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 3hwo_1_B DATA FIRST_RESID 14 DATA SEQUENCE ATLAPNRFFF MSPYRSFTTS GCFARFDEPA VNGDSPDSPF QQKLAALFAD DATA SEQUENCE AKAQGIKNPV MVGAIPFDPR QPSSLYIPES WQSFSRQEKQ ASARRFTRSQ DATA SEQUENCE SLNVVERQAI PEQTTFEQMV ARAAALTATP QVDKVVLSRL IDITTDAAID DATA SEQUENCE SGVLLERLIA QNPVSYNFHV PLADGGVLLG ASPELLLRKD GERFSSIPLA DATA SEQUENCE GSARRQPDEV LDREAGNRLL ASEKDRHEHE LVTQAMKEVL RERSSELHVP DATA SEQUENCE SSPQLITTPT LWHLATPFEG KANSQENALT LACLLHPTPA LSGFPHQAAT DATA SEQUENCE QVIAELEPFD RELFGGIVGW CDSEGNGEWV VTIRCAKLRE NQVRLFAGAG DATA SEQUENCE IVPASSPLGE WRETGVKLST MLNVFGLH 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.589 177.584 0.008 0.000 1.274 14 A CA 0.000 52.073 52.037 0.060 0.000 0.836 14 A CB 0.000 19.012 19.000 0.021 0.000 0.831 15 T N -0.158 114.382 114.554 -0.023 0.000 2.922 15 T HA 0.751 4.898 4.350 -0.338 0.000 0.281 15 T C 0.063 174.674 174.700 -0.148 0.000 1.005 15 T CA -0.720 61.298 62.100 -0.137 0.000 0.982 15 T CB 0.945 69.746 68.868 -0.112 0.000 1.158 15 T HN 1.384 nan 8.240 nan 0.000 0.566 16 L N 1.550 122.632 121.223 -0.235 0.000 2.397 16 L HA 0.609 4.746 4.340 -0.338 0.000 0.271 16 L C 0.500 177.278 176.870 -0.153 0.000 1.148 16 L CA -0.255 54.442 54.840 -0.238 0.000 0.825 16 L CB 0.088 41.883 42.059 -0.441 0.000 1.117 16 L HN 0.974 nan 8.230 nan 0.000 0.456 17 A N 7.083 129.857 122.820 -0.077 0.000 2.488 17 A HA 0.375 4.493 4.320 -0.338 0.000 0.249 17 A C -1.602 176.013 177.584 0.050 0.000 1.083 17 A CA -0.873 51.163 52.037 -0.001 0.000 0.768 17 A CB -0.401 18.619 19.000 0.033 0.000 1.017 17 A HN 0.754 nan 8.150 nan 0.000 0.496 18 P HA -0.105 nan 4.420 nan 0.000 0.236 18 P C 0.255 177.703 177.300 0.247 0.000 1.172 18 P CA 0.923 64.166 63.100 0.238 0.000 0.759 18 P CB -0.036 31.749 31.700 0.141 0.000 0.843 19 N N -0.517 118.294 118.700 0.185 0.000 2.275 19 N HA 0.054 4.591 4.740 -0.338 0.000 0.236 19 N C -0.000 175.652 175.510 0.236 0.000 1.154 19 N CA -0.307 52.845 53.050 0.170 0.000 0.866 19 N CB 0.168 38.712 38.487 0.095 0.000 1.093 19 N HN 0.046 nan 8.380 nan 0.000 0.515 20 R N 0.295 120.967 120.500 0.286 0.000 2.494 20 R HA 0.323 4.461 4.340 -0.338 0.000 0.305 20 R C -1.184 175.393 176.300 0.461 0.000 0.959 20 R CA -0.841 55.455 56.100 0.328 0.000 0.864 20 R CB 1.577 31.987 30.300 0.184 0.000 1.159 20 R HN 0.047 nan 8.270 nan 0.000 0.446 21 F N 3.556 123.752 119.950 0.411 0.000 2.443 21 F HA 0.323 4.657 4.527 -0.321 0.000 0.353 21 F C -0.783 175.219 175.800 0.336 0.000 1.101 21 F CA -0.196 58.042 58.000 0.396 0.000 1.226 21 F CB 0.460 39.626 39.000 0.277 0.000 1.140 21 F HN 0.428 nan 8.300 nan 0.000 0.557 22 F N 7.824 127.413 119.950 -0.602 0.000 2.561 22 F HA 0.557 4.914 4.527 -0.283 0.000 0.313 22 F C -2.361 173.092 175.800 -0.578 0.000 1.126 22 F CA -1.476 56.267 58.000 -0.428 0.000 0.918 22 F CB 1.160 40.011 39.000 -0.249 0.000 1.199 22 F HN 0.349 nan 8.300 nan 0.000 0.444 23 F N 7.890 127.201 119.950 -1.066 0.000 2.562 23 F HA 0.565 4.893 4.527 -0.332 0.000 0.319 23 F C -1.349 174.039 175.800 -0.686 0.000 1.154 23 F CA -0.733 56.836 58.000 -0.719 0.000 0.931 23 F CB 1.811 40.454 39.000 -0.595 0.000 1.198 23 F HN 0.567 nan 8.300 nan 0.000 0.444 24 M N 6.220 125.416 119.600 -0.674 0.000 2.078 24 M HA 0.537 4.814 4.480 -0.338 0.000 0.320 24 M C -1.413 174.711 176.300 -0.295 0.000 0.969 24 M CA -0.010 55.052 55.300 -0.396 0.000 0.929 24 M CB 0.987 33.567 32.600 -0.034 0.000 1.504 24 M HN 0.569 nan 8.290 nan 0.000 0.419 25 S N 4.438 120.039 115.700 -0.166 0.000 2.556 25 S HA 0.672 4.940 4.470 -0.338 0.000 0.271 25 S C -2.384 172.238 174.600 0.037 0.000 1.135 25 S CA -1.177 57.045 58.200 0.036 0.000 0.858 25 S CB 1.860 65.312 63.200 0.421 0.000 1.114 25 S HN 0.619 nan 8.310 nan 0.000 0.468 26 P HA -0.045 nan 4.420 nan 0.000 0.226 26 P C 0.843 178.267 177.300 0.208 0.000 1.153 26 P CA 0.741 63.892 63.100 0.085 0.000 0.777 26 P CB -0.032 31.709 31.700 0.067 0.000 0.794 27 Y N 1.700 122.092 120.300 0.154 0.000 2.201 27 Y HA 0.135 4.482 4.550 -0.339 0.000 0.274 27 Y C 0.852 176.841 175.900 0.147 0.000 1.085 27 Y CA 0.809 59.016 58.100 0.179 0.000 1.079 27 Y CB -0.125 38.497 38.460 0.269 0.000 1.017 27 Y HN -0.283 nan 8.280 nan 0.000 0.480 28 R N 0.698 121.181 120.500 -0.030 0.000 2.532 28 R HA 0.431 4.569 4.340 -0.338 0.000 0.297 28 R C -1.218 175.058 176.300 -0.040 0.000 0.984 28 R CA -0.488 55.492 56.100 -0.201 0.000 0.884 28 R CB 1.693 31.706 30.300 -0.478 0.000 1.182 28 R HN 0.185 nan 8.270 nan 0.000 0.442 29 S N 3.455 118.993 115.700 -0.269 0.000 2.501 29 S HA 0.848 5.116 4.470 -0.338 0.000 0.301 29 S C -0.619 173.692 174.600 -0.481 0.000 1.096 29 S CA -0.695 57.120 58.200 -0.641 0.000 1.063 29 S CB 1.012 63.403 63.200 -1.348 0.000 1.042 29 S HN 0.511 nan 8.310 nan 0.000 0.494 30 F N -1.479 118.228 119.950 -0.405 0.000 2.770 30 F HA 0.720 5.051 4.527 -0.327 0.000 0.313 30 F C -0.674 175.267 175.800 0.236 0.000 1.154 30 F CA -1.087 56.943 58.000 0.050 0.000 0.923 30 F CB 0.585 39.546 39.000 -0.064 0.000 1.301 30 F HN 0.540 nan 8.300 nan 0.000 0.449 31 T N -1.074 113.768 114.554 0.480 0.000 2.940 31 T HA 0.873 5.020 4.350 -0.338 0.000 0.288 31 T C -0.456 174.563 174.700 0.531 0.000 1.045 31 T CA -0.235 62.083 62.100 0.363 0.000 1.018 31 T CB 1.738 70.762 68.868 0.261 0.000 1.151 31 T HN 1.219 nan 8.240 nan 0.000 0.529 32 T N -2.044 112.795 114.554 0.475 0.000 2.887 32 T HA 0.769 4.916 4.350 -0.338 0.000 0.292 32 T C -0.775 174.136 174.700 0.353 0.000 1.087 32 T CA -0.818 61.566 62.100 0.474 0.000 1.009 32 T CB 1.758 70.939 68.868 0.522 0.000 1.203 32 T HN 0.626 nan 8.240 nan 0.000 0.518 33 S N -0.079 115.804 115.700 0.306 0.000 2.547 33 S HA 0.805 5.073 4.470 -0.338 0.000 0.281 33 S C 0.398 175.143 174.600 0.241 0.000 1.118 33 S CA 0.217 58.557 58.200 0.233 0.000 0.947 33 S CB 1.021 64.314 63.200 0.155 0.000 1.053 33 S HN 1.779 nan 8.310 nan 0.000 0.482 34 G N 1.016 109.945 108.800 0.214 0.000 2.697 34 G HA2 -0.168 3.589 3.960 -0.338 0.000 0.240 34 G HA3 -0.168 3.589 3.960 -0.338 0.000 0.240 34 G C -0.205 174.854 174.900 0.264 0.000 1.346 34 G CA -0.121 45.093 45.100 0.190 0.000 0.887 34 G HN 1.566 nan 8.290 nan 0.000 0.569 35 C N -0.110 119.320 119.300 0.216 0.000 2.892 35 C HA 0.559 4.817 4.460 -0.338 0.000 0.360 35 C C 1.298 176.426 174.990 0.231 0.000 1.054 35 C CA -0.133 59.025 59.018 0.233 0.000 1.326 35 C CB -0.285 27.448 27.740 -0.010 0.000 1.806 35 C HN 1.238 nan 8.230 nan 0.000 0.490 36 F N 4.818 124.865 119.950 0.161 0.000 2.163 36 F HA 0.475 4.799 4.527 -0.339 0.000 0.297 36 F C 0.838 176.687 175.800 0.081 0.000 1.094 36 F CA 1.552 59.612 58.000 0.101 0.000 1.290 36 F CB 0.191 39.246 39.000 0.091 0.000 1.017 36 F HN 0.839 nan 8.300 nan 0.000 0.483 37 A N 0.393 123.154 122.820 -0.098 0.000 2.547 37 A HA 0.556 4.674 4.320 -0.338 0.000 0.298 37 A C -0.729 176.882 177.584 0.045 0.000 1.062 37 A CA -0.863 51.040 52.037 -0.224 0.000 0.748 37 A CB 0.833 19.536 19.000 -0.495 0.000 1.288 37 A HN 0.197 nan 8.150 nan 0.000 0.396 38 R N 0.232 120.758 120.500 0.044 0.000 2.528 38 R HA 0.669 4.807 4.340 -0.338 0.000 0.271 38 R C -1.462 174.963 176.300 0.208 0.000 1.056 38 R CA -0.324 55.864 56.100 0.146 0.000 1.117 38 R CB 1.134 31.474 30.300 0.067 0.000 1.085 38 R HN 0.619 nan 8.270 nan 0.000 0.530 39 F N 2.530 122.502 119.950 0.036 0.000 2.730 39 F HA 0.166 4.490 4.527 -0.339 0.000 0.335 39 F C -0.711 175.116 175.800 0.046 0.000 1.212 39 F CA -1.443 56.558 58.000 0.002 0.000 1.016 39 F CB 1.086 40.059 39.000 -0.046 0.000 1.290 39 F HN 0.589 nan 8.300 nan 0.000 0.495 40 D N 2.013 122.284 120.400 -0.216 0.000 2.469 40 D HA 0.077 4.514 4.640 -0.338 0.000 0.213 40 D C 0.170 176.283 176.300 -0.312 0.000 1.135 40 D CA -0.011 53.866 54.000 -0.206 0.000 0.834 40 D CB -0.202 40.551 40.800 -0.077 0.000 1.009 40 D HN 0.398 nan 8.370 nan 0.000 0.507 41 E N 2.060 121.920 120.200 -0.568 0.000 2.652 41 E HA 0.077 4.224 4.350 -0.338 0.000 0.255 41 E C -2.258 174.209 176.600 -0.221 0.000 0.952 41 E CA -1.176 55.000 56.400 -0.373 0.000 0.947 41 E CB 0.428 29.879 29.700 -0.416 0.000 0.912 41 E HN 0.040 nan 8.360 nan 0.000 0.489 42 P HA -0.032 nan 4.420 nan 0.000 0.265 42 P C -0.658 176.466 177.300 -0.293 0.000 1.193 42 P CA 0.379 63.371 63.100 -0.179 0.000 0.765 42 P CB 0.983 32.606 31.700 -0.129 0.000 0.823 43 A N 3.625 126.083 122.820 -0.603 0.000 2.238 43 A HA 0.043 4.161 4.320 -0.338 0.000 0.208 43 A C 0.892 178.058 177.584 -0.696 0.000 1.177 43 A CA 0.113 51.396 52.037 -1.257 0.000 0.804 43 A CB -0.602 17.599 19.000 -1.331 0.000 0.823 43 A HN 0.485 nan 8.150 nan 0.000 0.482 44 V N 1.234 120.922 119.914 -0.377 0.000 2.814 44 V HA -0.048 3.869 4.120 -0.338 0.000 0.307 44 V C 0.660 176.646 176.094 -0.179 0.000 1.089 44 V CA 1.006 63.162 62.300 -0.240 0.000 1.212 44 V CB -0.353 31.375 31.823 -0.158 0.000 0.912 44 V HN 0.789 nan 8.190 nan 0.000 0.497 45 N N 3.231 121.843 118.700 -0.147 0.000 2.765 45 N HA -0.196 4.341 4.740 -0.338 0.000 0.248 45 N C 1.170 176.637 175.510 -0.071 0.000 1.063 45 N CA 1.312 54.307 53.050 -0.092 0.000 0.862 45 N CB -1.374 37.084 38.487 -0.048 0.000 1.145 45 N HN 1.018 nan 8.380 nan 0.000 0.581 46 G N 0.922 109.638 108.800 -0.139 0.000 2.708 46 G HA2 -0.206 3.552 3.960 -0.338 0.000 0.210 46 G HA3 -0.206 3.552 3.960 -0.338 0.000 0.210 46 G C 1.176 176.066 174.900 -0.017 0.000 1.141 46 G CA 0.998 46.072 45.100 -0.043 0.000 0.788 46 G HN 0.669 nan 8.290 nan 0.000 0.531 47 D N -0.203 120.151 120.400 -0.077 0.000 2.317 47 D HA -0.031 4.407 4.640 -0.338 0.000 0.211 47 D C 1.105 177.382 176.300 -0.038 0.000 0.966 47 D CA 0.233 54.188 54.000 -0.075 0.000 0.876 47 D CB -0.040 40.696 40.800 -0.106 0.000 0.927 47 D HN 0.171 nan 8.370 nan 0.000 0.519 48 S N 1.166 116.857 115.700 -0.015 0.000 2.452 48 S HA 0.280 4.547 4.470 -0.338 0.000 0.284 48 S C -1.844 172.770 174.600 0.024 0.000 1.171 48 S CA -1.476 56.723 58.200 -0.001 0.000 1.064 48 S CB 1.751 64.949 63.200 -0.004 0.000 0.967 48 S HN -0.265 nan 8.310 nan 0.000 0.484 49 P HA -0.085 nan 4.420 nan 0.000 0.220 49 P C 0.226 177.540 177.300 0.023 0.000 1.144 49 P CA 1.104 64.216 63.100 0.020 0.000 0.800 49 P CB 0.108 31.814 31.700 0.009 0.000 0.772 50 D N -1.744 118.668 120.400 0.021 0.000 2.354 50 D HA 0.003 4.441 4.640 -0.338 0.000 0.209 50 D C 0.629 176.948 176.300 0.031 0.000 1.015 50 D CA 0.373 54.385 54.000 0.020 0.000 0.867 50 D CB -0.359 40.448 40.800 0.011 0.000 0.933 50 D HN 0.204 nan 8.370 nan 0.000 0.520 51 S N 1.213 116.940 115.700 0.045 0.000 2.558 51 S HA 0.030 4.297 4.470 -0.338 0.000 0.287 51 S C -1.714 172.937 174.600 0.085 0.000 1.321 51 S CA -0.820 57.420 58.200 0.066 0.000 1.048 51 S CB 1.411 64.669 63.200 0.097 0.000 0.844 51 S HN -0.173 nan 8.310 nan 0.000 0.512 52 P HA -0.113 nan 4.420 nan 0.000 0.217 52 P C 1.127 178.514 177.300 0.146 0.000 1.148 52 P CA 0.930 64.084 63.100 0.090 0.000 0.828 52 P CB -0.082 31.663 31.700 0.075 0.000 0.783 53 F N 0.668 120.644 119.950 0.043 0.000 2.102 53 F HA -0.206 4.117 4.527 -0.339 0.000 0.298 53 F C 2.154 178.052 175.800 0.163 0.000 1.105 53 F CA 1.652 59.712 58.000 0.100 0.000 1.239 53 F CB -0.610 38.390 39.000 0.000 0.000 0.991 53 F HN -0.163 nan 8.300 nan 0.000 0.474 54 Q N 0.303 120.143 119.800 0.068 0.000 2.123 54 Q HA -0.179 3.959 4.340 -0.338 0.000 0.199 54 Q C 2.213 178.174 176.000 -0.066 0.000 0.966 54 Q CA 1.595 57.372 55.803 -0.042 0.000 0.845 54 Q CB -0.625 28.144 28.738 0.053 0.000 0.907 54 Q HN 0.614 nan 8.270 nan 0.000 0.439 55 Q N 0.662 120.452 119.800 -0.015 0.000 2.050 55 Q HA -0.127 4.011 4.340 -0.338 0.000 0.202 55 Q C 1.934 177.899 176.000 -0.058 0.000 0.980 55 Q CA 1.195 56.986 55.803 -0.020 0.000 0.840 55 Q CB -0.058 28.684 28.738 0.008 0.000 0.898 55 Q HN 0.295 nan 8.270 nan 0.000 0.424 56 K N 0.211 120.579 120.400 -0.052 0.000 2.288 56 K HA -0.090 4.028 4.320 -0.338 0.000 0.201 56 K C 1.977 178.339 176.600 -0.397 0.000 1.048 56 K CA 0.516 56.749 56.287 -0.090 0.000 0.956 56 K CB -0.006 32.572 32.500 0.131 0.000 0.746 56 K HN 0.101 nan 8.250 nan 0.000 0.461 57 L N 0.938 121.862 121.223 -0.498 0.000 2.095 57 L HA 0.019 4.157 4.340 -0.338 0.000 0.204 57 L C 2.204 178.813 176.870 -0.435 0.000 1.080 57 L CA 1.489 55.847 54.840 -0.803 0.000 0.759 57 L CB -0.556 41.118 42.059 -0.642 0.000 0.914 57 L HN 0.048 nan 8.230 nan 0.000 0.439 58 A N 0.034 122.758 122.820 -0.160 0.000 1.858 58 A HA -0.081 4.037 4.320 -0.338 0.000 0.216 58 A C 2.491 180.064 177.584 -0.017 0.000 1.190 58 A CA 1.897 53.941 52.037 0.013 0.000 0.617 58 A CB -1.367 17.640 19.000 0.011 0.000 0.827 58 A HN 0.588 nan 8.150 nan 0.000 0.443 59 A N -0.837 121.937 122.820 -0.076 0.000 1.948 59 A HA -0.135 3.982 4.320 -0.338 0.000 0.220 59 A C 2.079 179.618 177.584 -0.074 0.000 1.177 59 A CA 1.945 53.948 52.037 -0.058 0.000 0.636 59 A CB -0.564 18.401 19.000 -0.059 0.000 0.815 59 A HN 0.526 nan 8.150 nan 0.000 0.449 60 L N -2.123 118.976 121.223 -0.206 0.000 2.217 60 L HA 0.080 4.217 4.340 -0.338 0.000 0.211 60 L C 1.972 178.773 176.870 -0.114 0.000 1.107 60 L CA 1.362 56.067 54.840 -0.225 0.000 0.783 60 L CB -0.825 40.920 42.059 -0.523 0.000 0.919 60 L