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 2w5x_1_A DATA FIRST_RESID 30 DATA SEQUENCE QLKTPKNVIL LISDGAGLSQ ISSTFYFKSG TPNYTQFKNI GLIKTSSSRE DATA SEQUENCE DVTDXASGAT AFSCGIKTYN AAIGVADDST AVKSIVEIAA LNNIKTGVVA DATA SEQUENCE TSSITEATPA SFYAHALNRG LEEEIAMDMT ESDLDFFAGG GLNYFTKRKD DATA SEQUENCE KKDVLAILKG NQFTINTTAL TDFSSIASNR KMGFLLADEA MPTMEKGRGN DATA SEQUENCE FLSAATDLAI QFLSKDNSAF FIMSEGSQID WGGHANNASY LISEINDFDD DATA SEQUENCE AIGTALAFAK KDGNTLVIVT SDHETGGFTL AAKKNKREDG SEYSDYTEIG DATA SEQUENCE PTFSTGGHSA TLIPVFAYGP GSEEFIGIYE NNEIFHKILK VTKWNQ 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 30 Q HA 0.000 nan 4.340 nan 0.000 0.214 30 Q C 0.000 175.981 176.000 -0.032 0.000 1.003 30 Q CA 0.000 55.787 55.803 -0.027 0.000 1.022 30 Q CB 0.000 28.721 28.738 -0.029 0.000 1.108 31 L N -1.385 119.817 121.223 -0.035 0.000 2.406 31 L HA 0.901 5.259 4.340 0.031 0.000 0.270 31 L C -1.281 175.563 176.870 -0.043 0.000 0.982 31 L CA -0.692 54.124 54.840 -0.039 0.000 0.843 31 L CB 1.886 43.923 42.059 -0.036 0.000 1.225 31 L HN 0.541 nan 8.230 nan 0.000 0.412 32 K N 1.807 122.177 120.400 -0.049 0.000 2.556 32 K HA 0.547 4.886 4.320 0.031 0.000 0.274 32 K C -1.340 175.223 176.600 -0.062 0.000 0.966 32 K CA -0.490 55.765 56.287 -0.053 0.000 0.865 32 K CB 2.839 35.304 32.500 -0.058 0.000 1.444 32 K HN 0.722 nan 8.250 nan 0.000 0.433 33 T N 4.280 118.796 114.554 -0.063 0.000 2.770 33 T HA 0.382 4.751 4.350 0.031 0.000 0.297 33 T C -2.479 172.171 174.700 -0.084 0.000 0.997 33 T CA -1.360 60.692 62.100 -0.080 0.000 0.949 33 T CB 1.234 70.063 68.868 -0.065 0.000 0.941 33 T HN 0.248 nan 8.240 nan 0.000 0.457 34 P HA 0.220 nan 4.420 nan 0.000 0.275 34 P C 0.540 177.780 177.300 -0.101 0.000 1.227 34 P CA -0.488 62.549 63.100 -0.105 0.000 0.781 34 P CB 1.564 33.191 31.700 -0.122 0.000 0.906 35 K N 2.872 123.241 120.400 -0.053 0.000 2.076 35 K HA 0.010 4.349 4.320 0.031 0.000 0.204 35 K C 0.396 177.013 176.600 0.029 0.000 1.051 35 K CA 0.815 57.109 56.287 0.012 0.000 0.949 35 K CB 0.181 32.685 32.500 0.006 0.000 0.726 35 K HN 0.448 nan 8.250 nan 0.000 0.443 36 N N 0.227 118.854 118.700 -0.122 0.000 2.362 36 N HA 0.275 5.033 4.740 0.031 0.000 0.299 36 N C -1.458 173.962 175.510 -0.150 0.000 1.170 36 N CA -0.570 52.295 53.050 -0.310 0.000 0.825 36 N CB 2.463 40.354 38.487 -0.992 0.000 1.299 36 N HN -0.197 nan 8.380 nan 0.000 0.502 37 V N 1.579 121.483 119.914 -0.017 0.000 2.638 37 V HA 0.509 4.647 4.120 0.031 0.000 0.306 37 V C -0.351 175.765 176.094 0.036 0.000 1.052 37 V CA -0.664 61.684 62.300 0.078 0.000 0.885 37 V CB 1.934 33.914 31.823 0.260 0.000 0.999 37 V HN 0.520 nan 8.190 nan 0.000 0.424 38 I N 5.449 126.022 120.570 0.006 0.000 2.382 38 I HA 0.429 4.617 4.170 0.031 0.000 0.286 38 I C -0.972 175.076 176.117 -0.114 0.000 1.002 38 I CA -0.644 60.612 61.300 -0.072 0.000 1.135 38 I CB 1.796 39.806 38.000 0.016 0.000 1.288 38 I HN 0.388 nan 8.210 nan 0.000 0.448 39 L N 8.464 129.554 121.223 -0.223 0.000 2.280 39 L HA 0.542 4.901 4.340 0.031 0.000 0.287 39 L C -1.059 175.751 176.870 -0.099 0.000 1.023 39 L CA -0.125 54.644 54.840 -0.118 0.000 0.819 39 L CB 0.896 42.941 42.059 -0.022 0.000 1.212 39 L HN 0.443 nan 8.230 nan 0.000 0.420 40 L N 6.719 127.932 121.223 -0.017 0.000 2.287 40 L HA 0.521 4.880 4.340 0.031 0.000 0.287 40 L C -0.540 176.495 176.870 0.274 0.000 1.022 40 L CA -0.374 54.523 54.840 0.094 0.000 0.814 40 L CB 1.422 43.465 42.059 -0.027 0.000 1.217 40 L HN 0.541 nan 8.230 nan 0.000 0.420 41 I N 2.685 123.419 120.570 0.273 0.000 2.355 41 I HA 0.191 4.380 4.170 0.031 0.000 0.288 41 I C 0.100 176.144 176.117 -0.122 0.000 0.999 41 I CA -0.307 61.077 61.300 0.140 0.000 1.163 41 I CB 1.882 39.981 38.000 0.165 0.000 1.316 41 I HN 0.583 nan 8.210 nan 0.000 0.454 42 S N 3.830 119.212 115.700 -0.530 0.000 2.409 42 S HA 0.218 4.707 4.470 0.031 0.000 0.308 42 S C -0.230 174.092 174.600 -0.463 0.000 1.080 42 S CA -0.882 56.724 58.200 -0.991 0.000 1.081 42 S CB 0.648 63.049 63.200 -1.331 0.000 1.009 42 S HN 0.521 nan 8.310 nan 0.000 0.502 43 D N 2.849 123.034 120.400 -0.359 0.000 2.401 43 D HA 0.281 4.939 4.640 0.031 0.000 0.254 43 D C 1.365 177.442 176.300 -0.372 0.000 1.192 43 D CA 1.624 55.445 54.000 -0.297 0.000 0.885 43 D CB 0.497 41.191 40.800 -0.177 0.000 1.147 43 D HN 1.037 nan 8.370 nan 0.000 0.478 44 G N 2.825 111.293 108.800 -0.553 0.000 2.141 44 G HA2 -0.183 3.796 3.960 0.031 0.000 0.242 44 G HA3 -0.183 3.796 3.960 0.031 0.000 0.242 44 G C 0.292 175.017 174.900 -0.290 0.000 0.982 44 G CA 0.224 45.033 45.100 -0.485 0.000 0.662 44 G HN 0.820 nan 8.290 nan 0.000 0.527 45 A N 0.549 123.202 122.820 -0.277 0.000 2.294 45 A HA 0.787 5.126 4.320 0.031 0.000 0.316 45 A C 1.018 178.546 177.584 -0.094 0.000 1.359 45 A CA 0.833 52.761 52.037 -0.181 0.000 0.956 45 A CB 0.385 19.264 19.000 -0.202 0.000 1.155 45 A HN 1.579 nan 8.150 nan 0.000 0.544 46 G N 0.377 109.151 108.800 -0.043 0.000 2.563 46 G HA2 0.394 4.373 3.960 0.031 0.000 0.283 46 G HA3 0.394 4.373 3.960 0.031 0.000 0.283 46 G C 0.821 175.733 174.900 0.020 0.000 1.309 46 G CA -0.361 44.741 45.100 0.003 0.000 1.022 46 G HN 0.780 nan 8.290 nan 0.000 0.501 47 L N 0.017 121.255 121.223 0.026 0.000 2.131 47 L HA -0.064 4.294 4.340 0.031 0.000 0.210 47 L C 2.831 179.733 176.870 0.052 0.000 1.092 47 L CA 2.268 57.124 54.840 0.025 0.000 0.759 47 L CB -0.643 41.420 42.059 0.006 0.000 0.903 47 L HN 0.433 nan 8.230 nan 0.000 0.435 48 S N -0.821 114.934 115.700 0.092 0.000 2.368 48 S HA -0.223 4.265 4.470 0.031 0.000 0.225 48 S C 1.825 176.623 174.600 0.330 0.000 1.030 48 S CA 1.365 59.676 58.200 0.184 0.000 0.999 48 S CB -0.243 63.061 63.200 0.173 0.000 0.844 48 S HN 0.513 nan 8.310 nan 0.000 0.459 49 Q N 1.033 120.949 119.800 0.194 0.000 2.050 49 Q HA 0.035 4.394 4.340 0.031 0.000 0.202 49 Q C 2.088 178.099 176.000 0.018 0.000 0.980 49 Q CA 1.250 57.013 55.803 -0.067 0.000 0.840 49 Q CB -0.484 28.130 28.738 -0.207 0.000 0.898 49 Q HN 0.509 nan 8.270 nan 0.000 0.424 50 I N -0.120 120.454 120.570 0.007 0.000 2.208 50 I HA -0.333 3.856 4.170 0.031 0.000 0.245 50 I C 2.041 178.222 176.117 0.108 0.000 1.097 50 I CA 1.163 62.411 61.300 -0.087 0.000 1.363 50 I CB -0.257 37.567 38.000 -0.293 0.000 1.051 50 I HN 0.102 nan 8.210 nan 0.000 0.413 51 S N 0.377 116.181 115.700 0.173 0.000 2.419 51 S HA -0.188 4.300 4.470 0.031 0.000 0.235 51 S C 2.174 177.087 174.600 0.521 0.000 1.019 51 S CA 1.525 59.907 58.200 0.302 0.000 0.982 51 S CB -0.405 62.916 63.200 0.202 0.000 0.789 51 S HN 0.664 nan 8.310 nan 0.000 0.490 52 S N 2.029 118.019 115.700 0.484 0.000 2.383 52 S HA -0.193 4.295 4.470 0.031 0.000 0.229 52 S C 2.082 176.996 174.600 0.524 0.000 1.030 52 S CA 1.708 60.278 58.200 0.617 0.000 1.002 52 S CB -1.457 62.045 63.200 0.504 0.000 0.829 52 S HN 0.730 nan 8.310 nan 0.000 0.467 53 T N -1.203 113.565 114.554 0.357 0.000 2.897 53 T HA -0.019 4.350 4.350 0.031 0.000 0.271 53 T C 1.216 175.919 174.700 0.004 0.000 1.084 53 T CA 0.876 63.086 62.100 0.182 0.000 1.123 53 T CB -0.866 68.083 68.868 0.134 0.000 0.865 53 T HN 0.399 nan 8.240 nan 0.000 0.496 54 F N -0.198 119.777 119.950 0.042 0.000 2.780 54 F HA 0.331 4.876 4.527 0.030 0.000 0.299 54 F C 1.302 176.811 175.800 -0.485 0.000 1.146 54 F CA -0.216 57.659 58.000 -0.208 0.000 1.428 54 F CB -0.141 38.683 39.000 -0.293 0.000 1.115 54 F HN 0.210 nan 8.300 nan 0.000 0.583 55 Y N -3.807 116.518 120.300 0.042 0.000 2.452 55 Y HA 0.231 4.799 4.550 0.031 0.000 0.262 55 Y C 0.911 176.491 175.900 -0.533 0.000 1.089 55 Y CA -0.148 57.773 58.100 -0.298 0.000 1.262 55 Y CB 0.060 38.218 38.460 -0.503 0.000 1.236 55 Y HN -0.122 nan 8.280 nan 0.000 0.512 56 F N 0.083 120.156 119.950 0.205 0.000 2.724 56 F HA 0.323 4.869 4.527 0.032 0.000 0.310 56 F C 0.369 176.216 175.800 0.080 0.000 1.107 56 F CA -0.328 57.757 58.000 0.142 0.000 1.218 56 F CB 0.687 39.784 39.000 0.161 0.000 1.042 56 F HN -0.350 nan 8.300 nan 0.000 0.540 57 K N 0.595 121.080 120.400 0.142 0.000 2.316 57 K HA 0.472 4.810 4.320 0.031 0.000 0.251 57 K C -0.336 176.267 176.600 0.004 0.000 0.934 57 K CA -0.475 55.853 56.287 0.068 0.000 0.802 57 K CB 1.656 34.171 32.500 0.025 0.000 1.171 57 K HN -0.156 nan 8.250 nan 0.000 0.426 58 S N 1.554 117.257 115.700 0.005 0.000 2.516 58 S HA 0.376 4.865 4.470 0.031 0.000 0.282 58 S C 0.043 174.613 174.600 -0.050 0.000 1.286 58 S CA 0.703 58.893 58.200 -0.018 0.000 1.066 58 S CB 0.442 63.638 63.200 -0.008 0.000 0.884 58 S HN 0.956 nan 8.310 nan 0.000 0.491 59 G N 3.401 112.163 108.800 -0.064 0.000 2.795 59 G HA2 -0.185 3.794 3.960 0.031 0.000 0.664 59 G HA3 -0.185 3.794 3.960 0.031 0.000 0.664 59 G C -0.381 174.442 174.900 -0.128 0.000 1.381 59 G CA -0.802 44.248 45.100 -0.084 0.000 0.853 59 G HN 0.728 nan 8.290 nan 0.000 0.545 60 T N 3.371 117.844 114.554 -0.136 0.000 2.870 60 T HA 0.493 4.862 4.350 0.031 0.000 0.300 60 T C -1.767 172.786 174.700 -0.244 0.000 0.989 60 T CA -0.022 61.967 62.100 -0.186 0.000 1.139 60 T CB 1.043 69.837 68.868 -0.123 0.000 0.920 60 T HN 0.579 nan 8.240 nan 0.000 0.537 61 P HA 0.157 nan 4.420 nan 0.000 0.269 61 P C 0.864 178.019 177.300 -0.241 0.000 1.209 61 P CA -0.382 62.499 63.100 -0.365 0.000 0.776 61 P CB 0.504 31.799 31.700 -0.676 0.000 0.876 62 N N 0.962 119.517 118.700 -0.242 0.000 2.381 62 N HA -0.144 4.614 4.740 0.031 0.000 0.182 62 N C 1.535 176.913 175.510 -0.219 0.000 1.025 62 N CA 1.039 53.927 53.050 -0.270 0.000 0.888 62 N CB -0.435 37.850 38.487 -0.336 0.000 0.965 62 N HN 0.527 nan 8.380 nan 0.000 0.438 63 Y N 1.436 121.677 120.300 -0.099 0.000 2.173 63 Y HA -0.271 4.297 4.550 0.030 0.000 0.282 63 Y C 2.764 178.763 175.900 0.165 0.000 1.192 63 Y CA 1.764 59.880 58.100 0.027 0.000 1.176 63 Y CB -0.798 37.663 38.460 0.001 0.000 0.969 63 Y HN 0.216 nan 8.280 nan 0.000 0.519 64 T N -2.301 112.397 114.554 0.241 0.000 3.098 64 T HA -0.167 4.202 4.350 0.031 0.000 0.266 64 T C 1.358 176.114 174.700 0.093 0.000 1.145 64 T CA 1.075 63.309 62.100 0.223 0.000 1.092 64 T CB -0.214 68.751 68.868 0.162 0.000 0.908 64 T HN 0.479 nan 8.240 nan 0.000 0.526 65 Q N -0.308 119.449 119.800 -0.071 0.000 2.378 65 Q HA 0.184 4.542 4.340 0.031 0.000 0.205 65 Q C -0.287 175.605 176.000 -0.180 0.000 0.954 65 Q CA 0.311 55.973 55.803 -0.235 0.000 0.901 65 Q CB -0.018 28.417 28.738 -0.504 0.000 0.981 65 Q HN 0.595 nan 8.270 nan 0.000 0.483 66 F N 0.641 120.665 119.950 0.124 0.000 2.412 66 F HA 0.084 4.630 4.527 0.032 0.000 0.348 66 F C 1.329 177.270 175.800 0.236 0.000 1.102 66 F CA -0.171 57.971 58.000 0.236 0.000 1.196 66 F CB 0.853 40.072 39.000 0.365 0.000 1.144 66 F HN -0.243 nan 8.300 nan 0.000 0.541 67 K N 0.758 121.402 120.400 0.407 0.000 2.286 67 K HA 0.129 4.468 4.320 0.031 0.000 0.203 67 K C -0.039 176.709 176.600 0.247 0.000 1.078 67 K CA 0.382 56.831 56.287 0.270 0.000 0.957 67 K CB -0.166 32.445 32.500 0.185 0.000 1.018 67 K HN 0.428 nan 8.250 nan 0.000 0.484 68 N N 1.898 120.754 118.700 0.259 0.000 2.442 68 N HA 0.187 4.946 4.740 0.031 0.000 0.265 68 N C -0.347 175.263 175.510 0.168 0.000 1.138 68 N CA 0.325 53.491 53.050 0.193 0.000 0.956 68 N CB 0.928 39.525 38.487 0.183 0.000 1.067 68 N HN 0.096 nan 8.380 nan 0.000 0.474 69 I N 0.467 121.084 120.570 0.079 0.000 2.619 69 I HA 0.515 4.703 4.170 0.031 0.000 0.292 69 I C 0.561 176.646 176.117 -0.053 0.000 1.100 69 I CA -0.782 60.474 61.300 -0.074 0.000 1.043 69 I CB 2.406 40.339 38.000 -0.110 0.000 1.239 69 I HN 0.424 nan 8.210 nan 0.000 0.420 70 G N 5.335 114.069 108.800 -0.110 0.000 3.022 70 G HA2 0.888 4.867 3.960 0.031 0.000 0.284 70 G HA3 0.888 4.867 3.960 0.031 0.000 0.284 70 G C -1.635 173.139 174.900 -0.211 0.000 1.375 70 G CA -0.642 44.429 45.100 -0.049 0.000 0.902 70 G HN 0.399 nan 8.290 nan 0.000 0.538 71 L N 0.264 121.312 121.223 -0.292 0.000 2.455 71 L HA 0.567 4.926 4.340 0.031 0.000 0.264 71 L C -0.626 175.961 176.870 -0.471 0.000 0.968 71 L CA -0.843 53.815 54.840 -0.303 0.000 0.827 71 L CB 2.346 44.295 42.059 -0.184 0.000 1.317 71 L HN 0.645 nan 8.230 nan 0.000 0.407 72 I N -0.714 119.662 120.570 -0.323 0.000 2.530 72 I HA 0.553 4.742 4.170 