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 3a17_1_F DATA FIRST_RESID -8 DATA SEQUENCE SGLVPRGSHM ESAIGEHLQC PRTLTRRVPD TYTPPFPMWV GRADDALQQV DATA SEQUENCE VMGYLGVQFR DEDQRPAALQ AMRDIVAGFD LPDGPAHHDL THHIDNQGYE DATA SEQUENCE NLIVVGYWKD VSSQHRWSTS TPIASWWESE DRLSDGLGFF REIVAPRAEQ DATA SEQUENCE FETLYAFQED LPGVGAVMDG ISGEINEHGY WGSMRERFPI SQTDWMQASG DATA SEQUENCE ELRVIAGDPA VGGRVVVRGH DNIALIRSGQ DWADAEADER SLYLDEILPT DATA SEQUENCE LQSGMDFLRD NGPAVGCYSN RFVRNIDIDG NFLDLSYNIG HWASLDQLER DATA SEQUENCE WSESHPTHLR IFTTFFRVAA GLSKLRLYHE VSVFDAADQL YEYINCHPGT DATA SEQUENCE GMLRDAVTI 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 -8 S HA 0.000 nan 4.470 nan 0.000 0.327 -8 S C 0.000 174.568 174.600 -0.053 0.000 1.055 -8 S CA 0.000 58.173 58.200 -0.046 0.000 1.107 -8 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 -7 G N 1.071 109.817 108.800 -0.090 0.000 2.630 -7 G HA2 0.293 4.253 3.960 -0.000 0.000 0.236 -7 G HA3 0.293 4.253 3.960 -0.000 0.000 0.236 -7 G C 0.988 175.867 174.900 -0.035 0.000 1.248 -7 G CA -0.244 44.813 45.100 -0.071 0.000 0.844 -7 G HN 0.668 nan 8.290 nan 0.000 0.588 -6 L N 1.518 122.726 121.223 -0.024 0.000 2.046 -6 L HA 0.040 4.379 4.340 -0.000 0.000 0.208 -6 L C 1.296 178.167 176.870 0.002 0.000 1.077 -6 L CA 1.502 56.337 54.840 -0.008 0.000 0.747 -6 L CB 0.036 42.092 42.059 -0.006 0.000 0.896 -6 L HN 0.237 nan 8.230 nan 0.000 0.432 -5 V N 1.329 121.241 119.914 -0.004 0.000 2.284 -5 V HA 0.357 4.477 4.120 -0.000 0.000 0.274 -5 V C -2.157 173.936 176.094 -0.002 0.000 1.023 -5 V CA -1.581 60.723 62.300 0.007 0.000 0.808 -5 V CB 0.233 32.060 31.823 0.007 0.000 1.035 -5 V HN 0.178 nan 8.190 nan 0.000 0.445 -4 P HA 0.456 nan 4.420 nan 0.000 0.268 -4 P C -0.289 177.032 177.300 0.034 0.000 1.204 -4 P CA -0.218 62.897 63.100 0.026 0.000 0.768 -4 P CB 0.861 32.599 31.700 0.062 0.000 0.842 -3 R N 0.942 121.474 120.500 0.054 0.000 2.888 -3 R HA 0.679 5.019 4.340 -0.000 0.000 0.264 -3 R C 0.938 177.287 176.300 0.081 0.000 1.045 -3 R CA 0.378 56.499 56.100 0.035 0.000 0.962 -3 R CB 1.054 31.354 30.300 -0.001 0.000 1.210 -3 R HN 0.631 nan 8.270 nan 0.000 0.479 -2 G N 0.396 109.206 108.800 0.015 0.000 2.660 -2 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.321 -2 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.321 -2 G C 0.758 175.664 174.900 0.010 0.000 1.246 -2 G CA 1.122 46.230 45.100 0.012 0.000 1.000 -2 G HN 0.909 nan 8.290 nan 0.000 0.550 -1 S N -0.486 115.187 115.700 -0.044 0.000 2.522 -1 S HA 0.074 4.544 4.470 -0.000 0.000 0.227 -1 S C 1.680 176.160 174.600 -0.201 0.000 0.986 -1 S CA 1.645 59.764 58.200 -0.134 0.000 0.929 -1 S CB -0.220 62.859 63.200 -0.201 0.000 0.769 -1 S HN 0.771 nan 8.310 nan 0.000 0.529 0 H N 0.214 119.282 119.070 -0.003 0.000 2.548 0 H HA 0.391 4.947 4.556 -0.000 0.000 0.268 0 H C 0.800 176.130 175.328 0.003 0.000 0.975 0 H CA 0.358 56.406 56.048 -0.000 0.000 1.195 0 H CB -0.098 29.663 29.762 -0.003 0.000 1.397 0 H HN 0.377 nan 8.280 nan 0.000 0.572 1 M N 1.472 121.126 119.600 0.091 0.000 2.248 1 M HA 0.003 4.483 4.480 -0.000 0.000 0.337 1 M C 0.004 176.329 176.300 0.042 0.000 1.121 1 M CA 0.082 55.417 55.300 0.058 0.000 1.155 1 M CB 0.722 33.343 32.600 0.034 0.000 1.514 1 M HN 0.201 nan 8.290 nan 0.000 0.452 2 E N 1.549 121.776 120.200 0.044 0.000 2.437 2 E HA 0.010 4.360 4.350 -0.000 0.000 0.263 2 E C -0.735 175.881 176.600 0.026 0.000 1.030 2 E CA 0.005 56.429 56.400 0.038 0.000 0.934 2 E CB 0.752 30.484 29.700 0.054 0.000 0.943 2 E HN 0.573 nan 8.360 nan 0.000 0.444 3 S N 1.129 116.837 115.700 0.014 0.000 2.585 3 S HA 0.350 4.820 4.470 -0.000 0.000 0.277 3 S C 0.914 175.511 174.600 -0.006 0.000 1.241 3 S CA -0.018 58.183 58.200 0.001 0.000 1.041 3 S CB 1.407 64.598 63.200 -0.015 0.000 0.987 3 S HN 0.579 nan 8.310 nan 0.000 0.512 4 A N 4.514 127.323 122.820 -0.018 0.000 1.933 4 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 4 A C 0.857 178.399 177.584 -0.070 0.000 1.175 4 A CA 0.965 52.978 52.037 -0.040 0.000 0.628 4 A CB -0.795 18.169 19.000 -0.059 0.000 0.814 4 A HN 0.822 nan 8.150 nan 0.000 0.444 5 I N 1.188 121.712 120.570 -0.076 0.000 2.517 5 I HA 0.221 4.391 4.170 -0.000 0.000 0.285 5 I C 1.234 177.286 176.117 -0.108 0.000 1.106 5 I CA -0.346 60.887 61.300 -0.110 0.000 1.402 5 I CB 0.459 38.399 38.000 -0.101 0.000 1.399 5 I HN 0.252 nan 8.210 nan 0.000 0.535 6 G N 4.377 113.086 108.800 -0.153 0.000 2.474 6 G HA2 -0.083 3.876 3.960 -0.000 0.000 0.233 6 G HA3 -0.083 3.876 3.960 -0.000 0.000 0.233 6 G C 0.744 175.541 174.900 -0.172 0.000 1.278 6 G CA -0.228 44.784 45.100 -0.147 0.000 0.861 6 G HN 0.874 nan 8.290 nan 0.000 0.567 7 E N 0.540 120.721 120.200 -0.031 0.000 2.038 7 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 7 E C 2.056 178.652 176.600 -0.007 0.000 1.000 7 E CA 1.947 58.351 56.400 0.006 0.000 0.803 7 E CB -0.107 29.634 29.700 0.069 0.000 0.750 7 E HN 0.894 nan 8.360 nan 0.000 0.448 8 H N -1.266 117.800 119.070 -0.006 0.000 2.545 8 H HA 0.030 4.586 4.556 -0.000 0.000 0.282 8 H C 1.525 176.849 175.328 -0.007 0.000 1.020 8 H CA 0.819 56.864 56.048 -0.003 0.000 1.243 8 H CB -0.056 29.707 29.762 0.002 0.000 1.377 8 H HN 0.180 nan 8.280 nan 0.000 0.581 9 L N 0.167 121.117 121.223 -0.456 0.000 2.640 9 L HA 0.162 4.502 4.340 -0.000 0.000 0.230 9 L C 0.362 177.133 176.870 -0.164 0.000 1.123 9 L CA -0.101 54.546 54.840 -0.322 0.000 0.900 9 L CB 0.180 41.984 42.059 -0.425 0.000 1.146 9 L HN 0.271 nan 8.230 nan 0.000 0.484 10 Q N 0.365 120.090 119.800 -0.125 0.000 2.327 10 Q HA 0.333 4.673 4.340 -0.000 0.000 0.254 10 Q C -0.376 175.593 176.000 -0.052 0.000 0.952 10 Q CA -0.154 55.602 55.803 -0.078 0.000 0.884 10 Q CB 1.732 30.434 28.738 -0.059 0.000 1.224 10 Q HN 0.407 nan 8.270 nan 0.000 0.422 11 C N -0.329 118.942 119.300 -0.047 0.000 3.340 11 C HA 0.719 5.179 4.460 -0.000 0.000 0.333 11 C C -2.749 172.219 174.990 -0.036 0.000 1.464 11 C CA -2.194 56.803 59.018 -0.035 0.000 1.337 11 C CB 0.237 27.957 27.740 -0.033 0.000 1.740 11 C HN 0.594 nan 8.230 nan 0.000 0.450 12 P HA 0.311 nan 4.420 nan 0.000 0.266 12 P C -0.438 176.836 177.300 -0.042 0.000 1.215 12 P CA 0.395 63.476 63.100 -0.032 0.000 0.763 12 P CB 0.243 31.928 31.700 -0.024 0.000 0.806 13 R N 1.534 122.004 120.500 -0.050 0.000 2.491 13 R HA 0.165 4.504 4.340 -0.000 0.000 0.283 13 R C 1.269 177.530 176.300 -0.066 0.000 1.072 13 R CA 0.367 56.427 56.100 -0.067 0.000 1.048 13 R CB 0.365 30.622 30.300 -0.072 0.000 0.983 13 R HN 0.544 nan 8.270 nan 0.000 0.450 14 T N -0.572 113.930 114.554 -0.086 0.000 2.990 14 T HA 0.199 4.549 4.350 -0.000 0.000 0.249 14 T C 0.743 175.373 174.700 -0.115 0.000 1.039 14 T CA -0.042 62.011 62.100 -0.079 0.000 1.036 14 T CB 0.353 69.183 68.868 -0.063 0.000 0.994 14 T HN 0.256 nan 8.240 nan 0.000 0.489 15 L N 3.411 124.520 121.223 -0.190 0.000 2.313 15 L HA 0.536 4.876 4.340 -0.000 0.000 0.283 15 L C 0.420 177.175 176.870 -0.192 0.000 1.013 15 L CA -0.985 53.692 54.840 -0.271 0.000 0.816 15 L CB 1.717 43.437 42.059 -0.565 0.000 1.236 15 L HN 0.242 nan 8.230 nan 0.000 0.419 16 T N -0.013 114.462 114.554 -0.132 0.000 2.881 16 T HA 0.495 4.844 4.350 -0.000 0.000 0.278 16 T C 0.413 175.065 174.700 -0.081 0.000 0.982 16 T CA -0.862 61.185 62.100 -0.088 0.000 0.989 16 T CB 1.273 70.108 68.868 -0.055 0.000 1.058 16 T HN 0.460 nan 8.240 nan 0.000 0.529 17 R N -0.019 120.444 120.500 -0.061 0.000 2.738 17 R HA 0.322 4.662 4.340 -0.000 0.000 0.275 17 R C 1.645 177.911 176.300 -0.056 0.000 1.121 17 R CA -0.574 55.498 56.100 -0.046 0.000 1.207 17 R CB 0.350 30.619 30.300 -0.053 0.000 1.141 17 R HN 0.830 nan 8.270 nan 0.000 0.571 18 R N -0.668 119.790 120.500 -0.071 0.000 2.393 18 R HA 0.134 4.473 4.340 -0.000 0.000 0.244 18 R C -0.005 176.161 176.300 -0.223 0.000 0.920 18 R CA -0.125 55.916 56.100 -0.098 0.000 1.076 18 R CB 0.127 30.410 30.300 -0.029 0.000 1.119 18 R HN 0.323 nan 8.270 nan 0.000 0.524 19 V N -2.190 117.537 119.914 -0.312 0.000 2.823 19 V HA 0.662 4.781 4.120 -0.000 0.000 0.312 19 V C -2.826 173.165 176.094 -0.173 0.000 1.072 19 V CA -3.086 59.009 62.300 -0.342 0.000 0.937 19 V CB 1.864 33.247 31.823 -0.733 0.000 1.013 19 V HN -0.097 nan 8.190 nan 0.000 0.430 20 P HA 0.287 nan 4.420 nan 0.000 0.271 20 P C -0.129 177.160 177.300 -0.018 0.000 1.233 20 P CA 0.032 63.106 63.100 -0.044 0.000 0.789 20 P CB 0.453 32.140 31.700 -0.022 0.000 0.951 21 D N -0.984 119.404 120.400 -0.020 0.000 2.310 21 D HA -0.116 4.523 4.640 -0.000 0.000 0.212 21 D C 1.545 177.849 176.300 0.007 0.000 0.965 21 D CA 1.339 55.332 54.000 -0.012 0.000 0.879 21 D CB -0.361 40.417 40.800 -0.038 0.000 0.921 21 D HN 0.491 nan 8.370 nan 0.000 0.510 22 T N -2.314 112.244 114.554 0.007 0.000 3.118 22 T HA -0.121 4.229 4.350 -0.000 0.000 0.260 22 T C 0.791 175.495 174.700 0.006 0.000 1.139 22 T CA -0.418 61.683 62.100 0.002 0.000 1.085 22 T CB -0.671 68.191 68.868 -0.009 0.000 0.934 22 T HN 0.163 nan 8.240 nan 0.000 0.518 23 Y N 3.975 124.223 120.300 -0.088 0.000 2.903 23 Y HA 0.229 4.779 4.550 -0.000 0.000 0.338 23 Y C 0.059 175.901 175.900 -0.098 0.000 1.265 23 Y CA 0.239 58.273 58.100 -0.110 0.000 1.532 23 Y CB 0.247 38.615 38.460 -0.153 0.000 1.293 23 Y HN 0.294 nan 8.280 nan 0.000 0.609 24 T N 7.150 121.109 114.554 -0.992 0.000 2.841 24 T HA 0.455 4.805 4.350 -0.000 0.000 0.285 24 T C -2.959 171.005 174.700 -1.227 0.000 0.991 24 T CA -2.082 59.514 62.100 -0.841 0.000 0.966 24 T CB 1.608 70.230 68.868 -0.411 0.000 0.962 24 T HN 0.457 nan 8.240 nan 0.000 0.438 25 P HA 0.241 nan 4.420 nan 0.000 0.271 25 P C -1.808 175.155 177.300 -0.562 0.000 1.216 25 P CA -1.459 61.222 63.100 -0.699 0.000 0.776 25 P CB 0.425 31.702 31.700 -0.705 0.000 0.881 26 P HA 0.045 nan 4.420 nan 0.000 0.236 26 P C -0.274 176.854 177.300 -0.287 0.000 1.177 26 P CA 0.887 63.734 63.100 -0.422 0.000 0.773 26 P CB -0.054 31.418 31.700 -0.379 0.000 0.878 27 F N -2.179 117.679 119.950 -0.153 0.000 2.654 27 F HA 0.703 5.230 4.527 -0.000 0.000 0.308 27 F C -3.247 172.503 175.800 -0.084 0.000 1.108 27 F CA -3.667 54.261 58.000 -0.121 0.000 0.957 27 F CB -0.014 38.893 39.000 -0.155 0.000 1.309 27 F HN -0.400 nan 8.300 nan 0.000 0.446 28 P HA 0.335 nan 4.420 nan 0.000 0.275 28 P C -0.980 175.907 177.300 -0.689 0.000 1.227 28 P CA -0.043 62.839 63.100 -0.364 0.000 0.781 28 P CB 1.359 32.761 31.700 -0.498 0.000 0.906 29 M N 1.782 120.796 119.600 -0.977 0.000 2.631 29 M HA 0.499 4.979 4.480 -0.000 0.000 0.288 29 M C -0.679 175.056 176.300 -0.941 0.000 1.260 29 M CA -0.325 54.373 55.300 -1.004 0.000 0.842 29 M CB 2.439 34.376 32.600 -1.105 0.000 1.743 29 M HN 0.443 nan 8.290 nan 0.000 0.461 30 W N 0.941 122.167 121.300 -0.124 0.000 2.975 30 W HA 0.751 5.411 4.660 -0.000 0.000 0.342 30 W C -0.755 175.768 176.519 0.008 0.000 1.168 30 W CA -0.800 56.519 57.345 -0.044 0.000 1.141 30 W CB 1.515 30.954 29.460 -0.035 0.000 1.445 30 W HN 0.537 nan 8.180 nan 0.000 0.560 31 V N -0.857 119.217 119.914 0.267 0.000 3.040 31 V HA 0.915 5.034 4.120 -0.000 0.000 0.312 31 V C 0.047 176.283 176.094 0.236 0.000 1.115 31 V CA -0.889 61.547 62.300 0.228 0.000 0.998 31 V CB 1.101 32.958 31.823 0.057 0.000 1.042 31 V HN 0.649 nan 8.190 nan 0.000 0.433 32 G N 2.353 111.335 108.800 0.303 0.000 2.380 32 G HA2 0.456 4.416 3.960 -0.000 0.000 0.242 32 G HA3 0.456 4.416 3.960 -0.000 0.000 0.242 32 G C -0.169 174.790 174.900 0.098 0.000 1.298 32 G CA -0.370 44.834 45.100 0.174 0.000 0.878 32 G HN 0.737 nan 8.290 nan 0.000 0.542 33 R N 0.344 120.881 120.500 0.061 0.000 2.637 33 R HA 0.773 5.113 4.340 -0.000 0.000 0.291 33 R C -0.388 175.953 176.300 0.069 0.000 0.963 33 R CA -0.647 55.488 56.100 0.058 0.000 0.901 33 R CB 1.959 32.285 30.300 0.043 0.000 1.160 33 R HN 0.775 nan 8.270 nan 0.000 0.457 34 A N 1.737 124.618 122.820 0.102 0.000 2.540 34 A HA 0.404 4.724 4.320 -0.000 0.000 0.297 34 A C -1.025 176.642 177.584 0.139 0.000 1.056 34 A CA -0.934 51.167 52.037 0.108 0.000 0.700 34 A CB 1.248 20.334 19.000 0.143 0.000 1.280 34 A HN 0.712 nan 8.150 nan 0.000 0.398 35 D N 0.458 120.861 120.400 0.006 0.000 2.447 35 D HA 0.277 4.917 4.640 -0.000 0.000 0.265 35 D C 0.562 176.596 176.300 -0.444 0.000 1.250 35 D CA 0.296 54.170 54.000 -0.210 0.000 1.046 35 D CB 0.163 40.870 40.800 -0.155 0.000 1.095 35 D HN 0.522 nan 8.370 nan 0.000 0.555 36 D N -1.607 118.352 120.400 -0.735 0.000 2.378 36 D HA -0.027 4.613 4.640 -0.000 0.000 0.222 36 D C 1.697 177.916 176.300 -0.136 0.000 0.980 36 D CA 0.904 54.611 54.000 -0.489 0.000 0.907 36 D CB -0.338 40.251 40.800 -0.352 0.000 0.899 36 D HN 0.402 nan 8.370 nan 0.000 0.527 37 A N 0.371 123.131 122.820 -0.101 0.000 1.933 37 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 