HN 0.369 nan 8.230 nan 0.000 0.442 61 F N -0.645 119.253 119.950 -0.087 0.000 2.234 61 F HA 0.003 4.327 4.527 -0.339 0.000 0.296 61 F C 2.447 178.224 175.800 -0.039 0.000 1.089 61 F CA 0.801 58.767 58.000 -0.056 0.000 1.343 61 F CB -1.113 37.842 39.000 -0.074 0.000 1.040 61 F HN 0.114 nan 8.300 nan 0.000 0.498 62 A N -0.455 122.454 122.820 0.148 0.000 1.933 62 A HA -0.190 3.927 4.320 -0.338 0.000 0.218 62 A C 2.181 179.804 177.584 0.065 0.000 1.175 62 A CA 1.925 54.008 52.037 0.077 0.000 0.628 62 A CB -0.833 18.196 19.000 0.048 0.000 0.814 62 A HN 0.288 nan 8.150 nan 0.000 0.444 63 D N -0.042 120.414 120.400 0.093 0.000 2.084 63 D HA -0.115 4.322 4.640 -0.338 0.000 0.194 63 D C 2.293 178.656 176.300 0.106 0.000 0.990 63 D CA 1.604 55.694 54.000 0.151 0.000 0.826 63 D CB -0.191 40.755 40.800 0.242 0.000 0.971 63 D HN 0.375 nan 8.370 nan 0.000 0.453 64 A N 1.054 123.899 122.820 0.042 0.000 1.978 64 A HA -0.218 3.899 4.320 -0.338 0.000 0.220 64 A C 2.083 179.493 177.584 -0.290 0.000 1.170 64 A CA 1.470 53.236 52.037 -0.452 0.000 0.636 64 A CB -0.311 18.544 19.000 -0.243 0.000 0.810 64 A HN 0.182 nan 8.150 nan 0.000 0.448 65 K N -0.611 119.734 120.400 -0.092 0.000 2.062 65 K HA 0.069 4.186 4.320 -0.338 0.000 0.205 65 K C 2.266 178.827 176.600 -0.064 0.000 1.051 65 K CA 0.940 57.186 56.287 -0.068 0.000 0.941 65 K CB -0.266 32.221 32.500 -0.022 0.000 0.719 65 K HN 0.408 nan 8.250 nan 0.000 0.440 66 A N 0.912 123.712 122.820 -0.033 0.000 2.070 66 A HA -0.167 3.951 4.320 -0.338 0.000 0.220 66 A C 1.692 179.265 177.584 -0.018 0.000 1.159 66 A CA 1.313 53.343 52.037 -0.011 0.000 0.656 66 A CB -0.175 18.837 19.000 0.020 0.000 0.800 66 A HN 0.203 nan 8.150 nan 0.000 0.453 67 Q N -1.403 118.365 119.800 -0.053 0.000 2.246 67 Q HA 0.348 4.485 4.340 -0.338 0.000 0.202 67 Q C 0.883 176.823 176.000 -0.099 0.000 0.883 67 Q CA 0.672 56.445 55.803 -0.050 0.000 0.952 67 Q CB 0.235 28.962 28.738 -0.017 0.000 1.078 67 Q HN 0.824 nan 8.270 nan 0.000 0.493 68 G N 0.718 109.455 108.800 -0.106 0.000 2.198 68 G HA2 -0.255 3.503 3.960 -0.338 0.000 0.257 68 G HA3 -0.255 3.503 3.960 -0.338 0.000 0.257 68 G C -0.087 174.736 174.900 -0.128 0.000 1.042 68 G CA -0.202 44.841 45.100 -0.096 0.000 0.791 68 G HN 0.345 nan 8.290 nan 0.000 0.502 69 I N 0.456 120.909 120.570 -0.194 0.000 2.396 69 I HA 0.172 4.140 4.170 -0.338 0.000 0.289 69 I C 0.635 176.681 176.117 -0.119 0.000 1.056 69 I CA -0.314 60.870 61.300 -0.192 0.000 1.365 69 I CB 1.090 38.896 38.000 -0.322 0.000 1.407 69 I HN -0.101 nan 8.210 nan 0.000 0.509 70 K N 7.310 127.645 120.400 -0.108 0.000 2.273 70 K HA 0.133 4.250 4.320 -0.338 0.000 0.287 70 K C -0.410 176.155 176.600 -0.059 0.000 1.089 70 K CA -0.067 56.163 56.287 -0.095 0.000 0.909 70 K CB 0.261 32.686 32.500 -0.124 0.000 1.123 70 K HN 0.584 nan 8.250 nan 0.000 0.473 71 N N 2.096 120.797 118.700 0.001 0.000 2.729 71 N HA -0.110 4.427 4.740 -0.338 0.000 0.259 71 N C -2.741 172.896 175.510 0.212 0.000 1.119 71 N CA 0.074 53.188 53.050 0.106 0.000 0.679 71 N CB -0.935 37.686 38.487 0.222 0.000 0.892 71 N HN 0.372 nan 8.380 nan 0.000 0.558 72 P HA 0.243 nan 4.420 nan 0.000 0.276 72 P C 0.080 177.510 177.300 0.216 0.000 1.230 72 P CA -0.297 62.925 63.100 0.203 0.000 0.776 72 P CB 0.984 32.845 31.700 0.268 0.000 0.888 73 V N 0.474 120.520 119.914 0.220 0.000 2.715 73 V HA 0.703 4.621 4.120 -0.338 0.000 0.310 73 V C -0.312 175.914 176.094 0.220 0.000 1.054 73 V CA -1.234 61.161 62.300 0.157 0.000 0.928 73 V CB 1.913 33.576 31.823 -0.266 0.000 1.007 73 V HN 0.338 nan 8.190 nan 0.000 0.437 74 M N 5.898 125.670 119.600 0.287 0.000 2.088 74 M HA 0.679 4.956 4.480 -0.338 0.000 0.346 74 M C -0.569 175.728 176.300 -0.006 0.000 1.111 74 M CA -0.417 54.927 55.300 0.074 0.000 1.017 74 M CB 0.813 33.457 32.600 0.073 0.000 1.568 74 M HN 1.066 nan 8.290 nan 0.000 0.445 75 V N 3.321 123.055 119.914 -0.300 0.000 3.019 75 V HA 1.141 5.058 4.120 -0.338 0.000 0.317 75 V C 0.097 175.911 176.094 -0.467 0.000 1.094 75 V CA 0.296 62.195 62.300 -0.668 0.000 1.000 75 V CB 1.146 32.075 31.823 -1.490 0.000 1.060 75 V HN 1.200 nan 8.190 nan 0.000 0.443 76 G N 0.903 109.480 108.800 -0.371 0.000 2.255 76 G HA2 0.552 4.309 3.960 -0.338 0.000 0.216 76 G HA3 0.552 4.309 3.960 -0.338 0.000 0.216 76 G C -0.442 174.632 174.900 0.291 0.000 1.307 76 G CA -0.138 45.034 45.100 0.120 0.000 1.162 76 G HN 2.362 nan 8.290 nan 0.000 0.494 77 A N -0.737 122.238 122.820 0.257 0.000 2.455 77 A HA 0.834 4.951 4.320 -0.338 0.000 0.300 77 A C -0.812 176.829 177.584 0.094 0.000 1.040 77 A CA -0.428 51.725 52.037 0.192 0.000 0.697 77 A CB 1.247 20.329 19.000 0.137 0.000 1.265 77 A HN 1.188 nan 8.150 nan 0.000 0.407 78 I N 3.364 123.939 120.570 0.008 0.000 2.441 78 I HA 0.431 4.399 4.170 -0.338 0.000 0.295 78 I C -2.092 173.975 176.117 -0.084 0.000 0.994 78 I CA -2.329 58.910 61.300 -0.100 0.000 1.144 78 I CB 2.660 40.509 38.000 -0.252 0.000 1.314 78 I HN 0.469 nan 8.210 nan 0.000 0.445 79 P HA 0.014 nan 4.420 nan 0.000 0.274 79 P C 0.671 177.992 177.300 0.037 0.000 1.237 79 P CA -0.210 62.879 63.100 -0.017 0.000 0.793 79 P CB 0.831 32.514 31.700 -0.029 0.000 0.977 80 F N 1.338 121.288 119.950 0.000 0.000 2.063 80 F HA -0.219 4.105 4.527 -0.338 0.000 0.298 80 F C 0.784 176.605 175.800 0.034 0.000 1.109 80 F CA 1.884 59.925 58.000 0.068 0.000 1.212 80 F CB -0.410 38.629 39.000 0.064 0.000 0.973 80 F HN 0.206 nan 8.300 nan 0.000 0.480 81 D N 1.262 121.610 120.400 -0.087 0.000 2.396 81 D HA 0.182 4.619 4.640 -0.338 0.000 0.225 81 D C -2.007 174.199 176.300 -0.157 0.000 1.121 81 D CA -2.848 51.034 54.000 -0.196 0.000 0.853 81 D CB 1.083 41.871 40.800 -0.019 0.000 1.043 81 D HN 0.067 nan 8.370 nan 0.000 0.500 82 P HA 0.030 nan 4.420 nan 0.000 0.245 82 P C 0.908 178.087 177.300 -0.201 0.000 1.212 82 P CA 0.208 63.168 63.100 -0.233 0.000 0.774 82 P CB 0.365 31.892 31.700 -0.289 0.000 0.999 83 R N -0.526 119.887 120.500 -0.146 0.000 2.193 83 R HA 0.057 4.195 4.340 -0.338 0.000 0.213 83 R C 1.179 177.422 176.300 -0.095 0.000 1.055 83 R CA 0.461 56.495 56.100 -0.111 0.000 0.995 83 R CB -0.100 30.151 30.300 -0.083 0.000 0.893 83 R HN 0.425 nan 8.270 nan 0.000 0.459 84 Q N 1.387 121.133 119.800 -0.089 0.000 2.354 84 Q HA 0.174 4.311 4.340 -0.338 0.000 0.244 84 Q C -2.241 173.702 176.000 -0.094 0.000 0.969 84 Q CA -2.123 53.637 55.803 -0.071 0.000 0.885 84 Q CB 0.447 29.157 28.738 -0.045 0.000 1.241 84 Q HN -0.010 nan 8.270 nan 0.000 0.461 85 P HA -0.029 nan 4.420 nan 0.000 0.269 85 P C -0.823 176.419 177.300 -0.097 0.000 1.215 85 P CA 0.151 63.194 63.100 -0.095 0.000 0.780 85 P CB 0.726 32.384 31.700 -0.070 0.000 0.898 86 S N 0.468 116.096 115.700 -0.121 0.000 2.672 86 S HA 0.317 4.585 4.470 -0.338 0.000 0.276 86 S C 0.471 175.059 174.600 -0.020 0.000 1.207 86 S CA -0.483 57.666 58.200 -0.085 0.000 1.002 86 S CB 0.485 63.625 63.200 -0.100 0.000 0.998 86 S HN 0.340 nan 8.310 nan 0.000 0.542 87 S N 1.633 117.359 115.700 0.043 0.000 2.312 87 S HA 0.324 4.592 4.470 -0.338 0.000 0.211 87 S C -0.793 173.928 174.600 0.203 0.000 1.315 87 S CA -0.503 57.764 58.200 0.112 0.000 1.267 87 S CB -0.406 62.859 63.200 0.109 0.000 1.072 87 S HN 0.286 nan 8.310 nan 0.000 0.490 88 L N 2.398 123.747 121.223 0.210 0.000 2.352 88 L HA 0.712 4.849 4.340 -0.338 0.000 0.269 88 L C -0.267 176.820 176.870 0.363 0.000 1.034 88 L CA -1.062 53.940 54.840 0.271 0.000 0.806 88 L CB 0.448 42.711 42.059 0.339 0.000 1.244 88 L HN 0.574 nan 8.230 nan 0.000 0.447 89 Y N -0.709 119.664 120.300 0.121 0.000 2.604 89 Y HA 0.608 4.952 4.550 -0.342 0.000 0.331 89 Y C -1.182 174.763 175.900 0.075 0.000 1.158 89 Y CA -1.240 56.919 58.100 0.097 0.000 1.056 89 Y CB 0.699 39.217 38.460 0.097 0.000 1.330 89 Y HN 0.378 nan 8.280 nan 0.000 0.457 90 I N 5.608 126.283 120.570 0.175 0.000 2.337 90 I HA 0.305 4.273 4.170 -0.338 0.000 0.291 90 I C -2.101 174.226 176.117 0.349 0.000 1.046 90 I CA -1.915 59.487 61.300 0.170 0.000 1.324 90 I CB 1.255 39.410 38.000 0.258 0.000 1.409 90 I HN 0.420 nan 8.210 nan 0.000 0.494 91 P HA 0.120 nan 4.420 nan 0.000 0.277 91 P C 0.146 177.636 177.300 0.315 0.000 1.271 91 P CA -0.216 63.117 63.100 0.388 0.000 0.795 91 P CB 1.288 33.186 31.700 0.331 0.000 1.101 92 E N -0.620 119.746 120.200 0.278 0.000 2.158 92 E HA 0.012 4.160 4.350 -0.338 0.000 0.191 92 E C 0.410 177.073 176.600 0.106 0.000 0.982 92 E CA 0.823 57.333 56.400 0.183 0.000 0.823 92 E CB 0.143 29.939 29.700 0.159 0.000 0.766 92 E HN 0.341 nan 8.360 nan 0.000 0.468 93 S N -0.893 114.892 115.700 0.141 0.000 2.556 93 S HA 0.567 4.834 4.470 -0.338 0.000 0.271 93 S C -2.078 172.634 174.600 0.187 0.000 1.135 93 S CA -0.932 57.299 58.200 0.053 0.000 0.858 93 S CB 0.561 63.777 63.200 0.026 0.000 1.114 93 S HN 0.315 nan 8.310 nan 0.000 0.468 94 W N 2.441 123.754 121.300 0.022 0.000 3.138 94 W HA 0.687 5.143 4.660 -0.340 0.000 0.331 94 W C -2.075 174.456 176.519 0.020 0.000 1.166 94 W CA -0.900 56.472 57.345 0.044 0.000 1.212 94 W CB 0.955 30.350 29.460 -0.108 0.000 1.399 94 W HN 0.529 nan 8.180 nan 0.000 0.514 95 Q N 2.615 122.681 119.800 0.443 0.000 2.397 95 Q HA 0.242 4.380 4.340 -0.338 0.000 0.260 95 Q C 0.099 176.357 176.000 0.430 0.000 1.002 95 Q CA -0.415 55.552 55.803 0.273 0.000 0.716 95 Q CB 2.054 30.892 28.738 0.165 0.000 1.258 95 Q HN 0.453 nan 8.270 nan 0.000 0.477 96 S N 1.639 117.588 115.700 0.415 0.000 2.584 96 S HA 0.667 4.934 4.470 -0.338 0.000 0.270 96 S C -0.106 174.666 174.600 0.287 0.000 1.346 96 S CA -0.475 57.918 58.200 0.322 0.000 1.018 96 S CB 0.288 63.613 63.200 0.208 0.000 0.899 96 S HN 0.514 nan 8.310 nan 0.000 0.542 97 F N -1.262 118.732 119.950 0.073 0.000 2.664 97 F HA 0.749 5.075 4.527 -0.336 0.000 0.317 97 F C -0.316 175.491 175.800 0.011 0.000 1.108 97 F CA -1.206 56.813 58.000 0.031 0.000 0.957 97 F CB 1.301 40.312 39.000 0.018 0.000 1.365 97 F HN 0.575 nan 8.300 nan 0.000 0.475 98 S N 1.804 117.640 115.700 0.228 0.000 2.416 98 S HA 0.234 4.502 4.470 -0.338 0.000 0.287 98 S C 1.204 175.897 174.600 0.155 0.000 1.139 98 S CA -0.492 57.767 58.200 0.099 0.000 1.058 98 S CB 0.366 63.632 63.200 0.109 0.000 0.967 98 S HN 0.915 nan 8.310 nan 0.000 0.495 99 R N 3.666 124.138 120.500 -0.046 0.000 2.096 99 R HA -0.229 3.909 4.340 -0.338 0.000 0.240 99 R C 2.295 178.647 176.300 0.087 0.000 1.139 99 R CA 2.526 58.634 56.100 0.013 0.000 0.952 99 R CB -0.422 29.825 30.300 -0.089 0.000 0.854 99 R HN 0.939 nan 8.270 nan 0.000 0.436 100 Q N -0.041 119.788 119.800 0.048 0.000 2.084 100 Q HA -0.202 3.935 4.340 -0.338 0.000 0.202 100 Q C 1.772 177.810 176.000 0.064 0.000 0.978 100 Q CA 1.895 57.725 55.803 0.045 0.000 0.844 100 Q CB -0.239 28.516 28.738 0.028 0.000 0.898 100 Q HN 0.343 nan 8.270 nan 0.000 0.426 101 E N 0.680 120.932 120.200 0.086 0.000 2.038 101 E HA -0.176 3.972 4.350 -0.338 0.000 0.195 101 E C 1.919 178.573 176.600 0.091 0.000 1.000 101 E CA 1.293 57.745 56.400 0.086 0.000 0.803 101 E CB -0.002 29.758 29.700 0.100 0.000 0.750 101 E HN 0.125 nan 8.360 nan 0.000 0.448 102 K N 0.616 121.108 120.400 0.153 0.000 2.103 102 K HA -0.161 3.956 4.320 -0.338 0.000 0.207 102 K C 1.986 178.632 176.600 0.077 0.000 1.048 102 K CA 1.403 57.763 56.287 0.122 0.000 0.930 102 K CB -0.191 32.470 32.500 0.267 0.000 0.716 102 K HN 0.281 nan 8.250 nan 0.000 0.444 103 Q N -0.585 119.263 119.800 0.081 0.000 2.096 103 Q HA -0.131 4.007 4.340 -0.338 0.000 0.204 103 Q C 2.075 178.089 176.000 0.023 0.000 0.982 103 Q CA 1.750 57.577 55.803 0.040 0.000 0.850 103 Q CB -0.209 28.546 28.738 0.029 0.000 0.901 103 Q HN 0.335 nan 8.270 nan 0.000 0.422 104 A N 0.992 123.829 122.820 0.028 0.000 1.855 104 A HA -0.193 3.924 4.320 -0.338 0.000 0.215 104 A C 2.324 179.921 177.584 0.022 0.000 1.191 104 A CA 1.678 53.729 52.037 0.022 0.000 0.613 104 A CB -0.728 18.286 19.000 0.024 0.000 0.829 104 A HN 0.338 nan 8.150 nan 0.000 0.442 105 S N 0.809 116.522 115.700 0.022 0.000 2.389 105 S HA -0.259 4.008 4.470 -0.338 0.000 0.229 105 S C 2.278 176.893 174.600 0.024 0.000 1.048 105 S CA 1.818 60.029 58.200 0.019 0.000 1.117 105 S CB -1.022 62.174 63.200 -0.006 0.000 1.020 105 S HN 0.971 nan 8.310 nan 0.000 0.430 106 A N 1.573 124.385 122.820 -0.014 0.000 1.986 106 A HA -0.194 3.924 4.320 -0.338 0.000 0.220 106 A C 2.171 179.772 177.584 0.029 0.000 1.171 106 A CA 1.947 53.961 52.037 -0.039 0.000 0.640 106 A CB -0.657 18.290 19.000 -0.087 0.000 0.811 106 A HN 0.472 nan 8.150 nan 0.000 0.451 107 R N -1.001 119.514 120.500 0.024 0.000 2.092 107 R HA -0.104 4.034 4.340 -0.338 0.000 0.231 107 R C 2.318 178.646 176.300 0.046 0.000 1.119 107 R CA 1.349 57.465 56.100 0.027 0.000 0.970 107 R CB -0.131 30.176 30.300 0.011 0.000 0.864 107 R HN 0.489 nan 8.270 nan 0.000 0.440 108 R N 0.229 120.763 120.500 0.056 0.000 2.107 108 R HA -0.097 4.041 4.340 -0.338 0.000 0.223 108 R C 0.468 176.819 176.300 0.084 0.000 1.138 108 R CA 1.298 57.429 56.100 0.052 0.000 0.900 108 R CB -0.802 29.526 30.300 0.046 0.000 0.814 108 R HN 0.135 nan 8.270 nan 0.000 0.437 109 F N 1.971 121.894 119.950 -0.044 0.000 1.897 109 F HA -0.278 4.051 4.527 -0.329 0.000 0.410 109 F C 0.963 176.733 175.800 -0.052 0.000 0.948 