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 1t9g_1_A DATA FIRST_RESID 10 DATA SEQUENCE LGFSFEFTEQ QKEFQATARK FAREEIIPVA AEYDKTGEYP VPLIRRAWEL DATA SEQUENCE GLMNTHIPEN CGGLGLGTFD ACLISEELAY GCTGVQTAIE GNSLGQMPII DATA SEQUENCE IAGNDQQKKK YLGRMTEEPL MCAYCVTEPG AGSDVAGIKT KAEKKGDEYI DATA SEQUENCE INGQKMWITN GGKANWYFLL ARSDPDPKAP ANKAFTGFIV EADTPGIQIG DATA SEQUENCE RKELNMGQRC SDTRGIVFED VKVPKENVLI GDGAGFKVAM GAFDKTRPVV DATA SEQUENCE AAGAVGLAQR ALDEATKYAL ERKTFGKLLV EHQAISFMLA EMAMKVELAR DATA SEQUENCE MSYQRAAWEV DSGRRNTYYA SIAKAFAGDI ANQLATDAVQ ILGGNGFNTE DATA SEQUENCE YPVEKLMRDA KIYQIYEGTS QIQRLIVARE HIDKYK 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 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.887 176.870 0.029 0.000 1.165 10 L CA 0.000 54.859 54.840 0.031 0.000 0.813 10 L CB 0.000 42.090 42.059 0.051 0.000 0.961 11 G N 0.403 109.234 108.800 0.051 0.000 2.697 11 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.686 11 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.686 11 G C -0.990 173.963 174.900 0.088 0.000 1.179 11 G CA -0.503 44.639 45.100 0.070 0.000 0.765 11 G HN 0.143 nan 8.290 nan 0.000 0.649 12 F N 0.869 120.713 119.950 -0.176 0.000 2.553 12 F HA 0.564 5.091 4.527 -0.001 0.000 0.356 12 F C 1.209 176.794 175.800 -0.359 0.000 1.142 12 F CA 0.791 58.593 58.000 -0.329 0.000 1.322 12 F CB 1.706 40.518 39.000 -0.314 0.000 1.126 12 F HN 0.729 nan 8.300 nan 0.000 0.599 13 S N 3.175 118.593 115.700 -0.471 0.000 2.546 13 S HA 0.558 5.028 4.470 -0.001 0.000 0.272 13 S C -0.682 173.504 174.600 -0.690 0.000 1.140 13 S CA -0.574 57.381 58.200 -0.408 0.000 0.920 13 S CB 0.379 63.438 63.200 -0.235 0.000 1.083 13 S HN 0.380 nan 8.310 nan 0.000 0.476 14 F N 1.792 121.679 119.950 -0.104 0.000 2.855 14 F HA 0.444 4.970 4.527 -0.001 0.000 0.317 14 F C 0.696 176.390 175.800 -0.178 0.000 1.169 14 F CA -0.420 57.500 58.000 -0.133 0.000 1.299 14 F CB 0.727 39.659 39.000 -0.113 0.000 0.962 14 F HN 0.525 nan 8.300 nan 0.000 0.506 15 E N 0.805 120.980 120.200 -0.042 0.000 2.158 15 E HA 0.337 4.686 4.350 -0.001 0.000 0.271 15 E C -0.415 176.186 176.600 0.002 0.000 0.911 15 E CA -0.887 55.468 56.400 -0.076 0.000 0.767 15 E CB 1.198 30.882 29.700 -0.027 0.000 1.120 15 E HN -0.089 nan 8.360 nan 0.000 0.405 16 F N 1.239 121.233 119.950 0.073 0.000 2.586 16 F HA 0.020 4.546 4.527 -0.001 0.000 0.335 16 F C 1.449 177.257 175.800 0.013 0.000 1.210 16 F CA 0.032 58.075 58.000 0.071 0.000 1.359 16 F CB 0.167 39.245 39.000 0.129 0.000 1.142 16 F HN 0.263 nan 8.300 nan 0.000 0.606 17 T N 1.422 116.114 114.554 0.230 0.000 2.899 17 T HA 0.057 4.407 4.350 -0.001 0.000 0.295 17 T C 1.238 175.977 174.700 0.065 0.000 1.033 17 T CA -0.550 61.604 62.100 0.090 0.000 1.084 17 T CB 0.748 69.640 68.868 0.040 0.000 0.979 17 T HN 0.443 nan 8.240 nan 0.000 0.532 18 E N 1.863 122.073 120.200 0.017 0.000 2.070 18 E HA -0.197 4.152 4.350 -0.001 0.000 0.197 18 E C 2.042 178.590 176.600 -0.088 0.000 1.004 18 E CA 1.472 57.863 56.400 -0.016 0.000 0.805 18 E CB -0.282 29.403 29.700 -0.024 0.000 0.744 18 E HN 0.790 nan 8.360 nan 0.000 0.451 19 Q N 0.698 120.417 119.800 -0.134 0.000 2.096 19 Q HA -0.235 4.104 4.340 -0.001 0.000 0.204 19 Q C 2.186 177.899 176.000 -0.478 0.000 0.982 19 Q CA 1.960 57.578 55.803 -0.308 0.000 0.850 19 Q CB -0.086 28.500 28.738 -0.253 0.000 0.901 19 Q HN 0.288 nan 8.270 nan 0.000 0.422 20 Q N 0.118 119.799 119.800 -0.198 0.000 2.061 20 Q HA -0.186 4.153 4.340 -0.001 0.000 0.204 20 Q C 2.055 177.978 176.000 -0.129 0.000 0.984 20 Q CA 1.885 57.639 55.803 -0.083 0.000 0.846 20 Q CB 0.022 28.757 28.738 -0.004 0.000 0.902 20 Q HN 0.329 nan 8.270 nan 0.000 0.421 21 K N 0.367 120.742 120.400 -0.041 0.000 2.160 21 K HA -0.223 4.096 4.320 -0.001 0.000 0.206 21 K C 1.915 178.479 176.600 -0.060 0.000 1.047 21 K CA 1.345 57.646 56.287 0.023 0.000 0.930 21 K CB -0.033 32.524 32.500 0.094 0.000 0.720 21 K HN 0.243 nan 8.250 nan 0.000 0.450 22 E N 0.005 120.091 120.200 -0.190 0.000 2.051 22 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 22 E C 1.754 178.270 176.600 -0.141 0.000 0.991 22 E CA 1.233 57.508 56.400 -0.207 0.000 0.799 22 E CB -0.098 29.398 29.700 -0.340 0.000 0.748 22 E HN 0.272 nan 8.360 nan 0.000 0.449 23 F N 0.931 120.851 119.950 -0.049 0.000 2.126 23 F HA -0.283 4.243 4.527 -0.001 0.000 0.299 23 F C 2.777 178.541 175.800 -0.061 0.000 1.096 23 F CA 1.194 59.154 58.000 -0.067 0.000 1.255 23 F CB -0.203 38.742 39.000 -0.092 0.000 0.997 23 F HN 0.130 nan 8.300 nan 0.000 0.479 24 Q N 0.884 120.746 119.800 0.103 0.000 2.046 24 Q HA -0.178 4.161 4.340 -0.001 0.000 0.200 24 Q C 2.382 178.419 176.000 0.062 0.000 0.975 24 Q CA 1.387 57.223 55.803 0.055 0.000 0.836 24 Q CB -0.259 28.492 28.738 0.021 0.000 0.896 24 Q HN 0.363 nan 8.270 nan 0.000 0.428 25 A N 0.464 123.313 122.820 0.049 0.000 1.873 25 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 25 A C 2.292 179.911 177.584 0.059 0.000 1.193 25 A CA 2.200 54.262 52.037 0.043 0.000 0.629 25 A CB -1.352 17.663 19.000 0.024 0.000 0.826 25 A HN 0.540 nan 8.150 nan 0.000 0.447 26 T N 0.271 114.866 114.554 0.067 0.000 2.665 26 T HA -0.145 4.205 4.350 -0.001 0.000 0.268 26 T C 2.172 176.941 174.700 0.115 0.000 1.035 26 T CA 2.106 64.256 62.100 0.082 0.000 1.151 26 T CB -0.529 68.390 68.868 0.085 0.000 0.862 26 T HN 0.652 nan 8.240 nan 0.000 0.438 27 A N 1.193 124.078 122.820 0.108 0.000 1.898 27 A HA -0.031 4.288 4.320 -0.001 0.000 0.216 27 A C 2.283 179.953 177.584 0.143 0.000 1.181 27 A CA 1.750 53.865 52.037 0.129 0.000 0.620 27 A CB -0.565 18.483 19.000 0.081 0.000 0.819 27 A HN 0.443 nan 8.150 nan 0.000 0.442 28 R N -0.128 120.421 120.500 0.081 0.000 2.073 28 R HA -0.156 4.183 4.340 -0.001 0.000 0.234 28 R C 2.269 178.604 176.300 0.058 0.000 1.134 28 R CA 1.945 58.066 56.100 0.036 0.000 0.952 28 R CB -0.299 29.996 30.300 -0.008 0.000 0.850 28 R HN 0.485 nan 8.270 nan 0.000 0.433 29 K N -0.497 119.950 120.400 0.079 0.000 2.044 29 K HA -0.217 4.102 4.320 -0.001 0.000 0.210 29 K C 1.956 178.631 176.600 0.125 0.000 1.049 29 K CA 1.869 58.208 56.287 0.087 0.000 0.927 29 K CB -0.291 32.262 32.500 0.089 0.000 0.713 29 K HN 0.166 nan 8.250 nan 0.000 0.443 30 F N 0.949 120.913 119.950 0.024 0.000 2.134 30 F HA -0.139 4.388 4.527 -0.001 0.000 0.299 30 F C 1.961 177.782 175.800 0.035 0.000 1.097 30 F CA 1.465 59.481 58.000 0.027 0.000 1.264 30 F CB -0.396 38.617 39.000 0.022 0.000 1.001 30 F HN 0.038 nan 8.300 nan 0.000 0.479 31 A N 0.498 123.306 122.820 -0.020 0.000 1.929 31 A HA -0.076 4.244 4.320 -0.001 0.000 0.216 31 A C 2.343 179.887 177.584 -0.067 0.000 1.176 31 A CA 1.336 53.321 52.037 -0.087 0.000 0.628 31 A CB -0.497 18.558 19.000 0.091 0.000 0.816 31 A HN 0.440 nan 8.150 nan 0.000 0.444 32 R N -0.523 119.974 120.500 -0.006 0.000 2.080 32 R HA 0.021 4.361 4.340 -0.001 0.000 0.222 32 R C 1.767 178.061 176.300 -0.010 0.000 1.107 32 R CA 1.250 57.365 56.100 0.027 0.000 0.980 32 R CB -0.174 30.153 30.300 0.045 0.000 0.879 32 R HN 0.600 nan 8.270 nan 0.000 0.439 33 E N 0.065 120.246 120.200 -0.031 0.000 2.318 33 E HA -0.061 4.288 4.350 -0.001 0.000 0.193 33 E C 1.159 177.716 176.600 -0.072 0.000 0.998 33 E CA 0.655 57.038 56.400 -0.028 0.000 0.859 33 E CB 0.430 30.133 29.700 0.005 0.000 0.812 33 E HN 0.373 nan 8.360 nan 0.000 0.492 34 E N -0.349 119.743 120.200 -0.180 0.000 2.441 34 E HA 0.128 4.477 4.350 -0.001 0.000 0.207 34 E C 1.986 178.408 176.600 -0.297 0.000 0.803 34 E CA -0.061 56.192 56.400 -0.245 0.000 1.240 34 E CB 0.500 29.989 29.700 -0.351 0.000 1.233 34 E HN 0.083 nan 8.360 nan 0.000 0.590 35 I N 1.493 121.819 120.570 -0.407 0.000 2.235 35 I HA -0.165 4.004 4.170 -0.001 0.000 0.241 35 I C 2.432 178.485 176.117 -0.105 0.000 1.085 35 I CA 0.947 62.089 61.300 -0.264 0.000 1.378 35 I CB -0.159 37.683 38.000 -0.263 0.000 1.076 35 I HN 0.061 nan 8.210 nan 0.000 0.415 36 I N 1.298 121.825 120.570 -0.072 0.000 2.151 36 I HA -0.227 3.943 4.170 -0.001 0.000 0.243 36 I C -0.330 175.777 176.117 -0.018 0.000 1.080 36 I CA 1.835 63.120 61.300 -0.025 0.000 1.339 36 I CB -1.699 36.306 38.000 0.008 0.000 1.039 36 I HN 0.173 nan 8.210 nan 0.000 0.409 37 P HA -0.135 nan 4.420 nan 0.000 0.220 37 P C 1.530 178.833 177.300 0.004 0.000 1.148 37 P CA 1.241 64.334 63.100 -0.011 0.000 0.803 37 P CB -0.018 31.674 31.700 -0.014 0.000 0.782 38 V N -5.048 114.885 119.914 0.031 0.000 3.661 38 V HA 0.363 4.483 4.120 -0.001 0.000 0.271 38 V C 2.036 178.222 176.094 0.153 0.000 1.315 38 V CA 0.719 63.074 62.300 0.091 0.000 1.072 38 V CB -1.171 30.771 31.823 0.198 0.000 0.830 38 V HN -0.042 nan 8.190 nan 0.000 0.443 39 A N 1.554 124.434 122.820 0.100 0.000 1.908 39 A HA -0.045 4.275 4.320 -0.001 0.000 0.218 39 A C 2.531 180.163 177.584 0.081 0.000 1.181 39 A CA 2.628 54.726 52.037 0.102 0.000 0.627 39 A CB -1.121 17.893 19.000 0.023 0.000 0.818 39 A HN 1.046 nan 8.150 nan 0.000 0.445 40 A N -0.561 122.276 122.820 0.028 0.000 1.927 40 A HA -0.267 4.052 4.320 -0.001 0.000 0.220 40 A C 2.037 179.622 177.584 0.001 0.000 1.185 40 A CA 1.964 54.001 52.037 0.001 0.000 0.639 40 A CB -0.549 18.436 19.000 -0.027 0.000 0.820 40 A HN 0.609 nan 8.150 nan 0.000 0.451 41 E N -1.486 118.707 120.200 -0.011 0.000 2.047 41 E HA -0.170 4.180 4.350 -0.001 0.000 0.191 41 E C 1.911 178.459 176.600 -0.088 0.000 0.987 41 E CA 1.250 57.603 56.400 -0.079 0.000 0.799 41 E CB -0.325 29.284 29.700 -0.152 0.000 0.752 41 E HN 0.763 nan 8.360 nan 0.000 0.449 42 Y N 1.330 121.616 120.300 -0.023 0.000 2.193 42 Y HA -0.249 4.301 4.550 -0.001 0.000 0.285 42 Y C 2.207 178.100 175.900 -0.013 0.000 1.166 42 Y CA 1.842 59.932 58.100 -0.017 0.000 1.181 42 Y CB -0.359 38.087 38.460 -0.025 0.000 0.976 42 Y HN 0.153 nan 8.280 nan 0.000 0.520 43 D N -0.716 119.758 120.400 0.124 0.000 2.117 43 D HA -0.141 4.498 4.640 -0.001 0.000 0.198 43 D C 2.256 178.572 176.300 0.027 0.000 0.982 43 D CA 1.433 55.470 54.000 0.061 0.000 0.828 43 D CB 0.138 40.955 40.800 0.029 0.000 0.967 43 D HN -0.046 nan 8.370 nan 0.000 0.464 44 K N -1.074 119.328 120.400 0.003 0.000 2.025 44 K HA -0.070 4.250 4.320 -0.001 0.000 0.207 44 K C 2.479 179.071 176.600 -0.014 0.000 1.049 44 K CA 1.713 57.989 56.287 -0.018 0.000 0.933 44 K CB -1.132 31.345 32.500 -0.038 0.000 0.714 44 K HN 0.633 nan 8.250 nan 0.000 0.438 45 T N -3.939 110.604 114.554 -0.019 0.000 3.051 45 T HA 0.229 4.578 4.350 -0.001 0.000 0.255 45 T C 1.654 176.371 174.700 0.029 0.000 1.085 45 T CA 0.867 62.957 62.100 -0.017 0.000 1.109 45 T CB 0.239 69.068 68.868 -0.066 0.000 0.921 45 T HN 0.578 nan 8.240 nan 0.000 0.488 46 G N 2.574 111.415 108.800 0.069 0.000 2.168 46 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.257 46 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.257 46 G C -0.185 174.805 174.900 0.150 0.000 0.997 46 G CA 0.369 45.531 45.100 0.104 0.000 0.708 46 G HN 0.996 nan 8.290 nan 0.000 0.520 47 E N -0.634 119.677 120.200 0.186 0.000 2.319 47 E HA 0.492 4.841 4.350 -0.001 0.000 0.268 47 E C -0.096 176.713 176.600 0.349 0.000 1.050 47 E CA -1.280 55.261 56.400 0.234 0.000 0.878 47 E CB 1.201 31.001 29.700 0.167 0.000 1.066 47 E HN 0.227 nan 8.360 nan 0.000 0.406 48 Y N 3.639 124.028 120.300 0.149 0.000 2.729 48 Y HA 0.022 4.571 4.550 -0.001 0.000 0.331 48 Y C -1.711 174.241 175.900 0.087 0.000 1.208 48 Y CA -1.961 56.192 58.100 0.089 0.000 1.521 48 Y CB 0.632 39.125 38.460 0.054 0.000 1.233 48 Y HN 0.403 nan 8.280 nan 0.000 0.539 49 P HA 0.012 nan 4.420 nan 0.000 0.220 49 P C 0.720 177.816 177.300 -0.340 0.000 1.806 49 P CA 0.266 63.003 63.100 -0.605 0.000 0.976 49 P CB 0.139 31.256 31.700 -0.971 0.000 1.952 50 V N 3.010 122.869 119.914 -0.091 0.000 2.287 50 V HA -0.168 3.952 4.120 -0.001 0.000 0.248 50 V C 0.031 176.130 176.094 0.008 0.000 1.053 50 V CA 2.436 64.736 62.300 0.000 0.000 1.027 50 V CB -2.126 29.773 31.823 0.127 0.000 0.646 50 V HN 0.359 nan 8.190 nan 0.000 0.447 51 P HA -0.142 nan 4.420 nan 0.000 0.216 51 P C 1.877 179.236 177.300 0.099 0.000 1.153 51 P CA 1.544 64.692 63.100 0.080 0.000 0.848 51 P CB -0.062 31.706 31.700 0.113 0.000 0.787 52 L N -1.217 120.047 121.223 0.068 0.000 2.156 52 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 52 L C 2.784 179.780 176.870 0.210 0.000 1.095 52 L CA 0.925 55.883 54.840 0.197 0.000 0.770 52 L CB -0.749 41.346 42.059 0.061 0.000 0.914 52 L HN -0.146 nan 8.230 nan 0.000 0.439 53 I N 0.216 120.807 120.570 0.035 0.000 2.099 53 I HA -0.351 3.818 4.170 -0.001 0.000 0.239 53 I C 3.352 179.514 176.117 0.075 0.000 1.066 53 I CA 1.687 62.997 61.300 0.017 0.000 1.324 53 I CB -0.772 37.188 38.000 -0.067 0.000 1.037 53 I HN 0.249 nan 8.210 nan 0.000 0.401 54 R N 1.000 121.543 120.500 0.071 0.000 2.133 54 R HA -0.247 4.092 4.340 -0.001 0.000 0.247 54 R C 2.184 178.615 176.300 0.219 0.000 1.151 54 R CA 2.302 58.474 56.100 0.119 0.000 0.971 54 R CB -1.524 28.817 30.300 0.067 0.000 0.866 54 R HN 0.401 nan 8.270 nan 0.000 0.447 55 R N -0.529 120.054 120.500 0.139 0.000 2.062 55 R HA 0.193 4.532 4.340 -0.001 0.000 0.226 55 R C 2.658 178.850 176.300 -0.180 0.000 1.125 55 R CA 1.534 57.681 56.100 0.079 0.000 0.966 55 R CB -0.583 29.858 30.300 0.234 0.000 0.861 55 R HN 0.466 nan 8.270 nan 0.000 0.433 56 A N 0.099 122.720 122.820 -0.331 0.000 1.873 56 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 56 A C 2.081 179.547 177.584 -0.197 0.000 1.193 56 A CA 1.647 53.372 52.037 -0.519 0.000 0.629 56 A CB -1.384 17.442 19.000 -0.290 0.000 0.826 56 A HN 0.715 nan 8.150 nan 0.000 0.447 57 W N 0.689 121.879 121.300 -0.183 0.000 2.318 57 W HA -0.236 4.423 4.660 -0.001 0.000 0.313 57 W C 2.066 178.525 176.519 -0.101 0.000 1.221 57 W CA 2.234 59.512 57.345 -0.112 0.000 1.266 57 W