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 3pqu_1_B DATA FIRST_RESID 27 DATA SEQUENCE SYQDEETKKK TKEELDKLME PTLGVEAKIP RRNRALFDKE GNRKATPDTT DATA SEQUENCE DELSEAQIMA IWNENIDEIP HLKELNDKTT SGLIYHSHDG KQEDKKRNLQ DATA SEQUENCE YVRSGYVFDE SYSEIVKNKN GVPYIFKNGI DGYIYYLGTS PSKELPKGNK DATA SEQUENCE VTYKGTWDFT SDVKTSYELS GFSDAGNGKN VAATSISDNV NRDHKVGEKL DATA SEQUENCE GDNEVKGVAH SSEFAVDFDN KKLTGSLYRN GYINRNKAQE VTKRYSIEAD DATA SEQUENCE ITGNRFRGKA KAEKAGDPIF TDSNYLEGGF YGPKAEEMAG KFFTNNKSLF DATA SEQUENCE AVFAAKSENG ETTTERIIDA TKIDLTQFNA KELNNFGDAS VLIIDGQKID DATA SEQUENCE LAGVNFKNSK TVEINGKTMV AVACCSNLEY MKFGQLWQKE XXXQVKDNSL DATA SEQUENCE FLQGERTATD KMPAGGNYKY VGTWDALVSK GTNWIAEADN NRESGYRTEF DATA SEQUENCE DVNFSDKKVN GKLFDKGGVN PVFTVDATIN GNGFIGSAKT SDSGFALDXX DATA SEQUENCE XXXXGNAVFS DIKVNGGFYG PTAGELGGQF HHKSDNGSVG AVFGAKRQI 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.749 174.600 0.248 0.000 1.055 27 S CA 0.000 58.262 58.200 0.104 0.000 1.107 27 S CB 0.000 63.219 63.200 0.032 0.000 0.593 28 Y N 3.763 124.075 120.300 0.019 0.000 2.497 28 Y HA 0.396 4.972 4.550 0.042 0.000 0.333 28 Y C 0.021 175.942 175.900 0.035 0.000 1.046 28 Y CA -1.012 57.104 58.100 0.027 0.000 1.160 28 Y CB 0.089 38.563 38.460 0.024 0.000 1.123 28 Y HN 0.347 nan 8.280 nan 0.000 0.638 29 Q N -1.299 118.560 119.800 0.097 0.000 2.286 29 Q HA 0.514 4.874 4.340 0.033 0.000 0.250 29 Q C -0.636 175.371 176.000 0.013 0.000 1.021 29 Q CA -1.139 54.697 55.803 0.055 0.000 0.930 29 Q CB 1.455 30.230 28.738 0.062 0.000 1.266 29 Q HN 0.067 nan 8.270 nan 0.000 0.491 30 D N 1.213 121.632 120.400 0.032 0.000 2.300 30 D HA -0.050 4.610 4.640 0.033 0.000 0.235 30 D C -0.315 175.996 176.300 0.017 0.000 1.338 30 D CA 0.343 54.360 54.000 0.028 0.000 0.903 30 D CB 0.404 41.242 40.800 0.064 0.000 1.180 30 D HN 0.566 nan 8.370 nan 0.000 0.485 31 E N -0.114 120.095 120.200 0.014 0.000 2.202 31 E HA 0.312 4.682 4.350 0.033 0.000 0.272 31 E C -0.750 175.875 176.600 0.042 0.000 0.951 31 E CA -0.900 55.513 56.400 0.021 0.000 0.813 31 E CB 1.171 30.871 29.700 0.000 0.000 1.151 31 E HN 0.058 nan 8.360 nan 0.000 0.398 32 E N 1.883 122.109 120.200 0.044 0.000 2.180 32 E HA 0.150 4.520 4.350 0.033 0.000 0.283 32 E C -0.648 175.984 176.600 0.055 0.000 1.061 32 E CA -0.013 56.417 56.400 0.050 0.000 0.861 32 E CB 1.494 31.221 29.700 0.045 0.000 1.056 32 E HN 0.551 nan 8.360 nan 0.000 0.407 33 T N 2.125 116.719 114.554 0.067 0.000 2.930 33 T HA 0.356 4.726 4.350 0.033 0.000 0.290 33 T C -0.467 174.283 174.700 0.083 0.000 1.052 33 T CA -0.776 61.374 62.100 0.083 0.000 1.017 33 T CB 1.193 70.133 68.868 0.119 0.000 1.137 33 T HN 0.213 nan 8.240 nan 0.000 0.511 34 K N 2.519 122.976 120.400 0.094 0.000 2.258 34 K HA 0.324 4.664 4.320 0.033 0.000 0.284 34 K C -0.010 176.656 176.600 0.110 0.000 1.051 34 K CA -0.460 55.880 56.287 0.088 0.000 0.923 34 K CB 0.604 33.152 32.500 0.081 0.000 1.046 34 K HN 0.483 nan 8.250 nan 0.000 0.474 35 K N 2.347 122.787 120.400 0.067 0.000 2.440 35 K HA -0.054 4.286 4.320 0.033 0.000 0.270 35 K C 0.078 176.700 176.600 0.037 0.000 0.980 35 K CA 0.289 56.594 56.287 0.031 0.000 0.953 35 K CB 0.424 32.928 32.500 0.007 0.000 0.925 35 K HN 0.373 nan 8.250 nan 0.000 0.497 36 K N 1.709 122.075 120.400 -0.057 0.000 2.412 36 K HA 0.002 4.342 4.320 0.033 0.000 0.281 36 K C -0.734 175.862 176.600 -0.007 0.000 1.027 36 K CA -0.038 56.224 56.287 -0.041 0.000 0.989 36 K CB 0.499 32.811 32.500 -0.313 0.000 0.935 36 K HN 0.436 nan 8.250 nan 0.000 0.475 37 T N 5.402 119.983 114.554 0.044 0.000 2.834 37 T HA 0.073 4.442 4.350 0.033 0.000 0.298 37 T C -0.239 174.474 174.700 0.021 0.000 0.966 37 T CA -0.098 62.022 62.100 0.034 0.000 1.141 37 T CB 0.377 69.274 68.868 0.048 0.000 0.905 37 T HN 0.414 nan 8.240 nan 0.000 0.535 38 K N 3.553 123.958 120.400 0.009 0.000 2.258 38 K HA 0.215 4.555 4.320 0.033 0.000 0.284 38 K C 0.235 176.843 176.600 0.013 0.000 1.051 38 K CA -0.375 55.914 56.287 0.003 0.000 0.923 38 K CB 1.229 33.724 32.500 -0.007 0.000 1.046 38 K HN 0.614 nan 8.250 nan 0.000 0.474 39 E N 2.011 122.221 120.200 0.016 0.000 2.283 39 E HA 0.023 4.393 4.350 0.033 0.000 0.278 39 E C -0.824 175.786 176.600 0.017 0.000 1.027 39 E CA -0.238 56.174 56.400 0.021 0.000 0.843 39 E CB 0.984 30.701 29.700 0.027 0.000 1.062 39 E HN 0.311 nan 8.360 nan 0.000 0.401 40 E N 3.643 123.855 120.200 0.020 0.000 2.149 40 E HA 0.234 4.604 4.350 0.033 0.000 0.255 40 E C -1.349 175.268 176.600 0.029 0.000 0.888 40 E CA -0.323 56.089 56.400 0.020 0.000 0.742 40 E CB 0.436 30.147 29.700 0.019 0.000 1.164 40 E HN 0.352 nan 8.360 nan 0.000 0.422 41 L N 3.064 124.304 121.223 0.028 0.000 2.334 41 L HA 0.399 4.759 4.340 0.033 0.000 0.277 41 L C 0.198 177.097 176.870 0.049 0.000 1.075 41 L CA -1.103 53.761 54.840 0.039 0.000 0.804 41 L CB 0.937 43.014 42.059 0.030 0.000 1.174 41 L HN 0.432 nan 8.230 nan 0.000 0.438 42 D N 2.008 122.454 120.400 0.076 0.000 2.478 42 D HA -0.025 4.635 4.640 0.033 0.000 0.234 42 D C 1.010 177.351 176.300 0.069 0.000 1.154 42 D CA 0.235 54.288 54.000 0.089 0.000 0.874 42 D CB 0.913 41.809 40.800 0.161 0.000 1.198 42 D HN 0.424 nan 8.370 nan 0.000 0.455 43 K N 1.249 121.675 120.400 0.045 0.000 2.044 43 K HA -0.164 4.176 4.320 0.033 0.000 0.210 43 K C 1.956 178.577 176.600 0.036 0.000 1.049 43 K CA 0.938 57.240 56.287 0.026 0.000 0.927 43 K CB -0.113 32.392 32.500 0.009 0.000 0.713 43 K HN 0.383 nan 8.250 nan 0.000 0.443 44 L N 0.539 121.796 121.223 0.057 0.000 2.353 44 L HA -0.107 4.253 4.340 0.033 0.000 0.220 44 L C 1.878 178.819 176.870 0.119 0.000 1.133 44 L CA 0.470 55.365 54.840 0.091 0.000 0.798 44 L CB -0.121 42.013 42.059 0.125 0.000 0.922 44 L HN 0.277 nan 8.230 nan 0.000 0.445 45 M N -1.551 118.114 119.600 0.107 0.000 2.428 45 M HA 0.136 4.636 4.480 0.033 0.000 0.239 45 M C 0.437 176.740 176.300 0.005 0.000 1.121 45 M CA 0.273 55.620 55.300 0.078 0.000 1.019 45 M CB -0.250 32.411 32.600 0.102 0.000 1.485 45 M HN -0.020 nan 8.290 nan 0.000 0.484 46 E N 2.974 123.170 120.200 -0.006 0.000 2.392 46 E HA 0.191 4.560 4.350 0.033 0.000 0.264 46 E C -2.122 174.400 176.600 -0.130 0.000 1.024 46 E CA -1.329 55.041 56.400 -0.050 0.000 0.903 46 E CB 0.488 30.172 29.700 -0.027 0.000 0.963 46 E HN 0.149 nan 8.360 nan 0.000 0.432 47 P HA 0.124 nan 4.420 nan 0.000 0.279 47 P C -0.549 176.391 177.300 -0.600 0.000 1.239 47 P CA -0.226 62.531 63.100 -0.572 0.000 0.789 47 P CB 0.979 32.112 31.700 -0.946 0.000 0.933 48 T N -1.169 113.107 114.554 -0.462 0.000 2.841 48 T HA 0.368 4.738 4.350 0.033 0.000 0.296 48 T C 1.188 175.956 174.700 0.113 0.000 1.166 48 T CA -0.865 61.179 62.100 -0.093 0.000 1.007 48 T CB 0.706 69.582 68.868 0.013 0.000 1.253 48 T HN 0.090 nan 8.240 nan 0.000 0.511 49 L N 0.468 121.896 121.223 0.341 0.000 2.093 49 L HA 0.332 4.692 4.340 0.033 0.000 0.208 49 L C 1.484 178.437 176.870 0.140 0.000 1.085 49 L CA 1.601 56.675 54.840 0.389 0.000 0.755 49 L CB -0.638 41.612 42.059 0.319 0.000 0.904 49 L HN 0.999 nan 8.230 nan 0.000 0.435 50 G N -1.828 106.921 108.800 -0.086 0.000 2.687 50 G HA2 0.581 4.561 3.960 0.033 0.000 0.291 50 G HA3 0.581 4.561 3.960 0.033 0.000 0.291 50 G C -1.911 172.683 174.900 -0.510 0.000 1.420 50 G CA -0.337 44.440 45.100 -0.539 0.000 0.796 50 G HN -0.256 nan 8.290 nan 0.000 0.485 51 V N 0.209 119.712 119.914 -0.685 0.000 2.932 51 V HA 0.679 4.819 4.120 0.033 0.000 0.307 51 V C -0.779 175.300 176.094 -0.026 0.000 1.147 51 V CA -0.792 61.358 62.300 -0.250 0.000 0.951 51 V CB 1.842 33.625 31.823 -0.067 0.000 1.031 51 V HN 1.122 nan 8.190 nan 0.000 0.426 52 E N 3.069 123.268 120.200 -0.002 0.000 2.367 52 E HA 0.916 5.286 4.350 0.033 0.000 0.273 52 E C -1.098 175.421 176.600 -0.134 0.000 0.903 52 E CA -1.051 55.400 56.400 0.086 0.000 0.764 52 E CB 2.760 32.493 29.700 0.055 0.000 1.252 52 E HN 0.955 nan 8.360 nan 0.000 0.446 53 A N 1.928 124.673 122.820 -0.124 0.000 2.486 53 A HA 0.503 4.843 4.320 0.033 0.000 0.300 53 A C -1.024 176.514 177.584 -0.076 0.000 1.048 53 A CA -0.909 50.941 52.037 -0.312 0.000 0.696 53 A CB 1.713 20.178 19.000 -0.892 0.000 1.278 53 A HN 0.629 nan 8.150 nan 0.000 0.405 54 K N 1.980 122.282 120.400 -0.163 0.000 2.326 54 K HA 0.416 4.756 4.320 0.033 0.000 0.275 54 K C -0.584 175.862 176.600 -0.257 0.000 1.018 54 K CA -0.215 55.847 56.287 -0.374 0.000 0.962 54 K CB 0.258 32.533 32.500 -0.374 0.000 0.953 54 K HN 0.600 nan 8.250 nan 0.000 0.475 55 I N 7.064 127.466 120.570 -0.280 0.000 2.517 55 I HA 0.065 4.255 4.170 0.033 0.000 0.285 55 I C -1.955 174.070 176.117 -0.153 0.000 1.106 55 I CA -2.016 59.185 61.300 -0.165 0.000 1.402 55 I CB 0.738 38.640 38.000 -0.164 0.000 1.399 55 I HN 0.488 nan 8.210 nan 0.000 0.535 56 P HA 0.234 nan 4.420 nan 0.000 0.271 56 P C -0.981 176.266 177.300 -0.088 0.000 1.216 56 P CA -0.166 62.884 63.100 -0.085 0.000 0.776 56 P CB 0.581 32.256 31.700 -0.042 0.000 0.881 57 R N 1.501 121.948 120.500 -0.089 0.000 2.574 57 R HA 0.410 4.770 4.340 0.033 0.000 0.288 57 R C -0.213 176.030 176.300 -0.095 0.000 1.004 57 R CA -0.865 55.176 56.100 -0.098 0.000 0.895 57 R CB 2.187 