37 A C 1.243 178.842 177.584 0.024 0.000 1.175 37 A CA 0.325 52.348 52.037 -0.024 0.000 0.628 37 A CB -0.660 18.328 19.000 -0.020 0.000 0.814 37 A HN 0.421 nan 8.150 nan 0.000 0.444 38 L N 0.143 121.393 121.223 0.045 0.000 2.369 38 L HA 0.167 4.506 4.340 -0.000 0.000 0.279 38 L C 0.762 177.721 176.870 0.148 0.000 1.108 38 L CA 0.005 54.912 54.840 0.112 0.000 0.852 38 L CB 0.836 42.985 42.059 0.150 0.000 1.169 38 L HN 0.438 nan 8.230 nan 0.000 0.452 39 Q N 2.869 122.755 119.800 0.145 0.000 2.404 39 Q HA 0.229 4.569 4.340 -0.000 0.000 0.262 39 Q C -0.335 175.770 176.000 0.176 0.000 0.846 39 Q CA 0.063 55.955 55.803 0.148 0.000 0.978 39 Q CB 1.109 29.910 28.738 0.105 0.000 1.156 39 Q HN 0.682 nan 8.270 nan 0.000 0.548 40 Q N 0.738 120.643 119.800 0.175 0.000 2.364 40 Q HA 0.349 4.689 4.340 -0.000 0.000 0.257 40 Q C -1.563 174.535 176.000 0.164 0.000 0.956 40 Q CA -0.510 55.404 55.803 0.185 0.000 0.924 40 Q CB 2.247 31.068 28.738 0.138 0.000 1.413 40 Q HN 0.094 nan 8.270 nan 0.000 0.418 41 V N 0.214 120.229 119.914 0.167 0.000 2.966 41 V HA 0.864 4.983 4.120 -0.000 0.000 0.317 41 V C -0.601 175.572 176.094 0.132 0.000 1.070 41 V CA -0.541 61.837 62.300 0.129 0.000 1.008 41 V CB 1.857 33.699 31.823 0.032 0.000 1.070 41 V HN 0.477 nan 8.190 nan 0.000 0.457 42 V N 3.644 123.663 119.914 0.175 0.000 2.444 42 V HA 0.491 4.610 4.120 -0.000 0.000 0.294 42 V C -0.138 176.079 176.094 0.205 0.000 1.022 42 V CA -0.364 62.019 62.300 0.138 0.000 0.850 42 V CB 1.442 33.265 31.823 0.001 0.000 0.992 42 V HN 0.938 nan 8.190 nan 0.000 0.426 43 M N 4.396 124.049 119.600 0.090 0.000 2.080 43 M HA 0.513 4.993 4.480 -0.000 0.000 0.350 43 M C 0.530 176.832 176.300 0.003 0.000 1.143 43 M CA -0.076 55.182 55.300 -0.070 0.000 1.064 43 M CB 1.328 33.969 32.600 0.068 0.000 1.429 43 M HN 0.711 nan 8.290 nan 0.000 0.418 44 G N 3.016 111.810 108.800 -0.009 0.000 2.547 44 G HA2 0.481 4.441 3.960 -0.000 0.000 0.327 44 G HA3 0.481 4.441 3.960 -0.000 0.000 0.327 44 G C -1.340 173.577 174.900 0.029 0.000 1.118 44 G CA -0.266 44.896 45.100 0.103 0.000 1.022 44 G HN 0.565 nan 8.290 nan 0.000 0.464 45 Y N 2.566 122.937 120.300 0.119 0.000 2.477 45 Y HA 0.364 4.914 4.550 -0.000 0.000 0.349 45 Y C -0.066 175.968 175.900 0.222 0.000 0.977 45 Y CA -0.741 57.484 58.100 0.209 0.000 1.214 45 Y CB 1.362 40.013 38.460 0.318 0.000 1.124 45 Y HN 0.200 nan 8.280 nan 0.000 0.521 46 L N 3.531 124.908 121.223 0.257 0.000 2.287 46 L HA 0.687 5.027 4.340 -0.000 0.000 0.287 46 L C 0.511 177.348 176.870 -0.055 0.000 1.022 46 L CA -0.649 54.265 54.840 0.123 0.000 0.814 46 L CB 1.499 43.647 42.059 0.147 0.000 1.217 46 L HN 0.686 nan 8.230 nan 0.000 0.420 47 G N 2.387 110.890 108.800 -0.496 0.000 2.448 47 G HA2 0.693 4.653 3.960 -0.000 0.000 0.324 47 G HA3 0.693 4.653 3.960 -0.000 0.000 0.324 47 G C -1.517 173.128 174.900 -0.424 0.000 1.203 47 G CA -0.468 44.004 45.100 -1.047 0.000 0.954 47 G HN 0.294 nan 8.290 nan 0.000 0.480 48 V N 0.927 120.750 119.914 -0.152 0.000 2.588 48 V HA 0.533 4.652 4.120 -0.000 0.000 0.304 48 V C -0.265 175.896 176.094 0.112 0.000 1.042 48 V CA -0.733 61.573 62.300 0.011 0.000 0.877 48 V CB 1.564 33.477 31.823 0.149 0.000 0.996 48 V HN 0.822 nan 8.190 nan 0.000 0.425 49 Q N 3.986 123.843 119.800 0.096 0.000 2.353 49 Q HA 0.784 5.124 4.340 -0.000 0.000 0.268 49 Q C -1.763 174.439 176.000 0.336 0.000 1.045 49 Q CA -0.576 55.364 55.803 0.228 0.000 0.811 49 Q CB 2.346 31.230 28.738 0.243 0.000 1.305 49 Q HN 0.750 nan 8.270 nan 0.000 0.447 50 F N 0.289 120.324 119.950 0.141 0.000 2.686 50 F HA 0.566 5.093 4.527 -0.000 0.000 0.311 50 F C -0.400 175.447 175.800 0.079 0.000 1.128 50 F CA -1.011 57.056 58.000 0.111 0.000 0.946 50 F CB 1.360 40.378 39.000 0.030 0.000 1.336 50 F HN 0.566 nan 8.300 nan 0.000 0.457 51 R N -0.504 120.008 120.500 0.020 0.000 2.383 51 R HA 0.259 4.598 4.340 -0.000 0.000 0.205 51 R C -0.977 175.258 176.300 -0.109 0.000 0.875 51 R CA 0.041 55.947 56.100 -0.324 0.000 1.039 51 R CB 0.297 30.118 30.300 -0.798 0.000 1.267 51 R HN 0.767 nan 8.270 nan 0.000 0.635 52 D N 0.860 121.297 120.400 0.063 0.000 2.210 52 D HA 0.048 4.688 4.640 -0.000 0.000 0.249 52 D C 0.456 176.853 176.300 0.161 0.000 1.062 52 D CA -0.169 53.873 54.000 0.070 0.000 0.891 52 D CB 1.853 42.677 40.800 0.041 0.000 1.186 52 D HN -0.036 nan 8.370 nan 0.000 0.432 53 E N 0.826 121.087 120.200 0.100 0.000 2.130 53 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 53 E C 0.699 177.340 176.600 0.068 0.000 0.998 53 E CA 1.441 57.903 56.400 0.105 0.000 0.806 53 E CB -0.022 29.712 29.700 0.057 0.000 0.738 53 E HN 0.568 nan 8.360 nan 0.000 0.459 54 D N -1.006 119.416 120.400 0.036 0.000 2.363 54 D HA -0.095 4.544 4.640 -0.000 0.000 0.226 54 D C 1.173 177.453 176.300 -0.032 0.000 1.020 54 D CA 0.354 54.354 54.000 0.000 0.000 0.892 54 D CB -0.120 40.681 40.800 0.000 0.000 0.900 54 D HN 0.247 nan 8.370 nan 0.000 0.531 55 Q N -0.542 119.234 119.800 -0.040 0.000 2.356 55 Q HA 0.151 4.491 4.340 -0.000 0.000 0.205 55 Q C 1.802 177.543 176.000 -0.432 0.000 0.901 55 Q CA -0.284 55.428 55.803 -0.153 0.000 0.938 55 Q CB 0.320 29.029 28.738 -0.047 0.000 1.081 55 Q HN 0.255 nan 8.270 nan 0.000 0.517 56 R N 1.256 121.521 120.500 -0.392 0.000 2.080 56 R HA -0.135 4.205 4.340 -0.000 0.000 0.236 56 R C -0.834 175.274 176.300 -0.319 0.000 1.137 56 R CA 1.608 57.415 56.100 -0.488 0.000 0.943 56 R CB -0.681 29.532 30.300 -0.144 0.000 0.846 56 R HN 0.136 nan 8.270 nan 0.000 0.431 57 P HA -0.073 nan 4.420 nan 0.000 0.217 57 P C 0.682 177.916 177.300 -0.110 0.000 1.150 57 P CA 1.807 64.837 63.100 -0.116 0.000 0.832 57 P CB -0.042 31.613 31.700 -0.074 0.000 0.787 58 A N -0.206 122.535 122.820 -0.131 0.000 1.969 58 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 58 A C 2.269 179.797 177.584 -0.094 0.000 1.169 58 A CA 1.810 53.797 52.037 -0.084 0.000 0.635 58 A CB -1.431 17.527 19.000 -0.070 0.000 0.810 58 A HN 0.196 nan 8.150 nan 0.000 0.445 59 A N -0.230 122.434 122.820 -0.259 0.000 1.898 59 A HA 0.095 4.415 4.320 -0.000 0.000 0.214 59 A C 2.094 179.623 177.584 -0.092 0.000 1.183 59 A CA 1.208 53.094 52.037 -0.252 0.000 0.622 59 A CB -0.542 18.015 19.000 -0.740 0.000 0.824 59 A HN 0.431 nan 8.150 nan 0.000 0.444 60 L N -0.859 120.290 121.223 -0.123 0.000 2.131 60 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 60 L C 2.805 179.666 176.870 -0.014 0.000 1.092 60 L CA 1.567 56.381 54.840 -0.043 0.000 0.759 60 L CB -0.357 41.667 42.059 -0.058 0.000 0.903 60 L HN 0.437 nan 8.230 nan 0.000 0.435 61 Q N 0.244 120.037 119.800 -0.011 0.000 2.083 61 Q HA -0.098 4.242 4.340 -0.000 0.000 0.198 61 Q C 2.248 178.281 176.000 0.056 0.000 0.969 61 Q CA 1.858 57.669 55.803 0.013 0.000 0.838 61 Q CB -0.250 28.498 28.738 0.017 0.000 0.900 61 Q HN 0.400 nan 8.270 nan 0.000 0.436 62 A N 0.436 123.335 122.820 0.132 0.000 1.940 62 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 62 A C 2.140 179.813 177.584 0.148 0.000 1.176 62 A CA 1.733 53.936 52.037 0.276 0.000 0.631 62 A CB -0.701 18.605 19.000 0.510 0.000 0.814 62 A HN 0.597 nan 8.150 nan 0.000 0.446 63 M N -0.975 118.677 119.600 0.087 0.000 2.099 63 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 63 M C 2.290 178.533 176.300 -0.095 0.000 1.067 63 M CA 1.561 56.866 55.300 0.009 0.000 1.124 63 M CB -0.220 32.408 32.600 0.047 0.000 1.353 63 M HN 0.367 nan 8.290 nan 0.000 0.410 64 R N 0.376 120.834 120.500 -0.069 0.000 2.127 64 R HA -0.168 4.171 4.340 -0.000 0.000 0.238 64 R C 1.628 177.825 176.300 -0.172 0.000 1.134 64 R CA 1.757 57.796 56.100 -0.101 0.000 0.975 64 R CB -0.415 29.851 30.300 -0.058 0.000 0.865 64 R HN 0.524 nan 8.270 nan 0.000 0.447 65 D N 0.432 120.717 120.400 -0.191 0.000 2.097 65 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 65 D C 1.932 177.925 176.300 -0.511 0.000 0.984 65 D CA 1.079 54.894 54.000 -0.309 0.000 0.826 65 D CB -0.163 40.465 40.800 -0.287 0.000 0.973 65 D HN 0.225 nan 8.370 nan 0.000 0.460 66 I N 0.654 120.873 120.570 -0.584 0.000 2.286 66 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 66 I C 2.423 178.023 176.117 -0.861 0.000 1.115 66 I CA 0.578 61.467 61.300 -0.684 0.000 1.392 66 I CB -0.214 37.479 38.000 -0.511 0.000 1.065 66 I HN -0.126 nan 8.210 nan 0.000 0.418 67 V N 1.061 120.555 119.914 -0.701 0.000 2.453 67 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 67 V C 2.763 178.590 176.094 -0.446 0.000 1.048 67 V CA 1.828 63.686 62.300 -0.738 0.000 1.049 67 V CB -0.877 30.708 31.823 -0.397 0.000 0.672 67 V HN 0.484 nan 8.190 nan 0.000 0.457 68 A N 0.711 123.351 122.820 -0.300 0.000 1.933 68 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 68 A C 2.379 179.895 177.584 -0.113 0.000 1.175 68 A CA 1.837 53.775 52.037 -0.165 0.000 0.628 68 A CB -1.171 17.740 19.000 -0.148 0.000 0.814 68 A HN 0.544 nan 8.150 nan 0.000 0.444 69 G N -1.655 107.034 108.800 -0.184 0.000 2.498 69 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.219 69 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.219 69 G C 1.082 176.224 174.900 0.403 0.000 1.119 69 G CA 0.844 45.948 45.100 0.008 0.000 0.766 69 G HN 0.410 nan 8.290 nan 0.000 0.552 70 F N 1.073 121.076 119.950 0.088 0.000 2.558 70 F HA 0.136 4.663 4.527 -0.000 0.000 0.298 70 F C 1.834 177.638 175.800 0.007 0.000 1.119 70 F CA -0.295 57.700 58.000 -0.009 0.000 1.451 70 F CB -0.145 38.685 39.000 -0.282 0.000 1.091 70 F HN 0.094 nan 8.300 nan 0.000 0.563 71 D N 0.304 120.817 120.400 0.189 0.000 2.312 71 D HA -0.016 4.624 4.640 -0.000 0.000 0.211 71 D C 1.160 177.537 176.300 0.127 0.000 0.964 71 D CA 0.467 54.537 54.000 0.115 0.000 0.877 71 D CB 0.034 40.870 40.800 0.060 0.000 0.924 71 D HN 0.137 nan 8.370 nan 0.000 0.515 72 L N 1.087 122.423 121.223 0.188 0.000 2.476 72 L HA 0.159 4.498 4.340 -0.000 0.000 0.264 72 L C -1.806 175.190 176.870 0.211 0.000 1.224 72 L CA -1.622 53.325 54.840 0.178 0.000 0.821 72 L CB -0.389 41.776 42.059 0.176 0.000 1.101 72 L HN -0.207 nan 8.230 nan 0.000 0.488 73 P HA -0.016 nan 4.420 nan 0.000 0.266 73 P C -0.482 176.973 177.300 0.258 0.000 1.195 73 P CA 0.221 63.418 63.100 0.161 0.000 0.768 73 P CB 0.272 32.038 31.700 0.109 0.000 0.838 74 D N -0.289 120.244 120.400 0.222 0.000 2.981 74 D HA -0.121 4.518 4.640 -0.000 0.000 0.223 74 D C 0.775 177.301 176.300 0.377 0.000 1.151 74 D CA 1.383 55.550 54.000 0.279 0.000 0.827 74 D CB -1.290 39.679 40.800 0.281 0.000 1.101 74 D HN 0.601 nan 8.370 nan 0.000 0.426 75 G N 0.678 109.615 108.800 0.229 0.000 2.651 75 G HA2 0.411 4.371 3.960 -0.000 0.000 0.260 75 G HA3 0.411 4.371 3.960 -0.000 0.000 0.260 75 G C -2.178 172.444 174.900 -0.463 0.000 1.216 75 G CA -0.667 44.400 45.100 -0.055 0.000 0.913 75 G HN -0.010 nan 8.290 nan 0.000 0.535 76 P HA 0.195 nan 4.420 nan 0.000 0.271 76 P C 0.499 177.292 177.300 -0.844 0.000 1.216 76 P CA 0.145 62.140 63.100 -1.842 0.000 0.776 76 P CB 1.442 31.668 31.700 -2.456 0.000 0.881 77 A N 2.044 124.516 122.820 -0.581 0.000 2.067 77 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 77 A C 0.840 178.335 177.584 -0.148 0.000 1.158 77 A CA 1.524 53.406 52.037 -0.259 0.000 0.661 77 A CB -0.954 17.954 19.000 -0.154 0.000 0.801 77 A HN 0.782 nan 8.150 nan 0.000 0.452 78 H N -1.357 117.517 119.070 -0.327 0.000 3.046 78 H HA 0.563 5.119 4.556 -0.000 0.000 0.361 78 H C -0.903 174.313 175.328 -0.187 0.000 1.235 78 H CA -0.534 55.382 56.048 -0.220 0.000 1.146 78 H CB 1.091 30.747 29.762 -0.177 0.000 1.859 78 H HN 0.384 nan 8.280 nan 0.000 0.548 79 H N 1.345 119.918 119.070 -0.829 0.000 3.017 79 H HA 0.531 5.087 4.556 -0.000 0.000 0.346 79 H C -1.839 173.221 175.328 -0.446 0.000 1.286 79 H CA -0.792 54.949 56.048 -0.512 0.000 1.120 79 H CB 2.392 31.975 29.762 -0.300 0.000 1.860 79 H HN 0.752 nan 8.280 nan 0.000 0.542 80 D N 1.317 121.697 120.400 -0.033 0.000 2.654 80 D HA 0.444 5.084 4.640 -0.000 0.000 0.231 80 D C -1.045 175.402 176.300 0.245 0.000 1.239 80 D CA -0.881 53.156 54.000 0.062 0.000 0.790 80 D CB 1.905 42.758 40.800 0.088 0.000 1.480 80 D HN 0.655 nan 8.370 nan 0.000 0.442 81 L N -0.473 120.892 121.223 0.237 0.000 2.334 81 L HA 0.920 5.260 4.340 -0.000 0.000 0.276 81 L C -0.226 176.794 176.870 0.249 0.000 1.014 81 L CA -0.807 54.177 54.840 0.240 0.000 0.815 81 L CB 1.823 44.001 42.059 0.198 0.000 1.268 81 L HN 0.705 nan 8.230 nan 0.000 0.428 82 T N -2.744 111.971 114.554 0.267 0.000 2.883 82 T HA 0.472 4.822 4.350 -0.000 0.000 0.296 82 T C -1.110 173.795 174.700 0.343 0.000 1.117 82 T CA -0.675 61.585 62.100 0.267 0.000 1.006 82 T CB 2.064 71.023 68.868 0.152 0.000 1.191 82 T HN 0.827 nan 8.240 nan 0.000 0.508 83 H N 1.405 120.639 119.070 0.272 0.000 2.637 