0.031 0.000 0.297 72 I C -0.605 175.461 176.117 -0.084 0.000 1.011 72 I CA -0.802 60.342 61.300 -0.259 0.000 1.107 72 I CB 1.918 39.863 38.000 -0.092 0.000 1.285 72 I HN 0.535 nan 8.210 nan 0.000 0.436 73 K N 3.339 123.714 120.400 -0.041 0.000 2.258 73 K HA 0.313 4.652 4.320 0.031 0.000 0.284 73 K C 0.639 177.261 176.600 0.037 0.000 1.051 73 K CA -0.155 56.135 56.287 0.005 0.000 0.923 73 K CB 1.095 33.602 32.500 0.012 0.000 1.046 73 K HN 0.907 nan 8.250 nan 0.000 0.474 74 T N -0.942 113.635 114.554 0.039 0.000 3.069 74 T HA 0.114 4.482 4.350 0.031 0.000 0.252 74 T C 0.355 175.068 174.700 0.022 0.000 1.053 74 T CA -0.381 61.744 62.100 0.041 0.000 0.964 74 T CB 0.228 69.137 68.868 0.069 0.000 1.005 74 T HN 0.313 nan 8.240 nan 0.000 0.532 75 S N 3.168 118.882 115.700 0.024 0.000 2.558 75 S HA 0.347 4.836 4.470 0.031 0.000 0.288 75 S C 0.908 175.512 174.600 0.007 0.000 1.318 75 S CA -0.346 57.865 58.200 0.018 0.000 1.056 75 S CB 0.677 63.890 63.200 0.021 0.000 0.853 75 S HN 0.822 nan 8.310 nan 0.000 0.505 76 S N 1.725 117.427 115.700 0.004 0.000 2.632 76 S HA 0.227 4.715 4.470 0.031 0.000 0.267 76 S C 1.554 176.160 174.600 0.011 0.000 1.193 76 S CA -0.067 58.130 58.200 -0.005 0.000 1.003 76 S CB 0.435 63.633 63.200 -0.003 0.000 1.073 76 S HN 0.782 nan 8.310 nan 0.000 0.553 77 S N 0.115 115.824 115.700 0.015 0.000 2.474 77 S HA 0.021 4.509 4.470 0.031 0.000 0.235 77 S C 1.380 176.003 174.600 0.040 0.000 0.997 77 S CA 0.384 58.602 58.200 0.030 0.000 0.949 77 S CB -0.524 62.700 63.200 0.040 0.000 0.766 77 S HN 0.768 nan 8.310 nan 0.000 0.517 78 R N -0.076 120.452 120.500 0.047 0.000 2.517 78 R HA 0.364 4.723 4.340 0.031 0.000 0.265 78 R C -0.670 175.647 176.300 0.030 0.000 0.921 78 R CA 0.053 56.178 56.100 0.041 0.000 1.054 78 R CB 0.607 30.940 30.300 0.056 0.000 1.340 78 R HN 0.351 nan 8.270 nan 0.000 0.551 79 E N 0.308 120.525 120.200 0.028 0.000 2.256 79 E HA 0.154 4.523 4.350 0.031 0.000 0.268 79 E C -0.709 175.903 176.600 0.019 0.000 0.877 79 E CA -0.435 55.978 56.400 0.021 0.000 0.757 79 E CB 1.883 31.596 29.700 0.022 0.000 1.183 79 E HN -0.156 nan 8.360 nan 0.000 0.418 80 D N 0.764 121.175 120.400 0.018 0.000 2.149 80 D HA -0.075 4.584 4.640 0.031 0.000 0.198 80 D C 0.219 176.534 176.300 0.024 0.000 0.990 80 D CA 1.082 55.094 54.000 0.020 0.000 0.839 80 D CB 0.320 41.131 40.800 0.019 0.000 0.948 80 D HN 0.128 nan 8.370 nan 0.000 0.460 81 V N 0.987 120.915 119.914 0.023 0.000 2.333 81 V HA 0.179 4.318 4.120 0.031 0.000 0.274 81 V C 0.561 176.670 176.094 0.024 0.000 1.028 81 V CA -0.565 61.753 62.300 0.030 0.000 0.851 81 V CB 1.396 33.239 31.823 0.033 0.000 1.000 81 V HN -0.057 nan 8.190 nan 0.000 0.456 82 T N 3.775 118.341 114.554 0.021 0.000 2.882 82 T HA 0.266 4.635 4.350 0.031 0.000 0.287 82 T C -0.181 174.541 174.700 0.036 0.000 1.014 82 T CA -0.495 61.610 62.100 0.009 0.000 1.049 82 T CB 0.814 69.679 68.868 -0.004 0.000 1.001 82 T HN 0.956 nan 8.240 nan 0.000 0.525 86 S N 0.733 116.362 115.700 -0.120 0.000 2.402 86 S HA 0.101 4.590 4.470 0.031 0.000 0.229 86 S C 1.989 176.477 174.600 -0.187 0.000 1.021 86 S CA 1.922 60.020 58.200 -0.170 0.000 0.974 86 S CB -0.932 62.186 63.200 -0.137 0.000 0.800 86 S HN 1.411 nan 8.310 nan 0.000 0.484 87 G N 1.364 110.071 108.800 -0.154 0.000 2.422 87 G HA2 0.097 4.076 3.960 0.031 0.000 0.218 87 G HA3 0.097 4.076 3.960 0.031 0.000 0.218 87 G C 1.577 176.161 174.900 -0.528 0.000 1.146 87 G CA 0.747 45.688 45.100 -0.265 0.000 0.769 87 G HN 0.788 nan 8.290 nan 0.000 0.547 88 A N -0.279 122.378 122.820 -0.272 0.000 2.030 88 A HA 0.183 4.522 4.320 0.031 0.000 0.215 88 A C 2.431 179.870 177.584 -0.242 0.000 1.164 88 A CA 1.930 53.872 52.037 -0.158 0.000 0.697 88 A CB -0.411 18.654 19.000 0.108 0.000 0.827 88 A HN 0.234 nan 8.150 nan 0.000 0.457 89 T N 0.350 114.747 114.554 -0.262 0.000 2.867 89 T HA 0.028 4.397 4.350 0.031 0.000 0.268 89 T C 2.193 176.737 174.700 -0.260 0.000 1.057 89 T CA 1.219 63.151 62.100 -0.281 0.000 1.136 89 T CB -0.305 68.412 68.868 -0.253 0.000 0.874 89 T HN 0.554 nan 8.240 nan 0.000 0.466 90 A N 1.337 123.998 122.820 -0.264 0.000 1.883 90 A HA -0.064 4.275 4.320 0.031 0.000 0.217 90 A C 1.883 179.476 177.584 0.015 0.000 1.186 90 A CA 1.470 53.401 52.037 -0.177 0.000 0.624 90 A CB -0.869 17.995 19.000 -0.226 0.000 0.822 90 A HN 0.439 nan 8.150 nan 0.000 0.444 91 F N 0.934 120.917 119.950 0.054 0.000 2.113 91 F HA -0.103 4.446 4.527 0.037 0.000 0.297 91 F C 3.023 178.905 175.800 0.137 0.000 1.103 91 F CA 1.178 59.290 58.000 0.186 0.000 1.248 91 F CB -1.177 38.018 39.000 0.326 0.000 0.999 91 F HN 0.372 nan 8.300 nan 0.000 0.475 92 S N -1.838 113.825 115.700 -0.061 0.000 2.436 92 S HA -0.087 4.402 4.470 0.031 0.000 0.228 92 S C 1.674 176.210 174.600 -0.106 0.000 1.014 92 S CA 1.087 59.087 58.200 -0.332 0.000 0.950 92 S CB -0.865 61.618 63.200 -1.196 0.000 0.784 92 S HN 0.341 nan 8.310 nan 0.000 0.504 93 C N 0.142 119.215 119.300 -0.378 0.000 3.580 93 C HA 0.685 5.164 4.460 0.031 0.000 0.337 93 C C 1.795 175.985 174.990 -1.334 0.000 1.412 93 C CA -0.386 58.184 59.018 -0.746 0.000 1.797 93 C CB -0.246 27.267 27.740 -0.379 0.000 2.470 93 C HN 0.794 nan 8.230 nan 0.000 0.691 94 G N 2.123 110.364 108.800 -0.933 0.000 2.143 94 G HA2 -0.238 3.741 3.960 0.031 0.000 0.248 94 G HA3 -0.238 3.741 3.960 0.031 0.000 0.248 94 G C -0.163 174.634 174.900 -0.172 0.000 0.991 94 G CA 0.736 45.450 45.100 -0.642 0.000 0.689 94 G HN 0.801 nan 8.290 nan 0.000 0.522 95 I N -3.952 116.508 120.570 -0.184 0.000 2.785 95 I HA 0.793 4.982 4.170 0.031 0.000 0.302 95 I C -0.154 175.923 176.117 -0.067 0.000 1.069 95 I CA -1.774 59.481 61.300 -0.075 0.000 1.045 95 I CB 1.571 39.508 38.000 -0.105 0.000 1.236 95 I HN -0.237 nan 8.210 nan 0.000 0.429 96 K N 2.563 122.946 120.400 -0.028 0.000 2.322 96 K HA 0.469 4.808 4.320 0.031 0.000 0.283 96 K C -0.297 176.271 176.600 -0.053 0.000 1.042 96 K CA -0.079 56.187 56.287 -0.034 0.000 0.958 96 K CB 1.417 33.916 32.500 -0.001 0.000 0.984 96 K HN 0.874 nan 8.250 nan 0.000 0.473 97 T N 1.286 115.787 114.554 -0.089 0.000 2.778 97 T HA 0.445 4.814 4.350 0.031 0.000 0.293 97 T C -1.287 173.350 174.700 -0.106 0.000 1.144 97 T CA -0.775 61.250 62.100 -0.126 0.000 1.010 97 T CB 0.438 69.145 68.868 -0.268 0.000 1.325 97 T HN 0.400 nan 8.240 nan 0.000 0.515 98 Y N 1.138 121.419 120.300 -0.031 0.000 2.346 98 Y HA 0.571 5.108 4.550 -0.021 0.000 0.330 98 Y C 0.510 176.393 175.900 -0.028 0.000 1.178 98 Y CA -1.380 56.705 58.100 -0.026 0.000 1.331 98 Y CB -0.260 38.186 38.460 -0.023 0.000 1.253 98 Y HN 0.374 nan 8.280 nan 0.000 0.529 99 N N 2.093 120.864 118.700 0.118 0.000 2.294 99 N HA 0.201 4.960 4.740 0.031 0.000 0.263 99 N C 0.728 176.312 175.510 0.124 0.000 1.281 99 N CA 1.492 54.581 53.050 0.064 0.000 0.846 99 N CB 0.620 39.142 38.487 0.058 0.000 1.061 99 N HN 1.033 nan 8.380 nan 0.000 0.478 100 A N -0.030 122.805 122.820 0.025 0.000 3.595 100 A HA -0.142 4.197 4.320 0.031 0.000 0.236 100 A C 0.629 178.187 177.584 -0.044 0.000 1.044 100 A CA 0.561 52.622 52.037 0.041 0.000 1.645 100 A CB -1.982 17.094 19.000 0.126 0.000 0.926 100 A HN 1.010 nan 8.150 nan 0.000 0.816 101 A N 0.558 123.190 122.820 -0.313 0.000 2.425 101 A HA 0.546 4.884 4.320 0.031 0.000 0.249 101 A C 0.194 177.610 177.584 -0.281 0.000 1.084 101 A CA 0.598 52.324 52.037 -0.518 0.000 0.781 101 A CB 0.000 18.253 19.000 -1.245 0.000 1.019 101 A HN 0.914 nan 8.150 nan 0.000 0.490 102 I N 2.408 122.864 120.570 -0.191 0.000 2.420 102 I HA 0.349 4.538 4.170 0.031 0.000 0.282 102 I C 1.170 177.201 176.117 -0.144 0.000 1.019 102 I CA 0.591 61.790 61.300 -0.168 0.000 1.130 102 I CB 0.139 38.051 38.000 -0.148 0.000 1.262 102 I HN 1.107 nan 8.210 nan 0.000 0.454 103 G N 5.222 113.922 108.800 -0.165 0.000 2.258 103 G HA2 -0.166 3.812 3.960 0.031 0.000 0.274 103 G HA3 -0.166 3.812 3.960 0.031 0.000 0.274 103 G C 0.078 175.029 174.900 0.085 0.000 1.021 103 G CA 0.615 45.680 45.100 -0.059 0.000 0.798 103 G HN 0.792 nan 8.290 nan 0.000 0.507 104 V N -3.932 115.948 119.914 -0.058 0.000 2.962 104 V HA 0.989 5.128 4.120 0.031 0.000 0.313 104 V C 0.481 176.510 176.094 -0.108 0.000 1.099 104 V CA -0.503 61.768 62.300 -0.047 0.000 0.971 104 V CB 1.586 33.409 31.823 -0.001 0.000 1.028 104 V HN 1.614 nan 8.190 nan 0.000 0.430 105 A N 1.557 124.348 122.820 -0.049 0.000 2.267 105 A HA 0.414 4.753 4.320 0.031 0.000 0.271 105 A C 1.018 178.627 177.584 0.041 0.000 1.131 105 A CA 0.656 52.672 52.037 -0.035 0.000 0.818 105 A CB -0.079 18.911 19.000 -0.016 0.000 1.118 105 A HN 1.154 nan 8.150 nan 0.000 0.501 106 D N -0.844 119.598 120.400 0.070 0.000 2.178 106 D HA -0.168 4.491 4.640 0.031 0.000 0.201 106 D C 0.981 177.403 176.300 0.203 0.000 0.980 106 D CA 1.750 55.864 54.000 0.190 0.000 0.842 106 D CB -0.027 40.840 40.800 0.112 0.000 0.948 106 D HN 0.599 nan 8.370 nan 0.000 0.472 107 D N -0.672 119.793 120.400 0.108 0.000 2.336 107 D HA -0.050 4.608 4.640 0.031 0.000 0.229 107 D C 0.784 177.136 176.300 0.087 0.000 1.061 107 D CA 1.034 55.076 54.000 0.069 0.000 0.875 107 D CB -0.480 40.339 40.800 0.033 0.000 0.904 107 D HN 0.180 nan 8.370 nan 0.000 0.525 108 S N -2.179 113.627 115.700 0.176 0.000 3.018 108 S HA -0.235 4.254 4.470 0.031 0.000 0.274 108 S C 0.359 175.011 174.600 0.086 0.000 1.300 108 S CA 0.991 59.309 58.200 0.197 0.000 1.179 108 S CB -3.106 60.186 63.200 0.154 0.000 1.427 108 S HN 0.777 nan 8.310 nan 0.000 0.668 109 T N 0.510 115.090 114.554 0.044 0.000 2.910 109 T HA 0.750 5.118 4.350 0.031 0.000 0.293 109 T C 0.537 175.222 174.700 -0.025 0.000 1.015 109 T CA -0.156 61.946 62.100 0.004 0.000 1.094 109 T CB 1.454 70.318 68.868 -0.007 0.000 0.968 109 T HN 1.691 nan 8.240 nan 0.000 0.521 110 A N 2.369 125.148 122.820 -0.068 0.000 2.498 110 A HA 0.554 4.893 4.320 0.031 0.000 0.239 110 A C 0.550 178.038 177.584 -0.160 0.000 1.068 110 A CA -0.475 51.466 52.037 -0.160 0.000 0.766 110 A CB -0.460 18.346 19.000 -0.322 0.000 1.003 110 A HN 1.590 nan 8.150 nan 0.000 0.497 111 V N 0.065 119.895 119.914 -0.140 0.000 2.823 111 V HA 0.582 4.720 4.120 0.031 0.000 0.312 111 V C -0.143 175.930 176.094 -0.035 0.000 1.072 111 V CA -1.311 60.934 62.300 -0.092 0.000 0.937 111 V CB 1.492 33.261 31.823 -0.091 0.000 1.013 111 V HN 0.874 nan 8.190 nan 0.000 0.430 112 K N 2.282 122.677 120.400 -0.008 0.000 2.412 112 K HA 0.387 4.726 4.320 0.031 0.000 0.281 112 K C 0.611 177.283 176.600 0.119 0.000 1.027 112 K CA 0.304 56.639 56.287 0.081 0.000 0.989 112 K CB 0.670 33.227 32.500 0.094 0.000 0.935 112 K HN 1.138 nan 8.250 nan 0.000 0.475 113 S N 2.966 118.777 115.700 0.185 0.000 2.693 113 S HA 0.156 4.645 4.470 0.031 0.000 0.276 113 S C 1.145 175.902 174.600 0.261 0.000 1.192 113 S CA -0.775 57.524 58.200 0.165 0.000 0.994 113 S CB 0.950 64.194 63.200 0.073 0.000 1.012 113 S HN 0.644 nan 8.310 nan 0.000 0.550 114 I N 1.313 122.056 120.570 0.289 0.000 2.361 114 I HA -0.068 4.120 4.170 0.031 0.000 0.251 114 I C 1.952 178.029 176.117 -0.066 0.000 1.133 114 I CA 1.229 62.577 61.300 0.080 0.000 1.413 114 I CB -0.334 37.617 38.000 -0.082 0.000 1.073 114 I HN 0.605 nan 8.210 nan 0.000 0.424 115 V N 0.485 120.431 119.914 0.054 0.000 2.358 115 V HA -0.261 3.877 4.120 0.031 0.000 0.246 115 V C 2.354 178.501 176.094 0.088 0.000 1.047 115 V CA 2.124 64.491 62.300 0.112 0.000 1.035 115 V CB -0.678 31.321 31.823 0.293 0.000 0.658 115 V HN 0.459 nan 8.190 nan 0.000 0.452 116 E N -0.104 120.167 120.200 0.117 0.000 2.072 116 E HA -0.170 4.199 4.350 0.031 0.000 0.191 116 E C 2.154 178.785 176.600 0.052 0.000 0.985 116 E CA 1.400 57.863 56.400 0.106 0.000 0.801 116 E CB -0.182 29.608 29.700 0.149 0.000 0.750 116 E HN 0.545 nan 8.360 nan 0.000 0.452 117 I N 1.200 121.800 120.570 0.050 0.000 2.226 117 I HA -0.275 3.913 4.170 0.031 0.000 0.245 117 I C 2.541 178.593 176.117 -0.108 0.000 1.100 117 I CA 0.921 62.230 61.300 0.016 0.000 1.374 117 I CB -0.314 37.724 38.000 0.064 0.000 1.057 117 I HN 0.091 nan 8.210 nan 0.000 0.413 118 A N 0.883 123.576 122.820 -0.212 0.000 1.883 118 A HA -0.253 4.086 4.320 0.031 0.000 0.217 118 A C 2.571 179.974 177.584 -0.301 0.000 1.186 118 A CA 2.164 53.911 52.037 -0.484 0.000 0.624 118 A CB -1.051 17.655 19.000 -0.490 0.000 0.822 118 A HN 0.438 nan 8.150 nan 0.000 0.444 119 A N -0.778 121.968 122.820 -0.124 0.000 1.917 119 A HA -0.133 4.206 4.320 0.031 0.000 0.219 119 A C 2.124 179.670 177.584 -0.063 0.000 1.182 119 A CA 1.894 53.897 52.037 -0.056 0.000 0.633 119 A CB -0.680 18.331 19.000 0.019 0.000 0.819 119 A HN 0.615 nan 8.150 nan 0.000 0.448 120 L N 0.384 121.575 121.223 -0.054 0.000 2.127 120 L HA -0.123 4.235 4.340 0.031 0.000 0.211 120 L C 1.358 178.192 176.870 -0.060 0.000 1.089 120 L CA 1.721 56.541 54.840 -0.034 0.000 0.757 120 L CB -0.507 41.547 42.059 -0.008 0.000 0.899 120 L HN 0.420 nan 8.230 nan 0.000 0.434 121 N N -0.031 118.589 118.700 -0.133 0.000 2.313 121 N HA -0.046 4.713 4.740 0.031 0.000 0.207 121 N C 0.125 175.537 175.510 -0.164 0.000 1.141 121 N CA 0.319 53.277 53.050 -0.153 0.000 0.830 121 N CB -0.009 38.321 38.487 -0.261 0.000 1.008 121 N HN 0.298 nan 8.380 nan 0.000 0.481 122 N N 0.708 119.333 118.700 -0.125 0.000 2.776 122 N HA -0.139 4.620 4.740 0.031 0.000 0.249 122 N C -1.225 174.217 175.510 -0.113 0.000 1.111 122 N CA 0.459 53.458 53.050 -0.086 0.000 0.711 122 N CB -0.987 37.472 38.487 -0.046 0.000 1.065 122 N HN 0.194 nan 8.380 nan 0.000 0.556 123 I N 0.451 120.898 120.570 -0.205 0.000 2.359 123 I HA 0.252 4.441 4.170 0.031 0.000 0.294 123 I C 0.922 176.998 176.117 -0.068 0.000 0.987 123 I CA -0.596 60.575 61.300 -0.215 0.000 1.225 123 I CB 1.427 39.066 38.000 -0.601 0.000 1.366 123 I HN -0.032 nan 8.210 nan 0.000 0.466 124 K N 4.277 124.704 120.400 0.045 0.000 2.237 124 K HA 0.412 4.750 4.320 0.031 0.000 0.270 124 K C 0.199 176.923 176.600 0.207 0.000 1.015 124 K CA -0.164 56.192 56.287 0.114 0.000 0.949 124 K CB 1.258 33.825 32.500 0.112 0.000 0.976 124 K HN 0.799 nan 8.250 nan 0.000 0.472 125 T N -1.903 112.794 114.554 0.239 0.000 2.900 125 T HA 0.746 5.114 4.350 0.031 0.000 0.295 125 T C -0.038 174.868 174.700 0.343 0.000 1.044 125 T CA -0.999 61.301 62.100 0.333 0.000 0.995 125 T CB 2.125 71.199 68.868 0.344 0.000 1.072 125 T HN 0.546 nan 8.240 nan 0.000 0.473 126 G N 0.283 109.278 108.800 0.326 0.000 2.696 126 G HA2 0.618 4.597 3.960 0.031 0.000 0.295 126 G HA3 0.618 4.597 3.960 0.031 0.000 0.295 126 G C -1.844 173.223 174.900 0.279 0.000 1.398 126 G CA -0.791 44.512 45.100 0.339 0.000 0.920 126 G HN 0.888 nan 8.290 nan 0.000 0.492 127 V N 0.894 121.029 119.914 0.368 0.000 2.577 127 V HA 0.640 4.779 4.120 0.031 0.000 0.303 127 V C -0.548 175.736 176.094 0.317 0.000 1.042 127 V CA -0.617 61.851 62.300 0.281 0.000 0.872 127 V CB 1.775 33.812 31.823 0.357 0.000 0.998 127 V HN 0.660 nan 8.190 nan 0.000 0.423 128 V N 3.473 123.507 119.914 0.201 0.000 2.656 128 V HA 0.985 5.123 4.120 0.031 0.000 0.307 128 V C -0.009 176.205 176.094 0.200 0.000 1.051 128 V CA -0.335 62.092 62.300 0.212 0.000 0.893 128 V CB 1.842 33.709 31.823 0.072 0.000 0.999 128 V HN 1.080 nan 8.190 nan 0.000 0.426 129 A N 2.105 125.099 122.820 0.290 0.000 2.594 129 A HA 0.705 5.044 4.320 0.031 0.000 0.295 129 A C 0.367 178.147 177.584 0.325 0.000 1.071 129 A CA 0.210 52.401 52.037 0.256 0.000 0.685 129 A CB 1.890 21.019 19.000 0.216 0.000 1.285 129 A HN 0.989 nan 8.150 nan 0.000 0.405 130 T N -1.478 113.200 114.554 0.206 0.000 3.081 130 T HA 0.223 4.591 4.350 0.031 0.000 0.250 130 T C 0.980 175.695 174.700 0.025 0.000 1.100 130 T CA 0.933 63.105 62.100 0.119 0.000 1.038 130 T CB -0.609 68.300 68.868 0.068 0.000 0.962 130 T HN 1.253 nan 8.240 nan 0.000 0.516 131 S N 1.262 117.001 115.700 0.064 0.000 2.666 131 S HA 0.567 5.055 4.470 0.031 0.000 0.279 131 S C 0.359 175.102 174.600 0.240 0.000 1.149 131 S CA -0.585 57.738 58.200 0.206 0.000 1.020 131 S CB 0.898 64.273 63.200 0.291 0.000 1.127 131 S HN 0.351 nan 8.310 nan 0.000 0.537 132 S N -0.751 115.124 115.700 0.293 0.000 2.563 132 S HA 0.037 4.526 4.470 0.031 0.000 0.284 132 S C 0.843 175.583 174.600 0.232 0.000 1.331 132 S CA -0.526 57.830 58.200 0.260 0.000 1.047 132 S CB -0.384 62.961 63.200 0.241 0.000 0.859 132 S HN 0.655 nan 8.310 nan 0.000 0.514 133 I N 4.168 124.895 120.570 0.262 0.000 3.176 133 I HA -0.029 4.159 4.170 0.031 0.000 0.275 133 I C 2.128 178.410 176.117 0.276 0.000 1.298 133 I CA 1.637 63.100 61.300 0.272 0.000 1.445 133 I CB -0.393 37.745 38.000 0.231 0.000 1.075 133 I HN 0.933 nan 8.210 nan 0.000 0.482 134 T N -3.187 111.457 114.554 0.150 0.000 3.107 134 T HA 0.131 4.500 4.350 0.031 0.000 0.249 134 T C 0.968 175.630 174.700 -0.063 0.000 1.096 134 T CA -0.275 61.827 62.100 0.003 0.000 1.012 134 T CB -0.240 68.451 68.868 -0.295 0.000 0.977 134 T HN 0.198 nan 8.240 nan 0.000 0.527 135 E N 0.597 120.816 120.200 0.032 0.000 2.392 135 E HA 0.433 4.802 4.350 0.031 0.000 0.256 135 E C 1.542 178.179 176.600 0.061 0.000 1.145 135 E CA 0.290 56.728 56.400 0.063 0.000 0.929 135 E CB 1.121 30.933 29.700 0.187 0.000 0.998 135 E HN 0.275 nan 8.360 nan 0.000 0.442 136 A N 2.395 125.259 122.820 0.072 0.000 1.903 136 A HA -0.239 4.100 4.320 0.031 0.000 0.219 136 A C 2.131 179.762 177.584 0.078 0.000 1.191 136 A CA 2.615 54.681 52.037 0.048 0.000 0.638 136 A CB -0.825 18.219 19.000 0.075 0.000 0.823 136 A HN 0.708 nan 8.150 nan 0.000 0.451 137 T N 0.303 114.948 114.554 0.152 0.000 2.668 137 T HA -0.065 4.303 4.350 0.031 0.000 0.262 137 T C -0.152 174.744 174.700 0.326 0.000 1.045 137 T CA 1.662 63.904 62.100 0.236 0.000 1.152 137 T CB -1.256 67.747 68.868 0.226 0.000 0.864 137 T HN 0.475 nan 8.240 nan 0.000 0.419 138 P HA 0.044 nan 4.420 nan 0.000 0.217 138 P C 1.431 178.837 177.300 0.176 0.000 1.150 138 P CA 1.258 64.551 63.100 0.321 0.000 0.832 138 P CB -0.282 31.613 31.700 0.326 0.000 0.787 139 A N 0.178 122.949 122.820 -0.083 0.000 1.940 139 A HA -0.162 4.176 4.320 0.031 0.000 0.219 139 A C 2.362 179.664 177.584 -0.469 0.000 1.176 139 A CA 2.080 53.778 52.037 -0.565 0.000 0.631 139 A CB -1.650 17.145 19.000 -0.342 0.000 0.814 139 A HN 0.186 nan 8.150 nan 0.000 0.446 140 S N -1.101 114.493 115.700 -0.175 0.000 2.500 140 S HA -0.044 4.445 4.470 0.031 0.000 0.239 140 S C 1.047 175.466 174.600 -0.303 0.000 0.989 140 S CA 0.982 59.039 58.200 -0.238 0.000 0.951 140 S CB -0.441 62.635 63.200 -0.208 0.000 0.759 140 S HN 0.576 nan 8.310 nan 0.000 0.523 141 F N -0.138 119.776 119.950 -0.061 0.000 2.749 141 F HA 0.191 4.738 4.527 0.033 0.000 0.300 141 F C 1.356 177.235 175.800 0.132 0.000 1.103 141 F CA -0.162 57.901 58.000 0.105 0.000 1.342 141 F CB 0.122 39.294 39.000 0.286 0.000 1.098 141 F HN 0.389 nan 8.300 nan 0.000 0.586 142 Y N -2.917 117.452 120.300 0.115 0.000 2.515 142 Y HA 0.730 5.303 4.550 0.039 0.000 0.267 142 Y C 0.102 175.941 175.900 -0.103 0.000 1.058 142 Y CA -0.711 57.418 58.100 0.049 0.000 1.231 142 Y CB -0.525 38.004 38.460 0.115 0.000 1.350 142 Y HN -0.186 nan 8.280 nan 0.000 0.554 143 A N 0.880 123.422 122.820 -0.463 0.000 2.387 143 A HA 0.793 5.132 4.320 0.031 0.000 0.303 143 A C -1.507 175.719 177.584 -0.598 0.000 1.145 143 A CA -0.690 51.118 52.037 -0.382 0.000 0.801 143 A CB 0.912 19.704 19.000 -0.346 0.000 1.342 143 A HN 0.441 nan 8.150 nan 0.000 0.440 144 H N 0.019 119.058 119.070 -0.052 0.000 3.078 144 H HA 0.643 5.213 4.556 0.025 0.000 0.319 144 H C -0.564 174.739 175.328 -0.041 0.000 0.995 144 H CA 0.067 56.083 56.048 -0.053 0.000 1.417 144 H CB 1.413 31.160 29.762 -0.025 0.000 1.598 144 H HN 0.942 nan 8.280 nan 0.000 0.515 145 A N 2.795 125.634 122.820 0.032 0.000 2.539 145 A HA 0.398 4.736 4.320 0.031 0.000 0.296 145 A C 0.515 178.120 177.584 0.035 0.000 1.073 145 A CA -0.677 51.374 52.037 0.023 0.000 0.700 145 A CB 1.158 20.148 19.000 -0.016 0.000 1.296 145 A HN 0.638 nan 8.150 nan 0.000 0.405 146 L N 0.474 121.735 121.223 0.064 0.000 2.291 146 L HA 0.055 4.413 4.340 0.031 0.000 0.214 146 L C 0.741 177.706 176.870 0.159 0.000 1.120 146 L CA 0.862 55.780 54.840 0.130 0.000 0.799 146 L CB -0.001 42.118 42.059 0.101 0.000 0.925 146 L HN 0.733 nan 8.230 nan 0.000 0.446 147 N N -0.566 118.180 118.700 0.076 0.000 2.324 147 N HA 0.094 4.852 4.740 0.031 0.000 0.285 147 N C 0.619 176.134 175.510 0.009 0.000 1.076 147 N CA -0.428 52.661 53.050 0.065 0.000 0.864 147 N CB 1.728 40.249 38.487 0.056 0.000 1.632 147 N HN 0.029 nan 8.380 nan 0.000 0.478 148 R N 1.593 122.092 120.500 -0.003 0.000 2.200 148 R HA -0.032 4.326 4.340 0.031 0.000 0.234 148 R C 1.311 177.588 176.300 -0.039 0.000 1.127 148 R CA 1.749 57.831 56.100 -0.031 0.000 0.989 148 R CB -0.478 29.812 30.300 -0.017 0.000 0.869 148 R HN 0.465 nan 8.270 nan 0.000 0.459 149 G N 1.530 110.317 108.800 -0.022 0.000 2.744 149 G HA2 -0.005 3.974 3.960 0.031 0.000 0.211 149 G HA3 -0.005 3.974 3.960 0.031 0.000 0.211 149 G C 0.847 175.729 174.900 -0.030 0.000 1.143 149 G CA -0.156 44.928 45.100 -0.026 0.000 0.788 149 G HN 0.197 nan 8.290 nan 0.000 0.534 150 L N 1.316 122.519 121.223 -0.033 0.000 2.533 150 L HA 0.222 4.580 4.340 0.031 0.000 0.239 150 L C 1.231 178.063 176.870 -0.064 0.000 1.376 150 L CA -0.202 54.619 54.840 -0.031 0.000 1.240 150 L CB 0.012 42.060 42.059 -0.019 0.000 1.487 150 L HN 0.264 nan 8.230 nan 0.000 0.419 151 E N 0.160 120.303 120.200 -0.095 0.000 2.208 151 E HA -0.152 4.217 4.350 0.031 0.000 0.193 151 E C 1.374 177.880 176.600 -0.157 0.000 0.988 151 E CA 0.747 57.013 56.400 -0.223 0.000 0.828 151 E CB 0.266 29.647 29.700 -0.531 0.000 0.763 151 E HN 0.638 nan 8.360 nan 0.000 0.478 152 E N 0.933 121.130 120.200 -0.005 0.000 2.152 152 E HA -0.178 4.190 4.350 0.031 0.000 0.192 152 E C 1.967 178.527 176.600 -0.067 0.000 0.983 152 E CA 0.599 56.996 56.400 -0.004 0.000 0.818 152 E CB 0.057 29.782 29.700 0.042 0.000 0.758 152 E HN 0.272 nan 8.360 nan 0.000 0.467 153 E N 1.156 121.328 120.200 -0.046 0.000 2.106 153 E HA -0.158 4.211 4.350 0.031 0.000 0.192 153 E C 2.037 178.611 176.600 -0.043 0.000 0.984 153 E CA 0.620 56.999 56.400 -0.035 0.000 0.806 153 E CB 0.046 29.735 29.700 -0.018 0.000 0.750 153 E HN 0.209 nan 8.360 nan 0.000 0.458 154 I N 0.978 121.507 120.570 -0.068 0.000 2.252 154 I HA -0.210 3.979 4.170 0.031 0.000 0.245 154 I C 2.552 178.673 176.117 0.008 0.000 1.102 154 I CA 0.922 62.194 61.300 -0.047 0.000 1.385 154 I CB -0.264 37.671 38.000 -0.109 0.000 1.064 154 I HN 0.185 nan 8.210 nan 0.000 0.414 155 A N 0.276 122.990 122.820 -0.177 0.000 1.933 155 A HA -0.259 4.079 4.320 0.031 0.000 0.218 155 A C 2.254 179.697 177.584 -0.236 0.000 1.175 155 A CA 1.826 53.592 52.037 -0.452 0.000 0.628 155 A CB -0.535 17.783 19.000 -1.137 0.000 0.814 155 A HN 0.390 nan 8.150 nan 0.000 0.444 156 M N -0.003 119.516 119.600 -0.135 0.000 2.254 156 M HA -0.072 4.427 4.480 0.031 0.000 0.265 156 M C 0.945 177.261 176.300 0.027 0.000 1.066 156 M CA 1.722 56.997 55.300 -0.040 0.000 1.123 156 M CB -0.451 32.133 32.600 -0.026 0.000 1.388 156 M HN 0.312 nan 8.290 nan 0.000 0.425 157 D N -0.222 120.213 120.400 0.058 0.000 2.218 157 D HA -0.191 4.468 4.640 0.031 0.000 0.204 157 D C 1.835 178.233 176.300 0.163 0.000 0.976 157 D CA 1.315 55.388 54.000 0.121 0.000 0.853 157 D CB -0.392 40.486 40.800 0.131 0.000 0.939 157 D HN 0.426 nan 8.370 nan 0.000 0.481 158 M N 0.837 120.513 119.600 0.127 0.000 2.144 158 M HA -0.182 4.316 4.480 0.031 0.000 0.260 158 M C 1.956 178.262 176.300 0.010 0.000 1.067 158 M CA 1.812 57.078 55.300 -0.057 0.000 1.095 158 M CB -0.691 31.756 32.600 -0.255 0.000 1.365 158 M HN 0.080 nan 8.290 nan 0.000 0.406 159 T N -1.636 112.948 114.554 0.050 0.000 3.007 159 T HA -0.114 4.255 4.350 0.031 0.000 0.270 159 T C 1.208 175.979 174.700 0.117 0.000 1.107 159 T CA 1.314 63.463 62.100 0.083 0.000 1.118 159 T CB -0.715 68.197 68.868 0.073 0.000 0.889 159 T HN 0.776 nan 8.240 nan 0.000 0.506 160 E N 1.425 121.698 120.200 0.121 0.000 2.501 160 E HA 0.233 4.601 4.350 0.031 0.000 0.200 160 E C 0.675 177.369 176.600 0.156 0.000 1.016 160 E CA -0.371 56.107 56.400 0.129 0.000 0.921 160 E CB 0.246 30.015 29.700 0.114 0.000 1.034 160 E HN 0.531 nan 8.360 nan 0.000 0.468 161 S N 0.208 116.015 115.700 0.178 0.000 2.713 161 S HA 0.185 4.674 4.470 0.031 0.000 0.283 161 S C 0.327 