109 F CA 0.928 58.897 58.000 -0.052 0.000 0.871 109 F CB 0.278 39.238 39.000 -0.068 0.000 0.677 109 F HN 0.345 nan 8.300 nan 0.000 0.479 110 T N 2.687 117.019 114.554 -0.369 0.000 3.033 110 T HA 0.006 4.153 4.350 -0.338 0.000 0.248 110 T C 1.139 175.602 174.700 -0.394 0.000 1.040 110 T CA 0.131 62.073 62.100 -0.263 0.000 1.133 110 T CB -0.148 68.616 68.868 -0.173 0.000 0.895 110 T HN 0.667 nan 8.240 nan 0.000 0.465 111 R N 1.778 121.871 120.500 -0.678 0.000 2.504 111 R HA 0.243 4.381 4.340 -0.338 0.000 0.291 111 R C -0.771 175.297 176.300 -0.386 0.000 0.974 111 R CA 0.340 56.110 56.100 -0.550 0.000 1.077 111 R CB 0.051 29.992 30.300 -0.599 0.000 0.926 111 R HN 0.199 nan 8.270 nan 0.000 0.407 112 S N 1.995 117.607 115.700 -0.147 0.000 2.811 112 S HA 0.308 4.575 4.470 -0.338 0.000 0.311 112 S C -1.456 173.137 174.600 -0.012 0.000 1.152 112 S CA -0.833 57.353 58.200 -0.023 0.000 0.864 112 S CB 1.798 64.991 63.200 -0.012 0.000 1.226 112 S HN 0.722 nan 8.310 nan 0.000 0.541 113 Q N 1.377 121.181 119.800 0.007 0.000 2.320 113 Q HA 0.419 4.556 4.340 -0.338 0.000 0.268 113 Q C -1.515 174.495 176.000 0.017 0.000 1.023 113 Q CA -0.345 55.464 55.803 0.011 0.000 0.744 113 Q CB 1.185 29.935 28.738 0.020 0.000 1.246 113 Q HN 0.587 nan 8.270 nan 0.000 0.462 114 S N 4.269 119.978 115.700 0.015 0.000 2.498 114 S HA 0.190 4.458 4.470 -0.338 0.000 0.281 114 S C -0.306 174.316 174.600 0.038 0.000 1.265 114 S CA -0.180 58.035 58.200 0.024 0.000 1.071 114 S CB 0.161 63.370 63.200 0.015 0.000 0.894 114 S HN 0.469 nan 8.310 nan 0.000 0.491 115 L N 3.934 125.190 121.223 0.055 0.000 2.330 115 L HA 0.537 4.675 4.340 -0.338 0.000 0.271 115 L C 0.027 176.930 176.870 0.055 0.000 1.013 115 L CA -0.474 54.407 54.840 0.068 0.000 0.816 115 L CB 1.503 43.632 42.059 0.115 0.000 1.287 115 L HN 0.499 nan 8.230 nan 0.000 0.435 116 N N 1.179 119.905 118.700 0.043 0.000 2.479 116 N HA 0.195 4.732 4.740 -0.338 0.000 0.261 116 N C -0.699 174.826 175.510 0.025 0.000 0.979 116 N CA -0.267 52.802 53.050 0.031 0.000 0.930 116 N CB 2.537 41.037 38.487 0.022 0.000 1.172 116 N HN 0.320 nan 8.380 nan 0.000 0.499 117 V N 3.990 123.915 119.914 0.019 0.000 2.446 117 V HA 0.064 3.982 4.120 -0.338 0.000 0.276 117 V C 0.914 177.006 176.094 -0.002 0.000 1.030 117 V CA 0.246 62.546 62.300 0.000 0.000 1.033 117 V CB 0.308 32.122 31.823 -0.014 0.000 0.993 117 V HN 0.434 nan 8.190 nan 0.000 0.477 118 V N 5.498 125.410 119.914 -0.004 0.000 2.446 118 V HA 0.169 4.087 4.120 -0.338 0.000 0.244 118 V C 1.062 177.152 176.094 -0.007 0.000 1.039 118 V CA 1.504 63.803 62.300 -0.002 0.000 1.045 118 V CB -0.091 31.733 31.823 0.001 0.000 0.681 118 V HN 0.958 nan 8.190 nan 0.000 0.459 119 E N -0.216 119.976 120.200 -0.015 0.000 2.314 119 E HA 0.512 4.659 4.350 -0.338 0.000 0.272 119 E C -0.895 175.685 176.600 -0.032 0.000 0.884 119 E CA -0.741 55.648 56.400 -0.017 0.000 0.753 119 E CB 2.241 31.934 29.700 -0.012 0.000 1.213 119 E HN 0.185 nan 8.360 nan 0.000 0.432 120 R N 2.846 123.328 120.500 -0.029 0.000 2.532 120 R HA 0.317 4.454 4.340 -0.338 0.000 0.297 120 R C -1.664 174.619 176.300 -0.028 0.000 0.984 120 R CA -0.532 55.542 56.100 -0.043 0.000 0.884 120 R CB 1.618 31.893 30.300 -0.041 0.000 1.182 120 R HN 0.420 nan 8.270 nan 0.000 0.442 121 Q N 2.794 122.571 119.800 -0.038 0.000 2.263 121 Q HA 0.499 4.636 4.340 -0.338 0.000 0.262 121 Q C -1.822 174.160 176.000 -0.031 0.000 0.984 121 Q CA -0.370 55.421 55.803 -0.020 0.000 0.813 121 Q CB 2.303 31.033 28.738 -0.014 0.000 1.299 121 Q HN 0.732 nan 8.270 nan 0.000 0.428 122 A N 4.653 127.475 122.820 0.003 0.000 2.309 122 A HA 0.668 4.785 4.320 -0.338 0.000 0.290 122 A C -0.759 176.843 177.584 0.029 0.000 1.206 122 A CA -0.232 51.813 52.037 0.013 0.000 0.850 122 A CB -0.036 19.047 19.000 0.138 0.000 1.118 122 A HN 0.692 nan 8.150 nan 0.000 0.523 123 I N 5.813 126.363 120.570 -0.032 0.000 2.411 123 I HA 0.347 4.314 4.170 -0.338 0.000 0.284 123 I C -2.038 174.088 176.117 0.015 0.000 1.012 123 I CA -1.778 59.520 61.300 -0.003 0.000 1.119 123 I CB 2.173 40.141 38.000 -0.054 0.000 1.261 123 I HN 0.495 nan 8.210 nan 0.000 0.448 124 P HA 0.285 nan 4.420 nan 0.000 0.302 124 P C -0.447 176.991 177.300 0.230 0.000 1.307 124 P CA -0.428 62.798 63.100 0.210 0.000 0.754 124 P CB 0.951 32.815 31.700 0.273 0.000 1.298 125 E N -0.958 119.338 120.200 0.161 0.000 2.322 125 E HA 0.074 4.222 4.350 -0.338 0.000 0.257 125 E C 1.347 177.878 176.600 -0.114 0.000 1.155 125 E CA -0.524 55.926 56.400 0.084 0.000 0.936 125 E CB 0.416 30.124 29.700 0.013 0.000 1.130 125 E HN 0.403 nan 8.360 nan 0.000 0.465 126 Q N 0.200 119.634 119.800 -0.609 0.000 2.002 126 Q HA -0.193 3.944 4.340 -0.338 0.000 0.204 126 Q C 1.798 177.494 176.000 -0.508 0.000 0.988 126 Q CA 2.345 57.368 55.803 -1.300 0.000 0.843 126 Q CB -0.091 27.692 28.738 -1.590 0.000 0.908 126 Q HN 0.565 nan 8.270 nan 0.000 0.420 127 T N 0.193 114.563 114.554 -0.307 0.000 2.720 127 T HA -0.139 4.009 4.350 -0.338 0.000 0.268 127 T C 1.793 176.457 174.700 -0.060 0.000 1.037 127 T CA 1.713 63.719 62.100 -0.155 0.000 1.144 127 T CB -0.451 68.348 68.868 -0.116 0.000 0.864 127 T HN 0.424 nan 8.240 nan 0.000 0.444 128 T N 1.583 116.129 114.554 -0.013 0.000 2.708 128 T HA -0.059 4.088 4.350 -0.338 0.000 0.266 128 T C 1.536 176.303 174.700 0.112 0.000 1.037 128 T CA 1.054 63.186 62.100 0.053 0.000 1.146 128 T CB -0.513 68.407 68.868 0.087 0.000 0.865 128 T HN 0.363 nan 8.240 nan 0.000 0.435 129 F N 1.978 121.957 119.950 0.049 0.000 2.171 129 F HA -0.084 4.243 4.527 -0.333 0.000 0.300 129 F C 2.247 178.111 175.800 0.106 0.000 1.090 129 F CA 1.325 59.411 58.000 0.143 0.000 1.293 129 F CB -0.244 38.965 39.000 0.348 0.000 1.013 129 F HN 0.214 nan 8.300 nan 0.000 0.486 130 E N -0.456 119.772 120.200 0.047 0.000 2.106 130 E HA -0.235 3.913 4.350 -0.338 0.000 0.192 130 E C 2.139 178.681 176.600 -0.096 0.000 0.984 130 E CA 1.249 57.621 56.400 -0.045 0.000 0.806 130 E CB -0.231 29.464 29.700 -0.008 0.000 0.750 130 E HN 0.604 nan 8.360 nan 0.000 0.458 131 Q N 0.135 119.894 119.800 -0.069 0.000 2.119 131 Q HA -0.131 4.007 4.340 -0.338 0.000 0.201 131 Q C 2.172 178.118 176.000 -0.090 0.000 0.972 131 Q CA 1.248 57.014 55.803 -0.062 0.000 0.847 131 Q CB -0.090 28.627 28.738 -0.036 0.000 0.903 131 Q HN 0.327 nan 8.270 nan 0.000 0.433 132 M N -0.187 119.335 119.600 -0.129 0.000 2.080 132 M HA -0.194 4.083 4.480 -0.338 0.000 0.260 132 M C 2.259 178.434 176.300 -0.209 0.000 1.068 132 M CA 1.278 56.480 55.300 -0.164 0.000 1.109 132 M CB -0.400 32.084 32.600 -0.194 0.000 1.342 132 M HN 0.047 nan 8.290 nan 0.000 0.405 133 V N 0.560 120.281 119.914 -0.323 0.000 2.287 133 V HA -0.299 3.619 4.120 -0.338 0.000 0.248 133 V C 2.661 178.685 176.094 -0.117 0.000 1.053 133 V CA 2.120 64.274 62.300 -0.243 0.000 1.027 133 V CB -1.336 30.337 31.823 -0.250 0.000 0.646 133 V HN 0.558 nan 8.190 nan 0.000 0.447 134 A N -0.392 122.371 122.820 -0.095 0.000 1.902 134 A HA -0.225 3.893 4.320 -0.338 0.000 0.217 134 A C 2.412 179.969 177.584 -0.045 0.000 1.181 134 A CA 1.714 53.719 52.037 -0.052 0.000 0.623 134 A CB -0.541 18.434 19.000 -0.043 0.000 0.818 134 A HN 0.358 nan 8.150 nan 0.000 0.443 135 R N -0.134 120.333 120.500 -0.056 0.000 2.073 135 R HA -0.090 4.047 4.340 -0.338 0.000 0.234 135 R C 2.346 178.623 176.300 -0.038 0.000 1.134 135 R CA 1.702 57.776 56.100 -0.043 0.000 0.952 135 R CB -0.896 29.376 30.300 -0.047 0.000 0.850 135 R HN 0.470 nan 8.270 nan 0.000 0.433 136 A N 0.405 123.195 122.820 -0.050 0.000 1.898 136 A HA -0.040 4.077 4.320 -0.338 0.000 0.216 136 A C 2.344 179.920 177.584 -0.014 0.000 1.181 136 A CA 1.721 53.737 52.037 -0.034 0.000 0.620 136 A CB -0.626 18.347 19.000 -0.045 0.000 0.819 136 A HN 0.421 nan 8.150 nan 0.000 0.442 137 A N -0.121 122.689 122.820 -0.016 0.000 1.933 137 A HA 0.163 4.281 4.320 -0.338 0.000 0.218 137 A C 2.458 180.046 177.584 0.007 0.000 1.175 137 A CA 1.997 54.037 52.037 0.004 0.000 0.628 137 A CB -0.890 18.113 19.000 0.004 0.000 0.814 137 A HN 1.009 nan 8.150 nan 0.000 0.444 138 A N -0.284 122.533 122.820 -0.004 0.000 1.898 138 A HA 0.002 4.120 4.320 -0.338 0.000 0.216 138 A C 2.139 179.723 177.584 0.001 0.000 1.181 138 A CA 1.404 53.439 52.037 -0.002 0.000 0.620 138 A CB -0.540 18.455 19.000 -0.009 0.000 0.819 138 A HN 0.466 nan 8.150 nan 0.000 0.442 139 L N 0.020 121.242 121.223 -0.002 0.000 2.093 139 L HA -0.140 3.997 4.340 -0.338 0.000 0.208 139 L C 2.848 179.725 176.870 0.011 0.000 1.085 139 L CA 1.716 56.555 54.840 -0.001 0.000 0.755 139 L CB -0.777 41.276 42.059 -0.010 0.000 0.904 139 L HN 0.633 nan 8.230 nan 0.000 0.435 140 T N -3.151 111.417 114.554 0.022 0.000 3.035 140 T HA 0.003 4.151 4.350 -0.338 0.000 0.268 140 T C 1.691 176.423 174.700 0.054 0.000 1.109 140 T CA 0.745 62.873 62.100 0.046 0.000 1.119 140 T CB -0.100 68.808 68.868 0.066 0.000 0.900 140 T HN 0.300 nan 8.240 nan 0.000 0.503 141 A N 1.702 124.544 122.820 0.036 0.000 2.123 141 A HA 0.276 4.393 4.320 -0.338 0.000 0.214 141 A C 1.669 179.267 177.584 0.023 0.000 1.152 141 A CA 0.710 52.765 52.037 0.030 0.000 0.728 141 A CB -0.637 18.374 19.000 0.019 0.000 0.814 141 A HN 0.686 nan 8.150 nan 0.000 0.464 142 T N -3.684 110.881 114.554 0.019 0.000 2.862 142 T HA 0.460 4.608 4.350 -0.338 0.000 0.276 142 T C -2.091 172.620 174.700 0.018 0.000 0.974 142 T CA -1.475 60.632 62.100 0.013 0.000 0.966 142 T CB 0.983 69.853 68.868 0.004 0.000 1.072 142 T HN -0.017 nan 8.240 nan 0.000 0.538 143 P HA 0.095 nan 4.420 nan 0.000 0.245 143 P C 1.296 178.595 177.300 -0.001 0.000 1.212 143 P CA 0.205 63.313 63.100 0.013 0.000 0.774 143 P CB -0.005 31.701 31.700 0.010 0.000 0.999 144 Q N -0.227 119.568 119.800 -0.009 0.000 2.226 144 Q HA -0.027 4.110 4.340 -0.338 0.000 0.204 144 Q C 0.066 176.042 176.000 -0.039 0.000 0.975 144 Q CA 0.924 56.712 55.803 -0.026 0.000 0.866 144 Q CB 0.189 28.912 28.738 -0.025 0.000 0.915 144 Q HN 0.103 nan 8.270 nan 0.000 0.440 145 V N -0.536 119.368 119.914 -0.017 0.000 3.177 145 V HA 0.099 4.016 4.120 -0.338 0.000 0.287 145 V C -1.419 174.699 176.094 0.040 0.000 1.465 145 V CA -0.644 61.646 62.300 -0.017 0.000 1.020 145 V CB 2.310 34.116 31.823 -0.028 0.000 1.152 145 V HN 0.193 nan 8.190 nan 0.000 0.448 146 D N 2.091 122.541 120.400 0.084 0.000 2.470 146 D HA 0.254 4.691 4.640 -0.338 0.000 0.238 146 D C 0.213 176.593 176.300 0.135 0.000 1.054 146 D CA 0.468 54.559 54.000 0.152 0.000 0.896 146 D CB 0.808 41.765 40.800 0.262 0.000 1.118 146 D HN 0.466 nan 8.370 nan 0.000 0.497 147 K N 0.730 121.203 120.400 0.122 0.000 2.543 147 K HA 0.472 4.589 4.320 -0.338 0.000 0.255 147 K C -1.972 174.676 176.600 0.079 0.000 0.934 147 K CA -0.475 55.870 56.287 0.096 0.000 0.810 147 K CB 2.548 35.104 32.500 0.093 0.000 1.315 147 K HN -0.296 nan 8.250 nan 0.000 0.433 148 V N 3.440 123.389 119.914 0.059 0.000 2.577 148 V HA 0.363 4.281 4.120 -0.338 0.000 0.303 148 V C -0.597 175.529 176.094 0.053 0.000 1.042 148 V CA -1.007 61.321 62.300 0.047 0.000 0.872 148 V CB 1.819 33.652 31.823 0.017 0.000 0.998 148 V HN 0.525 nan 8.190 nan 0.000 0.423 149 V N 6.370 126.325 119.914 0.069 0.000 2.406 149 V HA 0.438 4.355 4.120 -0.338 0.000 0.272 149 V C -0.064 176.068 176.094 0.065 0.000 1.043 149 V CA -0.201 62.144 62.300 0.076 0.000 0.915 149 V CB 1.181 33.063 31.823 0.098 0.000 0.988 149 V HN 0.610 nan 8.190 nan 0.000 0.466 150 L N 5.074 126.348 121.223 0.086 0.000 2.334 150 L HA 0.741 4.879 4.340 -0.338 0.000 0.276 150 L C 0.264 177.297 176.870 0.272 0.000 1.014 150 L CA -0.147 54.772 54.840 0.132 0.000 0.815 150 L CB 2.236 44.321 42.059 0.042 0.000 1.268 150 L HN 0.790 nan 8.230 nan 0.000 0.428 151 S N 1.985 117.888 115.700 0.339 0.000 2.709 151 S HA 0.919 5.186 4.470 -0.338 0.000 0.302 151 S C -0.767 174.072 174.600 0.398 0.000 1.127 151 S CA -0.965 57.376 58.200 0.235 0.000 0.905 151 S CB 2.667 65.945 63.200 0.129 0.000 1.151 151 S HN 0.781 nan 8.310 nan 0.000 0.510 152 R N -0.775 119.670 120.500 -0.091 0.000 2.766 152 R HA 0.802 4.939 4.340 -0.338 0.000 0.270 152 R C -2.159 173.862 176.300 -0.464 0.000 1.035 152 R CA -1.062 54.899 56.100 -0.232 0.000 0.911 152 R CB 0.417 30.419 30.300 -0.498 0.000 1.243 152 R HN 0.432 nan 8.270 nan 0.000 0.460 153 L N 1.100 122.037 121.223 -0.476 0.000 2.354 153 L HA 0.592 4.730 4.340 -0.338 0.000 0.264 153 L C -0.678 176.015 176.870 -0.295 0.000 1.008 153 L CA -1.039 53.545 54.840 -0.427 0.000 0.819 153 L CB 2.008 43.766 42.059 -0.501 0.000 1.339 153 L HN 0.627 nan 8.230 nan 0.000 0.420 154 I N 2.067 122.485 120.570 -0.253 0.000 2.410 154 I HA 0.283 4.250 4.170 -0.338 0.000 0.286 154 I C -0.802 175.223 176.117 -0.155 0.000 1.009 154 I CA -0.633 60.555 61.300 -0.187 0.000 1.111 154 I CB 1.766 39.649 38.000 -0.195 0.000 1.262 154 I HN 0.396 nan 8.210 nan 0.000 0.443 155 D N 7.421 127.753 120.400 -0.114 0.000 2.225 155 D HA 0.518 4.955 4.640 -0.338 0.000 0.248 155 D C -0.370 175.870 176.300 -0.101 0.000 1.096 155 D CA 0.136 54.084 54.000 -0.088 0.000 0.863 155 D CB 1.935 42.704 40.800 -0.051 0.000 1.156 155 D HN 0.286 nan 8.370 nan 0.000 0.450 156 I N 1.796 122.292 120.570 -0.123 0.000 2.418 156 I HA 0.164 4.132 