000 2.387 112 H HA -0.136 4.263 4.556 -0.262 0.000 0.299 112 H C 2.599 177.835 175.328 -0.154 0.000 1.099 112 H CA 1.489 57.305 56.048 -0.387 0.000 1.315 112 H CB 0.097 29.441 29.762 -0.698 0.000 1.380 112 H HN 0.304 nan 8.280 nan 0.000 0.513 113 R N -0.151 120.209 120.500 -0.234 0.000 2.081 113 R HA -0.117 4.066 4.340 -0.262 0.000 0.235 113 R C 2.714 179.027 176.300 0.021 0.000 1.131 113 R CA 1.659 57.664 56.100 -0.159 0.000 0.960 113 R CB -0.394 29.725 30.300 -0.301 0.000 0.856 113 R HN 0.316 nan 8.270 nan 0.000 0.436 114 C N -0.686 118.617 119.300 0.005 0.000 2.432 114 C HA -0.122 4.181 4.460 -0.262 0.000 0.277 114 C C 2.259 177.222 174.990 -0.046 0.000 1.249 114 C CA 0.540 59.510 59.018 -0.080 0.000 1.725 114 C CB -1.245 26.249 27.740 -0.410 0.000 2.028 114 C HN 0.761 nan 8.230 nan 0.000 0.477 115 W N 1.171 122.257 121.300 -0.356 0.000 2.338 115 W HA -0.169 4.334 4.660 -0.262 0.000 0.304 115 W C 2.203 178.634 176.519 -0.147 0.000 1.212 115 W CA 1.542 58.724 57.345 -0.272 0.000 1.264 115 W CB -0.484 28.753 29.460 -0.371 0.000 1.142 115 W HN 0.255 nan 8.180 nan 0.000 0.512 116 L N 0.319 121.534 121.223 -0.013 0.000 2.005 116 L HA -0.162 4.021 4.340 -0.262 0.000 0.207 116 L C 2.373 179.143 176.870 -0.167 0.000 1.072 116 L CA 1.759 56.501 54.840 -0.164 0.000 0.744 116 L CB -1.171 40.851 42.059 -0.061 0.000 0.895 116 L HN 0.008 nan 8.230 nan 0.000 0.433 117 L N -0.816 120.410 121.223 0.006 0.000 2.083 117 L HA -0.175 4.008 4.340 -0.262 0.000 0.209 117 L C 2.511 179.456 176.870 0.124 0.000 1.083 117 L CA 1.740 56.616 54.840 0.059 0.000 0.752 117 L CB -1.358 40.884 42.059 0.304 0.000 0.899 117 L HN 0.343 nan 8.230 nan 0.000 0.433 118 S N -0.612 115.211 115.700 0.204 0.000 2.419 118 S HA -0.152 4.161 4.470 -0.262 0.000 0.233 118 S C 1.985 176.566 174.600 -0.031 0.000 1.016 118 S CA 0.956 59.268 58.200 0.186 0.000 0.974 118 S CB -0.165 63.133 63.200 0.164 0.000 0.786 118 S HN 0.388 nan 8.310 nan 0.000 0.492 119 R N -0.119 120.246 120.500 -0.226 0.000 2.193 119 R HA 0.109 4.292 4.340 -0.262 0.000 0.213 119 R C -0.275 175.921 176.300 -0.174 0.000 1.055 119 R CA 0.246 56.174 56.100 -0.287 0.000 0.995 119 R CB -0.097 29.887 30.300 -0.527 0.000 0.893 119 R HN 0.203 nan 8.270 nan 0.000 0.459 120 L N 0.951 122.087 121.223 -0.145 0.000 2.417 120 L HA 0.126 4.309 4.340 -0.262 0.000 0.268 120 L C -1.336 175.475 176.870 -0.099 0.000 1.158 120 L CA -1.781 52.978 54.840 -0.135 0.000 0.819 120 L CB 0.617 42.571 42.059 -0.174 0.000 1.112 120 L HN -0.111 nan 8.230 nan 0.000 0.458 121 P HA -0.176 nan 4.420 nan 0.000 0.213 121 P C 0.696 177.962 177.300 -0.057 0.000 1.176 121 P CA 2.745 65.808 63.100 -0.062 0.000 0.919 121 P CB 0.425 32.092 31.700 -0.056 0.000 0.791 122 E N -5.053 115.096 120.200 -0.086 0.000 3.393 122 E HA -0.040 4.153 4.350 -0.262 0.000 0.170 122 E C -1.921 174.548 176.600 -0.218 0.000 0.577 122 E CA 0.193 56.518 56.400 -0.126 0.000 2.836 122 E CB -2.827 26.800 29.700 -0.121 0.000 1.541 122 E HN 0.458 nan 8.360 nan 0.000 0.753 123 P HA 0.403 nan 4.420 nan 0.000 0.271 123 P C -0.743 176.131 177.300 -0.710 0.000 1.216 123 P CA -0.032 62.670 63.100 -0.664 0.000 0.776 123 P CB 0.774 31.761 31.700 -1.189 0.000 0.881 124 N N 1.731 120.102 118.700 -0.549 0.000 2.868 124 N HA 0.058 4.641 4.740 -0.262 0.000 0.252 124 N C 0.509 175.867 175.510 -0.254 0.000 1.130 124 N CA -0.344 52.514 53.050 -0.320 0.000 1.026 124 N CB -0.376 38.013 38.487 -0.163 0.000 1.335 124 N HN 0.438 nan 8.380 nan 0.000 0.516 125 W N 2.023 123.302 121.300 -0.035 0.000 2.425 125 W HA -0.010 4.494 4.660 -0.261 0.000 0.277 125 W C 2.109 178.600 176.519 -0.046 0.000 1.231 125 W CA 0.460 57.771 57.345 -0.057 0.000 1.248 125 W CB 0.086 29.484 29.460 -0.104 0.000 1.117 125 W HN 0.558 nan 8.180 nan 0.000 0.568 126 A N 0.746 123.663 122.820 0.162 0.000 1.930 126 A HA -0.180 3.983 4.320 -0.262 0.000 0.217 126 A C 1.996 179.625 177.584 0.075 0.000 1.175 126 A CA 1.575 53.666 52.037 0.091 0.000 0.627 126 A CB -0.794 18.239 19.000 0.055 0.000 0.815 126 A HN 0.326 nan 8.150 nan 0.000 0.443 127 R N -0.294 120.244 120.500 0.063 0.000 2.096 127 R HA -0.155 4.028 4.340 -0.262 0.000 0.235 127 R C 1.635 178.003 176.300 0.115 0.000 1.127 127 R CA 1.673 57.811 56.100 0.063 0.000 0.968 127 R CB -0.195 30.122 30.300 0.029 0.000 0.861 127 R HN 0.440 nan 8.270 nan 0.000 0.440 128 E N 0.831 121.130 120.200 0.166 0.000 2.106 128 E HA -0.151 4.042 4.350 -0.262 0.000 0.192 128 E C 2.121 178.860 176.600 0.232 0.000 0.984 128 E CA 0.784 57.351 56.400 0.278 0.000 0.806 128 E CB -0.169 29.774 29.700 0.405 0.000 0.750 128 E HN 0.427 nan 8.360 nan 0.000 0.458 129 L N 0.804 122.104 121.223 0.128 0.000 2.131 129 L HA -0.188 3.995 4.340 -0.262 0.000 0.210 129 L C 2.510 179.389 176.870 0.014 0.000 1.092 129 L CA 1.031 55.883 54.840 0.020 0.000 0.759 129 L CB -0.176 41.859 42.059 -0.041 0.000 0.903 129 L HN 0.080 nan 8.230 nan 0.000 0.435 130 E N 0.758 120.993 120.200 0.060 0.000 2.046 130 E HA -0.226 3.967 4.350 -0.262 0.000 0.190 130 E C 2.121 178.787 176.600 0.110 0.000 0.982 130 E CA 1.037 57.475 56.400 0.063 0.000 0.800 130 E CB -0.319 29.416 29.700 0.058 0.000 0.756 130 E HN 0.344 nan 8.360 nan 0.000 0.449 131 L N -0.089 121.234 121.223 0.166 0.000 2.051 131 L HA -0.301 3.882 4.340 -0.262 0.000 0.214 131 L C 2.240 179.324 176.870 0.357 0.000 1.076 131 L CA 2.056 57.057 54.840 0.269 0.000 0.758 131 L CB -0.402 41.835 42.059 0.296 0.000 0.890 131 L HN 0.316 nan 8.230 nan 0.000 0.433 132 C N -0.422 119.040 119.300 0.270 0.000 2.432 132 C HA -0.128 4.175 4.460 -0.262 0.000 0.277 132 C C 3.082 178.130 174.990 0.096 0.000 1.249 132 C CA 0.652 59.783 59.018 0.189 0.000 1.725 132 C CB -1.509 26.260 27.740 0.048 0.000 2.028 132 C HN 0.755 nan 8.230 nan 0.000 0.477 133 A N 0.534 123.387 122.820 0.056 0.000 1.908 133 A HA -0.219 3.944 4.320 -0.262 0.000 0.218 133 A C 2.259 179.908 177.584 0.109 0.000 1.181 133 A CA 1.596 53.711 52.037 0.130 0.000 0.627 133 A CB -0.552 18.532 19.000 0.141 0.000 0.818 133 A HN 0.675 nan 8.150 nan 0.000 0.445 134 R N -1.935 118.617 120.500 0.087 0.000 2.073 134 R HA -0.089 4.094 4.340 -0.262 0.000 0.234 134 R C 1.903 178.168 176.300 -0.058 0.000 1.134 134 R CA 1.660 57.757 56.100 -0.005 0.000 0.952 134 R CB -0.491 29.774 30.300 -0.058 0.000 0.850 134 R HN 0.579 nan 8.270 nan 0.000 0.433 135 F N 0.844 120.815 119.950 0.036 0.000 2.234 135 F HA -0.088 4.282 4.527 -0.263 0.000 0.299 135 F C 2.172 177.967 175.800 -0.008 0.000 1.087 135 F CA 0.979 59.004 58.000 0.041 0.000 1.340 135 F CB -0.123 38.955 39.000 0.129 0.000 1.031 135 F HN -0.058 nan 8.300 nan 0.000 0.500 136 L N -0.048 121.231 121.223 0.094 0.000 2.217 136 L HA -0.148 4.035 4.340 -0.262 0.000 0.211 136 L C 2.344 179.225 176.870 0.019 0.000 1.107 136 L CA 1.261 56.084 54.840 -0.028 0.000 0.783 136 L CB -0.668 41.273 42.059 -0.197 0.000 0.919 136 L HN 0.253 nan 8.230 nan 0.000 0.442 137 E N 0.530 120.744 120.200 0.023 0.000 2.216 137 E HA -0.119 4.074 4.350 -0.262 0.000 0.192 137 E C 2.128 178.730 176.600 0.004 0.000 0.988 137 E CA 0.917 57.323 56.400 0.010 0.000 0.834 137 E CB -0.101 29.601 29.700 0.004 0.000 0.772 137 E HN 0.357 nan 8.360 nan 0.000 0.479 138 A N 1.227 124.043 122.820 -0.008 0.000 1.872 138 A HA -0.080 4.083 4.320 -0.262 0.000 0.214 138 A C 0.955 178.565 177.584 0.043 0.000 1.187 138 A