32.423 30.300 -0.106 0.000 1.191 57 R HN 0.366 nan 8.270 nan 0.000 0.444 58 R N 1.745 122.183 120.500 -0.103 0.000 2.438 58 R HA 0.107 4.467 4.340 0.033 0.000 0.287 58 R C -0.306 175.926 176.300 -0.115 0.000 1.077 58 R CA -0.371 55.673 56.100 -0.093 0.000 1.034 58 R CB 0.555 30.804 30.300 -0.085 0.000 0.993 58 R HN 0.439 nan 8.270 nan 0.000 0.459 59 N N 2.817 121.471 118.700 -0.077 0.000 2.405 59 N HA 0.018 4.778 4.740 0.033 0.000 0.260 59 N C -0.153 175.332 175.510 -0.042 0.000 1.152 59 N CA 0.213 53.226 53.050 -0.061 0.000 0.948 59 N CB 0.732 39.210 38.487 -0.014 0.000 1.111 59 N HN 0.544 nan 8.380 nan 0.000 0.485 60 R N 1.939 122.406 120.500 -0.055 0.000 2.317 60 R HA 0.279 4.639 4.340 0.033 0.000 0.208 60 R C 0.507 176.898 176.300 0.152 0.000 0.914 60 R CA -0.266 55.846 56.100 0.020 0.000 1.060 60 R CB 0.318 30.585 30.300 -0.055 0.000 1.015 60 R HN 0.499 nan 8.270 nan 0.000 0.498 61 A N 0.796 123.715 122.820 0.164 0.000 2.466 61 A HA 0.082 4.422 4.320 0.033 0.000 0.238 61 A C 0.896 178.527 177.584 0.079 0.000 1.074 61 A CA 0.066 52.208 52.037 0.175 0.000 0.774 61 A CB 0.271 19.379 19.000 0.181 0.000 1.015 61 A HN 0.305 nan 8.150 nan 0.000 0.498 62 L N 0.018 121.262 121.223 0.035 0.000 2.616 62 L HA 0.261 4.621 4.340 0.033 0.000 0.229 62 L C -0.647 175.910 176.870 -0.521 0.000 1.110 62 L CA 0.220 54.906 54.840 -0.257 0.000 0.884 62 L CB -0.192 41.633 42.059 -0.391 0.000 1.115 62 L HN 0.610 nan 8.230 nan 0.000 0.481 63 F N -0.142 119.849 119.950 0.070 0.000 2.577 63 F HA 0.337 4.884 4.527 0.033 0.000 0.318 63 F C 0.104 175.967 175.800 0.105 0.000 1.065 63 F CA -1.564 56.478 58.000 0.070 0.000 0.929 63 F CB 1.228 40.266 39.000 0.064 0.000 1.237 63 F HN -0.115 nan 8.300 nan 0.000 0.468 64 D N 0.256 120.805 120.400 0.249 0.000 2.432 64 D HA 0.176 4.836 4.640 0.033 0.000 0.258 64 D C 0.787 177.120 176.300 0.054 0.000 1.146 64 D CA -0.692 53.401 54.000 0.155 0.000 1.015 64 D CB 0.772 41.615 40.800 0.071 0.000 1.107 64 D HN 0.555 nan 8.370 nan 0.000 0.529 65 K N -0.622 119.668 120.400 -0.183 0.000 2.211 65 K HA -0.172 4.168 4.320 0.033 0.000 0.204 65 K C 1.158 177.556 176.600 -0.336 0.000 1.047 65 K CA 1.175 57.055 56.287 -0.679 0.000 0.935 65 K CB 0.040 32.036 32.500 -0.841 0.000 0.728 65 K HN 0.450 nan 8.250 nan 0.000 0.452 66 E N -1.002 119.106 120.200 -0.153 0.000 2.511 66 E HA -0.013 4.357 4.350 0.033 0.000 0.196 66 E C 0.733 177.306 176.600 -0.045 0.000 1.066 66 E CA 0.459 56.805 56.400 -0.089 0.000 0.871 66 E CB 0.285 29.955 29.700 -0.050 0.000 0.863 66 E HN 0.616 nan 8.360 nan 0.000 0.520 67 G N 1.709 110.501 108.800 -0.013 0.000 2.176 67 G HA2 -0.213 3.766 3.960 0.033 0.000 0.253 67 G HA3 -0.213 3.766 3.960 0.033 0.000 0.253 67 G C 0.055 175.024 174.900 0.113 0.000 0.979 67 G CA -0.197 44.904 45.100 0.001 0.000 0.641 67 G HN 0.157 nan 8.290 nan 0.000 0.530 68 N N 0.335 119.125 118.700 0.149 0.000 2.524 68 N HA 0.341 5.100 4.740 0.033 0.000 0.283 68 N C 0.451 176.142 175.510 0.302 0.000 1.142 68 N CA -0.448 52.716 53.050 0.191 0.000 0.984 68 N CB 0.955 39.494 38.487 0.088 0.000 1.155 68 N HN 0.460 nan 8.380 nan 0.000 0.467 69 R N 1.430 122.083 120.500 0.254 0.000 2.489 69 R HA 0.038 4.398 4.340 0.033 0.000 0.287 69 R C -0.253 175.992 176.300 -0.092 0.000 1.053 69 R CA -0.093 55.974 56.100 -0.057 0.000 1.036 69 R CB 0.481 30.724 30.300 -0.094 0.000 0.966 69 R HN 0.390 nan 8.270 nan 0.000 0.432 70 K N 2.964 123.260 120.400 -0.174 0.000 2.368 70 K HA 0.060 4.400 4.320 0.033 0.000 0.282 70 K C 0.924 177.468 176.600 -0.095 0.000 1.035 70 K CA 0.135 56.365 56.287 -0.094 0.000 0.973 70 K CB 1.214 33.665 32.500 -0.082 0.000 0.957 70 K HN 0.720 nan 8.250 nan 0.000 0.474 71 A N 3.043 125.831 122.820 -0.054 0.000 1.972 71 A HA -0.075 4.265 4.320 0.033 0.000 0.219 71 A C 0.559 178.111 177.584 -0.052 0.000 1.169 71 A CA 1.291 53.300 52.037 -0.047 0.000 0.635 71 A CB 0.069 19.052 19.000 -0.029 0.000 0.810 71 A HN 0.667 nan 8.150 nan 0.000 0.446 72 T N 0.681 115.205 114.554 -0.050 0.000 3.143 72 T HA 0.479 4.849 4.350 0.033 0.000 0.312 72 T C -2.992 171.680 174.700 -0.048 0.000 0.986 72 T CA -0.911 61.160 62.100 -0.047 0.000 1.024 72 T CB 1.830 70.676 68.868 -0.036 0.000 1.030 72 T HN -0.030 nan 8.240 nan 0.000 0.448 73 P HA 0.123 nan 4.420 nan 0.000 0.266 73 P C -0.308 176.973 177.300 -0.032 0.000 1.193 73 P CA -0.241 62.835 63.100 -0.041 0.000 0.770 73 P CB 0.366 32.044 31.700 -0.038 0.000 0.836 74 D N 0.554 120.940 120.400 -0.023 0.000 2.571 74 D HA -0.006 4.654 4.640 0.033 0.000 0.231 74 D C 1.264 177.541 176.300 -0.039 0.000 1.133 74 D CA 0.758 54.742 54.000 -0.027 0.000 0.862 74 D CB 0.124 40.910 40.800 -0.022 0.000 1.179 74 D HN 0.389 nan 8.370 nan 0.000 0.474 75 T N -2.400 112.126 114.554 -0.047 0.000 3.069 75 T HA 0.159 4.529 4.350 0.033 0.000 0.252 75 T C 0.728 175.380 174.700 -0.080 0.000 1.053 75 T CA 0.042 62.105 62.100 -0.062 0.000 0.964 75 T CB 0.014 68.842 68.868 -0.067 0.000 1.005 75 T HN 0.457 nan 8.240 nan 0.000 0.532 76 T N -1.246 113.268 114.554 -0.068 0.000 2.864 76 T HA 0.630 5.000 4.350 0.033 0.000 0.299 76 T C -2.274 172.396 174.700 -0.049 0.000 1.166 76 T CA -0.756 61.300 62.100 -0.073 0.000 1.007 76 T CB 2.446 71.270 68.868 -0.073 0.000 1.219 76 T HN -0.003 nan 8.240 nan 0.000 0.506 77 D N 0.168 120.543 120.400 -0.040 0.000 2.602 77 D HA 0.315 4.974 4.640 0.033 0.000 0.245 77 D C -0.672 175.623 176.300 -0.008 0.000 1.325 77 D CA -0.300 53.683 54.000 -0.028 0.000 0.952 77 D CB 1.534 42.311 40.800 -0.039 0.000 1.317 77 D HN 0.591 nan 8.370 nan 0.000 0.577 78 E N 1.967 122.168 120.200 0.001 0.000 2.319 78 E HA 0.420 4.790 4.350 0.033 0.000 0.268 78 E C -0.141 176.488 176.600 0.048 0.000 1.050 78 E CA -0.754 55.665 56.400 0.031 0.000 0.878 78 E CB 1.737 31.455 29.700 0.030 0.000 1.066 78 E HN 0.398 nan 8.360 nan 0.000 0.406 79 L N 1.700 122.991 121.223 0.114 0.000 2.334 79 L HA 0.349 4.708 4.340 0.033 0.000 0.277 79 L C 0.070 177.069 176.870 0.215 0.000 1.075 79 L CA -0.208 54.719 54.840 0.144 0.000 0.804 79 L CB 1.175 43.421 42.059 0.312 0.000 1.174 79 L HN 0.617 nan 8.230 nan 0.000 0.438 80 S N -0.293 115.444 115.700 0.062 0.000 2.607 80 S HA 0.225 4.715 4.470 0.033 0.000 0.273 80 S C 0.339 174.851 174.600 -0.148 0.000 1.148 80 S CA -0.820 57.438 58.200 0.097 0.000 0.833 80 S CB 1.711 64.939 63.200 0.046 0.000 1.130 80 S HN 0.721 nan 8.310 nan 0.000 0.470 81 E N 0.807 120.984 120.200 -0.039 0.000 2.160 81 E HA -0.156 4.214 4.350 0.033 0.000 0.195 81 E C 1.904 178.407 176.600 -0.162 0.000 0.991 81 E CA 1.371 57.679 56.400 -0.153 0.000 0.810 81 E CB -0.450 29.246 29.700 -0.007 0.000 0.742 81 E HN 0.794 nan 8.360 nan 0.000 0.466 82 A N 0.381 123.142 122.820 -0.099 0.000 2.121 82 A HA -0.164 4.176 4.320 0.033 0.000 0.218 82 A C 1.814 179.324 177.584 -0.124 0.000 1.154 82 A CA 1.104 53.088 52.037 -0.088 0.000 0.679 82 A CB -0.207 18.763 19.000 -0.050 0.000 0.795 82 A HN 0.320 nan 8.150 nan 0.000 0.458 83 Q N -0.809 118.882 119.800 -0.181 0.000 2.360 83 Q HA 0.299 4.658 4.340 0.033 0.000 0.202 83 Q C -0.417 175.397 176.000 -0.311 0.000 0.915 83 Q CA 0.033 55.712 55.803 -0.207 0.000 0.943 83 Q CB 0.333 28.952 28.738 -0.199 0.000 1.064 83 Q HN 0.638 nan 8.270 nan 0.000 0.511 84 I N 2.020 122.367 120.570 -0.373 0.000 2.297 84 I HA 0.211 4.401 4.170 0.033 0.000 0.291 84 I C -0.371 175.600 176.117 -0.243 0.000 1.033 84 I CA -0.070 60.957 61.300 -0.456 0.000 1.253 84 I CB 0.605 38.279 38.000 -0.543 0.000 1.396 84 I HN 0.011 nan 8.210 nan 0.000 0.476 85 M N 5.410 124.892 119.600 -0.196 0.000 2.364 85 M HA 0.555 5.055 4.480 0.033 0.000 0.334 85 M C -0.035 176.222 176.300 -0.072 0.000 1.107 85 M CA -0.652 54.587 55.300 -0.101 0.000 0.988 85 M CB 1.960 34.508 32.600 -0.086 0.000 1.673 85 M HN 0.536 nan 8.290 nan 0.000 0.441 86 A N 4.606 127.423 122.820 -0.006 0.000 2.477 86 A HA 0.645 4.985 4.320 0.033 0.000 0.246 86 A C -0.133 177.467 177.584 0.027 0.000 1.078 86 A CA -0.337 51.725 52.037 0.042 0.000 0.770 86 A CB 0.023 19.104 19.000 0.135 0.000 1.011 86 A HN 0.922 nan 8.150 nan 0.000 0.494 87 I N -1.868 118.680 120.570 -0.036 0.000 2.892 87 I HA 0.829 5.019 4.170 0.033 0.000 0.306 87 I C -0.449 175.668 176.117 -0.001 0.000 1.078 87 I CA -1.077 60.092 61.300 -0.219 0.000 1.032 87 I CB 2.227 40.032 38.000 -0.326 0.000 1.229 87 I HN 0.923 nan 8.210 nan 0.000 0.435 88 W N 1.962 123.212 121.300 -0.083 0.000 1.197 88 W HA 0.418 5.098 4.660 0.034 0.000 0.197 88 W C -0.502 175.983 176.519 -0.057 0.000 0.758 88 W CA -0.628 56.689 57.345 -0.046 0.000 1.092 88 W CB -0.836 28.607 29.460 -0.029 0.000 0.854 88 W HN 0.449 nan 8.180 nan 0.000 0.413 89 N N 2.540 121.139 118.700 -0.168 0.000 2.454 89 N HA -0.051 4.709 4.740 0.033 0.000 0.260 89 N C 0.797 176.300 175.510 -0.010 0.000 1.218 89 N CA 0.937 53.917 53.050 -0.118 0.000 0.904 89 N CB 1.221 39.569 38.487 -0.231 0.000 1.065 89 N HN 0.353 nan 8.380 nan 0.000 0.462 90 E N 1.152 121.368 120.200 0.026 0.000 2.285 90 E HA -0.041 4.328 4.350 0.033 0.000 0.194 90 E C -0.049 176.555 176.600 0.007 0.000 0.997 90 E CA 0.477 56.899 56.400 0.037 0.000 0.845 90 E CB -0.027 29.699 29.700 0.044 0.000 0.782 90 E HN 0.444 nan 8.360 nan 0.000 0.491 91 N N 1.294 119.976 118.700 -0.029 0.000 2.527 91 N HA 0.075 4.835 4.740 0.033 0.000 0.236 91 N C 0.447 175.915 175.510 -0.070 0.000 0.999 91 N CA -0.316 52.708 53.050 -0.043 0.000 0.935 91 N CB 0.458 38.912 38.487 -0.054 0.000 1.132 91 N HN 0.189 nan 8.380 nan 0.000 0.511 92 I N -0.838 119.698 120.570 -0.056 0.000 3.291 92 I HA 0.087 4.277 4.170 0.033 0.000 0.279 92 I C 0.293 176.351 176.117 -0.099 0.000 1.294 92 I CA 0.564 61.818 61.300 -0.077 0.000 1.428 92 I CB 0.130 38.094 38.000 -0.060 0.000 1.070 92 I HN 0.113 nan 8.210 nan 0.000 0.478 93 D N 2.043 122.393 120.400 -0.084 0.000 2.219 93 D HA -0.083 4.577 4.640 0.033 0.000 0.205 93 D C 0.517 176.747 176.300 -0.117 0.000 0.970 93 D CA 0.943 54.893 54.000 -0.084 0.000 0.851 93 D CB -0.084 40.681 40.800 -0.058 0.000 0.943 93 D HN 0.603 nan 8.370 nan 0.000 0.488 94 E N 1.344 121.462 120.200 -0.136 0.000 1.865 94 E HA 0.078 4.448 4.350 0.033 0.000 0.269 94 E C 0.120 176.571 176.600 -0.248 0.000 1.177 94 E CA -0.390 55.902 56.400 -0.180 0.000 0.932 94 E CB 0.757 30.352 29.700 -0.175 0.000 1.066 94 E HN 0.055 nan 8.360 nan 0.000 0.405 95 I N 4.502 124.895 120.570 -0.295 0.000 2.683 95 I HA 0.003 4.193 4.170 0.033 0.000 0.286 95 I C -1.934 173.916 176.117 -0.445 0.000 1.175 95 I CA -2.254 58.806 61.300 -0.400 0.000 1.429 95 I CB -0.502 37.166 38.000 -0.552 0.000 1.371 95 I HN 0.152 nan 8.210 nan 0.000 0.569 96 P HA 0.015 nan 4.420 nan 0.000 0.264 96 P C 0.351 177.370 177.300 -0.469 0.000 1.193 96 P CA 0.537 63.274 63.100 -0.605 0.000 0.763 96 P CB 0.155 31.429 31.700 -0.709 0.000 0.810 97 H N -0.462 118.327 119.070 -0.468 0.000 3.631 97 H HA -0.189 4.386 4.556 0.033 0.000 0.202 97 H C 1.233 176.419 175.328 -0.236 0.000 1.029 97 H CA 0.867 56.684 56.048 -0.385 0.000 1.208 97 H CB -1.413 28.000 29.762 -0.581 0.000 1.124 97 H HN 0.317 nan 8.280 nan 0.000 0.329 98 L N 1.839 122.961 121.223 -0.168 0.000 2.012 98 L HA -0.152 4.208 4.340 0.033 0.000 0.210 98 L C 2.556 179.360 176.870 -0.110 0.000 1.073 98 L CA 2.868 57.629 54.840 -0.132 0.000 0.748 98 L CB -0.377 41.566 42.059 -0.194 0.000 0.891 98 L HN 0.160 nan 8.230 nan 0.000 0.431 99 K N -0.220 120.100 120.400 -0.134 0.000 2.057 99 K HA -0.177 4.163 4.320 0.033 0.000 0.206 99 K C 2.000 178.545 176.600 -0.091 0.000 1.050 99 K CA 1.792 58.013 56.287 -0.110 0.000 0.935 99 K CB -0.274 32.152 32.500 -0.123 0.000 0.715 99 K HN 0.464 nan 8.250 nan 0.000 0.439 100 E N 0.199 120.343 120.200 -0.093 0.000 2.058 100 E HA -0.195 4.175 4.350 0.033 0.000 0.194 100 E C 1.995 178.559 176.600 -0.060 0.000 0.997 100 E CA 1.661 58.026 56.400 -0.059 0.000 0.801 100 E CB -0.159 29.536 29.700 -0.008 0.000 0.746 100 E HN 0.286 nan 8.360 nan 0.000 0.450 101 L N 1.056 122.247 121.223 -0.053 0.000 2.046 101 L HA -0.205 4.155 4.340 0.033 0.000 0.208 101 L C 2.259 179.071 176.870 -0.095 0.000 1.077 101 L CA 0.764 55.551 54.840 -0.088 0.000 0.747 101 L CB -0.486 41.544 42.059 -0.049 0.000 0.896 101 L HN 0.177 nan 8.230 nan 0.000 0.432 102 N N 0.102 118.754 118.700 -0.079 0.000 2.120 102 N HA -0.183 4.577 4.740 0.033 0.000 0.188 102 N C 1.374 176.850 175.510 -0.056 0.000 1.024 102 N CA 1.503 54.510 53.050 -0.071 0.000 0.852 102 N CB -0.225 38.220 38.487 -0.070 0.000 1.003 102 N HN 0.343 nan 8.380 nan 0.000 0.424 103 D N 0.767 121.134 120.400 -0.054 0.000 2.178 103 D HA -0.135 4.525 4.640 0.033 0.000 0.201 103 D C 1.717 178.003 176.300 -0.024 0.000 0.980 103 D CA 1.089 55.066 54.000 -0.038 0.000 0.842 103 D CB -0.028 40.749 40.800 -0.039 0.000 0.948 103 D HN 0.577 nan 8.370 nan 0.000 0.472 104 K N -0.144 120.232 120.400 -0.040 0.000 2.358 104 K HA 0.076 4.416 4.320 0.033 0.000 0.197 104 K C 0.707 177.341 176.600 0.056 0.000 1.025 104 K CA -0.101 56.184 56.287 -0.002 0.000 1.104 104 K CB 0.376 32.841 32.500 -0.058 0.000 0.855 104 K HN -0.204 nan 8.250 nan 0.000 0.531 105 T N 1.601 116.163 114.554 0.012 0.000 2.919 105 T HA 0.034 4.403 4.350 0.033 0.000 0.302 105 T C 0.899 175.654 174.700 0.092 0.000 1.031 105 T CA 0.316 62.454 62.100 0.064 0.000 1.127 105 T CB 1.121 69.986 68.868 -0.006 0.000 0.952 105 T HN 0.431 nan 8.240 nan 0.000 0.540 106 T N 0.068 114.702 114.554 0.134 0.000 3.044 106 T HA 0.138 4.508 4.350 0.033 0.000 0.260 106 T C 1.866 176.599 174.700 0.055 0.000 1.019 106 T CA 0.368 62.514 62.100 0.077 0.000 0.921 106 T CB -0.001 68.908 68.868 0.069 0.000 1.053 106 T HN 0.552 nan 8.240 nan 0.000 0.533 107 S N 1.026 116.763 115.700 0.062 0.000 2.441 107 S HA 0.409 4.899 4.470 0.033 0.000 0.224 107 S C 2.148 176.750 174.600 0.002 0.000 1.043 107 S CA 0.661 58.885 58.200 0.041 0.000 0.948 107 S CB -0.830 62.407 63.200 0.062 0.000 0.810 107 S HN 1.262 nan 8.310 nan 0.000 0.504 108 G N 1.150 109.936 108.800 -0.024 0.000 2.153 108 G HA2 -0.219 3.761 3.960 0.033 0.000 0.252 108 G HA3 -0.219 3.761 3.960 0.033 0.000 0.252 108 G C -0.035 174.783 174.900 -0.136 0.000 0.994 108 G CA 0.546 45.606 45.100 -0.066 0.000 0.698 108 G HN 0.588 nan 8.290 nan 0.000 0.521 109 L N 1.316 122.449 121.223 -0.149 0.000 2.504 109 L HA 0.456 4.816 4.340 0.033 0.000 0.249 109 L C -0.138 176.435 176.870 -0.496 0.000 1.120 109 L CA -0.832 53.835 54.840 -0.288 0.000 0.997 109 L CB 0.538 42.575 42.059 -0.035 0.000 1.349 109 L HN 0.010 nan 8.230 nan 0.000 0.439 110 I N 1.480 121.654 120.570 -0.660 0.000 2.378 110 I HA 0.409 4.599 4.170 0.033 0.000 0.291 110 I C -0.479 175.180 176.117 -0.764 0.000 0.992 110 I CA -0.564 60.401 61.300 -0.559 0.000 1.154 110 I CB 1.244 39.072 38.000 -0.286 0.000 1.315 110 I HN 0.224 nan 8.210 nan 0.000 0.448 111 Y N 4.435 124.464 120.300 -0.451 0.000 2.545 111 Y HA 0.587 5.156 4.550 0.033 0.000 0.348 111 Y C 0.048 175.912 175.900 -0.060 0.000 1.002 111 Y CA -0.845 57.060 58.100 -0.325 0.000 1.039 111 Y CB 1.888 40.078 38.460 -0.449 0.000 1.271 111 Y HN 0.703 nan 8.280 nan 0.000 0.467 112 H N -3.516 115.696 119.070 0.237 0.000 3.008 112 H HA 0.431 5.007 4.556 0.033 0.000 0.354 112 H C 0.110 175.526 175.328 0.147 0.000 1.252 112 H CA -0.654 55.557 56.048 0.271 0.000 1.117 112 H CB 1.141 31.014 29.762 0.185 0.000 1.857 112 H HN 0.375 nan 8.280 nan 0.000 0.547 113 S N -0.794 114.856 115.700 -0.084 0.000 2.507 113 S HA -0.156 4.334 4.470 0.033 0.000 0.235 113 S C 0.565 175.042 174.600 -0.204 0.000 0.988 113 S CA 1.053 59.001 58.200 -0.421 0.000 0.944 113 S CB -0.507 62.188 63.200 -0.843 0.000 0.762 113 S HN 0.789 nan 8.310 nan 0.000 0.526 114 H N 0.997 120.082 119.070 0.026 0.000 2.542 114 H HA 0.138 4.714 4.556 0.033 0.000 0.283 114 H C 0.708 175.960 175.328 -0.126 0.000 1.059 114 H CA 0.601 56.676 56.048 0.045 0.000 1.162 114 H CB 0.233 30.129 29.762 0.223 0.000 1.539 114 H HN 0.631 nan 8.280 nan 0.000 0.543 115 D N -0.133 119.999 120.400 -0.446 0.000 2.363 115 D HA -0.030 4.630 4.640 0.033 0.000 0.220 115 D C 1.769 178.004 176.300 -0.108 0.000 0.994 115 D CA 0.806 54.554 54.000 -0.420 0.000 0.890 115 D CB -0.163 40.294 40.800 -0.572 0.000 0.906 115 D HN 0.317 nan 8.370 nan 0.000 0.530 116 G N 0.553 109.312 108.800 -0.068 0.000 2.166 116 G HA2 -0.404 3.576 3.960 0.033 0.000 0.260 116 G HA3 -0.404 3.576 3.960 0.033 0.000 0.260 116 G C 0.986 175.878 174.900 -0.014 0.000 0.986 116 G CA 0.623 45.709 45.100 -0.023 0.000 0.683 116 G HN 0.489 nan 8.290 nan 0.000 0.527 117 K N -0.877 119.515 120.400 -0.012 0.000 2.400 117 K HA 0.154 4.494 4.320 0.033 0.000 0.194 117 K C 0.914 177.508 176.600 -0.010 0.000 1.033 117 K CA 0.579 56.871 56.287 0.009 0.000 1.021 117 K CB 0.135 32.669 32.500 0.056 0.000 0.808 117 K HN 0.371 nan 8.250 nan 0.000 0.505 118 Q N -0.543 119.244 119.800 -0.023 0.000 2.501 118 Q HA 0.137 4.497 4.340 0.033 0.000 0.288 118 Q C 0.278 176.258 176.000 -0.033 0.000 1.051 118 Q CA -0.447 55.334 55.803 -0.037 0.000 0.788 118 Q CB 1.541 30.250 28.738 -0.049 0.000 1.469 118 Q HN -0.130 nan 8.270 nan 0.000 0.416 119 E N 1.179 121.356 120.200 -0.039 0.000 2.097 119 E HA -0.197 4.173 4.350 0.033 0.000 0.196 119 E C 1.031 177.619 176.600 -0.021 0.000 1.000 119 E CA 1.826 58.210 56.400 -0.027 0.000 0.804 119 E CB 0.067 29.751 29.700 -0.027 0.000 0.740 119 E HN 0.695 nan 8.360 nan 0.000 0.454 120 D N 0.403 120.792 120.400 -0.019 0.000 2.371 120 D HA -0.138 4.522 4.640 0.033 0.000 0.221 120 D C 0.842 177.130 176.300 -0.019 0.000 0.986 120 D CA 0.640 54.638 54.000 -0.004 0.000 0.899 120 D CB -0.153 40.657 40.800 0.016 0.000 0.902 120 D HN 0.149 nan 8.370 nan 0.000 0.530 121 K N -0.057 120.322 120.400 -0.036 0.000 2.414 121 K HA 0.161 4.501 4.320 0.033 0.000 0.204 121 K C -0.032 176.508 176.600 -0.100 0.000 1.026 121 K CA -0.245 55.993 56.287 -0.082 0.000 1.108 121 K CB 0.883 33.354 32.500 -0.047 0.000 0.855 121 K HN -0.015 nan 8.250 nan 0.000 0.517 122 K N 1.990 122.350 120.400 -0.067 0.000 2.266 122 K HA 0.257 4.597 4.320 0.033 0.000 0.274 122 K C -0.527 176.042 176.600 -0.052 0.000 1.090 122 K CA -0.175 56.088 56.287 -0.041 0.000 0.925 122 K CB 0.889 33.383 32.500 -0.011 0.000 1.225 122 K HN -0.068 nan 8.250 nan 0.000 0.458 123 R N 2.532 122.982 120.500 -0.083 