175.051 174.600 0.206 0.000 1.161 161 S CA -0.730 57.592 58.200 0.204 0.000 0.999 161 S CB 1.449 64.794 63.200 0.242 0.000 1.039 161 S HN 0.050 nan 8.310 nan 0.000 0.548 162 D N 0.636 121.155 120.400 0.198 0.000 2.342 162 D HA 0.177 4.836 4.640 0.031 0.000 0.221 162 D C 0.203 176.629 176.300 0.210 0.000 1.101 162 D CA -0.024 54.081 54.000 0.176 0.000 0.837 162 D CB 0.019 40.896 40.800 0.129 0.000 0.938 162 D HN 0.438 nan 8.370 nan 0.000 0.508 163 L N 1.588 122.977 121.223 0.278 0.000 2.615 163 L HA -0.086 4.272 4.340 0.031 0.000 0.284 163 L C 1.213 178.280 176.870 0.329 0.000 1.237 163 L CA 0.625 55.671 54.840 0.343 0.000 0.905 163 L CB 0.701 42.984 42.059 0.373 0.000 1.149 163 L HN -0.071 nan 8.230 nan 0.000 0.499 164 D N 3.181 123.756 120.400 0.293 0.000 2.355 164 D HA 0.077 4.736 4.640 0.031 0.000 0.206 164 D C -0.261 176.207 176.300 0.280 0.000 1.010 164 D CA 0.824 54.948 54.000 0.208 0.000 0.875 164 D CB 0.712 41.666 40.800 0.257 0.000 0.966 164 D HN 0.289 nan 8.370 nan 0.000 0.512 165 F N 1.180 121.264 119.950 0.223 0.000 2.615 165 F HA 0.398 4.943 4.527 0.031 0.000 0.312 165 F C -1.907 174.052 175.800 0.264 0.000 1.119 165 F CA -1.152 56.908 58.000 0.099 0.000 0.979 165 F CB 1.456 40.480 39.000 0.040 0.000 1.266 165 F HN -0.219 nan 8.300 nan 0.000 0.444 166 F N 3.262 123.072 119.950 -0.234 0.000 2.631 166 F HA 0.958 5.507 4.527 0.038 0.000 0.308 166 F C -1.674 174.013 175.800 -0.190 0.000 1.097 166 F CA -1.178 56.795 58.000 -0.043 0.000 0.952 166 F CB 1.422 40.412 39.000 -0.017 0.000 1.307 166 F HN 0.686 nan 8.300 nan 0.000 0.450 167 A N 1.628 124.628 122.820 0.300 0.000 2.437 167 A HA 0.953 5.292 4.320 0.031 0.000 0.293 167 A C -0.487 177.405 177.584 0.513 0.000 1.038 167 A CA -0.071 52.174 52.037 0.346 0.000 0.708 167 A CB 1.099 20.277 19.000 0.297 0.000 1.251 167 A HN 2.253 nan 8.150 nan 0.000 0.409 168 G N 0.040 109.118 108.800 0.464 0.000 2.325 168 G HA2 0.637 4.616 3.960 0.031 0.000 0.295 168 G HA3 0.637 4.616 3.960 0.031 0.000 0.295 168 G C 0.018 175.017 174.900 0.166 0.000 1.274 168 G CA 0.338 45.639 45.100 0.335 0.000 0.857 168 G HN 1.506 nan 8.290 nan 0.000 0.499 169 G N -2.069 106.811 108.800 0.134 0.000 2.510 169 G HA2 0.606 4.585 3.960 0.031 0.000 0.280 169 G HA3 0.606 4.585 3.960 0.031 0.000 0.280 169 G C 1.080 176.128 174.900 0.245 0.000 1.386 169 G CA 0.635 45.819 45.100 0.138 0.000 1.047 169 G HN 2.348 nan 8.290 nan 0.000 0.527 170 G N -2.015 106.960 108.800 0.291 0.000 2.131 170 G HA2 -0.110 3.869 3.960 0.031 0.000 0.201 170 G HA3 -0.110 3.869 3.960 0.031 0.000 0.201 170 G C 1.003 176.205 174.900 0.504 0.000 1.000 170 G CA 0.595 45.985 45.100 0.483 0.000 0.680 170 G HN 1.076 nan 8.290 nan 0.000 0.514 171 L N 0.881 122.274 121.223 0.283 0.000 2.129 171 L HA -0.012 4.346 4.340 0.031 0.000 0.212 171 L C 2.319 179.319 176.870 0.217 0.000 1.087 171 L CA 2.835 57.814 54.840 0.231 0.000 0.757 171 L CB -0.447 41.672 42.059 0.099 0.000 0.896 171 L HN 0.351 nan 8.230 nan 0.000 0.434 172 N N -0.988 117.742 118.700 0.050 0.000 2.149 172 N HA -0.226 4.532 4.740 0.031 0.000 0.188 172 N C 1.597 176.971 175.510 -0.228 0.000 1.019 172 N CA 1.657 54.605 53.050 -0.170 0.000 0.857 172 N CB -0.460 37.785 38.487 -0.404 0.000 0.997 172 N HN 0.534 nan 8.380 nan 0.000 0.426 173 Y N -1.299 119.041 120.300 0.066 0.000 2.583 173 Y HA 0.058 4.629 4.550 0.034 0.000 0.293 173 Y C 1.159 176.860 175.900 -0.333 0.000 1.157 173 Y CA 0.329 58.344 58.100 -0.141 0.000 1.315 173 Y CB -0.221 38.105 38.460 -0.224 0.000 1.021 173 Y HN 0.013 nan 8.280 nan 0.000 0.536 174 F N -1.975 118.022 119.950 0.078 0.000 2.694 174 F HA 0.062 4.613 4.527 0.040 0.000 0.292 174 F C 1.917 177.721 175.800 0.006 0.000 1.121 174 F CA 0.853 58.875 58.000 0.035 0.000 1.352 174 F CB 0.250 39.264 39.000 0.023 0.000 1.107 174 F HN -0.016 nan 8.300 nan 0.000 0.597 175 T N -4.035 110.607 114.554 0.147 0.000 3.009 175 T HA 0.230 4.599 4.350 0.031 0.000 0.267 175 T C 0.518 175.228 174.700 0.017 0.000 0.942 175 T CA -0.253 61.893 62.100 0.076 0.000 0.883 175 T CB 0.020 68.931 68.868 0.072 0.000 1.192 175 T HN -0.075 nan 8.240 nan 0.000 0.524 176 K N 1.933 122.321 120.400 -0.019 0.000 2.877 176 K HA 0.449 4.788 4.320 0.031 0.000 0.176 176 K C -0.709 175.848 176.600 -0.071 0.000 1.075 176 K CA -0.321 55.936 56.287 -0.050 0.000 0.939 176 K CB 1.260 33.716 32.500 -0.073 0.000 1.237 176 K HN 0.224 nan 8.250 nan 0.000 0.607 177 R N 0.603 121.078 120.500 -0.042 0.000 2.720 177 R HA 0.307 4.665 4.340 0.031 0.000 0.272 177 R C 1.006 177.291 176.300 -0.025 0.000 0.991 177 R CA -0.948 55.130 56.100 -0.038 0.000 1.010 177 R CB 1.062 31.346 30.300 -0.026 0.000 1.141 177 R HN -0.032 nan 8.270 nan 0.000 0.494 178 K N 1.286 121.674 120.400 -0.019 0.000 2.103 178 K HA -0.168 4.171 4.320 0.031 0.000 0.207 178 K C 0.970 177.564 176.600 -0.009 0.000 1.048 178 K CA 1.830 58.109 56.287 -0.013 0.000 0.930 178 K CB -0.131 32.365 32.500 -0.007 0.000 0.716 178 K HN 0.680 nan 8.250 nan 0.000 0.444 179 D N -0.082 120.313 120.400 -0.007 0.000 2.340 179 D HA -0.029 4.629 4.640 0.031 0.000 0.220 179 D C 0.107 176.405 176.300 -0.002 0.000 1.039 179 D CA 0.047 54.045 54.000 -0.004 0.000 0.866 179 D CB 0.025 40.823 40.800 -0.002 0.000 0.913 179 D HN 0.063 nan 8.370 nan 0.000 0.523 180 K N -0.967 119.430 120.400 -0.005 0.000 3.426 180 K HA -0.229 4.109 4.320 0.031 0.000 0.315 180 K C -0.187 176.416 176.600 0.005 0.000 1.293 180 K CA 0.915 57.201 56.287 -0.002 0.000 0.955 180 K CB -1.190 31.309 32.500 -0.002 0.000 1.238 180 K HN 0.316 nan 8.250 nan 0.000 0.441 181 K N 1.186 121.590 120.400 0.007 0.000 2.219 181 K HA 0.058 4.397 4.320 0.031 0.000 0.258 181 K C 0.053 176.669 176.600 0.026 0.000 1.008 181 K CA -0.250 56.046 56.287 0.015 0.000 0.928 181 K CB 0.441 32.950 32.500 0.015 0.000 0.983 181 K HN -0.005 nan 8.250 nan 0.000 0.484 182 D N 2.063 122.483 120.400 0.034 0.000 2.485 182 D HA 0.087 4.746 4.640 0.031 0.000 0.229 182 D C 0.521 176.863 176.300 0.069 0.000 1.101 182 D CA -0.340 53.690 54.000 0.050 0.000 0.906 182 D CB 0.777 41.599 40.800 0.038 0.000 1.019 182 D HN 0.172 nan 8.370 nan 0.000 0.516 183 V N 3.922 123.899 119.914 0.105 0.000 2.759 183 V HA -0.183 3.955 4.120 0.031 0.000 0.256 183 V C 2.416 178.598 176.094 0.147 0.000 1.080 183 V CA 1.078 63.462 62.300 0.140 0.000 1.101 183 V CB -0.443 31.492 31.823 0.186 0.000 0.698 183 V HN 0.609 nan 8.190 nan 0.000 0.477 184 L N 0.213 121.510 121.223 0.124 0.000 2.093 184 L HA -0.131 4.227 4.340 0.031 0.000 0.208 184 L C 2.779 179.669 176.870 0.032 0.000 1.085 184 L CA 1.443 56.308 54.840 0.041 0.000 0.755 184 L CB -0.862 41.202 42.059 0.009 0.000 0.904 184 L HN 0.373 nan 8.230 nan 0.000 0.435 185 A N 0.736 123.581 122.820 0.042 0.000 1.908 185 A HA -0.194 4.145 4.320 0.031 0.000 0.218 185 A C 2.198 179.811 177.584 0.048 0.000 1.181 185 A CA 1.644 53.703 52.037 0.037 0.000 0.627 185 A CB -0.639 18.381 19.000 0.034 0.000 0.818 185 A HN 0.368 nan 8.150 nan 0.000 0.445 186 I N -0.482 120.122 120.570 0.056 0.000 2.252 186 I HA -0.240 3.948 4.170 0.031 0.000 0.245 186 I C 2.384 178.550 176.117 0.082 0.000 1.102 186 I CA 1.012 62.351 61.300 0.064 0.000 1.385 186 I CB -0.419 37.619 38.000 0.063 0.000 1.064 186 I HN 0.274 nan 8.210 nan 0.000 0.414 187 L N 0.647 121.910 121.223 0.067 0.000 2.046 187 L HA -0.222 4.137 4.340 0.031 0.000 0.208 187 L C 2.577 179.559 176.870 0.186 0.000 1.077 187 L CA 1.599 56.487 54.840 0.080 0.000 0.747 187 L CB -0.554 41.426 42.059 -0.131 0.000 0.896 187 L HN 0.197 nan 8.230 nan 0.000 0.432 188 K N -0.129 120.337 120.400 0.110 0.000 2.147 188 K HA -0.117 4.221 4.320 0.031 0.000 0.205 188 K C 2.061 178.718 176.600 0.095 0.000 1.049 188 K CA 1.176 57.524 56.287 0.102 0.000 0.936 188 K CB -0.413 32.115 32.500 0.047 0.000 0.722 188 K HN 0.404 nan 8.250 nan 0.000 0.446 189 G N 1.120 109.972 108.800 0.087 0.000 2.443 189 G HA2 -0.194 3.784 3.960 0.031 0.000 0.219 189 G HA3 -0.194 3.784 3.960 0.031 0.000 0.219 189 G C 1.105 176.061 174.900 0.094 0.000 1.131 189 G CA 0.477 45.622 45.100 0.076 0.000 0.775 189 G HN 0.208 nan 8.290 nan 0.000 0.547 190 N N 0.391 119.179 118.700 0.147 0.000 2.362 190 N HA 0.122 4.881 4.740 0.031 0.000 0.204 190 N C 0.764 176.359 175.510 0.142 0.000 1.166 190 N CA 0.070 53.224 53.050 0.173 0.000 0.831 190 N CB 0.225 38.874 38.487 0.271 0.000 1.008 190 N HN 0.437 nan 8.380 nan 0.000 0.472 191 Q N -1.930 117.931 119.800 0.102 0.000 2.431 191 Q HA -0.192 4.167 4.340 0.031 0.000 0.230 191 Q C -0.821 175.163 176.000 -0.027 0.000 0.701 191 Q CA 0.450 56.268 55.803 0.024 0.000 1.290 191 Q CB -1.915 26.812 28.738 -0.018 0.000 1.362 191 Q HN 0.296 nan 8.270 nan 0.000 0.762 192 F N 1.052 120.997 119.950 -0.010 0.000 2.443 192 F HA 0.170 4.717 4.527 0.033 0.000 0.353 192 F C 1.206 176.935 175.800 -0.117 0.000 1.101 192 F CA 0.567 58.526 58.000 -0.068 0.000 1.226 192 F CB 1.136 40.100 39.000 -0.059 0.000 1.140 192 F HN -0.250 nan 8.300 nan 0.000 0.557 193 T N 5.434 119.976 114.554 -0.021 0.000 2.837 193 T HA 0.493 4.861 4.350 0.031 0.000 0.285 193 T C -0.273 174.298 174.700 -0.215 0.000 0.984 193 T CA -0.413 61.620 62.100 -0.111 0.000 1.049 193 T CB 0.722 69.492 68.868 -0.164 0.000 0.947 193 T HN 0.133 nan 8.240 nan 0.000 0.472 194 I N 3.840 124.279 120.570 -0.219 0.000 2.465 194 I HA 0.412 4.600 4.170 0.031 0.000 0.291 194 I C -0.115 175.820 176.117 -0.303 0.000 1.014 194 I CA -0.886 60.230 61.300 -0.307 0.000 1.093 194 I CB 1.807 39.683 38.000 -0.206 0.000 1.267 194 I HN 0.541 nan 8.210 nan 0.000 0.431 195 N N 3.878 122.336 118.700 -0.404 0.000 2.399 195 N HA 0.324 5.083 4.740 0.031 0.000 0.280 195 N C 0.112 175.570 175.510 -0.088 0.000 1.008 195 N CA -0.163 52.745 53.050 -0.237 0.000 0.894 195 N CB 1.853 40.161 38.487 -0.299 0.000 1.273 195 N HN 0.669 nan 8.380 nan 0.000 0.486 196 T N -0.678 113.857 114.554 -0.031 0.000 3.182 196 T HA 0.218 4.587 4.350 0.031 0.000 0.277 196 T C 0.632 175.350 174.700 0.030 0.000 1.013 196 T CA -0.090 62.012 62.100 0.003 0.000 0.900 196 T CB 0.069 68.927 68.868 -0.017 0.000 1.098 196 T HN 0.326 nan 8.240 nan 0.000 0.543 197 T N 1.433 116.018 114.554 0.052 0.000 3.087 197 T HA 0.729 5.098 4.350 0.031 0.000 0.237 197 T C 0.640 175.376 174.700 0.060 0.000 0.990 197 T CA 0.508 62.635 62.100 0.045 0.000 1.160 197 T CB 0.330 69.220 68.868 0.036 0.000 0.923 197 T HN 0.702 nan 8.240 nan 0.000 0.442 198 A N 0.110 122.992 122.820 0.105 0.000 2.586 198 A HA 0.622 4.961 4.320 0.031 0.000 0.291 198 A C -1.701 175.936 177.584 0.089 0.000 1.062 198 A CA -0.824 51.259 52.037 0.077 0.000 0.666 198 A CB 0.260 19.287 19.000 0.045 0.000 1.281 198 A HN 0.251 nan 8.150 nan 0.000 0.421 199 L N 2.119 123.298 121.223 -0.074 0.000 2.455 199 L HA 0.325 4.684 4.340 0.031 0.000 0.272 199 L C 0.984 177.801 176.870 -0.088 0.000 1.174 199 L CA 0.416 55.061 54.840 -0.325 0.000 0.869 199 L CB 0.860 42.751 42.059 -0.279 0.000 1.130 199 L HN 1.007 nan 8.230 nan 0.000 0.474 200 T N -0.969 113.586 114.554 0.001 0.000 2.949 200 T HA 0.350 4.719 4.350 0.031 0.000 0.287 200 T C -0.275 174.472 174.700 0.079 0.000 1.034 200 T CA -1.175 60.982 62.100 0.095 0.000 1.018 200 T CB 1.639 70.616 68.868 0.182 0.000 1.135 200 T HN 0.314 nan 8.240 nan 0.000 0.532 201 D N 0.168 120.613 120.400 0.076 0.000 2.378 201 D HA 0.084 4.743 4.640 0.031 0.000 0.238 201 D C 0.703 177.099 176.300 0.161 0.000 1.180 201 D CA -0.480 53.576 54.000 0.094 0.000 0.895 201 D CB 0.245 41.084 40.800 0.064 0.000 1.192 201 D HN 0.515 nan 8.370 nan 0.000 0.438 202 F N 1.666 121.637 119.950 0.036 0.000 2.216 202 F HA -0.217 4.328 4.527 0.030 0.000 0.300 202 F C 2.295 178.138 175.800 0.072 0.000 1.085 202 F CA 1.623 59.660 58.000 0.063 0.000 1.326 202 F CB -0.432 38.586 39.000 0.031 0.000 1.027 202 F HN 0.307 nan 8.300 nan 0.000 0.497 203 S N -1.368 114.246 115.700 -0.143 0.000 2.442 203 S HA -0.149 4.339 4.470 0.031 0.000 0.236 203 S C 2.023 176.522 174.600 -0.170 0.000 1.007 203 S CA 1.234 59.296 58.200 -0.230 0.000 0.965 203 S CB -0.865 62.285 63.200 -0.084 0.000 0.773 203 S HN 0.337 nan 8.310 nan 0.000 0.504 204 S N 1.623 117.275 115.700 -0.080 0.000 2.489 204 S HA 0.244 4.733 4.470 0.031 0.000 0.228 204 S C 1.547 176.117 174.600 -0.050 0.000 0.995 204 S CA 0.897 59.074 58.200 -0.040 0.000 0.934 204 S CB -0.386 62.827 63.200 0.021 0.000 0.771 204 S HN 0.874 nan 8.310 nan 0.000 0.522 205 I N -2.830 117.702 120.570 -0.064 0.000 4.240 205 I HA 0.533 4.722 4.170 0.031 0.000 0.331 205 I C 1.628 177.768 176.117 0.038 0.000 1.381 205 I CA -0.076 61.221 61.300 -0.006 0.000 1.136 205 I CB 0.026 38.060 38.000 0.056 0.000 1.137 205 I HN 0.041 nan 8.210 nan 0.000 0.411 206 A N 1.216 123.876 122.820 -0.265 0.000 2.070 206 A HA -0.053 4.285 4.320 0.031 0.000 0.220 206 A C 2.148 179.673 177.584 -0.099 0.000 1.159 206 A CA 1.992 53.800 52.037 -0.381 0.000 0.656 206 A CB -0.507 17.989 19.000 -0.841 0.000 0.800 206 A HN 0.489 nan 8.150 nan 0.000 0.453 207 S N -0.171 115.493 115.700 -0.059 0.000 2.540 207 S HA 0.111 4.599 4.470 0.031 0.000 0.218 207 S C 0.301 174.913 174.600 0.020 0.000 0.977 207 S CA -0.575 57.608 58.200 -0.028 0.000 0.918 207 S CB -0.203 62.969 63.200 -0.046 0.000 0.806 207 S HN 0.678 nan 8.310 nan 0.000 0.496 208 N N 1.412 120.170 118.700 0.097 0.000 2.503 208 N HA 0.204 4.963 4.740 0.031 0.000 0.267 208 N C 1.083 176.700 175.510 0.179 0.000 1.214 208 N CA -0.442 52.677 53.050 0.115 0.000 0.959 208 N CB 0.578 39.117 38.487 0.088 0.000 1.142 208 N HN -0.009 nan 8.380 nan 0.000 0.455 209 R N 1.678 122.227 120.500 0.083 0.000 2.080 209 R HA 0.132 4.490 4.340 0.031 0.000 0.222 209 R C -0.420 175.954 176.300 0.123 0.000 1.107 209 R CA 1.609 57.739 56.100 0.050 0.000 0.980 209 R CB 0.273 30.562 30.300 -0.018 0.000 0.879 209 R HN 0.506 nan 8.270 nan 0.000 0.439 210 K N -0.801 119.588 120.400 -0.018 0.000 2.477 210 K HA 0.399 4.737 4.320 0.031 0.000 0.255 210 K C -1.550 174.803 176.600 -0.412 0.000 0.952 210 K CA -1.064 55.060 56.287 -0.272 0.000 0.826 210 K CB 2.213 34.094 32.500 -1.032 0.000 1.331 210 K HN -0.071 nan 8.250 nan 0.000 0.437 211 M N 0.888 120.135 119.600 -0.587 0.000 2.326 211 M HA 0.522 5.020 4.480 0.031 0.000 0.292 211 M C -1.425 174.339 176.300 -0.894 0.000 1.081 211 M CA -0.244 54.607 55.300 -0.748 0.000 0.919 211 M CB 2.279 34.214 32.600 -1.108 0.000 1.634 211 M HN 0.653 nan 8.290 nan 0.000 0.451 212 G N 3.795 111.994 108.800 -1.002 0.000 2.643 212 G HA2 0.691 4.669 3.960 0.031 0.000 0.305 212 G HA3 0.691 4.669 3.960 0.031 0.000 0.305 212 G C -2.005 172.122 174.900 -1.288 0.000 1.387 212 G CA -0.359 43.700 45.100 -1.736 0.000 0.982 212 G HN 0.533 nan 8.290 nan 0.000 0.501 213 F N 1.461 120.890 119.950 -0.869 0.000 2.426 213 F HA 0.517 5.061 4.527 0.030 0.000 0.348 213 F C 0.235 175.942 175.800 -0.154 0.000 1.124 213 F CA -0.678 57.100 58.000 -0.370 0.000 1.008 213 F CB 2.216 41.095 39.000 -0.201 0.000 1.139 213 F HN 0.076 nan 8.300 nan 0.000 0.452 214 L N 5.762 127.016 121.223 0.050 0.000 2.384 214 L HA 0.371 4.730 4.340 0.031 0.000 0.261 214 L C 0.061 176.970 176.870 0.064 0.000 1.024 214 L CA -0.037 54.843 54.840 0.067 0.000 0.899 214 L CB 0.976 43.018 42.059 -0.030 0.000 1.243 214 L HN 0.715 nan 8.230 nan 0.000 0.449 215 L N 2.499 123.757 121.223 0.058 0.000 2.769 215 L HA 0.581 4.940 4.340 0.031 0.000 0.240 215 L C 0.504 177.357 176.870 -0.028 0.000 1.163 215 L CA 0.011 54.856 54.840 0.008 0.000 0.962 215 L CB 0.241 42.277 42.059 -0.037 0.000 1.258 215 L HN 0.618 nan 8.230 nan 0.000 0.513 216 A N -1.215 121.609 122.820 0.007 0.000 2.608 216 A HA 0.376 4.715 4.320 0.031 0.000 0.292 216 A C -0.407 177.212 177.584 0.059 0.000 1.066 216 A CA -0.555 51.492 52.037 0.017 0.000 0.676 216 A CB 1.070 20.070 19.000 0.001 0.000 1.277 216 A HN -0.028 nan 8.150 nan 0.000 0.413 217 D N 0.294 120.722 120.400 0.047 0.000 2.117 217 D HA -0.055 4.603 4.640 0.031 0.000 0.198 217 D C 0.956 177.306 176.300 0.083 0.000 0.982 217 D CA 1.754 55.781 54.000 0.045 0.000 0.828 217 D CB 0.475 41.279 40.800 0.008 0.000 0.967 217 D HN 0.583 nan 8.370 nan 0.000 0.464 218 E N -0.023 120.241 120.200 0.107 0.000 4.092 218 E HA 0.496 4.864 4.350 0.031 0.000 0.295 218 E C 0.073 176.801 176.600 0.212 0.000 0.821 218 E CA -0.459 56.054 56.400 0.189 0.000 1.543 218 E CB -0.401 29.382 29.700 0.138 0.000 2.143 218 E HN -0.026 nan 8.360 nan 0.000 0.465 219 A N 1.978 124.934 122.820 0.226 0.000 2.425 219 A HA 0.277 4.616 4.320 0.031 0.000 0.242 219 A C 0.624 178.298 177.584 0.150 0.000 1.077 219 A CA -0.209 51.995 52.037 0.278 0.000 0.781 219 A CB -0.072 19.229 19.000 0.502 0.000 1.020 219 A HN 0.292 nan 8.150 nan 0.000 0.494 220 M N 1.227 120.870 119.600 0.072 0.000 2.250 220 M HA 0.150 4.649 4.480 0.031 0.000 0.325 220 M C -2.010 174.300 176.300 0.016 0.000 1.084 220 M CA -1.742 53.523 55.300 -0.060 0.000 1.161 220 M CB -0.990 31.461 32.600 -0.247 0.000 1.481 220 M HN 0.346 nan 8.290 nan 0.000 0.449 221 P HA 0.045 nan 4.420 nan 0.000 0.269 221 P C -0.180 177.138 177.300 0.031 0.000 1.217 221 P CA -0.059 63.047 63.100 0.010 0.000 0.783 221 P CB 0.114 31.804 31.700 -0.018 0.000 0.898 222 T N -0.886 113.690 114.554 0.036 0.000 2.813 222 T HA 0.118 4.487 4.350 0.031 0.000 0.297 222 T C 1.496 176.219 174.700 0.037 0.000 1.036 222 T CA -0.574 61.557 62.100 0.052 0.000 1.044 222 T CB 0.149 68.968 68.868 -0.082 0.000 0.993 222 T HN 0.103 nan 8.240 nan 0.000 0.535 223 M N 0.655 120.299 119.600 0.073 0.000 2.108 223 M HA -0.087 4.411 4.480 0.031 0.000 0.261 223 M C 2.178 178.497 176.300 0.031 0.000 1.066 223 M CA 1.756 57.092 55.300 0.059 0.000 1.107 223 M CB -1.563 31.086 32.600 0.082 0.000 1.356 223 M HN 0.800 nan 8.290 nan 0.000 0.406 224 E N -0.164 120.044 120.200 0.013 0.000 2.265 224 E HA -0.142 4.226 4.350 0.031 0.000 0.196 224 E C 1.245 177.832 176.600 -0.022 0.000 0.996 224 E CA 0.644 57.037 56.400 -0.011 0.000 0.832 224 E CB 0.045 29.720 29.700 -0.041 0.000 0.756 224 E HN 0.350 nan 8.360 nan 0.000 0.491 225 K N -0.389 119.995 120.400 -0.028 0.000 2.410 225 K HA 0.120 4.458 4.320 0.031 0.000 0.200 225 K C 0.632 177.226 176.600 -0.009 0.000 1.023 225 K CA 0.480 56.754 56.287 -0.023 0.000 1.149 225 K CB 1.186 33.667 32.500 -0.031 0.000 0.859 225 K HN 0.217 nan 8.250 nan 0.000 0.514 226 G N 2.211 111.012 108.800 0.001 0.000 2.142 226 G HA2 -0.302 3.676 3.960 0.031 0.000 0.225 226 G HA3 -0.302 3.676 3.960 0.031 0.000 0.225 226 G C 0.751 175.657 174.900 0.010 0.000 1.015 226 G CA 0.392 45.496 45.100 0.007 0.000 0.716 226 G HN 0.386 nan 8.290 nan 0.000 0.508 227 R N 0.333 120.842 120.500 0.014 0.000 2.152 227 R HA 0.237 4.596 4.340 0.031 0.000 0.232 227 R C 2.126 178.457 176.300 0.051 0.000 1.117 227 R CA 2.019 58.130 56.100 0.018 0.000 0.981 227 R CB -0.415 29.898 30.300 0.023 0.000 0.870 227 R HN 1.896 nan 8.270 nan 0.000 0.451 228 G N 0.625 109.453 108.800 0.048 0.000 2.575 228 G HA2 -0.396 3.583 3.960 0.031 0.000 0.267 228 G HA3 -0.396 3.583 3.960 0.031 0.000 0.267 228 G C -0.235 174.704 174.900 0.066 0.000 1.264 228 G CA 0.179 45.307 45.100 0.046 0.000 0.935 228 G HN 0.593 nan 8.290 nan 0.000 0.568 229 N N 0.970 119.696 118.700 0.045 0.000 2.758 229 N HA 0.260 5.019 4.740 0.031 0.000 0.293 229 N C 1.234 176.757 175.510 0.022 0.000 1.273 229 N CA 0.511 53.574 53.050 0.021 0.000 1.022 229 N CB -0.142 38.328 38.487 -0.029 0.000 1.334 229 N HN 0.666 nan 8.380 nan 0.000 0.519 230 F N 1.010 120.928 119.950 -0.054 0.000 2.091 230 F HA -0.220 4.325 4.527 0.030 0.000 0.299 230 F C 1.700 177.457 175.800 -0.071 0.000 1.103 230 F CA 1.189 59.148 58.000 -0.068 0.000 1.228 230 F CB -0.100 38.872 39.000 -0.047 0.000 0.984 230 F HN 0.218 nan 8.300 nan 0.000 0.477 231 L N 0.135 121.265 121.223 -0.155 0.000 2.017 231 L HA -0.163 4.196 4.340 0.031 0.000 0.208 231 L C 2.485 179.163 176.870 -0.321 0.000 1.073 231 L CA 2.273 56.944 54.840 -0.281 0.000 0.745 231 L CB -1.253 40.800 42.059 -0.009 0.000 0.894 231 L HN 0.191 nan 8.230 nan 0.000 0.432 232 S N -0.297 115.267 115.700 -0.227 0.000 2.356 232 S HA -0.135 4.353 4.470 0.031 0.000 0.223 232 S C 2.083 176.527 174.600 -0.262 0.000 1.032 232 S CA 1.096 59.158 58.200 -0.229 0.000 1.005 232 S CB -0.631 62.465 63.200 -0.174 0.000 0.867 232 S HN 0.661 nan 8.310 nan 0.000 0.449 233 A N 1.678 124.344 122.820 -0.257 0.000 1.883 233 A HA 0.042 4.380 4.320 0.031 0.000 0.217 233 A C 2.367 179.752 177.584 -0.332 0.000 1.186 233 A CA 1.848 53.733 52.037 -0.252 0.000 0.624 233 A CB -1.179 17.704 19.000 -0.196 0.000 0.822 233 A HN 0.526 nan 8.150 nan 0.000 0.444 234 A N -1.203 121.319 122.820 -0.496 0.000 1.933 234 A HA -0.064 4.275 4.320 0.031 0.000 0.218 234 A C 2.287 179.656 177.584 -0.358 0.000 1.175 234 A CA 2.260 54.011 52.037 -0.477 0.000 0.628 234 A CB -1.169 17.327 19.000 -0.840 0.000 0.814 234 A HN 0.447 nan 8.150 nan 0.000 0.444 235 T N -0.116 114.212 114.554 -0.377 0.000 2.737 235 T HA -0.115 4.253 4.350 0.031 0.000 0.265 235 T C 1.628 176.068 174.700 -0.433 0.000 1.038 235 T CA 1.407 63.285 62.100 -0.371 0.000 1.144 235 T CB -0.376 68.304 68.868 -0.313 0.000 0.866 235 T HN 0.418 nan 8.240 nan 0.000 0.434 236 D N 0.767 120.944 120.400 -0.373 0.000 2.123 236 D HA -0.054 4.605 4.640 0.031 0.000 0.196 236 D C 2.018 178.059 176.300 -0.431 0.000 0.992 236 D CA 0.651 54.423 54.000 -0.379 0.000 0.833 236 D CB -0.335 40.303 40.800 -0.270 0.000 0.954 236 D HN 0.116 nan 8.370 nan 0.000 0.455 237 L N 0.703 121.713 121.223 -0.355 0.000 2.046 237 L HA -0.089 4.270 4.340 0.031 0.000 0.208 237 L C 2.240 178.796 176.870 -0.522 0.000 1.077 237 L CA 1.649 56.326 54.840 -0.272 0.000 0.747 237 L CB -0.881 41.141 42.059 -0.062 0.000 0.896 237 L HN -0.032 nan 8.230 nan 0.000 0.432 238 A N -0.483 121.805 122.820 -0.888 0.000 1.877 238 A HA -0.202 4.136 4.320 0.031 0.000 0.216 238 A C 2.277 179.323 177.584 -0.897 0.000 1.186 238 A CA 2.038 53.283 52.037 -1.319 0.000 0.620 238 A CB -0.804 17.514 19.000 -1.138 0.000 0.822 238 A HN 0.437 nan 8.150 nan 0.000 0.443 239 I N -0.517 119.506 120.570 -0.911 0.000 2.163 239 I HA -0.343 3.845 4.170 0.031 0.000 0.243 239 I C 2.841 178.411 176.117 -0.913 0.000 1.085 239 I CA 1.742 62.326 61.300 -1.194 0.000 1.347 239 I CB -0.500 36.758 38.000 -1.238 0.000 1.044 239 I HN 0.447 nan 8.210 nan 0.000 0.408 240 Q N -0.242 119.113 119.800 -0.742 0.000 2.124 240 Q HA -0.222 4.137 4.340 0.031 0.000 0.202 240 Q C 2.199 177.872 176.000 -0.545 0.000 0.977 240 Q CA 1.726 57.072 55.803 -0.763 0.000 0.850 240 Q CB -0.181 27.844 28.738 -1.188 0.000 0.901 240 Q HN 0.479 nan 8.270 nan 0.000 0.429 241 F N 0.930 120.612 119.950 -0.447 0.000 2.128 241 F HA -0.097 4.449 4.527 0.031 0.000 0.295 241 F C 1.728 177.470 175.800 -0.096 0.000 1.100 241 F CA 1.055 59.028 58.000 -0.045 0.000 1.260 241 F CB 0.004 39.037 39.000 0.054 0.000 1.009 241 F HN -0.077 nan 8.300 nan 0.000 0.476 242 L N -0.030 121.069 121.223 -0.207 0.000 2.291 242 L HA -0.088 4.271 4.340 0.031 0.000 0.214 242 L C 2.139 178.938 176.870 -0.118 0.000 1.120 242 L CA 1.120 55.849 54.840 -0.185 0.000 0.799 242 L CB -0.740 41.227 42.059 -0.154 0.000 0.925 242 L HN 0.296 nan 8.230 nan 0.000 0.446 243 S N -1.654 113.946 115.700 -0.165 0.000 2.634 243 S HA 0.083 4.572 4.470 0.031 0.000 0.221 243 S C 0.679 175.271 174.600 -0.013 0.000 0.952 243 S CA -0.498 57.725 58.200 0.039 0.000 0.930 243 S CB -0.232 63.045 63.200 0.128 0.000 0.780 243 S HN 0.178 nan 8.310 nan 0.000 0.498 244 K N 2.130 122.472 120.400 -0.096 0.000 2.527 244 K HA -0.018 4.321 4.320 0.031 0.000 0.278 244 K C -0.124 176.451 176.600 -0.041 0.000 0.981 244 K CA 0.870 57.116 56.287 -0.067 0.000 1.009 244 K CB 0.077 32.475 32.500 -0.171 0.000 0.895 244 K HN 0.225 nan 8.250 nan 0.000 0.493 245 D N 1.760 122.152 120.400 -0.013 0.000 3.012 245 D HA -0.245 4.414 4.640 0.031 0.000 0.222 245 D C -0.088 176.219 176.300 0.012 0.000 1.167 245 D CA 1.250 55.246 54.000 -0.006 0.000 0.854 245 D CB -1.479 39.304 40.800 -0.027 0.000 1.107 245 D HN 0.882 nan 8.370 nan 0.000 0.421 246 N N -1.163 117.557 118.700 0.032 0.000 2.782 246 N HA -0.228 4.531 4.740 0.031 0.000 0.251 246 N C -0.410 175.138 175.510 0.062 0.000 1.101 246 N CA 1.306 54.388 53.050 0.053 0.000 0.764 246 N CB -0.882 37.628 38.487 0.039 0.000 1.122 246 N HN 0.472 nan 8.380 