CB -0.267 29.157 29.460 -0.060 0.000 1.150 57 W HN 0.502 nan 8.180 nan 0.000 0.496 58 E N -0.572 119.630 120.200 0.004 0.000 2.085 58 E HA -0.245 4.104 4.350 -0.001 0.000 0.194 58 E C 1.854 178.292 176.600 -0.269 0.000 0.994 58 E CA 1.385 57.673 56.400 -0.188 0.000 0.801 58 E CB -0.497 29.219 29.700 0.027 0.000 0.743 58 E HN 0.100 nan 8.360 nan 0.000 0.453 59 L N -0.631 120.454 121.223 -0.230 0.000 2.599 59 L HA 0.151 4.490 4.340 -0.001 0.000 0.230 59 L C 1.301 178.049 176.870 -0.204 0.000 1.141 59 L CA 1.293 56.012 54.840 -0.200 0.000 0.877 59 L CB -0.192 41.708 42.059 -0.266 0.000 1.009 59 L HN 0.282 nan 8.230 nan 0.000 0.447 60 G N -0.980 107.652 108.800 -0.280 0.000 2.148 60 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.254 60 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.254 60 G C 0.623 175.372 174.900 -0.251 0.000 0.981 60 G CA 0.395 45.338 45.100 -0.262 0.000 0.670 60 G HN 0.207 nan 8.290 nan 0.000 0.528 61 L N -0.303 120.775 121.223 -0.240 0.000 2.688 61 L HA 0.679 5.018 4.340 -0.001 0.000 0.234 61 L C 0.913 177.686 176.870 -0.161 0.000 1.192 61 L CA 0.666 55.376 54.840 -0.216 0.000 0.984 61 L CB -0.466 41.455 42.059 -0.231 0.000 1.232 61 L HN 0.629 nan 8.230 nan 0.000 0.465 62 M N -1.205 118.315 119.600 -0.133 0.000 2.716 62 M HA 0.281 4.761 4.480 -0.001 0.000 0.278 62 M C -0.427 175.865 176.300 -0.014 0.000 1.281 62 M CA -0.481 54.799 55.300 -0.034 0.000 0.814 62 M CB 1.567 34.208 32.600 0.068 0.000 1.719 62 M HN 0.077 nan 8.290 nan 0.000 0.457 63 N N 0.223 118.957 118.700 0.056 0.000 2.693 63 N HA -0.233 4.507 4.740 -0.001 0.000 0.255 63 N C 0.595 176.112 175.510 0.012 0.000 0.975 63 N CA 0.965 54.061 53.050 0.076 0.000 0.792 63 N CB -1.257 37.314 38.487 0.140 0.000 0.931 63 N HN 0.828 nan 8.380 nan 0.000 0.541 64 T N -4.994 109.514 114.554 -0.076 0.000 2.977 64 T HA -0.182 4.167 4.350 -0.001 0.000 0.271 64 T C 1.192 175.763 174.700 -0.215 0.000 1.105 64 T CA 1.275 63.252 62.100 -0.204 0.000 1.116 64 T CB -0.178 68.484 68.868 -0.345 0.000 0.878 64 T HN 0.528 nan 8.240 nan 0.000 0.509 65 H N 0.288 119.336 119.070 -0.037 0.000 2.548 65 H HA 0.407 4.962 4.556 -0.001 0.000 0.268 65 H C 0.565 175.892 175.328 -0.002 0.000 0.975 65 H CA -0.168 55.868 56.048 -0.020 0.000 1.195 65 H CB -0.284 29.471 29.762 -0.011 0.000 1.397 65 H HN 0.397 nan 8.280 nan 0.000 0.572 66 I N 2.906 123.534 120.570 0.097 0.000 2.683 66 I HA 0.008 4.177 4.170 -0.001 0.000 0.286 66 I C -2.057 174.088 176.117 0.046 0.000 1.175 66 I CA -1.822 59.528 61.300 0.082 0.000 1.429 66 I CB 0.658 38.710 38.000 0.086 0.000 1.371 66 I HN -0.045 nan 8.210 nan 0.000 0.569 67 P HA 0.058 nan 4.420 nan 0.000 0.271 67 P C 0.733 178.044 177.300 0.018 0.000 1.218 67 P CA -0.178 62.938 63.100 0.028 0.000 0.780 67 P CB 0.710 32.427 31.700 0.028 0.000 0.901 68 E N 1.467 121.672 120.200 0.009 0.000 2.086 68 E HA -0.302 4.047 4.350 -0.001 0.000 0.205 68 E C 1.738 178.343 176.600 0.008 0.000 1.027 68 E CA 2.047 58.450 56.400 0.005 0.000 0.830 68 E CB -1.382 28.320 29.700 0.003 0.000 0.751 68 E HN 0.592 nan 8.360 nan 0.000 0.456 69 N N -0.361 118.345 118.700 0.009 0.000 2.225 69 N HA -0.207 4.532 4.740 -0.001 0.000 0.198 69 N C 1.600 177.117 175.510 0.012 0.000 0.959 69 N CA 2.011 55.067 53.050 0.010 0.000 0.915 69 N CB -0.842 37.652 38.487 0.011 0.000 1.072 69 N HN 0.440 nan 8.380 nan 0.000 0.620 70 C N -1.039 118.272 119.300 0.019 0.000 2.614 70 C HA 0.504 4.963 4.460 -0.001 0.000 0.299 70 C C 1.474 176.483 174.990 0.031 0.000 1.293 70 C CA -0.111 58.922 59.018 0.025 0.000 1.713 70 C CB -0.833 26.929 27.740 0.037 0.000 1.890 70 C HN 0.672 nan 8.230 nan 0.000 0.602 71 G N 0.805 109.618 108.800 0.021 0.000 2.136 71 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.242 71 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.242 71 G C 0.363 175.271 174.900 0.012 0.000 0.989 71 G CA 0.095 45.206 45.100 0.018 0.000 0.682 71 G HN 0.789 nan 8.290 nan 0.000 0.522 72 G N -1.135 107.673 108.800 0.013 0.000 2.557 72 G HA2 0.618 4.577 3.960 -0.001 0.000 0.292 72 G HA3 0.618 4.577 3.960 -0.001 0.000 0.292 72 G C 0.938 175.821 174.900 -0.028 0.000 1.237 72 G CA -0.412 44.687 45.100 -0.001 0.000 0.978 72 G HN 0.510 nan 8.290 nan 0.000 0.498 73 L N 0.547 121.736 121.223 -0.057 0.000 2.554 73 L HA 0.258 4.597 4.340 -0.001 0.000 0.226 73 L C 2.137 178.977 176.870 -0.050 0.000 1.137 73 L CA 0.959 55.760 54.840 -0.067 0.000 0.863 73 L CB -0.436 41.550 42.059 -0.122 0.000 0.985 73 L HN 0.874 nan 8.230 nan 0.000 0.451 74 G N 0.466 109.240 108.800 -0.043 0.000 2.249 74 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.273 74 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.273 74 G C 0.164 175.040 174.900 -0.040 0.000 1.036 74 G CA 0.262 45.348 45.100 -0.023 0.000 0.824 74 G HN 0.284 nan 8.290 nan 0.000 0.504 75 L N -0.343 120.816 121.223 -0.108 0.000 2.416 75 L HA 0.712 5.052 4.340 -0.001 0.000 0.262 75 L C 1.498 178.286 176.870 -0.137 0.000 1.093 75 L CA -0.554 54.206 54.840 -0.133 0.000 0.801 75 L CB 0.770 42.678 42.059 -0.252 0.000 1.191 75 L HN 0.211 nan 8.230 nan 0.000 0.459 76 G N -0.409 108.356 108.800 -0.058 0.000 2.621 76 G HA2 0.237 4.196 3.960 -0.001 0.000 0.271 76 G HA3 0.237 4.196 3.960 -0.001 0.000 0.271 76 G C 0.663 175.564 174.900 0.002 0.000 1.236 76 G CA -0.281 44.833 45.100 0.022 0.000 0.958 76 G HN 0.657 nan 8.290 nan 0.000 0.512 77 T N -0.018 114.648 114.554 0.187 0.000 2.867 77 T HA -0.111 4.238 4.350 -0.001 0.000 0.268 77 T C 1.900 176.709 174.700 0.182 0.000 1.057 77 T CA 1.105 63.357 62.100 0.254 0.000 1.136 77 T CB -0.266 68.752 68.868 0.252 0.000 0.874 77 T HN 0.353 nan 8.240 nan 0.000 0.466 78 F N 2.408 122.420 119.950 0.102 0.000 2.134 78 F HA -0.115 4.411 4.527 -0.001 0.000 0.299 78 F C 2.002 177.832 175.800 0.050 0.000 1.097 78 F CA 1.188 59.268 58.000 0.133 0.000 1.264 78 F CB -0.212 38.892 39.000 0.174 0.000 1.001 78 F HN 0.098 nan 8.300 nan 0.000 0.479 79 D N 0.281 120.824 120.400 0.238 0.000 2.097 79 D HA -0.172 4.467 4.640 -0.001 0.000 0.195 79 D C 2.391 178.609 176.300 -0.137 0.000 0.989 79 D CA 1.494 55.519 54.000 0.042 0.000 0.827 79 D CB -0.730 40.033 40.800 -0.061 0.000 0.966 79 D HN 0.359 nan 8.370 nan 0.000 0.456 80 A N 0.602 123.311 122.820 -0.185 0.000 1.978 80 A HA -0.201 4.118 4.320 -0.001 0.000 0.220 80 A C 2.541 180.033 177.584 -0.154 0.000 1.170 80 A CA 1.276 53.189 52.037 -0.205 0.000 0.636 80 A CB -0.880 18.010 19.000 -0.184 0.000 0.810 80 A HN 0.334 nan 8.150 nan 0.000 0.448 81 C N -1.270 117.935 119.300 -0.159 0.000 2.486 81 C HA 0.064 4.524 4.460 -0.001 0.000 0.279 81 C C 2.597 177.435 174.990 -0.253 0.000 1.302 81 C CA 0.775 59.626 59.018 -0.279 0.000 1.720 81 C CB -1.453 26.106 27.740 -0.301 0.000 2.030 81 C HN 0.643 nan 8.230 nan 0.000 0.490 82 L N 0.644 121.764 121.223 -0.172 0.000 2.013 82 L HA -0.210 4.129 4.340 -0.001 0.000 0.212 82 L C 2.293 179.113 176.870 -0.084 0.000 1.073 82 L CA 1.811 56.574 54.840 -0.127 0.000 0.753 82 L CB -0.577 41.363 42.059 -0.198 0.000 0.890 82 L HN 0.311 nan 8.230 nan 0.000 0.432 83 I N -0.961 119.548 120.570 -0.102 0.000 2.133 83 I HA -0.268 3.901 4.170 -0.001 0.000 0.238 83 I C 2.567 178.657 176.117 -0.046 0.000 1.074 83 I CA 1.476 62.734 61.300 -0.070 0.000 1.342 83 I CB -0.364 37.560 38.000 -0.127 0.000 1.053 83 I HN 0.168 nan 8.210 nan 0.000 0.404 84 S N 0.008 115.660 115.700 -0.081 0.000 2.402 84 S HA -0.264 4.206 4.470 -0.001 0.000 0.233 84 S C 1.896 176.466 174.600 -0.049 0.000 1.030 84 S CA 1.423 59.587 58.200 -0.061 0.000 1.003 84 S CB -0.454 62.686 63.200 -0.099 0.000 0.813 84 S HN 0.456 nan 8.310 nan 0.000 0.477 85 E N 0.883 121.033 120.200 -0.085 0.000 2.051 85 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 85 E C 1.981 178.621 176.600 0.067 0.000 0.991 85 E CA 1.014 57.407 56.400 -0.011 0.000 0.799 85 E CB 0.027 29.756 29.700 0.048 0.000 0.748 85 E HN 0.420 nan 8.360 nan 0.000 0.449 86 E N 0.619 120.850 120.200 0.052 0.000 2.051 86 E HA -0.179 4.171 4.350 -0.001 0.000 0.192 86 E C 2.368 179.043 176.600 0.125 0.000 0.991 86 E CA 0.724 57.165 56.400 0.067 0.000 0.799 86 E CB -0.361 29.368 29.700 0.048 0.000 0.748 86 E HN 0.369 nan 8.360 nan 0.000 0.449 87 L N 0.486 121.778 121.223 0.114 0.000 2.046 87 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 87 L C 2.564 179.509 176.870 0.125 0.000 1.077 87 L CA 1.179 56.103 54.840 0.140 0.000 0.747 87 L CB -0.630 41.506 42.059 0.128 0.000 0.896 87 L HN 0.063 nan 8.230 nan 0.000 0.432 88 A N -0.681 122.205 122.820 0.110 0.000 1.930 88 A HA -0.273 4.047 4.320 -0.001 0.000 0.217 88 A C 2.190 179.841 177.584 0.112 0.000 1.175 88 A CA 1.205 53.302 52.037 0.100 0.000 0.627 88 A CB -0.885 18.155 19.000 0.066 0.000 0.815 88 A HN 0.457 nan 8.150 nan 0.000 0.443 89 Y N 0.967 121.276 120.300 0.015 0.000 2.139 89 Y HA -0.249 4.300 4.550 -0.001 0.000 0.282 89 Y C 2.374 178.281 175.900 0.011 0.000 1.179 89 Y CA 1.720 59.829 58.100 0.015 0.000 1.161 89 Y CB -0.598 37.877 38.460 0.025 0.000 0.970 89 Y HN 0.250 nan 8.280 nan 0.000 0.511 90 G N -1.520 107.390 108.800 0.182 0.000 2.424 90 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.214 90 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.214 90 G C -0.283 174.616 174.900 -0.002 0.000 1.202 90 G CA 0.893 46.038 45.100 0.074 0.000 0.793 90 G HN 0.462 nan 8.290 nan 0.000 0.534 91 C N -0.437 118.874 119.300 0.019 0.000 3.178 91 C HA 0.470 4.929 4.460 -0.001 0.000 0.428 91 C C 1.369 176.386 174.990 0.045 0.000 0.967 91 C CA 0.126 59.151 59.018 0.012 0.000 1.205 91 C CB 0.676 28.408 27.740 -0.012 0.000 1.584 91 C HN 0.536 nan 8.230 nan 0.000 0.591 92 T N 1.548 116.147 114.554 0.074 0.000 3.067 92 T HA 0.132 4.481 4.350 -0.001 0.000 0.261 92 T C 1.722 176.476 174.700 0.091 0.000 1.110 92 T CA 1.446 63.629 62.100 0.138 0.000 1.113 92 T CB -0.055 68.982 68.868 0.281 0.000 0.917 92 T HN 1.167 nan 8.240 nan 0.000 0.499 93 G N 2.032 110.857 108.800 0.042 0.000 2.511 93 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.216 93 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.216 93 G C 1.553 176.449 174.900 -0.007 0.000 1.218 93 G CA 1.149 46.258 45.100 0.015 0.000 0.788 93 G HN 0.437 nan 8.290 nan 0.000 0.560 94 V N 0.890 120.776 119.914 -0.047 0.000 2.231 94 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 94 V C 2.846 178.934 176.094 -0.011 0.000 1.054 94 V CA 2.308 64.559 62.300 -0.082 0.000 1.015 94 V CB -0.678 31.091 31.823 -0.090 0.000 0.638 94 V HN 0.413 nan 8.190 nan 0.000 0.444 95 Q N 0.029 119.852 119.800 0.039 0.000 2.096 95 Q HA -0.239 4.100 4.340 -0.001 0.000 0.204 95 Q C 2.286 178.329 176.000 0.070 0.000 0.982 95 Q CA 2.685 58.528 55.803 0.066 0.000 0.850 95 Q CB -0.709 28.083 28.738 0.090 0.000 0.901 95 Q HN 0.662 nan 8.270 nan 0.000 0.422 96 T N 1.136 115.745 114.554 0.092 0.000 2.635 96 T HA -0.196 4.154 4.350 -0.001 0.000 0.267 96 T C 1.753 176.500 174.700 0.078 0.000 1.040 96 T CA 2.136 64.298 62.100 0.103 0.000 1.156 96 T CB -0.467 68.482 68.868 0.135 0.000 0.863 96 T HN 0.523 nan 8.240 nan 0.000 0.430 97 A N 0.663 123.519 122.820 0.060 0.000 1.877 97 A HA -0.045 4.274 4.320 -0.001 0.000 0.216 97 A C 2.267 179.885 177.584 0.057 0.000 1.186 97 A CA 1.421 53.503 52.037 0.076 0.000 0.620 97 A CB -0.845 18.154 19.000 -0.001 0.000 0.822 97 A HN 0.520 nan 8.150 nan 0.000 0.443 98 I N -0.662 119.923 120.570 0.026 0.000 2.113 98 I HA -0.296 3.873 4.170 -0.001 0.000 0.242 98 I C 2.769 178.905 176.117 0.032 0.000 1.064 98 I CA 2.054 63.372 61.300 0.030 0.000 1.320 98 I CB -0.354 37.661 38.000 0.025 0.000 1.028 98 I HN 0.438 nan 8.210 nan 0.000 0.406 99 E N 0.559 120.776 120.200 0.028 0.000 2.150 99 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 99 E C 2.230 178.833 176.600 0.004 0.000 0.985 99 E CA 0.951 57.359 56.400 0.013 0.000 0.814 99 E CB -0.810 28.888 29.700 -0.004 0.000 0.752 99 E HN 0.696 nan 8.360 nan 0.000 0.466 100 G N 0.457 109.268 108.800 0.018 0.000 2.505 100 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.220 100 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.220 100 G C 1.642 176.547 174.900 0.007 0.000 1.145 100 G CA 1.251 46.364 45.100 0.023 0.000 0.761 100 G HN 0.474 nan 8.290 nan 0.000 0.571 101 N N 0.392 119.094 118.700 0.004 0.000 2.069 101 N HA -0.139 4.600 4.740 -0.001 0.000 0.191 101 N C 2.471 177.982 175.510 0.002 0.000 1.031 101 N CA 1.798 54.832 53.050 -0.026 0.000 0.852 101 N CB -0.238 38.253 38.487 0.007 0.000 1.018 101 N HN 0.384 nan 8.380 nan 0.000 0.423 102 S N -0.414 115.304 115.700 0.030 0.000 2.489 102 S HA 0.063 4.532 4.470 -0.001 0.000 0.228 102 S C 1.782 176.383 174.600 0.001 0.000 0.995 102 S CA 0.144 58.379 58.200 0.060 0.000 0.934 102 S CB -0.144 63.131 63.200 0.124 0.000 0.771 102 S HN 0.325 nan 8.310 nan 0.000 0.522 103 L N 0.923 122.129 121.223 -0.028 0.000 2.095 103 L HA 0.168 4.508 4.340 -0.001 0.000 0.204 103 L C 2.683 179.572 176.870 0.032 0.000 1.080 103 L CA 1.232 56.027 54.840 -0.075 0.000 0.759 103 L CB -1.278 40.699 42.059 -0.138 0.000 0.914 103 L HN 0.526 nan 8.230 nan 0.000 0.439 104 G N -0.424 108.423 108.800 0.079 0.000 2.574 104 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.220 104 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.220 104 G C 1.349 176.359 174.900 0.183 0.000 1.173 104 G CA 1.025 46.190 45.100 0.108 0.000 0.772 104 G HN 0.476 nan 8.290 nan 0.000 0.585 105 Q N -1.127 118.769 119.800 0.159 0.000 2.167 105 Q HA 0.033 4.372 4.340 -0.001 0.000 0.202 105 Q C 2.481 178.550 176.000 0.115 0.000 0.970 105 Q CA 1.029 56.997 55.803 0.275 0.000 0.855 105 Q CB -0.202 28.674 28.738 0.230 0.000 0.911 105 Q HN 0.408 nan 8.270 nan 0.000 0.438 106 M N 1.059 120.651 119.600 -0.014 0.000 2.073 106 M