0.000 2.467 123 R HA 0.213 4.573 4.340 0.033 0.000 0.299 123 R C -0.770 175.580 176.300 0.082 0.000 1.120 123 R CA -0.694 55.356 56.100 -0.084 0.000 0.940 123 R CB 0.886 30.947 30.300 -0.398 0.000 1.161 123 R HN 0.404 nan 8.270 nan 0.000 0.506 124 N N 4.682 123.438 118.700 0.094 0.000 2.807 124 N HA 0.161 4.921 4.740 0.033 0.000 0.259 124 N C -0.576 175.016 175.510 0.136 0.000 1.149 124 N CA 0.193 53.310 53.050 0.112 0.000 1.042 124 N CB 0.733 39.267 38.487 0.077 0.000 1.367 124 N HN 0.365 nan 8.380 nan 0.000 0.516 125 L N 0.648 121.976 121.223 0.176 0.000 2.334 125 L HA 0.332 4.692 4.340 0.033 0.000 0.273 125 L C 1.527 178.431 176.870 0.057 0.000 1.013 125 L CA -0.483 54.453 54.840 0.159 0.000 0.816 125 L CB 2.465 44.657 42.059 0.222 0.000 1.278 125 L HN 0.279 nan 8.230 nan 0.000 0.431 126 Q N 0.751 120.543 119.800 -0.013 0.000 2.394 126 Q HA 0.026 4.386 4.340 0.033 0.000 0.218 126 Q C 0.525 176.287 176.000 -0.395 0.000 0.907 126 Q CA 0.828 56.468 55.803 -0.272 0.000 0.919 126 Q CB 0.435 28.882 28.738 -0.484 0.000 1.051 126 Q HN 0.717 nan 8.270 nan 0.000 0.538 127 Y N -1.098 119.258 120.300 0.093 0.000 2.445 127 Y HA 0.346 4.917 4.550 0.036 0.000 0.247 127 Y C -0.143 175.760 175.900 0.004 0.000 1.129 127 Y CA -0.304 57.846 58.100 0.083 0.000 1.251 127 Y CB 1.519 40.080 38.460 0.168 0.000 1.176 127 Y HN -0.171 nan 8.280 nan 0.000 0.522 128 V N 1.374 121.356 119.914 0.113 0.000 2.823 128 V HA 0.577 4.717 4.120 0.033 0.000 0.312 128 V C -0.579 175.483 176.094 -0.053 0.000 1.072 128 V CA -1.111 61.190 62.300 0.002 0.000 0.937 128 V CB 2.342 34.200 31.823 0.058 0.000 1.013 128 V HN -0.040 nan 8.190 nan 0.000 0.430 129 R N 2.209 122.647 120.500 -0.102 0.000 2.686 129 R HA 0.850 5.210 4.340 0.033 0.000 0.286 129 R C -0.630 175.581 176.300 -0.148 0.000 0.969 129 R CA -0.404 55.561 56.100 -0.225 0.000 0.898 129 R CB 2.061 32.255 30.300 -0.176 0.000 1.183 129 R HN 0.987 nan 8.270 nan 0.000 0.456 130 S N -0.566 115.076 115.700 -0.096 0.000 2.615 130 S HA 0.834 5.324 4.470 0.033 0.000 0.269 130 S C 0.175 174.552 174.600 -0.371 0.000 1.161 130 S CA 0.221 58.129 58.200 -0.488 0.000 0.817 130 S CB 2.255 65.358 63.200 -0.162 0.000 1.131 130 S HN 0.868 nan 8.310 nan 0.000 0.467 131 G N 0.557 109.081 108.800 -0.460 0.000 2.344 131 G HA2 0.187 4.167 3.960 0.033 0.000 0.215 131 G HA3 0.187 4.167 3.960 0.033 0.000 0.215 131 G C -1.035 173.897 174.900 0.054 0.000 1.293 131 G CA 0.495 45.466 45.100 -0.214 0.000 1.305 131 G HN 2.166 nan 8.290 nan 0.000 0.484 132 Y N -1.757 118.745 120.300 0.336 0.000 2.609 132 Y HA 0.828 5.398 4.550 0.034 0.000 0.336 132 Y C -0.829 175.409 175.900 0.563 0.000 1.129 132 Y CA -1.059 57.306 58.100 0.443 0.000 1.040 132 Y CB 1.600 40.213 38.460 0.256 0.000 1.310 132 Y HN 1.325 nan 8.280 nan 0.000 0.460 133 V N 4.049 124.406 119.914 0.738 0.000 2.777 133 V HA 0.868 5.008 4.120 0.033 0.000 0.306 133 V C -1.938 174.501 176.094 0.575 0.000 1.112 133 V CA -0.888 61.751 62.300 0.564 0.000 0.917 133 V CB 1.446 33.418 31.823 0.249 0.000 1.018 133 V HN 1.167 nan 8.190 nan 0.000 0.426 134 F N 3.385 123.506 119.950 0.285 0.000 2.741 134 F HA 0.713 5.259 4.527 0.033 0.000 0.311 134 F C -1.577 174.301 175.800 0.130 0.000 1.149 134 F CA -0.845 57.257 58.000 0.170 0.000 0.930 134 F CB 1.487 40.564 39.000 0.129 0.000 1.312 134 F HN 0.493 nan 8.300 nan 0.000 0.450 135 D N 1.832 122.325 120.400 0.154 0.000 2.233 135 D HA 0.149 4.809 4.640 0.033 0.000 0.240 135 D C 0.647 177.145 176.300 0.331 0.000 1.074 135 D CA -0.039 54.001 54.000 0.066 0.000 0.838 135 D CB 1.855 42.679 40.800 0.039 0.000 1.124 135 D HN 0.915 nan 8.370 nan 0.000 0.475 136 E N 2.232 122.610 120.200 0.296 0.000 2.160 136 E HA -0.152 4.218 4.350 0.033 0.000 0.195 136 E C -0.282 176.477 176.600 0.265 0.000 0.991 136 E CA 0.564 57.235 56.400 0.452 0.000 0.810 136 E CB 0.259 30.197 29.700 0.397 0.000 0.742 136 E HN 0.192 nan 8.360 nan 0.000 0.466 137 S N -0.832 114.990 115.700 0.204 0.000 2.609 137 S HA 0.268 4.758 4.470 0.033 0.000 0.250 137 S C -1.977 172.733 174.600 0.184 0.000 1.112 137 S CA -0.753 57.539 58.200 0.154 0.000 1.102 137 S CB 0.515 63.780 63.200 0.109 0.000 1.124 137 S HN 0.318 nan 8.310 nan 0.000 0.460 138 Y N 3.321 123.643 120.300 0.036 0.000 2.373 138 Y HA 0.676 5.246 4.550 0.034 0.000 0.336 138 Y C -0.601 175.308 175.900 0.016 0.000 0.979 138 Y CA -0.502 57.613 58.100 0.025 0.000 1.080 138 Y CB 1.971 40.443 38.460 0.020 0.000 1.190 138 Y HN 0.477 nan 8.280 nan 0.000 0.446 139 S N 5.409 120.686 115.700 -0.705 0.000 2.433 139 S HA 0.327 4.817 4.470 0.033 0.000 0.310 139 S C -1.032 173.180 174.600 -0.647 0.000 1.097 139 S CA -0.591 57.346 58.200 -0.438 0.000 1.103 139 S CB 0.469 63.573 63.200 -0.160 0.000 0.992 139 S HN 0.796 nan 8.310 nan 0.000 0.469 140 E N 5.364 125.371 120.200 -0.322 0.000 2.129 140 E HA 0.458 4.828 4.350 0.033 0.000 0.268 140 E C -1.193 175.409 176.600 0.004 0.000 0.900 140 E CA -0.499 55.804 56.400 -0.162 0.000 0.755 140 E CB 0.745 30.432 29.700 -0.022 0.000 1.117 140 E HN 0.674 nan 8.360 nan 0.000 0.410 141 I N 4.973 125.535 120.570 -0.015 0.000 2.410 141 I HA 0.280 4.470 4.170 0.033 0.000 0.286 141 I C -0.844 175.227 176.117 -0.076 0.000 1.009 141 I CA -0.986 60.313 61.300 -0.001 0.000 1.111 141 I CB 1.895 39.870 38.000 -0.041 0.000 1.262 141 I HN 0.280 nan 8.210 nan 0.000 0.443 142 V N 6.601 126.419 119.914 -0.160 0.000 2.459 142 V HA 0.443 4.583 4.120 0.033 0.000 0.295 142 V C -0.083 175.853 176.094 -0.263 0.000 1.029 142 V CA -0.772 61.382 62.300 -0.245 0.000 0.874 142 V CB 1.813 33.387 31.823 -0.416 0.000 0.985 142 V HN 0.636 nan 8.190 nan 0.000 0.438 143 K N 3.011 123.386 120.400 -0.043 0.000 2.208 143 K HA 0.517 4.857 4.320 0.033 0.000 0.247 143 K C -0.218 176.558 176.600 0.293 0.000 0.953 143 K CA -0.824 55.529 56.287 0.111 0.000 0.837 143 K CB 1.562 34.087 32.500 0.041 0.000 1.131 143 K HN 0.824 nan 8.250 nan 0.000 0.431 144 N N 0.836 119.720 118.700 0.306 0.000 2.431 144 N HA 0.021 4.781 4.740 0.033 0.000 0.289 144 N C 0.683 176.230 175.510 0.063 0.000 1.277 144 N CA -0.273 52.876 53.050 0.166 0.000 0.972 144 N CB 0.238 38.706 38.487 -0.032 0.000 1.143 144 N HN 0.583 nan 8.380 nan 0.000 0.578 145 K N -1.046 119.362 120.400 0.013 0.000 2.044 145 K HA -0.233 4.107 4.320 0.033 0.000 0.210 145 K C 1.211 177.806 176.600 -0.009 0.000 1.049 145 K CA 1.582 57.870 56.287 0.001 0.000 0.927 145 K CB -0.480 32.011 32.500 -0.014 0.000 0.713 145 K HN 0.529 nan 8.250 nan 0.000 0.443 146 N N 1.127 119.813 118.700 -0.023 0.000 2.609 146 N HA -0.080 4.680 4.740 0.033 0.000 0.190 146 N C 0.455 175.942 175.510 -0.038 0.000 1.157 146 N CA 1.136 54.164 53.050 -0.037 0.000 0.918 146 N CB -0.068 38.386 38.487 -0.056 0.000 0.978 146 N HN 0.585 nan 8.380 nan 0.000 0.448 147 G N 0.637 109.429 108.800 -0.014 0.000 2.198 147 G HA2 -0.239 3.741 3.960 0.033 0.000 0.257 147 G HA3 -0.239 3.741 3.960 0.033 0.000 0.257 147 G C -0.044 174.837 174.900 -0.032 0.000 1.042 147 G CA 0.594 45.686 45.100 -0.013 0.000 0.791 147 G HN 0.449 nan 8.290 nan 0.000 0.502 148 V N -0.535 119.365 119.914 -0.024 0.000 2.472 148 V HA 0.834 4.974 4.120 0.033 0.000 0.290 148 V C -2.260 173.881 176.094 0.077 0.000 1.037 148 V CA -2.437 59.824 62.300 -0.066 0.000 0.908 148 V CB 1.883 33.586 31.823 -0.201 0.000 0.985 148 V HN 0.064 nan 8.190 nan 0.000 0.454 149 P HA 0.289 nan 4.420 nan 0.000 0.280 149 P C -0.897 176.530 177.300 0.212 0.000 1.300 149 P CA 0.143 63.295 63.100 0.086 0.000 0.785 149 P CB -0.035 31.677 31.700 0.021 0.000 0.874 150 Y N 2.401 122.759 120.300 0.096 0.000 2.500 150 Y HA 0.578 5.148 4.550 0.033 0.000 0.246 150 Y C -0.053 175.908 175.900 0.102 0.000 1.146 150 Y CA -0.538 57.633 58.100 0.118 0.000 1.230 150 Y CB 0.283 38.799 38.460 0.092 0.000 1.214 150 Y HN 0.030 nan 8.280 nan 0.000 0.526 151 I N 1.644 122.035 120.570 -0.300 0.000 2.534 151 I HA 0.309 4.498 4.170 0.033 0.000 0.288 151 I C -1.860 174.273 176.117 0.026 0.000 1.077 151 I CA -0.879 60.325 61.300 -0.161 0.000 1.051 151 I CB 2.419 40.237 38.000 -0.302 0.000 1.234 151 I HN 0.040 nan 8.210 nan 0.000 0.425 152 F N 7.345 127.237 119.950 -0.096 0.000 2.745 152 F HA 0.526 5.073 4.527 0.033 0.000 0.343 152 F C -1.282 174.479 175.800 -0.066 0.000 1.196 152 F CA -0.766 57.187 58.000 -0.079 0.000 1.021 152 F CB 0.991 39.962 39.000 -0.049 0.000 1.297 152 F HN 0.288 nan 8.300 nan 0.000 0.486 153 K N 3.925 124.125 120.400 -0.333 0.000 2.385 153 K HA 0.619 4.959 4.320 0.033 0.000 0.248 153 K C -1.282 175.052 176.600 -0.442 0.000 0.955 153 K CA -1.227 54.801 56.287 -0.431 0.000 0.816 153 K CB 2.455 34.842 32.500 -0.189 0.000 1.250 153 K HN 0.527 nan 8.250 nan 0.000 0.434 154 N N -0.273 118.191 118.700 -0.393 0.000 2.823 154 N HA 0.588 5.348 4.740 0.033 0.000 0.251 154 N C -0.766 174.670 175.510 -0.125 0.000 1.392 154 N CA 0.747 53.656 53.050 -0.236 0.000 0.864 154 N CB 2.046 40.383 38.487 -0.251 0.000 1.481 154 N HN 0.734 nan 8.380 nan 0.000 0.508 155 G N 0.592 109.371 108.800 -0.036 0.000 2.482 155 G HA2 -0.159 3.821 3.960 0.033 0.000 0.214 155 G HA3 -0.159 3.821 3.960 0.033 0.000 