4.170 -0.338 0.000 0.287 156 I C -0.149 175.914 176.117 -0.089 0.000 1.008 156 I CA -0.523 60.695 61.300 -0.136 0.000 1.104 156 I CB 1.977 39.826 38.000 -0.253 0.000 1.264 156 I HN 0.064 nan 8.210 nan 0.000 0.438 157 T N 3.422 117.943 114.554 -0.054 0.000 2.771 157 T HA 0.479 4.627 4.350 -0.338 0.000 0.281 157 T C 0.259 174.948 174.700 -0.018 0.000 0.982 157 T CA -0.715 61.369 62.100 -0.026 0.000 0.978 157 T CB 1.286 70.147 68.868 -0.012 0.000 0.930 157 T HN 0.689 nan 8.240 nan 0.000 0.447 158 T N -0.945 113.608 114.554 -0.001 0.000 2.889 158 T HA 0.385 4.532 4.350 -0.338 0.000 0.278 158 T C 0.994 175.706 174.700 0.020 0.000 0.995 158 T CA -0.674 61.434 62.100 0.014 0.000 0.966 158 T CB 0.958 69.849 68.868 0.039 0.000 1.237 158 T HN 0.438 nan 8.240 nan 0.000 0.591 159 D N 0.854 121.269 120.400 0.024 0.000 2.097 159 D HA 0.199 4.636 4.640 -0.338 0.000 0.197 159 D C 0.856 177.170 176.300 0.024 0.000 0.984 159 D CA 0.962 54.975 54.000 0.022 0.000 0.826 159 D CB -0.568 40.245 40.800 0.022 0.000 0.973 159 D HN 0.847 nan 8.370 nan 0.000 0.460 160 A N -0.482 122.356 122.820 0.030 0.000 2.524 160 A HA 0.755 4.873 4.320 -0.338 0.000 0.286 160 A C -0.592 177.016 177.584 0.039 0.000 1.203 160 A CA -0.519 51.536 52.037 0.031 0.000 0.736 160 A CB 0.972 19.989 19.000 0.028 0.000 1.322 160 A HN 0.375 nan 8.150 nan 0.000 0.424 161 A N -0.259 122.583 122.820 0.037 0.000 2.520 161 A HA 0.466 4.583 4.320 -0.338 0.000 0.235 161 A C -0.114 177.503 177.584 0.055 0.000 1.065 161 A CA 0.333 52.397 52.037 0.044 0.000 0.764 161 A CB -0.501 18.521 19.000 0.037 0.000 1.002 161 A HN 0.642 nan 8.150 nan 0.000 0.502 162 I N 1.251 121.863 120.570 0.069 0.000 2.353 162 I HA 0.148 4.116 4.170 -0.338 0.000 0.293 162 I C -0.044 176.106 176.117 0.054 0.000 0.992 162 I CA -0.238 61.111 61.300 0.081 0.000 1.268 162 I CB 1.453 39.537 38.000 0.140 0.000 1.387 162 I HN 0.671 nan 8.210 nan 0.000 0.478 163 D N 3.689 124.111 120.400 0.036 0.000 2.325 163 D HA 0.081 4.518 4.640 -0.338 0.000 0.251 163 D C 1.103 177.404 176.300 0.002 0.000 1.196 163 D CA -0.016 53.998 54.000 0.023 0.000 0.866 163 D CB 1.111 41.923 40.800 0.020 0.000 1.101 163 D HN 0.539 nan 8.370 nan 0.000 0.476 164 S N 1.991 117.705 115.700 0.024 0.000 2.414 164 S HA -0.014 4.253 4.470 -0.338 0.000 0.227 164 S C 2.070 176.665 174.600 -0.008 0.000 1.022 164 S CA 0.561 58.779 58.200 0.029 0.000 0.958 164 S CB -0.277 62.986 63.200 0.105 0.000 0.797 164 S HN 0.468 nan 8.310 nan 0.000 0.493 165 G N 0.895 109.671 108.800 -0.039 0.000 2.443 165 G HA2 -0.070 3.687 3.960 -0.338 0.000 0.219 165 G HA3 -0.070 3.687 3.960 -0.338 0.000 0.219 165 G C 1.436 176.187 174.900 -0.248 0.000 1.131 165 G CA 0.787 45.783 45.100 -0.173 0.000 0.775 165 G HN 0.509 nan 8.290 nan 0.000 0.547 166 V N -0.161 119.665 119.914 -0.148 0.000 2.725 166 V HA 0.157 4.074 4.120 -0.338 0.000 0.247 166 V C 2.517 178.517 176.094 -0.157 0.000 1.058 166 V CA 1.047 63.279 62.300 -0.114 0.000 1.080 166 V CB 0.093 31.972 31.823 0.094 0.000 0.713 166 V HN 0.244 nan 8.190 nan 0.000 0.465 167 L N -0.001 121.118 121.223 -0.174 0.000 2.083 167 L HA -0.074 4.063 4.340 -0.338 0.000 0.209 167 L C 2.226 178.930 176.870 -0.276 0.000 1.083 167 L CA 2.314 57.000 54.840 -0.257 0.000 0.752 167 L CB -0.672 41.200 42.059 -0.312 0.000 0.899 167 L HN 0.446 nan 8.230 nan 0.000 0.433 168 L N -0.800 120.258 121.223 -0.275 0.000 2.127 168 L HA -0.211 3.927 4.340 -0.338 0.000 0.211 168 L C 2.298 178.927 176.870 -0.401 0.000 1.089 168 L CA 1.699 56.332 54.840 -0.345 0.000 0.757 168 L CB -0.509 41.298 42.059 -0.419 0.000 0.899 168 L HN 0.286 nan 8.230 nan 0.000 0.434 169 E N -0.537 119.397 120.200 -0.443 0.000 2.072 169 E HA -0.099 4.048 4.350 -0.338 0.000 0.190 169 E C 2.315 178.757 176.600 -0.263 0.000 0.982 169 E CA 0.926 57.029 56.400 -0.495 0.000 0.803 169 E CB -0.073 29.023 29.700 -1.006 0.000 0.755 169 E HN 0.340 nan 8.360 nan 0.000 0.453 170 R N 0.061 120.454 120.500 -0.179 0.000 2.120 170 R HA -0.113 4.025 4.340 -0.338 0.000 0.234 170 R C 2.531 178.751 176.300 -0.135 0.000 1.123 170 R CA 1.021 57.056 56.100 -0.108 0.000 0.975 170 R CB -0.584 29.657 30.300 -0.098 0.000 0.866 170 R HN 0.282 nan 8.270 nan 0.000 0.446 171 L N 0.805 121.918 121.223 -0.183 0.000 2.017 171 L HA -0.173 3.964 4.340 -0.338 0.000 0.208 171 L C 2.091 178.878 176.870 -0.138 0.000 1.073 171 L CA 1.433 56.172 54.840 -0.168 0.000 0.745 171 L CB -0.182 41.751 42.059 -0.210 0.000 0.894 171 L HN 0.011 nan 8.230 nan 0.000 0.432 172 I N 0.297 120.773 120.570 -0.156 0.000 2.361 172 I HA -0.257 3.710 4.170 -0.338 0.000 0.251 172 I C 2.649 178.722 176.117 -0.074 0.000 1.133 172 I CA 1.326 62.566 61.300 -0.100 0.000 1.413 172 I CB -0.613 37.327 38.000 -0.101 0.000 1.073 172 I HN 0.346 nan 8.210 nan 0.000 0.424 173 A N -0.139 122.632 122.820 -0.081 0.000 1.873 173 A HA -0.213 3.905 4.320 -0.338 0.000 0.215 173 A C 2.239 179.794 177.584 -0.049 0.000 1.186 173 A CA 1.375 53.382 52.037 -0.050 0.000 0.616 173 A CB -0.541 18.439 19.000 -0.033 0.000 0.823 173 A HN 0.497 nan 8.150 nan 0.000 0.442 174 Q N -0.358 119.406 119.800 -0.061 0.000 2.378 174 Q HA 0.041 4.178 4.340 -0.338 0.000 0.205 174 Q C -0.280 175.683 176.000 -0.061 0.000 0.954 174 Q CA 0.636 56.403 55.803 -0.060 0.000 0.901 174 Q CB 0.109 28.807 28.738 -0.066 0.000 0.981 174 Q HN 0.546 nan 8.270 nan 0.000 0.483 175 N N 0.483 119.145 118.700 -0.063 0.000 2.723 175 N HA 0.123 4.661 4.740 -0.338 0.000 0.290 175 N C -2.290 173.188 175.510 -0.053 0.000 1.882 175 N CA -0.848 52.167 53.050 -0.058 0.000 0.851 175 N CB 1.217 39.669 38.487 -0.058 0.000 1.234 175 N HN 0.059 nan 8.380 nan 0.000 0.491 176 P HA -0.128 nan 4.420 nan 0.000 0.216 176 P C 1.453 178.722 177.300 -0.052 0.000 1.150 176 P CA 1.245 64.322 63.100 -0.038 0.000 0.837 176 P CB 0.353 32.033 31.700 -0.033 0.000 0.786 177 V N -3.155 116.716 119.914 -0.072 0.000 3.647 177 V HA 0.157 4.074 4.120 -0.338 0.000 0.279 177 V C 0.962 176.951 176.094 -0.175 0.000 1.314 177 V CA 0.225 62.462 62.300 -0.105 0.000 1.125 177 V CB -0.880 30.890 31.823 -0.088 0.000 0.907 177 V HN 0.071 nan 8.190 nan 0.000 0.434 178 S N -0.270 115.347 115.700 -0.139 0.000 2.655 178 S HA 0.512 4.779 4.470 -0.338 0.000 0.265 178 S C -0.447 174.021 174.600 -0.220 0.000 1.240 178 S CA -0.440 57.667 58.200 -0.155 0.000 0.986 178 S CB 0.134 63.328 63.200 -0.011 0.000 0.985 178 S HN 0.354 nan 8.310 nan 0.000 0.562 179 Y N 1.526 121.838 120.300 0.019 0.000 2.620 179 Y HA 0.272 4.617 4.550 -0.342 0.000 0.352 179 Y C 0.452 176.339 175.900 -0.022 0.000 1.140 179 Y CA -0.592 57.468 58.100 -0.066 0.000 1.529 179 Y CB -0.633 37.829 38.460 0.003 0.000 1.321 179 Y HN 0.488 nan 8.280 nan 0.000 0.501 180 N N 4.835 123.534 118.700 -0.002 0.000 2.455 180 N HA 0.389 4.926 4.740 -0.338 0.000 0.280 180 N C -0.761 174.814 175.510 0.108 0.000 1.055 180 N CA -0.372 52.691 53.050 0.022 0.000 0.961 180 N CB 1.237 39.757 38.487 0.054 0.000 1.121 180 N HN 0.494 nan 8.380 nan 0.000 0.476 181 F N -1.198 118.796 119.950 0.074 0.000 2.643 181 F HA 0.555 4.908 4.527 -0.291 0.000 0.314 181 F C -0.594 175.301 175.800 0.158 0.000 1.096 181 F CA -0.980 57.095 58.000 0.124 0.000 0.953 181 F CB 1.950 41.053 39.000 0.171 0.000 1.345 181 F HN 0.337 nan 8.300 nan 0.000 0.468 182 H N 1.713 120.910 119.070 0.212 0.000 3.287 182 H HA 0.449 4.781 4.556 -0.373 0.000 0.329 182 H C -2.197 173.228 175.328 0.162 0.000 1.130 182 H CA -0.480 55.616 56.048 0.080 0.000 1.593 182 H CB 1.683 31.381 29.762 -0.106 0.000 1.916 182 H HN 0.935 nan 8.280 nan 0.000 0.503 183 V N 6.931 126.979 119.914 0.225 0.000 2.378 183 V HA 0.530 4.447 4.120 -0.338 0.000 0.288 183 V C -2.657 173.592 176.094 0.260 0.000 1.016 183 V CA -2.042 60.515 62.300 0.427 0.000 0.840 183 V CB 1.783 33.969 31.823 0.605 0.000 0.994 183 V HN 0.527 nan 8.190 nan 0.000 0.431 184 P HA 0.198 nan 4.420 nan 0.000 0.268 184 P C -0.774 176.640 177.300 0.190 0.000 1.204 184 P CA 0.223 63.460 63.100 0.228 0.000 0.768 184 P CB 0.723 32.583 31.700 0.265 0.000 0.842 185 L N 2.211 123.494 121.223 0.100 0.000 2.317 185 L HA 0.561 4.698 4.340 -0.338 0.000 0.281 185 L C 0.777 177.667 176.870 0.033 0.000 1.024 185 L CA -1.198 53.688 54.840 0.076 0.000 0.810 185 L CB 1.609 43.698 42.059 0.050 0.000 1.240 185 L HN 0.330 nan 8.230 nan 0.000 0.427 186 A N 1.735 124.569 122.820 0.024 0.000 2.454 186 A HA 0.387 4.505 4.320 -0.338 0.000 0.260 186 A C 0.009 177.594 177.584 0.002 0.000 1.106 186 A CA 0.069 52.104 52.037 -0.003 0.000 0.780 186 A CB -0.022 18.976 19.000 -0.003 0.000 1.044 186 A HN 0.914 nan 8.150 nan 0.000 0.498 187 D N 0.244 120.644 120.400 -0.001 0.000 3.087 187 D HA -0.075 4.363 4.640 -0.338 0.000 0.208 187 D C 0.438 176.742 176.300 0.008 0.000 1.030 187 D CA 2.128 56.130 54.000 0.002 0.000 0.976 187 D CB -1.656 39.145 40.800 0.002 0.000 1.063 187 D HN 2.155 nan 8.370 nan 0.000 0.443 188 G N -0.739 108.068 108.800 0.011 0.000 2.722 188 G HA2 0.436 4.193 3.960 -0.338 0.000 0.686 188 G HA3 0.436 4.193 3.960 -0.338 0.000 0.686 188 G C 0.445 175.358 174.900 0.022 0.000 1.282 188 G CA 0.480 45.590 45.100 0.017 0.000 0.817 188 G HN 1.486 nan 8.290 nan 0.000 0.605 189 G N -1.499 107.317 108.800 0.027 0.000 2.661 189 G HA2 0.418 4.176 3.960 -0.338 0.000 0.685 189 G HA3 0.418 4.176 3.960 -0.338 0.000 0.685 189 G C -0.532 174.377 174.900 0.015 0.000 1.298 189 G CA 0.105 45.220 45.100 0.025 0.000 0.855 189 G HN 2.076 nan 8.290 nan 0.000 0.560 190 V N 0.499 120.408 119.914 -0.007 0.000 2.709 190 V HA 0.658 4.576 4.120 -0.338 0.000 0.308 190 V C -0.035 176.044 176.094 -0.024 0.000 1.062 190 V CA -0.716 61.539 62.300 -0.074 0.000 0.901 190 V CB 1.668 33.345 31.823 -0.244 0.000 1.003 190 V HN 1.163 nan 8.190 nan 0.000 0.425 191 L N 5.664 126.904 121.223 0.029 0.000 2.276 191 L HA 0.733 4.870 4.340 -0.338 0.000 0.286 191 L C -0.858 176.101 176.870 0.148 0.000 1.061 191 L CA 0.168 55.097 54.840 0.148 0.000 0.807 191 L CB 1.114 43.314 42.059 0.235 0.000 1.177 191 L HN 0.640 nan 8.230 nan 0.000 0.429 192 L N 4.971 126.238 121.223 0.073 0.000 2.388 192 L HA 1.046 5.184 4.340 -0.338 0.000 0.264 192 L C -0.362 176.240 176.870 -0.446 0.000 0.998 192 L CA 0.327 55.050 54.840 -0.194 0.000 0.817 192 L CB 2.074 44.051 42.059 -0.138 0.000 1.338 192 L HN 0.739 nan 8.230 nan 0.000 0.414 193 G N 2.266 110.462 108.800 -1.005 0.000 2.338 193 G HA2 0.615 4.373 3.960 -0.338 0.000 0.295 193 G HA3 0.615 4.373 3.960 -0.338 0.000 0.295 193 G C -2.092 172.384 174.900 -0.706 0.000 1.461 193 G CA -0.128 44.478 45.100 -0.823 0.000 0.817 193 G HN 0.961 nan 8.290 nan 0.000 0.556 194 A N 0.286 122.977 122.820 -0.215 0.000 2.842 194 A HA 0.742 4.859 4.320 -0.338 0.000 0.339 194 A C 0.129 177.795 177.584 0.136 0.000 1.177 194 A CA 0.190 52.205 52.037 -0.038 0.000 0.797 194 A CB 0.664 19.634 19.000 -0.050 0.000 1.094 194 A HN 1.585 nan 8.150 nan 0.000 0.474 195 S N 2.737 118.623 115.700 0.310 0.000 2.499 195 S HA 0.548 4.815 4.470 -0.338 0.000 0.279 195 S C -1.511 173.318 174.600 0.382 0.000 1.219 195 S CA -1.369 57.058 58.200 0.378 0.000 1.062 195 S CB 0.902 64.399 63.200 0.496 0.000 0.978 195 S HN 0.489 nan 8.310 nan 0.000 0.489 196 P HA 0.156 nan 4.420 nan 0.000 0.255 196 P C -0.220 177.290 177.300 0.350 0.000 1.248 196 P CA 0.212 63.498 63.100 0.309 0.000 0.807 196 P CB 0.087 31.935 31.700 0.247 0.000 1.150 197 E N 0.732 121.099 120.200 0.277 0.000 2.092 197 E HA 0.331 4.478 4.350 -0.338 0.000 0.271 197 E C -1.003 175.630 176.600 0.055 0.000 0.919 197 E CA -1.048 55.455 56.400 0.172 0.000 0.760 197 E CB 0.447 30.222 29.700 0.125 0.000 1.106 197 E HN -0.121 nan 8.360 nan 0.000 0.408 198 L N 6.211 127.442 121.223 0.014 0.000 2.290 198 L HA 0.120 4.258 4.340 -0.338 0.000 0.284 198 L C 0.039 176.889 176.870 -0.033 0.000 1.078 198 L CA 0.078 54.824 54.840 -0.155 0.000 0.815 198 L CB 1.028 43.029 42.059 -0.097 0.000 1.162 198 L HN 0.740 nan 8.230 nan 0.000 0.435 199 L N 5.152 126.355 121.223 -0.034 0.000 2.200 199 L HA 0.327 4.464 4.340 -0.338 0.000 0.200 199 L C -0.356 176.517 176.870 0.005 0.000 1.072 199 L CA 0.756 55.599 54.840 0.004 0.000 0.787 199 L CB 0.297 42.367 42.059 0.018 0.000 0.957 199 L HN 0.677 nan 8.230 nan 0.000 0.459 200 L N 0.492 121.734 121.223 0.032 0.000 2.639 200 L HA 0.358 4.496 4.340 -0.338 0.000 0.264 200 L C -0.611 176.285 176.870 0.042 0.000 0.948 200 L CA -0.231 54.642 54.840 0.055 0.000 0.912 200 L CB 1.397 43.473 42.059 0.028 0.000 1.294 200 L HN 0.111 nan 8.230 nan 0.000 0.412 201 R N 4.210 124.725 120.500 0.025 0.000 2.393 201 R HA 0.637 4.774 4.340 -0.338 0.000 0.310 201 R C -1.222 175.059 176.300 -0.032 0.000 0.968 201 R CA -0.672 55.383 56.100 -0.075 0.000 0.867 201 R CB 1.358 31.563 30.300 -0.157 0.000 1.124 201 R HN 0.613 nan 8.270 nan 0.000 0.450 202 K N 2.682 123.037 120.400 -0.075 0.000 2.324 202 K HA 0.253 4.370 4.320 -0.338 0.000 0.253 202 K C -1.782 174.807 176.600 -0.019 0.000 0.932 202 K CA -0.747 55.542 56.287 0.004 0.000 0.799 202 K CB 1.558 34.084 32.500 0.043 0.000 1.154 202 K HN 0.519 nan 8.250 nan 0.000 0.425 203 D N 2.832 123.237 120.400 0.008 0.000 2.736 203 D HA 0.350 4.788 4.640 -0.338 0.000 0.243 203 D C 0.403 