83 H HA 0.530 5.086 4.556 -0.000 0.000 0.363 83 H C -1.279 174.229 175.328 0.301 0.000 1.131 83 H CA -0.459 55.770 56.048 0.302 0.000 1.183 83 H CB 1.874 31.871 29.762 0.392 0.000 1.637 83 H HN 1.055 nan 8.280 nan 0.000 0.531 84 H N 4.129 122.902 119.070 -0.494 0.000 3.079 84 H HA 0.282 4.838 4.556 -0.000 0.000 0.356 84 H C -1.476 173.630 175.328 -0.370 0.000 1.221 84 H CA -0.830 55.020 56.048 -0.330 0.000 1.185 84 H CB 1.032 30.741 29.762 -0.089 0.000 1.882 84 H HN 0.474 nan 8.280 nan 0.000 0.543 85 I N 3.074 123.541 120.570 -0.173 0.000 2.315 85 I HA 0.116 4.286 4.170 -0.000 0.000 0.291 85 I C 0.027 176.176 176.117 0.054 0.000 1.006 85 I CA -0.663 60.565 61.300 -0.121 0.000 1.265 85 I CB 1.152 39.147 38.000 -0.009 0.000 1.387 85 I HN 0.570 nan 8.210 nan 0.000 0.475 86 D N 4.539 124.965 120.400 0.043 0.000 2.414 86 D HA -0.011 4.629 4.640 -0.000 0.000 0.251 86 D C 0.871 177.225 176.300 0.090 0.000 1.252 86 D CA -0.582 53.505 54.000 0.145 0.000 0.999 86 D CB 0.342 41.249 40.800 0.177 0.000 1.093 86 D HN 0.567 nan 8.370 nan 0.000 0.515 87 N N -0.559 118.185 118.700 0.073 0.000 2.609 87 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 87 N C 0.564 176.080 175.510 0.010 0.000 1.157 87 N CA 0.702 53.773 53.050 0.035 0.000 0.918 87 N CB -0.240 38.256 38.487 0.016 0.000 0.978 87 N HN 0.359 nan 8.380 nan 0.000 0.448 88 Q N -0.748 119.054 119.800 0.003 0.000 2.282 88 Q HA 0.238 4.578 4.340 -0.000 0.000 0.206 88 Q C 0.863 176.894 176.000 0.051 0.000 0.878 88 Q CA 0.457 56.248 55.803 -0.021 0.000 0.944 88 Q CB 0.258 28.843 28.738 -0.256 0.000 1.100 88 Q HN 0.579 nan 8.270 nan 0.000 0.509 89 G N 0.521 109.337 108.800 0.027 0.000 2.179 89 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 89 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 89 G C -0.216 174.623 174.900 -0.102 0.000 0.977 89 G CA -0.003 45.070 45.100 -0.044 0.000 0.641 89 G HN 0.304 nan 8.290 nan 0.000 0.533 90 Y N 1.827 122.034 120.300 -0.155 0.000 2.359 90 Y HA 0.458 5.008 4.550 -0.000 0.000 0.330 90 Y C 1.125 176.850 175.900 -0.292 0.000 1.143 90 Y CA -0.325 57.668 58.100 -0.179 0.000 1.318 90 Y CB 0.621 39.047 38.460 -0.057 0.000 1.234 90 Y HN 0.213 nan 8.280 nan 0.000 0.522 91 E N 3.283 123.240 120.200 -0.405 0.000 2.283 91 E HA 0.218 4.568 4.350 -0.000 0.000 0.278 91 E C -0.828 175.441 176.600 -0.553 0.000 1.027 91 E CA -0.536 55.464 56.400 -0.667 0.000 0.843 91 E CB 0.779 29.789 29.700 -1.150 0.000 1.062 91 E HN 0.617 nan 8.360 nan 0.000 0.401 92 N N 3.205 121.603 118.700 -0.504 0.000 2.399 92 N HA 0.293 5.033 4.740 -0.000 0.000 0.284 92 N C -0.999 174.495 175.510 -0.025 0.000 1.025 92 N CA -0.443 52.485 53.050 -0.204 0.000 0.885 92 N CB 1.721 40.058 38.487 -0.251 0.000 1.339 92 N HN 0.198 nan 8.380 nan 0.000 0.487 93 L N 3.790 125.128 121.223 0.191 0.000 2.265 93 L HA 0.574 4.913 4.340 -0.000 0.000 0.289 93 L C -0.244 176.755 176.870 0.215 0.000 1.033 93 L CA -0.491 54.501 54.840 0.253 0.000 0.814 93 L CB 0.910 43.142 42.059 0.289 0.000 1.203 93 L HN 0.359 nan 8.230 nan 0.000 0.423 94 I N 3.926 124.664 120.570 0.281 0.000 2.406 94 I HA 0.389 4.559 4.170 -0.000 0.000 0.290 94 I C -0.421 175.854 176.117 0.265 0.000 0.999 94 I CA -0.856 60.622 61.300 0.296 0.000 1.124 94 I CB 2.160 40.451 38.000 0.486 0.000 1.289 94 I HN 0.198 nan 8.210 nan 0.000 0.441 95 V N 6.798 126.833 119.914 0.201 0.000 2.394 95 V HA 0.378 4.497 4.120 -0.000 0.000 0.282 95 V C -0.138 176.048 176.094 0.153 0.000 1.031 95 V CA -0.755 61.656 62.300 0.185 0.000 0.881 95 V CB 2.054 33.940 31.823 0.105 0.000 0.982 95 V HN 0.504 nan 8.190 nan 0.000 0.451 96 V N 4.638 124.591 119.914 0.065 0.000 2.448 96 V HA 0.910 5.030 4.120 -0.000 0.000 0.295 96 V C 0.379 176.275 176.094 -0.329 0.000 1.025 96 V CA 0.123 62.261 62.300 -0.271 0.000 0.859 96 V CB 1.452 32.899 31.823 -0.627 0.000 0.988 96 V HN 0.986 nan 8.190 nan 0.000 0.431 97 G N 5.279 113.770 108.800 -0.514 0.000 2.416 97 G HA2 0.623 4.583 3.960 -0.000 0.000 0.329 97 G HA3 0.623 4.583 3.960 -0.000 0.000 0.329 97 G C -1.759 172.593 174.900 -0.914 0.000 1.173 97 G CA -0.459 44.101 45.100 -0.900 0.000 0.929 97 G HN 0.676 nan 8.290 nan 0.000 0.475 98 Y N 0.528 120.431 120.300 -0.662 0.000 2.352 98 Y HA 0.472 5.022 4.550 -0.000 0.000 0.339 98 Y C -0.049 175.565 175.900 -0.477 0.000 0.992 98 Y CA -0.827 57.063 58.100 -0.349 0.000 1.100 98 Y CB 1.725 40.072 38.460 -0.189 0.000 1.192 98 Y HN 0.414 nan 8.280 nan 0.000 0.458 99 W N 3.012 124.274 121.300 -0.063 0.000 2.627 99 W HA 0.335 4.995 4.660 -0.000 0.000 0.339 99 W C 0.543 177.049 176.519 -0.022 0.000 1.058 99 W CA -0.916 56.379 57.345 -0.084 0.000 1.223 99 W CB 2.067 31.451 29.460 -0.125 0.000 1.389 99 W HN 0.598 nan 8.180 nan 0.000 0.541 100 K N 0.332 120.845 120.400 0.187 0.000 2.365 100 K HA -0.060 4.260 4.320 -0.000 0.000 0.197 100 K C 0.339 177.021 176.600 0.137 0.000 1.042 100 K CA 0.915 57.278 56.287 0.126 0.000 0.987 100 K CB 0.311 32.856 32.500 0.075 0.000 0.779 100 K HN 0.422 nan 8.250 nan 0.000 0.484 101 D N -1.903 118.593 120.400 0.160 0.000 2.583 101 D HA 0.025 4.665 4.640 -0.000 0.000 0.248 101 D C 0.765 177.109 176.300 0.074 0.000 1.209 101 D CA -0.540 53.527 54.000 0.111 0.000 0.848 101 D CB 1.545 42.397 40.800 0.086 0.000 1.431 101 D HN -0.308 nan 8.370 nan 0.000 0.436 102 V N 1.325 121.261 119.914 0.037 0.000 2.307 102 V HA -0.228 3.891 4.120 -0.000 0.000 0.245 102 V C 2.721 178.791 176.094 -0.040 0.000 1.045 102 V CA 2.751 65.040 62.300 -0.019 0.000 1.024 102 V CB -0.884 30.932 31.823 -0.012 0.000 0.651 102 V HN 0.800 nan 8.190 nan 0.000 0.449 103 S N 1.081 116.781 115.700 -0.000 0.000 2.399 103 S HA -0.192 4.278 4.470 -0.000 0.000 0.231 103 S C 2.122 176.750 174.600 0.046 0.000 1.022 103 S CA 1.675 59.891 58.200 0.026 0.000 0.983 103 S CB -0.658 62.560 63.200 0.030 0.000 0.803 103 S HN 0.729 nan 8.310 nan 0.000 0.480 104 S N 1.092 116.813 115.700 0.034 0.000 2.402 104 S HA -0.109 4.361 4.470 -0.000 0.000 0.229 104 S C 2.060 176.633 174.600 -0.044 0.000 1.021 104 S CA 0.897 59.138 58.200 0.067 0.000 0.974 104 S CB -0.698 62.595 63.200 0.155 0.000 0.800 104 S HN 0.548 nan 8.310 nan 0.000 0.484 105 Q N 0.951 120.523 119.800 -0.381 0.000 2.119 105 Q HA -0.196 4.144 4.340 -0.000 0.000 0.201 105 Q C 1.986 177.806 176.000 -0.301 0.000 0.972 105 Q CA 1.828 57.094 55.803 -0.895 0.000 0.847 105 Q CB -0.476 27.382 28.738 -1.465 0.000 0.903 105 Q HN 0.822 nan 8.270 nan 0.000 0.433 106 H N 0.530 119.468 119.070 -0.220 0.000 2.357 106 H HA 0.044 4.600 4.556 -0.000 0.000 0.301 106 H C 1.992 177.298 175.328 -0.036 0.000 1.082 106 H CA 1.899 57.880 56.048 -0.111 0.000 1.342 106 H CB 0.204 29.914 29.762 -0.087 0.000 1.389 106 H HN 0.142 nan 8.280 nan 0.000 0.511 107 R N -1.194 119.322 120.500 0.028 0.000 2.159 107 R HA -0.184 4.155 4.340 -0.000 0.000 0.237 107 R C 1.897 178.215 176.300 0.030 0.000 1.131 107 R CA 1.434 57.544 56.100 0.016 0.000 0.982 107 R CB -0.388 29.958 30.300 0.077 0.000 0.868 107 R HN 0.485 nan 8.270 nan 0.000 0.453 108 W N 0.512 121.741 121.300 -0.118 0.000 2.480 108 W HA -0.004 4.655 4.660 -0.000 0.000 0.299 108 W C 2.247 178.695 176.519 -0.119 0.000 1.187 108 W CA 0.913 58.221 57.345 -0.063 0.000 1.347 108 W CB -0.232 29.245 29.460 0.027 0.000 1.121 108 W HN -0.164 nan 8.180 nan 0.000 0.533 109 S N -0.407 115.315 115.700 0.037 0.000 2.400 109 S HA -0.212 4.258 4.470 -0.000 0.000 0.232 109 S C 1.757 176.170 174.600 -0.312 0.000 1.025 109 S CA 2.114 60.206 58.200 -0.179 0.000 0.993 109 S CB -0.601 62.517 63.200 -0.137 0.000 0.808 109 S HN 0.529 nan 8.310 nan 0.000 0.478 110 T N -0.608 113.754 114.554 -0.320 0.000 3.037 110 T HA 0.144 4.494 4.350 -0.000 0.000 0.252 110 T C 0.957 175.536 174.700 -0.201 0.000 1.073 110 T CA 0.414 62.352 62.100 -0.270 0.000 1.091 110 T CB -0.328 68.344 68.868 -0.327 0.000 0.935 110 T HN 0.340 nan 8.240 nan 0.000 0.488 111 S N 1.784 117.355 115.700 -0.216 0.000 2.558 111 S HA 0.048 4.518 4.470 -0.000 0.000 0.291 111 S C 1.294 175.790 174.600 -0.174 0.000 1.306 111 S CA 0.109 58.206 58.200 -0.171 0.000 1.056 111 S CB 0.462 63.561 63.200 -0.169 0.000 0.836 111 S HN 0.351 nan 8.310 nan 0.000 0.504 112 T N 4.782 119.270 114.554 -0.110 0.000 2.597 112 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 112 T C -0.832 173.816 174.700 -0.087 0.000 1.053 112 T CA 2.062 64.114 62.100 -0.081 0.000 1.165 112 T CB -1.790 67.048 68.868 -0.050 0.000 0.863 112 T HN 0.639 nan 8.240 nan 0.000 0.427 113 P HA -0.001 nan 4.420 nan 0.000 0.218 113 P C 1.368 178.594 177.300 -0.122 0.000 1.148 113 P CA 0.773 63.817 63.100 -0.092 0.000 0.822 113 P CB -0.137 31.500 31.700 -0.106 0.000 0.784 114 I N -0.533 119.879 120.570 -0.264 0.000 2.235 114 I HA -0.062 4.108 4.170 -0.000 0.000 0.241 114 I C 2.267 178.309 176.117 -0.124 0.000 1.085 114 I CA 1.241 62.322 61.300 -0.365 0.000 1.378 114 I CB -1.884 35.536 38.000 -0.967 0.000 1.076 114 I HN -0.110 nan 8.210 nan 0.000 0.415 115 A N 1.083 123.820 122.820 -0.138 0.000 1.933 115 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 115 A C 2.492 180.117 177.584 0.069 0.000 1.175 115 A CA 2.245 54.271 52.037 -0.018 0.000 0.628 115 A CB -0.780 18.179 19.000 -0.068 0.000 0.814 115 A HN 0.556 nan 8.150 nan 0.000 0.444 116 S N -2.358 113.363 115.700 0.036 0.000 2.428 116 S HA -0.180 4.289 4.470 -0.000 0.000 0.230 116 S C 1.702 176.338 174.600 0.059 0.000 1.014 116 S CA 1.073 59.292 58.200 0.031 0.000 0.957 116 S CB -0.707 62.498 63.200 0.009 0.000 0.784 116 S HN 0.744 nan 8.310 nan 0.000 0.499 117 W N 1.532 122.790 121.300 -0.069 0.000 2.381 117 W HA 0.070 4.730 4.660 -0.000 0.000 0.301 117 W C 2.245 178.727 176.519 -0.061 0.000 1.205 117 W CA 1.085 58.382 57.345 -0.080 0.000 1.285 117 W CB -0.359 29.044 29.460 -0.095 0.000 1.133 117 W HN 0.396 nan 8.180 nan 0.000 0.521 118 W N 1.116 122.421 121.300 0.009 0.000 2.407 118 W HA -0.146 4.514 4.660 -0.000 0.000 0.305 118 W C 1.363 177.755 176.519 -0.212 0.000 1.196 118 W CA 1.893 59.163 57.345 -0.125 0.000 1.311 118 W CB -0.455 29.013 29.460 0.014 0.000 1.135 118 W HN -0.082 nan 8.180 nan 0.000 0.514 119 E N 0.591 120.731 120.200 -0.099 0.000 2.435 119 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 119 E C 1.095 177.560 176.600 -0.226 0.000 1.029 119 E CA 0.058 56.346 56.400 -0.186 0.000 0.865 119 E CB 0.061 29.745 29.700 -0.028 0.000 0.833 119 E HN -0.101 nan 8.360 nan 0.000 0.510 120 S N 0.729 116.280 115.700 -0.248 0.000 2.558 120 S HA -0.103 4.366 4.470 -0.000 0.000 0.291 120 S C 0.808 175.247 174.600 -0.268 0.000 1.306 120 S CA -0.065 57.989 58.200 -0.242 0.000 1.056 120 S CB 0.668 63.697 63.200 -0.286 0.000 0.836 120 S HN 0.124 nan 8.310 nan 0.000 0.504 121 E N 2.446 122.533 120.200 -0.187 0.000 2.418 121 E HA -0.039 4.311 4.350 -0.000 0.000 0.197 121 E C 0.984 177.488 176.600 -0.160 0.000 1.026 121 E CA 0.650 56.953 56.400 -0.161 0.000 0.862 121 E CB 0.047 29.682 29.700 -0.108 0.000 0.799 121 E HN 0.646 nan 8.360 nan 0.000 0.518 122 D N 0.259 120.548 120.400 -0.185 0.000 2.178 122 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 122 D C 1.648 177.845 176.300 -0.173 0.000 0.980 122 D CA 0.649 54.551 54.000 -0.163 0.000 0.842 122 D CB 0.099 40.795 40.800 -0.173 0.000 0.948 122 D HN 0.039 nan 8.370 nan 0.000 0.472 123 R N 0.055 120.379 120.500 -0.292 0.000 2.127 123 R HA -0.058 4.282 4.340 -0.000 0.000 0.238 123 R C 2.203 178.476 176.300 -0.045 0.000 1.134 123 R CA 0.457 56.408 56.100 -0.249 0.000 0.975 123 R CB -0.690 29.266 30.300 -0.573 0.000 0.865 123 R HN 0.323 nan 8.270 nan 0.000 0.447 124 L N 0.853 122.015 121.223 -0.100 0.000 2.395 124 L HA -0.044 4.295 4.340 -0.000 0.000 0.218 124 L C 1.867 178.722 176.870 -0.024 0.000 1.130 124 L CA 1.131 55.939 54.840 -0.054 0.000 0.826 124 L CB -0.044 41.969 42.059 -0.077 0.000 0.941 124 L HN 0.190 nan 8.230 nan 0.000 0.451 125 S N -3.884 111.800 115.700 -0.027 0.000 2.603 125 S HA 0.070 4.540 4.470 -0.000 0.000 0.232 125 S C 1.130 175.732 174.600 0.002 0.000 1.016 125 S CA -0.429 57.762 58.200 -0.015 0.000 0.976 125 S CB 0.064 63.247 63.200 -0.028 0.000 0.921 125 S HN 0.169 nan 8.310 nan 0.000 0.516 126 D N 2.151 122.565 120.400 0.024 0.000 2.264 126 D HA 0.134 4.774 4.640 -0.000 0.000 0.208 126 D C 1.799 178.119 176.300 0.032 0.000 0.966 126 D CA 1.591 55.620 54.000 0.049 0.000 0.864 126 D CB -0.301 40.580 40.800 0.134 0.000 0.933 126 D HN 0.662 nan 8.370 nan 0.000 0.499 127 G N 0.094 108.908 108.800 0.023 0.000 2.299 127 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.237 127 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.237 127 G C 0.373 175.271 174.900 -0.003 0.000 1.027 127 G CA 0.236 45.346 45.100 0.016 0.000 0.619 