0.214 155 G C -0.692 174.240 174.900 0.054 0.000 1.271 155 G CA -0.363 44.738 45.100 0.002 0.000 0.944 155 G HN 0.669 nan 8.290 nan 0.000 0.568 156 I N 1.630 122.217 120.570 0.029 0.000 2.752 156 I HA 0.223 4.413 4.170 0.033 0.000 0.289 156 I C 0.008 176.154 176.117 0.048 0.000 1.197 156 I CA 0.818 62.153 61.300 0.058 0.000 1.432 156 I CB 0.520 38.459 38.000 -0.102 0.000 1.359 156 I HN 0.557 nan 8.210 nan 0.000 0.571 157 D N 4.755 125.227 120.400 0.120 0.000 2.696 157 D HA 0.721 5.381 4.640 0.033 0.000 0.251 157 D C -0.239 176.063 176.300 0.003 0.000 1.188 157 D CA -0.040 53.972 54.000 0.020 0.000 0.876 157 D CB 1.538 42.370 40.800 0.054 0.000 1.334 157 D HN 0.701 nan 8.370 nan 0.000 0.540 158 G N 1.567 110.257 108.800 -0.183 0.000 2.356 158 G HA2 0.350 4.330 3.960 0.033 0.000 0.281 158 G HA3 0.350 4.330 3.960 0.033 0.000 0.281 158 G C -1.933 172.672 174.900 -0.492 0.000 1.246 158 G CA -0.704 44.312 45.100 -0.139 0.000 0.889 158 G HN 0.310 nan 8.290 nan 0.000 0.486 159 Y N -0.773 119.576 120.300 0.081 0.000 2.534 159 Y HA 0.675 5.245 4.550 0.033 0.000 0.345 159 Y C -0.162 175.889 175.900 0.252 0.000 1.031 159 Y CA -1.164 56.981 58.100 0.075 0.000 1.022 159 Y CB 2.263 40.709 38.460 -0.025 0.000 1.292 159 Y HN 0.337 nan 8.280 nan 0.000 0.459 160 I N 3.277 124.099 120.570 0.420 0.000 2.392 160 I HA 0.370 4.559 4.170 0.033 0.000 0.295 160 I C -0.547 175.930 176.117 0.600 0.000 0.985 160 I CA -1.111 60.478 61.300 0.482 0.000 1.221 160 I CB 0.713 38.979 38.000 0.444 0.000 1.366 160 I HN 0.765 nan 8.210 nan 0.000 0.467 161 Y N 5.749 126.222 120.300 0.288 0.000 2.689 161 Y HA 0.690 5.260 4.550 0.033 0.000 0.333 161 Y C -1.714 174.302 175.900 0.192 0.000 1.208 161 Y CA -1.492 56.736 58.100 0.213 0.000 1.055 161 Y CB 1.524 40.037 38.460 0.088 0.000 1.304 161 Y HN 0.511 nan 8.280 nan 0.000 0.455 162 Y N 1.788 122.029 120.300 -0.099 0.000 2.553 162 Y HA 0.880 5.449 4.550 0.032 0.000 0.347 162 Y C -2.390 173.511 175.900 0.001 0.000 1.019 162 Y CA -1.763 56.172 58.100 -0.274 0.000 1.032 162 Y CB 2.197 40.503 38.460 -0.256 0.000 1.284 162 Y HN 0.901 nan 8.280 nan 0.000 0.466 163 L N 2.632 123.873 121.223 0.030 0.000 2.505 163 L HA 0.922 5.282 4.340 0.033 0.000 0.266 163 L C -0.776 176.002 176.870 -0.154 0.000 0.954 163 L CA -0.223 54.581 54.840 -0.060 0.000 0.852 163 L CB 2.157 44.242 42.059 0.043 0.000 1.282 163 L HN 1.099 nan 8.230 nan 0.000 0.403 164 G N 1.103 109.674 108.800 -0.382 0.000 2.537 164 G HA2 0.668 4.648 3.960 0.033 0.000 0.308 164 G HA3 0.668 4.648 3.960 0.033 0.000 0.308 164 G C -1.427 173.317 174.900 -0.261 0.000 1.237 164 G CA -0.436 44.163 45.100 -0.836 0.000 0.968 164 G HN 0.630 nan 8.290 nan 0.000 0.481 165 T N -1.629 112.932 114.554 0.012 0.000 2.916 165 T HA 0.516 4.886 4.350 0.033 0.000 0.292 165 T C 0.339 175.263 174.700 0.373 0.000 1.055 165 T CA 0.792 63.028 62.100 0.228 0.000 1.009 165 T CB 1.306 70.278 68.868 0.175 0.000 1.118 165 T HN 2.000 nan 8.240 nan 0.000 0.497 166 S N 3.515 119.374 115.700 0.266 0.000 3.625 166 S HA -0.067 4.423 4.470 0.033 0.000 0.426 166 S C -2.735 171.961 174.600 0.161 0.000 0.884 166 S CA -0.308 57.990 58.200 0.163 0.000 1.322 166 S CB -1.048 62.210 63.200 0.097 0.000 0.905 166 S HN 0.581 nan 8.310 nan 0.000 0.586 167 P HA 0.171 nan 4.420 nan 0.000 0.264 167 P C -0.086 177.207 177.300 -0.013 0.000 1.193 167 P CA 0.173 63.281 63.100 0.013 0.000 0.763 167 P CB 0.578 32.294 31.700 0.027 0.000 0.810 168 S N 3.324 119.017 115.700 -0.012 0.000 2.549 168 S HA 0.039 4.529 4.470 0.033 0.000 0.286 168 S C 1.173 175.771 174.600 -0.004 0.000 1.314 168 S CA -0.127 58.072 58.200 -0.002 0.000 1.062 168 S CB 0.423 63.647 63.200 0.040 0.000 0.865 168 S HN 0.401 nan 8.310 nan 0.000 0.498 169 K N 1.117 121.503 120.400 -0.024 0.000 2.353 169 K HA 0.161 4.501 4.320 0.033 0.000 0.195 169 K C -0.012 176.571 176.600 -0.027 0.000 1.031 169 K CA 0.418 56.694 56.287 -0.017 0.000 1.079 169 K CB 0.444 32.934 32.500 -0.018 0.000 0.857 169 K HN 0.618 nan 8.250 nan 0.000 0.535 170 E N 1.162 121.328 120.200 -0.056 0.000 2.293 170 E HA 0.392 4.762 4.350 0.033 0.000 0.270 170 E C -1.046 175.454 176.600 -0.166 0.000 0.879 170 E CA -0.540 55.807 56.400 -0.089 0.000 0.756 170 E CB 2.563 32.215 29.700 -0.080 0.000 1.208 170 E HN -0.045 nan 8.360 nan 0.000 0.428 171 L N 2.484 123.565 121.223 -0.237 0.000 2.342 171 L HA 0.515 4.875 4.340 0.033 0.000 0.271 171 L C -2.442 174.093 176.870 -0.559 0.000 1.008 171 L CA -2.422 52.123 54.840 -0.492 0.000 0.818 171 L CB 1.770 43.542 42.059 -0.479 0.000 1.296 171 L HN 0.198 nan 8.230 nan 0.000 0.427 172 P HA 0.095 nan 4.420 nan 0.000 0.272 172 P C -1.119 175.935 177.300 -0.411 0.000 1.223 172 P CA -0.343 62.421 63.100 -0.559 0.000 0.784 172 P CB 0.470 31.845 31.700 -0.542 0.000 0.923 173 K N 1.479 121.780 120.400 -0.165 0.000 2.118 173 K HA 0.711 5.051 4.320 0.033 0.000 0.267 173 K C 0.546 177.166 176.600 0.034 0.000 0.991 173 K CA -0.159 56.101 56.287 -0.045 0.000 0.916 173 K CB 0.968 33.448 32.500 -0.034 0.000 1.041 173 K HN 0.866 nan 8.250 nan 0.000 0.455 174 G N 1.169 110.022 108.800 0.088 0.000 2.340 174 G HA2 -0.132 3.848 3.960 0.033 0.000 0.527 174 G HA3 -0.132 3.848 3.960 0.033 0.000 0.527 174 G C -0.307 174.668 174.900 0.125 0.000 1.381 174 G CA -0.860 44.300 45.100 0.099 0.000 1.001 174 G HN 0.586 nan 8.290 nan 0.000 0.626 175 N N -0.437 118.312 118.700 0.081 0.000 2.325 175 N HA 0.171 4.931 4.740 0.033 0.000 0.182 175 N C 0.370 175.909 175.510 0.048 0.000 1.088 175 N CA 0.612 53.695 53.050 0.056 0.000 0.879 175 N CB 0.409 38.916 38.487 0.033 0.000 0.983 175 N HN 0.467 nan 8.380 nan 0.000 0.471 176 K N 1.169 121.613 120.400 0.073 0.000 2.729 176 K HA 0.244 4.584 4.320 0.033 0.000 0.269 176 K C -2.023 174.639 176.600 0.103 0.000 1.065 176 K CA -0.240 56.086 56.287 0.066 0.000 1.000 176 K CB 1.169 33.694 32.500 0.042 0.000 1.283 176 K HN -0.242 nan 8.250 nan 0.000 0.491 177 V N 2.953 122.958 119.914 0.153 0.000 2.448 177 V HA 0.379 4.519 4.120 0.033 0.000 0.295 177 V C -0.088 176.117 176.094 0.185 0.000 1.025 177 V CA -0.643 61.765 62.300 0.181 0.000 0.859 177 V CB 1.804 33.845 31.823 0.363 0.000 0.988 177 V HN 0.723 nan 8.190 nan 0.000 0.431 178 T N 4.957 119.563 114.554 0.086 0.000 2.806 178 T HA 0.597 4.966 4.350 0.033 0.000 0.290 178 T C -0.872 173.872 174.700 0.073 0.000 0.966 178 T CA 0.059 62.241 62.100 0.136 0.000 1.060 178 T CB 0.385 69.303 68.868 0.084 0.000 0.927 178 T HN 0.464 nan 8.240 nan 0.000 0.485 179 Y N 1.637 122.067 120.300 0.215 0.000 2.446 179 Y HA 0.537 5.106 4.550 0.032 0.000 0.345 179 Y C 0.549 176.616 175.900 0.278 0.000 0.984 179 Y CA -1.073 57.183 58.100 0.260 0.000 1.058 179 Y CB 1.792 40.433 38.460 0.301 0.000 1.220 179 Y HN 0.355 nan 8.280 nan 0.000 0.455 180 K N 1.532 122.149 120.400 0.363 0.000 2.375 180 K HA 0.831 5.171 4.320 0.033 0.000 0.249 180 K C -0.324 176.461 176.600 0.309 0.000 0.942 180 K CA -0.813 55.648 56.287 0.290 0.000 0.806 180 K CB 2.636 35.241 32.500 0.175 0.000 1.227 180 K HN 0.876 nan 8.250 nan 0.000 0.430 181 G N 0.281 109.266 108.800 0.307 0.000 2.565 181 G HA2 0.275 4.255 3.960 0.033 0.000 0.142 181 G HA3 0.275 4.255 3.960 0.033 0.000 0.142 181 G C -1.037 174.054 174.900 0.318 0.000 1.181 181 G CA -0.270 45.011 45.100 0.302 0.000 1.066 181 G HN 0.601 nan 8.290 nan 0.000 0.530 182 T N -1.909 112.860 114.554 0.358 0.000 2.858 182 T HA 0.803 5.173 4.350 0.033 0.000 0.285 182 T C -0.904 174.146 174.700 0.583 0.000 1.052 182 T CA -0.304 62.032 62.100 0.394 0.000 1.009 182 T CB 2.426 71.432 68.868 0.230 0.000 1.241 182 T HN 1.612 nan 8.240 nan 0.000 0.542 183 W N -0.417 121.066 121.300 0.305 0.000 3.047 183 W HA 0.794 5.474 4.660 0.033 0.000 0.341 183 W C -1.917 174.755 176.519 0.256 0.000 1.225 183 W CA -0.914 56.620 57.345 0.316 0.000 1.150 183 W CB 0.606 30.286 29.460 0.367 0.000 1.470 183 W HN 0.707 nan 8.180 nan 0.000 0.578 184 D N 0.533 121.049 120.400 0.193 0.000 2.599 184 D HA 0.639 5.299 4.640 0.033 0.000 0.252 184 D C -1.482 174.881 176.300 0.105 0.000 1.232 184 D CA -0.090 53.866 54.000 -0.074 0.000 0.819 184 D CB 3.064 43.884 40.800 0.033 0.000 1.401 184 D HN 0.339 nan 8.370 nan 0.000 0.429 185 F N -1.748 118.153 119.950 -0.082 0.000 2.741 185 F HA 0.603 5.149 4.527 0.033 0.000 0.311 185 F C -1.260 174.554 175.800 0.023 0.000 1.149 185 F CA -0.749 57.247 58.000 -0.006 0.000 0.930 185 F CB 1.835 40.896 39.000 0.101 0.000 1.312 185 F HN 0.119 nan 8.300 nan 0.000 0.450 186 T N 1.117 115.851 114.554 0.299 0.000 2.893 186 T HA 0.632 5.002 4.350 0.033 0.000 0.293 186 T C -0.512 174.331 174.700 0.238 0.000 1.027 186 T CA 0.016 62.232 62.100 0.194 0.000 0.988 186 T CB 1.229 70.158 68.868 0.102 0.000 1.043 186 T HN 1.234 nan 8.240 nan 0.000 0.461 187 S N 3.456 119.224 115.700 0.114 0.000 2.652 187 S HA 0.567 5.057 4.470 0.033 0.000 0.267 187 S C 0.092 174.734 174.600 0.069 0.000 1.201 187 S CA -0.573 57.640 58.200 0.020 0.000 0.996 187 S CB 0.541 63.633 63.200 -0.178 0.000 1.054 187 S HN 0.865 nan 8.310 nan 0.000 0.561 188 D N -0.583 119.883 120.400 0.110 0.000 2.511 188 D HA 0.452 5.112 4.640 