CA 1.316 53.350 52.037 -0.005 0.000 0.614 138 A CB 0.054 19.023 19.000 -0.051 0.000 0.826 138 A HN 0.276 nan 8.150 nan 0.000 0.442 139 D N -1.044 119.402 120.400 0.076 0.000 2.336 139 D HA 0.149 4.632 4.640 -0.262 0.000 0.248 139 D C 0.538 176.910 176.300 0.120 0.000 1.326 139 D CA -0.268 53.792 54.000 0.100 0.000 0.973 139 D CB 0.744 41.612 40.800 0.114 0.000 1.255 139 D HN 0.333 nan 8.370 nan 0.000 0.558 140 E N 2.583 122.868 120.200 0.141 0.000 2.478 140 E HA -0.089 4.104 4.350 -0.262 0.000 0.198 140 E C 0.570 177.424 176.600 0.424 0.000 1.046 140 E CA 0.245 56.783 56.400 0.229 0.000 0.870 140 E CB 0.304 30.120 29.700 0.194 0.000 0.818 140 E HN 0.259 nan 8.360 nan 0.000 0.527 141 R N 1.190 121.873 120.500 0.305 0.000 2.432 141 R HA 0.123 4.306 4.340 -0.262 0.000 0.260 141 R C 0.320 176.804 176.300 0.307 0.000 0.935 141 R CA -0.237 56.056 56.100 0.322 0.000 1.080 141 R CB -0.498 29.924 30.300 0.204 0.000 1.155 141 R HN 0.051 nan 8.270 nan 0.000 0.531 142 N N 2.030 120.872 118.700 0.236 0.000 2.400 142 N HA -0.074 4.509 4.740 -0.262 0.000 0.267 142 N C 0.916 176.476 175.510 0.084 0.000 1.208 142 N CA -0.168 52.927 53.050 0.075 0.000 0.951 142 N CB 0.151 38.651 38.487 0.021 0.000 1.227 142 N HN 0.119 nan 8.380 nan 0.000 0.488 143 F N 2.904 122.884 119.950 0.050 0.000 2.269 143 F HA -0.055 4.316 4.527 -0.261 0.000 0.301 143 F C 1.469 177.128 175.800 -0.235 0.000 1.082 143 F CA 0.906 58.883 58.000 -0.038 0.000 1.360 143 F CB -0.557 38.340 39.000 -0.172 0.000 1.041 143 F HN 0.450 nan 8.300 nan 0.000 0.512 144 H N -0.561 118.041 119.070 -0.779 0.000 2.352 144 H HA -0.171 4.228 4.556 -0.261 0.000 0.299 144 H C 2.470 177.127 175.328 -1.118 0.000 1.097 144 H CA 2.002 57.466 56.048 -0.972 0.000 1.311 144 H CB -0.847 28.045 29.762 -1.450 0.000 1.377 144 H HN 0.536 nan 8.280 nan 0.000 0.504 145 C N -0.160 118.614 119.300 -0.876 0.000 2.466 145 C HA -0.132 4.170 4.460 -0.262 0.000 0.278 145 C C 2.295 177.076 174.990 -0.348 0.000 1.288 145 C CA 0.370 58.920 59.018 -0.781 0.000 1.722 145 C CB -1.399 26.086 27.740 -0.425 0.000 2.017 145 C HN 0.690 nan 8.230 nan 0.000 0.488 146 W N 1.090 122.274 121.300 -0.193 0.000 2.358 146 W HA -0.074 4.432 4.660 -0.257 0.000 0.303 146 W C 2.282 178.699 176.519 -0.169 0.000 1.208 146 W CA 1.336 58.591 57.345 -0.149 0.000 1.274 146 W CB -0.416 28.977 29.460 -0.112 0.000 1.138 146 W HN 0.305 nan 8.180 nan 0.000 0.515 147 D N -1.160 119.290 120.400 0.083 0.000 2.117 147 D HA -0.238 4.245 4.640 -0.262 0.000 0.197 147 D C 1.699 178.048 176.300 0.082 0.000 0.987 147 D CA 1.338 55.374 54.000 0.059 0.000 0.829 147 D CB -0.831 40.002 40.800 0.055 0.000 0.961 147 D HN 0.164 nan 8.370 nan 0.000 0.460 148 Y N 1.621 121.853 120.300 -0.114 0.000 2.181 148 Y HA -0.150 4.243 4.550 -0.262 0.000 0.288 148 Y C 2.434 178.402 175.900 0.114 0.000 1.146 148 Y CA 1.556 59.676 58.100 0.034 0.000 1.164 148 Y CB -0.100 38.342 38.460 -0.030 0.000 0.982 148 Y HN -0.189 nan 8.280 nan 0.000 0.515 149 R N 0.149 120.641 120.500 -0.013 0.000 2.091 149 R HA -0.188 3.995 4.340 -0.262 0.000 0.238 149 R C 2.390 178.626 176.300 -0.106 0.000 1.136 149 R CA 1.739 57.779 56.100 -0.100 0.000 0.959 149 R CB -0.189 30.039 30.300 -0.120 0.000 0.856 149 R HN 0.320 nan 8.270 nan 0.000 0.437 150 R N -0.607 119.861 120.500 -0.052 0.000 2.081 150 R HA -0.161 4.022 4.340 -0.262 0.000 0.235 150 R C 2.195 178.460 176.300 -0.058 0.000 1.131 150 R CA 1.689 57.773 56.100 -0.026 0.000 0.960 150 R CB -0.481 29.818 30.300 -0.002 0.000 0.856 150 R HN 0.241 nan 8.270 nan 0.000 0.436 151 F N 1.218 121.059 119.950 -0.182 0.000 2.069 151 F HA -0.245 4.124 4.527 -0.262 0.000 0.298 151 F C 1.997 177.548 175.800 -0.415 0.000 1.113 151 F CA 1.521 59.377 58.000 -0.239 0.000 1.214 151 F CB -0.558 38.332 39.000 -0.184 0.000 0.978 151 F HN -0.278 nan 8.300 nan 0.000 0.474 152 V N 0.787 120.274 119.914 -0.713 0.000 2.407 152 V HA -0.302 3.661 4.120 -0.262 0.000 0.248 152 V C 2.772 178.444 176.094 -0.702 0.000 1.055 152 V CA 1.802 63.589 62.300 -0.856 0.000 1.049 152 V CB -1.629 29.943 31.823 -0.419 0.000 0.662 152 V HN 0.557 nan 8.190 nan 0.000 0.455 153 A N -0.108 122.464 122.820 -0.413 0.000 1.898 153 A HA -0.062 4.101 4.320 -0.262 0.000 0.216 153 A C 2.414 179.800 177.584 -0.330 0.000 1.181 153 A CA 1.917 53.786 52.037 -0.280 0.000 0.620 153 A CB -0.699 18.239 19.000 -0.103 0.000 0.819 153 A HN 0.558 nan 8.150 nan 0.000 0.442 154 A N -1.112 121.494 122.820 -0.356 0.000 1.930 154 A HA -0.149 4.014 4.320 -0.262 0.000 0.217 154 A C 2.134 179.437 177.584 -0.468 0.000 1.175 154 A CA 1.508 53.352 52.037 -0.323 0.000 0.627 154 A CB -0.413 18.446 19.000 -0.236 0.000 0.815 154 A HN 0.516 nan 8.150 nan 0.000 0.443 155 Q N -0.600 118.711 119.800 -0.815 0.000 2.079 155 Q HA -0.059 4.124 4.340 -0.262 0.000 0.200 155 Q C 2.134 177.613 176.000 -0.870 0.000 0.974 155 Q CA 1.561 56.754 55.803 -1.016 0.000 0.840 155 Q CB -0.505 27.054 28.738 -1.965 0.000 0.898 155 Q HN 0.634 nan 8.270 nan 0.000 0.430 156 A N 0.112 122.401 122.820 -0.884 0.000 2.238 156 A HA 0.388 4.551 4.320 -0.262 0.000 0.208 156 A C 1.104 178.549 177.584 -0.233 0.000 1.177 156 A CA 0.750 52.515 52.037 -0.454 0.000 0.804 156 A CB -0.215 18.608 19.000 -0.296 0.000 0.823 156 A HN 0.317 nan 8.150 nan 0.000 0.482 157 A N -1.143 121.528 122.820 -0.249 0.000 2.745 157 A HA -0.117 4.046 4.320 -0.262 0.000 0.296 157 A C 0.391 177.906 177.584 -0.115 0.000 1.500 157 A CA 0.710 52.655 52.037 -0.153 0.000 0.766 157 A CB -2.604 16.333 19.000 -0.105 0.000 1.030 157 A HN 0.884 nan 8.150 nan 0.000 0.489 158 V N -0.008 119.827 119.914 -0.130 0.000 2.585 158 V HA 0.392 4.355 4.120 -0.262 0.000 0.296 158 V C 1.206 177.258 176.094 -0.069 0.000 1.035 158 V CA 0.253 62.500 62.300 -0.088 0.000 1.084 158 V CB 0.778 32.547 31.823 -0.090 0.000 0.953 158 V HN 1.403 nan 8.190 nan 0.000 0.483 159 A N 7.376 130.163 122.820 -0.055 0.000 2.371 159 A HA 0.510 4.673 4.320 -0.262 0.000 0.257 159 A C -1.033 176.519 177.584 -0.054 0.000 1.089 159 A CA -1.192 50.814 52.037 -0.052 0.000 0.794 159 A CB 0.081 19.053 19.000 -0.047 0.000 1.029 159 A HN 0.718 nan 8.150 nan 0.000 0.488 160 P HA -0.199 nan 4.420 nan 0.000 0.217 160 P C 1.522 178.772 177.300 -0.083 0.000 1.148 160 P CA 2.164 65.216 63.100 -0.079 0.000 0.828 160 P CB 0.102 31.755 31.700 -0.079 0.000 0.783 161 A N 0.050 122.831 122.820 -0.066 0.000 1.933 161 A HA -0.201 3.962 4.320 -0.262 0.000 0.218 161 A C 2.200 179.765 177.584 -0.031 0.000 1.175 161 A CA 1.406 53.412 52.037 -0.051 0.000 0.628 161 A CB -0.900 18.072 19.000 -0.046 0.000 0.814 161 A HN 0.100 nan 8.150 nan 0.000 0.444 162 E N 0.014 120.200 120.200 -0.024 0.000 2.072 162 E HA -0.155 4.038 4.350 -0.262 0.000 0.191 162 E C 1.863 178.479 176.600 0.028 0.000 0.985 162 E CA 1.044 57.445 56.400 0.002 0.000 0.801 162 E CB -0.280 29.416 29.700 -0.007 0.000 0.750 162 E HN 0.580 nan 8.360 nan 0.000 0.452 163 E N 0.779 120.976 120.200 -0.006 0.000 2.150 163 E HA -0.133 4.060 4.350 -0.262 0.000 0.193 163 E C 2.218 178.797 176.600 -0.035 0.000 0.985 163 E CA 0.272 56.676 56.400 0.007 0.000 0.814 163 E CB -0.271 29.375 29.700 -0.090 0.000 0.752 163 E HN 0.136 nan 8.360 nan 0.000 0.466 164 L N 0.889 122.057 121.223 -0.092 0.000 2.046 164 L HA -0.111 4.072 4.340 -0.262 0.000 0.208 164 L C 2.228 179.081 176.870 -0.029 0.000 1.077 164 L