127 G HN 0.335 nan 8.290 nan 0.000 0.513 128 L N 1.599 122.776 121.223 -0.075 0.000 2.417 128 L HA 0.590 4.930 4.340 -0.000 0.000 0.268 128 L C 1.436 178.072 176.870 -0.391 0.000 1.158 128 L CA -0.160 54.535 54.840 -0.242 0.000 0.819 128 L CB 0.844 42.630 42.059 -0.455 0.000 1.112 128 L HN 0.258 nan 8.230 nan 0.000 0.458 129 G N 1.153 109.783 108.800 -0.283 0.000 2.444 129 G HA2 0.532 4.492 3.960 -0.000 0.000 0.268 129 G HA3 0.532 4.492 3.960 -0.000 0.000 0.268 129 G C -1.124 173.497 174.900 -0.464 0.000 1.203 129 G CA -0.189 44.800 45.100 -0.186 0.000 0.835 129 G HN 0.284 nan 8.290 nan 0.000 0.543 130 F N 0.180 120.233 119.950 0.172 0.000 2.578 130 F HA 0.663 5.190 4.527 -0.000 0.000 0.311 130 F C -0.290 175.704 175.800 0.324 0.000 1.094 130 F CA -0.874 57.230 58.000 0.172 0.000 0.923 130 F CB 2.383 41.452 39.000 0.114 0.000 1.230 130 F HN 0.598 nan 8.300 nan 0.000 0.450 131 F N -0.385 119.851 119.950 0.477 0.000 2.645 131 F HA 0.842 5.369 4.527 -0.000 0.000 0.310 131 F C -1.432 174.495 175.800 0.213 0.000 1.102 131 F CA -1.434 56.709 58.000 0.239 0.000 0.952 131 F CB 1.911 40.849 39.000 -0.104 0.000 1.326 131 F HN 0.345 nan 8.300 nan 0.000 0.456 132 R N 1.525 122.183 120.500 0.263 0.000 2.483 132 R HA 0.374 4.714 4.340 -0.000 0.000 0.303 132 R C -1.495 174.860 176.300 0.091 0.000 0.987 132 R CA -0.691 55.453 56.100 0.073 0.000 0.881 132 R CB 2.045 32.171 30.300 -0.289 0.000 1.177 132 R HN 0.798 nan 8.270 nan 0.000 0.451 133 E N 4.087 124.428 120.200 0.235 0.000 2.256 133 E HA 0.275 4.625 4.350 -0.000 0.000 0.243 133 E C -0.710 175.992 176.600 0.169 0.000 0.925 133 E CA -0.199 56.348 56.400 0.246 0.000 0.748 133 E CB 1.299 31.228 29.700 0.382 0.000 1.206 133 E HN 0.369 nan 8.360 nan 0.000 0.428 134 I N 3.678 124.203 120.570 -0.075 0.000 2.355 134 I HA 0.252 4.422 4.170 -0.000 0.000 0.288 134 I C -0.327 175.637 176.117 -0.255 0.000 0.999 134 I CA -1.036 60.202 61.300 -0.103 0.000 1.163 134 I CB 1.238 39.152 38.000 -0.143 0.000 1.316 134 I HN 0.174 nan 8.210 nan 0.000 0.454 135 V N 3.010 122.793 119.914 -0.217 0.000 2.769 135 V HA 0.946 5.066 4.120 -0.000 0.000 0.312 135 V C -0.212 175.761 176.094 -0.202 0.000 1.061 135 V CA -0.682 61.343 62.300 -0.457 0.000 0.931 135 V CB 1.787 32.982 31.823 -1.047 0.000 1.010 135 V HN 0.735 nan 8.190 nan 0.000 0.433 136 A N 4.815 127.566 122.820 -0.115 0.000 2.763 136 A HA 0.833 5.152 4.320 -0.000 0.000 0.325 136 A C -2.749 174.998 177.584 0.271 0.000 1.209 136 A CA -1.498 50.590 52.037 0.085 0.000 0.764 136 A CB 0.764 19.781 19.000 0.028 0.000 1.120 136 A HN 0.737 nan 8.150 nan 0.000 0.463 137 P HA 0.331 nan 4.420 nan 0.000 0.284 137 P C -0.293 177.226 177.300 0.365 0.000 1.253 137 P CA -0.292 63.081 63.100 0.455 0.000 0.800 137 P CB 1.029 33.046 31.700 0.528 0.000 0.961 138 R N 1.393 122.080 120.500 0.312 0.000 2.707 138 R HA 0.303 4.642 4.340 -0.000 0.000 0.270 138 R C 1.786 178.286 176.300 0.334 0.000 1.083 138 R CA -0.160 56.101 56.100 0.268 0.000 1.182 138 R CB 0.033 30.443 30.300 0.183 0.000 1.084 138 R HN 0.487 nan 8.270 nan 0.000 0.528 139 A N 1.794 124.775 122.820 0.267 0.000 1.927 139 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 139 A C 1.792 179.324 177.584 -0.086 0.000 1.185 139 A CA 2.172 54.297 52.037 0.147 0.000 0.639 139 A CB -0.693 18.389 19.000 0.137 0.000 0.820 139 A HN 0.908 nan 8.150 nan 0.000 0.451 140 E N -0.672 119.534 120.200 0.010 0.000 2.478 140 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 140 E C 1.240 177.886 176.600 0.077 0.000 1.046 140 E CA 0.998 57.392 56.400 -0.011 0.000 0.870 140 E CB -0.201 29.511 29.700 0.020 0.000 0.818 140 E HN 0.780 nan 8.360 nan 0.000 0.527 141 Q N 0.175 120.072 119.800 0.162 0.000 2.179 141 Q HA 0.215 4.555 4.340 -0.000 0.000 0.213 141 Q C -0.834 175.431 176.000 0.441 0.000 0.833 141 Q CA -0.303 55.692 55.803 0.320 0.000 0.990 141 Q CB 0.422 29.317 28.738 0.262 0.000 1.132 141 Q HN 0.343 nan 8.270 nan 0.000 0.493 142 F N -0.687 119.306 119.950 0.073 0.000 2.613 142 F HA 0.678 5.205 4.527 -0.000 0.000 0.310 142 F C -1.100 174.444 175.800 -0.426 0.000 1.085 142 F CA -1.440 56.473 58.000 -0.146 0.000 0.945 142 F CB 1.301 40.318 39.000 0.029 0.000 1.298 142 F HN -0.177 nan 8.300 nan 0.000 0.455 143 E N 0.234 120.106 120.200 -0.546 0.000 2.312 143 E HA 0.706 5.056 4.350 -0.000 0.000 0.267 143 E C -1.305 175.235 176.600 -0.100 0.000 0.894 143 E CA -0.732 55.378 56.400 -0.483 0.000 0.773 143 E CB 1.994 31.252 29.700 -0.738 0.000 1.241 143 E HN 0.844 nan 8.360 nan 0.000 0.432 144 T N 0.268 114.775 114.554 -0.078 0.000 2.907 144 T HA 0.711 5.060 4.350 -0.000 0.000 0.292 144 T C -1.083 173.424 174.700 -0.322 0.000 1.043 144 T CA -0.960 61.063 62.100 -0.128 0.000 1.003 144 T CB 1.174 70.051 68.868 0.015 0.000 1.084 144 T HN 0.483 nan 8.240 nan 0.000 0.483 145 L N 2.175 123.012 121.223 -0.643 0.000 2.470 145 L HA 0.671 5.011 4.340 -0.000 0.000 0.268 145 L C -2.114 174.255 176.870 -0.836 0.000 0.964 145 L CA -0.681 53.785 54.840 -0.624 0.000 0.839 145 L CB 1.636 43.334 42.059 -0.602 0.000 1.276 145 L HN 0.842 nan 8.230 nan 0.000 0.403 146 Y N 3.025 123.182 120.300 -0.238 0.000 2.425 146 Y HA 0.651 5.200 4.550 -0.000 0.000 0.344 146 Y C 0.543 176.326 175.900 -0.196 0.000 0.969 146 Y CA -0.701 57.143 58.100 -0.426 0.000 1.052 146 Y CB 2.263 40.255 38.460 -0.781 0.000 1.215 146 Y HN 0.626 nan 8.280 nan 0.000 0.451 147 A N 3.793 126.633 122.820 0.034 0.000 2.532 147 A HA 0.512 4.832 4.320 -0.000 0.000 0.273 147 A C -0.710 177.219 177.584 0.575 0.000 1.342 147 A CA -0.022 52.226 52.037 0.353 0.000 0.929 147 A CB -1.105 18.147 19.000 0.421 0.000 1.051 147 A HN 0.602 nan 8.150 nan 0.000 0.521 148 F N -5.132 115.075 119.950 0.428 0.000 2.713 148 F HA 0.525 5.052 4.527 -0.000 0.000 0.311 148 F C 0.197 175.869 175.800 -0.213 0.000 1.141 148 F CA -1.003 57.036 58.000 0.064 0.000 0.939 148 F CB 0.882 39.904 39.000 0.037 0.000 1.325 148 F HN -0.106 nan 8.300 nan 0.000 0.453 149 Q N -0.224 119.392 119.800 -0.308 0.000 2.350 149 Q HA 0.138 4.478 4.340 -0.000 0.000 0.225 149 Q C -0.305 175.543 176.000 -0.253 0.000 0.878 149 Q CA 0.088 55.577 55.803 -0.524 0.000 0.935 149 Q CB 0.705 28.947 28.738 -0.827 0.000 1.099 149 Q HN 0.676 nan 8.270 nan 0.000 0.527 150 E N 0.712 120.872 120.200 -0.067 0.000 2.244 150 E HA 0.138 4.488 4.350 -0.000 0.000 0.266 150 E C -0.767 175.793 176.600 -0.067 0.000 0.914 150 E CA -0.538 55.804 56.400 -0.097 0.000 0.794 150 E CB 0.953 30.585 29.700 -0.114 0.000 1.210 150 E HN -0.046 nan 8.360 nan 0.000 0.414 151 D N 1.337 121.654 120.400 -0.139 0.000 2.735 151 D HA -0.168 4.472 4.640 -0.000 0.000 0.235 151 D C -0.189 175.997 176.300 -0.190 0.000 1.175 151 D CA 0.582 54.479 54.000 -0.172 0.000 0.683 151 D CB -1.280 39.419 40.800 -0.169 0.000 1.008 151 D HN 0.429 nan 8.370 nan 0.000 0.416 152 L N 0.484 121.553 121.223 -0.258 0.000 2.499 152 L HA 0.172 4.512 4.340 -0.000 0.000 0.273 152 L C -1.195 175.440 176.870 -0.391 0.000 1.195 152 L CA -0.896 53.720 54.840 -0.374 0.000 0.882 152 L CB -0.176 41.485 42.059 -0.664 0.000 1.133 152 L HN 0.001 nan 8.230 nan 0.000 0.483 153 P HA 0.402 nan 4.420 nan 0.000 0.287 153 P C 0.321 177.406 177.300 -0.358 0.000 1.296 153 P CA 0.130 63.009 63.100 -0.368 0.000 0.811 153 P CB 1.239 32.710 31.700 -0.382 0.000 1.211 154 G N -0.627 108.010 108.800 -0.271 0.000 2.564 154 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.273 154 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.273 154 G C 0.914 175.166 174.900 -1.079 0.000 1.242 154 G CA 0.160 44.983 45.100 -0.462 0.000 0.951 154 G HN 0.508 nan 8.290 nan 0.000 0.564 155 V N 1.980 121.253 119.914 -1.069 0.000 2.720 155 V HA 0.119 4.239 4.120 -0.000 0.000 0.256 155 V C 2.841 178.713 176.094 -0.370 0.000 1.082 155 V CA 3.077 64.893 62.300 -0.806 0.000 1.101 155 V CB -0.950 30.603 31.823 -0.450 0.000 0.693 155 V HN 1.719 nan 8.190 nan 0.000 0.479 156 G N -0.421 108.249 108.800 -0.217 0.000 2.450 156 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 156 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 156 G C 1.706 176.423 174.900 -0.304 0.000 1.130 156 G CA 0.874 45.877 45.100 -0.160 0.000 0.760 156 G HN 0.735 nan 8.290 nan 0.000 0.557 157 A N 0.340 122.888 122.820 -0.454 0.000 2.070 157 A HA 0.118 4.438 4.320 -0.000 0.000 0.220 157 A C 2.405 179.791 177.584 -0.330 0.000 1.159 157 A CA 1.997 53.726 52.037 -0.513 0.000 0.656 157 A CB -0.371 18.015 19.000 -1.024 0.000 0.800 157 A HN 0.982 nan 8.150 nan 0.000 0.453 158 V N -3.868 115.889 119.914 -0.261 0.000 3.621 158 V HA 0.347 4.467 4.120 -0.000 0.000 0.285 158 V C 0.722 176.772 176.094 -0.072 0.000 1.346 158 V CA -0.111 62.105 62.300 -0.140 0.000 1.104 158 V CB -0.875 30.891 31.823 -0.095 0.000 0.913 158 V HN 0.396 nan 8.190 nan 0.000 0.432 159 M N 0.706 120.263 119.600 -0.073 0.000 2.245 159 M HA 0.393 4.873 4.480 -0.000 0.000 0.292 159 M C 0.859 177.137 176.300 -0.037 0.000 1.176 159 M CA -0.411 54.886 55.300 -0.006 0.000 1.035 159 M CB 0.624 33.250 32.600 0.043 0.000 1.440 159 M HN 0.022 nan 8.290 nan 0.000 0.494 160 D N 0.166 120.559 120.400 -0.011 0.000 2.183 160 D HA 0.143 4.783 4.640 -0.000 0.000 0.203 160 D C 0.816 177.086 176.300 -0.049 0.000 0.969 160 D CA 0.966 54.950 54.000 -0.027 0.000 0.842 160 D CB 0.199 40.994 40.800 -0.008 0.000 0.957 160 D HN 0.780 nan 8.370 nan 0.000 0.484 161 G N -0.599 108.169 108.800 -0.053 0.000 2.325 161 G HA2 0.325 4.285 3.960 -0.000 0.000 0.295 161 G HA3 0.325 4.285 3.960 -0.000 0.000 0.295 161 G C -1.863 172.992 174.900 -0.075 0.000 1.274 161 G CA -0.789 44.265 45.100 -0.078 0.000 0.857 161 G HN 0.046 nan 8.290 nan 0.000 0.499 162 I N 1.351 121.868 120.570 -0.089 0.000 2.437 162 I HA 0.623 4.793 4.170 -0.000 0.000 0.298 162 I C 1.100 177.219 176.117 0.005 0.000 0.984 162 I CA -0.331 60.924 61.300 -0.075 0.000 1.214 162 I CB 1.728 39.623 38.000 -0.176 0.000 1.365 162 I HN 0.872 nan 8.210 nan 0.000 0.469 163 S N 4.889 120.643 115.700 0.091 0.000 2.617 163 S HA 0.643 5.113 4.470 -0.000 0.000 0.259 163 S C 0.492 175.240 174.600 0.247 0.000 1.301 163 S CA -0.243 58.043 58.200 0.144 0.000 0.984 163 S CB 0.526 63.818 63.200 0.153 0.000 0.954 163 S HN 0.889 nan 8.310 nan 0.000 0.572 164 G N -0.669 108.272 108.800 0.234 0.000 2.563 164 G HA2 0.319 4.279 3.960 -0.000 0.000 0.283 164 G HA3 0.319 4.279 3.960 -0.000 0.000 0.283 164 G C -0.539 174.558 174.900 0.328 0.000 1.309 164 G CA -0.870 44.426 45.100 0.327 0.000 1.022 164 G HN 0.823 nan 8.290 nan 0.000 0.501 165 E N -0.384 119.926 120.200 0.183 0.000 2.694 165 E HA -0.020 4.330 4.350 -0.000 0.000 0.250 165 E C 0.079 176.644 176.600 -0.057 0.000 0.963 165 E CA 0.382 56.701 56.400 -0.136 0.000 0.949 165 E CB 0.228 29.881 29.700 -0.079 0.000 0.911 165 E HN 0.354 nan 8.360 nan 0.000 0.500 166 I N 0.435 120.951 120.570 -0.091 0.000 2.566 166 I HA 0.177 4.347 4.170 -0.000 0.000 0.303 166 I C 1.025 177.186 176.117 0.073 0.000 0.983 166 I CA -0.393 60.912 61.300 0.009 0.000 1.235 166 I CB 1.095 39.102 38.000 0.011 0.000 1.386 166 I HN 0.314 nan 8.210 nan 0.000 0.494 167 N N 1.867 120.609 118.700 0.069 0.000 2.368 167 N HA -0.040 4.700 4.740 -0.000 0.000 0.176 167 N C 0.045 175.636 175.510 0.134 0.000 1.021 167 N CA 0.563 53.675 53.050 0.104 0.000 0.888 167 N CB 0.329 38.875 38.487 0.099 0.000 0.995 167 N HN 0.744 nan 8.380 nan 0.000 0.437 168 E N 0.601 120.844 120.200 0.072 0.000 2.122 168 E HA 0.112 4.462 4.350 -0.000 0.000 0.288 168 E C -0.857 175.672 176.600 -0.119 0.000 1.260 168 E CA -0.129 56.270 56.400 -0.002 0.000 1.344 168 E CB -0.003 29.694 29.700 -0.005 0.000 1.337 168 E HN 0.513 nan 8.360 nan 0.000 0.484 169 H N -2.666 116.261 119.070 -0.239 0.000 2.981 169 H HA 0.661 5.217 4.556 -0.000 0.000 0.327 169 H C 0.589 175.750 175.328 -0.279 0.000 1.342 169 H CA -0.744 55.082 56.048 -0.370 0.000 1.123 169 H CB 0.890 30.515 29.762 -0.229 0.000 1.851 169 H HN 0.145 nan 8.280 nan 0.000 0.531 170 G N -0.602 108.075 108.800 -0.205 0.000 2.159 170 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.227 170 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.227 170 G C -0.586 174.414 174.900 0.167 0.000 0.986 170 G CA 0.399 45.476 45.100 -0.039 0.000 0.651 170 G HN 1.154 nan 8.290 nan 0.000 0.523 171 Y N -3.603 116.636 120.300 -0.102 0.000 2.597 171 Y HA 0.660 5.210 4.550 -0.000 0.000 0.340 171 Y C -0.238 175.510 175.900 -0.254 0.000 1.097 171 Y CA -3.359 54.617 58.100 -0.207 0.000 1.037 171 Y CB 0.410 38.771 38.460 -0.164 0.000 1.305 171 Y HN 0.086 nan 8.280 nan 0.000 0.463 172 W N 2.070 123.480 121.300 0.183 0.000 2.308 172 W HA 0.443 5.103 4.660 -0.000 0.000 0.324 172 W C 1.032 177.623 176.519 0.119 0.000 1.387 