0.033 0.000 0.276 188 D C -0.573 175.822 176.300 0.158 0.000 1.220 188 D CA -0.754 53.321 54.000 0.125 0.000 1.077 188 D CB 0.166 41.051 40.800 0.141 0.000 1.126 188 D HN 0.364 nan 8.370 nan 0.000 0.583 189 V N -0.600 119.372 119.914 0.097 0.000 2.495 189 V HA 0.457 4.597 4.120 0.033 0.000 0.298 189 V C -0.303 175.761 176.094 -0.051 0.000 1.031 189 V CA -0.668 61.673 62.300 0.069 0.000 0.871 189 V CB 1.388 33.209 31.823 -0.003 0.000 0.988 189 V HN 0.472 nan 8.190 nan 0.000 0.432 190 K N 1.755 122.059 120.400 -0.159 0.000 2.553 190 K HA 0.300 4.640 4.320 0.033 0.000 0.250 190 K C 0.766 177.229 176.600 -0.229 0.000 0.953 190 K CA -0.295 55.770 56.287 -0.370 0.000 0.800 190 K CB 2.126 34.091 32.500 -0.891 0.000 1.243 190 K HN 0.797 nan 8.250 nan 0.000 0.435 191 T N -2.359 112.110 114.554 -0.141 0.000 2.929 191 T HA -0.177 4.193 4.350 0.033 0.000 0.271 191 T C 1.665 176.325 174.700 -0.067 0.000 1.085 191 T CA 1.710 63.765 62.100 -0.074 0.000 1.125 191 T CB -0.216 68.617 68.868 -0.058 0.000 0.874 191 T HN 0.507 nan 8.240 nan 0.000 0.494 192 S N -0.421 115.200 115.700 -0.132 0.000 2.515 192 S HA 0.053 4.543 4.470 0.033 0.000 0.231 192 S C 0.316 174.912 174.600 -0.006 0.000 0.987 192 S CA -0.515 57.633 58.200 -0.087 0.000 0.936 192 S CB -0.862 62.266 63.200 -0.119 0.000 0.766 192 S HN 0.460 nan 8.310 nan 0.000 0.528 193 Y N 2.908 123.197 120.300 -0.019 0.000 2.620 193 Y HA 0.263 4.833 4.550 0.033 0.000 0.330 193 Y C 0.737 176.636 175.900 -0.000 0.000 1.186 193 Y CA -0.806 57.284 58.100 -0.017 0.000 1.467 193 Y CB 0.169 38.604 38.460 -0.042 0.000 1.262 193 Y HN 0.265 nan 8.280 nan 0.000 0.550 194 E N 5.280 125.601 120.200 0.201 0.000 3.037 194 E HA 0.254 4.624 4.350 0.033 0.000 0.220 194 E C -0.830 175.837 176.600 0.112 0.000 1.142 194 E CA -0.222 56.252 56.400 0.124 0.000 0.888 194 E CB 0.458 30.214 29.700 0.094 0.000 1.329 194 E HN 0.571 nan 8.360 nan 0.000 0.409 195 L N 0.987 122.275 121.223 0.109 0.000 2.379 195 L HA 0.438 4.798 4.340 0.033 0.000 0.269 195 L C 0.812 177.811 176.870 0.215 0.000 1.084 195 L CA -0.679 54.251 54.840 0.149 0.000 0.802 195 L CB 0.976 43.105 42.059 0.118 0.000 1.175 195 L HN 0.188 nan 8.230 nan 0.000 0.448 196 S N -0.783 115.055 115.700 0.231 0.000 2.578 196 S HA 0.749 5.239 4.470 0.033 0.000 0.301 196 S C 0.588 175.260 174.600 0.121 0.000 1.091 196 S CA -0.048 58.252 58.200 0.167 0.000 1.032 196 S CB 1.776 65.037 63.200 0.101 0.000 1.064 196 S HN 1.073 nan 8.310 nan 0.000 0.508 197 G N 0.036 108.851 108.800 0.024 0.000 2.175 197 G HA2 -0.184 3.796 3.960 0.033 0.000 0.244 197 G HA3 -0.184 3.796 3.960 0.033 0.000 0.244 197 G C -0.354 174.345 174.900 -0.335 0.000 0.982 197 G CA -0.172 44.836 45.100 -0.154 0.000 0.641 197 G HN 0.631 nan 8.290 nan 0.000 0.527 198 F N 1.814 121.801 119.950 0.062 0.000 2.508 198 F HA 0.683 5.230 4.527 0.033 0.000 0.325 198 F C 1.020 176.820 175.800 -0.001 0.000 1.090 198 F CA -0.334 57.691 58.000 0.042 0.000 0.945 198 F CB 1.908 40.942 39.000 0.056 0.000 1.156 198 F HN 0.248 nan 8.300 nan 0.000 0.463 199 S N 0.212 116.004 115.700 0.153 0.000 2.617 199 S HA 0.104 4.594 4.470 0.033 0.000 0.259 199 S C 0.561 175.199 174.600 0.063 0.000 1.301 199 S CA -0.636 57.601 58.200 0.061 0.000 0.984 199 S CB 0.671 63.876 63.200 0.009 0.000 0.954 199 S HN 0.597 nan 8.310 nan 0.000 0.572 200 D N 0.743 121.160 120.400 0.029 0.000 2.378 200 D HA 0.070 4.730 4.640 0.033 0.000 0.222 200 D C 1.746 178.047 176.300 0.002 0.000 0.980 200 D CA 1.130 55.141 54.000 0.018 0.000 0.907 200 D CB -0.580 40.227 40.800 0.011 0.000 0.899 200 D HN 0.684 nan 8.370 nan 0.000 0.527 201 A N -0.046 122.771 122.820 -0.005 0.000 2.206 201 A HA 0.391 4.731 4.320 0.033 0.000 0.211 201 A C 1.276 178.826 177.584 -0.056 0.000 1.158 201 A CA 0.884 52.905 52.037 -0.028 0.000 0.761 201 A CB 0.269 19.248 19.000 -0.035 0.000 0.801 201 A HN 0.194 nan 8.150 nan 0.000 0.473 202 G N 0.565 109.339 108.800 -0.042 0.000 3.288 202 G HA2 0.334 4.314 3.960 0.033 0.000 0.285 202 G HA3 0.334 4.314 3.960 0.033 0.000 0.285 202 G C -0.582 174.259 174.900 -0.099 0.000 3.680 202 G CA 0.063 45.110 45.100 -0.088 0.000 0.508 202 G HN 0.314 nan 8.290 nan 0.000 0.300 203 N N 0.397 119.046 118.700 -0.086 0.000 2.238 203 N HA 0.371 5.131 4.740 0.033 0.000 0.235 203 N C 1.463 176.898 175.510 -0.126 0.000 1.209 203 N CA 0.262 53.253 53.050 -0.099 0.000 0.879 203 N CB 0.880 39.389 38.487 0.037 0.000 1.136 203 N HN 1.471 nan 8.380 nan 0.000 0.517 204 G N 0.537 109.269 108.800 -0.113 0.000 2.217 204 G HA2 -0.349 3.631 3.960 0.033 0.000 0.246 204 G HA3 -0.349 3.631 3.960 0.033 0.000 0.246 204 G C 0.961 175.921 174.900 0.100 0.000 0.990 204 G CA 0.526 45.634 45.100 0.014 0.000 0.627 204 G HN 0.420 nan 8.290 nan 0.000 0.522 205 K N -0.515 119.907 120.400 0.037 0.000 2.099 205 K HA 0.131 4.471 4.320 0.033 0.000 0.203 205 K C 1.890 178.476 176.600 -0.024 0.000 1.047 205 K CA 1.189 57.485 56.287 0.016 0.000 0.963 205 K CB -0.082 32.427 32.500 0.014 0.000 0.759 205 K HN 0.271 nan 8.250 nan 0.000 0.451 206 N N -0.598 118.077 118.700 -0.041 0.000 2.397 206 N HA 0.083 4.843 4.740 0.033 0.000 0.190 206 N C -0.544 174.914 175.510 -0.085 0.000 1.099 206 N CA 0.275 53.282 53.050 -0.072 0.000 0.876 206 N CB 1.288 39.726 38.487 -0.082 0.000 1.143 206 N HN -0.160 nan 8.380 nan 0.000 0.468 207 V N 0.489 120.357 119.914 -0.076 0.000 2.925 207 V HA 0.687 4.827 4.120 0.033 0.000 0.311 207 V C -0.480 175.558 176.094 -0.094 0.000 1.104 207 V CA -1.560 60.686 62.300 -0.090 0.000 0.954 207 V CB 1.848 33.613 31.823 -0.097 0.000 1.022 207 V HN 0.147 nan 8.190 nan 0.000 0.427 208 A N 2.247 125.006 122.820 -0.102 0.000 2.466 208 A HA 0.686 5.026 4.320 0.033 0.000 0.238 208 A C 0.610 178.077 177.584 -0.195 0.000 1.074 208 A CA 0.475 52.445 52.037 -0.111 0.000 0.774 208 A CB 0.232 19.185 19.000 -0.078 0.000 1.015 208 A HN 1.618 nan 8.150 nan 0.000 0.498 209 A N 1.788 124.420 122.820 -0.313 0.000 2.409 209 A HA 0.580 4.920 4.320 0.033 0.000 0.267 209 A C 0.721 178.161 177.584 -0.241 0.000 1.127 209 A CA 0.514 52.207 52.037 -0.573 0.000 0.795 209 A CB -0.394 17.807 19.000 -1.331 0.000 1.061 209 A HN 1.743 nan 8.150 nan 0.000 0.502 210 T N -1.540 112.907 114.554 -0.177 0.000 2.838 210 T HA 0.497 4.867 4.350 0.033 0.000 0.292 210 T C 0.908 175.132 174.700 -0.792 0.000 1.113 210 T CA 0.093 61.929 62.100 -0.440 0.000 1.008 210 T CB 0.995 69.606 68.868 -0.428 0.000 1.259 210 T HN 0.985 nan 8.240 nan 0.000 0.520 211 S N -0.214 114.596 115.700 -1.483 0.000 2.555 211 S HA 0.043 4.533 4.470 0.033 0.000 0.230 211 S C 1.712 176.015 174.600 -0.495 0.000 0.978 211 S CA 0.207 57.741 58.200 -1.111 0.000 0.934 211 S CB -0.980 61.521 63.200 -1.165 0.000 0.766 211 S HN 0.625 nan 8.310 nan 0.000 0.533 212 I N 2.384 122.561 120.570 -0.655 0.000 2.406 212 I HA -0.094 4.096 4.170 0.033 0.000 0.249 212 I C 2.577 178.485 176.117 -0.349 0.000 1.122 212 I CA 1.331 62.215 61.300 -0.693 0.000 1.431 212 I CB -0.259 37.105 38.000 -1.060 0.000 1.087 212 I HN 0.476 nan 8.210 nan 0.000 0.424 213 S N -1.533 114.053 115.700 -0.191 0.000 2.524 213 S HA 0.061 4.551 4.470 0.033 0.000 0.215 213 S C 0.677 175.361 174.600 0.141 0.000 0.986 213 S CA -0.430 57.760 58.200 -0.016 0.000 0.911 213 S CB -0.233 62.980 63.200 0.022 0.000 0.805 213 S HN 0.204 nan 8.310 nan 0.000 0.501 214 D N 3.385 123.896 120.400 0.184 0.000 2.488 214 D HA -0.031 4.629 4.640 0.033 0.000 0.238 214 D C -0.172 176.087 176.300 -0.070 0.000 1.138 214 D CA 0.417 54.410 54.000 -0.011 0.000 0.873 214 D CB 0.131 41.045 40.800 0.191 0.000 1.183 214 D HN 0.428 nan 8.370 nan 0.000 0.458 215 N N 3.493 122.106 118.700 -0.145 0.000 2.895 215 N HA 0.146 4.906 4.740 0.033 0.000 0.277 215 N C -0.407 175.089 175.510 -0.022 0.000 1.185 215 N CA -0.522 52.461 53.050 -0.112 0.000 1.106 215 N CB 0.083 38.461 38.487 -0.181 0.000 1.422 215 N HN 0.184 nan 8.380 nan 0.000 0.521 216 V N 0.545 120.434 119.914 -0.040 0.000 3.166 216 V HA 0.473 4.613 4.120 0.033 0.000 0.317 216 V C 0.080 176.175 176.094 0.002 0.000 1.136 216 V CA -1.323 60.951 62.300 -0.043 0.000 1.035 216 V CB 1.421 33.102 31.823 -0.236 0.000 1.110 216 V HN 0.381 nan 8.190 nan 0.000 0.450 217 N N 1.028 119.731 118.700 0.006 0.000 2.431 217 N HA 0.294 5.053 4.740 0.033 0.000 0.265 217 N C 0.562 176.062 175.510 -0.016 0.000 1.184 217 N CA 0.136 53.208 53.050 0.037 0.000 0.943 217 N CB 0.608 39.129 38.487 0.056 0.000 1.080 217 N HN 0.710 nan 8.380 nan 0.000 0.477 218 R N 1.501 121.981 120.500 -0.033 0.000 2.344 218 R HA 0.097 4.457 4.340 0.033 0.000 0.209 218 R C -0.325 175.922 176.300 -0.088 0.000 0.886 218 R CA 0.559 56.626 56.100 -0.055 0.000 1.040 218 R CB 0.452 30.718 30.300 -0.056 0.000 1.114 218 R HN 0.640 nan 8.270 nan 0.000 0.547 219 D N -1.449 118.849 120.400 -0.170 0.000 2.540 219 D HA 0.063 4.723 4.640 0.033 0.000 0.229 219 D C -0.132 175.946 176.300 -0.370 0.000 1.250 219 D CA -0.209 53.631 54.000 -0.267 0.000 0.817 219 D CB 0.149 40.763 40.800 -0.311 0.000 1.060 219 D HN -0.001 nan 8.370 nan 0.000 0.508 220 H N 1.141 120.209 119.070 -0.004 0.000 2.539 220 H HA 0.381 4.956 