CA 1.889 56.674 54.840 -0.092 0.000 0.747 164 L CB -0.587 41.430 42.059 -0.070 0.000 0.896 164 L HN 0.048 nan 8.230 nan 0.000 0.432 165 A N -1.112 121.716 122.820 0.013 0.000 1.933 165 A HA -0.275 3.888 4.320 -0.262 0.000 0.218 165 A C 2.251 179.877 177.584 0.069 0.000 1.175 165 A CA 1.765 53.819 52.037 0.028 0.000 0.628 165 A CB -1.149 17.873 19.000 0.037 0.000 0.814 165 A HN 0.521 nan 8.150 nan 0.000 0.444 166 F N 2.135 122.078 119.950 -0.012 0.000 2.095 166 F HA -0.238 4.132 4.527 -0.261 0.000 0.298 166 F C 2.742 178.563 175.800 0.034 0.000 1.104 166 F CA 2.513 60.531 58.000 0.029 0.000 1.232 166 F CB -0.734 38.317 39.000 0.086 0.000 0.987 166 F HN 0.361 nan 8.300 nan 0.000 0.475 167 T N -2.543 112.000 114.554 -0.019 0.000 2.821 167 T HA -0.181 4.012 4.350 -0.262 0.000 0.267 167 T C 1.746 176.269 174.700 -0.295 0.000 1.046 167 T CA 1.355 63.356 62.100 -0.165 0.000 1.139 167 T CB -0.712 68.066 68.868 -0.151 0.000 0.871 167 T HN 0.260 nan 8.240 nan 0.000 0.454 168 D N 2.234 122.499 120.400 -0.225 0.000 2.103 168 D HA -0.142 4.341 4.640 -0.262 0.000 0.190 168 D C 2.679 178.845 176.300 -0.223 0.000 0.997 168 D CA 2.196 56.063 54.000 -0.221 0.000 0.833 168 D CB -0.604 40.120 40.800 -0.127 0.000 0.961 168 D HN 0.654 nan 8.370 nan 0.000 0.447 169 S N 0.248 115.833 115.700 -0.193 0.000 2.400 169 S HA -0.146 4.167 4.470 -0.262 0.000 0.232 169 S C 2.096 176.564 174.600 -0.219 0.000 1.025 169 S CA 0.650 58.746 58.200 -0.174 0.000 0.993 169 S CB -0.402 62.714 63.200 -0.140 0.000 0.808 169 S HN 0.067 nan 8.310 nan 0.000 0.478 170 L N 1.070 122.104 121.223 -0.314 0.000 2.072 170 L HA 0.264 4.447 4.340 -0.262 0.000 0.205 170 L C 2.412 179.142 176.870 -0.232 0.000 1.079 170 L CA 1.279 55.949 54.840 -0.284 0.000 0.752 170 L CB -0.610 41.250 42.059 -0.332 0.000 0.906 170 L HN 0.329 nan 8.230 nan 0.000 0.436 171 I N -1.128 119.248 120.570 -0.324 0.000 2.439 171 I HA -0.247 3.766 4.170 -0.262 0.000 0.251 171 I C 2.342 178.335 176.117 -0.208 0.000 1.139 171 I CA 1.589 62.666 61.300 -0.371 0.000 1.438 171 I CB -0.423 37.144 38.000 -0.722 0.000 1.085 171 I HN 0.409 nan 8.210 nan 0.000 0.427 172 T N -0.928 113.521 114.554 -0.175 0.000 2.978 172 T HA -0.104 4.089 4.350 -0.262 0.000 0.262 172 T C 1.971 176.628 174.700 -0.070 0.000 1.063 172 T CA 0.514 62.553 62.100 -0.102 0.000 1.140 172 T CB -0.345 68.469 68.868 -0.090 0.000 0.886 172 T HN 0.405 nan 8.240 nan 0.000 0.470 173 R N 2.784 123.236 120.500 -0.081 0.000 2.115 173 R HA 0.047 4.230 4.340 -0.262 0.000 0.230 173 R C 0.326 176.606 176.300 -0.033 0.000 1.111 173 R CA 1.199 57.267 56.100 -0.054 0.000 0.976 173 R CB -0.600 29.663 30.300 -0.061 0.000 0.870 173 R HN 0.651 nan 8.270 nan 0.000 0.445 174 N N -2.607 116.072 118.700 -0.035 0.000 3.261 174 N HA 0.174 4.757 4.740 -0.262 0.000 0.248 174 N C -0.447 175.061 175.510 -0.002 0.000 1.498 174 N CA -0.216 52.829 53.050 -0.008 0.000 0.884 174 N CB -0.038 38.451 38.487 0.003 0.000 1.428 174 N HN -0.108 nan 8.380 nan 0.000 0.517 175 F N -0.689 119.277 119.950 0.027 0.000 2.173 175 F HA 0.655 5.025 4.527 -0.262 0.000 0.219 175 F C 1.522 177.359 175.800 0.062 0.000 0.794 175 F CA -0.188 57.843 58.000 0.051 0.000 1.131 175 F CB -1.110 37.932 39.000 0.071 0.000 2.087 175 F HN 0.923 nan 8.300 nan 0.000 0.628 176 S N -0.247 115.509 115.700 0.093 0.000 3.711 176 S HA -0.205 4.108 4.470 -0.262 0.000 0.374 176 S C 0.095 174.770 174.600 0.124 0.000 0.969 176 S CA 0.874 59.143 58.200 0.115 0.000 1.198 176 S CB -2.191 61.073 63.200 0.107 0.000 0.903 176 S HN 0.722 nan 8.310 nan 0.000 0.493 177 N N -1.126 117.659 118.700 0.140 0.000 2.236 177 N HA 0.170 4.753 4.740 -0.262 0.000 0.196 177 N C 1.215 176.811 175.510 0.143 0.000 1.114 177 N CA -0.173 52.917 53.050 0.068 0.000 0.859 177 N CB 0.049 38.556 38.487 0.034 0.000 0.982 177 N HN 0.510 nan 8.380 nan 0.000 0.493 178 Y N 1.788 122.161 120.300 0.122 0.000 2.165 178 Y HA -0.229 4.159 4.550 -0.271 0.000 0.286 178 Y C 2.351 178.249 175.900 -0.003 0.000 1.155 178 Y CA 1.562 59.726 58.100 0.107 0.000 1.164 178 Y CB -0.003 38.467 38.460 0.017 0.000 0.978 178 Y HN 0.017 nan 8.280 nan 0.000 0.513 179 S N -0.715 115.020 115.700 0.058 0.000 2.382 179 S HA -0.202 4.111 4.470 -0.262 0.000 0.228 179 S C 2.181 176.418 174.600 -0.605 0.000 1.027 179 S CA 1.341 59.359 58.200 -0.304 0.000 0.991 179 S CB -0.597 62.332 63.200 -0.452 0.000 0.823 179 S HN 0.679 nan 8.310 nan 0.000 0.469 180 S N 0.404 115.842 115.700 -0.436 0.000 2.377 180 S HA -0.054 4.259 4.470 -0.262 0.000 0.223 180 S C 1.552 175.901 174.600 -0.417 0.000 1.030 180 S CA 0.441 58.369 58.200 -0.454 0.000 0.970 180 S CB -0.949 62.062 63.200 -0.315 0.000 0.830 180 S HN 0.689 nan 8.310 nan 0.000 0.473 181 W N 1.647 122.726 121.300 -0.369 0.000 2.338 181 W HA -0.092 4.424 4.660 -0.240 0.000 0.304 181 W C 2.753 179.026 176.519 -0.409 0.000 1.212 181 W CA 1.184 58.198 57.345 -0.553 0.000 1.264 181 W CB -0.625 28.442 29.460 -0.653 0.000 1.142 181 W HN 0.542 nan 8.180 nan 0.000 0.512 182 H N -1.548 117.405 119.070 -0.196 0.000 2.319 182 H HA -0.308 4.089 4.556 -0.264 0.000 0.299 182 H C 2.117 177.396 175.328 -0.082 0.000 1.092 182 H CA 2.282 58.221 56.048 -0.181 0.000 1.302 182 H CB -0.914 28.736 29.762 -0.188 0.000 1.373 182 H HN 0.115 nan 8.280 nan 0.000 0.497 183 Y N 1.774 121.800 120.300 -0.457 0.000 2.165 183 Y HA -0.154 4.238 4.550 -0.263 0.000 0.286 183 Y C 2.391 178.139 175.900 -0.252 0.000 1.155 183 Y CA 1.734 59.605 58.100 -0.381 0.000 1.164 183 Y CB -0.448 37.822 38.460 -0.317 0.000 0.978 183 Y HN 0.218 nan 8.280 nan 0.000 0.513 184 R N -0.373 120.040 120.500 -0.145 0.000 2.105 184 R HA -0.152 4.031 4.340 -0.262 0.000 0.239 184 R C 2.562 178.895 176.300 0.056 0.000 1.135 184 R CA 1.646 57.699 56.100 -0.078 0.000 0.967 184 R CB -0.597 29.686 30.300 -0.028 0.000 0.861 184 R HN 0.467 nan 8.270 nan 0.000 0.442 185 S N -0.155 115.547 115.700 0.004 0.000 2.419 185 S HA -0.149 4.164 4.470 -0.262 0.000 0.233 185 S C 2.069 176.568 174.600 -0.168 0.000 1.016 185 S CA 1.202 59.276 58.200 -0.209 0.000 0.974 185 S CB -0.357 62.392 63.200 -0.753 0.000 0.786 185 S HN 0.374 nan 8.310 nan 0.000 0.492 186 C N 0.586 119.775 119.300 -0.185 0.000 2.504 186 C HA 0.407 4.710 4.460 -0.262 0.000 0.279 186 C C 2.578 177.557 174.990 -0.017 0.000 1.358 186 C CA -0.174 58.792 59.018 -0.088 0.000 1.747 186 C CB -1.351 26.341 27.740 -0.079 0.000 2.037 186 C HN 0.558 nan 8.230 nan 0.000 0.503 187 L N 0.307 121.489 121.223 -0.067 0.000 2.072 187 L HA -0.066 4.117 4.340 -0.262 0.000 0.205 187 L C 2.539 179.416 176.870 0.011 0.000 1.079 187 L CA 1.215 56.002 54.840 -0.087 0.000 0.752 187 L CB -0.591 41.323 42.059 -0.242 0.000 0.906 187 L HN 0.315 nan 8.230 nan 0.000 0.436 188 L N -0.125 121.153 121.223 0.092 0.000 2.012 188 L HA -0.184 3.999 4.340 -0.262 0.000 0.210 188 L C -0.182 176.828 176.870 0.232 0.000 1.073 188 L CA 1.652 56.611 54.840 0.199 0.000 0.748 188 L CB -1.595 40.632 42.059 0.280 0.000 0.891 188 L HN 0.231 nan 8.230 nan 0.000 0.431 189 P HA -0.174 nan 4.420 nan 0.000 0.220 189 P C 1.366 178.730 177.300 0.105 0.000 1.148 189 P CA 1.209 64.409 63.100 0.166 0.000 0.803 189 P CB 0.023 31.818 31.700 0.159 0.000 0.782 190 Q N -0.625 119.210 119.800 0.058 0.000 2.123 190 Q HA -0.056 4.127 4.340 -0.262 0.000 0.199 190 Q C 2.029 178.005 176.000 -0.041 0.000 0.966 190 Q