172 W CA 1.221 58.605 57.345 0.065 0.000 1.250 172 W CB 0.744 30.197 29.460 -0.012 0.000 1.257 172 W HN 1.152 nan 8.180 nan 0.000 0.554 173 G N 0.514 109.466 108.800 0.253 0.000 2.195 173 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.224 173 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.224 173 G C 1.153 176.096 174.900 0.071 0.000 0.990 173 G CA 0.256 45.468 45.100 0.187 0.000 0.639 173 G HN 0.656 nan 8.290 nan 0.000 0.514 174 S N -0.215 115.358 115.700 -0.212 0.000 2.436 174 S HA 0.154 4.624 4.470 -0.000 0.000 0.228 174 S C 2.276 176.798 174.600 -0.130 0.000 1.014 174 S CA 1.400 59.336 58.200 -0.440 0.000 0.950 174 S CB -0.220 62.280 63.200 -1.166 0.000 0.784 174 S HN 0.730 nan 8.310 nan 0.000 0.504 175 M N 1.952 121.546 119.600 -0.010 0.000 2.067 175 M HA -0.126 4.354 4.480 -0.000 0.000 0.260 175 M C 2.532 178.990 176.300 0.263 0.000 1.069 175 M CA 1.859 57.228 55.300 0.116 0.000 1.117 175 M CB -0.281 32.414 32.600 0.157 0.000 1.334 175 M HN 0.385 nan 8.290 nan 0.000 0.407 176 R N 0.334 120.968 120.500 0.224 0.000 2.096 176 R HA -0.218 4.122 4.340 -0.000 0.000 0.240 176 R C 1.730 178.166 176.300 0.228 0.000 1.139 176 R CA 2.512 58.740 56.100 0.213 0.000 0.952 176 R CB -0.467 29.873 30.300 0.067 0.000 0.854 176 R HN 0.569 nan 8.270 nan 0.000 0.436 177 E N -0.403 119.863 120.200 0.109 0.000 2.333 177 E HA -0.151 4.198 4.350 -0.000 0.000 0.198 177 E C 1.992 178.614 176.600 0.037 0.000 1.007 177 E CA 0.774 57.206 56.400 0.054 0.000 0.845 177 E CB 0.076 29.802 29.700 0.044 0.000 0.766 177 E HN 0.387 nan 8.360 nan 0.000 0.507 178 R N -0.088 120.433 120.500 0.035 0.000 2.240 178 R HA 0.036 4.376 4.340 -0.000 0.000 0.203 178 R C 0.022 176.242 176.300 -0.133 0.000 1.011 178 R CA 0.065 56.122 56.100 -0.071 0.000 1.007 178 R CB 0.061 30.284 30.300 -0.130 0.000 0.911 178 R HN 0.038 nan 8.270 nan 0.000 0.468 179 F N 1.933 121.829 119.950 -0.090 0.000 2.502 179 F HA 0.121 4.648 4.527 -0.000 0.000 0.371 179 F C -1.301 174.427 175.800 -0.119 0.000 1.083 179 F CA -2.237 55.699 58.000 -0.107 0.000 1.174 179 F CB 0.805 39.758 39.000 -0.079 0.000 1.096 179 F HN -0.182 nan 8.300 nan 0.000 0.545 180 P HA -0.241 nan 4.420 nan 0.000 0.216 180 P C 2.045 179.335 177.300 -0.016 0.000 1.150 180 P CA 1.366 64.435 63.100 -0.052 0.000 0.843 180 P CB 0.184 31.815 31.700 -0.115 0.000 0.787 181 I N -0.377 120.212 120.570 0.032 0.000 2.700 181 I HA -0.199 3.971 4.170 -0.000 0.000 0.261 181 I C 1.769 177.861 176.117 -0.043 0.000 1.219 181 I CA 1.297 62.600 61.300 0.006 0.000 1.463 181 I CB -0.187 37.832 38.000 0.032 0.000 1.092 181 I HN 0.027 nan 8.210 nan 0.000 0.452 182 S N -0.387 115.295 115.700 -0.030 0.000 2.547 182 S HA -0.199 4.271 4.470 -0.000 0.000 0.235 182 S C 1.690 176.188 174.600 -0.170 0.000 0.980 182 S CA 0.717 58.849 58.200 -0.114 0.000 0.941 182 S CB -0.285 62.884 63.200 -0.052 0.000 0.763 182 S HN 0.584 nan 8.310 nan 0.000 0.532 183 Q N 0.773 120.502 119.800 -0.118 0.000 2.224 183 Q HA -0.047 4.292 4.340 -0.000 0.000 0.203 183 Q C 2.059 177.968 176.000 -0.152 0.000 0.970 183 Q CA 1.758 57.487 55.803 -0.124 0.000 0.865 183 Q CB -0.072 28.616 28.738 -0.084 0.000 0.922 183 Q HN 0.961 nan 8.270 nan 0.000 0.445 184 T N -4.665 109.799 114.554 -0.150 0.000 2.992 184 T HA 0.112 4.462 4.350 -0.000 0.000 0.255 184 T C 0.153 174.753 174.700 -0.167 0.000 0.938 184 T CA -0.426 61.590 62.100 -0.139 0.000 0.895 184 T CB 0.525 69.349 68.868 -0.073 0.000 1.221 184 T HN -0.079 nan 8.240 nan 0.000 0.512 185 D N -0.743 119.555 120.400 -0.170 0.000 2.248 185 D HA 0.305 4.944 4.640 -0.000 0.000 0.246 185 D C -0.690 175.507 176.300 -0.172 0.000 1.027 185 D CA -0.707 53.225 54.000 -0.113 0.000 0.853 185 D CB 1.883 42.661 40.800 -0.037 0.000 1.243 185 D HN 0.262 nan 8.370 nan 0.000 0.462 186 W N 2.628 123.903 121.300 -0.042 0.000 3.047 186 W HA 0.158 4.818 4.660 -0.000 0.000 0.250 186 W C 1.397 177.861 176.519 -0.091 0.000 1.314 186 W CA -0.217 57.094 57.345 -0.057 0.000 1.540 186 W CB -0.003 29.434 29.460 -0.039 0.000 1.127 186 W HN 0.420 nan 8.180 nan 0.000 0.679 187 M N 0.928 120.584 119.600 0.094 0.000 2.503 187 M HA -0.288 4.192 4.480 -0.000 0.000 0.199 187 M C -0.143 176.173 176.300 0.028 0.000 0.466 187 M CA 0.506 55.800 55.300 -0.010 0.000 0.510 187 M CB -1.212 31.279 32.600 -0.182 0.000 1.858 187 M HN -0.110 nan 8.290 nan 0.000 0.799 188 Q N 0.385 120.238 119.800 0.088 0.000 2.364 188 Q HA 0.556 4.896 4.340 -0.000 0.000 0.267 188 Q C 0.311 176.352 176.000 0.070 0.000 0.999 188 Q CA 0.582 56.423 55.803 0.063 0.000 0.886 188 Q CB 0.850 29.619 28.738 0.051 0.000 1.243 188 Q HN 0.490 nan 8.270 nan 0.000 0.415 189 A N 1.966 124.830 122.820 0.075 0.000 2.316 189 A HA 0.669 4.989 4.320 -0.000 0.000 0.284 189 A C -0.377 177.257 177.584 0.083 0.000 1.115 189 A CA -0.167 51.952 52.037 0.137 0.000 0.812 189 A CB 0.537 19.649 19.000 0.188 0.000 1.064 189 A HN 0.786 nan 8.150 nan 0.000 0.489 190 S N 0.061 115.826 115.700 0.109 0.000 2.550 190 S HA 0.854 5.324 4.470 -0.000 0.000 0.270 190 S C -0.112 174.493 174.600 0.007 0.000 1.145 190 S CA -0.093 58.124 58.200 0.028 0.000 0.852 190 S CB 0.952 64.180 63.200 0.048 0.000 1.119 190 S HN 2.747 nan 8.310 nan 0.000 0.465 191 G N 1.174 109.940 108.800 -0.057 0.000 2.756 191 G HA2 0.171 4.131 3.960 -0.000 0.000 0.678 191 G HA3 0.171 4.131 3.960 -0.000 0.000 0.678 191 G C -1.262 173.504 174.900 -0.223 0.000 1.349 191 G CA -0.404 44.668 45.100 -0.046 0.000 0.847 191 G HN 0.979 nan 8.290 nan 0.000 0.548 192 E N -1.285 118.872 120.200 -0.073 0.000 2.281 192 E HA 0.667 5.017 4.350 -0.000 0.000 0.262 192 E C -0.209 176.462 176.600 0.118 0.000 0.933 192 E CA -1.023 55.340 56.400 -0.062 0.000 0.809 192 E CB 1.944 31.623 29.700 -0.036 0.000 1.242 192 E HN 0.670 nan 8.360 nan 0.000 0.418 193 L N 1.950 123.234 121.223 0.101 0.000 2.315 193 L HA 0.316 4.656 4.340 -0.000 0.000 0.283 193 L C -0.884 175.958 176.870 -0.046 0.000 1.089 193 L CA 0.498 55.339 54.840 0.002 0.000 0.833 193 L CB -0.123 41.730 42.059 -0.342 0.000 1.170 193 L HN 0.413 nan 8.230 nan 0.000 0.442 194 R N 3.447 123.947 120.500 0.001 0.000 2.561 194 R HA 0.564 4.904 4.340 -0.000 0.000 0.297 194 R C -1.162 175.141 176.300 0.006 0.000 0.969 194 R CA -1.002 55.096 56.100 -0.003 0.000 0.879 194 R CB 1.891 32.204 30.300 0.022 0.000 1.178 194 R HN 0.332 nan 8.270 nan 0.000 0.445 195 V N 4.864 124.770 119.914 -0.013 0.000 2.521 195 V HA 0.039 4.158 4.120 -0.000 0.000 0.286 195 V C 1.288 177.395 176.094 0.021 0.000 1.034 195 V CA 0.369 62.671 62.300 0.003 0.000 1.045 195 V CB 0.437 32.248 31.823 -0.020 0.000 0.974 195 V HN 0.796 nan 8.190 nan 0.000 0.480 196 I N 2.093 122.688 120.570 0.041 0.000 4.139 196 I HA 0.744 4.914 4.170 -0.000 0.000 0.335 196 I C 0.636 176.778 176.117 0.040 0.000 1.327 196 I CA 0.132 61.456 61.300 0.041 0.000 1.112 196 I CB 0.496 38.526 38.000 0.050 0.000 1.058 196 I HN 0.506 nan 8.210 nan 0.000 0.396 197 A N 0.828 123.675 122.820 0.045 0.000 2.517 197 A HA 0.750 5.070 4.320 -0.000 0.000 0.297 197 A C 0.128 177.735 177.584 0.039 0.000 1.050 197 A CA -0.108 51.954 52.037 0.042 0.000 0.694 197 A CB 0.536 19.568 19.000 0.053 0.000 1.277 197 A HN 0.979 nan 8.150 nan 0.000 0.400 198 G N 0.674 109.488 108.800 0.024 0.000 2.693 198 G HA2 0.294 4.254 3.960 -0.000 0.000 0.226 198 G HA3 0.294 4.254 3.960 -0.000 0.000 0.226 198 G C -0.640 174.262 174.900 0.005 0.000 1.354 198 G CA 0.525 45.635 45.100 0.017 0.000 0.873 198 G HN 1.937 nan 8.290 nan 0.000 0.562 199 D N -0.704 119.694 120.400 -0.003 0.000 2.763 199 D HA 0.611 5.251 4.640 -0.000 0.000 0.235 199 D C -1.288 174.994 176.300 -0.029 0.000 1.334 199 D CA -1.317 52.672 54.000 -0.018 0.000 0.950 199 D CB 1.804 42.594 40.800 -0.017 0.000 1.433 199 D HN 0.091 nan 8.370 nan 0.000 0.580 200 P HA -0.103 nan 4.420 nan 0.000 0.216 200 P C 1.093 178.356 177.300 -0.061 0.000 1.150 200 P CA 1.497 64.547 63.100 -0.082 0.000 0.843 200 P CB 0.227 31.849 31.700 -0.130 0.000 0.787 201 A N -0.752 122.040 122.820 -0.048 0.000 1.933 201 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 201 A C 2.306 179.879 177.584 -0.019 0.000 1.175 201 A CA 1.810 53.827 52.037 -0.033 0.000 0.628 201 A CB -1.598 17.384 19.000 -0.029 0.000 0.814 201 A HN 0.062 nan 8.150 nan 0.000 0.444 202 V N -1.345 118.559 119.914 -0.017 0.000 2.407 202 V HA 0.296 4.416 4.120 -0.000 0.000 0.245 202 V C 1.713 177.805 176.094 -0.004 0.000 1.041 202 V CA 1.358 63.653 62.300 -0.008 0.000 1.040 202 V CB -1.343 30.476 31.823 -0.008 0.000 0.671 202 V HN 1.195 nan 8.190 nan 0.000 0.455 203 G N -1.484 107.312 108.800 -0.007 0.000 2.418 203 G HA2 0.363 4.322 3.960 -0.000 0.000 0.206 203 G HA3 0.363 4.322 3.960 -0.000 0.000 0.206 203 G C 0.504 175.408 174.900 0.007 0.000 1.202 203 G CA -0.374 44.727 45.100 0.002 0.000 1.061 203 G HN 1.586 nan 8.290 nan 0.000 0.563 204 G N -0.126 108.680 108.800 0.010 0.000 2.574 204 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.286 204 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.286 204 G C 0.274 175.182 174.900 0.012 0.000 1.212 204 G CA 1.042 46.142 45.100 0.001 0.000 0.979 204 G HN 1.373 nan 8.290 nan 0.000 0.557 205 R N -0.247 120.253 120.500 -0.001 0.000 2.221 205 R HA 0.524 4.864 4.340 -0.000 0.000 0.327 205 R C -0.540 175.796 176.300 0.061 0.000 1.033 205 R CA -0.385 55.727 56.100 0.020 0.000 0.887 205 R CB 1.459 31.747 30.300 -0.021 0.000 1.057 205 R HN 0.428 nan 8.270 nan 0.000 0.455 206 V N 3.677 123.666 119.914 0.125 0.000 2.588 206 V HA 0.368 4.488 4.120 -0.000 0.000 0.304 206 V C -0.342 175.884 176.094 0.221 0.000 1.042 206 V CA -0.927 61.452 62.300 0.132 0.000 0.877 206 V CB 2.145 34.017 31.823 0.081 0.000 0.996 206 V HN 0.409 nan 8.190 nan 0.000 0.425 207 V N 5.072 125.087 119.914 0.168 0.000 2.378 207 V HA 0.493 4.613 4.120 -0.000 0.000 0.288 207 V C -0.228 175.967 176.094 0.167 0.000 1.016 207 V CA -0.544 61.873 62.300 0.194 0.000 0.840 207 V CB 1.880 33.790 31.823 0.145 0.000 0.994 207 V HN 0.644 nan 8.190 nan 0.000 0.431 208 V N 5.150 125.204 119.914 0.232 0.000 2.435 208 V HA 0.534 4.653 4.120 -0.000 0.000 0.290 208 V C 0.118 176.347 176.094 0.225 0.000 1.030 208 V CA -0.837 61.575 62.300 0.186 0.000 0.881 208 V CB 1.875 33.788 31.823 0.151 0.000 0.983 208 V HN 0.880 nan 8.190 nan 0.000 0.445 209 R N 2.970 123.563 120.500 0.155 0.000 2.265 209 R HA 0.610 4.950 4.340 -0.000 0.000 0.319 209 R C 0.317 176.734 176.300 0.194 0.000 1.006 209 R CA 0.084 56.275 56.100 0.152 0.000 0.880 209 R CB 1.075 31.437 30.300 0.103 0.000 1.077 209 R HN 0.904 nan 8.270 nan 0.000 0.454 210 G N 2.135 111.086 108.800 0.252 0.000 2.562 210 G HA2 0.299 4.258 3.960 -0.000 0.000 0.275 210 G HA3 0.299 4.258 3.960 -0.000 0.000 0.275 210 G C -0.870 174.154 174.900 0.207 0.000 1.196 210 G CA -0.535 44.724 45.100 0.265 0.000 0.908 210 G HN 0.856 nan 8.290 nan 0.000 0.524 211 H N -1.733 117.473 119.070 0.227 0.000 2.693 211 H HA 0.579 5.135 4.556 -0.000 0.000 0.348 211 H C -0.726 174.729 175.328 0.212 0.000 1.222 211 H CA -1.123 55.035 56.048 0.184 0.000 1.270 211 H CB 0.652 30.508 29.762 0.157 0.000 1.798 211 H HN 0.227 nan 8.280 nan 0.000 0.592 212 D N 0.808 121.412 120.400 0.340 0.000 2.472 212 D HA -0.011 4.629 4.640 -0.000 0.000 0.237 212 D C 0.132 176.589 176.300 0.261 0.000 1.141 212 D CA 0.533 54.684 54.000 0.252 0.000 0.875 212 D CB -0.025 40.892 40.800 0.196 0.000 1.192 212 D HN 0.595 nan 8.370 nan 0.000 0.450 213 N N 0.910 119.705 118.700 0.159 0.000 2.727 213 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 213 N C -0.294 175.260 175.510 0.073 0.000 1.048 213 N CA 0.441 53.535 53.050 0.073 0.000 0.714 213 N CB -1.215 37.303 38.487 0.050 0.000 0.959 213 N HN 0.510 nan 8.380 nan 0.000 0.544 214 I N 0.379 120.994 120.570 0.075 0.000 2.696 214 I HA 0.161 4.331 4.170 -0.000 0.000 0.284 214 I C 1.074 177.202 176.117 0.018 0.000 1.129 214 I CA 0.016 61.384 61.300 0.112 0.000 1.410 214 I CB 0.712 38.851 38.000 0.231 0.000 1.399 214 I HN 0.266 nan 8.210 nan 0.000 0.579 215 A N 7.061 129.930 122.820 0.080 0.000 2.330 215 A HA 0.720 5.040 4.320 -0.000 0.000 0.327 215 A C -1.096 176.584 177.584 0.160 0.000 1.155 215 A CA -0.473 51.556 52.037 -0.013 0.000 0.803 215 A CB 1.305 20.289 19.000 -0.027 0.000 1.208 215 A HN 0.565 nan 8.150 nan 0.000 0.477 216 L N 3.302 124.594 121.223 0.115 0.000 2.349 216 L HA 0.736 5.076 4.340 -0.000 0.000 0.278 216 L C -0.957 175.991 176.870 0.130 0.000 0.996 216 L CA -0.399 54.532 54.840 0.152 0.000 0.825 216 L CB 1.224 43.480 42.059 0.328 0.000 1.243 216 L HN 0.682 nan 8.230 nan 0.000 0.412 217 I N 4.984 125.619 120.570 0.108 0.000 2.404 217 I HA 0.531 4.701 4.170 -0.000 0.000 0.293 217 I C -0.807 