HA -0.137 4.343 4.480 -0.001 0.000 0.258 106 M C -1.155 175.058 176.300 -0.145 0.000 1.070 106 M CA 1.799 57.025 55.300 -0.123 0.000 1.103 106 M CB -1.030 31.442 32.600 -0.212 0.000 1.321 106 M HN -0.008 nan 8.290 nan 0.000 0.405 107 P HA -0.105 nan 4.420 nan 0.000 0.218 107 P C 1.664 178.887 177.300 -0.129 0.000 1.148 107 P CA 1.444 64.347 63.100 -0.329 0.000 0.822 107 P CB -0.307 30.889 31.700 -0.840 0.000 0.784 108 I N -1.577 118.980 120.570 -0.021 0.000 2.406 108 I HA -0.131 4.039 4.170 -0.001 0.000 0.249 108 I C 2.297 178.418 176.117 0.006 0.000 1.122 108 I CA 1.049 62.355 61.300 0.011 0.000 1.431 108 I CB -0.465 37.555 38.000 0.033 0.000 1.087 108 I HN -0.119 nan 8.210 nan 0.000 0.424 109 I N 1.488 122.067 120.570 0.015 0.000 2.179 109 I HA -0.283 3.887 4.170 -0.001 0.000 0.242 109 I C 2.543 178.650 176.117 -0.017 0.000 1.088 109 I CA 1.823 63.130 61.300 0.011 0.000 1.357 109 I CB -0.231 37.780 38.000 0.017 0.000 1.051 109 I HN 0.252 nan 8.210 nan 0.000 0.409 110 I N -1.633 118.906 120.570 -0.050 0.000 2.876 110 I HA 0.128 4.298 4.170 -0.001 0.000 0.264 110 I C 1.721 177.811 176.117 -0.045 0.000 1.204 110 I CA 1.199 62.466 61.300 -0.055 0.000 1.485 110 I CB -0.099 37.852 38.000 -0.083 0.000 1.103 110 I HN 0.025 nan 8.210 nan 0.000 0.446 111 A N 0.715 123.507 122.820 -0.046 0.000 2.671 111 A HA 0.632 4.951 4.320 -0.001 0.000 0.265 111 A C 1.036 178.606 177.584 -0.024 0.000 1.148 111 A CA 0.101 52.116 52.037 -0.037 0.000 0.977 111 A CB -0.552 18.417 19.000 -0.051 0.000 1.242 111 A HN 0.385 nan 8.150 nan 0.000 0.591 112 G N 1.022 109.812 108.800 -0.016 0.000 2.507 112 G HA2 0.419 4.378 3.960 -0.001 0.000 0.271 112 G HA3 0.419 4.378 3.960 -0.001 0.000 0.271 112 G C -0.077 174.822 174.900 -0.002 0.000 1.189 112 G CA -0.111 44.984 45.100 -0.008 0.000 0.859 112 G HN 0.545 nan 8.290 nan 0.000 0.542 113 N N -0.449 118.253 118.700 0.003 0.000 2.447 113 N HA 0.206 4.945 4.740 -0.001 0.000 0.271 113 N C 0.147 175.662 175.510 0.008 0.000 1.226 113 N CA -0.597 52.457 53.050 0.006 0.000 0.980 113 N CB 0.886 39.378 38.487 0.007 0.000 1.206 113 N HN 0.346 nan 8.380 nan 0.000 0.558 114 D N -1.160 119.243 120.400 0.006 0.000 2.219 114 D HA -0.181 4.458 4.640 -0.001 0.000 0.205 114 D C 1.490 177.789 176.300 -0.002 0.000 0.970 114 D CA 0.898 54.900 54.000 0.003 0.000 0.851 114 D CB -0.019 40.782 40.800 0.001 0.000 0.943 114 D HN 0.657 nan 8.370 nan 0.000 0.488 115 Q N 0.667 120.468 119.800 0.000 0.000 1.975 115 Q HA -0.276 4.063 4.340 -0.001 0.000 0.205 115 Q C 1.986 177.983 176.000 -0.006 0.000 0.990 115 Q CA 1.611 57.410 55.803 -0.006 0.000 0.845 115 Q CB -0.067 28.674 28.738 0.006 0.000 0.913 115 Q HN 0.374 nan 8.270 nan 0.000 0.420 116 Q N 0.082 119.905 119.800 0.037 0.000 2.135 116 Q HA -0.189 4.150 4.340 -0.001 0.000 0.204 116 Q C 2.119 178.160 176.000 0.069 0.000 0.981 116 Q CA 1.739 57.607 55.803 0.108 0.000 0.856 116 Q CB -0.016 28.767 28.738 0.074 0.000 0.902 116 Q HN 0.262 nan 8.270 nan 0.000 0.425 117 K N 0.326 120.740 120.400 0.024 0.000 2.062 117 K HA -0.125 4.194 4.320 -0.001 0.000 0.205 117 K C 2.021 178.622 176.600 0.000 0.000 1.051 117 K CA 0.972 57.271 56.287 0.019 0.000 0.941 117 K CB 0.064 32.576 32.500 0.019 0.000 0.719 117 K HN -0.122 nan 8.250 nan 0.000 0.440 118 K N 1.280 121.667 120.400 -0.021 0.000 2.057 118 K HA -0.085 4.234 4.320 -0.001 0.000 0.206 118 K C 1.808 178.351 176.600 -0.096 0.000 1.050 118 K CA 1.484 57.748 56.287 -0.038 0.000 0.935 118 K CB 0.028 32.507 32.500 -0.035 0.000 0.715 118 K HN -0.070 nan 8.250 nan 0.000 0.439 119 K N -1.153 119.142 120.400 -0.174 0.000 1.973 119 K HA -0.146 4.173 4.320 -0.001 0.000 0.212 119 K C 1.845 178.126 176.600 -0.532 0.000 1.047 119 K CA 1.964 58.011 56.287 -0.400 0.000 0.937 119 K CB -0.180 31.990 32.500 -0.551 0.000 0.721 119 K HN 0.149 nan 8.250 nan 0.000 0.440 120 Y N -0.044 120.111 120.300 -0.242 0.000 2.503 120 Y HA 0.094 4.643 4.550 -0.001 0.000 0.278 120 Y C 1.716 177.544 175.900 -0.120 0.000 1.111 120 Y CA 0.278 58.112 58.100 -0.444 0.000 1.270 120 Y CB 0.216 38.032 38.460 -1.074 0.000 1.063 120 Y HN -0.007 nan 8.280 nan 0.000 0.548 121 L N -1.378 119.895 121.223 0.083 0.000 2.084 121 L HA 0.053 4.392 4.340 -0.001 0.000 0.202 121 L C 2.667 179.619 176.870 0.137 0.000 1.074 121 L CA 1.023 55.966 54.840 0.172 0.000 0.757 121 L CB -1.227 40.911 42.059 0.132 0.000 0.918 121 L HN 0.268 nan 8.230 nan 0.000 0.444 122 G N 1.579 110.414 108.800 0.060 0.000 2.574 122 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.220 122 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.220 122 G C 1.633 176.581 174.900 0.080 0.000 1.173 122 G CA 1.461 46.591 45.100 0.049 0.000 0.772 122 G HN 0.482 nan 8.290 nan 0.000 0.585 123 R N -0.242 120.294 120.500 0.060 0.000 2.170 123 R HA -0.071 4.269 4.340 -0.001 0.000 0.242 123 R C 2.226 178.613 176.300 0.146 0.000 1.145 123 R CA 1.929 58.078 56.100 0.082 0.000 0.984 123 R CB -0.408 29.925 30.300 0.056 0.000 0.869 123 R HN 0.348 nan 8.270 nan 0.000 0.455 124 M N 0.564 120.290 119.600 0.210 0.000 2.419 124 M HA 0.007 4.486 4.480 -0.001 0.000 0.264 124 M C 1.666 178.171 176.300 0.342 0.000 1.082 124 M CA 1.244 56.693 55.300 0.248 0.000 1.119 124 M CB -0.565 32.205 32.600 0.284 0.000 1.398 124 M HN 0.165 nan 8.290 nan 0.000 0.453 125 T N 1.244 115.962 114.554 0.273 0.000 2.732 125 T HA -0.086 4.263 4.350 -0.001 0.000 0.261 125 T C 2.283 177.204 174.700 0.369 0.000 1.040 125 T CA 2.155 64.418 62.100 0.272 0.000 1.145 125 T CB -0.242 68.710 68.868 0.140 0.000 0.866 125 T HN 0.628 nan 8.240 nan 0.000 0.427 126 E N 0.943 121.295 120.200 0.254 0.000 2.150 126 E HA 0.007 4.357 4.350 -0.001 0.000 0.193 126 E C 0.977 177.738 176.600 0.269 0.000 0.985 126 E CA 0.968 57.509 56.400 0.236 0.000 0.814 126 E CB -0.100 29.670 29.700 0.117 0.000 0.752 126 E HN 0.648 nan 8.360 nan 0.000 0.466 127 E N -0.603 119.671 120.200 0.123 0.000 2.290 127 E HA 0.238 4.588 4.350 -0.001 0.000 0.274 127 E C -2.653 173.545 176.600 -0.669 0.000 0.889 127 E CA -2.464 53.771 56.400 -0.275 0.000 0.760 127 E CB 2.449 32.060 29.700 -0.148 0.000 1.206 127 E HN -0.052 nan 8.360 nan 0.000 0.419 128 P HA -0.030 nan 4.420 nan 0.000 0.272 128 P C -0.062 176.952 177.300 -0.476 0.000 1.542 128 P CA 0.510 62.851 63.100 -1.266 0.000 0.846 128 P CB -0.417 30.617 31.700 -1.109 0.000 1.782 129 L N -0.155 120.902 121.223 -0.277 0.000 2.476 129 L HA 0.251 4.591 4.340 -0.001 0.000 0.255 129 L C 1.003 177.817 176.870 -0.094 0.000 1.218 129 L CA -0.260 54.504 54.840 -0.126 0.000 0.819 129 L CB 0.047 42.086 42.059 -0.034 0.000 1.119 129 L HN 0.026 nan 8.230 nan 0.000 0.485 130 M N 0.818 120.349 119.600 -0.116 0.000 2.602 130 M HA 0.494 4.973 4.480 -0.001 0.000 0.312 130 M C -0.640 175.455 176.300 -0.342 0.000 1.181 130 M CA -0.510 54.705 55.300 -0.143 0.000 0.910 130 M CB 1.720 34.274 32.600 -0.076 0.000 1.723 130 M HN 0.785 nan 8.290 nan 0.000 0.459 131 C N -0.143 118.897 119.300 -0.434 0.000 3.213 131 C HA 1.072 5.532 4.460 -0.001 0.000 0.319 131 C C -0.665 174.117 174.990 -0.347 0.000 1.386 131 C CA -0.900 57.676 59.018 -0.735 0.000 1.494 131 C CB 1.160 27.885 27.740 -1.692 0.000 1.905 131 C HN 1.097 nan 8.230 nan 0.000 0.456 132 A N -0.330 122.372 122.820 -0.195 0.000 2.532 132 A HA 0.797 5.117 4.320 -0.001 0.000 0.290 132 A C -1.892 175.843 177.584 0.252 0.000 1.143 132 A CA -0.490 51.616 52.037 0.115 0.000 0.728 132 A CB 1.151 20.325 19.000 0.290 0.000 1.317 132 A HN 1.487 nan 8.150 nan 0.000 0.414 133 Y N 0.675 121.071 120.300 0.159 0.000 2.417 133 Y HA 0.480 5.029 4.550 -0.001 0.000 0.336 133 Y C -0.696 175.329 175.900 0.209 0.000 0.961 133 Y CA -0.637 57.599 58.100 0.226 0.000 1.215 133 Y CB 0.948 39.481 38.460 0.122 0.000 1.120 133 Y HN 0.646 nan 8.280 nan 0.000 0.499 134 C N 6.879 126.203 119.300 0.039 0.000 2.225 134 C HA 0.430 4.889 4.460 -0.001 0.000 0.323 134 C C 0.959 175.872 174.990 -0.129 0.000 1.164 134 C CA -0.621 58.386 59.018 -0.019 0.000 1.565 134 C CB -0.719 26.950 27.740 -0.118 0.000 2.124 134 C HN 0.905 nan 8.230 nan 0.000 0.461 135 V N 1.659 121.583 119.914 0.016 0.000 3.137 135 V HA 0.042 4.161 4.120 -0.001 0.000 0.236 135 V C 1.335 177.483 176.094 0.090 0.000 1.260 135 V CA 0.853 63.162 62.300 0.016 0.000 1.244 135 V CB -0.284 31.601 31.823 0.102 0.000 1.016 135 V HN 0.774 nan 8.190 nan 0.000 0.477 136 T N 1.771 116.432 114.554 0.179 0.000 2.903 136 T HA 0.258 4.607 4.350 -0.001 0.000 0.314 136 T C -0.190 174.578 174.700 0.114 0.000 1.078 136 T CA 0.615 62.824 62.100 0.181 0.000 1.114 136 T CB 0.581 69.619 68.868 0.283 0.000 0.987 136 T HN 0.413 nan 8.240 nan 0.000 0.548 137 E N 1.711 121.977 120.200 0.110 0.000 2.393 137 E HA 0.257 4.606 4.350 -0.001 0.000 0.273 137 E C -1.898 174.738 176.600 0.060 0.000 0.918 137 E CA -2.210 54.224 56.400 0.057 0.000 0.773 137 E CB 1.899 31.633 29.700 0.056 0.000 1.275 137 E HN 0.211 nan 8.360 nan 0.000 0.451 138 P HA -0.160 nan 4.420 nan 0.000 0.218 138 P C 0.953 178.295 177.300 0.071 0.000 1.146 138 P CA 1.245 64.354 63.100 0.015 0.000 0.813 138 P CB 0.202 31.887 31.700 -0.024 0.000 0.778 139 G N -1.874 106.967 108.800 0.068 0.000 2.662 139 G HA2 0.371 4.330 3.960 -0.001 0.000 0.212 139 G HA3 0.371 4.330 3.960 -0.001 0.000 0.212 139 G C 0.258 175.212 174.900 0.091 0.000 1.141 139 G CA 0.657 45.802 45.100 0.075 0.000 0.797 139 G HN 0.503 nan 8.290 nan 0.000 0.531 140 A N -1.396 121.486 122.820 0.104 0.000 2.513 140 A HA 0.714 5.033 4.320 -0.001 0.000 0.296 140 A C 0.246 177.906 177.584 0.128 0.000 1.052 140 A CA 0.353 52.456 52.037 0.109 0.000 0.714 140 A CB 1.119 20.181 19.000 0.104 0.000 1.279 140 A HN 0.643 nan 8.150 nan 0.000 0.397 141 G N 0.026 108.901 108.800 0.126 0.000 2.508 141 G HA2 0.332 4.291 3.960 -0.001 0.000 0.167 141 G HA3 0.332 4.291 3.960 -0.001 0.000 0.167 141 G C 1.346 176.311 174.900 0.107 0.000 1.534 141 G CA 1.118 46.302 45.100 0.139 0.000 0.707 141 G HN 0.844 nan 8.290 nan 0.000 0.717 142 S N 1.054 116.800 115.700 0.076 0.000 2.389 142 S HA -0.170 4.300 4.470 -0.001 0.000 0.229 142 S C 1.132 175.777 174.600 0.075 0.000 1.048 142 S CA 1.734 59.965 58.200 0.052 0.000 1.117 142 S CB -0.411 62.812 63.200 0.039 0.000 1.020 142 S HN 0.480 nan 8.310 nan 0.000 0.430 143 D N 1.408 121.862 120.400 0.089 0.000 2.441 143 D HA 0.184 4.823 4.640 -0.001 0.000 0.243 143 D C 0.717 177.097 176.300 0.133 0.000 1.257 143 D CA -0.018 54.049 54.000 0.112 0.000 1.027 143 D CB 0.344 41.205 40.800 0.102 0.000 1.084 143 D HN -0.034 nan 8.370 nan 0.000 0.514 144 V N 3.728 123.737 119.914 0.158 0.000 2.453 144 V HA -0.151 3.968 4.120 -0.001 0.000 0.247 144 V C 2.343 178.523 176.094 0.143 0.000 1.048 144 V CA 1.736 64.111 62.300 0.125 0.000 1.049 144 V CB -0.498 31.365 31.823 0.068 0.000 0.672 144 V HN 0.677 nan 8.190 nan 0.000 0.457 145 A N 0.275 123.278 122.820 0.305 0.000 2.259 145 A HA 0.006 4.325 4.320 -0.001 0.000 0.212 145 A C 2.091 179.867 177.584 0.319 0.000 1.178 145 A CA 1.362 53.601 52.037 0.337 0.000 0.734 145 A CB -0.692 18.454 19.000 0.242 0.000 0.774 145 A HN 0.556 nan 8.150 nan 0.000 0.481 146 G N -0.030 108.893 108.800 0.206 0.000 2.939 146 G HA2 0.314 4.274 3.960 -0.001 0.000 0.210 146 G HA3 0.314 4.274 3.960 -0.001 0.000 0.210 146 G C 0.654 175.652 174.900 0.162 0.000 1.160 146 G CA 0.264 45.466 45.100 0.169 0.000 0.770 146 G HN 0.748 nan 8.290 nan 0.000 0.543 147 I N -1.860 118.804 120.570 0.157 0.000 2.683 147 I HA 0.308 4.477 4.170 -0.001 0.000 0.286 147 I C 0.613 176.846 176.117 0.192 0.000 1.175 147 I CA -0.044 61.336 61.300 0.133 0.000 1.429 147 I CB 0.947 38.981 38.000 0.056 0.000 1.371 147 I HN -0.310 nan 8.210 nan 0.000 0.569 148 K N 3.976 124.452 120.400 0.126 0.000 2.387 148 K HA 0.182 4.501 4.320 -0.001 0.000 0.203 148 K C 0.073 176.722 176.600 0.081 0.000 1.030 148 K CA 0.069 56.420 56.287 0.107 0.000 1.099 148 K CB 0.143 32.689 32.500 0.077 0.000 0.863 148 K HN 0.729 nan 8.250 nan 0.000 0.529 149 T N 3.444 118.039 114.554 0.069 0.000 2.765 149 T HA 0.002 4.352 4.350 -0.001 0.000 0.284 149 T C 0.082 174.811 174.700 0.048 0.000 0.946 149 T CA 0.101 62.218 62.100 0.027 0.000 1.185 149 T CB 0.097 68.940 68.868 -0.042 0.000 0.887 149 T HN 0.105 nan 8.240 nan 0.000 0.532 150 K N 1.130 121.551 120.400 0.034 0.000 2.174 150 K HA 0.789 5.109 4.320 -0.001 0.000 0.275 150 K C -0.187 176.430 176.600 0.029 0.000 1.015 150 K CA -1.119 55.194 56.287 0.044 0.000 0.933 150 K CB 1.433 33.952 32.500 0.032 0.000 1.025 150 K HN 0.661 nan 8.250 nan 0.000 0.463 151 A N 2.533 125.399 122.820 0.077 0.000 2.310 151 A HA 0.437 4.756 4.320 -0.001 0.000 0.304 151 A C -0.218 177.451 177.584 0.141 0.000 1.231 151 A CA -0.903 51.187 52.037 0.087 0.000 0.799 151 A CB 0.313 19.423 19.000 0.183 0.000 1.162 151 A HN 0.890 nan 8.150 nan 0.000 0.486 152 E N 3.133 123.376 120.200 0.070 0.000 2.216 152 E HA 0.343 4.692 4.350 -0.001 0.000 0.279 152 E C -0.736 175.832 176.600 -0.054 0.000 0.997 152 E CA -0.764 55.652 56.400 0.027 0.000 0.817 152 E CB 1.662 31.357 29.700 -0.008 0.000 1.096 152 E HN 0.476 nan 8.360 nan 0.000 0.393 153 K N 1.647 121.948 120.400 -0.165 0.000 2.319 153 K HA 0.059 4.379 4.320 -0.001 0.000 0.265 153 K C 0.005 176.458 176.600 -0.246 0.000 1.000 153 K CA 0.063 56.097 56.287 -0.423 0.000 0.943 153 K CB 0.550 32.799 32.500 -0.418 0.000 0.950 153 K HN 0.566 nan 8.250 nan 0.000 0.485 154 K N 1.220 121.466 120.400 -0.256 0.000 3.009 154 K HA 0.098 4.417 4.320 -0.001 0.000 0.228 154 K C 0.089 176.615 176.600 -0.124 0.000 1.307 154 K CA 0.314 56.516 56.287 -0.142 0.000 0.882 154 K CB -0.102 32.338 32.500 -0.100 0.000 1.275 154 K HN 0.847 nan 8.250 nan 0.000 0.551 155 G N 2.814 111.543 108.800 -0.118 0.000 2.889 155 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.308 