4.556 0.033 0.000 0.332 220 H C -0.057 175.267 175.328 -0.008 0.000 1.031 220 H CA -0.626 55.419 56.048 -0.005 0.000 1.206 220 H CB 1.448 31.206 29.762 -0.006 0.000 1.446 220 H HN -0.045 nan 8.280 nan 0.000 0.496 221 K N 1.548 122.012 120.400 0.106 0.000 2.355 221 K HA 0.170 4.510 4.320 0.033 0.000 0.270 221 K C 0.171 176.798 176.600 0.045 0.000 1.003 221 K CA -0.558 55.762 56.287 0.055 0.000 0.957 221 K CB 1.042 33.566 32.500 0.040 0.000 0.939 221 K HN 0.181 nan 8.250 nan 0.000 0.482 222 V N 2.205 122.134 119.914 0.025 0.000 2.694 222 V HA 0.024 4.164 4.120 0.033 0.000 0.306 222 V C 1.486 177.582 176.094 0.004 0.000 1.054 222 V CA 1.901 64.206 62.300 0.007 0.000 1.161 222 V CB 0.250 32.072 31.823 -0.001 0.000 0.916 222 V HN 1.160 nan 8.190 nan 0.000 0.490 223 G N 3.302 112.097 108.800 -0.007 0.000 2.284 223 G HA2 -0.219 3.760 3.960 0.033 0.000 0.216 223 G HA3 -0.219 3.760 3.960 0.033 0.000 0.216 223 G C 0.315 175.208 174.900 -0.013 0.000 1.009 223 G CA 0.227 45.321 45.100 -0.010 0.000 0.625 223 G HN 0.800 nan 8.290 nan 0.000 0.501 224 E N 1.372 121.568 120.200 -0.007 0.000 2.418 224 E HA 0.444 4.814 4.350 0.033 0.000 0.261 224 E C 0.004 176.578 176.600 -0.045 0.000 1.070 224 E CA 0.111 56.501 56.400 -0.016 0.000 0.931 224 E CB 0.238 29.939 29.700 0.002 0.000 0.954 224 E HN 0.426 nan 8.360 nan 0.000 0.439 225 K N 3.288 123.656 120.400 -0.052 0.000 2.323 225 K HA 0.379 4.719 4.320 0.033 0.000 0.259 225 K C -1.283 175.262 176.600 -0.091 0.000 0.947 225 K CA -0.749 55.498 56.287 -0.066 0.000 0.819 225 K CB 1.274 33.746 32.500 -0.047 0.000 1.109 225 K HN 0.243 nan 8.250 nan 0.000 0.429 226 L N 2.929 124.079 121.223 -0.121 0.000 2.295 226 L HA 0.403 4.762 4.340 0.033 0.000 0.281 226 L C 0.937 177.754 176.870 -0.088 0.000 1.018 226 L CA 0.281 55.042 54.840 -0.132 0.000 0.841 226 L CB 0.862 42.791 42.059 -0.216 0.000 1.218 226 L HN 0.986 nan 8.230 nan 0.000 0.424 227 G N 2.995 111.758 108.800 -0.063 0.000 2.556 227 G HA2 -0.361 3.618 3.960 0.033 0.000 0.283 227 G HA3 -0.361 3.618 3.960 0.033 0.000 0.283 227 G C 0.311 175.183 174.900 -0.046 0.000 1.177 227 G CA 0.499 45.571 45.100 -0.047 0.000 0.978 227 G HN 0.594 nan 8.290 nan 0.000 0.554 228 D N 1.751 122.125 120.400 -0.044 0.000 2.491 228 D HA 0.280 4.940 4.640 0.033 0.000 0.228 228 D C 0.036 176.306 176.300 -0.050 0.000 1.183 228 D CA -0.219 53.756 54.000 -0.042 0.000 0.827 228 D CB -0.008 40.772 40.800 -0.034 0.000 0.989 228 D HN 0.232 nan 8.370 nan 0.000 0.494 229 N N 1.571 120.234 118.700 -0.063 0.000 2.439 229 N HA 0.135 4.895 4.740 0.033 0.000 0.249 229 N C -0.405 175.059 175.510 -0.076 0.000 1.003 229 N CA -0.100 52.906 53.050 -0.072 0.000 0.942 229 N CB 1.045 39.480 38.487 -0.086 0.000 1.115 229 N HN 0.211 nan 8.380 nan 0.000 0.505 230 E N 0.552 120.713 120.200 -0.064 0.000 2.338 230 E HA 0.183 4.553 4.350 0.033 0.000 0.272 230 E C -0.183 176.379 176.600 -0.062 0.000 1.029 230 E CA -0.480 55.885 56.400 -0.059 0.000 0.872 230 E CB 1.463 31.135 29.700 -0.048 0.000 1.015 230 E HN 0.172 nan 8.360 nan 0.000 0.417 231 V N 4.338 124.219 119.914 -0.055 0.000 2.427 231 V HA -0.016 4.124 4.120 0.033 0.000 0.268 231 V C 0.742 176.813 176.094 -0.038 0.000 1.046 231 V CA 0.220 62.495 62.300 -0.042 0.000 0.970 231 V CB 0.867 32.682 31.823 -0.014 0.000 1.001 231 V HN 0.642 nan 8.190 nan 0.000 0.476 232 K N 2.960 123.331 120.400 -0.048 0.000 2.284 232 K HA 0.370 4.710 4.320 0.033 0.000 0.198 232 K C 0.750 177.314 176.600 -0.061 0.000 1.048 232 K CA 0.684 56.935 56.287 -0.060 0.000 0.987 232 K CB 0.556 33.011 32.500 -0.076 0.000 0.800 232 K HN 0.851 nan 8.250 nan 0.000 0.486 233 G N -0.815 107.959 108.800 -0.043 0.000 2.632 233 G HA2 0.459 4.439 3.960 0.033 0.000 0.292 233 G HA3 0.459 4.439 3.960 0.033 0.000 0.292 233 G C -1.740 173.154 174.900 -0.010 0.000 1.465 233 G CA -0.669 44.411 45.100 -0.032 0.000 0.824 233 G HN -0.156 nan 8.290 nan 0.000 0.509 234 V N 1.526 121.442 119.914 0.002 0.000 2.459 234 V HA 0.661 4.801 4.120 0.033 0.000 0.295 234 V C 1.308 177.387 176.094 -0.025 0.000 1.029 234 V CA 0.850 63.149 62.300 -0.002 0.000 0.874 234 V CB 0.424 32.253 31.823 0.011 0.000 0.985 234 V HN 2.405 nan 8.190 nan 0.000 0.438 235 A N 4.664 127.428 122.820 -0.094 0.000 5.324 235 A HA -0.294 4.046 4.320 0.033 0.000 0.337 235 A C 0.235 177.607 177.584 -0.353 0.000 1.730 235 A CA 1.970 53.854 52.037 -0.255 0.000 0.711 235 A CB -1.523 17.412 19.000 -0.109 0.000 1.434 235 A HN 1.100 nan 8.150 nan 0.000 0.400 236 H N 0.122 119.200 119.070 0.012 0.000 2.685 236 H HA 0.576 5.152 4.556 0.033 0.000 0.307 236 H C 0.073 175.546 175.328 0.241 0.000 1.017 236 H CA 0.259 56.302 56.048 -0.008 0.000 1.237 236 H CB 1.282 30.674 29.762 -0.617 0.000 1.409 236 H HN 0.871 nan 8.280 nan 0.000 0.488 237 S N 2.073 118.096 115.700 0.538 0.000 2.593 237 S HA 0.738 5.227 4.470 0.033 0.000 0.297 237 S C -0.034 174.908 174.600 0.569 0.000 1.112 237 S CA -0.879 57.597 58.200 0.461 0.000 1.043 237 S CB 1.797 65.151 63.200 0.256 0.000 1.054 237 S HN 0.576 nan 8.310 nan 0.000 0.516 238 S N 0.231 116.163 115.700 0.387 0.000 2.542 238 S HA 0.732 5.222 4.470 0.033 0.000 0.293 238 S C -1.101 173.516 174.600 0.027 0.000 1.089 238 S CA -0.745 57.541 58.200 0.144 0.000 0.961 238 S CB 1.679 65.016 63.200 0.229 0.000 1.062 238 S HN 0.938 nan 8.310 nan 0.000 0.483 239 E N 0.866 120.893 120.200 -0.289 0.000 2.308 239 E HA 0.629 4.999 4.350 0.033 0.000 0.275 239 E C -1.938 174.319 176.600 -0.573 0.000 0.890 239 E CA -0.725 55.558 56.400 -0.194 0.000 0.754 239 E CB 1.334 31.035 29.700 0.002 0.000 1.207 239 E HN 0.633 nan 8.360 nan 0.000 0.426 240 F N 1.299 121.287 119.950 0.063 0.000 2.565 240 F HA 0.673 5.220 4.527 0.034 0.000 0.313 240 F C -0.120 175.714 175.800 0.057 0.000 1.091 240 F CA -0.888 57.108 58.000 -0.006 0.000 0.915 240 F CB 2.292 41.241 39.000 -0.085 0.000 1.208 240 F HN 0.448 nan 8.300 nan 0.000 0.453 241 A N 2.426 125.342 122.820 0.160 0.000 2.285 241 A HA 0.729 5.069 4.320 0.033 0.000 0.310 241 A C -1.276 176.329 177.584 0.035 0.000 1.266 241 A CA -0.629 51.470 52.037 0.103 0.000 0.832 241 A CB 0.505 19.527 19.000 0.038 0.000 1.163 241 A HN 0.538 nan 8.150 nan 0.000 0.499 242 V N 2.919 122.849 119.914 0.026 0.000 2.370 242 V HA 0.252 4.392 4.120 0.033 0.000 0.279 242 V C -0.309 175.629 176.094 -0.260 0.000 1.029 242 V CA -0.459 61.703 62.300 -0.230 0.000 0.870 242 V CB 1.583 33.106 31.823 -0.499 0.000 0.984 242 V HN 0.864 nan 8.190 nan 0.000 0.451 243 D N 3.907 124.163 120.400 -0.239 0.000 2.499 243 D HA 0.266 4.926 4.640 0.033 0.000 0.225 243 D C 0.633 176.860 176.300 -0.122 0.000 1.124 243 D CA -0.330 53.602 54.000 -0.113 0.000 0.938 243 D CB 0.495 41.262 40.800 -0.055 0.000 1.014 243 D HN 0.345 nan 8.370 nan 0.000 0.517 244 F N 1.082 121.032 119.950 -0.001 0.000 2.186 244 F HA -0.104 4.442 4.527 0.032 0.000 0.299 244 F C 1.984 177.773 175.800 -0.018 0.000 1.090 244 F CA 0.788 58.769 58.000 -0.031 0.000 1.307 244 F CB 0.024 38.983 39.000 -0.067 0.000 1.019 244 F HN 0.274 nan 8.300 nan 0.000 0.489 245 D N -0.409 120.088 120.400 0.162 0.000 2.178 245 D HA -0.138 4.522 4.640 0.033 0.000 0.201 245 D C 1.476 177.810 176.300 0.058 0.000 0.980 245 D CA 1.081 55.136 54.000 0.090 0.000 0.842 245 D CB -0.371 40.467 40.800 0.064 0.000 0.948 245 D HN 0.222 nan 8.370 nan 0.000 0.472 246 N N 0.456 119.180 118.700 0.041 0.000 2.230 246 N HA -0.012 4.748 4.740 0.033 0.000 0.202 246 N C -0.208 175.315 175.510 0.022 0.000 1.119 246 N CA 0.058 53.122 53.050 0.023 0.000 0.851 246 N CB 0.567 39.059 38.487 0.008 0.000 0.990 246 N HN -0.068 nan 8.380 nan 0.000 0.497 247 K N 0.323 120.743 120.400 0.033 0.000 3.096 247 K HA -0.181 4.159 4.320 0.033 0.000 0.266 247 K C -0.485 176.122 176.600 0.012 0.000 1.043 247 K CA 0.875 57.188 56.287 0.043 0.000 0.758 247 K CB -1.641 30.897 32.500 0.063 0.000 1.260 247 K HN 0.430 nan 8.250 nan 0.000 0.481 248 K N -0.393 119.982 120.400 -0.042 0.000 2.466 248 K HA 0.737 5.077 4.320 0.033 0.000 0.260 248 K C -0.437 176.087 176.600 -0.126 0.000 1.011 248 K CA -1.152 55.100 56.287 -0.058 0.000 0.871 248 K CB 1.556 34.030 32.500 -0.042 0.000 1.404 248 K HN 0.063 nan 8.250 nan 0.000 0.450 249 L N -2.378 118.768 121.223 -0.128 0.000 2.540 249 L HA 0.704 5.064 4.340 0.033 0.000 0.256 249 L C -0.675 176.130 176.870 -0.109 0.000 1.001 249 L CA -0.528 54.217 54.840 -0.157 0.000 0.843 249 L CB 1.739 43.632 42.059 -0.277 0.000 1.436 249 L HN 0.784 nan 8.230 nan 0.000 0.410 250 T N -1.940 112.571 114.554 -0.072 0.000 2.864 250 T HA 1.035 5.405 4.350 0.033 0.000 0.289 250 T C -0.116 174.559 174.700 -0.041 0.000 1.082 250 T CA -0.346 61.712 62.100 -0.070 0.000 1.009 250 T CB 1.683 70.503 68.868 -0.079 0.000 1.234 250 T HN 1.603 nan 8.240 nan 0.000 0.526 251 G N -0.483 108.219 108.800 -0.163 0.000 2.495 251 G HA2 0.578 4.558 3.960 0.033 0.000 0.294 251 G HA3 0.578 4.558 3.960 0.033 0.000 0.294 251 G C -1.671 172.938 174.900 -0.486 0.000 1.397 251 G CA -0.820 44.033 45.100 -0.412 0.000 0.790 251 G HN 0.882 nan 8.290 nan 0.000 0.486 252 S N -0.882 114.428 115.700 -0.650 0.000 2.540 252 S HA 