176.741 176.300 0.063 0.000 1.304 203 D CA 0.814 54.851 54.000 0.061 0.000 0.934 203 D CB 1.454 42.260 40.800 0.011 0.000 1.382 203 D HN 0.781 nan 8.370 nan 0.000 0.571 204 G N 4.222 113.067 108.800 0.074 0.000 2.627 204 G HA2 -0.363 3.395 3.960 -0.338 0.000 0.312 204 G HA3 -0.363 3.395 3.960 -0.338 0.000 0.312 204 G C 0.916 175.852 174.900 0.061 0.000 1.299 204 G CA 0.928 46.062 45.100 0.056 0.000 0.989 204 G HN 0.666 nan 8.290 nan 0.000 0.547 205 E N 0.364 120.598 120.200 0.056 0.000 2.482 205 E HA 0.105 4.252 4.350 -0.338 0.000 0.196 205 E C 1.282 177.946 176.600 0.105 0.000 1.047 205 E CA 0.396 56.841 56.400 0.075 0.000 0.869 205 E CB 0.080 29.813 29.700 0.055 0.000 0.836 205 E HN 0.495 nan 8.360 nan 0.000 0.520 206 R N 1.032 121.572 120.500 0.067 0.000 2.349 206 R HA 0.376 4.514 4.340 -0.338 0.000 0.299 206 R C -0.707 175.643 176.300 0.084 0.000 1.027 206 R CA -0.512 55.598 56.100 0.017 0.000 0.958 206 R CB 0.749 31.024 30.300 -0.043 0.000 1.047 206 R HN 0.108 nan 8.270 nan 0.000 0.468 207 F N -0.822 119.121 119.950 -0.011 0.000 2.620 207 F HA 0.745 5.069 4.527 -0.339 0.000 0.320 207 F C -0.607 175.195 175.800 0.003 0.000 1.069 207 F CA -0.965 57.022 58.000 -0.023 0.000 0.953 207 F CB 1.668 40.661 39.000 -0.013 0.000 1.322 207 F HN 0.477 nan 8.300 nan 0.000 0.479 208 S N 0.497 116.296 115.700 0.165 0.000 2.638 208 S HA 0.808 5.076 4.470 -0.338 0.000 0.274 208 S C -1.264 173.466 174.600 0.217 0.000 1.157 208 S CA -0.660 57.621 58.200 0.135 0.000 0.826 208 S CB 1.385 64.606 63.200 0.035 0.000 1.139 208 S HN 1.195 nan 8.310 nan 0.000 0.474 209 S N 0.035 115.853 115.700 0.196 0.000 2.566 209 S HA 0.635 4.903 4.470 -0.338 0.000 0.273 209 S C -1.638 173.042 174.600 0.133 0.000 1.157 209 S CA -0.814 57.447 58.200 0.101 0.000 0.938 209 S CB 0.579 63.768 63.200 -0.020 0.000 1.087 209 S HN 0.721 nan 8.310 nan 0.000 0.474 210 I N 5.598 126.235 120.570 0.112 0.000 2.668 210 I HA 0.325 4.292 4.170 -0.338 0.000 0.276 210 I C -2.336 173.864 176.117 0.139 0.000 1.139 210 I CA -2.039 59.363 61.300 0.170 0.000 1.133 210 I CB 1.631 39.747 38.000 0.193 0.000 1.327 210 I HN 0.389 nan 8.210 nan 0.000 0.520 211 P HA 0.114 nan 4.420 nan 0.000 0.268 211 P C -0.877 176.523 177.300 0.167 0.000 1.204 211 P CA -0.111 63.027 63.100 0.063 0.000 0.768 211 P CB 1.272 32.940 31.700 -0.054 0.000 0.842 212 L N 3.010 124.306 121.223 0.122 0.000 2.334 212 L HA 0.802 4.940 4.340 -0.338 0.000 0.276 212 L C 0.233 177.174 176.870 0.118 0.000 1.014 212 L CA -0.627 54.300 54.840 0.145 0.000 0.815 212 L CB 1.214 43.260 42.059 -0.021 0.000 1.268 212 L HN 0.586 nan 8.230 nan 0.000 0.428 213 A N 1.649 124.627 122.820 0.262 0.000 2.565 213 A HA 0.746 4.864 4.320 -0.338 0.000 0.298 213 A C -0.405 177.346 177.584 0.278 0.000 1.062 213 A CA -0.011 52.142 52.037 0.193 0.000 0.723 213 A CB 1.258 20.326 19.000 0.114 0.000 1.282 213 A HN 1.477 nan 8.150 nan 0.000 0.400 214 G N 0.631 109.557 108.800 0.209 0.000 3.233 214 G HA2 0.514 4.272 3.960 -0.338 0.000 0.686 214 G HA3 0.514 4.272 3.960 -0.338 0.000 0.686 214 G C -0.672 174.395 174.900 0.278 0.000 1.153 214 G CA -0.140 45.082 45.100 0.203 0.000 0.853 214 G HN 1.731 nan 8.290 nan 0.000 0.582 215 S N -0.174 115.668 115.700 0.237 0.000 2.564 215 S HA 1.023 5.291 4.470 -0.338 0.000 0.274 215 S C 0.103 174.791 174.600 0.146 0.000 1.124 215 S CA -0.018 58.333 58.200 0.252 0.000 0.869 215 S CB 2.070 65.441 63.200 0.284 0.000 1.105 215 S HN 2.272 nan 8.310 nan 0.000 0.472 216 A N 1.613 124.513 122.820 0.133 0.000 2.572 216 A HA 0.752 4.870 4.320 -0.338 0.000 0.295 216 A C -0.827 176.855 177.584 0.162 0.000 1.072 216 A CA -0.785 51.329 52.037 0.129 0.000 0.691 216 A CB 1.236 20.296 19.000 0.099 0.000 1.291 216 A HN 0.720 nan 8.150 nan 0.000 0.404 217 R N 1.217 121.792 120.500 0.124 0.000 2.489 217 R HA 0.197 4.335 4.340 -0.338 0.000 0.287 217 R C 0.020 176.426 176.300 0.177 0.000 1.053 217 R CA -0.402 55.754 56.100 0.093 0.000 1.036 217 R CB 0.403 30.739 30.300 0.060 0.000 0.966 217 R HN 0.706 nan 8.270 nan 0.000 0.432 218 R N 2.377 122.915 120.500 0.064 0.000 2.784 218 R HA 0.027 4.165 4.340 -0.338 0.000 0.266 218 R C -0.044 176.304 176.300 0.081 0.000 1.044 218 R CA 0.140 56.263 56.100 0.038 0.000 1.151 218 R CB 0.370 30.562 30.300 -0.179 0.000 1.037 218 R HN 0.547 nan 8.270 nan 0.000 0.478 219 Q N 1.705 121.575 119.800 0.117 0.000 2.377 219 Q HA 0.288 4.426 4.340 -0.338 0.000 0.271 219 Q C -1.594 174.436 176.000 0.050 0.000 1.077 219 Q CA -1.889 53.963 55.803 0.082 0.000 0.820 219 Q CB 1.898 30.698 28.738 0.104 0.000 1.347 219 Q HN 0.294 nan 8.270 nan 0.000 0.444 220 P HA -0.127 nan 4.420 nan 0.000 0.216 220 P C 0.158 177.473 177.300 0.026 0.000 1.153 220 P CA 0.788 63.898 63.100 0.017 0.000 0.844 220 P CB 0.259 31.966 31.700 0.013 0.000 0.787 221 D N 0.593 121.014 120.400 0.034 0.000 2.434 221 D HA -0.071 4.366 4.640 -0.338 0.000 0.252 221 D C 1.062 177.393 176.300 0.051 0.000 1.185 221 D CA 0.235 54.257 54.000 0.036 0.000 0.886 221 D CB 0.988 41.808 40.800 0.033 0.000 1.148 221 D HN 0.057 nan 8.370 nan 0.000 0.483 222 E N 2.295 122.523 120.200 0.046 0.000 2.110 222 E HA -0.148 3.999 4.350 -0.338 0.000 0.193 222 E C 1.882 178.522 176.600 0.068 0.000 0.988 222 E CA 0.834 57.269 56.400 0.059 0.000 0.804 222 E CB 0.309 30.035 29.700 0.044 0.000 0.745 222 E HN 0.400 nan 8.360 nan 0.000 0.458 223 V N 0.742 120.684 119.914 0.048 0.000 2.270 223 V HA -0.247 3.671 4.120 -0.338 0.000 0.245 223 V C 2.309 178.426 176.094 0.039 0.000 1.043 223 V CA 1.494 63.817 62.300 0.038 0.000 1.014 223 V CB -0.396 31.441 31.823 0.023 0.000 0.645 223 V HN 0.344 nan 8.190 nan 0.000 0.447 224 L N 0.021 121.269 121.223 0.042 0.000 2.079 224 L HA -0.218 3.919 4.340 -0.338 0.000 0.210 224 L C 2.383 179.297 176.870 0.072 0.000 1.081 224 L CA 1.941 56.807 54.840 0.042 0.000 0.752 224 L CB -0.738 41.346 42.059 0.042 0.000 0.896 224 L HN 0.407 nan 8.230 nan 0.000 0.433 225 D N 0.239 120.716 120.400 0.129 0.000 2.097 225 D HA -0.229 4.209 4.640 -0.338 0.000 0.195 225 D C 2.255 178.719 176.300 0.272 0.000 0.989 225 D CA 1.070 55.233 54.000 0.270 0.000 0.827 225 D CB 0.048 41.008 40.800 0.266 0.000 0.966 225 D HN -0.053 nan 8.370 nan 0.000 0.456 226 R N 1.099 121.695 120.500 0.160 0.000 2.096 226 R HA -0.056 4.081 4.340 -0.338 0.000 0.235 226 R C 1.945 178.161 176.300 -0.139 0.000 1.127 226 R CA 1.585 57.703 56.100 0.030 0.000 0.968 226 R CB -0.653 29.677 30.300 0.050 0.000 0.861 226 R HN 0.277 nan 8.270 nan 0.000 0.440 227 E N -0.601 119.551 120.200 -0.080 0.000 2.106 227 E HA -0.060 4.087 4.350 -0.338 0.000 0.192 227 E C 1.838 178.331 176.600 -0.179 0.000 0.984 227 E CA 1.203 57.537 56.400 -0.110 0.000 0.806 227 E CB -0.136 29.534 29.700 -0.050 0.000 0.750 227 E HN 0.464 nan 8.360 nan 0.000 0.458 228 A N 0.892 123.606 122.820 -0.176 0.000 1.877 228 A HA -0.115 4.003 4.320 -0.338 0.000 0.216 228 A C 2.398 179.628 177.584 -0.589 0.000 1.186 228 A CA 1.726 53.626 52.037 -0.229 0.000 0.620 228 A CB -1.284 17.700 19.000 -0.027 0.000 0.822 228 A HN 0.383 nan 8.150 nan 0.000 0.443 229 G N 0.168 108.245 108.800 -1.204 0.000 2.491 229 G HA2 -0.339 3.419 3.960 -0.338 0.000 0.218 229 G HA3 -0.339 3.419 3.960 -0.338 0.000 0.218 229 G C 1.434 175.883 174.900 -0.750 0.000 1.180 229 G CA 1.244 45.308 45.100 -1.728 0.000 0.774 229 G HN 0.531 nan 8.290 nan 0.000 0.562 230 N N 0.168 118.569 118.700 -0.497 0.000 2.188 230 N HA -0.052 4.485 4.740 -0.338 0.000 0.184 230 N C 2.171 177.561 175.510 -0.201 0.000 1.018 230 N CA 0.732 53.616 53.050 -0.277 0.000 0.858 230 N CB -0.341 38.030 38.487 -0.193 0.000 0.989 230 N HN 0.337 nan 8.380 nan 0.000 0.426 231 R N 0.336 120.716 120.500 -0.199 0.000 2.152 231 R HA -0.034 4.103 4.340 -0.338 0.000 0.232 231 R C 1.964 178.197 176.300 -0.111 0.000 1.117 231 R CA 0.622 56.645 56.100 -0.128 0.000 0.981 231 R CB -0.174 30.062 30.300 -0.107 0.000 0.870 231 R HN 0.111 nan 8.270 nan 0.000 0.451 232 L N 0.518 121.648 121.223 -0.156 0.000 2.072 232 L HA -0.047 4.090 4.340 -0.338 0.000 0.205 232 L C 1.747 178.572 176.870 -0.075 0.000 1.079 232 L CA 1.528 56.311 54.840 -0.094 0.000 0.752 232 L CB -0.300 41.702 42.059 -0.095 0.000 0.906 232 L HN 0.196 nan 8.230 nan 0.000 0.436 233 L N -0.264 120.893 121.223 -0.109 0.000 2.129 233 L HA -0.196 3.941 4.340 -0.338 0.000 0.212 233 L C 2.257 179.096 176.870 -0.052 0.000 1.087 233 L CA 1.232 56.023 54.840 -0.080 0.000 0.757 233 L CB -0.667 41.337 42.059 -0.092 0.000 0.896 233 L HN 0.430 nan 8.230 nan 0.000 0.434 234 A N -1.765 121.024 122.820 -0.053 0.000 2.308 234 A HA 0.047 4.165 4.320 -0.338 0.000 0.217 234 A C 1.244 178.819 177.584 -0.015 0.000 1.216 234 A CA -0.006 52.012 52.037 -0.032 0.000 0.864 234 A CB -0.011 18.966 19.000 -0.038 0.000 0.902 234 A HN 0.194 nan 8.150 nan 0.000 0.499 235 S N 0.576 116.270 115.700 -0.010 0.000 2.429 235 S HA 0.082 4.349 4.470 -0.338 0.000 0.292 235 S C 1.080 175.700 174.600 0.034 0.000 1.183 235 S CA 0.009 58.216 58.200 0.011 0.000 1.088 235 S CB 0.143 63.354 63.200 0.018 0.000 1.018 235 S HN 0.591 nan 8.310 nan 0.000 0.511 236 E N 4.318 124.537 120.200 0.031 0.000 2.065 236 E HA -0.259 3.888 4.350 -0.338 0.000 0.201 236 E C 1.975 178.624 176.600 0.082 0.000 1.016 236 E CA 1.455 57.881 56.400 0.043 0.000 0.818 236 E CB -0.131 29.579 29.700 0.017 0.000 0.749 236 E HN 0.654 nan 8.360 nan 0.000 0.453 237 K N 0.660 121.105 120.400 0.075 0.000 2.009 237 K HA -0.213 3.904 4.320 -0.338 0.000 0.210 237 K C 1.611 178.297 176.600 0.143 0.000 1.049 237 K CA 2.137 58.490 56.287 0.110 0.000 0.929 237 K CB -0.337 32.212 32.500 0.082 0.000 0.714 237 K HN 0.283 nan 8.250 nan 0.000 0.440 238 D N 0.019 120.485 120.400 0.110 0.000 2.183 238 D HA -0.097 4.341 4.640 -0.338 0.000 0.203 238 D C 2.054 178.433 176.300 0.132 0.000 0.969 238 D CA 0.461 54.531 54.000 0.117 0.000 0.842 238 D CB 0.120 40.976 40.800 0.093 0.000 0.957 238 D HN 0.155 nan 8.370 nan 0.000 0.484 239 R N 0.446 121.016 120.500 0.116 0.000 2.075 239 R HA -0.109 4.029 4.340 -0.338 0.000 0.232 239 R C 2.163 178.567 176.300 0.173 0.000 1.126 239 R CA 0.837 57.013 56.100 0.126 0.000 0.963 239 R CB -1.073 29.278 30.300 0.084 0.000 0.858 239 R HN 0.379 nan 8.270 nan 0.000 0.435 240 H N 1.346 120.459 119.070 0.072 0.000 2.293 240 H HA -0.114 4.240 4.556 -0.337 0.000 0.300 240 H C 2.007 177.377 175.328 0.070 0.000 1.082 240 H CA 2.225 58.310 56.048 0.060 0.000 1.308 240 H CB -0.120 29.670 29.762 0.047 0.000 1.375 240 H HN 0.346 nan 8.280 nan 0.000 0.495 241 E N -1.214 118.998 120.200 0.021 0.000 2.130 241 E HA -0.342 3.805 4.350 -0.338 0.000 0.196 241 E C 1.989 178.592 176.600 0.005 0.000 0.998 241 E CA 1.642 58.035 56.400 -0.013 0.000 0.806 241 E CB -0.263 29.489 29.700 0.087 0.000 0.738 241 E HN 0.732 nan 8.360 nan 0.000 0.459 242 H N -0.235 118.828 119.070 -0.011 0.000 2.372 242 H HA -0.019 4.334 4.556 -0.339 0.000 0.301 242 H C 1.983 177.300 175.328 -0.019 0.000 1.065 242 H CA 1.715 57.768 56.048 0.008 0.000 1.364 242 H CB 0.101 29.889 29.762 0.044 0.000 1.406 242 H HN 0.121 nan 8.280 nan 0.000 0.521 243 E N 0.480 120.693 120.200 0.023 0.000 2.085 243 E HA -0.140 4.007 4.350 -0.338 0.000 0.194 243 E C 2.158 178.657 176.600 -0.169 0.000 0.994 243 E CA 1.241 57.615 56.400 -0.043 0.000 0.801 243 E CB -0.382 29.322 29.700 0.006 0.000 0.743 243 E HN 0.559 nan 8.360 nan 0.000 0.453 244 L N -0.683 120.398 121.223 -0.237 0.000 2.127 244 L HA -0.191 3.947 4.340 -0.338 0.000 0.211 244 L C 2.235 178.928 176.870 -0.295 0.000 1.089 244 L CA 0.737 55.394 54.840 -0.305 0.000 0.757 244 L CB -0.257 41.641 42.059 -0.267 0.000 0.899 244 L HN 0.114 nan 8.230 nan 0.000 0.434 245 V N -0.847 118.928 119.914 -0.232 0.000 2.302 245 V HA -0.221 3.696 4.120 -0.338 0.000 0.243 245 V C 2.661 178.645 176.094 -0.183 0.000 1.036 245 V CA 2.171 64.347 62.300 -0.206 0.000 1.020 245 V CB -0.923 30.765 31.823 -0.226 0.000 0.657 245 V HN 0.649 nan 8.190 nan 0.000 0.453 246 T N -2.458 112.000 114.554 -0.160 0.000 2.904 246 T HA -0.212 3.935 4.350 -0.338 0.000 0.267 246 T C 1.846 176.606 174.700 0.099 0.000 1.059 246 T CA 1.285 63.436 62.100 0.084 0.000 1.137 246 T CB -0.255 68.683 68.868 0.117 0.000 0.879 246 T HN 0.281 nan 8.240 nan 0.000 0.467 247 Q N 1.572 121.331 119.800 -0.070 0.000 2.084 247 Q HA 0.233 4.370 4.340 -0.338 0.000 0.202 247 Q C 2.545 178.457 176.000 -0.146 0.000 0.978 247 Q CA 1.864 57.600 55.803 -0.111 0.000 0.844 247 Q CB -1.059 27.559 28.738 -0.201 0.000 0.898 247 Q HN 0.715 nan 8.270 nan 0.000 0.426 248 A N -0.210 122.454 122.820 -0.261 0.000 1.877 248 A HA -0.191 3.927 4.320 -0.338 0.000 0.216 248 A C 2.098 179.656 177.584 -0.043 0.000 1.186 248 A CA 1.746 53.664 52.037 -0.198 0.000 0.620 248 A CB -0.544 18.338 19.000 -0.196 0.000 0.822 248 A HN 0.425 nan 8.150 nan 0.000 0.443 249 M N -0.576 118.993 119.600 -0.051 0.000 2.117 249 M HA -0.185 4.093 4.480 -0.338 0.000 0.262 249 M C 2.125 178.494 176.300 0.114 0.000 1.065 249 M CA 1.712 56.976 55.300 -0.060 0.000 1.114 249 M CB -0.385 32.027 32.600 -0.313 0.000 1.361 249 M HN 0.332 nan 8.290 nan 0.000 0.408 250 K N 0.009 120.555 120.400 0.245 0.000 2.032 250 K HA -0.229 3.888 