155 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.308 155 G C 0.055 174.905 174.900 -0.084 0.000 1.248 155 G CA 0.639 45.691 45.100 -0.081 0.000 0.982 155 G HN 0.566 nan 8.290 nan 0.000 0.571 156 D N 2.798 123.168 120.400 -0.050 0.000 2.755 156 D HA 0.495 5.134 4.640 -0.001 0.000 0.257 156 D C 0.278 176.594 176.300 0.026 0.000 1.291 156 D CA 0.742 54.737 54.000 -0.009 0.000 0.836 156 D CB 0.210 41.016 40.800 0.009 0.000 1.059 156 D HN 0.868 nan 8.370 nan 0.000 0.486 157 E N -1.600 118.592 120.200 -0.014 0.000 2.389 157 E HA 0.259 4.608 4.350 -0.001 0.000 0.281 157 E C -1.637 174.943 176.600 -0.033 0.000 1.111 157 E CA -0.976 55.463 56.400 0.064 0.000 0.869 157 E CB 0.625 30.344 29.700 0.032 0.000 1.259 157 E HN -0.152 nan 8.360 nan 0.000 0.434 158 Y N 0.769 121.017 120.300 -0.086 0.000 2.462 158 Y HA 0.478 5.027 4.550 -0.001 0.000 0.346 158 Y C -0.382 175.404 175.900 -0.191 0.000 0.976 158 Y CA -1.142 56.876 58.100 -0.137 0.000 1.044 158 Y CB 1.827 40.145 38.460 -0.238 0.000 1.230 158 Y HN 0.452 nan 8.280 nan 0.000 0.455 159 I N 5.187 125.752 120.570 -0.008 0.000 2.307 159 I HA 0.212 4.381 4.170 -0.001 0.000 0.289 159 I C -0.644 175.429 176.117 -0.073 0.000 1.021 159 I CA -0.781 60.492 61.300 -0.045 0.000 1.224 159 I CB 0.646 38.629 38.000 -0.028 0.000 1.376 159 I HN 0.417 nan 8.210 nan 0.000 0.470 160 I N 6.877 127.372 120.570 -0.125 0.000 2.325 160 I HA 0.211 4.380 4.170 -0.001 0.000 0.291 160 I C 0.164 176.255 176.117 -0.044 0.000 1.019 160 I CA -0.168 61.033 61.300 -0.165 0.000 1.302 160 I CB 0.051 37.843 38.000 -0.346 0.000 1.401 160 I HN 0.405 nan 8.210 nan 0.000 0.485 161 N N 4.111 122.795 118.700 -0.028 0.000 2.448 161 N HA 0.823 5.562 4.740 -0.001 0.000 0.279 161 N C -0.084 175.443 175.510 0.029 0.000 1.025 161 N CA -0.227 52.839 53.050 0.027 0.000 0.898 161 N CB 1.873 40.373 38.487 0.021 0.000 1.303 161 N HN 0.807 nan 8.380 nan 0.000 0.495 162 G N 0.656 109.507 108.800 0.086 0.000 2.336 162 G HA2 0.273 4.232 3.960 -0.001 0.000 0.286 162 G HA3 0.273 4.232 3.960 -0.001 0.000 0.286 162 G C -2.107 172.896 174.900 0.171 0.000 1.269 162 G CA -0.617 44.532 45.100 0.081 0.000 0.873 162 G HN 0.463 nan 8.290 nan 0.000 0.494 163 Q N -0.017 119.859 119.800 0.127 0.000 2.268 163 Q HA 0.541 4.880 4.340 -0.001 0.000 0.266 163 Q C -1.414 174.633 176.000 0.079 0.000 1.006 163 Q CA -0.855 55.017 55.803 0.115 0.000 0.824 163 Q CB 1.709 30.463 28.738 0.028 0.000 1.306 163 Q HN 0.345 nan 8.270 nan 0.000 0.424 164 K N 2.685 123.141 120.400 0.094 0.000 2.203 164 K HA 0.596 4.916 4.320 -0.001 0.000 0.251 164 K C -0.755 175.811 176.600 -0.057 0.000 0.944 164 K CA -0.761 55.550 56.287 0.041 0.000 0.829 164 K CB 1.721 34.276 32.500 0.091 0.000 1.125 164 K HN 0.711 nan 8.250 nan 0.000 0.430 165 M N 0.420 119.971 119.600 -0.082 0.000 2.619 165 M HA 0.329 4.808 4.480 -0.001 0.000 0.297 165 M C -1.317 174.891 176.300 -0.153 0.000 1.229 165 M CA -0.148 54.973 55.300 -0.298 0.000 0.860 165 M CB 1.109 33.406 32.600 -0.505 0.000 1.741 165 M HN 0.653 nan 8.290 nan 0.000 0.462 166 W N 3.105 124.429 121.300 0.039 0.000 4.435 166 W HA -0.170 4.489 4.660 -0.001 0.000 0.351 166 W C -0.615 175.950 176.519 0.076 0.000 1.319 166 W CA -0.500 56.875 57.345 0.051 0.000 0.791 166 W CB -1.818 27.677 29.460 0.058 0.000 2.419 166 W HN 0.412 nan 8.180 nan 0.000 1.406 167 I N 1.234 121.923 120.570 0.199 0.000 2.347 167 I HA 0.071 4.240 4.170 -0.001 0.000 0.294 167 I C 1.340 177.568 176.117 0.184 0.000 1.090 167 I CA 0.044 61.455 61.300 0.186 0.000 1.314 167 I CB -0.334 37.730 38.000 0.107 0.000 1.423 167 I HN -0.143 nan 8.210 nan 0.000 0.503 168 T N 6.993 121.671 114.554 0.207 0.000 2.905 168 T HA -0.029 4.321 4.350 -0.001 0.000 0.299 168 T C 1.222 176.012 174.700 0.151 0.000 1.024 168 T CA 0.556 62.764 62.100 0.180 0.000 1.151 168 T CB -0.256 68.719 68.868 0.178 0.000 0.987 168 T HN 0.723 nan 8.240 nan 0.000 0.535 169 N N -0.127 118.650 118.700 0.129 0.000 2.857 169 N HA -0.183 4.557 4.740 -0.001 0.000 0.242 169 N C 0.695 176.240 175.510 0.059 0.000 0.983 169 N CA 0.482 53.572 53.050 0.067 0.000 0.934 169 N CB -0.831 37.700 38.487 0.074 0.000 1.115 169 N HN 0.801 nan 8.380 nan 0.000 0.593 170 G N -0.719 108.159 108.800 0.129 0.000 2.432 170 G HA2 0.362 4.321 3.960 -0.001 0.000 0.239 170 G HA3 0.362 4.321 3.960 -0.001 0.000 0.239 170 G C 1.182 176.139 174.900 0.095 0.000 1.291 170 G CA 0.586 45.812 45.100 0.209 0.000 0.863 170 G HN 0.671 nan 8.290 nan 0.000 0.560 171 G N 1.149 110.017 108.800 0.114 0.000 2.284 171 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.247 171 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.247 171 G C 1.091 175.918 174.900 -0.121 0.000 1.012 171 G CA 0.896 45.986 45.100 -0.018 0.000 0.618 171 G HN 0.828 nan 8.290 nan 0.000 0.521 172 K N 0.737 121.029 120.400 -0.179 0.000 2.438 172 K HA 0.724 5.043 4.320 -0.001 0.000 0.205 172 K C 0.823 177.307 176.600 -0.194 0.000 1.033 172 K CA 0.778 56.900 56.287 -0.276 0.000 1.089 172 K CB 0.738 32.875 32.500 -0.606 0.000 0.857 172 K HN 0.773 nan 8.250 nan 0.000 0.522 173 A N 0.255 122.963 122.820 -0.185 0.000 2.293 173 A HA 0.270 4.590 4.320 -0.001 0.000 0.302 173 A C 0.782 178.183 177.584 -0.305 0.000 1.119 173 A CA -0.445 51.417 52.037 -0.292 0.000 0.823 173 A CB 0.442 19.194 19.000 -0.414 0.000 1.097 173 A HN 0.367 nan 8.150 nan 0.000 0.491 174 N N 0.721 119.255 118.700 -0.277 0.000 2.290 174 N HA 0.014 4.753 4.740 -0.001 0.000 0.179 174 N C -0.021 175.489 175.510 -0.001 0.000 1.016 174 N CA 0.844 53.843 53.050 -0.087 0.000 0.871 174 N CB 0.018 38.554 38.487 0.082 0.000 0.987 174 N HN 0.791 nan 8.380 nan 0.000 0.431 175 W N -0.602 120.558 121.300 -0.232 0.000 3.042 175 W HA 0.410 5.069 4.660 -0.001 0.000 0.342 175 W C -2.047 174.259 176.519 -0.355 0.000 1.240 175 W CA -0.842 56.332 57.345 -0.285 0.000 1.166 175 W CB 0.037 29.463 29.460 -0.056 0.000 1.469 175 W HN -0.259 nan 8.180 nan 0.000 0.579 176 Y N 1.273 121.783 120.300 0.351 0.000 2.446 176 Y HA 0.459 5.008 4.550 -0.001 0.000 0.345 176 Y C -0.311 175.793 175.900 0.339 0.000 0.984 176 Y CA -1.633 56.598 58.100 0.218 0.000 1.058 176 Y CB 1.767 40.322 38.460 0.158 0.000 1.220 176 Y HN 0.282 nan 8.280 nan 0.000 0.455 177 F N 4.387 124.528 119.950 0.317 0.000 2.427 177 F HA 0.566 5.092 4.527 -0.001 0.000 0.352 177 F C -1.163 174.621 175.800 -0.027 0.000 1.100 177 F CA -0.639 57.433 58.000 0.120 0.000 1.191 177 F CB 0.322 39.319 39.000 -0.004 0.000 1.128 177 F HN 0.449 nan 8.300 nan 0.000 0.533 178 L N 7.814 128.426 121.223 -1.019 0.000 2.385 178 L HA 0.588 4.927 4.340 -0.001 0.000 0.273 178 L C -1.878 174.361 176.870 -1.053 0.000 0.990 178 L CA -0.967 53.384 54.840 -0.815 0.000 0.821 178 L CB 1.615 43.413 42.059 -0.434 0.000 1.279 178 L HN 0.781 nan 8.230 nan 0.000 0.412 179 L N 5.137 125.927 121.223 -0.721 0.000 2.317 179 L HA 0.952 5.291 4.340 -0.001 0.000 0.281 179 L C -0.693 176.080 176.870 -0.161 0.000 1.024 179 L CA 0.133 54.723 54.840 -0.416 0.000 0.810 179 L CB 1.593 43.495 42.059 -0.261 0.000 1.240 179 L HN 0.753 nan 8.230 nan 0.000 0.427 180 A N 4.413 127.254 122.820 0.035 0.000 2.572 180 A HA 0.589 4.909 4.320 -0.001 0.000 0.295 180 A C -1.038 176.775 177.584 0.381 0.000 1.072 180 A CA -0.834 51.310 52.037 0.178 0.000 0.691 180 A CB 1.192 20.296 19.000 0.173 0.000 1.291 180 A HN 0.712 nan 8.150 nan 0.000 0.404 181 R N 1.891 122.597 120.500 0.344 0.000 2.325 181 R HA 0.317 4.656 4.340 -0.001 0.000 0.323 181 R C 0.417 176.758 176.300 0.067 0.000 1.177 181 R CA 0.332 56.541 56.100 0.183 0.000 1.018 181 R CB 0.091 30.473 30.300 0.135 0.000 1.070 181 R HN 0.759 nan 8.270 nan 0.000 0.495 182 S N 2.433 118.155 115.700 0.037 0.000 2.349 182 S HA -0.146 4.324 4.470 -0.001 0.000 0.216 182 S C 0.437 175.038 174.600 0.001 0.000 1.033 182 S CA 1.083 59.324 58.200 0.068 0.000 1.021 182 S CB -0.103 63.126 63.200 0.049 0.000 0.968 182 S HN 0.698 nan 8.310 nan 0.000 0.426 183 D N 1.678 122.025 120.400 -0.089 0.000 2.358 183 D HA 0.152 4.792 4.640 -0.001 0.000 0.258 183 D C -1.928 174.321 176.300 -0.085 0.000 1.223 183 D CA -1.813 52.134 54.000 -0.088 0.000 0.886 183 D CB 1.398 42.116 40.800 -0.137 0.000 1.120 183 D HN 0.060 nan 8.370 nan 0.000 0.482 184 P HA 0.038 nan 4.420 nan 0.000 0.230 184 P C -0.253 177.023 177.300 -0.040 0.000 1.168 184 P CA 0.002 63.080 63.100 -0.036 0.000 0.793 184 P CB 0.091 31.780 31.700 -0.018 0.000 0.851 185 D N 1.348 121.721 120.400 -0.045 0.000 2.389 185 D HA -0.010 4.630 4.640 -0.001 0.000 0.263 185 D C -1.583 174.686 176.300 -0.052 0.000 1.255 185 D CA -1.410 52.565 54.000 -0.041 0.000 0.914 185 D CB 0.307 41.085 40.800 -0.037 0.000 1.116 185 D HN 0.053 nan 8.370 nan 0.000 0.502 186 P HA -0.032 nan 4.420 nan 0.000 0.239 186 P C 0.375 177.652 177.300 -0.037 0.000 1.184 186 P CA 0.685 63.764 63.100 -0.035 0.000 0.760 186 P CB 0.200 31.891 31.700 -0.016 0.000 0.884 187 K N -0.647 119.729 120.400 -0.039 0.000 2.404 187 K HA 0.242 4.561 4.320 -0.001 0.000 0.194 187 K C 0.810 177.379 176.600 -0.052 0.000 1.023 187 K CA -0.172 56.093 56.287 -0.036 0.000 1.094 187 K CB 0.133 32.617 32.500 -0.027 0.000 0.841 187 K HN 0.053 nan 8.250 nan 0.000 0.523 188 A N 3.047 125.821 122.820 -0.076 0.000 2.363 188 A HA 0.275 4.595 4.320 -0.001 0.000 0.270 188 A C -2.149 175.362 177.584 -0.121 0.000 1.121 188 A CA -1.374 50.605 52.037 -0.097 0.000 0.800 188 A CB -0.151 18.781 19.000 -0.114 0.000 1.052 188 A HN 0.018 nan 8.150 nan 0.000 0.493 189 P HA 0.172 nan 4.420 nan 0.000 0.269 189 P C 0.956 178.148 177.300 -0.179 0.000 1.215 189 P CA 0.440 63.469 63.100 -0.117 0.000 0.780 189 P CB 0.818 32.465 31.700 -0.087 0.000 0.898 190 A N 3.174 125.856 122.820 -0.230 0.000 1.915 190 A HA -0.297 4.022 4.320 -0.001 0.000 0.220 190 A C 2.040 179.462 177.584 -0.271 0.000 1.198 190 A CA 2.194 54.005 52.037 -0.377 0.000 0.647 190 A CB -1.667 16.692 19.000 -1.069 0.000 0.825 190 A HN 0.722 nan 8.150 nan 0.000 0.456 191 N N -1.012 117.562 118.700 -0.210 0.000 2.417 191 N HA -0.152 4.587 4.740 -0.001 0.000 0.187 191 N C 1.220 176.731 175.510 0.003 0.000 1.027 191 N CA 1.490 54.515 53.050 -0.042 0.000 0.891 191 N CB -0.115 38.359 38.487 -0.022 0.000 0.956 191 N HN 0.670 nan 8.380 nan 0.000 0.442 192 K N -0.743 119.625 120.400 -0.053 0.000 2.562 192 K HA 0.493 4.812 4.320 -0.001 0.000 0.201 192 K C 0.642 177.171 176.600 -0.119 0.000 1.131 192 K CA 0.342 56.600 56.287 -0.048 0.000 1.059 192 K CB 0.276 32.750 32.500 -0.043 0.000 0.913 192 K HN 0.171 nan 8.250 nan 0.000 0.563 193 A N -0.180 122.487 122.820 -0.255 0.000 2.390 193 A HA 0.684 5.003 4.320 -0.001 0.000 0.232 193 A C -0.226 176.905 177.584 -0.754 0.000 1.233 193 A CA 0.148 51.852 52.037 -0.556 0.000 0.907 193 A CB 0.010 18.522 19.000 -0.813 0.000 0.967 193 A HN 0.310 nan 8.150 nan 0.000 0.512 194 F N -0.705 119.263 119.950 0.029 0.000 2.565 194 F HA 0.551 5.078 4.527 0.000 0.000 0.313 194 F C 0.019 175.788 175.800 -0.052 0.000 1.091 194 F CA -0.587 57.430 58.000 0.029 0.000 0.915 194 F CB 2.189 41.260 39.000 0.119 0.000 1.208 194 F HN -0.227 nan 8.300 nan 0.000 0.453 195 T N 1.365 115.932 114.554 0.022 0.000 2.829 195 T HA 0.633 4.982 4.350 -0.001 0.000 0.280 195 T C 0.011 174.292 174.700 -0.700 0.000 0.999 195 T CA -0.864 61.014 62.100 -0.370 0.000 0.983 195 T CB 1.650 70.163 68.868 -0.592 0.000 0.968 195 T HN 0.848 nan 8.240 nan 0.000 0.446 196 G N 1.924 110.335 108.800 -0.650 0.000 2.332 196 G HA2 0.646 4.605 3.960 -0.001 0.000 0.310 196 G HA3 0.646 4.605 3.960 -0.001 0.000 0.310 196 G C -1.093 173.295 174.900 -0.853 0.000 1.123 196 G CA -0.440 44.266 45.100 -0.656 0.000 0.873 196 G HN 0.538 nan 8.290 nan 0.000 0.460 197 F N 0.546 120.216 119.950 -0.467 0.000 2.561 197 F HA 0.526 5.051 4.527 -0.002 0.000 0.321 197 F C 0.395 176.016 175.800 -0.299 0.000 1.065 197 F CA -1.001 56.794 58.000 -0.342 0.000 0.934 197 F CB 2.148 40.942 39.000 -0.344 0.000 1.215 197 F HN 0.190 nan 8.300 nan 0.000 0.471 198 I N 2.669 123.217 120.570 -0.036 0.000 2.342 198 I HA 0.394 4.564 4.170 -0.001 0.000 0.291 198 I C -0.914 175.146 176.117 -0.094 0.000 1.010 198 I CA -0.620 60.584 61.300 -0.161 0.000 1.308 198 I CB 1.085 38.739 38.000 -0.576 0.000 1.400 198 I HN 0.188 nan 8.210 nan 0.000 0.488 199 V N 6.458 126.410 119.914 0.063 0.000 2.483 199 V HA 0.236 4.355 4.120 -0.001 0.000 0.297 199 V C 0.023 176.240 176.094 0.204 0.000 1.027 199 V CA -0.842 61.536 62.300 0.131 0.000 0.855 199 V CB 1.728 33.683 31.823 0.220 0.000 0.995 199 V HN 0.662 nan 8.190 nan 0.000 0.424 200 E N 2.517 122.812 120.200 0.158 0.000 2.373 200 E HA 0.334 4.684 4.350 -0.001 0.000 0.267 200 E C 0.818 177.504 176.600 0.144 0.000 1.032 200 E CA 0.282 56.795 56.400 0.188 0.000 0.889 200 E CB 1.868 31.681 29.700 0.188 0.000 0.984 200 E HN 0.778 nan 8.360 nan 0.000 0.425 201 A N 3.968 126.825 122.820 0.061 0.000 1.878 201 A HA -0.149 4.170 4.320 -0.001 0.000 0.213 201 A C 1.632 179.249 177.584 0.056 0.000 1.192 201 A CA 1.146 53.192 52.037 0.015 0.000 0.619 201 A CB -0.253 18.624 19.000 -0.205 0.000 0.837 201 A HN 0.827 nan 8.150 nan 0.000 0.446 202 D N 0.520 120.941 120.400 0.036 0.000 2.369 202 D HA -0.129 4.510 4.640 -0.001 0.000 0.213 202 D C 0.037 176.362 176.300 0.042 0.000 0.982 202 D CA 1.240 55.259 54.000 0.032 0.000 0.931 202 D CB -1.243 39.575 40.800 0.030 0.000 0.889 202 D HN 0.268 nan 8.370 nan 0.000 0.487 203 T N 3.464 118.058 114.554 0.066 0.000 2.905 203 T HA 0.103 4.452 4.350 -0.001 0.000 0.299 203 T C -2.115 172.613 174.700 0.045 0.000 1.024 203 T CA -0.684 61.456 62.100 0.066 0.000 1.151 203 T CB 1.007 69.934 68.868 0.100 0.000 0.987 203 T HN 0.211 nan 8.240 nan 0.000 0.535 204 P HA 0.311 nan 4.420 nan 0.000 0.271 204 P C 0.935 