CA 0.917 56.726 55.803 0.010 0.000 0.845 190 Q CB -0.577 28.157 28.738 -0.007 0.000 0.907 190 Q HN 0.308 nan 8.270 nan 0.000 0.439 191 L N -1.121 120.049 121.223 -0.089 0.000 2.599 191 L HA 0.032 4.215 4.340 -0.262 0.000 0.230 191 L C 1.606 178.157 176.870 -0.531 0.000 1.141 191 L CA 0.717 55.398 54.840 -0.265 0.000 0.877 191 L CB -0.065 41.835 42.059 -0.265 0.000 1.009 191 L HN 0.141 nan 8.230 nan 0.000 0.447 192 H N 0.610 119.687 119.070 0.011 0.000 2.415 192 H HA 0.242 4.642 4.556 -0.261 0.000 0.297 192 H C -0.900 174.431 175.328 0.006 0.000 1.048 192 H CA 0.446 56.500 56.048 0.010 0.000 1.365 192 H CB -1.052 28.716 29.762 0.009 0.000 1.421 192 H HN 0.547 nan 8.280 nan 0.000 0.533 203 L N 2.041 123.156 121.223 -0.180 0.000 2.395 203 L HA 0.650 4.833 4.340 -0.262 0.000 0.269 203 L C -1.780 174.988 176.870 -0.170 0.000 1.133 203 L CA -2.355 52.381 54.840 -0.175 0.000 0.812 203 L CB 1.045 42.962 42.059 -0.237 0.000 1.125 203 L HN 0.390 nan 8.230 nan 0.000 0.452 204 P HA 0.032 nan 4.420 nan 0.000 0.269 204 P C 0.527 177.728 177.300 -0.165 0.000 1.209 204 P CA -0.154 62.846 63.100 -0.166 0.000 0.776 204 P CB 0.603 32.183 31.700 -0.201 0.000 0.876 205 E N 2.690 122.818 120.200 -0.120 0.000 2.110 205 E HA -0.266 3.927 4.350 -0.262 0.000 0.193 205 E C 1.587 178.129 176.600 -0.097 0.000 0.988 205 E CA 1.359 57.696 56.400 -0.105 0.000 0.804 205 E CB -0.206 29.447 29.700 -0.077 0.000 0.745 205 E HN 0.458 nan 8.360 nan 0.000 0.458 206 N N 0.607 119.252 118.700 -0.090 0.000 2.166 206 N HA -0.163 4.420 4.740 -0.262 0.000 0.186 206 N C 1.875 177.336 175.510 -0.081 0.000 1.019 206 N CA 1.751 54.759 53.050 -0.070 0.000 0.856 206 N CB -0.613 37.842 38.487 -0.053 0.000 0.993 206 N HN 0.150 nan 8.380 nan 0.000 0.426 207 V N 1.066 120.894 119.914 -0.143 0.000 2.358 207 V HA -0.147 3.816 4.120 -0.262 0.000 0.246 207 V C 2.612 178.649 176.094 -0.095 0.000 1.047 207 V CA 1.097 63.308 62.300 -0.148 0.000 1.035 207 V CB -0.725 30.888 31.823 -0.350 0.000 0.658 207 V HN 0.198 nan 8.190 nan 0.000 0.452 208 L N -0.241 120.905 121.223 -0.129 0.000 2.017 208 L HA -0.137 4.046 4.340 -0.262 0.000 0.208 208 L C 2.217 179.041 176.870 -0.076 0.000 1.073 208 L CA 1.862 56.624 54.840 -0.129 0.000 0.745 208 L CB -0.633 41.322 42.059 -0.174 0.000 0.894 208 L HN 0.200 nan 8.230 nan 0.000 0.432 209 L N -0.866 120.320 121.223 -0.062 0.000 2.042 209 L HA -0.277 3.906 4.340 -0.262 0.000 0.210 209 L C 2.562 179.428 176.870 -0.007 0.000 1.076 209 L CA 1.637 56.458 54.840 -0.032 0.000 0.749 209 L CB -0.599 41.443 42.059 -0.029 0.000 0.893 209 L HN 0.245 nan 8.230 nan 0.000 0.432 210 K N -0.506 119.892 120.400 -0.003 0.000 2.057 210 K HA -0.158 4.005 4.320 -0.262 0.000 0.207 210 K C 2.151 178.782 176.600 0.052 0.000 1.049 210 K CA 1.005 57.305 56.287 0.020 0.000 0.931 210 K CB -0.019 32.494 32.500 0.022 0.000 0.714 210 K HN 0.148 nan 8.250 nan 0.000 0.440 211 E N 0.947 121.189 120.200 0.070 0.000 2.077 211 E HA -0.139 4.054 4.350 -0.262 0.000 0.193 211 E C 2.049 178.725 176.600 0.127 0.000 0.989 211 E CA 1.000 57.493 56.400 0.156 0.000 0.800 211 E CB -0.200 29.612 29.700 0.186 0.000 0.746 211 E HN 0.279 nan 8.360 nan 0.000 0.452 212 L N 0.696 121.952 121.223 0.054 0.000 2.079 212 L HA -0.206 3.977 4.340 -0.262 0.000 0.210 212 L C 2.618 179.496 176.870 0.013 0.000 1.081 212 L CA 1.457 56.328 54.840 0.051 0.000 0.752 212 L CB -0.331 41.748 42.059 0.034 0.000 0.896 212 L HN 0.187 nan 8.230 nan 0.000 0.433 213 E N 0.361 120.569 120.200 0.013 0.000 2.072 213 E HA -0.267 3.926 4.350 -0.262 0.000 0.191 213 E C 2.256 178.840 176.600 -0.028 0.000 0.985 213 E CA 1.066 57.461 56.400 -0.007 0.000 0.801 213 E CB -0.025 29.680 29.700 0.008 0.000 0.750 213 E HN 0.284 nan 8.360 nan 0.000 0.452 214 L N 0.320 121.558 121.223 0.026 0.000 2.017 214 L HA -0.131 4.052 4.340 -0.262 0.000 0.208 214 L C 2.420 179.316 176.870 0.043 0.000 1.073 214 L CA 1.323 56.204 54.840 0.068 0.000 0.745 214 L CB -0.471 41.686 42.059 0.163 0.000 0.894 214 L HN 0.137 nan 8.230 nan 0.000 0.432 215 V N -0.485 119.406 119.914 -0.040 0.000 2.453 215 V HA -0.290 3.673 4.120 -0.262 0.000 0.247 215 V C 2.507 178.086 176.094 -0.859 0.000 1.048 215 V CA 1.999 64.092 62.300 -0.345 0.000 1.049 215 V CB -0.216 31.425 31.823 -0.303 0.000 0.672 215 V HN 0.813 nan 8.190 nan 0.000 0.457 216 Q N -0.482 118.814 119.800 -0.840 0.000 2.167 216 Q HA -0.228 3.955 4.340 -0.262 0.000 0.202 216 Q C 1.901 177.436 176.000 -0.774 0.000 0.970 216 Q CA 2.022 57.029 55.803 -1.328 0.000 0.855 216 Q CB -0.272 28.166 28.738 -0.499 0.000 0.911 216 Q HN 0.632 nan 8.270 nan 0.000 0.438 217 N N 1.166 119.667 118.700 -0.330 0.000 2.061 217 N HA -0.185 4.398 4.740 -0.262 0.000 0.193 217 N C 1.723 177.124 175.510 -0.182 0.000 1.030 217 N CA 1.812 54.781 53.050 -0.135 0.000 0.856 217 N CB -0.672 37.778 38.487 -0.062 0.000 1.023 217 N HN 0.450 nan 8.380 nan 0.000 0.424 218 A N 1.062 123.728 122.820 -0.256 0.000 1.865 218 A HA -0.143 4.020 4.320 -0.262 0.000 0.217 218 A C 1.931 179.373 177.584 -0.237 0.000 1.191 218 A CA 1.761 53.709 52.037 -0.149 0.000 0.623 218 A CB -1.092 17.919 19.000 0.018 0.000 0.826 218 A HN 0.432 nan 8.150 nan 0.000 0.444 219 F N -2.450 117.180 119.950 -0.535 0.000 2.661 219 F HA 0.232 4.643 4.527 -0.194 0.000 0.298 219 F C 1.341 176.806 175.800 -0.557 0.000 1.137 219 F CA -0.266 57.244 58.000 -0.817 0.000 1.454 219 F CB -0.932 36.966 39.000 -1.838 0.000 1.103 219 F HN 0.089 nan 8.300 nan 0.000 0.577 220 F N 1.033 120.985 119.950 0.003 0.000 2.387 220 F HA 0.057 4.432 4.527 -0.254 0.000 0.294 220 F C 2.407 178.239 175.800 0.052 0.000 1.093 220 F CA 1.047 59.098 58.000 0.085 0.000 1.420 220 F CB -1.277 37.741 39.000 0.029 0.000 1.086 220 F HN -0.048 nan 8.300 nan 0.000 0.531 221 T N -1.267 113.374 114.554 0.146 0.000 2.737 221 T HA -0.161 4.032 4.350 -0.262 0.000 0.265 221 T C 0.446 175.208 174.700 0.104 0.000 1.038 221 T CA 1.643 63.803 62.100 0.100 0.000 1.144 221 T CB -0.235 68.662 68.868 0.048 0.000 0.866 221 T HN -0.019 nan 8.240 nan 0.000 0.434 222 D N 0.437 120.892 120.400 0.092 0.000 2.363 222 D HA 0.290 4.773 4.640 -0.262 0.000 0.258 222 D C -2.348 174.043 176.300 0.151 0.000 1.259 222 D CA -2.338 51.730 54.000 0.113 0.000 0.921 222 D CB 1.445 42.299 40.800 0.089 0.000 1.201 222 D HN -0.034 nan 8.370 nan 0.000 0.524 223 P HA -0.001 nan 4.420 nan 0.000 0.230 223 P C 0.866 178.434 177.300 0.446 0.000 1.158 223 P CA 0.392 63.725 63.100 0.388 0.000 0.769 223 P CB 0.316 32.251 31.700 0.392 0.000 0.807 224 N N -0.029 118.841 118.700 0.284 0.000 2.512 224 N HA -0.089 4.494 4.740 -0.262 0.000 0.183 224 N C 0.192 175.807 175.510 0.174 0.000 1.073 224 N CA 0.928 54.129 53.050 0.252 0.000 0.911 224 N CB -0.388 38.217 38.487 0.196 0.000 0.964 224 N HN 0.296 nan 8.380 nan 0.000 0.447 225 D N 0.379 120.860 120.400 0.135 0.000 2.460 225 D HA 0.051 4.534 4.640 -0.262 0.000 0.232 225 D C 1.266 177.554 176.300 -0.019 0.000 1.079 225 D CA -0.579 53.464 54.000 0.072 0.000 0.864 225 D CB 0.668 41.509 40.800 0.068 0.000 1.048 225 D HN 0.101 nan 8.370 nan 0.000 0.523 226 Q N 2.387 122.113 119.800 -0.123 0.000 2.226 226 Q HA -0.200 3.983 4.340 -0.262 0.000 0.204 226 Q C 1.351 177.360 176.000 0.015 0.000 0.975 226 Q CA 1.489 57.032 55.803 -0.434 0.000 0.866 226 Q CB -0.286 28.151 28.738 -0.501 0.000 0.915 226 Q HN 0.459 nan 