4.320 -0.338 0.000 0.209 250 K C 1.951 178.619 176.600 0.113 0.000 1.048 250 K CA 1.667 58.090 56.287 0.227 0.000 0.927 250 K CB -0.262 32.310 32.500 0.120 0.000 0.712 250 K HN 0.170 nan 8.250 nan 0.000 0.441 251 E N 1.122 121.361 120.200 0.065 0.000 2.077 251 E HA -0.143 4.005 4.350 -0.338 0.000 0.193 251 E C 1.784 178.412 176.600 0.047 0.000 0.989 251 E CA 1.045 57.476 56.400 0.052 0.000 0.800 251 E CB -0.160 29.573 29.700 0.054 0.000 0.746 251 E HN -0.003 nan 8.360 nan 0.000 0.452 252 V N 0.088 120.023 119.914 0.035 0.000 2.548 252 V HA -0.135 3.782 4.120 -0.338 0.000 0.249 252 V C 1.820 177.915 176.094 0.002 0.000 1.055 252 V CA 1.042 63.344 62.300 0.004 0.000 1.065 252 V CB -0.232 31.572 31.823 -0.033 0.000 0.681 252 V HN 0.297 nan 8.190 nan 0.000 0.462 253 L N -0.377 120.871 121.223 0.041 0.000 2.492 253 L HA 0.100 4.238 4.340 -0.338 0.000 0.223 253 L C 2.218 179.137 176.870 0.081 0.000 1.132 253 L CA 1.197 56.079 54.840 0.070 0.000 0.850 253 L CB -1.258 40.909 42.059 0.180 0.000 0.966 253 L HN 0.282 nan 8.230 nan 0.000 0.454 254 R N 0.728 121.267 120.500 0.065 0.000 2.103 254 R HA -0.173 3.964 4.340 -0.338 0.000 0.234 254 R C 0.952 177.281 176.300 0.049 0.000 1.132 254 R CA 1.855 57.990 56.100 0.059 0.000 0.925 254 R CB -0.021 30.306 30.300 0.044 0.000 0.842 254 R HN 0.356 nan 8.270 nan 0.000 0.430 255 E N -0.250 119.969 120.200 0.033 0.000 2.349 255 E HA 0.080 4.228 4.350 -0.338 0.000 0.201 255 E C 0.174 176.785 176.600 0.018 0.000 1.087 255 E CA -0.173 56.242 56.400 0.025 0.000 1.128 255 E CB 0.686 30.395 29.700 0.016 0.000 1.188 255 E HN 0.176 nan 8.360 nan 0.000 0.445 256 R N -0.041 120.473 120.500 0.024 0.000 2.538 256 R HA 0.169 4.306 4.340 -0.338 0.000 0.372 256 R C 0.070 176.387 176.300 0.028 0.000 0.950 256 R CA 0.126 56.227 56.100 0.001 0.000 1.168 256 R CB 1.175 31.450 30.300 -0.041 0.000 1.542 256 R HN 0.133 nan 8.270 nan 0.000 0.536 257 S N -0.423 115.331 115.700 0.091 0.000 2.643 257 S HA 0.662 4.929 4.470 -0.338 0.000 0.270 257 S C -1.075 173.614 174.600 0.149 0.000 1.166 257 S CA -0.186 58.127 58.200 0.189 0.000 0.815 257 S CB 1.892 65.309 63.200 0.361 0.000 1.139 257 S HN 0.116 nan 8.310 nan 0.000 0.472 258 S N 0.007 115.800 115.700 0.154 0.000 2.607 258 S HA 0.679 4.946 4.470 -0.338 0.000 0.273 258 S C -0.717 173.921 174.600 0.063 0.000 1.148 258 S CA -0.279 57.974 58.200 0.089 0.000 0.833 258 S CB 0.959 64.198 63.200 0.065 0.000 1.130 258 S HN 1.071 nan 8.310 nan 0.000 0.470 259 E N -0.023 120.199 120.200 0.037 0.000 2.440 259 E HA -0.165 3.982 4.350 -0.338 0.000 0.246 259 E C -0.535 176.068 176.600 0.005 0.000 1.165 259 E CA 0.447 56.855 56.400 0.014 0.000 0.726 259 E CB -1.161 28.537 29.700 -0.003 0.000 1.271 259 E HN 0.563 nan 8.360 nan 0.000 0.397 260 L N 1.657 122.896 121.223 0.027 0.000 2.315 260 L HA 0.217 4.355 4.340 -0.338 0.000 0.283 260 L C -0.011 176.867 176.870 0.013 0.000 1.089 260 L CA -0.022 54.830 54.840 0.020 0.000 0.833 260 L CB 0.356 42.466 42.059 0.085 0.000 1.170 260 L HN 0.175 nan 8.230 nan 0.000 0.442 261 H N 4.089 123.092 119.070 -0.112 0.000 2.511 261 H HA 0.533 4.886 4.556 -0.338 0.000 0.328 261 H C -1.260 173.940 175.328 -0.212 0.000 1.044 261 H CA -0.396 55.573 56.048 -0.131 0.000 1.212 261 H CB 1.673 31.374 29.762 -0.102 0.000 1.428 261 H HN 0.370 nan 8.280 nan 0.000 0.483 262 V N 7.051 126.468 119.914 -0.827 0.000 2.668 262 V HA 0.505 4.422 4.120 -0.338 0.000 0.304 262 V C -2.732 172.938 176.094 -0.707 0.000 1.071 262 V CA -1.918 59.880 62.300 -0.836 0.000 0.894 262 V CB 1.752 32.905 31.823 -1.116 0.000 1.008 262 V HN 0.785 nan 8.190 nan 0.000 0.425 263 P HA 0.270 nan 4.420 nan 0.000 0.269 263 P C 0.580 177.771 177.300 -0.182 0.000 1.209 263 P CA 0.105 63.046 63.100 -0.265 0.000 0.776 263 P CB 0.958 32.592 31.700 -0.109 0.000 0.876 264 S N -0.812 114.821 115.700 -0.111 0.000 2.548 264 S HA 0.151 4.419 4.470 -0.338 0.000 0.215 264 S C 0.630 175.218 174.600 -0.019 0.000 0.976 264 S CA 0.066 58.224 58.200 -0.070 0.000 0.908 264 S CB -0.137 63.030 63.200 -0.055 0.000 0.781 264 S HN 0.303 nan 8.310 nan 0.000 0.519 265 S N 3.091 118.784 115.700 -0.011 0.000 2.526 265 S HA 0.668 4.936 4.470 -0.338 0.000 0.293 265 S C -2.724 171.883 174.600 0.011 0.000 1.092 265 S CA -1.188 57.017 58.200 0.008 0.000 0.980 265 S CB 1.878 65.077 63.200 -0.001 0.000 1.048 265 S HN 0.309 nan 8.310 nan 0.000 0.483 266 P HA 0.277 nan 4.420 nan 0.000 0.276 266 P C -1.346 175.932 177.300 -0.037 0.000 1.252 266 P CA -0.595 62.473 63.100 -0.052 0.000 0.802 266 P CB 0.442 31.928 31.700 -0.356 0.000 1.035 267 Q N 0.221 120.019 119.800 -0.002 0.000 2.351 267 Q HA 0.592 4.729 4.340 -0.338 0.000 0.273 267 Q C -0.612 175.423 176.000 0.057 0.000 1.077 267 Q CA -1.170 54.651 55.803 0.029 0.000 0.843 267 Q CB 1.112 29.886 28.738 0.059 0.000 1.367 267 Q HN 0.279 nan 8.270 nan 0.000 0.449 268 L N 2.292 123.571 121.223 0.093 0.000 2.426 268 L HA 0.356 4.493 4.340 -0.338 0.000 0.271 268 L C -0.017 176.998 176.870 0.243 0.000 1.169 268 L CA -0.416 54.544 54.840 0.199 0.000 0.836 268 L CB 0.199 42.406 42.059 0.246 0.000 1.112 268 L HN 0.678 nan 8.230 nan 0.000 0.465 269 I N -0.521 120.211 120.570 0.269 0.000 3.145 269 I HA 0.839 4.807 4.170 -0.338 0.000 0.313 269 I C -0.236 175.935 176.117 0.090 0.000 1.122 269 I CA -0.361 61.049 61.300 0.183 0.000 0.987 269 I CB 2.399 40.498 38.000 0.165 0.000 1.236 269 I HN 0.531 nan 8.210 nan 0.000 0.453 270 T N -0.792 113.715 114.554 -0.079 0.000 2.906 270 T HA 0.832 4.979 4.350 -0.338 0.000 0.295 270 T C -0.241 174.354 174.700 -0.175 0.000 1.061 270 T CA -0.253 61.665 62.100 -0.303 0.000 1.000 270 T CB 1.478 69.996 68.868 -0.584 0.000 1.103 270 T HN 1.068 nan 8.240 nan 0.000 0.486 271 T N -1.641 112.787 114.554 -0.211 0.000 2.927 271 T HA 0.614 4.762 4.350 -0.338 0.000 0.286 271 T C -2.105 172.478 174.700 -0.195 0.000 1.040 271 T CA -2.131 59.889 62.100 -0.133 0.000 1.010 271 T CB 1.037 69.879 68.868 -0.044 0.000 1.177 271 T HN 0.276 nan 8.240 nan 0.000 0.546 272 P HA -0.052 nan 4.420 nan 0.000 0.220 272 P C 1.347 178.555 177.300 -0.154 0.000 1.144 272 P CA 1.405 64.420 63.100 -0.142 0.000 0.800 272 P CB -0.145 31.496 31.700 -0.098 0.000 0.772 273 T N -5.545 108.921 114.554 -0.147 0.000 3.000 273 T HA 0.285 4.432 4.350 -0.338 0.000 0.248 273 T C 0.506 175.111 174.700 -0.159 0.000 1.034 273 T CA 0.048 62.072 62.100 -0.127 0.000 1.060 273 T CB -0.062 68.754 68.868 -0.086 0.000 0.983 273 T HN -0.077 nan 8.240 nan 0.000 0.482 274 L N 0.178 121.253 121.223 -0.246 0.000 2.409 274 L HA 0.600 4.738 4.340 -0.338 0.000 0.262 274 L C -1.458 175.154 176.870 -0.430 0.000 0.992 274 L CA -1.326 53.330 54.840 -0.307 0.000 0.817 274 L CB 2.562 44.367 42.059 -0.423 0.000 1.350 274 L HN 0.226 nan 8.230 nan 0.000 0.411 275 W N 1.288 122.427 121.300 -0.268 0.000 2.376 275 W HA 0.477 4.938 4.660 -0.332 0.000 0.322 275 W C 0.086 176.415 176.519 -0.316 0.000 1.160 275 W CA -0.009 57.209 57.345 -0.211 0.000 1.218 275 W CB 0.740 30.146 29.460 -0.089 0.000 1.205 275 W HN 0.266 nan 8.180 nan 0.000 0.559 276 H N 2.056 121.292 119.070 0.276 0.000 2.821 276 H HA 0.441 4.793 4.556 -0.340 0.000 0.373 276 H C -0.667 174.751 175.328 0.149 0.000 1.165 276 H CA -1.167 54.992 56.048 0.185 0.000 1.154 276 H CB 1.473 31.326 29.762 0.153 0.000 1.765 276 H HN 0.140 nan 8.280 nan 0.000 0.549 277 L N 1.485 122.836 121.223 0.213 0.000 2.305 277 L HA 0.544 4.682 4.340 -0.338 0.000 0.281 277 L C 0.400 177.283 176.870 0.021 0.000 1.085 277 L CA -0.506 54.312 54.840 -0.037 0.000 0.813 277 L CB 0.811 42.678 42.059 -0.320 0.000 1.157 277 L HN 0.550 nan 8.230 nan 0.000 0.436 278 A N 2.257 125.103 122.820 0.043 0.000 2.414 278 A HA 0.840 4.957 4.320 -0.338 0.000 0.306 278 A C -0.580 177.149 177.584 0.242 0.000 1.054 278 A CA -0.455 51.716 52.037 0.223 0.000 0.724 278 A CB 1.748 20.868 19.000 0.200 0.000 1.267 278 A HN 0.564 nan 8.150 nan 0.000 0.418 279 T N 4.298 119.069 114.554 0.362 0.000 2.985 279 T HA 0.532 4.679 4.350 -0.338 0.000 0.315 279 T C -3.040 171.864 174.700 0.339 0.000 1.001 279 T CA -0.869 61.425 62.100 0.325 0.000 1.016 279 T CB 1.493 70.617 68.868 0.426 0.000 0.993 279 T HN 0.479 nan 8.240 nan 0.000 0.454 280 P HA 0.424 nan 4.420 nan 0.000 0.282 280 P C -0.969 176.464 177.300 0.221 0.000 1.262 280 P CA -0.514 62.731 63.100 0.242 0.000 0.773 280 P CB 0.329 32.121 31.700 0.154 0.000 0.879 281 F N 2.009 121.979 119.950 0.033 0.000 2.421 281 F HA 0.401 4.726 4.527 -0.337 0.000 0.337 281 F C 0.963 176.736 175.800 -0.046 0.000 1.105 281 F CA -0.293 57.711 58.000 0.007 0.000 1.049 281 F CB 1.416 40.457 39.000 0.067 0.000 1.139 281 F HN 0.270 nan 8.300 nan 0.000 0.479 282 E N 1.239 121.447 120.200 0.013 0.000 2.260 282 E HA 0.631 4.779 4.350 -0.338 0.000 0.266 282 E C -0.276 176.118 176.600 -0.342 0.000 0.887 282 E CA -0.677 55.611 56.400 -0.187 0.000 0.777 282 E CB 2.225 31.876 29.700 -0.082 0.000 1.205 282 E HN 0.788 nan 8.360 nan 0.000 0.414 283 G N 1.996 110.275 108.800 -0.867 0.000 2.975 283 G HA2 0.596 4.353 3.960 -0.338 0.000 0.291 283 G HA3 0.596 4.353 3.960 -0.338 0.000 0.291 283 G C -1.169 173.384 174.900 -0.578 0.000 1.334 283 G CA -0.644 44.053 45.100 -0.672 0.000 0.843 283 G HN 0.217 nan 8.290 nan 0.000 0.548 284 K N -0.317 120.026 120.400 -0.095 0.000 2.378 284 K HA 0.653 4.770 4.320 -0.338 0.000 0.252 284 K C -0.741 176.059 176.600 0.334 0.000 0.931 284 K CA -0.584 55.763 56.287 0.101 0.000 0.794 284 K CB 2.431 34.960 32.500 0.048 0.000 1.181 284 K HN 0.634 nan 8.250 nan 0.000 0.425 285 A N 2.730 125.755 122.820 0.341 0.000 2.301 285 A HA 0.227 4.344 4.320 -0.338 0.000 0.312 285 A C -0.016 177.633 177.584 0.109 0.000 1.182 285 A CA -0.659 51.510 52.037 0.221 0.000 0.826 285 A CB 0.359 19.444 19.000 0.141 0.000 1.134 285 A HN 0.946 nan 8.150 nan 0.000 0.501 286 N N 1.573 120.315 118.700 0.070 0.000 2.283 286 N HA -0.105 4.433 4.740 -0.338 0.000 0.236 286 N C 0.880 176.408 175.510 0.029 0.000 1.252 286 N CA 0.638 53.712 53.050 0.041 0.000 0.856 286 N CB 0.478 38.980 38.487 0.025 0.000 1.099 286 N HN 0.520 nan 8.380 nan 0.000 0.444 287 S N 1.032 116.746 115.700 0.023 0.000 2.603 287 S HA -0.021 4.246 4.470 -0.338 0.000 0.229 287 S C 1.228 175.833 174.600 0.009 0.000 0.972 287 S CA 0.515 58.726 58.200 0.017 0.000 0.935 287 S CB -0.060 63.148 63.200 0.015 0.000 0.769 287 S HN 0.571 nan 8.310 nan 0.000 0.536 288 Q N 0.592 120.395 119.800 0.005 0.000 2.322 288 Q HA 0.126 4.264 4.340 -0.338 0.000 0.203 288 Q C -0.384 175.611 176.000 -0.008 0.000 0.923 288 Q CA 0.417 56.220 55.803 -0.000 0.000 0.949 288 Q CB 0.367 29.104 28.738 -0.001 0.000 1.039 288 Q HN 0.514 nan 8.270 nan 0.000 0.496 289 E N 1.314 121.507 120.200 -0.011 0.000 2.221 289 E HA 0.262 4.410 4.350 -0.338 0.000 0.268 289 E C -0.550 176.040 176.600 -0.016 0.000 0.933 289 E CA -0.509 55.874 56.400 -0.029 0.000 0.809 289 E CB 1.436 31.102 29.700 -0.056 0.000 1.190 289 E HN 0.202 nan 8.360 nan 0.000 0.406 290 N N -1.211 117.477 118.700 -0.020 0.000 3.038 290 N HA 0.415 4.953 4.740 -0.338 0.000 0.307 290 N C 0.375 175.878 175.510 -0.012 0.000 1.441 290 N CA -0.414 52.635 53.050 -0.002 0.000 0.772 290 N CB 0.253 38.753 38.487 0.021 0.000 1.651 290 N HN 0.294 nan 8.380 nan 0.000 0.593 291 A N -0.739 122.095 122.820 0.022 0.000 2.024 291 A HA -0.075 4.043 4.320 -0.338 0.000 0.220 291 A C 1.550 179.143 177.584 0.014 0.000 1.164 291 A CA 1.216 53.285 52.037 0.054 0.000 0.643 291 A CB -0.726 18.329 19.000 0.093 0.000 0.806 291 A HN 0.507 nan 8.150 nan 0.000 0.451 292 L N -0.196 121.022 121.223 -0.008 0.000 2.298 292 L HA -0.008 4.130 4.340 -0.338 0.000 0.209 292 L C 2.778 179.570 176.870 -0.129 0.000 1.084 292 L CA 2.282 57.035 54.840 -0.146 0.000 0.816 292 L CB -1.041 41.031 42.059 0.023 0.000 0.967 292 L HN 0.619 nan 8.230 nan 0.000 0.460 293 T N -3.187 111.327 114.554 -0.067 0.000 2.746 293 T HA -0.179 3.968 4.350 -0.338 0.000 0.267 293 T C 2.012 176.620 174.700 -0.154 0.000 1.039 293 T CA 1.323 63.373 62.100 -0.083 0.000 1.142 293 T CB -0.595 68.238 68.868 -0.058 0.000 0.866 293 T HN 0.258 nan 8.240 nan 0.000 0.444 294 L N 0.860 121.969 121.223 -0.191 0.000 2.109 294 L HA 0.165 4.302 4.340 -0.338 0.000 0.207 294 L C 3.312 180.036 176.870 -0.245 0.000 1.086 294 L CA 0.975 55.654 54.840 -0.268 0.000 0.760 294 L CB -0.698 41.130 42.059 -0.386 0.000 0.910 294 L HN 0.371 nan 8.230 nan 0.000 0.437 295 A N -0.764 121.910 122.820 -0.244 0.000 1.873 295 A HA -0.212 3.906 4.320 -0.338 0.000 0.215 295 A C 2.380 179.804 177.584 -0.266 0.000 1.186 295 A CA 1.739 53.612 52.037 -0.273 0.000 0.616 295 A CB -1.154 17.554 19.000 -0.487 0.000 0.823 295 A HN 0.513 nan 8.150 nan 0.000 0.442 296 C N -1.238 117.885 119.300 -0.296 0.000 2.422 296 C HA -0.042 4.216 4.460 -0.338 0.000 0.279 296 C C 2.538 177.394 174.990 -0.224 0.000 1.305 296 C CA 1.079 59.932 59.018 -0.276 0.000 1.757 296 C CB -1.418 26.149 27.740 -0.287 0.000 1.962 296 C HN 0.677 nan 8.230 nan 0.000 0.499 297 L N 0.271 121.374 121.223 -0.201 0.000 2.056 297 L HA -0.050 4.088 4.340 -0.338 0.000 0.207 297 L C 2.257 179.014 176.870 -0.189 0.000 1.078 297 L CA 1.863 56.594 54.840 -0.182 0.000 0.749 