178.244 177.300 0.015 0.000 1.216 204 P CA 0.068 63.177 63.100 0.014 0.000 0.776 204 P CB 0.835 32.541 31.700 0.011 0.000 0.881 205 G N 2.464 111.261 108.800 -0.006 0.000 2.259 205 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.217 205 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.217 205 G C 0.106 174.968 174.900 -0.064 0.000 1.001 205 G CA -0.410 44.684 45.100 -0.010 0.000 0.627 205 G HN 0.505 nan 8.290 nan 0.000 0.501 206 I N 2.302 122.820 120.570 -0.087 0.000 2.347 206 I HA 0.245 4.414 4.170 -0.001 0.000 0.294 206 I C 0.208 176.209 176.117 -0.195 0.000 1.090 206 I CA 0.087 61.245 61.300 -0.236 0.000 1.314 206 I CB 0.879 38.808 38.000 -0.118 0.000 1.423 206 I HN 0.171 nan 8.210 nan 0.000 0.503 207 Q N 6.389 126.043 119.800 -0.244 0.000 2.421 207 Q HA 0.391 4.730 4.340 -0.001 0.000 0.242 207 Q C -0.630 175.247 176.000 -0.205 0.000 1.024 207 Q CA -0.542 55.156 55.803 -0.175 0.000 0.891 207 Q CB 1.408 30.066 28.738 -0.134 0.000 1.222 207 Q HN 0.517 nan 8.270 nan 0.000 0.483 208 I N 2.391 122.873 120.570 -0.148 0.000 2.587 208 I HA 0.063 4.232 4.170 -0.001 0.000 0.284 208 I C 1.182 177.236 176.117 -0.105 0.000 1.134 208 I CA 0.629 61.855 61.300 -0.122 0.000 1.410 208 I CB 0.508 38.472 38.000 -0.061 0.000 1.392 208 I HN 0.620 nan 8.210 nan 0.000 0.545 209 G N 5.657 114.388 108.800 -0.115 0.000 2.570 209 G HA2 0.363 4.322 3.960 -0.001 0.000 0.276 209 G HA3 0.363 4.322 3.960 -0.001 0.000 0.276 209 G C -0.054 174.803 174.900 -0.072 0.000 1.346 209 G CA -0.817 44.224 45.100 -0.097 0.000 1.034 209 G HN 0.694 nan 8.290 nan 0.000 0.512 210 R N -0.562 119.900 120.500 -0.062 0.000 2.738 210 R HA 0.291 4.630 4.340 -0.001 0.000 0.268 210 R C 0.435 176.718 176.300 -0.029 0.000 1.062 210 R CA -0.584 55.492 56.100 -0.040 0.000 1.158 210 R CB 0.334 30.616 30.300 -0.031 0.000 1.046 210 R HN 0.455 nan 8.270 nan 0.000 0.493 211 K N 1.575 121.970 120.400 -0.009 0.000 2.453 211 K HA -0.065 4.254 4.320 -0.001 0.000 0.280 211 K C -0.594 176.025 176.600 0.031 0.000 1.045 211 K CA 0.214 56.510 56.287 0.015 0.000 1.059 211 K CB 0.475 32.991 32.500 0.027 0.000 0.901 211 K HN 0.483 nan 8.250 nan 0.000 0.475 212 E N 4.274 124.509 120.200 0.058 0.000 2.313 212 E HA 0.094 4.443 4.350 -0.001 0.000 0.276 212 E C -0.450 176.221 176.600 0.118 0.000 1.031 212 E CA -0.308 56.154 56.400 0.103 0.000 0.857 212 E CB 0.913 30.730 29.700 0.195 0.000 1.040 212 E HN 0.500 nan 8.360 nan 0.000 0.408 213 L N 4.325 125.612 121.223 0.107 0.000 2.272 213 L HA 0.247 4.586 4.340 -0.001 0.000 0.284 213 L C 0.161 177.075 176.870 0.072 0.000 1.045 213 L CA -0.497 54.389 54.840 0.075 0.000 0.842 213 L CB 0.277 42.367 42.059 0.052 0.000 1.224 213 L HN 0.178 nan 8.230 nan 0.000 0.430 214 N N 2.230 120.960 118.700 0.050 0.000 2.459 214 N HA 0.344 5.083 4.740 -0.001 0.000 0.288 214 N C 0.748 176.246 175.510 -0.020 0.000 1.186 214 N CA -0.765 52.290 53.050 0.008 0.000 0.917 214 N CB 1.460 39.932 38.487 -0.025 0.000 1.219 214 N HN 0.518 nan 8.380 nan 0.000 0.525 215 M N 0.091 119.661 119.600 -0.050 0.000 2.073 215 M HA -0.073 4.406 4.480 -0.001 0.000 0.258 215 M C 0.712 176.983 176.300 -0.048 0.000 1.070 215 M CA 1.834 57.104 55.300 -0.050 0.000 1.103 215 M CB -0.117 32.444 32.600 -0.066 0.000 1.321 215 M HN 0.637 nan 8.290 nan 0.000 0.405 216 G N -2.320 106.440 108.800 -0.066 0.000 3.015 216 G HA2 0.376 4.335 3.960 -0.001 0.000 0.281 216 G HA3 0.376 4.335 3.960 -0.001 0.000 0.281 216 G C -1.060 173.804 174.900 -0.059 0.000 1.386 216 G CA -0.600 44.464 45.100 -0.061 0.000 0.959 216 G HN 0.413 nan 8.290 nan 0.000 0.522 217 Q N -1.107 118.666 119.800 -0.044 0.000 2.395 217 Q HA -0.244 4.095 4.340 -0.001 0.000 0.326 217 Q C 1.698 177.700 176.000 0.003 0.000 1.302 217 Q CA 0.412 56.200 55.803 -0.024 0.000 0.949 217 Q CB -0.497 28.204 28.738 -0.062 0.000 1.204 217 Q HN 0.537 nan 8.270 nan 0.000 0.444 218 R N -0.066 120.443 120.500 0.014 0.000 2.127 218 R HA -0.172 4.167 4.340 -0.001 0.000 0.238 218 R C 2.188 178.531 176.300 0.071 0.000 1.134 218 R CA 2.015 58.137 56.100 0.036 0.000 0.975 218 R CB -0.260 30.058 30.300 0.030 0.000 0.865 218 R HN 0.778 nan 8.270 nan 0.000 0.447 219 C N -1.366 117.981 119.300 0.078 0.000 2.626 219 C HA 0.307 4.766 4.460 -0.001 0.000 0.266 219 C C 1.180 176.239 174.990 0.115 0.000 1.317 219 C CA -0.902 58.181 59.018 0.109 0.000 1.716 219 C CB -0.955 26.849 27.740 0.108 0.000 1.819 219 C HN 0.272 nan 8.230 nan 0.000 0.578 220 S N 1.568 117.330 115.700 0.103 0.000 2.564 220 S HA 0.212 4.681 4.470 -0.001 0.000 0.278 220 S C -0.386 174.342 174.600 0.213 0.000 1.333 220 S CA -0.055 58.240 58.200 0.157 0.000 1.048 220 S CB 0.285 63.550 63.200 0.108 0.000 0.900 220 S HN 0.663 nan 8.310 nan 0.000 0.505 221 D N 2.884 123.457 120.400 0.288 0.000 2.393 221 D HA 0.295 4.934 4.640 -0.001 0.000 0.232 221 D C -0.737 175.637 176.300 0.123 0.000 1.192 221 D CA -0.053 54.037 54.000 0.151 0.000 0.882 221 D CB 0.338 41.111 40.800 -0.044 0.000 1.038 221 D HN 0.379 nan 8.370 nan 0.000 0.499 222 T N 4.750 119.380 114.554 0.127 0.000 2.792 222 T HA 0.683 5.033 4.350 -0.001 0.000 0.280 222 T C -0.188 174.586 174.700 0.123 0.000 0.990 222 T CA -0.906 61.289 62.100 0.158 0.000 0.960 222 T CB 1.148 70.148 68.868 0.220 0.000 0.939 222 T HN 0.540 nan 8.240 nan 0.000 0.439 223 R N 0.553 121.103 120.500 0.084 0.000 2.728 223 R HA 0.761 5.101 4.340 -0.001 0.000 0.274 223 R C -0.622 175.631 176.300 -0.077 0.000 1.030 223 R CA -1.419 54.675 56.100 -0.009 0.000 0.876 223 R CB 0.722 31.006 30.300 -0.027 0.000 1.259 223 R HN 0.667 nan 8.270 nan 0.000 0.468 224 G N 0.807 109.507 108.800 -0.166 0.000 2.389 224 G HA2 0.576 4.535 3.960 -0.001 0.000 0.317 224 G HA3 0.576 4.535 3.960 -0.001 0.000 0.317 224 G C -0.630 174.168 174.900 -0.170 0.000 1.137 224 G CA -1.001 43.977 45.100 -0.203 0.000 0.870 224 G HN 0.688 nan 8.290 nan 0.000 0.496 225 I N 1.453 121.911 120.570 -0.187 0.000 2.582 225 I HA 0.702 4.871 4.170 -0.001 0.000 0.292 225 I C -0.884 175.043 176.117 -0.318 0.000 1.066 225 I CA -1.118 60.012 61.300 -0.284 0.000 1.053 225 I CB 2.219 39.984 38.000 -0.392 0.000 1.241 225 I HN 0.472 nan 8.210 nan 0.000 0.421 226 V N 6.614 126.321 119.914 -0.345 0.000 2.612 226 V HA 0.570 4.689 4.120 -0.001 0.000 0.301 226 V C -1.452 174.365 176.094 -0.462 0.000 1.046 226 V CA -0.172 61.976 62.300 -0.253 0.000 0.946 226 V CB 1.599 33.353 31.823 -0.115 0.000 1.003 226 V HN 0.656 nan 8.190 nan 0.000 0.459 227 F N 4.011 123.917 119.950 -0.074 0.000 2.359 227 F HA 0.522 5.048 4.527 -0.001 0.000 0.369 227 F C 0.264 176.034 175.800 -0.051 0.000 1.084 227 F CA -0.320 57.641 58.000 -0.066 0.000 1.096 227 F CB 1.321 40.271 39.000 -0.083 0.000 1.335 227 F HN 0.617 nan 8.300 nan 0.000 0.457 228 E N 3.298 123.537 120.200 0.066 0.000 2.092 228 E HA 0.151 4.500 4.350 -0.001 0.000 0.271 228 E C -0.147 176.477 176.600 0.040 0.000 0.919 228 E CA -0.218 56.205 56.400 0.040 0.000 0.760 228 E CB 0.506 30.207 29.700 0.001 0.000 1.106 228 E HN 0.550 nan 8.360 nan 0.000 0.408 229 D N 1.945 122.367 120.400 0.036 0.000 2.997 229 D HA -0.190 4.449 4.640 -0.001 0.000 0.226 229 D C -0.183 176.133 176.300 0.026 0.000 1.189 229 D CA 0.630 54.643 54.000 0.021 0.000 0.834 229 D CB -0.827 39.978 40.800 0.009 0.000 1.105 229 D HN 0.241 nan 8.370 nan 0.000 0.415 230 V N 0.839 120.790 119.914 0.061 0.000 2.678 230 V HA -0.151 3.968 4.120 -0.001 0.000 0.304 230 V C 0.933 177.033 176.094 0.010 0.000 1.086 230 V CA 0.779 63.121 62.300 0.071 0.000 1.246 230 V CB 0.410 32.346 31.823 0.188 0.000 0.861 230 V HN 0.196 nan 8.190 nan 0.000 0.491 231 K N 4.115 124.521 120.400 0.009 0.000 2.185 231 K HA 0.775 5.095 4.320 -0.001 0.000 0.269 231 K C -0.928 175.663 176.600 -0.015 0.000 0.987 231 K CA -0.818 55.464 56.287 -0.009 0.000 0.865 231 K CB 1.698 34.200 32.500 0.003 0.000 1.090 231 K HN 0.418 nan 8.250 nan 0.000 0.450 232 V N 3.500 123.389 119.914 -0.043 0.000 2.443 232 V HA 0.392 4.512 4.120 -0.001 0.000 0.293 232 V C -2.372 173.749 176.094 0.045 0.000 1.021 232 V CA -2.597 59.672 62.300 -0.052 0.000 0.848 232 V CB 1.558 33.227 31.823 -0.258 0.000 0.998 232 V HN 0.859 nan 8.190 nan 0.000 0.424 233 P HA 0.109 nan 4.420 nan 0.000 0.265 233 P C 0.831 178.233 177.300 0.171 0.000 1.187 233 P CA 0.198 63.363 63.100 0.108 0.000 0.766 233 P CB 0.658 32.408 31.700 0.083 0.000 0.820 234 K N 3.384 123.917 120.400 0.222 0.000 2.362 234 K HA -0.174 4.145 4.320 -0.001 0.000 0.202 234 K C 1.458 178.157 176.600 0.165 0.000 1.045 234 K CA 1.659 58.118 56.287 0.285 0.000 0.936 234 K CB -1.039 31.619 32.500 0.263 0.000 0.747 234 K HN 0.668 nan 8.250 nan 0.000 0.467 235 E N 0.472 120.741 120.200 0.115 0.000 2.347 235 E HA -0.100 4.249 4.350 -0.001 0.000 0.196 235 E C 0.582 177.225 176.600 0.072 0.000 1.008 235 E CA 0.735 57.185 56.400 0.084 0.000 0.852 235 E CB -0.139 29.605 29.700 0.073 0.000 0.783 235 E HN 0.555 nan 8.360 nan 0.000 0.505 236 N N 0.620 119.365 118.700 0.074 0.000 2.280 236 N HA 0.069 4.808 4.740 -0.001 0.000 0.192 236 N C -0.154 175.369 175.510 0.022 0.000 1.109 236 N CA -0.024 53.044 53.050 0.029 0.000 0.855 236 N CB 0.640 39.135 38.487 0.012 0.000 0.974 236 N HN -0.060 nan 8.380 nan 0.000 0.482 237 V N 1.153 121.078 119.914 0.018 0.000 2.811 237 V HA 0.046 4.165 4.120 -0.001 0.000 0.302 237 V C 1.707 177.730 176.094 -0.119 0.000 1.063 237 V CA 0.009 62.235 62.300 -0.123 0.000 1.088 237 V CB 1.422 33.159 31.823 -0.144 0.000 0.982 237 V HN 0.129 nan 8.190 nan 0.000 0.485 238 L N 2.877 123.990 121.223 -0.183 0.000 2.121 238 L HA 0.112 4.452 4.340 -0.001 0.000 0.200 238 L C 1.580 178.416 176.870 -0.057 0.000 1.077 238 L CA 1.405 56.192 54.840 -0.089 0.000 0.766 238 L CB 0.022 42.057 42.059 -0.039 0.000 0.931 238 L HN 0.613 nan 8.230 nan 0.000 0.452 239 I N -2.463 118.070 120.570 -0.062 0.000 3.812 239 I HA 0.283 4.453 4.170 -0.001 0.000 0.292 239 I C 0.741 176.844 176.117 -0.023 0.000 1.206 239 I CA 0.301 61.583 61.300 -0.031 0.000 1.370 239 I CB 1.097 39.087 38.000 -0.018 0.000 1.328 239 I HN 0.209 nan 8.210 nan 0.000 0.453 240 G N -0.094 108.684 108.800 -0.037 0.000 2.506 240 G HA2 0.187 4.146 3.960 -0.001 0.000 0.292 240 G HA3 0.187 4.146 3.960 -0.001 0.000 0.292 240 G C -1.938 172.942 174.900 -0.034 0.000 1.425 240 G CA -0.609 44.483 45.100 -0.014 0.000 0.788 240 G HN -0.081 nan 8.290 nan 0.000 0.490 241 D N -0.669 119.745 120.400 0.023 0.000 2.548 241 D HA 0.383 5.022 4.640 -0.001 0.000 0.231 241 D C 1.613 177.921 176.300 0.014 0.000 1.142 241 D CA 2.634 56.660 54.000 0.044 0.000 0.866 241 D CB 0.524 41.398 40.800 0.124 0.000 1.190 241 D HN 1.602 nan 8.370 nan 0.000 0.469 242 G N 2.213 111.015 108.800 0.003 0.000 2.220 242 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.269 242 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.269 242 G C 0.951 175.880 174.900 0.047 0.000 0.977 242 G CA 0.692 45.801 45.100 0.015 0.000 0.634 242 G HN 0.799 nan 8.290 nan 0.000 0.539 243 A N 0.575 123.412 122.820 0.027 0.000 2.275 243 A HA 0.587 4.906 4.320 -0.001 0.000 0.212 243 A C 2.456 180.086 177.584 0.076 0.000 1.201 243 A CA 1.307 53.375 52.037 0.053 0.000 0.843 243 A CB -0.567 18.444 19.000 0.018 0.000 0.873 243 A HN 1.531 nan 8.150 nan 0.000 0.492 244 G N -0.005 108.840 108.800 0.076 0.000 2.547 244 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.221 244 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.221 244 G C 1.291 176.293 174.900 0.170 0.000 1.140 244 G CA 1.416 46.575 45.100 0.098 0.000 0.760 244 G HN 0.464 nan 8.290 nan 0.000 0.583 245 F N 1.558 121.574 119.950 0.111 0.000 2.009 245 F HA -0.048 4.479 4.527 0.000 0.000 0.293 245 F C 3.042 178.865 175.800 0.038 0.000 1.156 245 F CA 2.305 60.350 58.000 0.075 0.000 1.168 245 F CB -0.748 38.358 39.000 0.176 0.000 0.981 245 F HN 0.123 nan 8.300 nan 0.000 0.475 246 K N 0.233 120.789 120.400 0.260 0.000 2.117 246 K HA -0.236 4.084 4.320 -0.001 0.000 0.215 246 K C 1.928 178.519 176.600 -0.015 0.000 1.053 246 K CA 1.875 58.228 56.287 0.110 0.000 0.935 246 K CB -1.523 31.048 32.500 0.117 0.000 0.719 246 K HN 0.290 nan 8.250 nan 0.000 0.460 247 V N 0.896 120.799 119.914 -0.019 0.000 2.220 247 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 247 V C 2.859 178.813 176.094 -0.233 0.000 1.049 247 V CA 2.488 64.729 62.300 -0.097 0.000 1.003 247 V CB -1.456 30.335 31.823 -0.053 0.000 0.634 247 V HN 0.767 nan 8.190 nan 0.000 0.444 248 A N -0.824 121.836 122.820 -0.266 0.000 1.851 248 A HA -0.321 3.998 4.320 -0.001 0.000 0.216 248 A C 2.187 179.440 177.584 -0.553 0.000 1.195 248 A CA 2.672 54.446 52.037 -0.438 0.000 0.622 248 A CB -0.709 18.124 19.000 -0.278 0.000 0.831 248 A HN 0.458 nan 8.150 nan 0.000 0.444 249 M N 0.182 119.546 119.600 -0.394 0.000 2.116 249 M HA -0.181 4.298 4.480 -0.001 0.000 0.255 249 M C 1.952 178.174 176.300 -0.129 0.000 1.075 249 M CA 1.890 57.073 55.300 -0.194 0.000 1.087 249 M CB -0.856 31.654 32.600 -0.150 0.000 1.340 249 M HN 0.430 nan 8.290 nan 0.000 0.402 250 G N -1.617 107.081 108.800 -0.170 0.000 2.443 250 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.219 250 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.219 250 G C 1.519 176.321 174.900 -0.164 0.000 1.131 250 G CA 0.800 45.831 45.100 -0.114 0.000 0.775 250 G HN 0.658 nan 8.290 nan 0.000 0.547 251 A N 0.500 123.120 122.820 -0.333 0.000 1.972 251 A HA 0.104 4.423 4.320 -0.001 0.000 0.219 251 A C 2.031 179.468 177.584 -0.245 0.000 1.169 251 A CA 1.116 52.934 52.037 -0.366 0.000 0.635 251 A CB -0.472 18.208 19.000 -0.533 0.000 0.810 251 A HN 0.267 nan 8.150 nan 0.000 0.446 252 F N 0.640 120.508 119.950 -0.135 0.000 2.234 252 F HA -0.083 4.443 4.527 -0.002 0.000 0.299 252 F C 1.896 177.645 175.800 -0.086 0.000 1.087 252 F