8.270 nan 0.000 0.440 227 S N 1.138 116.943 115.700 0.176 0.000 2.368 227 S HA -0.090 4.223 4.470 -0.262 0.000 0.225 227 S C 2.206 176.718 174.600 -0.147 0.000 1.030 227 S CA 0.902 59.245 58.200 0.239 0.000 0.999 227 S CB -0.482 62.924 63.200 0.343 0.000 0.844 227 S HN 0.534 nan 8.310 nan 0.000 0.459 228 A N 0.612 123.239 122.820 -0.320 0.000 1.972 228 A HA 0.052 4.215 4.320 -0.262 0.000 0.219 228 A C 1.886 179.289 177.584 -0.302 0.000 1.169 228 A CA 1.129 52.784 52.037 -0.636 0.000 0.635 228 A CB -1.202 17.480 19.000 -0.529 0.000 0.810 228 A HN 0.791 nan 8.150 nan 0.000 0.446 229 W N -1.567 119.634 121.300 -0.165 0.000 2.418 229 W HA 0.006 4.611 4.660 -0.092 0.000 0.292 229 W C 1.944 178.413 176.519 -0.084 0.000 1.213 229 W CA 0.352 57.574 57.345 -0.206 0.000 1.283 229 W CB -0.517 28.687 29.460 -0.427 0.000 1.119 229 W HN 0.326 nan 8.180 nan 0.000 0.542 230 F N -1.333 118.717 119.950 0.167 0.000 2.134 230 F HA -0.264 4.151 4.527 -0.186 0.000 0.299 230 F C 2.353 178.242 175.800 0.149 0.000 1.097 230 F CA 1.703 59.814 58.000 0.185 0.000 1.264 230 F CB -1.055 38.084 39.000 0.232 0.000 1.001 230 F HN -0.136 nan 8.300 nan 0.000 0.479 231 Y N -0.409 119.925 120.300 0.057 0.000 2.242 231 Y HA -0.260 4.130 4.550 -0.267 0.000 0.291 231 Y C 2.859 178.828 175.900 0.115 0.000 1.137 231 Y CA 1.912 60.001 58.100 -0.018 0.000 1.181 231 Y CB -0.737 37.462 38.460 -0.435 0.000 0.989 231 Y HN 0.118 nan 8.280 nan 0.000 0.527 232 H N 0.521 119.623 119.070 0.053 0.000 2.352 232 H HA -0.198 4.190 4.556 -0.280 0.000 0.299 232 H C 2.436 177.795 175.328 0.051 0.000 1.097 232 H CA 1.897 57.972 56.048 0.046 0.000 1.311 232 H CB -0.083 29.781 29.762 0.170 0.000 1.377 232 H HN 0.343 nan 8.280 nan 0.000 0.504 233 R N -0.406 120.176 120.500 0.138 0.000 2.091 233 R HA -0.194 3.989 4.340 -0.262 0.000 0.238 233 R C 2.404 178.734 176.300 0.051 0.000 1.136 233 R CA 1.892 58.043 56.100 0.084 0.000 0.959 233 R CB -0.580 29.825 30.300 0.175 0.000 0.856 233 R HN 0.382 nan 8.270 nan 0.000 0.437 234 W N 1.249 122.488 121.300 -0.102 0.000 2.333 234 W HA -0.185 4.311 4.660 -0.273 0.000 0.316 234 W C 1.580 177.958 176.519 -0.236 0.000 1.215 234 W CA 1.520 58.773 57.345 -0.153 0.000 1.278 234 W CB -0.552 28.789 29.460 -0.199 0.000 1.154 234 W HN 0.056 nan 8.180 nan 0.000 0.486 235 L N 0.058 120.997 121.223 -0.473 0.000 2.043 235 L HA -0.278 3.905 4.340 -0.262 0.000 0.212 235 L C 2.472 179.047 176.870 -0.491 0.000 1.075 235 L CA 1.062 55.521 54.840 -0.634 0.000 0.752 235 L CB -1.252 40.538 42.059 -0.449 0.000 0.891 235 L HN 0.052 nan 8.230 nan 0.000 0.432 236 L N 0.065 121.036 121.223 -0.419 0.000 2.187 236 L HA -0.131 4.052 4.340 -0.262 0.000 0.213 236 L C 2.325 179.055 176.870 -0.233 0.000 1.100 236 L CA 1.938 56.591 54.840 -0.311 0.000 0.765 236 L CB -1.232 40.663 42.059 -0.273 0.000 0.904 236 L HN 0.213 nan 8.230 nan 0.000 0.437 237 G N -2.463 106.190 108.800 -0.244 0.000 2.838 237 G HA2 0.125 3.928 3.960 -0.262 0.000 0.210 237 G HA3 0.125 3.928 3.960 -0.262 0.000 0.210 237 G C 1.291 176.030 174.900 -0.269 0.000 1.153 237 G CA 0.447 45.432 45.100 -0.191 0.000 0.778 237 G HN 0.417 nan 8.290 nan 0.000 0.539 238 A N 0.242 122.793 122.820 -0.448 0.000 2.302 238 A HA 0.619 4.782 4.320 -0.262 0.000 0.219 238 A C 1.297 178.679 177.584 -0.338 0.000 1.243 238 A CA 0.565 52.293 52.037 -0.515 0.000 0.856 238 A CB -0.133 18.277 19.000 -0.983 0.000 0.893 238 A HN 0.447 nan 8.150 nan 0.000 0.491 239 G N -0.592 108.058 108.800 -0.251 0.000 2.753 239 G HA2 0.468 4.271 3.960 -0.262 0.000 0.285 239 G HA3 0.468 4.271 3.960 -0.262 0.000 0.285 239 G C 0.242 175.064 174.900 -0.129 0.000 1.344 239 G CA 0.241 45.230 45.100 -0.185 0.000 1.050 239 G HN 0.531 nan 8.290 nan 0.000 0.532 240 S N -1.040 114.599 115.700 -0.101 0.000 2.600 240 S HA 0.414 4.727 4.470 -0.262 0.000 0.265 240 S C 1.848 176.408 174.600 -0.065 0.000 1.325 240 S CA 0.312 58.468 58.200 -0.073 0.000 1.002 240 S CB 0.820 63.983 63.200 -0.061 0.000 0.921 240 S HN 1.447 nan 8.310 nan 0.000 0.554 241 G N 1.028 109.799 108.800 -0.049 0.000 2.859 241 G HA2 -0.084 3.719 3.960 -0.262 0.000 0.236 241 G HA3 -0.084 3.719 3.960 -0.262 0.000 0.236 241 G C 0.967 175.841 174.900 -0.044 0.000 1.207 241 G CA 2.910 47.986 45.100 -0.041 0.000 0.769 241 G HN 2.191 nan 8.290 nan 0.000 0.674 242 R N -2.576 117.900 120.500 -0.040 0.000 2.496 242 R HA -0.070 4.113 4.340 -0.262 0.000 0.326 242 R C 0.155 176.440 176.300 -0.026 0.000 1.032 242 R CA 0.814 56.894 56.100 -0.035 0.000 0.827 242 R CB -2.653 27.619 30.300 -0.046 0.000 2.368 242 R HN 1.133 nan 8.270 nan 0.000 0.490 243 C N 2.964 122.253 119.300 -0.018 0.000 2.328 243 C HA 0.335 4.638 4.460 -0.262 0.000 0.446 243 C C 1.375 176.354 174.990 -0.019 0.000 1.090 243 C CA 0.277 59.285 59.018 -0.016 0.000 1.510 243 C CB -0.574 27.161 27.740 -0.010 0.000 1.543 243 C HN 0.866 nan 8.230 nan 0.000 0.533 244 E N 1.076 121.261 120.200 -0.024 0.000 2.499 244 E HA 0.171 4.364 4.350 -0.262 0.000 0.207 244 E C -0.318 176.266 176.600 -0.026 0.000 1.034 244 E CA -0.356 56.030 56.400 -0.024 0.000 1.098 244 E CB 0.145 29.829 29.700 -0.026 0.000 1.148 244 E HN 0.633 nan 8.360 nan 0.000 0.447 245 L N 3.047 124.255 121.223 -0.024 0.000 2.615 245 L HA -0.007 4.176 4.340 -0.262 0.000 0.271 245 L C 0.843 177.701 176.870 -0.019 0.000 1.183 245 L CA -0.088 54.738 54.840 -0.023 0.000 0.933 245 L CB 0.154 42.204 42.059 -0.015 0.000 1.199 245 L HN 0.325 nan 8.230 nan 0.000 0.487 246 S N 2.363 118.050 115.700 -0.022 0.000 2.580 246 S HA 0.010 4.323 4.470 -0.262 0.000 0.266 246 S C 1.228 175.821 174.600 -0.012 0.000 1.354 246 S CA -0.246 57.943 58.200 -0.018 0.000 1.008 246 S CB 1.457 64.644 63.200 -0.022 0.000 0.898 246 S HN 0.530 nan 8.310 nan 0.000 0.555 247 V N 0.534 120.443 119.914 -0.009 0.000 2.407 247 V HA -0.137 3.826 4.120 -0.262 0.000 0.248 247 V C 2.235 178.327 176.094 -0.003 0.000 1.055 247 V CA 2.377 64.674 62.300 -0.004 0.000 1.049 247 V CB -1.195 30.626 31.823 -0.003 0.000 0.662 247 V HN 1.046 nan 8.190 nan 0.000 0.455 248 E N 0.135 120.330 120.200 -0.007 0.000 2.077 248 E HA -0.284 3.909 4.350 -0.262 0.000 0.193 248 E C 2.320 178.916 176.600 -0.006 0.000 0.989 248 E CA 1.688 58.084 56.400 -0.006 0.000 0.800 248 E CB -0.187 29.507 29.700 -0.010 0.000 0.746 248 E HN 0.732 nan 8.360 nan 0.000 0.452 249 K N 0.050 120.443 120.400 -0.013 0.000 2.062 249 K HA -0.096 4.067 4.320 -0.262 0.000 0.205 249 K C 2.308 178.905 176.600 -0.006 0.000 1.051 249 K CA 1.196 57.473 56.287 -0.016 0.000 0.941 249 K CB -0.185 32.296 32.500 -0.031 0.000 0.719 249 K HN -0.011 nan 8.250 nan 0.000 0.440 250 S N -0.189 115.509 115.700 -0.002 0.000 2.365 250 S HA -0.164 4.149 4.470 -0.262 0.000 0.225 250 S C 1.738 176.349 174.600 0.018 0.000 1.039 250 S CA 2.198 60.404 58.200 0.009 0.000 1.033 250 S CB -0.474 62.733 63.200 0.011 0.000 0.887 250 S HN 0.464 nan 8.310 nan 0.000 0.447 251 T N 1.350 115.912 114.554 0.014 0.000 2.812 251 T HA 0.010 4.203 4.350 -0.262 0.000 0.264 251 T C 1.860 176.574 174.700 0.023 0.000 1.042 251 T CA 1.267 63.379 62.100 0.019 0.000 1.140 251 T CB -0.430 68.446 68.868 0.013 0.000 0.870 251 T HN 0.264 nan 8.240 nan 0.000 0.445 252 V N 1.723 121.649 119.914 0.020 0.000 2.295 252 V HA -0.126 3.837 4.120 -0.262 0.000 0.246 252 V C 2.490 178.613 176.094 0.048 0.000 1.049 252 V CA 1.514 63.832 62.300 