297 L CB -0.503 41.454 42.059 -0.171 0.000 0.901 297 L HN 0.282 nan 8.230 nan 0.000 0.433 298 L N -1.476 119.638 121.223 -0.183 0.000 2.095 298 L HA -0.078 4.060 4.340 -0.338 0.000 0.204 298 L C 1.064 177.837 176.870 -0.162 0.000 1.080 298 L CA 0.299 55.037 54.840 -0.169 0.000 0.759 298 L CB -0.425 41.541 42.059 -0.156 0.000 0.914 298 L HN 0.256 nan 8.230 nan 0.000 0.439 299 H N 1.069 119.997 119.070 -0.237 0.000 2.502 299 H HA 0.237 4.590 4.556 -0.337 0.000 0.327 299 H C -2.247 172.899 175.328 -0.304 0.000 1.099 299 H CA -1.802 54.112 56.048 -0.222 0.000 1.323 299 H CB 1.661 31.308 29.762 -0.191 0.000 1.450 299 H HN -0.083 nan 8.280 nan 0.000 0.502 300 P HA 0.100 nan 4.420 nan 0.000 0.282 300 P C -0.406 176.616 177.300 -0.464 0.000 1.249 300 P CA -0.553 61.950 63.100 -0.995 0.000 0.806 300 P CB 0.982 32.321 31.700 -0.602 0.000 0.984 301 T N -1.048 113.321 114.554 -0.308 0.000 2.847 301 T HA 0.320 4.468 4.350 -0.338 0.000 0.279 301 T C -1.940 172.745 174.700 -0.025 0.000 0.984 301 T CA -1.990 60.030 62.100 -0.135 0.000 0.988 301 T CB 0.140 68.946 68.868 -0.104 0.000 1.040 301 T HN 0.118 nan 8.240 nan 0.000 0.528 302 P HA 0.131 nan 4.420 nan 0.000 0.236 302 P C 1.030 178.361 177.300 0.052 0.000 1.172 302 P CA 0.436 63.583 63.100 0.079 0.000 0.759 302 P CB -0.342 31.408 31.700 0.084 0.000 0.843 303 A N -1.155 121.681 122.820 0.027 0.000 2.067 303 A HA -0.023 4.094 4.320 -0.338 0.000 0.217 303 A C 1.840 179.484 177.584 0.100 0.000 1.156 303 A CA 1.096 53.163 52.037 0.050 0.000 0.683 303 A CB -0.683 18.338 19.000 0.035 0.000 0.808 303 A HN 0.122 nan 8.150 nan 0.000 0.455 304 L N -1.224 120.073 121.223 0.124 0.000 2.685 304 L HA 0.090 4.227 4.340 -0.338 0.000 0.235 304 L C 2.278 179.317 176.870 0.283 0.000 1.070 304 L CA 1.719 56.684 54.840 0.210 0.000 0.888 304 L CB -0.331 41.888 42.059 0.266 0.000 1.203 304 L HN 0.568 nan 8.230 nan 0.000 0.499 305 S N -1.086 114.783 115.700 0.281 0.000 2.998 305 S HA 0.596 4.863 4.470 -0.338 0.000 0.208 305 S C 0.879 175.596 174.600 0.196 0.000 0.876 305 S CA 0.485 58.889 58.200 0.341 0.000 0.836 305 S CB 1.450 64.916 63.200 0.445 0.000 0.817 305 S HN 0.317 nan 8.310 nan 0.000 0.631 306 G N 0.667 109.581 108.800 0.190 0.000 2.345 306 G HA2 0.379 4.136 3.960 -0.338 0.000 0.285 306 G HA3 0.379 4.136 3.960 -0.338 0.000 0.285 306 G C -2.187 172.849 174.900 0.226 0.000 1.297 306 G CA -0.463 44.730 45.100 0.156 0.000 0.875 306 G HN 0.825 nan 8.290 nan 0.000 0.506 307 F N 0.807 120.771 119.950 0.024 0.000 2.604 307 F HA 0.674 4.998 4.527 -0.338 0.000 0.316 307 F C -2.552 173.254 175.800 0.010 0.000 1.136 307 F CA -1.728 56.284 58.000 0.019 0.000 0.989 307 F CB 2.579 41.579 39.000 -0.001 0.000 1.258 307 F HN 0.368 nan 8.300 nan 0.000 0.451 308 P HA 0.017 nan 4.420 nan 0.000 0.268 308 P C 0.574 177.681 177.300 -0.323 0.000 1.208 308 P CA 0.358 62.855 63.100 -1.006 0.000 0.777 308 P CB 0.377 31.647 31.700 -0.716 0.000 0.875 309 H N 2.387 121.307 119.070 -0.250 0.000 2.319 309 H HA -0.203 4.150 4.556 -0.338 0.000 0.299 309 H C 1.542 176.810 175.328 -0.100 0.000 1.092 309 H CA 1.943 57.929 56.048 -0.103 0.000 1.302 309 H CB 0.181 29.895 29.762 -0.081 0.000 1.373 309 H HN 0.451 nan 8.280 nan 0.000 0.497 310 Q N 0.108 119.746 119.800 -0.271 0.000 2.083 310 Q HA -0.061 4.077 4.340 -0.338 0.000 0.198 310 Q C 2.489 178.351 176.000 -0.231 0.000 0.969 310 Q CA 0.949 56.569 55.803 -0.304 0.000 0.838 310 Q CB -0.065 28.582 28.738 -0.151 0.000 0.900 310 Q HN 0.547 nan 8.270 nan 0.000 0.436 311 A N 0.788 123.499 122.820 -0.182 0.000 1.986 311 A HA -0.191 3.926 4.320 -0.338 0.000 0.220 311 A C 2.172 179.684 177.584 -0.120 0.000 1.171 311 A CA 1.842 53.797 52.037 -0.137 0.000 0.640 311 A CB -0.689 18.231 19.000 -0.133 0.000 0.811 311 A HN 0.512 nan 8.150 nan 0.000 0.451 312 A N -0.410 122.328 122.820 -0.136 0.000 1.872 312 A HA -0.033 4.084 4.320 -0.338 0.000 0.214 312 A C 2.428 179.968 177.584 -0.072 0.000 1.187 312 A CA 2.283 54.274 52.037 -0.076 0.000 0.614 312 A CB -1.397 17.587 19.000 -0.028 0.000 0.826 312 A HN 0.793 nan 8.150 nan 0.000 0.442 313 T N -2.221 112.242 114.554 -0.151 0.000 2.881 313 T HA -0.210 3.937 4.350 -0.338 0.000 0.270 313 T C 1.844 176.511 174.700 -0.055 0.000 1.068 313 T CA 1.708 63.761 62.100 -0.079 0.000 1.131 313 T CB -0.328 68.409 68.868 -0.218 0.000 0.871 313 T HN 0.538 nan 8.240 nan 0.000 0.479 314 Q N 0.393 120.141 119.800 -0.086 0.000 2.020 314 Q HA 0.023 4.160 4.340 -0.338 0.000 0.198 314 Q C 2.612 178.582 176.000 -0.049 0.000 0.974 314 Q CA 1.426 57.191 55.803 -0.065 0.000 0.829 314 Q CB -0.316 28.378 28.738 -0.072 0.000 0.894 314 Q HN 0.442 nan 8.270 nan 0.000 0.433 315 V N 0.872 120.757 119.914 -0.049 0.000 2.392 315 V HA -0.287 3.631 4.120 -0.338 0.000 0.249 315 V C 2.065 178.134 176.094 -0.041 0.000 1.059 315 V CA 1.606 63.882 62.300 -0.040 0.000 1.051 315 V CB -0.504 31.297 31.823 -0.035 0.000 0.658 315 V HN 0.377 nan 8.190 nan 0.000 0.455 316 I N 0.323 120.872 120.570 -0.035 0.000 2.179 316 I HA -0.244 3.724 4.170 -0.338 0.000 0.242 316 I C 2.666 178.740 176.117 -0.073 0.000 1.088 316 I CA 1.507 62.779 61.300 -0.048 0.000 1.357 316 I CB -0.555 37.432 38.000 -0.021 0.000 1.051 316 I HN 0.292 nan 8.210 nan 0.000 0.409 317 A N 0.383 123.175 122.820 -0.047 0.000 1.902 317 A HA -0.248 3.870 4.320 -0.338 0.000 0.217 317 A C 2.186 179.737 177.584 -0.055 0.000 1.181 317 A CA 1.847 53.854 52.037 -0.050 0.000 0.623 317 A CB -0.627 18.356 19.000 -0.029 0.000 0.818 317 A HN 0.444 nan 8.150 nan 0.000 0.443 318 E N -0.529 119.644 120.200 -0.045 0.000 2.110 318 E HA -0.109 4.038 4.350 -0.338 0.000 0.193 318 E C 1.844 178.420 176.600 -0.040 0.000 0.988 318 E CA 1.235 57.612 56.400 -0.038 0.000 0.804 318 E CB -0.152 29.528 29.700 -0.033 0.000 0.745 318 E HN 0.635 nan 8.360 nan 0.000 0.458 319 L N 0.222 121.414 121.223 -0.052 0.000 2.316 319 L HA 0.104 4.242 4.340 -0.338 0.000 0.207 319 L C 0.565 177.405 176.870 -0.050 0.000 1.070 319 L CA 0.147 54.961 54.840 -0.044 0.000 0.820 319 L CB 0.178 42.208 42.059 -0.048 0.000 0.992 319 L HN -0.038 nan 8.230 nan 0.000 0.466 320 E N 2.202 122.327 120.200 -0.125 0.000 2.259 320 E HA 0.084 4.231 4.350 -0.338 0.000 0.281 320 E C -1.712 174.749 176.600 -0.231 0.000 1.037 320 E CA -1.577 54.667 56.400 -0.260 0.000 0.854 320 E CB 0.984 30.314 29.700 -0.617 0.000 1.051 320 E HN 0.046 nan 8.360 nan 0.000 0.409 321 P HA 0.048 nan 4.420 nan 0.000 0.256 321 P C -0.902 176.528 177.300 0.217 0.000 1.384 321 P CA 0.239 63.404 63.100 0.109 0.000 0.879 321 P CB -0.237 31.595 31.700 0.219 0.000 1.403 322 F N -2.431 117.572 119.950 0.089 0.000 2.685 322 F HA 0.704 5.031 4.527 -0.334 0.000 0.315 322 F C -1.083 174.771 175.800 0.089 0.000 1.126 322 F CA -1.919 56.136 58.000 0.092 0.000 0.950 322 F CB 0.363 39.434 39.000 0.119 0.000 1.360 322 F HN -0.394 nan 8.300 nan 0.000 0.469 323 D N 0.490 121.043 120.400 0.255 0.000 2.232 323 D HA 0.382 4.820 4.640 -0.338 0.000 0.242 323 D C 0.791 177.257 176.300 0.278 0.000 1.093 323 D CA -0.391 53.698 54.000 0.148 0.000 0.845 323 D CB 1.574 42.441 40.800 0.112 0.000 1.124 323 D HN 0.612 nan 8.370 nan 0.000 0.467 324 R N 2.473 123.084 120.500 0.185 0.000 2.092 324 R HA -0.071 4.066 4.340 -0.338 0.000 0.231 324 R C 0.754 177.104 176.300 0.084 0.000 1.119 324 R CA 1.027 57.250 56.100 0.205 0.000 0.970 324 R CB -0.088 30.203 30.300 -0.014 0.000 0.864 324 R HN 0.674 nan 8.270 nan 0.000 0.440 325 E N -1.379 118.859 120.200 0.064 0.000 3.211 325 E HA -0.346 3.801 4.350 -0.338 0.000 0.393 325 E C 1.085 177.646 176.600 -0.065 0.000 1.515 325 E CA 1.784 58.170 56.400 -0.022 0.000 1.385 325 E CB -1.283 28.361 29.700 -0.093 0.000 1.616 325 E HN 0.174 nan 8.360 nan 0.000 0.489 326 L N 0.284 121.368 121.223 -0.232 0.000 2.418 326 L HA 0.164 4.301 4.340 -0.338 0.000 0.218 326 L C 1.023 177.792 176.870 -0.169 0.000 1.125 326 L CA 0.039 54.764 54.840 -0.190 0.000 0.835 326 L CB -0.071 41.862 42.059 -0.210 0.000 0.953 326 L HN 0.117 nan 8.230 nan 0.000 0.454 327 F N 0.370 120.200 119.950 -0.200 0.000 2.538 327 F HA 0.237 4.555 4.527 -0.349 0.000 0.371 327 F C 1.588 177.114 175.800 -0.456 0.000 1.087 327 F CA 0.428 58.099 58.000 -0.548 0.000 1.250 327 F CB 0.614 38.808 39.000 -1.344 0.000 1.110 327 F HN 0.137 nan 8.300 nan 0.000 0.570 328 G N 2.264 111.085 108.800 0.034 0.000 2.179 328 G HA2 -0.223 3.534 3.960 -0.338 0.000 0.260 328 G HA3 -0.223 3.534 3.960 -0.338 0.000 0.260 328 G C 0.526 175.753 174.900 0.545 0.000 0.977 328 G CA -0.108 45.184 45.100 0.320 0.000 0.641 328 G HN 1.148 nan 8.290 nan 0.000 0.533 329 G N -0.269 108.717 108.800 0.311 0.000 2.531 329 G HA2 0.763 4.520 3.960 -0.338 0.000 0.253 329 G HA3 0.763 4.520 3.960 -0.338 0.000 0.253 329 G C 0.300 175.093 174.900 -0.178 0.000 1.439 329 G CA -0.293 44.899 45.100 0.153 0.000 1.056 329 G HN 1.363 nan 8.290 nan 0.000 0.555 330 I N -2.834 117.571 120.570 -0.276 0.000 2.740 330 I HA 0.787 4.755 4.170 -0.338 0.000 0.303 330 I C -0.887 175.252 176.117 0.036 0.000 1.044 330 I CA -1.240 59.936 61.300 -0.206 0.000 1.064 330 I CB 2.179 39.999 38.000 -0.301 0.000 1.249 330 I HN 0.422 nan 8.210 nan 0.000 0.433 331 V N 3.563 123.530 119.914 0.087 0.000 2.876 331 V HA 1.036 4.953 4.120 -0.338 0.000 0.312 331 V C -0.087 176.051 176.094 0.073 0.000 1.085 331 V CA 0.633 62.993 62.300 0.101 0.000 0.945 331 V CB 1.473 33.087 31.823 -0.348 0.000 1.017 331 V HN 1.339 nan 8.190 nan 0.000 0.428 332 G N 4.544 113.188 108.800 -0.260 0.000 2.455 332 G HA2 0.286 4.043 3.960 -0.338 0.000 0.223 332 G HA3 0.286 4.043 3.960 -0.338 0.000 0.223 332 G C -1.456 172.599 174.900 -1.409 0.000 1.226 332 G CA -0.005 44.380 45.100 -1.191 0.000 0.948 332 G HN 1.672 nan 8.290 nan 0.000 0.478 333 W N -1.151 119.030 121.300 -1.865 0.000 3.074 333 W HA 0.714 5.169 4.660 -0.342 0.000 0.332 333 W C -1.602 174.535 176.519 -0.637 0.000 1.253 333 W CA -1.093 55.662 57.345 -0.982 0.000 1.180 333 W CB 1.086 30.259 29.460 -0.479 0.000 1.445 333 W HN 1.097 nan 8.180 nan 0.000 0.573 334 C N 3.141 122.542 119.300 0.168 0.000 2.891 334 C HA 0.446 4.703 4.460 -0.338 0.000 0.342 334 C C -0.506 174.702 174.990 0.363 0.000 1.126 334 C CA -0.155 58.992 59.018 0.215 0.000 1.322 334 C CB 1.025 29.033 27.740 0.446 0.000 1.763 334 C HN 0.746 nan 8.230 nan 0.000 0.491 335 D N 1.340 121.849 120.400 0.182 0.000 2.616 335 D HA 0.452 4.889 4.640 -0.338 0.000 0.260 335 D C 0.706 176.677 176.300 -0.547 0.000 1.158 335 D CA -0.087 53.853 54.000 -0.099 0.000 1.085 335 D CB 0.859 41.636 40.800 -0.040 0.000 1.222 335 D HN 0.438 nan 8.370 nan 0.000 0.626 336 S N -1.824 113.395 115.700 -0.802 0.000 2.548 336 S HA -0.033 4.234 4.470 -0.338 0.000 0.215 336 S C 0.745 175.115 174.600 -0.383 0.000 0.976 336 S CA -0.029 57.594 58.200 -0.962 0.000 0.908 336 S CB -0.535 62.122 63.200 -0.905 0.000 0.781 336 S HN 0.644 nan 8.310 nan 0.000 0.519 337 E N 0.733 120.792 120.200 -0.235 0.000 2.499 337 E HA 0.398 4.545 4.350 -0.338 0.000 0.199 337 E C 0.947 177.509 176.600 -0.063 0.000 1.016 337 E CA 0.134 56.465 56.400 -0.116 0.000 0.933 337 E CB -0.095 29.559 29.700 -0.076 0.000 1.050 337 E HN 0.541 nan 8.360 nan 0.000 0.462 338 G N 1.328 110.086 108.800 -0.070 0.000 2.141 338 G HA2 -0.247 3.511 3.960 -0.338 0.000 0.231 338 G HA3 -0.247 3.511 3.960 -0.338 0.000 0.231 338 G C -0.319 174.581 174.900 0.001 0.000 0.984 338 G CA 0.052 45.139 45.100 -0.021 0.000 0.660 338 G HN 0.399 nan 8.290 nan 0.000 0.525 339 N N -0.324 118.381 118.700 0.010 0.000 2.485 339 N HA 0.775 5.312 4.740 -0.338 0.000 0.280 339 N C 0.376 175.772 175.510 -0.189 0.000 1.205 339 N CA 0.210 53.271 53.050 0.018 0.000 0.959 339 N CB 1.850 40.434 38.487 0.162 0.000 1.206 339 N HN 0.947 nan 8.380 nan 0.000 0.545 340 G N -0.595 107.901 108.800 -0.507 0.000 2.316 340 G HA2 0.320 4.078 3.960 -0.338 0.000 0.296 340 G HA3 0.320 4.078 3.960 -0.338 0.000 0.296 340 G C -2.041 172.201 174.900 -1.097 0.000 1.399 340 G CA -0.672 43.572 45.100 -1.425 0.000 0.833 340 G HN 0.572 nan 8.290 nan 0.000 0.565 341 E N -0.846 118.357 120.200 -1.662 0.000 2.308 341 E HA 0.608 4.756 4.350 -0.338 0.000 0.275 341 E C -1.914 173.996 176.600 -1.150 0.000 0.890 341 E CA -0.897 54.989 56.400 -0.857 0.000 0.754 341 E CB 1.978 31.543 29.700 -0.227 0.000 1.207 341 E HN 0.496 nan 8.360 nan 0.000 0.426 342 W N 4.321 125.457 121.300 -0.273 0.000 2.781 342 W HA 0.484 4.941 4.660 -0.337 0.000 0.333 342 W C -0.772 175.641 176.519 -0.177 0.000 1.047 342 W CA -0.735 56.477 57.345 -0.221 0.000 1.236 342 W CB 1.852 31.173 29.460 -0.231 0.000 1.394 342 W HN 0.353 nan 8.180 nan 0.000 0.466 343 V N 0.490 120.445 119.914 0.068 0.000 2.960 343 V HA 0.760 4.677 4.120 -0.338 0.000 0.315 343 V C -0.559 175.535 176.094 0.000 0.000 1.087 343 V CA -1.213 61.068 62.300 -0.033 0.000 0.982 343 V CB 1.290 33.043 31.823 -0.117 0.000 1.039 343 V HN 0.234 nan 8.190 nan 0.000 0.437 344 V N 2.091 122.029 119.914 0.040 0.000 2.715 344 V HA 0.222 4.139 4.120 -0.338 0.000 0.299 344 V C 0.956 177.136 176.094 0.144 0.000 1.054 344 V CA 0.235 62.585 62.300 0.084 0.000 1.077 344 V CB 1.135 33.072 31.823 0.189 0.000 0.972 344 V HN 1.052 nan 8.190 nan 0.000 0.484 