CA 1.036 58.958 58.000 -0.130 0.000 1.340 252 F CB -0.762 38.170 39.000 -0.112 0.000 1.031 252 F HN 0.217 nan 8.300 nan 0.000 0.500 253 D N 0.234 120.709 120.400 0.126 0.000 2.116 253 D HA -0.171 4.469 4.640 -0.001 0.000 0.193 253 D C 2.100 178.430 176.300 0.049 0.000 0.998 253 D CA 1.413 55.463 54.000 0.084 0.000 0.836 253 D CB -0.241 40.596 40.800 0.062 0.000 0.951 253 D HN 0.201 nan 8.370 nan 0.000 0.449 254 K N -0.541 119.850 120.400 -0.015 0.000 2.366 254 K HA 0.009 4.329 4.320 -0.001 0.000 0.198 254 K C 1.842 178.392 176.600 -0.083 0.000 1.044 254 K CA 1.186 57.433 56.287 -0.067 0.000 0.973 254 K CB 0.251 32.636 32.500 -0.191 0.000 0.767 254 K HN 0.305 nan 8.250 nan 0.000 0.475 255 T N -2.487 112.031 114.554 -0.059 0.000 3.034 255 T HA 0.086 4.435 4.350 -0.001 0.000 0.248 255 T C 1.914 176.602 174.700 -0.021 0.000 1.040 255 T CA -0.167 61.899 62.100 -0.056 0.000 1.107 255 T CB 0.111 68.927 68.868 -0.088 0.000 0.932 255 T HN -0.019 nan 8.240 nan 0.000 0.474 256 R N 1.864 122.374 120.500 0.016 0.000 2.096 256 R HA 0.042 4.381 4.340 -0.001 0.000 0.235 256 R C -0.795 175.512 176.300 0.012 0.000 1.127 256 R CA 1.486 57.581 56.100 -0.007 0.000 0.968 256 R CB -0.990 29.303 30.300 -0.010 0.000 0.861 256 R HN 0.391 nan 8.270 nan 0.000 0.440 257 P HA -0.098 nan 4.420 nan 0.000 0.220 257 P C 0.956 178.225 177.300 -0.051 0.000 1.148 257 P CA 0.973 64.108 63.100 0.059 0.000 0.803 257 P CB 0.139 31.902 31.700 0.105 0.000 0.782 258 V N -0.737 119.139 119.914 -0.063 0.000 2.453 258 V HA -0.156 3.963 4.120 -0.001 0.000 0.247 258 V C 2.424 178.464 176.094 -0.091 0.000 1.048 258 V CA 1.486 63.716 62.300 -0.117 0.000 1.049 258 V CB -1.268 30.525 31.823 -0.051 0.000 0.672 258 V HN -0.030 nan 8.190 nan 0.000 0.457 259 V N 0.836 120.724 119.914 -0.043 0.000 2.407 259 V HA -0.244 3.876 4.120 -0.001 0.000 0.248 259 V C 2.793 178.939 176.094 0.086 0.000 1.055 259 V CA 1.908 64.240 62.300 0.053 0.000 1.049 259 V CB -1.312 30.493 31.823 -0.029 0.000 0.662 259 V HN 0.539 nan 8.190 nan 0.000 0.455 260 A N 0.211 123.044 122.820 0.020 0.000 1.940 260 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 260 A C 2.392 179.935 177.584 -0.068 0.000 1.176 260 A CA 2.188 54.245 52.037 0.034 0.000 0.631 260 A CB -0.688 18.386 19.000 0.123 0.000 0.814 260 A HN 0.596 nan 8.150 nan 0.000 0.446 261 A N -0.691 121.937 122.820 -0.321 0.000 1.968 261 A HA 0.243 4.562 4.320 -0.001 0.000 0.217 261 A C 2.343 179.767 177.584 -0.267 0.000 1.169 261 A CA 1.575 53.230 52.037 -0.636 0.000 0.638 261 A CB -1.187 17.098 19.000 -1.191 0.000 0.812 261 A HN 0.677 nan 8.150 nan 0.000 0.446 262 G N -0.048 108.651 108.800 -0.168 0.000 2.446 262 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.217 262 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.217 262 G C 1.771 176.414 174.900 -0.429 0.000 1.168 262 G CA 1.498 46.532 45.100 -0.109 0.000 0.771 262 G HN 0.757 nan 8.290 nan 0.000 0.551 263 A N 0.076 122.484 122.820 -0.686 0.000 1.908 263 A HA 0.025 4.344 4.320 -0.001 0.000 0.218 263 A C 2.604 179.990 177.584 -0.330 0.000 1.181 263 A CA 1.995 53.536 52.037 -0.827 0.000 0.627 263 A CB -0.716 17.970 19.000 -0.523 0.000 0.818 263 A HN 0.300 nan 8.150 nan 0.000 0.445 264 V N -0.088 119.752 119.914 -0.123 0.000 2.490 264 V HA -0.164 3.955 4.120 -0.001 0.000 0.250 264 V C 2.750 178.869 176.094 0.041 0.000 1.061 264 V CA 1.781 64.102 62.300 0.034 0.000 1.064 264 V CB -1.422 30.552 31.823 0.251 0.000 0.670 264 V HN 0.629 nan 8.190 nan 0.000 0.461 265 G N 0.606 109.412 108.800 0.010 0.000 2.453 265 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.215 265 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.215 265 G C 1.558 176.487 174.900 0.048 0.000 1.201 265 G CA 1.188 46.341 45.100 0.088 0.000 0.784 265 G HN 0.452 nan 8.290 nan 0.000 0.545 266 L N 1.875 123.062 121.223 -0.061 0.000 1.989 266 L HA 0.069 4.409 4.340 -0.001 0.000 0.211 266 L C 2.897 179.720 176.870 -0.078 0.000 1.071 266 L CA 2.418 57.207 54.840 -0.084 0.000 0.749 266 L CB -1.437 40.562 42.059 -0.099 0.000 0.890 266 L HN 0.283 nan 8.230 nan 0.000 0.431 267 A N -0.535 122.240 122.820 -0.074 0.000 1.884 267 A HA -0.374 3.946 4.320 -0.001 0.000 0.219 267 A C 2.320 179.906 177.584 0.003 0.000 1.197 267 A CA 2.498 54.509 52.037 -0.043 0.000 0.637 267 A CB -1.047 17.927 19.000 -0.043 0.000 0.827 267 A HN 0.682 nan 8.150 nan 0.000 0.450 268 Q N -0.507 119.332 119.800 0.065 0.000 2.061 268 Q HA -0.238 4.101 4.340 -0.001 0.000 0.204 268 Q C 2.156 178.234 176.000 0.131 0.000 0.984 268 Q CA 2.457 58.354 55.803 0.156 0.000 0.846 268 Q CB -0.327 28.581 28.738 0.283 0.000 0.902 268 Q HN 0.554 nan 8.270 nan 0.000 0.421 269 R N 0.046 120.498 120.500 -0.079 0.000 2.094 269 R HA -0.137 4.202 4.340 -0.001 0.000 0.239 269 R C 2.087 178.288 176.300 -0.165 0.000 1.137 269 R CA 2.142 57.983 56.100 -0.432 0.000 0.943 269 R CB -1.178 28.764 30.300 -0.597 0.000 0.850 269 R HN 0.369 nan 8.270 nan 0.000 0.433 270 A N 0.457 123.217 122.820 -0.101 0.000 1.892 270 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 270 A C 2.125 179.702 177.584 -0.012 0.000 1.188 270 A CA 1.788 53.793 52.037 -0.053 0.000 0.631 270 A CB -0.911 18.063 19.000 -0.042 0.000 0.822 270 A HN 0.411 nan 8.150 nan 0.000 0.447 271 L N 0.027 121.257 121.223 0.012 0.000 2.046 271 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 271 L C 1.668 178.573 176.870 0.059 0.000 1.077 271 L CA 2.661 57.524 54.840 0.038 0.000 0.747 271 L CB -0.765 41.322 42.059 0.047 0.000 0.896 271 L HN 0.346 nan 8.230 nan 0.000 0.432 272 D N -0.371 120.075 120.400 0.076 0.000 2.087 272 D HA -0.174 4.465 4.640 -0.001 0.000 0.192 272 D C 2.095 178.441 176.300 0.077 0.000 0.993 272 D CA 1.407 55.469 54.000 0.103 0.000 0.828 272 D CB -0.168 40.747 40.800 0.192 0.000 0.968 272 D HN 0.361 nan 8.370 nan 0.000 0.448 273 E N 0.788 121.010 120.200 0.035 0.000 2.048 273 E HA -0.213 4.137 4.350 -0.001 0.000 0.202 273 E C 2.117 178.763 176.600 0.078 0.000 1.021 273 E CA 1.339 57.765 56.400 0.043 0.000 0.825 273 E CB -0.632 29.064 29.700 -0.006 0.000 0.756 273 E HN 0.267 nan 8.360 nan 0.000 0.454 274 A N 0.860 123.715 122.820 0.057 0.000 1.902 274 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 274 A C 2.503 180.163 177.584 0.127 0.000 1.181 274 A CA 2.339 54.428 52.037 0.086 0.000 0.623 274 A CB -0.975 18.057 19.000 0.052 0.000 0.818 274 A HN 0.311 nan 8.150 nan 0.000 0.443 275 T N -0.077 114.535 114.554 0.097 0.000 2.643 275 T HA -0.156 4.193 4.350 -0.001 0.000 0.264 275 T C 1.945 176.703 174.700 0.096 0.000 1.045 275 T CA 1.741 63.893 62.100 0.087 0.000 1.155 275 T CB -0.269 68.640 68.868 0.070 0.000 0.863 275 T HN 0.496 nan 8.240 nan 0.000 0.420 276 K N 0.154 120.618 120.400 0.106 0.000 2.049 276 K HA -0.234 4.086 4.320 -0.001 0.000 0.219 276 K C 2.061 178.745 176.600 0.141 0.000 1.056 276 K CA 2.090 58.446 56.287 0.114 0.000 0.946 276 K CB -0.569 32.007 32.500 0.127 0.000 0.723 276 K HN 0.353 nan 8.250 nan 0.000 0.453 277 Y N 0.280 120.601 120.300 0.036 0.000 2.165 277 Y HA -0.242 4.307 4.550 -0.001 0.000 0.286 277 Y C 1.969 177.880 175.900 0.018 0.000 1.155 277 Y CA 1.689 59.805 58.100 0.026 0.000 1.164 277 Y CB -0.303 38.161 38.460 0.008 0.000 0.978 277 Y HN 0.137 nan 8.280 nan 0.000 0.513 278 A N -0.718 122.142 122.820 0.066 0.000 2.167 278 A HA 0.020 4.339 4.320 -0.001 0.000 0.214 278 A C 1.930 179.481 177.584 -0.054 0.000 1.151 278 A CA 0.724 52.752 52.037 -0.015 0.000 0.735 278 A CB -0.780 18.259 19.000 0.065 0.000 0.802 278 A HN 0.513 nan 8.150 nan 0.000 0.467 279 L N -0.578 120.625 121.223 -0.033 0.000 2.599 279 L HA 0.023 4.362 4.340 -0.001 0.000 0.230 279 L C 2.092 178.921 176.870 -0.069 0.000 1.141 279 L CA 1.234 56.052 54.840 -0.038 0.000 0.877 279 L CB -0.041 42.016 42.059 -0.003 0.000 1.009 279 L HN 0.790 nan 8.230 nan 0.000 0.447 280 E N -0.371 119.749 120.200 -0.133 0.000 2.555 280 E HA -0.016 4.333 4.350 -0.001 0.000 0.209 280 E C 0.922 177.388 176.600 -0.223 0.000 0.847 280 E CA -0.488 55.828 56.400 -0.141 0.000 1.438 280 E CB 0.362 30.008 29.700 -0.089 0.000 1.420 280 E HN 0.064 nan 8.360 nan 0.000 0.755 281 R N 2.294 122.547 120.500 -0.412 0.000 2.543 281 R HA 0.217 4.556 4.340 -0.001 0.000 0.277 281 R C -0.766 175.414 176.300 -0.199 0.000 1.074 281 R CA 0.258 56.120 56.100 -0.396 0.000 1.076 281 R CB 0.692 30.574 30.300 -0.697 0.000 0.993 281 R HN -0.081 nan 8.270 nan 0.000 0.459 282 K N 2.230 122.559 120.400 -0.117 0.000 2.316 282 K HA 0.415 4.734 4.320 -0.001 0.000 0.251 282 K C -1.025 175.574 176.600 -0.001 0.000 0.934 282 K CA -0.823 55.431 56.287 -0.054 0.000 0.802 282 K CB 2.225 34.697 32.500 -0.046 0.000 1.171 282 K HN 0.874 nan 8.250 nan 0.000 0.426 283 T N -1.824 112.787 114.554 0.096 0.000 2.903 283 T HA 0.442 4.791 4.350 -0.001 0.000 0.299 283 T C -0.006 174.892 174.700 0.330 0.000 1.093 283 T CA -0.775 61.417 62.100 0.152 0.000 1.002 283 T CB 0.283 69.346 68.868 0.325 0.000 1.127 283 T HN 0.562 nan 8.240 nan 0.000 0.488 284 F N 1.010 121.015 119.950 0.092 0.000 2.925 284 F HA -0.084 4.443 4.527 -0.001 0.000 0.239 284 F C 1.711 177.553 175.800 0.071 0.000 1.009 284 F CA 1.201 59.250 58.000 0.082 0.000 0.847 284 F CB -2.027 37.033 39.000 0.100 0.000 0.719 284 F HN 1.496 nan 8.300 nan 0.000 0.826 285 G N -0.382 108.497 108.800 0.131 0.000 2.155 285 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.257 285 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.257 285 G C 0.089 175.014 174.900 0.041 0.000 0.983 285 G CA 0.483 45.626 45.100 0.072 0.000 0.676 285 G HN 0.585 nan 8.290 nan 0.000 0.528 286 K N -0.852 119.564 120.400 0.026 0.000 2.508 286 K HA 0.655 4.974 4.320 -0.001 0.000 0.260 286 K C 0.156 176.668 176.600 -0.147 0.000 0.949 286 K CA -1.101 55.128 56.287 -0.096 0.000 0.834 286 K CB 1.933 34.308 32.500 -0.209 0.000 1.365 286 K HN 0.075 nan 8.250 nan 0.000 0.437 287 L N 3.243 124.376 121.223 -0.150 0.000 2.456 287 L HA 0.038 4.377 4.340 -0.001 0.000 0.272 287 L C 1.634 178.386 176.870 -0.196 0.000 1.189 287 L CA -0.057 54.698 54.840 -0.142 0.000 0.846 287 L CB 0.226 42.222 42.059 -0.104 0.000 1.111 287 L HN 0.598 nan 8.230 nan 0.000 0.475 288 L N 2.663 123.816 121.223 -0.116 0.000 2.129 288 L HA -0.226 4.114 4.340 -0.001 0.000 0.212 288 L C 2.192 179.041 176.870 -0.036 0.000 1.087 288 L CA 1.000 55.825 54.840 -0.025 0.000 0.757 288 L CB -0.386 41.697 42.059 0.040 0.000 0.896 288 L HN 0.543 nan 8.230 nan 0.000 0.434 289 V N -0.238 119.647 119.914 -0.049 0.000 3.078 289 V HA -0.222 3.898 4.120 -0.001 0.000 0.265 289 V C 1.905 177.982 176.094 -0.028 0.000 1.122 289 V CA 1.550 63.842 62.300 -0.012 0.000 1.141 289 V CB -0.276 31.538 31.823 -0.015 0.000 0.735 289 V HN 0.462 nan 8.190 nan 0.000 0.498 290 E N -1.928 118.197 120.200 -0.126 0.000 2.481 290 E HA 0.086 4.435 4.350 -0.001 0.000 0.198 290 E C -0.037 176.498 176.600 -0.107 0.000 1.027 290 E CA -0.207 56.120 56.400 -0.123 0.000 0.900 290 E CB 0.269 29.864 29.700 -0.175 0.000 0.993 290 E HN 0.603 nan 8.360 nan 0.000 0.482 291 H N 1.039 120.114 119.070 0.008 0.000 2.620 291 H HA 0.104 4.660 4.556 -0.001 0.000 0.313 291 H C 0.750 176.072 175.328 -0.011 0.000 1.075 291 H CA 0.128 56.165 56.048 -0.018 0.000 1.397 291 H CB 1.314 31.064 29.762 -0.020 0.000 1.446 291 H HN 0.121 nan 8.280 nan 0.000 0.493 292 Q N 2.665 122.505 119.800 0.067 0.000 2.167 292 Q HA -0.094 4.245 4.340 -0.001 0.000 0.202 292 Q C 1.888 177.852 176.000 -0.060 0.000 0.970 292 Q CA 1.138 56.935 55.803 -0.009 0.000 0.855 292 Q CB 0.237 28.875 28.738 -0.167 0.000 0.911 292 Q HN 0.809 nan 8.270 nan 0.000 0.438 293 A N 0.884 123.651 122.820 -0.089 0.000 1.940 293 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 293 A C 1.889 179.520 177.584 0.079 0.000 1.176 293 A CA 1.107 53.113 52.037 -0.053 0.000 0.631 293 A CB -0.485 18.473 19.000 -0.072 0.000 0.814 293 A HN 0.327 nan 8.150 nan 0.000 0.446 294 I N -0.095 120.541 120.570 0.111 0.000 2.202 294 I HA -0.157 4.013 4.170 -0.001 0.000 0.242 294 I C 2.629 178.835 176.117 0.149 0.000 1.091 294 I CA 1.654 63.031 61.300 0.128 0.000 1.368 294 I CB -1.587 36.494 38.000 0.136 0.000 1.058 294 I HN 0.229 nan 8.210 nan 0.000 0.410 295 S N 1.088 116.892 115.700 0.173 0.000 2.365 295 S HA -0.200 4.270 4.470 -0.001 0.000 0.225 295 S C 1.929 176.673 174.600 0.240 0.000 1.039 295 S CA 1.510 59.826 58.200 0.193 0.000 1.033 295 S CB -0.458 62.877 63.200 0.226 0.000 0.887 295 S HN 0.239 nan 8.310 nan 0.000 0.447 296 F N 1.470 121.432 119.950 0.019 0.000 2.126 296 F HA -0.078 4.448 4.527 -0.001 0.000 0.299 296 F C 2.335 178.144 175.800 0.015 0.000 1.096 296 F CA 0.852 58.861 58.000 0.014 0.000 1.255 296 F CB -0.778 38.228 39.000 0.010 0.000 0.997 296 F HN 0.170 nan 8.300 nan 0.000 0.479 297 M N -1.049 118.674 119.600 0.206 0.000 2.065 297 M HA -0.255 4.225 4.480 -0.001 0.000 0.259 297 M C 2.195 178.538 176.300 0.071 0.000 1.071 297 M CA 1.469 56.835 55.300 0.111 0.000 1.109 297 M CB -0.740 31.914 32.600 0.090 0.000 1.313 297 M HN 0.068 nan 8.290 nan 0.000 0.408 298 L N 0.307 121.575 121.223 0.074 0.000 2.043 298 L HA -0.209 4.130 4.340 -0.001 0.000 0.212 298 L C 2.712 179.594 176.870 0.019 0.000 1.075 298 L CA 2.232 57.101 54.840 0.048 0.000 0.752 298 L CB -1.496 40.595 42.059 0.055 0.000 0.891 298 L HN 0.307 nan 8.230 nan 0.000 0.432 299 A N -1.000 121.817 122.820 -0.004 0.000 1.845 299 A HA -0.256 4.064 4.320 -0.001 0.000 0.215 299 A C 2.295 179.853 177.584 -0.043 0.000 1.195 299 A CA 1.832 53.834 52.037 -0.059 0.000 0.616 299 A CB -0.656 18.244 19.000 -0.167 0.000 0.832 299 A HN 0.452 nan 8.150 nan 0.000 0.443 300 E N -0.813 119.370 120.200 -0.029 0.000 2.118 300 E HA -0.206 4.143 4.350 -0.001 0.000 0.195 300 E C 2.108 178.712 