175.392 176.117 0.137 0.000 0.992 217 I CA -0.612 60.734 61.300 0.076 0.000 1.149 217 I CB 0.820 38.813 38.000 -0.011 0.000 1.315 217 I HN 0.805 nan 8.210 nan 0.000 0.446 218 R N 5.714 126.315 120.500 0.168 0.000 2.337 218 R HA 0.409 4.749 4.340 -0.000 0.000 0.319 218 R C -1.453 174.922 176.300 0.124 0.000 0.954 218 R CA -0.290 55.951 56.100 0.236 0.000 0.840 218 R CB 1.436 31.908 30.300 0.287 0.000 1.164 218 R HN 0.663 nan 8.270 nan 0.000 0.472 219 S N 2.726 118.510 115.700 0.140 0.000 2.566 219 S HA 0.608 5.078 4.470 -0.000 0.000 0.324 219 S C -0.473 174.130 174.600 0.005 0.000 1.081 219 S CA -0.476 57.743 58.200 0.032 0.000 1.105 219 S CB 1.293 64.588 63.200 0.158 0.000 0.981 219 S HN 0.790 nan 8.310 nan 0.000 0.464 220 G N 2.876 111.379 108.800 -0.494 0.000 2.489 220 G HA2 0.671 4.631 3.960 -0.000 0.000 0.327 220 G HA3 0.671 4.631 3.960 -0.000 0.000 0.327 220 G C -1.689 173.285 174.900 0.124 0.000 1.189 220 G CA -0.684 44.291 45.100 -0.208 0.000 0.962 220 G HN 0.578 nan 8.290 nan 0.000 0.486 221 Q N 0.074 120.113 119.800 0.398 0.000 2.285 221 Q HA 0.473 4.813 4.340 -0.000 0.000 0.269 221 Q C -1.645 174.605 176.000 0.416 0.000 1.030 221 Q CA -0.718 55.274 55.803 0.316 0.000 0.788 221 Q CB 2.897 31.710 28.738 0.126 0.000 1.266 221 Q HN 0.539 nan 8.270 nan 0.000 0.438 222 D N 1.581 122.159 120.400 0.296 0.000 2.542 222 D HA 0.330 4.970 4.640 -0.000 0.000 0.252 222 D C -1.046 175.343 176.300 0.148 0.000 1.222 222 D CA -0.729 53.362 54.000 0.151 0.000 0.895 222 D CB 0.538 41.348 40.800 0.016 0.000 1.207 222 D HN 0.736 nan 8.370 nan 0.000 0.558 223 W N 3.630 124.872 121.300 -0.097 0.000 2.684 223 W HA 0.576 5.236 4.660 -0.000 0.000 0.381 223 W C 0.955 177.467 176.519 -0.011 0.000 0.975 223 W CA 0.018 57.326 57.345 -0.062 0.000 1.789 223 W CB -0.247 29.185 29.460 -0.046 0.000 1.161 223 W HN 0.331 nan 8.180 nan 0.000 0.564 224 A N 1.474 124.082 122.820 -0.353 0.000 1.892 224 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 224 A C 1.606 179.115 177.584 -0.125 0.000 1.188 224 A CA 2.375 54.225 52.037 -0.312 0.000 0.631 224 A CB -0.673 18.157 19.000 -0.284 0.000 0.822 224 A HN 0.297 nan 8.150 nan 0.000 0.447 225 D N -0.636 119.713 120.400 -0.084 0.000 2.340 225 D HA 0.395 5.035 4.640 -0.000 0.000 0.217 225 D C 0.565 176.862 176.300 -0.004 0.000 1.081 225 D CA 0.635 54.607 54.000 -0.048 0.000 0.842 225 D CB -0.004 40.754 40.800 -0.070 0.000 0.934 225 D HN 0.449 nan 8.370 nan 0.000 0.511 226 A N 0.979 123.822 122.820 0.039 0.000 2.407 226 A HA 0.147 4.467 4.320 -0.000 0.000 0.248 226 A C 0.867 178.496 177.584 0.075 0.000 1.082 226 A CA -0.258 51.824 52.037 0.075 0.000 0.785 226 A CB 0.763 19.848 19.000 0.143 0.000 1.020 226 A HN -0.102 nan 8.150 nan 0.000 0.489 227 E N 0.594 120.831 120.200 0.060 0.000 2.391 227 E HA 0.255 4.605 4.350 -0.000 0.000 0.255 227 E C 1.591 178.236 176.600 0.075 0.000 1.187 227 E CA 0.490 56.923 56.400 0.055 0.000 0.941 227 E CB 0.486 30.208 29.700 0.038 0.000 1.010 227 E HN 0.696 nan 8.360 nan 0.000 0.458 228 A N 2.156 125.016 122.820 0.066 0.000 1.903 228 A HA -0.285 4.034 4.320 -0.000 0.000 0.219 228 A C 1.618 179.245 177.584 0.072 0.000 1.191 228 A CA 2.539 54.619 52.037 0.073 0.000 0.638 228 A CB -0.712 18.321 19.000 0.055 0.000 0.823 228 A HN 0.727 nan 8.150 nan 0.000 0.451 229 D N -0.292 120.142 120.400 0.056 0.000 2.144 229 D HA -0.183 4.456 4.640 -0.000 0.000 0.199 229 D C 1.553 177.888 176.300 0.059 0.000 0.984 229 D CA 1.634 55.662 54.000 0.047 0.000 0.834 229 D CB -0.813 40.006 40.800 0.032 0.000 0.955 229 D HN 0.668 nan 8.370 nan 0.000 0.465 230 E N 0.022 120.265 120.200 0.072 0.000 2.216 230 E HA -0.003 4.347 4.350 -0.000 0.000 0.192 230 E C 2.336 179.022 176.600 0.143 0.000 0.988 230 E CA 0.139 56.594 56.400 0.093 0.000 0.834 230 E CB 0.056 29.807 29.700 0.086 0.000 0.772 230 E HN 0.311 nan 8.360 nan 0.000 0.479 231 R N 0.502 121.096 120.500 0.157 0.000 2.075 231 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 231 R C 2.524 178.897 176.300 0.121 0.000 1.126 231 R CA 1.262 57.484 56.100 0.204 0.000 0.963 231 R CB -0.086 30.357 30.300 0.239 0.000 0.858 231 R HN -0.018 nan 8.270 nan 0.000 0.435 232 S N 1.262 117.012 115.700 0.084 0.000 2.355 232 S HA -0.083 4.386 4.470 -0.000 0.000 0.222 232 S C 1.796 176.410 174.600 0.022 0.000 1.031 232 S CA 0.691 58.915 58.200 0.041 0.000 0.993 232 S CB -0.281 62.941 63.200 0.036 0.000 0.859 232 S HN 0.236 nan 8.310 nan 0.000 0.453 233 L N 0.728 121.979 121.223 0.048 0.000 1.978 233 L HA -0.216 4.124 4.340 -0.000 0.000 0.218 233 L C 2.174 179.073 176.870 0.048 0.000 1.075 233 L CA 2.342 57.210 54.840 0.047 0.000 0.767 233 L CB -1.126 40.972 42.059 0.065 0.000 0.890 233 L HN 0.394 nan 8.230 nan 0.000 0.434 234 Y N 0.262 120.539 120.300 -0.040 0.000 2.114 234 Y HA -0.233 4.316 4.550 -0.000 0.000 0.284 234 Y C 2.554 178.358 175.900 -0.160 0.000 1.143 234 Y CA 2.004 60.046 58.100 -0.096 0.000 1.135 234 Y CB -0.427 37.941 38.460 -0.154 0.000 0.980 234 Y HN 0.176 nan 8.280 nan 0.000 0.499 235 L N -0.395 120.623 121.223 -0.343 0.000 2.179 235 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 235 L C 1.760 178.482 176.870 -0.246 0.000 1.096 235 L CA 1.193 55.796 54.840 -0.396 0.000 0.779 235 L CB -0.338 41.600 42.059 -0.202 0.000 0.922 235 L HN 0.180 nan 8.230 nan 0.000 0.443 236 D N -0.825 119.488 120.400 -0.146 0.000 2.259 236 D HA -0.066 4.574 4.640 -0.000 0.000 0.216 236 D C 2.054 178.301 176.300 -0.088 0.000 0.961 236 D CA 0.762 54.708 54.000 -0.090 0.000 0.878 236 D CB 0.213 40.989 40.800 -0.041 0.000 1.009 236 D HN 0.220 nan 8.370 nan 0.000 0.490 237 E N 0.088 120.236 120.200 -0.086 0.000 2.251 237 E HA 0.147 4.497 4.350 -0.000 0.000 0.194 237 E C 2.269 178.831 176.600 -0.065 0.000 0.964 237 E CA 0.151 56.520 56.400 -0.053 0.000 0.868 237 E CB 0.799 30.489 29.700 -0.017 0.000 0.828 237 E HN 0.308 nan 8.360 nan 0.000 0.481 238 I N 0.344 120.838 120.570 -0.127 0.000 2.681 238 I HA -0.105 4.064 4.170 -0.000 0.000 0.247 238 I C 2.291 178.282 176.117 -0.211 0.000 1.091 238 I CA 0.094 61.327 61.300 -0.111 0.000 1.442 238 I CB -0.074 37.932 38.000 0.010 0.000 1.219 238 I HN 0.015 nan 8.210 nan 0.000 0.451 239 L N 2.681 123.606 121.223 -0.498 0.000 2.013 239 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 239 L C -0.638 176.148 176.870 -0.139 0.000 1.073 239 L CA 2.589 57.182 54.840 -0.413 0.000 0.753 239 L CB -1.766 39.913 42.059 -0.632 0.000 0.890 239 L HN 0.056 nan 8.230 nan 0.000 0.432 240 P HA -0.163 nan 4.420 nan 0.000 0.215 240 P C 1.802 179.100 177.300 -0.004 0.000 1.153 240 P CA 2.222 65.300 63.100 -0.037 0.000 0.853 240 P CB -0.278 31.400 31.700 -0.037 0.000 0.788 241 T N -2.085 112.463 114.554 -0.009 0.000 2.978 241 T HA -0.046 4.304 4.350 -0.000 0.000 0.262 241 T C 1.695 176.426 174.700 0.051 0.000 1.063 241 T CA 0.399 62.514 62.100 0.025 0.000 1.140 241 T CB -0.817 68.062 68.868 0.018 0.000 0.886 241 T HN -0.152 nan 8.240 nan 0.000 0.470 242 L N 1.531 122.767 121.223 0.021 0.000 2.012 242 L HA 0.023 4.363 4.340 -0.000 0.000 0.210 242 L C 2.634 179.437 176.870 -0.112 0.000 1.073 242 L CA 2.385 57.224 54.840 -0.002 0.000 0.748 242 L CB -1.317 40.740 42.059 -0.003 0.000 0.891 242 L HN 0.329 nan 8.230 nan 0.000 0.431 243 Q N -0.496 119.265 119.800 -0.066 0.000 2.045 243 Q HA -0.214 4.125 4.340 -0.000 0.000 0.206 243 Q C 2.324 178.353 176.000 0.048 0.000 0.991 243 Q CA 2.539 58.348 55.803 0.010 0.000 0.851 243 Q CB -0.598 28.218 28.738 0.131 0.000 0.911 243 Q HN 0.591 nan 8.270 nan 0.000 0.418 244 S N -0.550 115.197 115.700 0.079 0.000 2.365 244 S HA -0.173 4.296 4.470 -0.000 0.000 0.225 244 S C 1.766 176.487 174.600 0.202 0.000 1.039 244 S CA 1.227 59.504 58.200 0.128 0.000 1.033 244 S CB -0.984 62.283 63.200 0.112 0.000 0.887 244 S HN 0.722 nan 8.310 nan 0.000 0.447 245 G N 1.494 110.430 108.800 0.227 0.000 2.418 245 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 245 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 245 G C 1.349 176.397 174.900 0.246 0.000 1.158 245 G CA 0.914 46.256 45.100 0.404 0.000 0.771 245 G HN 0.323 nan 8.290 nan 0.000 0.545 246 M N 1.005 120.623 119.600 0.029 0.000 2.117 246 M HA -0.009 4.471 4.480 -0.000 0.000 0.262 246 M C 2.021 178.320 176.300 -0.002 0.000 1.065 246 M CA 0.972 56.219 55.300 -0.089 0.000 1.114 246 M CB -1.071 31.360 32.600 -0.282 0.000 1.361 246 M HN 0.089 nan 8.290 nan 0.000 0.408 247 D N 0.091 120.534 120.400 0.073 0.000 2.123 247 D HA -0.175 4.464 4.640 -0.000 0.000 0.196 247 D C 1.798 178.147 176.300 0.082 0.000 0.992 247 D CA 1.075 55.129 54.000 0.089 0.000 0.833 247 D CB -0.472 40.401 40.800 0.121 0.000 0.954 247 D HN 0.325 nan 8.370 nan 0.000 0.455 248 F N 1.180 121.136 119.950 0.010 0.000 2.095 248 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 248 F C 2.093 177.820 175.800 -0.121 0.000 1.104 248 F CA 1.242 59.239 58.000 -0.005 0.000 1.232 248 F CB -0.245 38.800 39.000 0.076 0.000 0.987 248 F HN -0.094 nan 8.300 nan 0.000 0.475 249 L N -0.062 121.034 121.223 -0.212 0.000 2.093 249 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 249 L C 2.696 179.327 176.870 -0.398 0.000 1.085 249 L CA 1.324 55.886 54.840 -0.464 0.000 0.755 249 L CB -0.764 40.984 42.059 -0.519 0.000 0.904 249 L HN 0.127 nan 8.230 nan 0.000 0.435 250 R N 0.298 120.653 120.500 -0.241 0.000 2.092 250 R HA -0.154 4.186 4.340 -0.000 0.000 0.231 250 R C 1.144 177.336 176.300 -0.181 0.000 1.119 250 R CA 1.737 57.734 56.100 -0.171 0.000 0.970 250 R CB 0.062 30.323 30.300 -0.064 0.000 0.864 250 R HN 0.358 nan 8.270 nan 0.000 0.440 251 D N -0.911 119.367 120.400 -0.203 0.000 2.389 251 D HA 0.051 4.690 4.640 -0.000 0.000 0.206 251 D C 0.204 176.345 176.300 -0.264 0.000 1.055 251 D CA 0.315 54.209 54.000 -0.177 0.000 0.856 251 D CB 0.354 41.095 40.800 -0.099 0.000 0.957 251 D HN 0.228 nan 8.370 nan 0.000 0.509 252 N N 0.377 118.801 118.700 -0.459 0.000 2.365 252 N HA 0.090 4.829 4.740 -0.000 0.000 0.257 252 N C 1.499 176.709 175.510 -0.501 0.000 1.287 252 N CA -0.055 52.673 53.050 -0.537 0.000 0.882 252 N CB 1.619 39.550 38.487 -0.927 0.000 1.250 252 N HN 0.018 nan 8.380 nan 0.000 0.507 253 G N 3.022 111.572 108.800 -0.417 0.000 2.631 253 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.219 253 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.219 253 G C -0.805 173.924 174.900 -0.285 0.000 1.214 253 G CA 1.102 45.966 45.100 -0.393 0.000 0.785 253 G HN 0.273 nan 8.290 nan 0.000 0.596 254 P HA -0.008 nan 4.420 nan 0.000 0.218 254 P C 2.049 179.298 177.300 -0.084 0.000 1.148 254 P CA 1.851 64.889 63.100 -0.102 0.000 0.822 254 P CB -0.206 31.450 31.700 -0.074 0.000 0.784 255 A N -0.583 122.174 122.820 -0.104 0.000 2.070 255 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 255 A C 1.925 179.513 177.584 0.007 0.000 1.159 255 A CA 2.110 54.121 52.037 -0.043 0.000 0.656 255 A CB -1.227 17.747 19.000 -0.045 0.000 0.800 255 A HN 0.252 nan 8.150 nan 0.000 0.453 256 V N -5.998 113.899 119.914 -0.028 0.000 3.502 256 V HA 0.595 4.715 4.120 -0.000 0.000 0.288 256 V C 1.137 177.287 176.094 0.092 0.000 1.461 256 V CA 0.620 62.975 62.300 0.091 0.000 1.029 256 V CB -0.444 31.502 31.823 0.204 0.000 0.843 256 V HN 1.470 nan 8.190 nan 0.000 0.438 257 G N 0.144 108.895 108.800 -0.081 0.000 2.140 257 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.211 257 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.211 257 G C 0.038 174.684 174.900 -0.424 0.000 1.013 257 G CA 0.016 45.035 45.100 -0.135 0.000 0.705 257 G HN 1.101 nan 8.290 nan 0.000 0.508 258 C N 1.572 120.425 119.300 -0.745 0.000 2.203 258 C HA 0.678 5.138 4.460 -0.000 0.000 0.325 258 C C 1.898 176.527 174.990 -0.602 0.000 1.156 258 C CA -0.950 57.335 59.018 -1.222 0.000 1.597 258 C CB -1.336 25.343 27.740 -1.767 0.000 2.148 258 C HN 0.365 nan 8.230 nan 0.000 0.472 259 Y N 3.096 123.151 120.300 -0.410 0.000 2.165 259 Y HA 0.024 4.574 4.550 -0.000 0.000 0.286 259 Y C 1.879 177.595 175.900 -0.307 0.000 1.155 259 Y CA 1.736 59.667 58.100 -0.281 0.000 1.164 259 Y CB -0.328 38.011 38.460 -0.201 0.000 0.978 259 Y HN 0.670 nan 8.280 nan 0.000 0.513 260 S N -0.619 114.990 115.700 -0.151 0.000 2.572 260 S HA 0.461 4.931 4.470 -0.000 0.000 0.274 260 S C -1.554 172.935 174.600 -0.185 0.000 1.150 260 S CA -0.830 57.274 58.200 -0.159 0.000 0.944 260 S CB 0.899 64.018 63.200 -0.134 0.000 1.071 260 S HN 0.277 nan 8.310 nan 0.000 0.479 261 N N 2.480 121.063 118.700 -0.195 0.000 2.399 261 N HA 0.554 5.293 4.740 -0.000 0.000 0.284 261 N C -1.323 174.128 175.510 -0.098 0.000 1.025 261 N CA -0.515 52.432 53.050 -0.171 0.000 0.885 261 N CB 1.123 39.451 38.487 -0.265 0.000 1.339 261 N HN 0.578 