345 T N 7.246 121.886 114.554 0.143 0.000 3.176 345 T HA 0.508 4.655 4.350 -0.338 0.000 0.301 345 T C -0.046 174.899 174.700 0.407 0.000 1.115 345 T CA 0.167 62.410 62.100 0.238 0.000 1.027 345 T CB -0.959 68.004 68.868 0.158 0.000 1.063 345 T HN 0.582 nan 8.240 nan 0.000 0.669 346 I N -1.892 118.949 120.570 0.450 0.000 3.354 346 I HA 0.676 4.643 4.170 -0.338 0.000 0.316 346 I C -0.572 175.754 176.117 0.348 0.000 1.182 346 I CA -1.889 59.669 61.300 0.429 0.000 0.942 346 I CB 1.395 39.592 38.000 0.329 0.000 1.299 346 I HN -0.061 nan 8.210 nan 0.000 0.473 347 R N 0.234 120.868 120.500 0.225 0.000 3.251 347 R HA -0.159 3.978 4.340 -0.338 0.000 0.249 347 R C -0.627 175.753 176.300 0.133 0.000 0.949 347 R CA 0.831 57.013 56.100 0.137 0.000 0.645 347 R CB -2.700 27.677 30.300 0.127 0.000 1.065 347 R HN 0.964 nan 8.270 nan 0.000 0.452 348 C N -3.813 115.592 119.300 0.175 0.000 3.323 348 C HA 0.987 5.244 4.460 -0.338 0.000 0.324 348 C C -0.348 174.773 174.990 0.219 0.000 1.428 348 C CA -0.522 58.620 59.018 0.207 0.000 1.368 348 C CB 2.528 30.540 27.740 0.453 0.000 1.731 348 C HN 0.779 nan 8.230 nan 0.000 0.455 349 A N 0.787 123.776 122.820 0.282 0.000 2.574 349 A HA 0.827 4.945 4.320 -0.338 0.000 0.297 349 A C -1.374 176.420 177.584 0.349 0.000 1.062 349 A CA -0.338 51.882 52.037 0.305 0.000 0.686 349 A CB 1.589 20.735 19.000 0.243 0.000 1.285 349 A HN 1.180 nan 8.150 nan 0.000 0.403 350 K N 1.627 122.255 120.400 0.381 0.000 2.367 350 K HA 0.640 4.758 4.320 -0.338 0.000 0.263 350 K C -1.238 175.455 176.600 0.155 0.000 1.000 350 K CA -0.360 56.054 56.287 0.212 0.000 0.891 350 K CB 0.248 32.819 32.500 0.118 0.000 1.117 350 K HN 0.840 nan 8.250 nan 0.000 0.443 351 L N 1.181 122.473 121.223 0.115 0.000 2.329 351 L HA 0.724 4.861 4.340 -0.338 0.000 0.279 351 L C -0.524 176.386 176.870 0.066 0.000 1.014 351 L CA -0.685 54.217 54.840 0.104 0.000 0.814 351 L CB 1.978 44.125 42.059 0.148 0.000 1.257 351 L HN 0.600 nan 8.230 nan 0.000 0.424 352 R N 2.448 122.984 120.500 0.060 0.000 2.510 352 R HA 0.346 4.483 4.340 -0.338 0.000 0.294 352 R C -0.629 175.699 176.300 0.045 0.000 1.056 352 R CA -0.187 55.941 56.100 0.045 0.000 0.918 352 R CB 1.055 31.376 30.300 0.035 0.000 1.187 352 R HN 1.022 nan 8.270 nan 0.000 0.437 353 E N 1.425 121.652 120.200 0.045 0.000 3.132 353 E HA -0.356 3.791 4.350 -0.338 0.000 0.362 353 E C 0.027 176.656 176.600 0.048 0.000 1.473 353 E CA 2.094 58.519 56.400 0.042 0.000 1.471 353 E CB -0.910 28.809 29.700 0.032 0.000 1.727 353 E HN 0.930 nan 8.360 nan 0.000 0.509 354 N N 1.866 120.589 118.700 0.039 0.000 2.313 354 N HA 0.030 4.567 4.740 -0.338 0.000 0.207 354 N C 0.075 175.603 175.510 0.031 0.000 1.141 354 N CA 0.157 53.230 53.050 0.039 0.000 0.830 354 N CB 0.442 38.946 38.487 0.028 0.000 1.008 354 N HN 0.106 nan 8.380 nan 0.000 0.481 355 Q N 1.040 120.861 119.800 0.035 0.000 2.323 355 Q HA 0.373 4.510 4.340 -0.338 0.000 0.271 355 Q C -1.802 174.215 176.000 0.028 0.000 1.048 355 Q CA -0.678 55.137 55.803 0.020 0.000 0.792 355 Q CB 3.125 31.875 28.738 0.021 0.000 1.280 355 Q HN 0.128 nan 8.270 nan 0.000 0.441 356 V N 3.374 123.280 119.914 -0.013 0.000 2.638 356 V HA 0.600 4.517 4.120 -0.338 0.000 0.306 356 V C -1.315 174.764 176.094 -0.026 0.000 1.052 356 V CA -0.641 61.652 62.300 -0.012 0.000 0.885 356 V CB 2.155 33.919 31.823 -0.098 0.000 0.999 356 V HN 0.725 nan 8.190 nan 0.000 0.424 357 R N 6.170 126.711 120.500 0.068 0.000 2.393 357 R HA 0.668 4.805 4.340 -0.338 0.000 0.315 357 R C -1.452 174.885 176.300 0.061 0.000 0.952 357 R CA -0.624 55.524 56.100 0.079 0.000 0.842 357 R CB 1.346 31.773 30.300 0.211 0.000 1.163 357 R HN 0.792 nan 8.270 nan 0.000 0.450 358 L N 4.593 125.750 121.223 -0.111 0.000 2.334 358 L HA 0.573 4.710 4.340 -0.338 0.000 0.275 358 L C -0.587 176.068 176.870 -0.359 0.000 1.036 358 L CA -0.867 53.861 54.840 -0.187 0.000 0.807 358 L CB 1.276 43.232 42.059 -0.171 0.000 1.231 358 L HN 0.563 nan 8.230 nan 0.000 0.438 359 F N 1.832 121.398 119.950 -0.639 0.000 2.565 359 F HA 0.801 5.121 4.527 -0.345 0.000 0.313 359 F C -0.770 174.814 175.800 -0.361 0.000 1.091 359 F CA -0.520 57.056 58.000 -0.707 0.000 0.915 359 F CB 1.847 40.058 39.000 -1.315 0.000 1.208 359 F HN 0.488 nan 8.300 nan 0.000 0.453 360 A N 3.010 125.115 122.820 -1.191 0.000 2.589 360 A HA 0.787 4.905 4.320 -0.338 0.000 0.296 360 A C -1.244 175.754 177.584 -0.977 0.000 1.062 360 A CA -0.182 51.272 52.037 -0.971 0.000 0.686 360 A CB 1.179 19.883 19.000 -0.493 0.000 1.282 360 A HN 1.381 nan 8.150 nan 0.000 0.404 361 G N -0.662 107.768 108.800 -0.617 0.000 2.630 361 G HA2 0.930 4.687 3.960 -0.338 0.000 0.296 361 G HA3 0.930 4.687 3.960 -0.338 0.000 0.296 361 G C -0.658 174.209 174.900 -0.055 0.000 1.285 361 G CA -0.099 44.854 45.100 -0.246 0.000 0.958 361 G HN 2.028 nan 8.290 nan 0.000 0.479 362 A N -0.819 122.039 122.820 0.064 0.000 2.520 362 A HA 0.823 4.941 4.320 -0.338 0.000 0.298 362 A C 0.078 177.721 177.584 0.098 0.000 1.051 362 A CA -0.044 52.047 52.037 0.091 0.000 0.690 362 A CB 1.561 20.640 19.000 0.132 0.000 1.281 362 A HN 1.717 nan 8.150 nan 0.000 0.402 363 G N 1.266 110.119 108.800 0.088 0.000 2.364 363 G HA2 0.496 4.254 3.960 -0.338 0.000 0.267 363 G HA3 0.496 4.254 3.960 -0.338 0.000 0.267 363 G C -0.292 174.655 174.900 0.079 0.000 1.233 363 G CA -0.115 45.033 45.100 0.080 0.000 0.885 363 G HN 0.480 nan 8.290 nan 0.000 0.490 364 I N 3.159 123.768 120.570 0.065 0.000 2.362 364 I HA 0.376 4.343 4.170 -0.338 0.000 0.289 364 I C 0.509 176.667 176.117 0.068 0.000 0.994 364 I CA -0.872 60.461 61.300 0.056 0.000 1.158 364 I CB 0.803 38.815 38.000 0.020 0.000 1.315 364 I HN 0.338 nan 8.210 nan 0.000 0.451 365 V N 4.652 124.619 119.914 0.088 0.000 3.155 365 V HA 0.604 4.522 4.120 -0.338 0.000 0.313 365 V C -2.305 173.848 176.094 0.098 0.000 1.162 365 V CA -1.879 60.495 62.300 0.123 0.000 1.048 365 V CB 1.508 33.457 31.823 0.210 0.000 1.092 365 V HN 0.330 nan 8.190 nan 0.000 0.447 366 P HA -0.114 nan 4.420 nan 0.000 0.216 366 P C 1.167 178.491 177.300 0.040 0.000 1.150 366 P CA 2.528 65.661 63.100 0.055 0.000 0.843 366 P CB 0.049 31.773 31.700 0.040 0.000 0.787 367 A N -1.518 121.332 122.820 0.049 0.000 2.251 367 A HA 0.118 4.236 4.320 -0.338 0.000 0.209 367 A C 0.992 178.605 177.584 0.049 0.000 1.187 367 A CA 0.164 52.223 52.037 0.038 0.000 0.823 367 A CB -0.837 18.180 19.000 0.029 0.000 0.846 367 A HN 0.085 nan 8.150 nan 0.000 0.486 368 S N 0.654 116.389 115.700 0.057 0.000 2.552 368 S HA 0.203 4.471 4.470 -0.338 0.000 0.289 368 S C 0.518 175.147 174.600 0.048 0.000 1.304 368 S CA 0.027 58.262 58.200 0.059 0.000 1.063 368 S CB 0.724 63.957 63.200 0.056 0.000 0.848 368 S HN 0.455 nan 8.310 nan 0.000 0.499 369 S N 3.456 119.192 115.700 0.060 0.000 2.475 369 S HA 0.340 4.608 4.470 -0.338 0.000 0.281 369 S C -1.756 172.890 174.600 0.077 0.000 1.198 369 S CA -1.897 56.339 58.200 0.060 0.000 1.063 369 S CB 0.723 63.963 63.200 0.067 0.000 0.972 369 S HN 0.326 nan 8.310 nan 0.000 0.486 370 P HA -0.088 nan 4.420 nan 0.000 0.215 370 P C 1.583 178.985 177.300 0.169 0.000 1.157 370 P CA 0.441 63.585 63.100 0.075 0.000 0.868 370 P CB 0.056 31.770 31.700 0.023 0.000 0.788 371 L N -0.041 121.264 121.223 0.137 0.000 2.042 371 L HA -0.049 4.088 4.340 -0.338 0.000 0.210 371 L C 2.264 179.274 176.870 0.234 0.000 1.076 371 L CA 2.446 57.395 54.840 0.183 0.000 0.749 371 L CB -1.685 40.439 42.059 0.109 0.000 0.893 371 L HN -0.033 nan 8.230 nan 0.000 0.432 372 G N -1.296 107.604 108.800 0.166 0.000 2.432 372 G HA2 -0.202 3.555 3.960 -0.338 0.000 0.219 372 G HA3 -0.202 3.555 3.960 -0.338 0.000 0.219 372 G C 1.401 176.403 174.900 0.169 0.000 1.135 372 G CA 0.643 45.831 45.100 0.147 0.000 0.767 372 G HN 0.448 nan 8.290 nan 0.000 0.550 373 E N -0.173 120.156 120.200 0.215 0.000 2.112 373 E HA -0.071 4.077 4.350 -0.338 0.000 0.190 373 E C 1.997 178.821 176.600 0.374 0.000 0.979 373 E CA 0.200 56.759 56.400 0.265 0.000 0.814 373 E CB -0.468 29.389 29.700 0.262 0.000 0.762 373 E HN 0.691 nan 8.360 nan 0.000 0.460 374 W N 2.503 123.976 121.300 0.290 0.000 2.335 374 W HA -0.224 4.237 4.660 -0.332 0.000 0.311 374 W C 1.797 178.339 176.519 0.038 0.000 1.213 374 W CA 1.581 59.036 57.345 0.185 0.000 1.274 374 W CB -0.142 29.432 29.460 0.189 0.000 1.148 374 W HN 0.028 nan 8.180 nan 0.000 0.498 375 R N 0.011 120.578 120.500 0.113 0.000 2.092 375 R HA -0.163 3.974 4.340 -0.338 0.000 0.231 375 R C 2.290 178.544 176.300 -0.077 0.000 1.119 375 R CA 1.688 57.780 56.100 -0.014 0.000 0.970 375 R CB -0.719 29.642 30.300 0.102 0.000 0.864 375 R HN 0.281 nan 8.270 nan 0.000 0.440 376 E N 0.489 120.684 120.200 -0.009 0.000 2.051 376 E HA -0.174 3.974 4.350 -0.338 0.000 0.192 376 E C 1.673 178.220 176.600 -0.089 0.000 0.991 376 E CA 1.907 58.301 56.400 -0.008 0.000 0.799 376 E CB 0.096 29.831 29.700 0.058 0.000 0.748 376 E HN 0.394 nan 8.360 nan 0.000 0.449 377 T N -2.248 112.207 114.554 -0.165 0.000 2.915 377 T HA -0.020 4.127 4.350 -0.338 0.000 0.269 377 T C 1.931 176.394 174.700 -0.395 0.000 1.071 377 T CA 0.881 62.802 62.100 -0.298 0.000 1.132 377 T CB -0.585 68.027 68.868 -0.426 0.000 0.878 377 T HN 0.243 nan 8.240 nan 0.000 0.479 378 G N 1.456 109.979 108.800 -0.462 0.000 2.446 378 G HA2 -0.153 3.605 3.960 -0.338 0.000 0.217 378 G HA3 -0.153 3.605 3.960 -0.338 0.000 0.217 378 G C 1.611 176.368 174.900 -0.240 0.000 1.168 378 G CA 1.011 45.857 45.100 -0.423 0.000 0.771 378 G HN 0.498 nan 8.290 nan 0.000 0.551 379 V N 0.608 120.425 119.914 -0.161 0.000 2.515 379 V HA -0.136 3.782 4.120 -0.338 0.000 0.250 379 V C 2.720 178.760 176.094 -0.091 0.000 1.058 379 V CA 2.102 64.343 62.300 -0.099 0.000 1.064 379 V CB -0.417 31.375 31.823 -0.053 0.000 0.675 379 V HN 0.337 nan 8.190 nan 0.000 0.461 380 K N 0.120 120.460 120.400 -0.101 0.000 2.026 380 K HA -0.090 4.027 4.320 -0.338 0.000 0.208 380 K C 2.087 178.623 176.600 -0.107 0.000 1.048 380 K CA 1.360 57.602 56.287 -0.076 0.000 0.929 380 K CB -0.374 32.071 32.500 -0.091 0.000 0.713 380 K HN 0.326 nan 8.250 nan 0.000 0.439 381 L N 1.327 122.443 121.223 -0.179 0.000 2.187 381 L HA -0.221 3.916 4.340 -0.338 0.000 0.213 381 L C 2.549 179.347 176.870 -0.120 0.000 1.100 381 L CA 1.327 56.059 54.840 -0.180 0.000 0.765 381 L CB -0.643 41.259 42.059 -0.262 0.000 0.904 381 L HN 0.299 nan 8.230 nan 0.000 0.437 382 S N -1.867 113.766 115.700 -0.111 0.000 2.423 382 S HA -0.185 4.082 4.470 -0.338 0.000 0.231 382 S C 1.948 176.510 174.600 -0.063 0.000 1.014 382 S CA 1.457 59.604 58.200 -0.088 0.000 0.965 382 S CB -0.616 62.529 63.200 -0.091 0.000 0.785 382 S HN 0.344 nan 8.310 nan 0.000 0.495 383 T N 1.848 116.371 114.554 -0.051 0.000 2.653 383 T HA -0.079 4.069 4.350 -0.338 0.000 0.268 383 T C 1.672 176.363 174.700 -0.016 0.000 1.035 383 T CA 2.020 64.099 62.100 -0.034 0.000 1.154 383 T CB -0.370 68.489 68.868 -0.015 0.000 0.862 383 T HN 0.308 nan 8.240 nan 0.000 0.441 384 M N -0.025 119.578 119.600 0.006 0.000 2.435 384 M HA 0.330 4.607 4.480 -0.338 0.000 0.265 384 M C 1.829 178.228 176.300 0.165 0.000 1.104 384 M CA 0.718 56.064 55.300 0.075 0.000 1.140 384 M CB -0.576 32.070 32.600 0.077 0.000 1.372 384 M HN 0.173 nan 8.290 nan 0.000 0.456 385 L N -0.332 120.926 121.223 0.059 0.000 2.056 385 L HA -0.218 3.919 4.340 -0.338 0.000 0.207 385 L C 1.928 178.837 176.870 0.066 0.000 1.078 385 L CA 0.818 55.692 54.840 0.057 0.000 0.749 385 L CB -0.843 41.194 42.059 -0.037 0.000 0.901 385 L HN 0.262 nan 8.230 nan 0.000 0.433 386 N N -0.209 118.488 118.700 -0.006 0.000 2.205 386 N HA -0.148 4.390 4.740 -0.338 0.000 0.186 386 N C 1.837 177.334 175.510 -0.021 0.000 1.015 386 N CA 1.073 54.096 53.050 -0.044 0.000 0.862 386 N CB -0.379 38.066 38.487 -0.069 0.000 0.986 386 N HN 0.108 nan 8.380 nan 0.000 0.429 387 V N -0.006 119.905 119.914 -0.005 0.000 2.427 387 V HA -0.147 3.770 4.120 -0.338 0.000 0.248 387 V C 1.359 177.354 176.094 -0.164 0.000 1.051 387 V CA 1.239 63.477 62.300 -0.104 0.000 1.048 387 V CB -0.525 31.198 31.823 -0.167 0.000 0.666 387 V HN 0.175 nan 8.190 nan 0.000 0.456 388 F N 0.242 120.166 119.950 -0.044 0.000 2.797 388 F HA 0.389 4.861 4.527 -0.090 0.000 0.302 388 F C 1.867 177.654 175.800 -0.021 0.000 1.130 388 F CA 0.742 58.726 58.000 -0.027 0.000 1.387 388 F CB -0.041 38.945 39.000 -0.024 0.000 1.107 388 F HN 0.265 nan 8.300 nan 0.000 0.577 389 G N 0.837 109.700 108.800 0.105 0.000 2.162 389 G HA2 -0.305 3.452 3.960 -0.338 0.000 0.260 389 G HA3 -0.305 3.452 3.960 -0.338 0.000 0.260 389 G C 0.240 175.182 174.900 0.070 0.000 0.976 389 G CA 0.125 45.258 45.100 0.055 0.000 0.655 389 G HN 0.279 nan 8.290 nan 0.000 0.533 390 L N 0.123 121.395 121.223 0.082 0.000 2.439 390 L HA 0.630 4.768 4.340 -0.338 0.000 0.259 390 L C 1.154 178.024 176.870 -0.001 0.000 1.129 390 L CA -1.180 53.718 54.840 0.096 0.000 0.803 390 L CB 0.682 42.777 42.059 0.060 0.000 1.161 390 L HN 0.160 nan 8.230 nan 0.000 0.462 391 H N 0.000 119.068 119.070 -0.003 0.000 2.539 391 H HA 0.000 4.356 4.556 -0.334 0.000 0.296 391 H CA 0.000 56.041 56.048 -0.011 0.000 1.023 391 H CB 0.000 29.759 29.762 -0.005 0.000 1.292 391 H HN 0.000 nan 8.280 nan 0.000 0.496