176.600 0.006 0.000 0.992 300 E CA 1.648 58.042 56.400 -0.010 0.000 0.804 300 E CB -0.258 29.450 29.700 0.014 0.000 0.741 300 E HN 0.674 nan 8.360 nan 0.000 0.458 301 M N -0.016 119.590 119.600 0.010 0.000 2.080 301 M HA -0.223 4.256 4.480 -0.001 0.000 0.260 301 M C 2.450 178.758 176.300 0.013 0.000 1.068 301 M CA 1.736 57.042 55.300 0.010 0.000 1.109 301 M CB -0.289 32.320 32.600 0.016 0.000 1.342 301 M HN 0.157 nan 8.290 nan 0.000 0.405 302 A N -0.028 122.797 122.820 0.009 0.000 1.883 302 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 302 A C 2.197 179.784 177.584 0.005 0.000 1.186 302 A CA 1.955 53.996 52.037 0.006 0.000 0.624 302 A CB -0.754 18.242 19.000 -0.005 0.000 0.822 302 A HN 0.504 nan 8.150 nan 0.000 0.444 303 M N -0.688 118.912 119.600 -0.001 0.000 2.089 303 M HA -0.280 4.199 4.480 -0.001 0.000 0.257 303 M C 2.021 178.357 176.300 0.061 0.000 1.071 303 M CA 2.308 57.614 55.300 0.010 0.000 1.096 303 M CB -0.185 32.417 32.600 0.003 0.000 1.330 303 M HN 0.396 nan 8.290 nan 0.000 0.403 304 K N -1.322 119.122 120.400 0.074 0.000 2.116 304 K HA -0.033 4.287 4.320 -0.001 0.000 0.203 304 K C 1.701 178.383 176.600 0.135 0.000 1.052 304 K CA 1.097 57.466 56.287 0.136 0.000 0.952 304 K CB -0.056 32.456 32.500 0.019 0.000 0.729 304 K HN 0.200 nan 8.250 nan 0.000 0.446 305 V N 2.040 121.993 119.914 0.065 0.000 2.307 305 V HA -0.216 3.903 4.120 -0.001 0.000 0.245 305 V C 2.153 178.282 176.094 0.058 0.000 1.045 305 V CA 1.697 64.033 62.300 0.060 0.000 1.024 305 V CB -0.350 31.500 31.823 0.046 0.000 0.651 305 V HN 0.280 nan 8.190 nan 0.000 0.449 306 E N -0.019 120.198 120.200 0.029 0.000 2.077 306 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 306 E C 2.189 178.777 176.600 -0.020 0.000 0.989 306 E CA 1.084 57.472 56.400 -0.020 0.000 0.800 306 E CB -0.368 29.301 29.700 -0.051 0.000 0.746 306 E HN 0.333 nan 8.360 nan 0.000 0.452 307 L N 0.723 121.971 121.223 0.043 0.000 2.056 307 L HA -0.075 4.265 4.340 -0.001 0.000 0.207 307 L C 2.376 179.299 176.870 0.088 0.000 1.078 307 L CA 1.609 56.458 54.840 0.016 0.000 0.749 307 L CB -1.457 40.606 42.059 0.007 0.000 0.901 307 L HN 0.027 nan 8.230 nan 0.000 0.433 308 A N -0.679 122.318 122.820 0.294 0.000 1.930 308 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 308 A C 2.533 180.180 177.584 0.105 0.000 1.175 308 A CA 1.648 53.887 52.037 0.337 0.000 0.627 308 A CB -0.489 18.666 19.000 0.259 0.000 0.815 308 A HN 0.389 nan 8.150 nan 0.000 0.443 309 R N -1.206 119.277 120.500 -0.029 0.000 2.115 309 R HA 0.101 4.440 4.340 -0.001 0.000 0.226 309 R C 2.002 177.994 176.300 -0.514 0.000 1.100 309 R CA 1.320 57.226 56.100 -0.325 0.000 0.980 309 R CB -0.259 29.934 30.300 -0.178 0.000 0.875 309 R HN 0.494 nan 8.270 nan 0.000 0.445 310 M N 0.358 119.816 119.600 -0.238 0.000 2.319 310 M HA -0.102 4.377 4.480 -0.001 0.000 0.265 310 M C 2.203 178.428 176.300 -0.126 0.000 1.068 310 M CA 1.569 56.765 55.300 -0.173 0.000 1.118 310 M CB 0.154 32.681 32.600 -0.121 0.000 1.395 310 M HN 0.316 nan 8.290 nan 0.000 0.435 311 S N 0.486 116.135 115.700 -0.084 0.000 2.355 311 S HA -0.209 4.260 4.470 -0.001 0.000 0.222 311 S C 1.892 176.528 174.600 0.059 0.000 1.031 311 S CA 1.430 59.634 58.200 0.006 0.000 0.993 311 S CB -1.058 62.170 63.200 0.048 0.000 0.859 311 S HN 0.645 nan 8.310 nan 0.000 0.453 312 Y N 1.765 122.103 120.300 0.063 0.000 2.181 312 Y HA 0.068 4.617 4.550 -0.001 0.000 0.288 312 Y C 2.374 178.284 175.900 0.017 0.000 1.146 312 Y CA 1.166 59.289 58.100 0.039 0.000 1.164 312 Y CB -1.237 37.229 38.460 0.010 0.000 0.982 312 Y HN 0.255 nan 8.280 nan 0.000 0.515 313 Q N 0.154 119.777 119.800 -0.294 0.000 2.014 313 Q HA -0.273 4.066 4.340 -0.001 0.000 0.207 313 Q C 2.440 178.553 176.000 0.188 0.000 0.993 313 Q CA 2.232 57.959 55.803 -0.126 0.000 0.850 313 Q CB -0.294 28.362 28.738 -0.138 0.000 0.916 313 Q HN 0.376 nan 8.270 nan 0.000 0.417 314 R N 0.797 121.348 120.500 0.084 0.000 2.112 314 R HA -0.207 4.132 4.340 -0.001 0.000 0.242 314 R C 1.967 178.353 176.300 0.144 0.000 1.137 314 R CA 2.070 58.191 56.100 0.036 0.000 0.944 314 R CB -1.016 29.216 30.300 -0.114 0.000 0.857 314 R HN 0.308 nan 8.270 nan 0.000 0.435 315 A N -0.275 122.644 122.820 0.165 0.000 1.978 315 A HA -0.069 4.251 4.320 -0.001 0.000 0.220 315 A C 2.344 180.081 177.584 0.256 0.000 1.170 315 A CA 2.035 54.209 52.037 0.229 0.000 0.636 315 A CB -0.940 18.199 19.000 0.232 0.000 0.810 315 A HN 0.545 nan 8.150 nan 0.000 0.448 316 A N -1.947 121.054 122.820 0.301 0.000 1.935 316 A HA 0.010 4.329 4.320 -0.001 0.000 0.214 316 A C 1.954 179.780 177.584 0.402 0.000 1.178 316 A CA 1.208 53.432 52.037 0.313 0.000 0.640 316 A CB -0.767 18.394 19.000 0.268 0.000 0.825 316 A HN 0.832 nan 8.150 nan 0.000 0.447 317 W N 1.033 122.511 121.300 0.296 0.000 2.379 317 W HA -0.136 4.524 4.660 -0.001 0.000 0.307 317 W C 1.885 178.441 176.519 0.061 0.000 1.200 317 W CA 2.002 59.450 57.345 0.172 0.000 1.297 317 W CB -0.122 29.393 29.460 0.092 0.000 1.140 317 W HN 0.371 nan 8.180 nan 0.000 0.507 318 E N 0.290 120.679 120.200 0.314 0.000 2.045 318 E HA -0.328 4.021 4.350 -0.001 0.000 0.212 318 E C 2.209 178.762 176.600 -0.078 0.000 1.039 318 E CA 2.682 59.110 56.400 0.047 0.000 0.860 318 E CB -1.188 28.637 29.700 0.210 0.000 0.776 318 E HN 0.167 nan 8.360 nan 0.000 0.467 319 V N 0.910 120.846 119.914 0.038 0.000 2.255 319 V HA -0.286 3.833 4.120 -0.001 0.000 0.247 319 V C 1.480 177.543 176.094 -0.051 0.000 1.051 319 V CA 2.578 64.884 62.300 0.010 0.000 1.018 319 V CB -0.571 31.287 31.823 0.059 0.000 0.641 319 V HN 0.345 nan 8.190 nan 0.000 0.445 320 D N 0.464 120.845 120.400 -0.032 0.000 2.239 320 D HA -0.115 4.524 4.640 -0.001 0.000 0.202 320 D C 1.851 178.010 176.300 -0.235 0.000 0.993 320 D CA 1.744 55.695 54.000 -0.080 0.000 0.874 320 D CB -0.213 40.579 40.800 -0.012 0.000 0.922 320 D HN 0.692 nan 8.370 nan 0.000 0.464 321 S N -1.597 113.846 115.700 -0.429 0.000 2.602 321 S HA 0.451 4.920 4.470 -0.001 0.000 0.246 321 S C 1.494 175.917 174.600 -0.295 0.000 1.009 321 S CA 0.153 58.059 58.200 -0.489 0.000 1.052 321 S CB 0.506 63.147 63.200 -0.931 0.000 0.778 321 S HN 0.300 nan 8.310 nan 0.000 0.455 322 G N 1.934 110.625 108.800 -0.181 0.000 2.225 322 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.254 322 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.254 322 G C 0.302 175.158 174.900 -0.073 0.000 0.988 322 G CA 0.149 45.185 45.100 -0.107 0.000 0.625 322 G HN 0.827 nan 8.290 nan 0.000 0.527 323 R N 0.808 121.259 120.500 -0.082 0.000 2.691 323 R HA 0.764 5.104 4.340 -0.001 0.000 0.259 323 R C -0.116 176.199 176.300 0.024 0.000 1.048 323 R CA -0.677 55.411 56.100 -0.020 0.000 1.086 323 R CB 0.437 30.733 30.300 -0.005 0.000 1.166 323 R HN 0.122 nan 8.270 nan 0.000 0.526 324 R N 0.933 121.467 120.500 0.055 0.000 2.594 324 R HA 0.092 4.432 4.340 -0.001 0.000 0.272 324 R C 0.680 177.069 176.300 0.147 0.000 1.074 324 R CA 0.322 56.473 56.100 0.085 0.000 1.105 324 R CB -0.198 30.148 30.300 0.077 0.000 1.008 324 R HN 0.966 nan 8.270 nan 0.000 0.472 325 N N -0.598 118.205 118.700 0.172 0.000 2.194 325 N HA -0.008 4.731 4.740 -0.001 0.000 0.231 325 N C 0.757 176.419 175.510 0.252 0.000 1.247 325 N CA 0.045 53.254 53.050 0.264 0.000 0.884 325 N CB 0.013 38.638 38.487 0.229 0.000 1.146 325 N HN 0.444 nan 8.380 nan 0.000 0.516 326 T N 0.360 115.027 114.554 0.188 0.000 2.649 326 T HA -0.271 4.078 4.350 -0.001 0.000 0.268 326 T C 1.292 176.094 174.700 0.171 0.000 1.036 326 T CA 2.012 64.206 62.100 0.156 0.000 1.157 326 T CB -0.574 68.374 68.868 0.133 0.000 0.861 326 T HN 0.499 nan 8.240 nan 0.000 0.445 327 Y N 0.350 120.665 120.300 0.026 0.000 2.133 327 Y HA -0.186 4.363 4.550 -0.001 0.000 0.287 327 Y C 2.272 178.126 175.900 -0.078 0.000 1.134 327 Y CA 1.179 59.238 58.100 -0.069 0.000 1.133 327 Y CB -0.379 37.968 38.460 -0.188 0.000 0.987 327 Y HN 0.169 nan 8.280 nan 0.000 0.502 328 Y N 0.118 120.473 120.300 0.091 0.000 2.242 328 Y HA -0.138 4.411 4.550 -0.001 0.000 0.291 328 Y C 2.655 178.553 175.900 -0.003 0.000 1.137 328 Y CA 1.142 59.223 58.100 -0.032 0.000 1.181 328 Y CB -1.047 37.487 38.460 0.123 0.000 0.989 328 Y HN 0.289 nan 8.280 nan 0.000 0.527 329 A N -0.919 122.021 122.820 0.200 0.000 1.902 329 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 329 A C 2.469 180.095 177.584 0.069 0.000 1.181 329 A CA 2.084 54.203 52.037 0.137 0.000 0.623 329 A CB -1.027 18.046 19.000 0.121 0.000 0.818 329 A HN 0.366 nan 8.150 nan 0.000 0.443 330 S N -0.407 115.309 115.700 0.027 0.000 2.368 330 S HA -0.064 4.405 4.470 -0.001 0.000 0.224 330 S C 1.812 176.400 174.600 -0.021 0.000 1.029 330 S CA 1.169 59.364 58.200 -0.009 0.000 0.988 330 S CB -0.470 62.722 63.200 -0.013 0.000 0.838 330 S HN 0.525 nan 8.310 nan 0.000 0.462 331 I N 1.636 122.154 120.570 -0.086 0.000 2.118 331 I HA -0.301 3.868 4.170 -0.001 0.000 0.241 331 I C 2.719 178.870 176.117 0.057 0.000 1.070 331 I CA 1.383 62.639 61.300 -0.074 0.000 1.327 331 I CB -0.610 37.267 38.000 -0.206 0.000 1.034 331 I HN 0.285 nan 8.210 nan 0.000 0.405 332 A N 0.370 123.244 122.820 0.091 0.000 1.883 332 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 332 A C 2.398 180.079 177.584 0.161 0.000 1.186 332 A CA 1.628 53.761 52.037 0.159 0.000 0.624 332 A CB -0.505 18.607 19.000 0.186 0.000 0.822 332 A HN 0.226 nan 8.150 nan 0.000 0.444 333 K N -0.155 120.310 120.400 0.108 0.000 1.991 333 K HA -0.152 4.167 4.320 -0.001 0.000 0.212 333 K C 2.321 178.976 176.600 0.092 0.000 1.049 333 K CA 1.623 57.962 56.287 0.088 0.000 0.932 333 K CB -0.809 31.713 32.500 0.037 0.000 0.717 333 K HN 0.378 nan 8.250 nan 0.000 0.441 334 A N 0.731 123.598 122.820 0.080 0.000 1.869 334 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 334 A C 2.239 179.889 177.584 0.110 0.000 1.203 334 A CA 1.982 54.066 52.037 0.078 0.000 0.638 334 A CB -1.029 18.011 19.000 0.067 0.000 0.831 334 A HN 0.430 nan 8.150 nan 0.000 0.450 335 F N 0.585 120.539 119.950 0.007 0.000 2.113 335 F HA 0.006 4.532 4.527 -0.001 0.000 0.297 335 F C 2.607 178.416 175.800 0.015 0.000 1.103 335 F CA 1.253 59.257 58.000 0.007 0.000 1.248 335 F CB -0.538 38.463 39.000 0.002 0.000 0.999 335 F HN 0.256 nan 8.300 nan 0.000 0.475 336 A N 0.317 123.190 122.820 0.088 0.000 1.883 336 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 336 A C 2.508 180.032 177.584 -0.099 0.000 1.186 336 A CA 1.777 53.800 52.037 -0.022 0.000 0.624 336 A CB -1.856 17.197 19.000 0.088 0.000 0.822 336 A HN 0.516 nan 8.150 nan 0.000 0.444 337 G N -0.297 108.495 108.800 -0.014 0.000 2.469 337 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.219 337 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.219 337 G C 1.208 176.087 174.900 -0.035 0.000 1.150 337 G CA 1.341 46.463 45.100 0.036 0.000 0.763 337 G HN 0.508 nan 8.290 nan 0.000 0.561 338 D N 0.605 120.939 120.400 -0.110 0.000 2.120 338 D HA -0.071 4.568 4.640 -0.001 0.000 0.202 338 D C 2.628 178.815 176.300 -0.188 0.000 0.972 338 D CA 1.132 55.054 54.000 -0.129 0.000 0.837 338 D CB -0.271 40.447 40.800 -0.138 0.000 0.989 338 D HN 0.534 nan 8.370 nan 0.000 0.469 339 I N -0.693 119.674 120.570 -0.338 0.000 2.614 339 I HA -0.031 4.138 4.170 -0.001 0.000 0.258 339 I C 2.164 178.170 176.117 -0.184 0.000 1.189 339 I CA 0.918 62.028 61.300 -0.316 0.000 1.462 339 I CB -0.209 37.495 38.000 -0.494 0.000 1.092 339 I HN -0.175 nan 8.210 nan 0.000 0.442 340 A N 2.148 124.872 122.820 -0.161 0.000 1.851 340 A HA -0.258 4.061 4.320 -0.001 0.000 0.216 340 A C 2.083 179.623 177.584 -0.074 0.000 1.195 340 A CA 2.484 54.447 52.037 -0.123 0.000 0.622 340 A CB -1.318 17.590 19.000 -0.154 0.000 0.831 340 A HN 0.581 nan 8.150 nan 0.000 0.444 341 N N -0.300 118.369 118.700 -0.051 0.000 2.205 341 N HA -0.164 4.576 4.740 -0.001 0.000 0.186 341 N C 1.924 177.409 175.510 -0.041 0.000 1.015 341 N CA 1.693 54.724 53.050 -0.031 0.000 0.862 341 N CB -0.218 38.255 38.487 -0.023 0.000 0.986 341 N HN 0.697 nan 8.380 nan 0.000 0.429 342 Q N -0.369 119.394 119.800 -0.063 0.000 2.137 342 Q HA 0.027 4.366 4.340 -0.001 0.000 0.198 342 Q C 1.638 177.613 176.000 -0.041 0.000 0.960 342 Q CA 0.663 56.435 55.803 -0.052 0.000 0.847 342 Q CB 0.005 28.703 28.738 -0.068 0.000 0.915 342 Q HN 0.253 nan 8.270 nan 0.000 0.448 343 L N 0.547 121.740 121.223 -0.051 0.000 2.083 343 L HA -0.166 4.173 4.340 -0.001 0.000 0.209 343 L C 2.277 179.132 176.870 -0.025 0.000 1.083 343 L CA 1.684 56.503 54.840 -0.035 0.000 0.752 343 L CB -0.688 41.347 42.059 -0.040 0.000 0.899 343 L HN 0.192 nan 8.230 nan 0.000 0.433 344 A N -1.714 121.089 122.820 -0.028 0.000 1.845 344 A HA -0.261 4.059 4.320 -0.001 0.000 0.215 344 A C 2.452 180.029 177.584 -0.011 0.000 1.195 344 A CA 2.325 54.349 52.037 -0.021 0.000 0.616 344 A CB -1.246 17.744 19.000 -0.017 0.000 0.832 344 A HN 0.375 nan 8.150 nan 0.000 0.443 345 T N -0.566 113.984 114.554 -0.007 0.000 2.737 345 T HA -0.192 4.157 4.350 -0.001 0.000 0.269 345 T C 1.523 176.223 174.700 -0.001 0.000 1.040 345 T CA 2.092 64.192 62.100 0.001 0.000 1.142 345 T CB -0.617 68.251 68.868 -0.000 0.000 0.861 345 T HN 0.453 nan 8.240 nan 0.000 0.456 346 D N 0.474 120.872 120.400 -0.003 0.000 2.144 346 D HA 0.079 4.718 4.640 -0.001 0.000 0.200 346 D C 2.333 178.635 176.300 0.005 0.000 0.978 346 D CA 1.164 55.166 54.000 0.004 0.000 0.833 346 D CB -0.504 40.300 40.800 0.007 0.000 0.961 346 D HN 0.530 nan 8.370 nan 0.000 0.470 347 A N 0.574 123.391 122.820 -0.005 0.000 1.898 347 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 347 A C 2.511 180.075 177.584 -0.035 0.000 1.181 347 A CA 1.107 53.136 52.037 -0.014 0.000 0.620 347 A CB -0.724 18.263 19.000 -0.022 0.000 0.819 347 A HN 0.130 nan 8.150 nan 0.000 0.442 348 