nan 8.380 nan 0.000 0.487 262 R N 2.203 122.659 120.500 -0.073 0.000 2.599 262 R HA 0.457 4.796 4.340 -0.000 0.000 0.295 262 R C -1.445 174.850 176.300 -0.009 0.000 0.963 262 R CA -0.764 55.235 56.100 -0.169 0.000 0.883 262 R CB 1.637 31.728 30.300 -0.350 0.000 1.171 262 R HN 0.380 nan 8.270 nan 0.000 0.450 263 F N 4.408 124.243 119.950 -0.192 0.000 2.382 263 F HA 0.414 4.941 4.527 -0.000 0.000 0.361 263 F C -0.638 175.110 175.800 -0.085 0.000 1.109 263 F CA -1.255 56.703 58.000 -0.071 0.000 1.031 263 F CB 1.159 40.168 39.000 0.015 0.000 1.234 263 F HN 0.261 nan 8.300 nan 0.000 0.445 264 V N 3.972 123.733 119.914 -0.254 0.000 2.769 264 V HA 0.741 4.861 4.120 -0.000 0.000 0.312 264 V C -0.983 174.934 176.094 -0.296 0.000 1.061 264 V CA -1.016 61.129 62.300 -0.259 0.000 0.931 264 V CB 1.902 33.589 31.823 -0.227 0.000 1.010 264 V HN 0.782 nan 8.190 nan 0.000 0.433 265 R N 2.825 123.253 120.500 -0.120 0.000 2.445 265 R HA 0.511 4.850 4.340 -0.000 0.000 0.308 265 R C -0.202 176.169 176.300 0.119 0.000 0.961 265 R CA -0.256 55.816 56.100 -0.047 0.000 0.862 265 R CB 1.144 31.335 30.300 -0.181 0.000 1.144 265 R HN 0.953 nan 8.270 nan 0.000 0.447 266 N N 2.982 121.762 118.700 0.133 0.000 2.479 266 N HA 0.258 4.997 4.740 -0.000 0.000 0.257 266 N C -0.503 175.150 175.510 0.237 0.000 1.232 266 N CA 0.152 53.317 53.050 0.191 0.000 0.920 266 N CB 0.623 39.214 38.487 0.174 0.000 1.105 266 N HN 0.497 nan 8.380 nan 0.000 0.444 267 I N -2.488 118.213 120.570 0.219 0.000 2.934 267 I HA 0.570 4.740 4.170 -0.000 0.000 0.306 267 I C -0.743 175.438 176.117 0.106 0.000 1.110 267 I CA -1.287 60.120 61.300 0.177 0.000 1.019 267 I CB 2.016 40.118 38.000 0.170 0.000 1.227 267 I HN 0.379 nan 8.210 nan 0.000 0.434 268 D N 2.877 123.312 120.400 0.057 0.000 2.433 268 D HA 0.121 4.761 4.640 -0.000 0.000 0.255 268 D C 0.859 177.181 176.300 0.037 0.000 1.226 268 D CA -0.468 53.554 54.000 0.038 0.000 1.015 268 D CB 1.071 41.877 40.800 0.011 0.000 1.091 268 D HN 0.669 nan 8.370 nan 0.000 0.527 269 I N -0.153 120.436 120.570 0.033 0.000 2.423 269 I HA -0.236 3.933 4.170 -0.000 0.000 0.254 269 I C 0.972 177.090 176.117 0.003 0.000 1.151 269 I CA 1.557 62.872 61.300 0.025 0.000 1.421 269 I CB -0.287 37.725 38.000 0.021 0.000 1.079 269 I HN 0.270 nan 8.210 nan 0.000 0.431 270 D N 0.345 120.738 120.400 -0.011 0.000 2.347 270 D HA 0.136 4.775 4.640 -0.000 0.000 0.213 270 D C 1.751 178.019 176.300 -0.054 0.000 0.985 270 D CA 1.052 55.033 54.000 -0.031 0.000 0.879 270 D CB 0.056 40.834 40.800 -0.035 0.000 0.919 270 D HN 0.469 nan 8.370 nan 0.000 0.526 271 G N 1.063 109.832 108.800 -0.053 0.000 2.131 271 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.223 271 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.223 271 G C 0.014 174.770 174.900 -0.239 0.000 0.990 271 G CA -0.487 44.550 45.100 -0.106 0.000 0.671 271 G HN 0.165 nan 8.290 nan 0.000 0.521 272 N N 0.388 118.989 118.700 -0.166 0.000 2.488 272 N HA 0.461 5.201 4.740 -0.000 0.000 0.274 272 N C 0.247 175.701 175.510 -0.094 0.000 1.111 272 N CA -0.111 52.825 53.050 -0.191 0.000 0.974 272 N CB 0.343 38.781 38.487 -0.082 0.000 1.089 272 N HN 0.026 nan 8.380 nan 0.000 0.465 273 F N 1.490 121.438 119.950 -0.003 0.000 2.572 273 F HA 0.149 4.676 4.527 -0.000 0.000 0.370 273 F C 1.012 176.804 175.800 -0.014 0.000 1.103 273 F CA -0.142 57.864 58.000 0.010 0.000 1.286 273 F CB 0.067 39.087 39.000 0.034 0.000 1.105 273 F HN 0.126 nan 8.300 nan 0.000 0.583 274 L N 2.591 123.922 121.223 0.181 0.000 2.313 274 L HA 0.400 4.740 4.340 -0.000 0.000 0.268 274 L C 0.125 176.878 176.870 -0.195 0.000 1.010 274 L CA -0.974 53.859 54.840 -0.012 0.000 0.814 274 L CB 1.081 43.123 42.059 -0.028 0.000 1.304 274 L HN 0.325 nan 8.230 nan 0.000 0.441 275 D N 2.571 122.686 120.400 -0.474 0.000 3.085 275 D HA 0.405 5.045 4.640 -0.000 0.000 0.243 275 D C -0.830 174.491 176.300 -1.632 0.000 1.232 275 D CA 0.383 53.602 54.000 -1.302 0.000 0.913 275 D CB -0.100 39.919 40.800 -1.302 0.000 1.108 275 D HN 0.088 nan 8.370 nan 0.000 0.468 276 L N 0.146 120.877 121.223 -0.819 0.000 2.455 276 L HA 0.389 4.729 4.340 -0.000 0.000 0.264 276 L C -0.050 176.912 176.870 0.153 0.000 0.968 276 L CA -0.517 54.189 54.840 -0.223 0.000 0.827 276 L CB 2.246 44.296 42.059 -0.015 0.000 1.317 276 L HN -0.070 nan 8.230 nan 0.000 0.407 277 S N 0.631 116.604 115.700 0.455 0.000 2.651 277 S HA 0.950 5.420 4.470 -0.000 0.000 0.279 277 S C -1.372 173.546 174.600 0.530 0.000 1.148 277 S CA -0.791 57.623 58.200 0.356 0.000 0.837 277 S CB 2.243 65.596 63.200 0.256 0.000 1.138 277 S HN 0.630 nan 8.310 nan 0.000 0.478 278 Y N -1.321 119.177 120.300 0.331 0.000 2.677 278 Y HA 0.569 5.119 4.550 -0.000 0.000 0.334 278 Y C -0.973 175.185 175.900 0.431 0.000 1.196 278 Y CA -1.154 57.168 58.100 0.370 0.000 1.059 278 Y CB 0.636 39.280 38.460 0.306 0.000 1.315 278 Y HN 0.847 nan 8.280 nan 0.000 0.455 279 N N 1.356 120.393 118.700 0.562 0.000 2.514 279 N HA 0.450 5.190 4.740 -0.000 0.000 0.277 279 N C -1.371 174.381 175.510 0.405 0.000 1.126 279 N CA -0.292 52.997 53.050 0.399 0.000 0.978 279 N CB 0.661 39.302 38.487 0.257 0.000 1.106 279 N HN 0.701 nan 8.380 nan 0.000 0.461 280 I N 2.107 122.833 120.570 0.259 0.000 2.411 280 I HA 0.325 4.495 4.170 -0.000 0.000 0.284 280 I C 0.234 176.387 176.117 0.060 0.000 1.012 280 I CA -0.662 60.749 61.300 0.186 0.000 1.119 280 I CB 1.848 39.943 38.000 0.159 0.000 1.261 280 I HN 0.502 nan 8.210 nan 0.000 0.448 281 G N 4.326 113.149 108.800 0.039 0.000 2.644 281 G HA2 0.528 4.488 3.960 -0.000 0.000 0.300 281 G HA3 0.528 4.488 3.960 -0.000 0.000 0.300 281 G C -1.206 173.697 174.900 0.005 0.000 1.395 281 G CA -0.436 44.679 45.100 0.026 0.000 0.964 281 G HN 0.534 nan 8.290 nan 0.000 0.511 282 H N 0.920 119.961 119.070 -0.049 0.000 2.527 282 H HA 0.501 5.057 4.556 -0.000 0.000 0.321 282 H C -0.878 174.341 175.328 -0.182 0.000 1.087 282 H CA 0.232 56.305 56.048 0.041 0.000 1.337 282 H CB 1.135 30.913 29.762 0.026 0.000 1.440 282 H HN 0.572 nan 8.280 nan 0.000 0.490 283 W N 0.654 121.945 121.300 -0.015 0.000 2.781 283 W HA 0.510 5.170 4.660 -0.000 0.000 0.345 283 W C 0.872 177.161 176.519 -0.383 0.000 1.085 283 W CA -0.763 56.446 57.345 -0.225 0.000 1.198 283 W CB 1.354 30.718 29.460 -0.159 0.000 1.423 283 W HN 0.716 nan 8.180 nan 0.000 0.532 284 A N 1.278 123.808 122.820 -0.484 0.000 1.972 284 A HA 0.099 4.418 4.320 -0.000 0.000 0.219 284 A C 0.662 178.295 177.584 0.082 0.000 1.169 284 A CA 1.817 53.601 52.037 -0.421 0.000 0.635 284 A CB -0.500 18.242 19.000 -0.430 0.000 0.810 284 A HN 0.601 nan 8.150 nan 0.000 0.446 285 S N -3.395 112.359 115.700 0.091 0.000 2.567 285 S HA 0.440 4.910 4.470 -0.000 0.000 0.270 285 S C 0.075 174.674 174.600 -0.002 0.000 1.152 285 S CA -0.135 58.106 58.200 0.069 0.000 0.835 285 S CB 0.650 63.880 63.200 0.050 0.000 1.115 285 S HN 0.465 nan 8.310 nan 0.000 0.459 286 L N 1.471 122.649 121.223 -0.075 0.000 2.083 286 L HA 0.053 4.393 4.340 -0.000 0.000 0.209 286 L C 1.537 178.313 176.870 -0.156 0.000 1.083 286 L CA 2.310 57.051 54.840 -0.164 0.000 0.752 286 L CB -1.148 40.772 42.059 -0.232 0.000 0.899 286 L HN 0.856 nan 8.230 nan 0.000 0.433 287 D N -0.931 119.416 120.400 -0.088 0.000 2.123 287 D HA -0.250 4.390 4.640 -0.000 0.000 0.196 287 D C 2.130 178.380 176.300 -0.083 0.000 0.992 287 D CA 1.528 55.488 54.000 -0.066 0.000 0.833 287 D CB -0.222 40.555 40.800 -0.038 0.000 0.954 287 D HN 0.476 nan 8.370 nan 0.000 0.455 288 Q N -0.568 119.198 119.800 -0.056 0.000 2.119 288 Q HA -0.056 4.283 4.340 -0.000 0.000 0.201 288 Q C 2.050 177.915 176.000 -0.225 0.000 0.972 288 Q CA 0.436 56.244 55.803 0.008 0.000 0.847 288 Q CB -0.073 28.775 28.738 0.183 0.000 0.903 288 Q HN 0.233 nan 8.270 nan 0.000 0.433 289 L N 1.084 121.913 121.223 -0.656 0.000 2.027 289 L HA -0.171 4.169 4.340 -0.000 0.000 0.206 289 L C 1.799 178.352 176.870 -0.528 0.000 1.074 289 L CA 1.833 55.912 54.840 -1.269 0.000 0.745 289 L CB -0.273 40.991 42.059 -1.325 0.000 0.898 289 L HN 0.131 nan 8.230 nan 0.000 0.433 290 E N -0.790 119.228 120.200 -0.303 0.000 2.058 290 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 290 E C 2.220 178.728 176.600 -0.153 0.000 0.997 290 E CA 1.161 57.471 56.400 -0.150 0.000 0.801 290 E CB -0.090 29.564 29.700 -0.076 0.000 0.746 290 E HN 0.382 nan 8.360 nan 0.000 0.450 291 R N 0.003 120.430 120.500 -0.122 0.000 2.081 291 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 291 R C 1.934 178.183 176.300 -0.085 0.000 1.131 291 R CA 1.165 57.207 56.100 -0.096 0.000 0.960 291 R CB -0.972 29.314 30.300 -0.023 0.000 0.856 291 R HN 0.376 nan 8.270 nan 0.000 0.436 292 W N 2.194 123.393 121.300 -0.168 0.000 2.355 292 W HA -0.229 4.431 4.660 -0.000 0.000 0.309 292 W C 2.383 178.813 176.519 -0.147 0.000 1.206 292 W CA 2.445 59.742 57.345 -0.080 0.000 1.284 292 W CB -0.351 29.134 29.460 0.041 0.000 1.145 292 W HN 0.188 nan 8.180 nan 0.000 0.502 293 S N -0.090 115.494 115.700 -0.194 0.000 2.428 293 S HA -0.217 4.253 4.470 -0.000 0.000 0.230 293 S C 1.570 175.809 174.600 -0.603 0.000 1.014 293 S CA 1.272 59.218 58.200 -0.424 0.000 0.957 293 S CB -0.764 62.267 63.200 -0.282 0.000 0.784 293 S HN 0.671 nan 8.310 nan 0.000 0.499 294 E N 1.320 121.015 120.200 -0.842 0.000 2.472 294 E HA 0.094 4.443 4.350 -0.000 0.000 0.196 294 E C 1.440 177.454 176.600 -0.977 0.000 1.033 294 E CA 0.739 56.218 56.400 -1.534 0.000 0.886 294 E CB 0.064 28.968 29.700 -1.326 0.000 0.944 294 E HN 0.652 nan 8.360 nan 0.000 0.492 295 S N -0.923 114.391 115.700 -0.643 0.000 2.653 295 S HA 0.039 4.509 4.470 -0.000 0.000 0.259 295 S C 0.555 174.905 174.600 -0.416 0.000 1.076 295 S CA -0.569 57.358 58.200 -0.455 0.000 1.051 295 S CB -0.406 62.611 63.200 -0.306 0.000 0.994 295 S HN 0.324 nan 8.310 nan 0.000 0.552 296 H N 3.165 121.829 119.070 -0.678 0.000 2.722 296 H HA 0.265 4.821 4.556 -0.000 0.000 0.328 296 H C -2.014 172.995 175.328 -0.531 0.000 1.067 296 H CA -1.232 54.397 56.048 -0.698 0.000 1.447 296 H CB 1.652 30.698 29.762 -1.193 0.000 1.469 296 H HN 0.097 nan 8.280 nan 0.000 0.544 297 P HA -0.167 nan 4.420 nan 0.000 0.218 297 P C 1.519 178.641 177.300 -0.297 0.000 1.148 297 P CA 1.841 64.666 63.100 -0.457 0.000 0.822 297 P CB 0.132 31.558 31.700 -0.457 0.000 0.784 298 T N -3.498 110.906 114.554 -0.250 0.000 2.668 298 T HA -0.244 4.106 4.350 -0.000 0.000 0.262 298 T C 1.908 176.619 174.700 0.020 0.000 1.045 298 T CA 1.204 63.311 62.100 0.012 0.000 1.152 298 T CB -1.597 67.441 68.868 0.282 0.000 0.864 298 T HN 0.161 nan 8.240 nan 0.000 0.419 299 H N 1.470 120.420 119.070 -0.201 0.000 2.352 299 H HA 0.008 4.564 4.556 -0.000 0.000 0.299 299 H C 2.291 177.607 175.328 -0.020 0.000 1.097 299 H CA 1.673 57.635 56.048 -0.143 0.000 1.311 299 H CB -0.229 29.278 29.762 -0.426 0.000 1.377 299 H HN 0.356 nan 8.280 nan 0.000 0.504 300 L N 0.050 121.177 121.223 -0.160 0.000 2.046 300 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 300 L C 2.952 179.830 176.870 0.013 0.000 1.077 300 L CA 1.198 55.975 54.840 -0.105 0.000 0.747 300 L CB -0.455 41.489 42.059 -0.190 0.000 0.896 300 L HN 0.175 nan 8.230 nan 0.000 0.432 301 R N 1.042 121.524 120.500 -0.030 0.000 2.094 301 R HA -0.215 4.125 4.340 -0.000 0.000 0.239 301 R C 2.354 178.688 176.300 0.057 0.000 1.137 301 R CA 2.234 58.339 56.100 0.009 0.000 0.943 301 R CB -0.384 29.907 30.300 -0.016 0.000 0.850 301 R HN 0.526 nan 8.270 nan 0.000 0.433 302 I N -2.350 118.249 120.570 0.048 0.000 2.439 302 I HA -0.094 4.076 4.170 -0.000 0.000 0.251 302 I C 2.035 178.229 176.117 0.129 0.000 1.139 302 I CA 1.107 62.457 61.300 0.084 0.000 1.438 302 I CB -0.596 37.460 38.000 0.093 0.000 1.085 302 I HN 0.100 nan 8.210 nan 0.000 0.427 303 F N 3.612 123.491 119.950 -0.118 0.000 2.095 303 F HA -0.274 4.253 4.527 -0.000 0.000 0.298 303 F C 2.737 178.596 175.800 0.099 0.000 1.104 303 F CA 2.811 60.781 58.000 -0.051 0.000 1.232 303 F CB -0.573 38.351 39.000 -0.127 0.000 0.987 303 F HN 0.263 nan 8.300 nan 0.000 0.475 304 T N -3.267 111.437 114.554 0.250 0.000 2.867 304 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 304 T C 1.877 176.662 174.700 0.143 0.000 1.057 304 T CA 1.660 63.848 62.100 0.147 0.000 1.136 304 T CB -1.108 67.844 68.868 0.140 0.000 0.874 304 T HN 0.298 nan 8.240 nan 0.000 0.466 305 T N 1.365 115.998 114.554 0.131 0.000 2.708 305 T HA 0.020 4.370 4.350 -0.000 0.000 0.266 305 T C 1.300 176.061 174.700 0.101 0.000 1.037 305 T CA 1.335 63.496 62.100 0.102 0.000 1.146 305 T CB -0.653 68.271 68.868 0.093 0.000 0.865 305 T HN 0.414 nan 8.240 nan 0.000 0.435 306 F N 1.178 121.128 119.950 0.001 0.000 2.069 306 F HA -0.112 4.414 4.527 -0.000 0.000 0.298 306 F