nan 0.000 0.561 247 S N -0.789 114.948 115.700 0.061 0.000 2.576 247 S HA 0.645 5.134 4.470 0.031 0.000 0.276 247 S C 0.645 175.324 174.600 0.131 0.000 1.339 247 S CA -0.011 58.231 58.200 0.071 0.000 1.039 247 S CB 0.636 63.862 63.200 0.044 0.000 0.902 247 S HN 0.530 nan 8.310 nan 0.000 0.516 248 A N 3.244 126.125 122.820 0.102 0.000 2.386 248 A HA 0.632 4.970 4.320 0.031 0.000 0.248 248 A C -0.286 177.393 177.584 0.158 0.000 1.082 248 A CA -0.407 51.686 52.037 0.094 0.000 0.789 248 A CB -0.185 18.885 19.000 0.116 0.000 1.025 248 A HN 1.070 nan 8.150 nan 0.000 0.490 249 F N -1.002 119.045 119.950 0.162 0.000 2.613 249 F HA 0.762 5.307 4.527 0.030 0.000 0.314 249 F C -1.255 174.720 175.800 0.291 0.000 1.075 249 F CA -1.911 56.174 58.000 0.142 0.000 0.945 249 F CB 1.309 40.334 39.000 0.043 0.000 1.310 249 F HN 0.495 nan 8.300 nan 0.000 0.467 250 F N 3.584 123.762 119.950 0.380 0.000 2.507 250 F HA 0.816 5.361 4.527 0.029 0.000 0.325 250 F C -1.667 174.334 175.800 0.335 0.000 1.116 250 F CA -1.169 57.061 58.000 0.382 0.000 0.930 250 F CB 1.260 40.460 39.000 0.333 0.000 1.146 250 F HN 0.508 nan 8.300 nan 0.000 0.447 251 I N 7.242 127.488 120.570 -0.539 0.000 2.545 251 I HA 0.378 4.567 4.170 0.031 0.000 0.292 251 I C -1.043 174.613 176.117 -0.769 0.000 1.040 251 I CA -0.863 60.166 61.300 -0.452 0.000 1.068 251 I CB 2.063 39.925 38.000 -0.230 0.000 1.251 251 I HN 0.541 nan 8.210 nan 0.000 0.424 252 M N 5.185 124.482 119.600 -0.504 0.000 2.181 252 M HA 0.471 4.970 4.480 0.031 0.000 0.323 252 M C -1.379 174.798 176.300 -0.204 0.000 1.004 252 M CA -0.107 54.934 55.300 -0.432 0.000 0.941 252 M CB 1.376 33.560 32.600 -0.693 0.000 1.579 252 M HN 0.475 nan 8.290 nan 0.000 0.427 253 S N 3.927 119.546 115.700 -0.134 0.000 2.473 253 S HA 0.475 4.963 4.470 0.031 0.000 0.307 253 S C -0.837 173.801 174.600 0.063 0.000 1.094 253 S CA -0.697 57.479 58.200 -0.040 0.000 1.070 253 S CB 1.931 65.077 63.200 -0.090 0.000 1.019 253 S HN 0.677 nan 8.310 nan 0.000 0.480 254 E N 1.961 122.224 120.200 0.105 0.000 2.176 254 E HA 0.447 4.815 4.350 0.031 0.000 0.267 254 E C -0.201 176.488 176.600 0.148 0.000 0.893 254 E CA -0.713 55.768 56.400 0.135 0.000 0.761 254 E CB 1.184 30.942 29.700 0.096 0.000 1.133 254 E HN 0.787 nan 8.360 nan 0.000 0.409 255 G N 2.845 111.747 108.800 0.170 0.000 2.741 255 G HA2 0.070 4.049 3.960 0.031 0.000 0.301 255 G HA3 0.070 4.049 3.960 0.031 0.000 0.301 255 G C 0.591 175.390 174.900 -0.168 0.000 0.834 255 G CA -0.269 44.867 45.100 0.060 0.000 1.683 255 G HN 0.464 nan 8.290 nan 0.000 0.506 256 S N 1.740 117.337 115.700 -0.171 0.000 2.406 256 S HA -0.102 4.387 4.470 0.031 0.000 0.228 256 S C 2.037 176.226 174.600 -0.685 0.000 1.020 256 S CA 0.799 58.808 58.200 -0.318 0.000 0.965 256 S CB 0.079 63.125 63.200 -0.256 0.000 0.798 256 S HN 0.708 nan 8.310 nan 0.000 0.488 257 Q N 0.062 119.448 119.800 -0.690 0.000 2.319 257 Q HA 0.309 4.667 4.340 0.031 0.000 0.202 257 Q C 1.482 177.121 176.000 -0.601 0.000 0.896 257 Q CA -0.058 55.181 55.803 -0.940 0.000 0.942 257 Q CB -0.100 28.303 28.738 -0.559 0.000 1.083 257 Q HN 0.516 nan 8.270 nan 0.000 0.510 258 I N 1.088 121.395 120.570 -0.437 0.000 2.208 258 I HA -0.301 3.887 4.170 0.031 0.000 0.245 258 I C 2.034 177.962 176.117 -0.315 0.000 1.097 258 I CA 1.609 62.694 61.300 -0.359 0.000 1.363 258 I CB -0.180 37.629 38.000 -0.320 0.000 1.051 258 I HN 0.217 nan 8.210 nan 0.000 0.413 259 D N 0.347 120.587 120.400 -0.266 0.000 2.117 259 D HA -0.230 4.429 4.640 0.031 0.000 0.197 259 D C 1.955 178.354 176.300 0.166 0.000 0.987 259 D CA 1.448 55.416 54.000 -0.053 0.000 0.829 259 D CB -0.046 40.810 40.800 0.093 0.000 0.961 259 D HN 0.260 nan 8.370 nan 0.000 0.460 260 W N 0.922 122.175 121.300 -0.078 0.000 2.402 260 W HA 0.228 4.905 4.660 0.029 0.000 0.286 260 W C 2.512 178.890 176.519 -0.234 0.000 1.221 260 W CA 0.844 58.174 57.345 -0.025 0.000 1.257 260 W CB -1.436 28.045 29.460 0.035 0.000 1.120 260 W HN 0.104 nan 8.180 nan 0.000 0.551 261 G N 0.775 109.312 108.800 -0.439 0.000 2.446 261 G HA2 -0.199 3.780 3.960 0.031 0.000 0.217 261 G HA3 -0.199 3.780 3.960 0.031 0.000 0.217 261 G C 1.906 176.721 174.900 -0.141 0.000 1.168 261 G CA 1.537 46.354 45.100 -0.471 0.000 0.771 261 G HN 0.368 nan 8.290 nan 0.000 0.551 262 G N -0.112 108.639 108.800 -0.081 0.000 2.459 262 G HA2 -0.248 3.730 3.960 0.031 0.000 0.217 262 G HA3 -0.248 3.730 3.960 0.031 0.000 0.217 262 G C 1.657 176.501 174.900 -0.093 0.000 1.183 262 G CA 1.143 46.247 45.100 0.008 0.000 0.776 262 G HN 0.482 nan 8.290 nan 0.000 0.552 263 H N 0.737 119.836 119.070 0.049 0.000 2.387 263 H HA 0.015 4.590 4.556 0.033 0.000 0.299 263 H C 2.807 178.098 175.328 -0.061 0.000 1.090 263 H CA 1.222 57.287 56.048 0.028 0.000 1.332 263 H CB -0.301 29.504 29.762 0.073 0.000 1.386 263 H HN 0.398 nan 8.280 nan 0.000 0.516 264 A N 0.545 123.396 122.820 0.052 0.000 2.235 264 A HA -0.057 4.281 4.320 0.031 0.000 0.208 264 A C 0.594 178.051 177.584 -0.212 0.000 1.172 264 A CA 0.208 52.238 52.037 -0.010 0.000 0.786 264 A CB -0.116 18.954 19.000 0.117 0.000 0.804 264 A HN 0.419 nan 8.150 nan 0.000 0.479 265 N N 0.020 118.393 118.700 -0.546 0.000 2.716 265 N HA -0.164 4.595 4.740 0.031 0.000 0.250 265 N C -0.585 174.444 175.510 -0.802 0.000 1.033 265 N CA 1.143 53.378 53.050 -1.360 0.000 0.727 265 N CB -1.469 36.565 38.487 -0.754 0.000 0.950 265 N HN 0.650 nan 8.380 nan 0.000 0.541 266 N N -0.056 118.432 118.700 -0.354 0.000 2.511 266 N HA 0.525 5.284 4.740 0.031 0.000 0.249 266 N C 0.782 176.434 175.510 0.236 0.000 0.971 266 N CA 0.256 53.334 53.050 0.046 0.000 0.938 266 N CB 1.113 39.704 38.487 0.173 0.000 1.131 266 N HN 0.180 nan 8.380 nan 0.000 0.505 267 A N 2.794 125.827 122.820 0.355 0.000 1.873 267 A HA -0.131 4.207 4.320 0.031 0.000 0.215 267 A C 2.087 179.768 177.584 0.162 0.000 1.186 267 A CA 1.976 54.243 52.037 0.384 0.000 0.616 267 A CB -0.720 18.471 19.000 0.319 0.000 0.823 267 A HN 0.744 nan 8.150 nan 0.000 0.442 268 S N -1.596 114.179 115.700 0.125 0.000 2.383 268 S HA -0.203 4.286 4.470 0.031 0.000 0.227 268 S C 1.999 176.693 174.600 0.157 0.000 1.026 268 S CA 1.420 59.670 58.200 0.083 0.000 0.981 268 S CB -0.720 62.521 63.200 0.067 0.000 0.818 268 S HN 0.554 nan 8.310 nan 0.000 0.472 269 Y N 2.445 122.766 120.300 0.036 0.000 2.114 269 Y HA 0.001 4.569 4.550 0.030 0.000 0.284 269 Y C 2.188 178.097 175.900 0.015 0.000 1.143 269 Y CA 1.209 59.331 58.100 0.037 0.000 1.135 269 Y CB -1.132 37.362 38.460 0.057 0.000 0.980 269 Y HN 0.365 nan 8.280 nan 0.000 0.499 270 L N -0.250 120.984 121.223 0.019 0.000 1.989 270 L HA -0.256 4.103 4.340 0.031 0.000 0.211 270 L C 2.435 179.224 176.870 -0.136 0.000 1.071 270 L CA 2.036 56.775 54.840 -0.168 0.000 0.749 270 L CB -0.540 41.410 42.059 -0.183 0.000 0.890 270 L HN 0.239 nan 8.230 nan 0.000 0.431 271 I N -0.530 119.987 120.570 -0.087 0.000 2.252 271 I HA -0.278 3.910 4.170 0.031 0.000 0.245 271 I C 2.722 178.856 176.117 0.028 0.000 1.102 271 I CA 1.365 62.633 61.300 -0.054 0.000 1.385 271 I CB -0.414 37.542 38.000 -0.072 0.000 1.064 271 I HN 0.449 nan 8.210 nan 0.000 0.414 272 S N 0.402 116.139 115.700 0.061 0.000 2.383 272 S HA -0.151 4.338 4.470 0.031 0.000 0.227 272 S C 1.820 176.472 174.600 0.086 0.000 1.026 272 S CA 0.857 59.109 58.200 0.087 0.000 0.981 272 S CB -0.336 62.927 63.200 0.105 0.000 0.818 272 S HN 0.389 nan 8.310 nan 0.000 0.472 273 E N 1.183 121.430 120.200 0.077 0.000 2.106 273 E HA 0.054 4.423 4.350 0.031 0.000 0.192 273 E C 2.014 178.639 176.600 0.042 0.000 0.984 273 E CA 0.853 57.280 56.400 0.045 0.000 0.806 273 E CB -0.393 29.284 29.700 -0.038 0.000 0.750 273 E HN 0.648 nan 8.360 nan 0.000 0.458 274 I N 1.341 121.922 120.570 0.019 0.000 2.617 274 I HA -0.183 4.005 4.170 0.031 0.000 0.256 274 I C 1.496 177.712 176.117 0.166 0.000 1.167 274 I CA 0.585 61.937 61.300 0.087 0.000 1.469 274 I CB 0.095 38.110 38.000 0.025 0.000 1.098 274 I HN -0.055 nan 8.210 nan 0.000 0.436 275 N N 1.026 119.793 118.700 0.111 0.000 2.166 275 N HA -0.243 4.516 4.740 0.031 0.000 0.186 275 N C 1.465 177.010 175.510 0.059 0.000 1.019 275 N CA 1.721 54.825 53.050 0.089 0.000 0.856 275 N CB -0.458 38.075 38.487 0.077 0.000 0.993 275 N HN 0.456 nan 8.380 nan 0.000 0.426 276 D N -0.184 120.260 120.400 0.072 0.000 2.097 276 D HA -0.148 4.510 4.640 0.031 0.000 0.195 276 D C 1.803 178.133 176.300 0.049 0.000 0.989 276 D CA 0.676 54.708 54.000 0.053 0.000 0.827 276 D CB -0.248 40.597 40.800 0.075 0.000 0.966 276 D HN 0.164 nan 8.370 nan 0.000 0.456 277 F N 0.991 120.913 119.950 -0.045 0.000 2.126 277 F HA -0.149 4.397 4.527 0.032 0.000 0.299 277 F C 1.885 177.609 175.800 -0.126 0.000 1.096 277 F CA 2.018 59.976 58.000 -0.071 0.000 1.255 277 F CB -0.573 38.400 39.000 -0.045 0.000 0.997 277 F HN -0.027 nan 8.300 nan 0.000 0.479 278 D N -0.341 120.009 120.400 -0.083 0.000 2.219 278 D HA -0.183 4.476 4.640 0.031 0.000 0.205 278 D C 1.701 177.818 176.300 -0.306 0.000 0.970 278 D CA 1.453 55.279 54.000 -0.290 0.000 0.851 278 D CB -0.215 40.508 40.800 -0.128 0.000 0.943 278 D HN 0.245 nan 8.370 nan 0.000 0.488 279 D N -0.268 120.010 120.400 -0.203 0.000 2.144 279 D HA -0.098 4.561 4.640 0.031 0.000 0.199 279 D C 1.986 178.133 176.300 -0.255 0.000 0.984 279 D CA 1.239 55.124 54.000 -0.193 0.000 0.834 279 D CB -0.443 40.284 40.800 -0.122 0.000 0.955 279 D HN 0.317 nan 8.370 nan 0.000 0.465 280 A N 0.549 123.179 122.820 -0.316 0.000 1.930 280 A HA -0.112 4.226 4.320 0.031 0.000 0.217 280 A C 2.339 179.671 177.584 -0.419 0.000 1.175 280 A CA 0.711 52.533 52.037 -0.359 0.000 0.627 280 A CB -0.627 18.137 19.000 -0.393 0.000 0.815 280 A HN 0.194 nan 8.150 nan 0.000 0.443 281 I N -0.243 119.999 120.570 -0.546 0.000 2.163 281 I HA -0.240 3.949 4.170 0.031 0.000 0.243 281 I C 2.731 178.639 176.117 -0.348 0.000 1.085 281 I CA 1.246 62.266 61.300 -0.467 0.000 1.347 281 I CB -0.738 36.927 38.000 -0.558 0.000 1.044 281 I HN 0.397 nan 8.210 nan 0.000 0.408 282 G N 0.168 108.770 108.800 -0.329 0.000 2.440 282 G HA2 -0.246 3.733 3.960 0.031 0.000 0.218 282 G HA3 -0.246 3.733 3.960 0.031 0.000 0.218 282 G C 1.648 176.412 174.900 -0.226 0.000 1.154 282 G CA 1.487 46.422 45.100 -0.274 0.000 0.767 282 G HN 0.292 nan 8.290 nan 0.000 0.552 283 T N 1.607 116.033 114.554 -0.214 0.000 2.684 283 T HA -0.025 4.343 4.350 0.031 0.000 0.267 283 T C 2.825 177.441 174.700 -0.139 0.000 1.036 283 T CA 1.702 63.697 62.100 -0.175 0.000 1.148 283 T CB -0.419 68.331 68.868 -0.196 0.000 0.863 283 T HN 0.383 nan 8.240 nan 0.000 0.436 284 A N 1.009 123.731 122.820 -0.163 0.000 1.902 284 A HA 0.043 4.382 4.320 0.031 0.000 0.217 284 A C 2.315 179.870 177.584 -0.047 0.000 1.181 284 A CA 1.144 53.129 52.037 -0.088 0.000 0.623 284 A CB -0.768 18.163 19.000 -0.116 0.000 0.818 284 A HN 0.476 nan 8.150 nan 0.000 0.443 285 L N -0.954 120.161 121.223 -0.180 0.000 2.109 285 L HA -0.137 4.221 4.340 0.031 0.000 0.207 285 L C 3.094 179.819 176.870 -0.241 0.000 1.086 285 L CA 0.904 55.565 54.840 -0.299 0.000 0.760 285 L CB -0.600 41.157 42.059 -0.503 0.000 0.910 285 L HN 0.436 nan 8.230 nan 0.000 0.437 286 A N 0.118 122.832 122.820 -0.175 0.000 1.908 286 A HA -0.279 4.060 4.320 0.031 0.000 0.218 286 A C 2.170 179.716 177.584 -0.064 0.000 1.181 286 A CA 1.678 53.636 52.037 -0.131 0.000 0.627 286 A CB -0.788 18.148 19.000 -0.107 0.000 0.818 286 A HN 0.418 nan 8.150 nan 0.000 0.445 287 F N 0.895 120.769 119.950 -0.126 0.000 2.113 287 F HA 0.013 4.559 4.527 0.032 0.000 0.297 287 F C 2.511 178.288 175.800 -0.038 0.000 1.103 287 F CA 1.256 59.209 58.000 -0.079 0.000 1.248 287 F CB -0.543 38.414 39.000 -0.071 0.000 0.999 287 F HN 0.240 nan 8.300 nan 0.000 0.475 288 A N 0.602 123.400 122.820 -0.036 0.000 1.883 288 A HA -0.227 4.112 4.320 0.031 0.000 0.217 288 A C 2.265 179.787 177.584 -0.102 0.000 1.186 288 A CA 2.019 54.016 52.037 -0.067 0.000 0.624 288 A CB -0.789 18.287 19.000 0.126 0.000 0.822 288 A HN 0.487 nan 8.150 nan 0.000 0.444 289 K N -0.527 119.807 120.400 -0.110 0.000 2.097 289 K HA -0.168 4.171 4.320 0.031 0.000 0.206 289 K C 2.223 178.758 176.600 -0.109 