V N -0.085 119.814 119.914 -0.024 0.000 2.295 348 V HA -0.303 3.816 4.120 -0.001 0.000 0.246 348 V C 2.751 178.828 176.094 -0.028 0.000 1.049 348 V CA 2.407 64.693 62.300 -0.024 0.000 1.024 348 V CB -0.822 31.018 31.823 0.029 0.000 0.648 348 V HN 0.705 nan 8.190 nan 0.000 0.447 349 Q N 0.164 119.958 119.800 -0.009 0.000 2.061 349 Q HA -0.200 4.139 4.340 -0.001 0.000 0.204 349 Q C 1.975 177.980 176.000 0.008 0.000 0.984 349 Q CA 2.065 57.865 55.803 -0.004 0.000 0.846 349 Q CB -0.363 28.376 28.738 0.002 0.000 0.902 349 Q HN 0.554 nan 8.270 nan 0.000 0.421 350 I N -0.158 120.424 120.570 0.020 0.000 2.361 350 I HA -0.214 3.956 4.170 -0.001 0.000 0.251 350 I C 1.576 177.744 176.117 0.085 0.000 1.133 350 I CA 0.958 62.302 61.300 0.074 0.000 1.413 350 I CB -0.759 37.300 38.000 0.099 0.000 1.073 350 I HN 0.246 nan 8.210 nan 0.000 0.424 351 L N 0.072 121.229 121.223 -0.110 0.000 2.591 351 L HA 0.232 4.572 4.340 -0.001 0.000 0.228 351 L C 1.455 178.177 176.870 -0.248 0.000 1.133 351 L CA 0.824 55.400 54.840 -0.439 0.000 0.880 351 L CB -0.514 41.089 42.059 -0.760 0.000 1.033 351 L HN 0.425 nan 8.230 nan 0.000 0.450 352 G N -0.501 108.254 108.800 -0.075 0.000 2.527 352 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.268 352 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.268 352 G C 0.945 175.821 174.900 -0.041 0.000 1.175 352 G CA -0.034 45.052 45.100 -0.024 0.000 0.962 352 G HN 0.328 nan 8.290 nan 0.000 0.560 353 G N -0.129 108.660 108.800 -0.019 0.000 2.394 353 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.215 353 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.215 353 G C 1.526 176.433 174.900 0.013 0.000 1.165 353 G CA 1.600 46.718 45.100 0.029 0.000 0.784 353 G HN 0.707 nan 8.290 nan 0.000 0.535 354 N N 1.293 119.916 118.700 -0.128 0.000 2.132 354 N HA -0.126 4.613 4.740 -0.001 0.000 0.191 354 N C 2.266 177.583 175.510 -0.322 0.000 1.015 354 N CA 1.397 54.237 53.050 -0.350 0.000 0.864 354 N CB -0.709 37.233 38.487 -0.908 0.000 1.006 354 N HN 0.327 nan 8.380 nan 0.000 0.430 355 G N -0.927 107.717 108.800 -0.260 0.000 2.443 355 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.219 355 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.219 355 G C 1.140 176.065 174.900 0.042 0.000 1.131 355 G CA 0.033 45.043 45.100 -0.149 0.000 0.775 355 G HN 0.320 nan 8.290 nan 0.000 0.547 356 F N 1.199 121.103 119.950 -0.077 0.000 2.797 356 F HA 0.319 4.845 4.527 -0.001 0.000 0.302 356 F C 0.817 176.615 175.800 -0.003 0.000 1.130 356 F CA -0.882 57.098 58.000 -0.034 0.000 1.387 356 F CB 0.097 39.079 39.000 -0.030 0.000 1.107 356 F HN 0.006 nan 8.300 nan 0.000 0.577 357 N N 0.292 119.000 118.700 0.013 0.000 2.438 357 N HA 0.014 4.753 4.740 -0.001 0.000 0.282 357 N C 1.126 176.639 175.510 0.006 0.000 1.037 357 N CA 0.729 53.779 53.050 0.000 0.000 0.942 357 N CB 1.602 40.169 38.487 0.133 0.000 1.136 357 N HN 0.171 nan 8.380 nan 0.000 0.481 358 T N 0.157 114.675 114.554 -0.060 0.000 3.051 358 T HA -0.032 4.317 4.350 -0.001 0.000 0.269 358 T C 0.869 175.547 174.700 -0.037 0.000 1.127 358 T CA 1.013 63.079 62.100 -0.056 0.000 1.107 358 T CB -0.065 68.756 68.868 -0.078 0.000 0.898 358 T HN 0.598 nan 8.240 nan 0.000 0.517 359 E N -0.223 119.961 120.200 -0.027 0.000 2.502 359 E HA 0.112 4.462 4.350 -0.001 0.000 0.194 359 E C -0.620 175.816 176.600 -0.273 0.000 1.062 359 E CA 0.062 56.385 56.400 -0.128 0.000 0.867 359 E CB 0.099 29.709 29.700 -0.150 0.000 0.888 359 E HN 0.645 nan 8.360 nan 0.000 0.510 360 Y N 0.359 120.623 120.300 -0.060 0.000 2.496 360 Y HA 0.173 4.723 4.550 -0.001 0.000 0.331 360 Y C -1.409 174.447 175.900 -0.073 0.000 1.140 360 Y CA -2.370 55.688 58.100 -0.070 0.000 1.166 360 Y CB 1.056 39.454 38.460 -0.103 0.000 1.249 360 Y HN -0.136 nan 8.280 nan 0.000 0.479 361 P HA -0.076 nan 4.420 nan 0.000 0.241 361 P C 0.876 178.175 177.300 -0.002 0.000 1.191 361 P CA 0.987 64.096 63.100 0.014 0.000 0.771 361 P CB 0.221 31.920 31.700 -0.002 0.000 0.929 362 V N -1.948 117.972 119.914 0.010 0.000 2.685 362 V HA 0.009 4.128 4.120 -0.001 0.000 0.244 362 V C 2.486 178.570 176.094 -0.017 0.000 1.054 362 V CA 1.064 63.352 62.300 -0.021 0.000 1.076 362 V CB -1.147 30.649 31.823 -0.044 0.000 0.725 362 V HN -0.005 nan 8.190 nan 0.000 0.467 363 E N 2.043 122.236 120.200 -0.012 0.000 2.160 363 E HA -0.342 4.008 4.350 -0.001 0.000 0.195 363 E C 2.143 178.724 176.600 -0.031 0.000 0.991 363 E CA 2.133 58.519 56.400 -0.024 0.000 0.810 363 E CB -0.244 29.416 29.700 -0.067 0.000 0.742 363 E HN 0.767 nan 8.360 nan 0.000 0.466 364 K N 0.476 120.858 120.400 -0.030 0.000 2.097 364 K HA -0.124 4.195 4.320 -0.001 0.000 0.206 364 K C 2.520 179.108 176.600 -0.019 0.000 1.049 364 K CA 1.202 57.472 56.287 -0.027 0.000 0.933 364 K CB -0.152 32.334 32.500 -0.024 0.000 0.717 364 K HN 0.181 nan 8.250 nan 0.000 0.442 365 L N 0.444 121.654 121.223 -0.021 0.000 2.042 365 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 365 L C 2.744 179.611 176.870 -0.005 0.000 1.076 365 L CA 1.280 56.110 54.840 -0.017 0.000 0.749 365 L CB -0.416 41.623 42.059 -0.035 0.000 0.893 365 L HN 0.269 nan 8.230 nan 0.000 0.432 366 M N -0.568 119.029 119.600 -0.007 0.000 2.117 366 M HA -0.214 4.265 4.480 -0.001 0.000 0.262 366 M C 2.526 178.823 176.300 -0.005 0.000 1.065 366 M CA 1.839 57.139 55.300 -0.000 0.000 1.114 366 M CB -0.265 32.342 32.600 0.012 0.000 1.361 366 M HN 0.165 nan 8.290 nan 0.000 0.408 367 R N -0.101 120.390 120.500 -0.015 0.000 2.115 367 R HA -0.102 4.237 4.340 -0.001 0.000 0.226 367 R C 1.632 177.912 176.300 -0.033 0.000 1.100 367 R CA 1.125 57.208 56.100 -0.028 0.000 0.980 367 R CB -0.250 30.029 30.300 -0.035 0.000 0.875 367 R HN 0.352 nan 8.270 nan 0.000 0.445 368 D N 0.656 121.050 120.400 -0.010 0.000 2.144 368 D HA -0.085 4.554 4.640 -0.001 0.000 0.200 368 D C 1.752 178.081 176.300 0.048 0.000 0.978 368 D CA 1.437 55.441 54.000 0.007 0.000 0.833 368 D CB -0.129 40.703 40.800 0.053 0.000 0.961 368 D HN 0.247 nan 8.370 nan 0.000 0.470 369 A N 0.758 123.625 122.820 0.079 0.000 1.968 369 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 369 A C 2.036 179.698 177.584 0.130 0.000 1.169 369 A CA 1.306 53.453 52.037 0.184 0.000 0.638 369 A CB -0.265 18.785 19.000 0.083 0.000 0.812 369 A HN 0.017 nan 8.150 nan 0.000 0.446 370 K N 0.200 120.603 120.400 0.005 0.000 2.059 370 K HA -0.202 4.118 4.320 -0.001 0.000 0.212 370 K C 1.481 178.001 176.600 -0.133 0.000 1.050 370 K CA 1.707 57.962 56.287 -0.053 0.000 0.927 370 K CB -0.738 31.717 32.500 -0.076 0.000 0.714 370 K HN 0.314 nan 8.250 nan 0.000 0.447 371 I N 0.440 120.842 120.570 -0.279 0.000 2.290 371 I HA -0.306 3.863 4.170 -0.001 0.000 0.253 371 I C 1.411 177.219 176.117 -0.515 0.000 1.112 371 I CA 1.606 62.550 61.300 -0.593 0.000 1.377 371 I CB -0.447 36.982 38.000 -0.953 0.000 1.060 371 I HN 0.288 nan 8.210 nan 0.000 0.428 372 Y N -0.311 119.927 120.300 -0.102 0.000 2.616 372 Y HA -0.060 4.489 4.550 -0.001 0.000 0.296 372 Y C 2.005 177.929 175.900 0.040 0.000 1.154 372 Y CA 0.580 58.720 58.100 0.068 0.000 1.325 372 Y CB -0.163 38.326 38.460 0.048 0.000 1.007 372 Y HN 0.343 nan 8.280 nan 0.000 0.542 373 Q N -0.992 118.853 119.800 0.075 0.000 2.179 373 Q HA 0.244 4.583 4.340 -0.001 0.000 0.213 373 Q C 0.839 176.835 176.000 -0.005 0.000 0.833 373 Q CA 0.070 55.896 55.803 0.038 0.000 0.990 373 Q CB 0.681 29.424 28.738 0.009 0.000 1.132 373 Q HN 0.549 nan 8.270 nan 0.000 0.493 374 I N -0.910 119.640 120.570 -0.033 0.000 3.623 374 I HA 0.058 4.227 4.170 -0.001 0.000 0.253 374 I C 0.345 176.485 176.117 0.038 0.000 1.144 374 I CA -0.369 60.897 61.300 -0.057 0.000 1.461 374 I CB 0.099 38.000 38.000 -0.164 0.000 1.575 374 I HN 0.043 nan 8.210 nan 0.000 0.445 375 Y N 2.366 122.568 120.300 -0.165 0.000 2.330 375 Y HA 0.325 4.874 4.550 -0.001 0.000 0.341 375 Y C 0.726 176.549 175.900 -0.128 0.000 1.278 375 Y CA -2.060 55.955 58.100 -0.142 0.000 1.453 375 Y CB -0.350 38.022 38.460 -0.147 0.000 1.342 375 Y HN 0.386 nan 8.280 nan 0.000 0.590 376 E N 0.093 120.251 120.200 -0.071 0.000 2.637 376 E HA -0.088 4.262 4.350 -0.001 0.000 0.265 376 E C 0.136 176.582 176.600 -0.256 0.000 1.073 376 E CA 1.211 57.463 56.400 -0.245 0.000 0.778 376 E CB -1.528 27.941 29.700 -0.385 0.000 1.362 376 E HN 1.743 nan 8.360 nan 0.000 0.413 377 G N 0.090 108.790 108.800 -0.167 0.000 3.391 377 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.683 377 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.683 377 G C 0.074 174.935 174.900 -0.064 0.000 1.071 377 G CA 0.071 45.080 45.100 -0.153 0.000 0.904 377 G HN 0.914 nan 8.290 nan 0.000 0.452 378 T N 0.667 115.200 114.554 -0.035 0.000 2.855 378 T HA 0.522 4.871 4.350 -0.001 0.000 0.314 378 T C 2.016 176.710 174.700 -0.010 0.000 1.077 378 T CA 0.753 62.844 62.100 -0.014 0.000 1.095 378 T CB 1.143 70.001 68.868 -0.017 0.000 0.987 378 T HN 1.328 nan 8.240 nan 0.000 0.546 379 S N 2.071 117.771 115.700 0.001 0.000 2.393 379 S HA -0.305 4.164 4.470 -0.001 0.000 0.235 379 S C 2.153 176.755 174.600 0.003 0.000 1.061 379 S CA 2.113 60.317 58.200 0.006 0.000 1.129 379 S CB -0.760 62.443 63.200 0.005 0.000 1.011 379 S HN 0.843 nan 8.310 nan 0.000 0.436 380 Q N 0.487 120.287 119.800 0.001 0.000 2.061 380 Q HA -0.025 4.315 4.340 -0.001 0.000 0.204 380 Q C 2.198 178.200 176.000 0.003 0.000 0.984 380 Q CA 1.186 56.991 55.803 0.005 0.000 0.846 380 Q CB -0.433 28.308 28.738 0.006 0.000 0.902 380 Q HN 0.416 nan 8.270 nan 0.000 0.421 381 I N 0.604 121.170 120.570 -0.007 0.000 2.226 381 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 381 I C 2.049 178.155 176.117 -0.018 0.000 1.100 381 I CA 1.313 62.605 61.300 -0.013 0.000 1.374 381 I CB -1.278 36.701 38.000 -0.035 0.000 1.057 381 I HN 0.303 nan 8.210 nan 0.000 0.413 382 Q N 0.573 120.358 119.800 -0.025 0.000 2.112 382 Q HA -0.213 4.126 4.340 -0.001 0.000 0.206 382 Q C 2.368 178.368 176.000 0.001 0.000 0.987 382 Q CA 1.583 57.375 55.803 -0.019 0.000 0.858 382 Q CB -0.512 28.219 28.738 -0.011 0.000 0.905 382 Q HN 0.544 nan 8.270 nan 0.000 0.420 383 R N 0.025 120.530 120.500 0.009 0.000 2.073 383 R HA 0.018 4.357 4.340 -0.001 0.000 0.229 383 R C 2.605 178.923 176.300 0.030 0.000 1.120 383 R CA 0.568 56.679 56.100 0.017 0.000 0.967 383 R CB -0.340 29.970 30.300 0.016 0.000 0.862 383 R HN 0.192 nan 8.270 nan 0.000 0.436 384 L N 0.702 121.942 121.223 0.028 0.000 1.978 384 L HA -0.291 4.048 4.340 -0.001 0.000 0.218 384 L C 2.438 179.340 176.870 0.054 0.000 1.075 384 L CA 1.700 56.564 54.840 0.040 0.000 0.767 384 L CB -0.631 41.450 42.059 0.035 0.000 0.890 384 L HN 0.198 nan 8.230 nan 0.000 0.434 385 I N -0.863 119.733 120.570 0.044 0.000 2.145 385 I HA -0.332 3.837 4.170 -0.001 0.000 0.244 385 I C 2.470 178.645 176.117 0.098 0.000 1.075 385 I CA 1.462 62.798 61.300 0.060 0.000 1.332 385 I CB -0.439 37.580 38.000 0.031 0.000 1.033 385 I HN 0.054 nan 8.210 nan 0.000 0.410 386 V N 0.941 120.904 119.914 0.082 0.000 2.261 386 V HA -0.329 3.791 4.120 -0.001 0.000 0.246 386 V C 2.738 178.952 176.094 0.200 0.000 1.047 386 V CA 2.085 64.463 62.300 0.130 0.000 1.015 386 V CB -1.171 30.663 31.823 0.018 0.000 0.642 386 V HN 0.533 nan 8.190 nan 0.000 0.446 387 A N -0.104 122.796 122.820 0.134 0.000 1.917 387 A HA -0.288 4.031 4.320 -0.001 0.000 0.219 387 A C 2.450 180.134 177.584 0.166 0.000 1.182 387 A CA 2.237 54.365 52.037 0.152 0.000 0.633 387 A CB -0.611 18.443 19.000 0.091 0.000 0.819 387 A HN 0.435 nan 8.150 nan 0.000 0.448 388 R N -0.555 120.020 120.500 0.126 0.000 2.062 388 R HA -0.132 4.207 4.340 -0.001 0.000 0.231 388 R C 1.992 178.355 176.300 0.105 0.000 1.136 388 R CA 1.632 57.793 56.100 0.101 0.000 0.948 388 R CB -0.416 29.935 30.300 0.086 0.000 0.845 388 R HN 0.502 nan 8.270 nan 0.000 0.430 389 E N 0.133 120.413 120.200 0.133 0.000 2.048 389 E HA -0.262 4.087 4.350 -0.001 0.000 0.202 389 E C 1.906 178.539 176.600 0.054 0.000 1.021 389 E CA 1.902 58.367 56.400 0.107 0.000 0.825 389 E CB -0.861 28.968 29.700 0.215 0.000 0.756 389 E HN 0.545 nan 8.360 nan 0.000 0.454 390 H N 0.467 119.584 119.070 0.078 0.000 2.319 390 H HA -0.034 4.521 4.556 -0.001 0.000 0.299 390 H C 2.198 177.620 175.328 0.158 0.000 1.092 390 H CA 1.922 58.019 56.048 0.082 0.000 1.302 390 H CB -0.424 29.441 29.762 0.172 0.000 1.373 390 H HN 0.093 nan 8.280 nan 0.000 0.497 391 I N -0.061 120.495 120.570 -0.023 0.000 2.454 391 I HA -0.205 3.964 4.170 -0.001 0.000 0.254 391 I C 1.731 177.869 176.117 0.035 0.000 1.156 391 I CA 1.694 62.955 61.300 -0.066 0.000 1.433 391 I CB -0.209 37.804 38.000 0.022 0.000 1.082 391 I HN 0.380 nan 8.210 nan 0.000 0.432 392 D N 0.360 120.769 120.400 0.016 0.000 2.269 392 D HA -0.105 4.535 4.640 -0.001 0.000 0.208 392 D C 1.687 177.972 176.300 -0.026 0.000 0.963 392 D CA 0.490 54.496 54.000 0.010 0.000 0.864 392 D CB 0.272 41.075 40.800 0.005 0.000 0.936 392 D HN -0.027 nan 8.370 nan 0.000 0.505 393 K N -0.554 119.797 120.400 -0.082 0.000 2.632 393 K HA -0.012 4.307 4.320 -0.001 0.000 0.196 393 K C 0.167 176.540 176.600 -0.379 0.000 1.023 393 K CA 0.388 56.529 56.287 -0.243 0.000 1.098 393 K CB -0.811 31.456 32.500 -0.388 0.000 0.862 393 K HN 0.528 nan 8.250 nan 0.000 0.504 394 Y N -0.793 119.427 120.300 -0.133 0.000 2.619 394 Y HA 0.345 4.894 4.550 -0.001 0.000 0.273 394 Y C 0.899 176.763 175.900 -0.059 0.000 1.175 394 Y CA 0.382 58.423 58.100 -0.098 0.000 1.157 394 Y CB 0.987 39.375 38.460 -0.120 0.000 1.329 394 Y HN 0.172 nan 8.280 nan 0.000 0.503 395 K N 0.000 120.460 120.400 0.099 0.000 2.780 395 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 395 K CA 0.000 56.315 56.287 0.046 0.000 0.838 395 K CB 0.000 32.525 32.500 0.042 0.000 1.064 395 K HN 0.000 nan 8.250 nan 0.000 0.543