0.031 0.000 1.024 252 V CB -0.654 31.182 31.823 0.022 0.000 0.648 252 V HN 0.443 nan 8.190 nan 0.000 0.447 253 L N -0.632 120.613 121.223 0.037 0.000 2.056 253 L HA -0.180 4.003 4.340 -0.262 0.000 0.207 253 L C 2.789 179.681 176.870 0.038 0.000 1.078 253 L CA 1.327 56.193 54.840 0.043 0.000 0.749 253 L CB -0.686 41.381 42.059 0.013 0.000 0.901 253 L HN 0.349 nan 8.230 nan 0.000 0.433 254 Q N -0.641 119.178 119.800 0.031 0.000 2.084 254 Q HA -0.204 3.979 4.340 -0.262 0.000 0.202 254 Q C 2.446 178.469 176.000 0.038 0.000 0.978 254 Q CA 1.801 57.623 55.803 0.031 0.000 0.844 254 Q CB -0.407 28.358 28.738 0.046 0.000 0.898 254 Q HN 0.391 nan 8.270 nan 0.000 0.426 255 S N 0.640 116.367 115.700 0.045 0.000 2.356 255 S HA -0.171 4.142 4.470 -0.262 0.000 0.223 255 S C 1.748 176.397 174.600 0.082 0.000 1.032 255 S CA 1.163 59.392 58.200 0.049 0.000 1.005 255 S CB 0.025 63.250 63.200 0.041 0.000 0.867 255 S HN 0.342 nan 8.310 nan 0.000 0.449 256 E N 0.271 120.544 120.200 0.122 0.000 2.085 256 E HA -0.187 4.006 4.350 -0.262 0.000 0.194 256 E C 2.085 178.791 176.600 0.178 0.000 0.994 256 E CA 1.379 57.904 56.400 0.209 0.000 0.801 256 E CB -0.346 29.494 29.700 0.234 0.000 0.743 256 E HN 0.413 nan 8.360 nan 0.000 0.453 257 L N 1.775 123.045 121.223 0.078 0.000 1.989 257 L HA -0.213 3.970 4.340 -0.262 0.000 0.211 257 L C 2.040 178.927 176.870 0.028 0.000 1.071 257 L CA 1.901 56.743 54.840 0.004 0.000 0.749 257 L CB -0.359 41.649 42.059 -0.085 0.000 0.890 257 L HN -0.029 nan 8.230 nan 0.000 0.431 258 E N -0.208 120.014 120.200 0.037 0.000 2.106 258 E HA -0.149 4.044 4.350 -0.262 0.000 0.192 258 E C 2.363 178.986 176.600 0.038 0.000 0.984 258 E CA 1.349 57.769 56.400 0.034 0.000 0.806 258 E CB -0.472 29.243 29.700 0.024 0.000 0.750 258 E HN 0.767 nan 8.360 nan 0.000 0.458 259 S N -0.042 115.689 115.700 0.052 0.000 2.402 259 S HA -0.126 4.187 4.470 -0.262 0.000 0.229 259 S C 2.378 177.091 174.600 0.187 0.000 1.021 259 S CA 1.045 59.229 58.200 -0.027 0.000 0.974 259 S CB -0.660 62.457 63.200 -0.139 0.000 0.800 259 S HN 0.223 nan 8.310 nan 0.000 0.484 260 C N 1.905 121.403 119.300 0.330 0.000 2.457 260 C HA 0.140 4.443 4.460 -0.262 0.000 0.278 260 C C 2.805 177.898 174.990 0.171 0.000 1.309 260 C CA 0.567 59.777 59.018 0.319 0.000 1.735 260 C CB -0.956 26.889 27.740 0.174 0.000 1.992 260 C HN 0.631 nan 8.230 nan 0.000 0.493 261 K N 0.940 121.402 120.400 0.103 0.000 2.097 261 K HA -0.127 4.036 4.320 -0.262 0.000 0.206 261 K C 2.333 178.990 176.600 0.094 0.000 1.049 261 K CA 1.913 58.258 56.287 0.098 0.000 0.933 261 K CB -0.247 32.302 32.500 0.082 0.000 0.717 261 K HN 0.661 nan 8.250 nan 0.000 0.442 262 E N 1.452 121.696 120.200 0.072 0.000 2.077 262 E HA -0.165 4.028 4.350 -0.262 0.000 0.193 262 E C 1.829 178.481 176.600 0.087 0.000 0.989 262 E CA 1.372 57.801 56.400 0.048 0.000 0.800 262 E CB -0.747 28.942 29.700 -0.017 0.000 0.746 262 E HN 0.201 nan 8.360 nan 0.000 0.452 263 L N 0.616 121.935 121.223 0.160 0.000 2.093 263 L HA -0.087 4.095 4.340 -0.262 0.000 0.208 263 L C 2.650 179.621 176.870 0.168 0.000 1.085 263 L CA 2.639 57.619 54.840 0.234 0.000 0.755 263 L CB -0.420 41.918 42.059 0.465 0.000 0.904 263 L HN 0.535 nan 8.230 nan 0.000 0.435 264 Q N -0.447 119.436 119.800 0.138 0.000 2.152 264 Q HA -0.265 3.918 4.340 -0.262 0.000 0.206 264 Q C 1.926 177.972 176.000 0.077 0.000 0.985 264 Q CA 2.275 58.136 55.803 0.097 0.000 0.863 264 Q CB -0.067 28.739 28.738 0.114 0.000 0.904 264 Q HN 0.697 nan 8.270 nan 0.000 0.422 265 E N 0.088 120.334 120.200 0.076 0.000 2.072 265 E HA -0.151 4.042 4.350 -0.262 0.000 0.190 265 E C 2.166 178.800 176.600 0.057 0.000 0.982 265 E CA 1.143 57.576 56.400 0.056 0.000 0.803 265 E CB -0.074 29.654 29.700 0.048 0.000 0.755 265 E HN 0.423 nan 8.360 nan 0.000 0.453 266 L N 0.670 121.937 121.223 0.073 0.000 2.093 266 L HA -0.065 4.118 4.340 -0.262 0.000 0.208 266 L C 0.859 177.777 176.870 0.080 0.000 1.085 266 L CA 0.832 55.717 54.840 0.076 0.000 0.755 266 L CB -0.126 41.989 42.059 0.093 0.000 0.904 266 L HN -0.020 nan 8.230 nan 0.000 0.435 267 E N -0.505 119.749 120.200 0.090 0.000 3.108 267 E HA 0.207 4.400 4.350 -0.262 0.000 0.228 267 E C -1.957 174.677 176.600 0.056 0.000 1.176 267 E CA -1.541 54.910 56.400 0.084 0.000 0.881 267 E CB 1.194 30.966 29.700 0.121 0.000 1.354 267 E HN 0.066 nan 8.360 nan 0.000 0.400 268 P HA -0.066 nan 4.420 nan 0.000 0.226 268 P C 0.758 178.057 177.300 -0.001 0.000 1.153 268 P CA 0.817 63.928 63.100 0.017 0.000 0.777 268 P CB 0.550 32.258 31.700 0.013 0.000 0.794 269 E N -1.267 118.935 120.200 0.004 0.000 2.463 269 E HA 0.057 4.250 4.350 -0.262 0.000 0.193 269 E C 0.254 176.833 176.600 -0.035 0.000 1.041 269 E CA -0.054 56.336 56.400 -0.016 0.000 0.879 269 E CB -0.648 29.051 29.700 -0.002 0.000 0.997 269 E HN 0.220 nan 8.360 nan 0.000 0.478 270 N N 2.004 120.689 118.700 -0.025 0.000 2.402 270 N HA -0.022 4.561 4.740 -0.262 0.000 0.252 270 N C 0.997 176.394 175.510 -0.189 0.000 1.118 270 N CA 0.107 53.128 53.050 -0.048 0.000 0.945 270 N CB 0.925 39.431 38.487 0.032 0.000 1.147 270 N HN -0.051 nan 8.380 nan 0.000 0.495 271 K N 3.646 123.838 120.400 -0.347 0.000 2.228 271 K HA 0.012 4.175 4.320 -0.262 0.000 0.202 271 K C 1.321 177.537 176.600 -0.639 0.000 1.051 271 K CA 0.932 56.926 56.287 -0.488 0.000 0.960 271 K CB -0.224 31.929 32.500 -0.578 0.000 0.743 271 K HN 0.453 nan 8.250 nan 0.000 0.458 272 W N 0.621 121.540 121.300 -0.634 0.000 2.363 272 W HA -0.098 4.386 4.660 -0.294 0.000 0.296 272 W C 2.455 178.169 176.519 -1.342 0.000 1.212 272 W CA 0.608 57.273 57.345 -1.133 0.000 1.260 272 W CB -0.961 27.326 29.460 -1.956 0.000 1.131 272 W HN 0.298 nan 8.180 nan 0.000 0.530 273 C N 0.514 119.251 119.300 -0.939 0.000 2.446 273 C HA -0.125 4.178 4.460 -0.262 0.000 0.277 273 C C 2.559 177.337 174.990 -0.355 0.000 1.275 273 C CA 1.013 59.641 59.018 -0.650 0.000 1.727 273 C CB -1.319 26.275 27.740 -0.243 0.000 2.010 273 C HN 0.333 nan 8.230 nan 0.000 0.486 274 L N 0.381 121.437 121.223 -0.278 0.000 2.017 274 L HA -0.102 4.081 4.340 -0.262 0.000 0.208 274 L C 2.575 179.303 176.870 -0.236 0.000 1.073 274 L CA 1.248 55.993 54.840 -0.159 0.000 0.745 274 L CB -0.917 41.096 42.059 -0.078 0.000 0.894 274 L HN 0.351 nan 8.230 nan 0.000 0.432 275 L N -0.365 120.694 121.223 -0.274 0.000 2.042 275 L HA -0.184 3.999 4.340 -0.262 0.000 0.210 275 L C 2.426 179.185 176.870 -0.185 0.000 1.076 275 L CA 2.066 56.770 54.840 -0.225 0.000 0.749 275 L CB -0.756 41.186 42.059 -0.195 0.000 0.893 275 L HN 0.155 nan 8.230 nan 0.000 0.432 276 T N -0.250 114.177 114.554 -0.211 0.000 2.821 276 T HA -0.109 4.084 4.350 -0.262 0.000 0.267 276 T C 1.984 176.607 174.700 -0.128 0.000 1.046 276 T CA 1.702 63.746 62.100 -0.094 0.000 1.139 276 T CB -0.318 68.510 68.868 -0.066 0.000 0.871 276 T HN 0.312 nan 8.240 nan 0.000 0.454 277 I N 0.751 121.173 120.570 -0.248 0.000 2.151 277 I HA -0.197 3.816 4.170 -0.262 0.000 0.243 277 I C 2.221 178.093 176.117 -0.409 0.000 1.080 277 I CA 1.442 62.510 61.300 -0.385 0.000 1.339 277 I CB -0.395 37.200 38.000 -0.676 0.000 1.039 277 I HN 0.227 nan 8.210 nan 0.000 0.409 278 I N 0.277 120.619 120.570 -0.379 0.000 2.163 278 I HA -0.321 3.692 4.170 -0.262 0.000 0.243 278 I C 2.406 178.414 176.117 -0.181 0.000 1.085 278 I CA 1.563 62.685 61.300 -0.297 0.000 1.347 278 I CB -0.329 