0.000 1.049 289 K CA 1.643 57.894 56.287 -0.059 0.000 0.933 289 K CB -0.127 32.282 32.500 -0.151 0.000 0.717 289 K HN 0.571 nan 8.250 nan 0.000 0.442 290 K N 1.344 121.629 120.400 -0.193 0.000 2.031 290 K HA -0.180 4.159 4.320 0.031 0.000 0.205 290 K C 1.747 178.193 176.600 -0.257 0.000 1.049 290 K CA 1.918 58.086 56.287 -0.200 0.000 0.939 290 K CB -0.060 32.323 32.500 -0.195 0.000 0.717 290 K HN 0.004 nan 8.250 nan 0.000 0.438 291 D N -1.061 119.066 120.400 -0.456 0.000 2.117 291 D HA -0.114 4.544 4.640 0.031 0.000 0.197 291 D C 1.172 177.337 176.300 -0.225 0.000 0.987 291 D CA 2.287 56.015 54.000 -0.454 0.000 0.829 291 D CB -0.048 40.250 40.800 -0.838 0.000 0.961 291 D HN 0.504 nan 8.370 nan 0.000 0.460 292 G N -0.056 108.643 108.800 -0.169 0.000 2.184 292 G HA2 -0.336 3.642 3.960 0.031 0.000 0.264 292 G HA3 -0.336 3.642 3.960 0.031 0.000 0.264 292 G C 0.868 175.719 174.900 -0.081 0.000 0.975 292 G CA 0.624 45.669 45.100 -0.092 0.000 0.642 292 G HN 0.452 nan 8.290 nan 0.000 0.536 293 N N 0.299 118.946 118.700 -0.088 0.000 2.365 293 N HA 0.276 5.035 4.740 0.031 0.000 0.257 293 N C -0.542 174.932 175.510 -0.060 0.000 1.287 293 N CA 0.506 53.517 53.050 -0.066 0.000 0.882 293 N CB 0.681 39.137 38.487 -0.052 0.000 1.250 293 N HN 0.218 nan 8.380 nan 0.000 0.507 294 T N 0.749 115.280 114.554 -0.038 0.000 2.841 294 T HA 0.342 4.710 4.350 0.031 0.000 0.285 294 T C -0.825 173.895 174.700 0.033 0.000 0.991 294 T CA -0.472 61.631 62.100 0.005 0.000 0.966 294 T CB 1.822 70.766 68.868 0.127 0.000 0.962 294 T HN 0.038 nan 8.240 nan 0.000 0.438 295 L N 5.399 126.623 121.223 0.001 0.000 2.265 295 L HA 0.648 5.007 4.340 0.031 0.000 0.288 295 L C -0.854 176.040 176.870 0.040 0.000 1.058 295 L CA -0.206 54.638 54.840 0.006 0.000 0.809 295 L CB 0.660 42.694 42.059 -0.042 0.000 1.179 295 L HN 0.420 nan 8.230 nan 0.000 0.429 296 V N 7.156 127.136 119.914 0.110 0.000 2.370 296 V HA 0.464 4.602 4.120 0.031 0.000 0.283 296 V C 0.087 176.225 176.094 0.074 0.000 1.023 296 V CA -0.361 62.011 62.300 0.119 0.000 0.857 296 V CB 1.353 33.296 31.823 0.200 0.000 0.985 296 V HN 0.627 nan 8.190 nan 0.000 0.443 297 I N 5.129 125.667 120.570 -0.053 0.000 2.406 297 I HA 0.520 4.709 4.170 0.031 0.000 0.290 297 I C -0.626 175.446 176.117 -0.075 0.000 0.999 297 I CA -0.692 60.507 61.300 -0.170 0.000 1.124 297 I CB 2.101 39.899 38.000 -0.338 0.000 1.289 297 I HN 0.273 nan 8.210 nan 0.000 0.441 298 V N 5.165 125.035 119.914 -0.074 0.000 2.448 298 V HA 0.678 4.816 4.120 0.031 0.000 0.295 298 V C -0.065 176.113 176.094 0.140 0.000 1.025 298 V CA -0.200 62.134 62.300 0.057 0.000 0.859 298 V CB 1.700 33.525 31.823 0.004 0.000 0.988 298 V HN 0.871 nan 8.190 nan 0.000 0.431 299 T N 2.900 117.527 114.554 0.122 0.000 2.645 299 T HA 0.613 4.982 4.350 0.031 0.000 0.300 299 T C -1.025 173.723 174.700 0.080 0.000 1.210 299 T CA -0.226 61.928 62.100 0.090 0.000 1.034 299 T CB 2.131 70.960 68.868 -0.064 0.000 1.537 299 T HN 0.601 nan 8.240 nan 0.000 0.492 300 S N 0.717 116.471 115.700 0.090 0.000 2.599 300 S HA 0.381 4.870 4.470 0.031 0.000 0.294 300 S C 0.285 175.018 174.600 0.222 0.000 1.094 300 S CA -0.621 57.611 58.200 0.053 0.000 0.931 300 S CB 1.719 64.885 63.200 -0.056 0.000 1.093 300 S HN 0.877 nan 8.310 nan 0.000 0.488 301 D N 0.416 120.883 120.400 0.113 0.000 2.234 301 D HA 0.021 4.680 4.640 0.031 0.000 0.205 301 D C 0.469 176.802 176.300 0.055 0.000 0.962 301 D CA 1.369 55.438 54.000 0.115 0.000 0.855 301 D CB -0.212 40.629 40.800 0.069 0.000 0.951 301 D HN 0.823 nan 8.370 nan 0.000 0.500 302 H N -4.021 115.027 119.070 -0.037 0.000 2.831 302 H HA 0.442 5.017 4.556 0.032 0.000 0.263 302 H C -1.319 173.947 175.328 -0.104 0.000 1.457 302 H CA -1.084 54.917 56.048 -0.078 0.000 1.130 302 H CB 0.458 30.124 29.762 -0.159 0.000 1.789 302 H HN -0.130 nan 8.280 nan 0.000 0.511 303 E N 0.442 120.701 120.200 0.097 0.000 2.222 303 E HA 0.465 4.834 4.350 0.031 0.000 0.272 303 E C -0.872 175.834 176.600 0.177 0.000 0.982 303 E CA -0.277 56.158 56.400 0.059 0.000 0.842 303 E CB 1.932 31.677 29.700 0.075 0.000 1.144 303 E HN 0.767 nan 8.360 nan 0.000 0.397 304 T N -0.037 114.572 114.554 0.092 0.000 2.952 304 T HA 0.544 4.912 4.350 0.031 0.000 0.305 304 T C 0.527 175.314 174.700 0.145 0.000 1.064 304 T CA 0.445 62.613 62.100 0.113 0.000 1.008 304 T CB 1.132 70.017 68.868 0.028 0.000 1.078 304 T HN 0.592 nan 8.240 nan 0.000 0.459 305 G N 2.027 110.936 108.800 0.182 0.000 2.213 305 G HA2 0.092 4.071 3.960 0.031 0.000 0.236 305 G HA3 0.092 4.071 3.960 0.031 0.000 0.236 305 G C 1.321 176.441 174.900 0.366 0.000 0.991 305 G CA 0.696 45.993 45.100 0.329 0.000 0.629 305 G HN 2.438 nan 8.290 nan 0.000 0.517 306 G N -0.387 108.548 108.800 0.226 0.000 2.249 306 G HA2 -0.072 3.906 3.960 0.031 0.000 0.273 306 G HA3 -0.072 3.906 3.960 0.031 0.000 0.273 306 G C 0.409 175.341 174.900 0.052 0.000 1.036 306 G CA 0.501 45.680 45.100 0.132 0.000 0.824 306 G HN 1.962 nan 8.290 nan 0.000 0.504 307 F N 1.727 121.609 119.950 -0.113 0.000 2.579 307 F HA 0.388 4.933 4.527 0.031 0.000 0.397 307 F C 0.652 176.274 175.800 -0.296 0.000 1.027 307 F CA 1.412 59.144 58.000 -0.446 0.000 1.217 307 F CB 0.590 39.408 39.000 -0.304 0.000 0.986 307 F HN 0.096 nan 8.300 nan 0.000 0.551 308 T N 7.976 121.943 114.554 -0.979 0.000 2.921 308 T HA 0.333 4.702 4.350 0.031 0.000 0.297 308 T C -0.012 174.232 174.700 -0.760 0.000 1.013 308 T CA -0.690 61.024 62.100 -0.642 0.000 0.990 308 T CB 1.237 69.884 68.868 -0.368 0.000 1.023 308 T HN 0.503 nan 8.240 nan 0.000 0.447 309 L N 2.740 123.652 121.223 -0.519 0.000 2.672 309 L HA 0.416 4.774 4.340 0.031 0.000 0.238 309 L C 1.211 177.883 176.870 -0.330 0.000 1.392 309 L CA -0.493 54.106 54.840 -0.401 0.000 1.238 309 L CB -0.750 41.142 42.059 -0.280 0.000 1.548 309 L HN 0.714 nan 8.230 nan 0.000 0.423 310 A N 0.776 123.405 122.820 -0.318 0.000 2.366 310 A HA 0.623 4.961 4.320 0.031 0.000 0.250 310 A C 0.728 178.175 177.584 -0.228 0.000 1.099 310 A CA -0.036 51.850 52.037 -0.253 0.000 0.794 310 A CB 0.412 19.293 19.000 -0.199 0.000 1.056 310 A HN 0.511 nan 8.150 nan 0.000 0.499 311 A N 0.550 123.232 122.820 -0.229 0.000 2.445 311 A HA 0.422 4.761 4.320 0.031 0.000 0.242 311 A C 0.667 178.205 177.584 -0.076 0.000 1.075 311 A CA -0.030 51.905 52.037 -0.169 0.000 0.777 311 A CB -0.064 18.862 19.000 -0.123 0.000 1.013 311 A HN 0.903 nan 8.150 nan 0.000 0.493 312 K N 0.938 121.310 120.400 -0.046 0.000 2.489 312 K HA 0.052 4.391 4.320 0.031 0.000 0.278 312 K C -0.674 175.884 176.600 -0.070 0.000 1.000 312 K CA 0.289 56.551 56.287 -0.040 0.000 1.012 312 K CB 0.229 32.718 32.500 -0.019 0.000 0.903 312 K HN 0.419 nan 8.250 nan 0.000 0.485 313 K N 3.132 123.478 120.400 -0.090 0.000 2.211 313 K HA 0.294 4.633 4.320 0.031 0.000 0.275 313 K C -0.727 175.737 176.600 -0.226 0.000 1.024 313 K CA -0.528 55.672 56.287 -0.145 0.000 0.887 313 K CB 1.165 33.613 32.500 -0.087 0.000 1.084 313 K HN 0.540 nan 8.250 nan 0.000 0.463 314 N N 1.581 120.000 118.700 -0.468 0.000 2.404 314 N HA 0.380 5.138 4.740 0.031 0.000 0.297 314 N C -1.061 174.222 175.510 -0.379 0.000 1.163 314 N CA -0.675 52.058 53.050 -0.527 0.000 0.864 314 N CB 1.352 39.296 38.487 -0.905 0.000 1.247 314 N HN 0.256 nan 8.380 nan 0.000 0.510 315 K N 0.780 121.106 120.400 -0.123 0.000 2.323 315 K HA 0.354 4.692 4.320 0.031 0.000 0.259 315 K C -0.608 176.084 176.600 0.154 0.000 0.947 315 K CA -0.698 55.605 56.287 0.027 0.000 0.819 315 K CB 1.330 33.840 32.500 0.017 0.000 1.109 315 K HN 0.498 nan 8.250 nan 0.000 0.429 316 R N 2.322 122.956 120.500 0.223 0.000 2.221 316 R HA 0.109 4.467 4.340 0.031 0.000 0.327 316 R C 0.332 176.687 176.300 0.092 0.000 1.033 316 R CA -0.569 55.632 56.100 0.168 0.000 0.887 316 R CB 0.679 31.064 30.300 0.143 0.000 1.057 316 R HN 0.580 nan 8.270 nan 0.000 0.455 317 E N 1.251 121.491 120.200 0.067 0.000 2.448 317 E HA -0.302 4.067 4.350 0.031 0.000 0.203 317 E C 0.371 176.994 176.600 0.037 0.000 1.046 317 E CA 1.948 58.375 56.400 0.045 0.000 0.871 317 E CB -0.116 29.605 29.700 0.036 0.000 0.790 317 E HN 0.893 nan 8.360 nan 0.000 0.545 318 D N -0.496 119.927 120.400 0.039 0.000 2.805 318 D HA 0.051 4.710 4.640 0.031 0.000 0.271 318 D C 1.980 178.301 176.300 0.034 0.000 1.166 318 D CA 0.596 54.613 54.000 0.029 0.000 1.004 318 D CB -0.841 39.972 40.800 0.021 0.000 1.136 318 D HN 0.096 nan 8.370 nan 0.000 0.444 319 G N -1.561 107.265 108.800 0.044 0.000 2.986 319 G HA2 0.333 4.311 3.960 0.031 0.000 0.213 319 G HA3 0.333 4.311 3.960 0.031 0.000 0.213 319 G C 0.755 175.694 174.900 0.065 0.000 1.156 319 G CA 0.580 45.709 45.100 0.047 0.000 0.763 319 G HN 0.338 nan 8.290 nan 0.000 0.547 320 S N -0.472 115.277 115.700 0.081 0.000 4.158 320 S HA -0.265 4.223 4.470 0.031 0.000 0.578 320 S C 0.502 175.172 174.600 0.116 0.000 1.866 320 S CA 1.427 59.675 58.200 0.081 0.000 4.250 320 S CB -0.918 62.311 63.200 0.048 0.000 0.204 320 S HN 0.591 nan 8.310 nan 0.000 0.455 321 E N 2.515 122.764 120.200 0.081 0.000 2.257 321 E HA 0.504 4.872 4.350 0.031 0.000 0.278 321 E C -0.629 176.055 176.600 0.139 0.000 1.049 321 E CA -0.225 56.206 56.400 0.052 0.000 0.876 321 E CB 0.347 30.061 29.700 0.023 0.000 1.035 321 E HN 0.455 nan 8.360 nan 0.000 0.419 322 Y N 0.271 120.583 120.300 0.019 0.000 2.638 322 Y HA 0.644 5.213 4.550 0.031 0.000 0.339 322 Y C -0.747 175.175 175.900 0.037 0.000 1.084 322 Y CA -1.345 56.766 58.100 0.019 0.000 1.068 322 Y CB 1.020 39.483 38.460 0.005 0.000 1.294 322 Y HN 0.157 nan 8.280 nan 0.000 0.480 323 S N 1.177 116.977 115.700 0.166 0.000 2.541 323 S HA 0.266 4.755 4.470 0.031 0.000 0.283 323 S C -1.350 173.366 174.600 0.193 0.000 1.196 323 S CA -0.544 57.734 58.200 0.130 0.000 1.062 323 S CB 0.833 64.206 63.200 0.289 0.000 1.009 323 S HN 0.657 nan 8.310 nan 0.000 0.502 324 D N 1.115 121.596 120.400 0.136 0.000 2.464 324 D HA 0.245 4.903 4.640 0.031 0.000 0.243 324 D C -0.279 176.170 176.300 0.249 0.000 1.104 324 D CA -0.544 53.562 54.000 0.177 0.000 0.883 324 D CB 0.207 41.054 40.800 0.078 0.000 1.050 324 D HN 0.408 nan 8.370 nan 0.000 0.524 325 Y N 1.467 121.781 120.300 0.023 0.000 2.639 325 Y HA -0.096 4.473 4.550 0.031 0.000 0.297 325 Y C 2.501 178.399 175.900 -0.004 0.000 1.151 325 Y CA 1.169 59.268 58.100 -0.000 0.000 1.335 325 Y CB -0.605 37.859 38.460 0.006 0.000 0.994 325 Y HN 0.465 nan 8.280 nan 0.000 0.548 326 T N -3.054 111.590 114.554 0.149 0.000 2.951 326 T HA -0.011 4.357 4.350 0.031 0.000 0.268 326 T C 0.564 175.287 174.700 0.038 0.000 1.073 326 T CA 0.614 62.765 62.100 0.084 0.000 1.134 326 T CB 0.093 69.007 68.868 0.077 0.000 0.884 326 T HN 0.232 nan 8.240 nan 0.000 0.479 327 E N -0.086 120.129 120.200 0.025 0.000 2.336 327 E HA 0.621 4.989 4.350 0.031 0.000 0.267 327 E C -1.124 175.452 176.600 -0.039 0.000 0.906 327 E CA -0.947 55.452 56.400 -0.001 0.000 0.781 327 E CB 2.421 32.138 29.700 0.028 0.000 1.261 327 E HN 0.252 nan 8.360 nan 0.000 0.436 328 I N 1.043 121.589 120.570 -0.040 0.000 2.353 328 I HA 0.350 4.539 4.170 0.031 0.000 0.293 328 I C 0.365 176.510 176.117 0.047 0.000 0.992 328 I CA -0.235 61.038 61.300 -0.044 0.000 1.268 328 I CB 1.392 39.355 38.000 -0.062 0.000 1.387 328 I HN 0.511 nan 8.210 nan 0.000 0.478 329 G N 6.682 115.464 108.800 -0.031 0.000 2.866 329 G HA2 0.516 4.495 3.960 0.031 0.000 0.318 329 G HA3 0.516 4.495 3.960 0.031 0.000 0.318 329 G C -2.826 172.005 174.900 -0.115 0.000 1.336 329 G CA -1.238 43.842 45.100 -0.032 0.000 1.067 329 G HN 0.269 nan 8.290 nan 0.000 0.515 330 P HA 0.161 nan 4.420 nan 0.000 0.264 330 P C 0.440 177.542 177.300 -0.328 0.000 1.183 330 P CA 0.366 63.241 63.100 -0.375 0.000 0.763 330 P CB 0.988 32.514 31.700 -0.290 0.000 0.807 331 T N -0.190 114.058 114.554 -0.510 0.000 2.887 331 T HA 0.790 5.158 4.350 0.031 0.000 0.292 331 T C -0.905 173.497 174.700 -0.496 0.000 1.087 331 T CA -0.679 61.250 62.100 -0.285 0.000 1.009 331 T CB 1.070 69.844 68.868 -0.156 0.000 1.203 331 T HN 0.069 nan 8.240 nan 0.000 0.518 332 F N -0.073 119.860 119.950 -0.028 0.000 2.613 332 F HA 0.601 5.147 4.527 0.031 0.000 0.314 332 F C 1.117 176.925 175.800 