C 1.808 177.529 175.800 -0.132 0.000 1.113 306 F CA 1.192 59.147 58.000 -0.075 0.000 1.214 306 F CB -0.528 38.410 39.000 -0.103 0.000 0.978 306 F HN 0.058 nan 8.300 nan 0.000 0.474 307 F N 0.692 120.616 119.950 -0.043 0.000 2.192 307 F HA -0.209 4.318 4.527 -0.000 0.000 0.301 307 F C 2.710 178.453 175.800 -0.095 0.000 1.079 307 F CA 1.918 59.892 58.000 -0.044 0.000 1.303 307 F CB -0.813 38.198 39.000 0.018 0.000 1.024 307 F HN -0.036 nan 8.300 nan 0.000 0.494 308 R N 0.272 120.821 120.500 0.082 0.000 2.119 308 R HA -0.054 4.286 4.340 -0.000 0.000 0.222 308 R C 1.876 178.123 176.300 -0.088 0.000 1.088 308 R CA 1.563 57.675 56.100 0.019 0.000 0.984 308 R CB -0.068 30.255 30.300 0.038 0.000 0.884 308 R HN 0.293 nan 8.270 nan 0.000 0.447 309 V N -3.308 116.489 119.914 -0.195 0.000 3.644 309 V HA 0.363 4.483 4.120 -0.000 0.000 0.267 309 V C 1.930 177.777 176.094 -0.413 0.000 1.277 309 V CA 0.729 62.882 62.300 -0.244 0.000 1.096 309 V CB 0.315 32.024 31.823 -0.190 0.000 0.828 309 V HN 0.207 nan 8.190 nan 0.000 0.446 310 A N 1.440 123.851 122.820 -0.682 0.000 1.948 310 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 310 A C 2.471 179.792 177.584 -0.437 0.000 1.177 310 A CA 2.581 54.072 52.037 -0.909 0.000 0.636 310 A CB -0.959 17.200 19.000 -1.403 0.000 0.815 310 A HN 1.059 nan 8.150 nan 0.000 0.449 311 A N -1.207 121.459 122.820 -0.257 0.000 1.933 311 A HA 0.185 4.505 4.320 -0.000 0.000 0.218 311 A C 2.018 179.552 177.584 -0.083 0.000 1.175 311 A CA 1.815 53.783 52.037 -0.115 0.000 0.628 311 A CB -0.738 18.223 19.000 -0.065 0.000 0.814 311 A HN 1.010 nan 8.150 nan 0.000 0.444 312 G N -1.317 107.421 108.800 -0.102 0.000 3.735 312 G HA2 0.439 4.399 3.960 -0.000 0.000 0.283 312 G HA3 0.439 4.399 3.960 -0.000 0.000 0.283 312 G C 0.132 174.992 174.900 -0.067 0.000 1.007 312 G CA -0.445 44.618 45.100 -0.063 0.000 0.821 312 G HN 0.275 nan 8.290 nan 0.000 0.505 313 L N 1.529 122.686 121.223 -0.111 0.000 2.540 313 L HA 0.081 4.420 4.340 -0.000 0.000 0.276 313 L C 1.120 177.984 176.870 -0.010 0.000 1.212 313 L CA 0.287 55.083 54.840 -0.074 0.000 0.893 313 L CB 1.267 43.251 42.059 -0.125 0.000 1.138 313 L HN 0.219 nan 8.230 nan 0.000 0.491 314 S N 1.889 117.596 115.700 0.010 0.000 2.807 314 S HA 0.140 4.610 4.470 -0.000 0.000 0.247 314 S C 1.157 175.772 174.600 0.024 0.000 1.078 314 S CA -0.316 57.896 58.200 0.020 0.000 0.867 314 S CB 0.638 63.844 63.200 0.011 0.000 0.797 314 S HN 0.593 nan 8.310 nan 0.000 0.515 315 K N 0.292 120.707 120.400 0.025 0.000 2.511 315 K HA 0.347 4.667 4.320 -0.000 0.000 0.209 315 K C -0.163 176.449 176.600 0.019 0.000 1.301 315 K CA -0.182 56.110 56.287 0.008 0.000 0.967 315 K CB 0.119 32.622 32.500 0.006 0.000 1.109 315 K HN 0.194 nan 8.250 nan 0.000 0.561 316 L N 2.992 124.252 121.223 0.062 0.000 2.499 316 L HA 0.033 4.373 4.340 -0.000 0.000 0.273 316 L C -0.539 176.400 176.870 0.115 0.000 1.195 316 L CA 0.695 55.592 54.840 0.096 0.000 0.882 316 L CB 0.083 42.212 42.059 0.117 0.000 1.133 316 L HN -0.000 nan 8.230 nan 0.000 0.483 317 R N 6.036 126.593 120.500 0.095 0.000 2.388 317 R HA 0.633 4.973 4.340 -0.000 0.000 0.314 317 R C -1.338 175.197 176.300 0.391 0.000 0.959 317 R CA -0.499 55.663 56.100 0.103 0.000 0.851 317 R CB 1.061 31.087 30.300 -0.457 0.000 1.168 317 R HN 0.609 nan 8.270 nan 0.000 0.472 318 L N 4.140 125.740 121.223 0.629 0.000 2.362 318 L HA 0.675 5.014 4.340 -0.000 0.000 0.271 318 L C -0.867 176.371 176.870 0.613 0.000 1.002 318 L CA -1.137 54.023 54.840 0.534 0.000 0.818 318 L CB 1.333 43.597 42.059 0.341 0.000 1.298 318 L HN 0.585 nan 8.230 nan 0.000 0.420 319 Y N -0.354 120.105 120.300 0.266 0.000 2.713 319 Y HA 0.701 5.250 4.550 -0.000 0.000 0.335 319 Y C -1.170 174.747 175.900 0.029 0.000 1.222 319 Y CA -1.198 56.921 58.100 0.033 0.000 1.061 319 Y CB 1.240 39.836 38.460 0.227 0.000 1.314 319 Y HN 0.679 nan 8.280 nan 0.000 0.453 320 H N -0.659 118.319 119.070 -0.154 0.000 3.017 320 H HA 0.707 5.263 4.556 -0.000 0.000 0.346 320 H C -2.023 173.254 175.328 -0.085 0.000 1.286 320 H CA -0.938 55.017 56.048 -0.156 0.000 1.120 320 H CB 2.915 32.612 29.762 -0.109 0.000 1.860 320 H HN 0.915 nan 8.280 nan 0.000 0.542 321 E N 1.656 122.001 120.200 0.241 0.000 2.275 321 E HA 0.544 4.894 4.350 -0.000 0.000 0.270 321 E C -1.652 175.000 176.600 0.086 0.000 0.882 321 E CA -1.101 55.408 56.400 0.181 0.000 0.758 321 E CB 3.106 32.932 29.700 0.211 0.000 1.195 321 E HN 0.352 nan 8.360 nan 0.000 0.419 322 V N 1.767 121.704 119.914 0.037 0.000 2.638 322 V HA 0.537 4.657 4.120 -0.000 0.000 0.306 322 V C -0.558 175.642 176.094 0.176 0.000 1.052 322 V CA -0.684 61.648 62.300 0.054 0.000 0.885 322 V CB 1.863 33.679 31.823 -0.011 0.000 0.999 322 V HN 0.804 nan 8.190 nan 0.000 0.424 323 S N 2.194 118.029 115.700 0.225 0.000 2.570 323 S HA 0.865 5.335 4.470 -0.000 0.000 0.286 323 S C -0.542 173.945 174.600 -0.189 0.000 1.099 323 S CA -0.731 57.588 58.200 0.197 0.000 0.913 323 S CB 2.258 65.615 63.200 0.261 0.000 1.085 323 S HN 0.999 nan 8.310 nan 0.000 0.480 324 V N -0.105 119.659 119.914 -0.250 0.000 2.823 324 V HA 0.911 5.031 4.120 -0.000 0.000 0.312 324 V C -1.589 174.155 176.094 -0.583 0.000 1.072 324 V CA -0.965 60.968 62.300 -0.611 0.000 0.937 324 V CB 1.101 32.758 31.823 -0.276 0.000 1.013 324 V HN 0.736 nan 8.190 nan 0.000 0.430 325 F N 0.256 120.301 119.950 0.158 0.000 2.576 325 F HA 0.678 5.205 4.527 -0.000 0.000 0.313 325 F C -0.075 175.792 175.800 0.112 0.000 1.078 325 F CA -1.047 57.036 58.000 0.139 0.000 0.921 325 F CB 0.942 40.024 39.000 0.136 0.000 1.232 325 F HN 0.441 nan 8.300 nan 0.000 0.459 326 D N 0.862 121.428 120.400 0.277 0.000 2.399 326 D HA 0.252 4.892 4.640 -0.000 0.000 0.241 326 D C 1.156 177.579 176.300 0.204 0.000 1.133 326 D CA 0.261 54.379 54.000 0.197 0.000 0.890 326 D CB 1.320 42.208 40.800 0.146 0.000 1.201 326 D HN 0.713 nan 8.370 nan 0.000 0.432 327 A N 2.202 125.126 122.820 0.173 0.000 1.940 327 A HA -0.252 4.068 4.320 -0.000 0.000 0.221 327 A C 1.971 179.614 177.584 0.099 0.000 1.190 327 A CA 2.536 54.664 52.037 0.151 0.000 0.647 327 A CB -0.739 18.351 19.000 0.150 0.000 0.821 327 A HN 0.623 nan 8.150 nan 0.000 0.457 328 A N -1.282 121.588 122.820 0.083 0.000 2.209 328 A HA -0.003 4.317 4.320 -0.000 0.000 0.212 328 A C 1.086 178.682 177.584 0.020 0.000 1.158 328 A CA 1.316 53.380 52.037 0.045 0.000 0.742 328 A CB -0.199 18.827 19.000 0.044 0.000 0.790 328 A HN 0.440 nan 8.150 nan 0.000 0.472 329 D N -0.018 120.407 120.400 0.042 0.000 2.463 329 D HA 0.146 4.786 4.640 -0.000 0.000 0.224 329 D C -0.204 176.028 176.300 -0.114 0.000 1.174 329 D CA 0.267 54.271 54.000 0.008 0.000 0.829 329 D CB 0.335 41.196 40.800 0.102 0.000 0.993 329 D HN 0.576 nan 8.370 nan 0.000 0.497 330 Q N 0.675 120.377 119.800 -0.163 0.000 2.375 330 Q HA 0.635 4.975 4.340 -0.000 0.000 0.271 330 Q C -0.980 174.753 176.000 -0.445 0.000 1.074 330 Q CA -0.690 54.873 55.803 -0.400 0.000 0.808 330 Q CB 3.313 31.865 28.738 -0.310 0.000 1.327 330 Q HN 0.031 nan 8.270 nan 0.000 0.441 331 L N 2.433 123.254 121.223 -0.671 0.000 2.482 331 L HA 0.477 4.817 4.340 -0.000 0.000 0.269 331 L C -2.020 174.514 176.870 -0.561 0.000 0.967 331 L CA -0.563 54.006 54.840 -0.452 0.000 0.851 331 L CB 1.203 43.121 42.059 -0.236 0.000 1.242 331 L HN 0.629 nan 8.230 nan 0.000 0.404 332 Y N 3.172 123.482 120.300 0.017 0.000 2.555 332 Y HA 0.467 5.017 4.550 -0.000 0.000 0.326 332 Y C -0.187 175.748 175.900 0.058 0.000 0.984 332 Y CA -0.718 57.391 58.100 0.015 0.000 1.298 332 Y CB 1.221 39.758 38.460 0.130 0.000 1.094 332 Y HN 0.453 nan 8.280 nan 0.000 0.500 333 E N 2.586 122.809 120.200 0.039 0.000 2.179 333 E HA 0.464 4.814 4.350 -0.000 0.000 0.275 333 E C -1.544 175.064 176.600 0.013 0.000 0.945 333 E CA -0.964 55.552 56.400 0.192 0.000 0.792 333 E CB 1.689 31.635 29.700 0.411 0.000 1.125 333 E HN 0.487 nan 8.360 nan 0.000 0.397 334 Y N 1.861 122.346 120.300 0.307 0.000 2.373 334 Y HA 0.430 4.980 4.550 -0.000 0.000 0.336 334 Y C -0.285 175.708 175.900 0.155 0.000 0.979 334 Y CA -0.685 57.570 58.100 0.257 0.000 1.080 334 Y CB 1.270 39.800 38.460 0.117 0.000 1.190 334 Y HN 0.340 nan 8.280 nan 0.000 0.446 335 I N 3.798 124.531 120.570 0.271 0.000 2.410 335 I HA 0.283 4.452 4.170 -0.000 0.000 0.286 335 I C -0.406 175.795 176.117 0.139 0.000 1.009 335 I CA -0.805 60.565 61.300 0.116 0.000 1.111 335 I CB 1.238 39.208 38.000 -0.049 0.000 1.262 335 I HN 0.675 nan 8.210 nan 0.000 0.443 336 N N 2.900 121.650 118.700 0.084 0.000 2.721 336 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 336 N C -0.722 174.825 175.510 0.062 0.000 1.072 336 N CA 0.585 53.671 53.050 0.059 0.000 0.710 336 N CB -1.187 37.327 38.487 0.045 0.000 0.993 336 N HN 0.491 nan 8.380 nan 0.000 0.547 337 C N 0.681 120.023 119.300 0.069 0.000 2.370 337 C HA 0.353 4.813 4.460 -0.000 0.000 0.354 337 C C 1.148 176.045 174.990 -0.155 0.000 1.218 337 C CA -0.968 58.040 59.018 -0.017 0.000 2.154 337 C CB 0.167 27.956 27.740 0.082 0.000 2.391 337 C HN 0.553 nan 8.230 nan 0.000 0.540 338 H N 1.163 120.073 119.070 -0.266 0.000 2.852 338 H HA 0.151 4.707 4.556 -0.000 0.000 0.362 338 H C -2.279 172.899 175.328 -0.251 0.000 1.122 338 H CA -1.187 54.674 56.048 -0.312 0.000 1.419 338 H CB -0.323 29.080 29.762 -0.598 0.000 1.401 338 H HN 0.346 nan 8.280 nan 0.000 0.609 339 P HA -0.039 nan 4.420 nan 0.000 0.229 339 P C 1.020 178.208 177.300 -0.186 0.000 1.150 339 P CA 1.848 64.859 63.100 -0.148 0.000 0.765 339 P CB 0.118 31.774 31.700 -0.074 0.000 0.783 340 G N -1.780 106.969 108.800 -0.086 0.000 3.337 340 G HA2 0.035 3.995 3.960 -0.000 0.000 0.246 340 G HA3 0.035 3.995 3.960 -0.000 0.000 0.246 340 G C 0.067 174.793 174.900 -0.291 0.000 1.131 340 G CA 0.056 45.102 45.100 -0.090 0.000 0.773 340 G HN 0.134 nan 8.290 nan 0.000 0.544 341 T N 1.167 115.336 114.554 -0.641 0.000 2.780 341 T HA 0.507 4.857 4.350 -0.000 0.000 0.294 341 T C 1.298 175.667 174.700 -0.552 0.000 0.949 341 T CA 0.595 62.323 62.100 -0.620 0.000 1.074 341 T CB 1.307 69.775 68.868 -0.667 0.000 0.910 341 T HN 0.719 nan 8.240 nan 0.000 0.501 342 G N 3.824 112.392 108.800 -0.387 0.000 2.629 342 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.313 342 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.313 342 G C 0.902 175.548 174.900 -0.423 0.000 1.217 342 G CA 0.397 45.290 45.100 -0.345 0.000 0.994 342 G HN 0.573 nan 8.290 nan 0.000 0.549 343 M N 1.034 120.348 119.600 -0.476 0.000 2.595 343 M HA 0.337 4.817 4.480 -0.000 0.000 0.248 343 M C 2.581 178.572 176.300 -0.514 0.000 1.119 343 M CA 0.503 55.484 55.300 -0.533 0.000 1.079 343 M CB -1.070 31.160 32.600 -0.616 0.000 1.472 343 M HN 0.440 nan 8.290 nan 0.000 0.501 344 L N -0.669 120.141 121.223 -0.688 0.000 2.083 344 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 344 L C 2.691 179.338 176.870 -0.371 0.000 1.083 344 L CA 1.072 55.573 54.840 -0.566 0.000 0.752 344 L CB -0.660 40.978 42.059 -0.703 0.000 0.899 344 L HN 0.307 nan 8.230 nan 0.000 0.433 345 R N 0.209 120.500 120.500 -0.349 0.000 2.091 345 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 345 R C 0.996 177.174 176.300 -0.203 0.000 1.136 345 R CA 1.979 57.935 56.100 -0.239 0.000 0.959 345 R CB 0.048 30.223 30.300 -0.207 0.000 0.856 345 R HN 0.331 nan 8.270 nan 0.000 0.437 346 D N -0.894 119.359 120.400 -0.245 0.000 2.441 346 D HA 0.180 4.820 4.640 -0.000 0.000 0.210 346 D C -0.423 175.721 176.300 -0.260 0.000 1.102 346 D CA 0.126 53.995 54.000 -0.218 0.000 0.840 346 D CB 0.781 41.467 40.800 -0.190 0.000 0.990 346 D HN 0.236 nan 8.370 nan 0.000 0.505 347 A N 0.951 123.601 122.820 -0.283 0.000 2.511 347 A HA 0.247 4.567 4.320 -0.000 0.000 0.242 347 A C 0.399 177.896 177.584 -0.144 0.000 1.069 347 A CA -0.127 51.777 52.037 -0.222 0.000 0.763 347 A CB 0.492 19.369 19.000 -0.204 0.000 1.001 347 A HN 0.065 nan 8.150 nan 0.000 0.498 348 V N 3.362 123.214 119.914 -0.103 0.000 2.530 348 V HA 0.370 4.490 4.120 -0.000 0.000 0.282 348 V C 1.014 177.074 176.094 -0.055 0.000 1.048 348 V CA 1.039 63.298 62.300 -0.069 0.000 0.997 348 V CB 1.006 32.801 31.823 -0.048 0.000 0.987 348 V HN 1.103 nan 8.190 nan 0.000 0.477 349 T N 4.962 119.485 114.554 -0.051 0.000 2.987 349 T HA 0.301 4.650 4.350 -0.000 0.000 0.248 349 T C 0.787 175.470 174.700 -0.029 0.000 0.997 349 T CA 0.002 62.079 62.100 -0.037 0.000 1.013 349 T CB -0.206 68.638 68.868 -0.041 0.000 1.077 349 T HN 0.464 nan 8.240 nan 0.000 0.483 350 I N 0.000 120.551 120.570 -0.031 0.000 2.984 350 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 350 I CA 0.000 61.285 61.300 -0.025 0.000 1.566 350 I CB 0.000 37.984 38.000 -0.026 0.000 1.214 350 I HN 0.000 nan 8.210 nan 0.000 0.494