37.454 38.000 -0.362 0.000 1.044 278 I HN 0.202 nan 8.210 nan 0.000 0.408 279 L N -0.047 121.113 121.223 -0.105 0.000 2.093 279 L HA -0.203 3.980 4.340 -0.262 0.000 0.208 279 L C 2.503 179.312 176.870 -0.102 0.000 1.085 279 L CA 1.145 55.953 54.840 -0.055 0.000 0.755 279 L CB -0.499 41.579 42.059 0.031 0.000 0.904 279 L HN 0.273 nan 8.230 nan 0.000 0.435 280 L N -0.969 120.190 121.223 -0.106 0.000 2.056 280 L HA -0.215 3.968 4.340 -0.262 0.000 0.207 280 L C 2.692 179.441 176.870 -0.203 0.000 1.078 280 L CA 1.334 56.106 54.840 -0.114 0.000 0.749 280 L CB -0.338 41.669 42.059 -0.087 0.000 0.901 280 L HN 0.272 nan 8.230 nan 0.000 0.433 281 M N -1.176 118.237 119.600 -0.311 0.000 2.108 281 M HA -0.195 4.128 4.480 -0.262 0.000 0.261 281 M C 2.442 178.642 176.300 -0.167 0.000 1.066 281 M CA 1.473 56.532 55.300 -0.402 0.000 1.107 281 M CB -0.427 31.895 32.600 -0.463 0.000 1.356 281 M HN 0.153 nan 8.290 nan 0.000 0.406 282 R N 0.274 120.654 120.500 -0.200 0.000 2.091 282 R HA -0.102 4.081 4.340 -0.262 0.000 0.238 282 R C 2.212 178.422 176.300 -0.149 0.000 1.136 282 R CA 1.809 57.767 56.100 -0.236 0.000 0.959 282 R CB -0.934 29.113 30.300 -0.422 0.000 0.856 282 R HN 0.425 nan 8.270 nan 0.000 0.437 283 A N 0.494 123.238 122.820 -0.126 0.000 2.015 283 A HA -0.049 4.114 4.320 -0.262 0.000 0.219 283 A C 2.289 179.846 177.584 -0.046 0.000 1.163 283 A CA 0.897 52.882 52.037 -0.087 0.000 0.646 283 A CB -0.236 18.712 19.000 -0.087 0.000 0.806 283 A HN 0.172 nan 8.150 nan 0.000 0.448 284 L N -1.713 119.496 121.223 -0.024 0.000 2.130 284 L HA 0.131 4.314 4.340 -0.262 0.000 0.200 284 L C 0.203 177.135 176.870 0.103 0.000 1.075 284 L CA 0.860 55.730 54.840 0.050 0.000 0.768 284 L CB 0.314 42.422 42.059 0.081 0.000 0.933 284 L HN 0.306 nan 8.230 nan 0.000 0.451 285 D N -2.197 118.297 120.400 0.158 0.000 2.484 285 D HA 0.068 4.551 4.640 -0.262 0.000 0.223 285 D C -2.201 174.191 176.300 0.154 0.000 1.350 285 D CA -0.784 53.298 54.000 0.136 0.000 0.940 285 D CB 0.974 41.836 40.800 0.103 0.000 1.525 285 D HN -0.224 nan 8.370 nan 0.000 0.504 286 P HA -0.109 nan 4.420 nan 0.000 0.216 286 P C 1.839 179.177 177.300 0.062 0.000 1.157 286 P CA 0.965 64.086 63.100 0.034 0.000 0.880 286 P CB 0.451 32.137 31.700 -0.022 0.000 0.791 287 L N -2.035 119.215 121.223 0.045 0.000 2.095 287 L HA -0.077 4.106 4.340 -0.262 0.000 0.204 287 L C 2.408 179.278 176.870 -0.001 0.000 1.080 287 L CA 0.655 55.512 54.840 0.028 0.000 0.759 287 L CB -0.951 41.132 42.059 0.040 0.000 0.914 287 L HN -0.034 nan 8.230 nan 0.000 0.439 288 L N -0.783 120.410 121.223 -0.050 0.000 2.131 288 L HA -0.207 3.976 4.340 -0.262 0.000 0.210 288 L C 1.619 178.327 176.870 -0.271 0.000 1.092 288 L CA 1.869 56.594 54.840 -0.192 0.000 0.759 288 L CB -0.434 41.436 42.059 -0.315 0.000 0.903 288 L HN 0.149 nan 8.230 nan 0.000 0.435 289 Y N -0.810 119.498 120.300 0.014 0.000 2.532 289 Y HA 0.146 4.548 4.550 -0.246 0.000 0.283 289 Y C 2.045 177.967 175.900 0.038 0.000 1.181 289 Y CA 0.098 58.210 58.100 0.019 0.000 1.256 289 Y CB -0.348 38.109 38.460 -0.003 0.000 1.112 289 Y HN 0.334 nan 8.280 nan 0.000 0.521 290 E N 1.301 121.580 120.200 0.132 0.000 2.058 290 E HA -0.291 3.902 4.350 -0.262 0.000 0.194 290 E C 2.307 178.988 176.600 0.135 0.000 0.997 290 E CA 1.750 58.222 56.400 0.120 0.000 0.801 290 E CB 0.085 29.825 29.700 0.067 0.000 0.746 290 E HN 0.424 nan 8.360 nan 0.000 0.450 291 K N 0.290 120.755 120.400 0.109 0.000 2.032 291 K HA -0.248 3.915 4.320 -0.262 0.000 0.209 291 K C 1.890 178.577 176.600 0.145 0.000 1.048 291 K CA 1.984 58.333 56.287 0.104 0.000 0.927 291 K CB -0.030 32.513 32.500 0.072 0.000 0.712 291 K HN 0.038 nan 8.250 nan 0.000 0.441 292 E N 0.016 120.333 120.200 0.196 0.000 2.106 292 E HA -0.091 4.102 4.350 -0.262 0.000 0.192 292 E C 1.972 178.750 176.600 0.296 0.000 0.984 292 E CA 1.705 58.261 56.400 0.260 0.000 0.806 292 E CB -0.280 29.613 29.700 0.321 0.000 0.750 292 E HN 0.321 nan 8.360 nan 0.000 0.458 293 T N 1.071 115.764 114.554 0.232 0.000 2.684 293 T HA -0.152 4.041 4.350 -0.262 0.000 0.267 293 T C 1.810 176.694 174.700 0.306 0.000 1.036 293 T CA 1.046 63.271 62.100 0.208 0.000 1.148 293 T CB -0.287 68.712 68.868 0.218 0.000 0.863 293 T HN 0.081 nan 8.240 nan 0.000 0.436 294 L N 0.524 121.919 121.223 0.287 0.000 2.046 294 L HA -0.142 4.041 4.340 -0.262 0.000 0.208 294 L C 2.899 179.892 176.870 0.206 0.000 1.077 294 L CA 1.380 56.386 54.840 0.277 0.000 0.747 294 L CB -0.575 41.581 42.059 0.161 0.000 0.896 294 L HN 0.330 nan 8.230 nan 0.000 0.432 295 Q N -1.029 118.851 119.800 0.134 0.000 2.084 295 Q HA -0.226 3.957 4.340 -0.262 0.000 0.202 295 Q C 2.131 178.100 176.000 -0.052 0.000 0.978 295 Q CA 1.838 57.651 55.803 0.017 0.000 0.844 295 Q CB -0.202 28.512 28.738 -0.040 0.000 0.898 295 Q HN 0.456 nan 8.270 nan 0.000 0.426 296 Y N -1.014 119.286 120.300 -0.000 0.000 2.242 296 Y HA -0.203 4.188 4.550 -0.265 0.000 0.291 296 Y C 1.814 177.654 175.900 -0.099 0.000 1.137 296 Y CA 0.964 59.013 58.100 -0.085 0.000 1.181 296 Y CB -0.033 38.329 38.460 -0.163 0.000 0.989 296 Y HN 0.086 nan 8.280 nan 0.000 0.527 297 F N -0.597 119.419 119.950 0.110 0.000 2.171 297 F HA -0.260 4.147 4.527 -0.200 0.000 0.300 297 F C 2.533 178.326 175.800 -0.012 0.000 1.090 297 F CA 1.630 59.650 58.000 0.033 0.000 1.293 297 F CB -0.843 38.166 39.000 0.014 0.000 1.013 297 F HN -0.133 nan 8.300 nan 0.000 0.486 298 S N -0.792 115.004 115.700 0.160 0.000 2.356 298 S HA -0.174 4.139 4.470 -0.262 0.000 0.223 298 S C 2.120 176.723 174.600 0.005 0.000 1.032 298 S CA 1.826 60.060 58.200 0.056 0.000 1.005 298 S CB -0.606 62.606 63.200 0.019 0.000 0.867 298 S HN 0.382 nan 8.310 nan 0.000 0.449 299 T N 2.915 117.444 114.554 -0.041 0.000 2.708 299 T HA -0.015 4.178 4.350 -0.262 0.000 0.266 299 T C 1.756 176.429 174.700 -0.044 0.000 1.037 299 T CA 0.900 62.955 62.100 -0.076 0.000 1.146 299 T CB -0.484 68.284 68.868 -0.167 0.000 0.865 299 T HN 0.200 nan 8.240 nan 0.000 0.435 300 L N 0.647 121.858 121.223 -0.021 0.000 2.046 300 L HA -0.142 4.041 4.340 -0.262 0.000 0.208 300 L C 2.535 179.389 176.870 -0.027 0.000 1.077 300 L CA 1.705 56.523 54.840 -0.037 0.000 0.747 300 L CB -0.327 41.705 42.059 -0.045 0.000 0.896 300 L HN 0.281 nan 8.230 nan 0.000 0.432 301 K N -0.467 119.944 120.400 0.017 0.000 2.147 301 K HA -0.152 4.011 4.320 -0.262 0.000 0.205 301 K C 1.986 178.575 176.600 -0.018 0.000 1.049 301 K CA 1.257 57.549 56.287 0.008 0.000 0.936 301 K CB -0.127 32.389 32.500 0.025 0.000 0.722 301 K HN 0.387 nan 8.250 nan 0.000 0.446 302 A N 0.770 123.576 122.820 -0.023 0.000 1.968 302 A HA -0.060 4.103 4.320 -0.262 0.000 0.217 302 A C 2.241 179.801 177.584 -0.041 0.000 1.169 302 A CA 0.970 52.989 52.037 -0.030 0.000 0.638 302 A CB -0.197 18.785 19.000 -0.031 0.000 0.812 302 A HN 0.058 nan 8.150 nan 0.000 0.446 303 V N -0.204 119.677 119.914 -0.054 0.000 2.649 303 V HA -0.042 3.921 4.120 -0.262 0.000 0.248 303 V C 0.766 176.806 176.094 -0.090 0.000 1.054 303 V CA 1.862 64.119 62.300 -0.071 0.000 1.073 303 V CB -0.241 31.530 31.823 -0.087 0.000 0.699 303 V HN 0.568 nan 8.190 nan 0.000 0.463 304 D N -0.787 119.556 120.400 -0.095 0.000 2.739 304 D HA 0.216 4.699 4.640 -0.262 0.000 0.335 304 D C -1.570 174.691 176.300 -0.065 0.000 1.216 304 D CA -1.711 52.222 54.000 -0.111 0.000 0.808 304 D CB 1.034 41.724 40.800 -0.185 0.000 1.121 304 D HN 0.166 nan 8.370 nan 0.000 0.499 305 P HA -0.153 nan 4.420 nan 0.000 0.219 305 P C 1.704 178.992 177.300 -0.021 0.000 1.146 305 P CA 0.715 63.799 63.100 -0.027 0.000 0.808 305 P CB 0.212 31.898 31.700 -0.024 0.000 0.779 306 M N -1.310 118.274 119.600 -0.027 0.000 2.279 306 M HA -0.116 4.207 4.480 -0.262 0.000 0.264 306 M C 1.607 177.902 176.300 -0.007 0.000 1.062 306 M CA 1.468 56.757 55.300 -0.018 0.000 1.099 306 M CB -0.309 32.277 32.600 -0.024 0.000 1.394 306 M HN -0.200 nan 8.290 nan 0.000 0.426 307 R N -0.179 120.317 120.500 -0.008 0.000 2.426 307 R HA 0.255 4.438 4.340 -0.262 0.000 0.263 307 R C 1.646 177.991 176.300 0.075 0.000 0.961 307 R CA 0.217 56.343 56.100 0.044 0.000 1.086 307 R CB -0.653 29.666 30.300 0.032 0.000 1.186 307 R HN 0.261 nan 8.270 nan 0.000 0.537 308 A N 0.310 123.147 122.820 0.027 0.000 1.940 308 A HA -0.168 3.995 4.320 -0.262 0.000 0.219 308 A C 2.185 179.766 177.584 -0.005 0.000 1.176 308 A CA 1.895 53.937 52.037 0.009 0.000 0.631 308 A CB -0.558 18.437 19.000 -0.008 0.000 0.814 308 A HN 0.362 nan 8.150 nan 0.000 0.446 309 A N -1.570 121.258 122.820 0.014 0.000 1.897 309 A HA -0.026 4.136 4.320 -0.262 0.000 0.215 309 A C 2.125 179.708 177.584 -0.001 0.000 1.181 309 A CA 1.556 53.591 52.037 -0.004 0.000 0.620 309 A CB -0.795 18.212 19.000 0.011 0.000 0.821 309 A HN 0.760 nan 8.150 nan 0.000 0.443 310 Y N 0.751 121.023 120.300 -0.048 0.000 2.128 310 Y HA -0.185 4.180 4.550 -0.308 0.000 0.284 310 Y C 1.849 177.710 175.900 -0.066 0.000 1.154 310 Y CA 1.930 60.001 58.100 -0.048 0.000 1.149 310 Y CB -0.425 38.017 38.460 -0.030 0.000 0.976 310 Y HN 0.204 nan 8.280 nan 0.000 0.505 311 L N -0.198 120.886 121.223 -0.231 0.000 2.093 311 L HA -0.183 4.000 4.340 -0.262 0.000 0.208 311 L C 2.107 178.739 176.870 -0.397 0.000 1.085 311 L CA 1.401 56.087 54.840 -0.256 0.000 0.755 311 L CB -0.591 41.503 42.059 0.059 0.000 0.904 311 L HN 0.144 nan 8.230 nan 0.000 0.435 312 D N 0.002 120.222 120.400 -0.300 0.000 2.117 312 D HA -0.176 4.307 4.640 -0.262 0.000 0.197 312 D C 1.810 177.886 176.300 -0.372 0.000 0.987 312 D CA 1.134 54.936 54.000 -0.330 0.000 0.829 312 D CB -0.148 40.536 40.800 -0.194 0.000 0.961 312 D HN 0.228 nan 8.370 nan 0.000 0.460 313 D N -0.131 120.072 120.400 -0.327 0.000 2.144 313 D HA -0.107 4.376 4.640 -0.262 0.000 0.199 313 D C 2.093 178.134 176.300 -0.431 0.000 0.984 313 D CA 0.251 54.069 54.000 -0.302 0.000 0.834 313 D CB -0.224 40.457 40.800 -0.199 0.000 0.955 313 D HN 0.121 nan 8.370 nan 0.000 0.465 314 L N 0.889 121.729 121.223 -0.637 0.000 2.027 314 L HA -0.085 4.098 4.340 -0.262 0.000 0.206 314 L C 2.317 178.636 176.870 -0.918 0.000 1.074 314 L CA 1.556 55.914 54.840 -0.803 0.000 0.745 314 L CB -0.341 41.216 42.059 -0.836 0.000 0.898 314 L HN -0.139 nan 8.230 nan 0.000 0.433 315 R N -1.167 118.749 120.500 -0.974 0.000 2.083 315 R HA -0.157 4.026 4.340 -0.262 0.000 0.237 315 R C 2.258 178.289 176.300 -0.448 0.000 1.137 315 R CA 1.770 57.267 56.100 -1.004 0.000 0.951 315 R CB -0.278 29.188 30.300 -1.390 0.000 0.851 315 R HN 0.399 nan 8.270 nan 0.000 0.434 316 S N 0.704 116.178 115.700 -0.377 0.000 2.370 316 S HA -0.188 4.125 4.470 -0.262 0.000 0.226 316 S C 1.717 176.239 174.600 -0.129 0.000 1.033 316 S CA 1.612 59.688 58.200 -0.208 0.000 1.011 316 S CB -0.225 62.867 63.200 -0.181 0.000 0.852 316 S HN 0.391 nan 8.310 nan 0.000 0.457 317 K N 0.238 120.535 120.400 -0.172 0.000 2.026 317 K HA -0.114 4.049 4.320 -0.262 0.000 0.208 317 K C 1.686 178.363 176.600 0.128 0.000 1.048 317 K CA 1.407 57.661 56.287 -0.055 0.000 0.929 317 K CB -0.270 32.161 32.500 -0.115 0.000 0.713 317 K HN 0.225 nan 8.250 nan 0.000 0.439 318 F N 1.601 121.537 119.950 -0.024 0.000 2.171 318 F HA -0.116 4.235 4.527 -0.294 0.000 0.300 318 F C 2.118 177.923 175.800 0.008 0.000 1.090 318 F CA 0.795 58.808 58.000 0.022 0.000 1.293 318 F CB -0.830 38.227 39.000 0.094 0.000 1.013 318 F HN 0.023 nan 8.300 nan 0.000 0.486 319 L N -1.207 120.111 121.223 0.158 0.000 2.093 319 L HA -0.206 3.977 4.340 -0.262 0.000 0.208 319 L C 2.423 179.321 176.870 0.047 0.000 1.085 319 L CA 0.485 55.369 54.840 0.073 0.000 0.755 319 L CB -0.617 41.447 42.059 0.009 0.000 0.904 319 L HN 0.093 nan 8.230 nan 0.000 0.435 320 L N -0.025 121.223 121.223 0.041 0.000 2.046 320 L HA -0.197 3.986 4.340 -0.262 0.000 0.208 320 L C 2.457 179.354 176.870 0.044 0.000 1.077 320 L CA 1.713 56.571 54.840 0.029 0.000 0.747 320 L CB -0.488 41.582 42.059 0.020 0.000 0.896 320 L HN 0.210 nan 8.230 nan 0.000 0.432 321 E N -0.846 119.400 120.200 0.078 0.000 2.058 321 E HA -0.248 3.945 4.350 -0.262 0.000 0.194 321 E C 1.882 178.509 176.600 0.045 0.000 0.997 321 E CA 1.385 57.826 56.400 0.070 0.000 0.801 321 E CB -0.148 29.609 29.700 0.095 0.000 0.746 321 E HN 0.485 nan 8.360 nan 0.000 0.450 322 N N 0.274 119.003 118.700 0.048 0.000 2.120 322 N HA -0.106 4.477 4.740 -0.262 0.000 0.188 322 N C 1.855 177.363 175.510 -0.004 0.000 1.024 322 N CA 1.101 54.165 53.050 0.023 0.000 0.852 322 N CB -0.383 38.123 38.487 0.031 0.000 1.003 322 N HN -0.034 nan 8.380 nan 0.000 0.424 323 S N 0.088 115.787 115.700 -0.003 0.000 2.370 323 S HA -0.072 4.241 4.470 -0.262 0.000 0.226 323 S C 2.185 176.777 174.600 -0.013 0.000 1.033 323 S CA 0.805 58.993 58.200 -0.020 0.000 1.011 323 S CB -0.300 62.893 63.200 -0.012 0.000 0.852 323 S HN 0.102 nan 8.310 nan 0.000 0.457 324 V N 2.096 122.014 119.914 0.008 0.000 2.295 324 V HA -0.151 3.812 4.120 -0.262 0.000 0.246 324 V C 2.191 178.304 176.094 0.032 0.000 1.049 324 V CA 1.491 63.803 62.300 0.019 0.000 1.024 324 V CB -0.749 31.090 31.823 0.026 0.000 0.648 324 V HN 0.413 nan 8.190 nan 0.000 0.447 325 L N -0.457 120.787 121.223 0.036 0.000 2.012 325 L HA -0.237 3.946 4.340 -0.262 0.000 0.210 325 L C 2.623 179.545 176.870 0.086 0.000 1.073 325 L CA 1.854 56.739 54.840 0.075 0.000 0.748 325 L CB -0.652 41.448 42.059 0.069 0.000 0.891 325 L HN 0.290 nan 8.230 nan 0.000 0.431 326 K N -0.326 120.031 120.400 -0.072 0.000 2.097 326 K HA -0.170 3.993 4.320 -0.262 0.000 0.206 326 K C 2.338 178.844 176.600 -0.157 0.000 1.049 326 K CA 1.925 58.016 56.287 -0.327 0.000 0.933 326 K CB -0.301 32.011 32.500 -0.313 0.000 0.717 326 K HN 0.347 nan 8.250 nan 0.000 0.442 327 M N 0.994 120.574 119.600 -0.033 0.000 2.476 327 M HA -0.009 4.314 4.480 -0.262 0.000 0.262 327 M C 2.103 178.453 176.300 0.083 0.000 1.079 327 M CA 2.368 57.678 55.300 0.018 0.000 1.104 327 M CB -1.699 30.906 32.600 0.008 0.000 1.409 327 M HN 0.394 nan 8.290 nan 0.000 0.467 328 E N -1.138 119.140 120.200 0.130 0.000 2.418 328 E HA -0.007 4.185 4.350 -0.262 0.000 0.197 328 E C 0.512 177.235 176.600 0.204 0.000 1.026 328 E CA 0.110 56.595 56.400 0.143 0.000 0.862 328 E CB -1.159 28.614 29.700 0.121 0.000 0.799 328 E HN 0.886 nan 8.360 nan 0.000 0.518 329 Y N 0.586 120.885 120.300 -0.003 0.000 2.730 329 Y HA 0.376 4.769 4.550 -0.263 0.000 0.354 329 Y C 1.192 177.090 175.900 -0.003 0.000 1.139 329 Y CA -0.586 57.511 58.100 -0.004 0.000 1.516 329 Y CB 0.301 38.758 38.460 -0.004 0.000 1.204 329 Y HN 0.410 nan 8.280 nan 0.000 0.520 330 A N 0.000 122.871 122.820 0.085 0.000 2.254 330 A HA 0.000 4.163 4.320 -0.262 0.000 0.244 330 A CA 0.000 52.068 52.037 0.052 0.000 0.836 330 A CB 0.000 19.013 19.000 0.021 0.000 0.831 330 A HN 0.000 nan 8.150 nan 0.000 0.486