0.015 0.000 1.075 332 F CA -0.829 57.183 58.000 0.021 0.000 0.945 332 F CB 2.748 41.790 39.000 0.070 0.000 1.310 332 F HN 0.804 nan 8.300 nan 0.000 0.467 333 S N -1.573 114.259 115.700 0.219 0.000 2.687 333 S HA 0.279 4.767 4.470 0.031 0.000 0.247 333 S C 0.050 174.723 174.600 0.123 0.000 1.050 333 S CA 0.059 58.336 58.200 0.128 0.000 1.063 333 S CB 0.611 63.853 63.200 0.071 0.000 1.039 333 S HN 0.710 nan 8.310 nan 0.000 0.580 334 T N -0.595 114.055 114.554 0.160 0.000 2.843 334 T HA 0.598 4.967 4.350 0.031 0.000 0.302 334 T C 0.480 175.256 174.700 0.126 0.000 1.232 334 T CA 0.139 62.312 62.100 0.121 0.000 1.009 334 T CB 1.314 70.246 68.868 0.106 0.000 1.254 334 T HN 0.160 nan 8.240 nan 0.000 0.504 335 G N 0.365 109.226 108.800 0.103 0.000 3.088 335 G HA2 0.514 4.492 3.960 0.031 0.000 0.217 335 G HA3 0.514 4.492 3.960 0.031 0.000 0.217 335 G C 0.616 175.657 174.900 0.235 0.000 1.159 335 G CA 0.367 45.542 45.100 0.124 0.000 0.760 335 G HN 0.963 nan 8.290 nan 0.000 0.550 336 G N -1.167 107.734 108.800 0.168 0.000 3.107 336 G HA2 0.535 4.514 3.960 0.031 0.000 0.232 336 G HA3 0.535 4.514 3.960 0.031 0.000 0.232 336 G C -0.855 174.151 174.900 0.176 0.000 1.339 336 G CA -0.913 44.294 45.100 0.177 0.000 1.033 336 G HN 0.347 nan 8.290 nan 0.000 0.567 337 H N -1.003 118.100 119.070 0.056 0.000 2.597 337 H HA 0.473 5.047 4.556 0.029 0.000 0.370 337 H C 0.436 175.783 175.328 0.032 0.000 1.281 337 H CA 0.120 56.170 56.048 0.003 0.000 1.422 337 H CB 1.256 30.903 29.762 -0.192 0.000 1.524 337 H HN 0.563 nan 8.280 nan 0.000 0.607 338 S N -0.332 115.484 115.700 0.193 0.000 2.661 338 S HA 0.582 5.071 4.470 0.031 0.000 0.285 338 S C -0.014 174.646 174.600 0.100 0.000 1.138 338 S CA -0.582 57.690 58.200 0.121 0.000 0.855 338 S CB 1.877 65.138 63.200 0.102 0.000 1.136 338 S HN 0.737 nan 8.310 nan 0.000 0.484 339 A N 0.857 123.719 122.820 0.070 0.000 2.507 339 A HA 0.473 4.811 4.320 0.031 0.000 0.270 339 A C 0.887 178.498 177.584 0.045 0.000 1.318 339 A CA -0.043 52.028 52.037 0.056 0.000 0.924 339 A CB -0.989 18.036 19.000 0.042 0.000 1.061 339 A HN 0.923 nan 8.150 nan 0.000 0.516 340 T N 0.595 115.177 114.554 0.047 0.000 2.903 340 T HA 0.330 4.698 4.350 0.031 0.000 0.314 340 T C 0.418 175.130 174.700 0.021 0.000 1.078 340 T CA -0.154 61.964 62.100 0.029 0.000 1.114 340 T CB -0.188 68.696 68.868 0.028 0.000 0.987 340 T HN 0.320 nan 8.240 nan 0.000 0.548 341 L N 4.031 125.255 121.223 0.001 0.000 2.499 341 L HA 0.215 4.573 4.340 0.031 0.000 0.281 341 L C 0.391 177.249 176.870 -0.022 0.000 1.234 341 L CA -0.389 54.440 54.840 -0.019 0.000 0.839 341 L CB 0.110 42.143 42.059 -0.043 0.000 1.104 341 L HN 0.523 nan 8.230 nan 0.000 0.500 342 I N 2.572 123.123 120.570 -0.032 0.000 2.474 342 I HA 0.377 4.566 4.170 0.031 0.000 0.294 342 I C -2.227 173.836 176.117 -0.091 0.000 1.005 342 I CA -2.622 58.661 61.300 -0.027 0.000 1.113 342 I CB 1.563 39.578 38.000 0.025 0.000 1.289 342 I HN 0.229 nan 8.210 nan 0.000 0.436 343 P HA 0.179 nan 4.420 nan 0.000 0.271 343 P C -0.623 176.474 177.300 -0.338 0.000 1.216 343 P CA -0.132 62.786 63.100 -0.304 0.000 0.776 343 P CB 0.769 32.259 31.700 -0.350 0.000 0.881 344 V N 4.380 124.015 119.914 -0.464 0.000 2.448 344 V HA 0.444 4.583 4.120 0.031 0.000 0.295 344 V C -0.381 175.381 176.094 -0.553 0.000 1.025 344 V CA -0.309 61.802 62.300 -0.315 0.000 0.859 344 V CB 0.756 32.538 31.823 -0.069 0.000 0.988 344 V HN 0.350 nan 8.190 nan 0.000 0.431 345 F N 2.766 122.555 119.950 -0.269 0.000 2.495 345 F HA 0.847 5.393 4.527 0.030 0.000 0.327 345 F C 0.361 175.864 175.800 -0.495 0.000 1.103 345 F CA -0.615 57.058 58.000 -0.546 0.000 0.949 345 F CB 2.049 40.264 39.000 -1.309 0.000 1.142 345 F HN 0.559 nan 8.300 nan 0.000 0.457 346 A N 3.089 125.928 122.820 0.032 0.000 2.422 346 A HA 0.712 5.051 4.320 0.031 0.000 0.302 346 A C -2.302 175.563 177.584 0.468 0.000 1.041 346 A CA -0.651 51.471 52.037 0.142 0.000 0.708 346 A CB 1.156 20.110 19.000 -0.075 0.000 1.257 346 A HN 0.771 nan 8.150 nan 0.000 0.414 347 Y N 1.499 121.993 120.300 0.324 0.000 2.477 347 Y HA 0.631 5.199 4.550 0.031 0.000 0.347 347 Y C 0.381 176.322 175.900 0.068 0.000 0.981 347 Y CA 0.665 58.876 58.100 0.185 0.000 1.033 347 Y CB 1.943 40.433 38.460 0.051 0.000 1.245 347 Y HN 2.081 nan 8.280 nan 0.000 0.455 348 G N 4.028 112.404 108.800 -0.707 0.000 2.498 348 G HA2 -0.106 3.872 3.960 0.031 0.000 0.651 348 G HA3 -0.106 3.872 3.960 0.031 0.000 0.651 348 G C -3.187 171.577 174.900 -0.226 0.000 1.284 348 G CA -1.155 43.686 45.100 -0.432 0.000 0.950 348 G HN 0.551 nan 8.290 nan 0.000 0.511 349 P HA 0.355 nan 4.420 nan 0.000 0.262 349 P C 1.088 178.360 177.300 -0.045 0.000 1.182 349 P CA 2.263 65.306 63.100 -0.094 0.000 0.761 349 P CB 0.609 32.259 31.700 -0.084 0.000 0.795 350 G N 2.740 111.527 108.800 -0.022 0.000 2.179 350 G HA2 -0.327 3.651 3.960 0.031 0.000 0.260 350 G HA3 -0.327 3.651 3.960 0.031 0.000 0.260 350 G C 1.290 176.283 174.900 0.156 0.000 0.977 350 G CA 0.612 45.734 45.100 0.037 0.000 0.641 350 G HN 0.582 nan 8.290 nan 0.000 0.533 351 S N 0.057 115.827 115.700 0.117 0.000 2.419 351 S HA -0.055 4.434 4.470 0.031 0.000 0.233 351 S C 1.679 176.432 174.600 0.256 0.000 1.016 351 S CA 1.824 60.149 58.200 0.208 0.000 0.974 351 S CB -0.160 63.085 63.200 0.076 0.000 0.786 351 S HN 0.513 nan 8.310 nan 0.000 0.492 352 E N 1.282 121.555 120.200 0.123 0.000 2.265 352 E HA -0.059 4.309 4.350 0.031 0.000 0.196 352 E C 1.846 178.471 176.600 0.041 0.000 0.996 352 E CA 0.982 57.429 56.400 0.079 0.000 0.832 352 E CB -0.289 29.426 29.700 0.024 0.000 0.756 352 E HN 0.640 nan 8.360 nan 0.000 0.491 353 E N -0.666 119.529 120.200 -0.009 0.000 2.338 353 E HA -0.098 4.270 4.350 0.031 0.000 0.197 353 E C 0.349 176.699 176.600 -0.416 0.000 1.007 353 E CA 0.696 56.937 56.400 -0.265 0.000 0.849 353 E CB -0.045 29.386 29.700 -0.449 0.000 0.774 353 E HN 0.288 nan 8.360 nan 0.000 0.506 354 F N 0.074 120.009 119.950 -0.025 0.000 2.693 354 F HA 0.241 4.786 4.527 0.030 0.000 0.303 354 F C 1.028 176.946 175.800 0.196 0.000 1.097 354 F CA -0.426 57.604 58.000 0.049 0.000 1.330 354 F CB -0.145 38.906 39.000 0.085 0.000 1.067 354 F HN -0.013 nan 8.300 nan 0.000 0.565 355 I N -1.921 118.788 120.570 0.233 0.000 3.276 355 I HA 0.809 4.997 4.170 0.031 0.000 0.306 355 I C 1.073 177.337 176.117 0.245 0.000 1.060 355 I CA -0.253 61.167 61.300 0.200 0.000 1.133 355 I CB 0.005 38.072 38.000 0.112 0.000 1.473 355 I HN 0.229 nan 8.210 nan 0.000 0.649 356 G N 1.728 110.621 108.800 0.156 0.000 2.693 356 G HA2 -0.161 3.818 3.960 0.031 0.000 0.226 356 G HA3 -0.161 3.818 3.960 0.031 0.000 0.226 356 G C -0.810 174.181 174.900 0.152 0.000 1.354 356 G CA -0.119 45.069 45.100 0.147 0.000 0.873 356 G HN 0.865 nan 8.290 nan 0.000 0.562 357 I N 1.025 121.679 120.570 0.140 0.000 2.465 357 I HA 0.696 4.885 4.170 0.031 0.000 0.291 357 I C 0.041 176.244 176.117 0.143 0.000 1.014 357 I CA -0.808 60.497 61.300 0.009 0.000 1.093 357 I CB 1.775 39.769 38.000 -0.010 0.000 1.267 357 I HN 0.801 nan 8.210 nan 0.000 0.431 358 Y N 2.608 122.929 120.300 0.034 0.000 2.725 358 Y HA 0.520 5.088 4.550 0.030 0.000 0.333 358 Y C -0.792 175.150 175.900 0.070 0.000 1.242 358 Y CA -1.451 56.676 58.100 0.045 0.000 1.059 358 Y CB 0.505 38.991 38.460 0.043 0.000 1.306 358 Y HN 0.296 nan 8.280 nan 0.000 0.454 359 E N 1.812 122.170 120.200 0.264 0.000 2.383 359 E HA 0.019 4.387 4.350 0.031 0.000 0.264 359 E C 0.547 177.324 176.600 0.295 0.000 1.050 359 E CA 0.154 56.672 56.400 0.196 0.000 0.896 359 E CB 0.731 30.527 29.700 0.160 0.000 0.982 359 E HN 0.832 nan 8.360 nan 0.000 0.424 360 N N 2.938 121.774 118.700 0.226 0.000 2.192 360 N HA -0.255 4.503 4.740 0.031 0.000 0.188 360 N C 0.800 176.572 175.510 0.436 0.000 1.013 360 N CA 1.471 54.731 53.050 0.351 0.000 0.863 360 N CB -0.521 38.090 38.487 0.207 0.000 0.990 360 N HN 0.503 nan 8.380 nan 0.000 0.430 361 N N 0.415 119.288 118.700 0.288 0.000 2.550 361 N HA -0.109 4.650 4.740 0.031 0.000 0.186 361 N C 0.496 176.254 175.510 0.413 0.000 1.110 361 N CA 0.550 53.772 53.050 0.286 0.000 0.912 361 N CB -0.100 38.482 38.487 0.157 0.000 0.968 361 N HN 0.213 nan 8.380 nan 0.000 0.448 362 E N 0.750 121.203 120.200 0.422 0.000 2.418 362 E HA 0.028 4.396 4.350 0.031 0.000 0.197 362 E C 1.817 178.605 176.600 0.314 0.000 1.026 362 E CA -0.079 56.540 56.400 0.365 0.000 0.862 362 E CB 0.005 29.825 29.700 0.201 0.000 0.799 362 E HN 0.400 nan 8.360 nan 0.000 0.518 363 I N 0.472 121.316 120.570 0.457 0.000 2.226 363 I HA -0.256 3.933 4.170 0.031 0.000 0.245 363 I C 2.231 178.580 176.117 0.388 0.000 1.100 363 I CA 0.972 62.547 61.300 0.459 0.000 1.374 363 I CB -0.991 37.284 38.000 0.458 0.000 1.057 363 I HN 0.074 nan 8.210 nan 0.000 0.413 364 F N 2.073 122.143 119.950 0.200 0.000 2.069 364 F HA -0.283 4.265 4.527 0.035 0.000 0.298 364 F C 2.899 178.665 175.800 -0.057 0.000 1.113 364 F CA 1.959 59.980 58.000 0.036 0.000 1.214 364 F CB -0.534 38.393 39.000 -0.122 0.000 0.978 364 F HN 0.168 nan 8.300 nan 0.000 0.474 365 H N 0.430 119.657 119.070 0.261 0.000 2.387 365 H HA -0.103 4.471 4.556 0.031 0.000 0.299 365 H C 2.147 177.412 175.328 -0.106 0.000 1.090 365 H CA 1.706 57.792 56.048 0.063 0.000 1.332 365 H CB -0.369 29.466 29.762 0.123 0.000 1.386 365 H HN 0.385 nan 8.280 nan 0.000 0.516 366 K N 0.401 120.772 120.400 -0.049 0.000 2.057 366 K HA -0.050 4.289 4.320 0.031 0.000 0.206 366 K C 2.353 178.832 176.600 -0.202 0.000 1.050 366 K CA 0.805 56.905 56.287 -0.312 0.000 0.935 366 K CB 0.058 32.097 32.500 -0.768 0.000 0.715 366 K HN 0.153 nan 8.250 nan 0.000 0.439 367 I N 0.830 121.407 120.570 0.012 0.000 2.163 367 I HA -0.296 3.893 4.170 0.031 0.000 0.243 367 I C 2.028 178.016 176.117 -0.214 0.000 1.085 367 I CA 0.907 62.222 61.300 0.026 0.000 1.347 367 I CB -0.194 37.850 38.000 0.075 0.000 1.044 367 I HN 0.088 nan 8.210 nan 0.000 0.408 368 L N 0.803 121.873 121.223 -0.256 0.000 2.083 368 L HA -0.210 4.148 4.340 0.031 0.000 0.209 368 L C 2.434 179.195 176.870 -0.182 0.000 1.083 368 L CA 1.732 56.428 54.840 -0.239 0.000 0.752 368 L CB -1.023 40.881 42.059 -0.258 0.000 0.899 368 L HN 0.197 nan 8.230 nan 0.000 0.433 369 K N -0.452 119.857 120.400 -0.153 0.000 2.026 369 K HA -0.145 4.193 4.320 0.031 0.000 0.208 369 K C 1.980 178.489 176.600 -0.152 0.000 1.048 369 K CA 1.917 58.126 56.287 -0.129 0.000 0.929 369 K CB 0.012 32.432 32.500 -0.134 0.000 0.713 369 K HN 0.305 nan 8.250 nan 0.000 0.439 370 V N -0.816 118.991 119.914 -0.178 0.000 2.591 370 V HA -0.109 4.030 4.120 0.031 0.000 0.249 370 V C 2.188 178.141 176.094 -0.236 0.000 1.053 370 V CA 1.916 64.120 62.300 -0.161 0.000 1.068 370 V CB -1.009 30.763 31.823 -0.086 0.000 0.689 370 V HN 0.459 nan 8.190 nan 0.000 0.462 371 T N -2.693 111.615 114.554 -0.410 0.000 3.023 371 T HA 0.003 4.371 4.350 0.031 0.000 0.266 371 T C 1.212 175.645 174.700 -0.445 0.000 1.093 371 T CA 0.868 62.555 62.100 -0.688 0.000 1.129 371 T CB -0.544 67.282 68.868 -1.737 0.000 0.899 371 T HN 0.613 nan 8.240 nan 0.000 0.491 372 K N -0.264 119.985 120.400 -0.252 0.000 3.209 372 K HA -0.114 4.224 4.320 0.031 0.000 0.289 372 K C -0.921 175.736 176.600 0.096 0.000 1.191 372 K CA 0.470 56.719 56.287 -0.064 0.000 0.851 372 K CB -1.724 30.761 32.500 -0.024 0.000 1.242 372 K HN 0.478 nan 8.250 nan 0.000 0.480 373 W N 2.226 123.503 121.300 -0.037 0.000 2.381 373 W HA 0.150 4.827 4.660 0.030 0.000 0.321 373 W C 0.796 177.291 176.519 -0.040 0.000 1.407 373 W CA -0.459 56.862 57.345 -0.039 0.000 1.274 373 W CB -0.609 28.816 29.460 -0.059 0.000 1.310 373 W HN 0.124 nan 8.180 nan 0.000 0.551 374 N N 1.973 120.791 118.700 0.196 0.000 2.478 374 N HA 0.415 5.174 4.740 0.031 0.000 0.275 374 N C -0.038 175.528 175.510 0.092 0.000 1.221 374 N CA -0.744 52.373 53.050 0.112 0.000 0.979 374 N CB 1.395 39.933 38.487 0.085 0.000 1.202 374 N HN 0.336 nan 8.380 nan 0.000 0.564 375 Q N 0.000 119.847 119.800 0.079 0.000 2.315 375 Q HA 0.000 4.359 4.340 0.031 0.000 0.214 375 Q CA 0.000 55.846 55.803 0.072 0.000 1.022 375 Q CB 0.000 28.791 28.738 0.089 0.000 1.108 375 Q HN 0.000 nan 8.270 nan 0.000 0.481