0.691 5.181 4.470 0.033 0.000 0.275 252 S C -0.929 173.224 174.600 -0.745 0.000 1.123 252 S CA -0.549 57.273 58.200 -0.631 0.000 0.907 252 S CB 1.474 64.355 63.200 -0.531 0.000 1.081 252 S HN 0.599 nan 8.310 nan 0.000 0.476 253 L N 2.912 123.646 121.223 -0.815 0.000 2.362 253 L HA 0.633 4.993 4.340 0.033 0.000 0.275 253 L C -1.534 174.979 176.870 -0.596 0.000 0.998 253 L CA -0.735 53.609 54.840 -0.827 0.000 0.820 253 L CB 1.057 42.248 42.059 -1.447 0.000 1.270 253 L HN 0.630 nan 8.230 nan 0.000 0.415 254 Y N 1.385 121.767 120.300 0.138 0.000 2.485 254 Y HA 0.542 5.111 4.550 0.033 0.000 0.345 254 Y C -0.072 176.118 175.900 0.483 0.000 0.998 254 Y CA -0.767 57.471 58.100 0.229 0.000 1.059 254 Y CB 2.120 40.648 38.460 0.114 0.000 1.234 254 Y HN 0.457 nan 8.280 nan 0.000 0.461 255 R N 2.776 123.537 120.500 0.435 0.000 2.295 255 R HA 0.377 4.737 4.340 0.033 0.000 0.324 255 R C -1.437 174.928 176.300 0.109 0.000 0.968 255 R CA -0.524 55.736 56.100 0.265 0.000 0.837 255 R CB 0.450 30.855 30.300 0.175 0.000 1.133 255 R HN 0.746 nan 8.270 nan 0.000 0.450 256 N N 3.258 121.960 118.700 0.004 0.000 2.527 256 N HA 0.138 4.898 4.740 0.033 0.000 0.236 256 N C -0.069 175.411 175.510 -0.051 0.000 0.999 256 N CA -0.178 52.860 53.050 -0.021 0.000 0.935 256 N CB 1.888 40.361 38.487 -0.023 0.000 1.132 256 N HN 0.751 nan 8.380 nan 0.000 0.511 257 G N 1.115 109.891 108.800 -0.040 0.000 2.664 257 G HA2 0.037 4.017 3.960 0.033 0.000 0.242 257 G HA3 0.037 4.017 3.960 0.033 0.000 0.242 257 G C -0.085 174.812 174.900 -0.006 0.000 1.225 257 G CA -0.292 44.791 45.100 -0.027 0.000 0.849 257 G HN 0.571 nan 8.290 nan 0.000 0.581 258 Y N -0.642 119.630 120.300 -0.047 0.000 2.578 258 Y HA 0.517 5.087 4.550 0.033 0.000 0.339 258 Y C 0.176 176.071 175.900 -0.008 0.000 1.231 258 Y CA -1.086 57.002 58.100 -0.020 0.000 1.461 258 Y CB 0.601 39.049 38.460 -0.020 0.000 1.323 258 Y HN 0.418 nan 8.280 nan 0.000 0.590 259 I N 3.832 124.417 120.570 0.024 0.000 2.533 259 I HA 0.444 4.634 4.170 0.033 0.000 0.290 259 I C -1.598 174.503 176.117 -0.026 0.000 1.056 259 I CA -0.702 60.546 61.300 -0.086 0.000 1.057 259 I CB 1.590 39.543 38.000 -0.078 0.000 1.240 259 I HN 0.853 nan 8.210 nan 0.000 0.423 260 N N 4.388 123.045 118.700 -0.071 0.000 2.966 260 N HA 0.470 5.230 4.740 0.033 0.000 0.314 260 N C 0.265 175.729 175.510 -0.076 0.000 1.397 260 N CA -0.674 52.354 53.050 -0.036 0.000 0.776 260 N CB 1.508 40.008 38.487 0.020 0.000 1.576 260 N HN 0.598 nan 8.380 nan 0.000 0.592 261 R N -0.372 120.096 120.500 -0.054 0.000 2.240 261 R HA 0.236 4.596 4.340 0.033 0.000 0.203 261 R C -0.077 176.200 176.300 -0.038 0.000 1.011 261 R CA 0.771 56.840 56.100 -0.052 0.000 1.007 261 R CB -0.099 30.177 30.300 -0.040 0.000 0.911 261 R HN 0.264 nan 8.270 nan 0.000 0.468 262 N N 1.062 119.747 118.700 -0.025 0.000 2.353 262 N HA 0.005 4.765 4.740 0.033 0.000 0.185 262 N C -0.523 174.965 175.510 -0.037 0.000 1.098 262 N CA 0.484 53.523 53.050 -0.018 0.000 0.872 262 N CB 0.721 39.212 38.487 0.007 0.000 0.970 262 N HN 0.268 nan 8.380 nan 0.000 0.467 263 K N 0.468 120.828 120.400 -0.068 0.000 2.656 263 K HA 0.486 4.826 4.320 0.033 0.000 0.253 263 K C -1.280 175.230 176.600 -0.150 0.000 1.002 263 K CA -0.493 55.722 56.287 -0.119 0.000 0.880 263 K CB 1.462 33.856 32.500 -0.178 0.000 1.232 263 K HN -0.077 nan 8.250 nan 0.000 0.456 264 A N 3.148 125.892 122.820 -0.127 0.000 2.466 264 A HA 0.094 4.434 4.320 0.033 0.000 0.238 264 A C -0.167 177.322 177.584 -0.158 0.000 1.074 264 A CA -0.075 51.890 52.037 -0.121 0.000 0.774 264 A CB 0.426 19.371 19.000 -0.091 0.000 1.015 264 A HN 0.816 nan 8.150 nan 0.000 0.498 265 Q N 0.526 120.245 119.800 -0.135 0.000 2.304 265 Q HA 0.190 4.550 4.340 0.033 0.000 0.260 265 Q C -0.743 175.187 176.000 -0.117 0.000 0.965 265 Q CA 0.076 55.795 55.803 -0.141 0.000 0.898 265 Q CB 0.412 29.090 28.738 -0.100 0.000 1.196 265 Q HN 0.709 nan 8.270 nan 0.000 0.402 266 E N 3.092 123.217 120.200 -0.126 0.000 2.081 266 E HA 0.243 4.613 4.350 0.033 0.000 0.281 266 E C -1.143 175.428 176.600 -0.049 0.000 0.986 266 E CA -0.482 55.869 56.400 -0.082 0.000 0.796 266 E CB 1.560 31.210 29.700 -0.084 0.000 1.085 266 E HN 0.326 nan 8.360 nan 0.000 0.398 267 V N 3.663 123.560 119.914 -0.029 0.000 2.350 267 V HA 0.272 4.412 4.120 0.033 0.000 0.276 267 V C 0.175 176.303 176.094 0.057 0.000 1.028 267 V CA -0.504 61.802 62.300 0.009 0.000 0.860 267 V CB 1.201 33.007 31.823 -0.028 0.000 0.990 267 V HN 0.745 nan 8.190 nan 0.000 0.453 268 T N 1.700 116.311 114.554 0.096 0.000 2.861 268 T HA 0.498 4.868 4.350 0.033 0.000 0.287 268 T C -0.612 174.148 174.700 0.100 0.000 1.003 268 T CA -0.908 61.236 62.100 0.074 0.000 0.977 268 T CB 1.703 70.568 68.868 -0.005 0.000 0.996 268 T HN 0.514 nan 8.240 nan 0.000 0.448 269 K N 1.983 122.391 120.400 0.014 0.000 2.349 269 K HA 0.219 4.558 4.320 0.033 0.000 0.288 269 K C 0.841 177.273 176.600 -0.280 0.000 1.058 269 K CA -0.799 55.335 56.287 -0.254 0.000 0.953 269 K CB 0.425 32.728 32.500 -0.328 0.000 0.997 269 K HN 0.467 nan 8.250 nan 0.000 0.477 270 R N 2.620 122.918 120.500 -0.338 0.000 2.156 270 R HA 0.056 4.416 4.340 0.033 0.000 0.207 270 R C -0.079 175.819 176.300 -0.669 0.000 1.040 270 R CA 0.893 56.721 56.100 -0.453 0.000 1.013 270 R CB 0.140 30.218 30.300 -0.370 0.000 0.931 270 R HN 0.537 nan 8.270 nan 0.000 0.465 271 Y N -1.155 118.862 120.300 -0.471 0.000 2.544 271 Y HA 0.288 4.858 4.550 0.034 0.000 0.342 271 Y C -0.338 175.272 175.900 -0.483 0.000 1.062 271 Y CA -0.635 57.194 58.100 -0.452 0.000 1.023 271 Y CB 2.231 40.377 38.460 -0.524 0.000 1.308 271 Y HN -0.272 nan 8.280 nan 0.000 0.457 272 S N 3.159 118.740 115.700 -0.198 0.000 2.549 272 S HA 0.727 5.217 4.470 0.033 0.000 0.297 272 S C -0.787 173.667 174.600 -0.243 0.000 1.115 272 S CA -0.636 57.417 58.200 -0.244 0.000 1.059 272 S CB 0.847 63.932 63.200 -0.191 0.000 1.046 272 S HN 0.412 nan 8.310 nan 0.000 0.506 273 I N 2.405 122.816 120.570 -0.266 0.000 2.569 273 I HA 0.449 4.639 4.170 0.033 0.000 0.296 273 I C -0.397 175.622 176.117 -0.163 0.000 1.028 273 I CA -0.599 60.555 61.300 -0.243 0.000 1.082 273 I CB 2.065 39.903 38.000 -0.271 0.000 1.264 273 I HN 0.714 nan 8.210 nan 0.000 0.429 274 E N 5.389 125.509 120.200 -0.134 0.000 2.314 274 E HA 0.882 5.252 4.350 0.033 0.000 0.272 274 E C -1.684 174.878 176.600 -0.064 0.000 0.884 274 E CA -1.005 55.337 56.400 -0.096 0.000 0.753 274 E CB 2.764 32.414 29.700 -0.085 0.000 1.213 274 E HN 0.630 nan 8.360 nan 0.000 0.432 275 A N 2.482 125.271 122.820 -0.052 0.000 2.604 275 A HA 0.522 4.862 4.320 0.033 0.000 0.295 275 A C -1.759 175.834 177.584 0.014 0.000 1.067 275 A CA -0.960 51.083 52.037 0.009 0.000 0.683 275 A CB 1.703 20.747 19.000 0.074 0.000 1.281 275 A HN 0.648 nan 8.150 nan 0.000 0.407 276 D N 0.890 121.328 120.400 0.064 0.000 2.248 276 D HA 0.524 5.184 4.640 0.033 0.000 0.246 276 D C -0.603 175.779 176.300 0.138 0.000 1.027 276 D CA 0.055 54.097 54.000 0.070 0.000 0.853 276 D CB 1.846 42.677 40.800 0.051 0.000 1.243 276 D HN 0.446 nan 8.370 nan 0.000 0.462 277 I N 1.349 122.004 120.570 0.142 0.000 2.315 277 I HA 0.168 4.358 4.170 0.033 0.000 0.291 277 I C 0.131 176.349 176.117 0.168 0.000 1.006 277 I CA 0.043 61.474 61.300 0.220 0.000 1.265 277 I CB 1.132 39.276 38.000 0.241 0.000 1.387 277 I HN 0.029 nan 8.210 nan 0.000 0.475 278 T N 4.613 119.267 114.554 0.165 0.000 2.848 278 T HA 0.588 4.958 4.350 0.033 0.000 0.285 278 T C 0.497 175.283 174.700 0.142 0.000 0.995 278 T CA 0.090 62.267 62.100 0.129 0.000 0.970 278 T CB 1.747 70.671 68.868 0.094 0.000 0.976 278 T HN 1.041 nan 8.240 nan 0.000 0.441 279 G N 4.231 113.113 108.800 0.138 0.000 2.611 279 G HA2 -0.341 3.639 3.960 0.033 0.000 0.301 279 G HA3 -0.341 3.639 3.960 0.033 0.000 0.301 279 G C 0.485 175.493 174.900 0.181 0.000 1.233 279 G CA 0.569 45.755 45.100 0.143 0.000 0.993 279 G HN 0.995 nan 8.290 nan 0.000 0.553 280 N N 0.847 119.663 118.700 0.195 0.000 2.276 280 N HA 0.268 5.028 4.740 0.033 0.000 0.212 280 N C 0.668 176.345 175.510 0.277 0.000 1.127 280 N CA 0.223 53.436 53.050 0.272 0.000 0.834 280 N CB 0.352 38.955 38.487 0.193 0.000 1.014 280 N HN 0.558 nan 8.380 nan 0.000 0.491 281 R N 0.294 120.893 120.500 0.164 0.000 2.856 281 R HA 0.570 4.930 4.340 0.033 0.000 0.258 281 R C -0.628 175.715 176.300 0.071 0.000 1.066 281 R CA -0.727 55.334 56.100 -0.067 0.000 1.045 281 R CB 0.590 30.789 30.300 -0.167 0.000 1.178 281 R HN 0.266 nan 8.270 nan 0.000 0.499 282 F N -1.767 118.143 119.950 -0.066 0.000 2.599 282 F HA 0.719 5.265 4.527 0.031 0.000 0.311 282 F C -0.574 175.207 175.800 -0.032 0.000 1.076 282 F CA -1.240 56.736 58.000 -0.039 0.000 0.937 282 F CB 1.655 40.604 39.000 -0.085 0.000 1.282 282 F HN 0.165 nan 8.300 nan 0.000 0.460 283 R N 1.205 121.812 120.500 0.178 0.000 2.574 283 R HA 0.795 5.155 4.340 0.033 0.000 0.288 283 R C -0.380 175.984 176.300 0.107 0.000 1.004 283 R CA -0.886 55.274 56.100 0.101 0.000 0.895 283 R CB 2.134 32.464 30.300 0.049 0.000 1.191 283 R HN 1.151 nan 8.270 nan 0.000 0.444 284 G N 1.578 110.431 108.800 0.088 0.000 2.619 284 G HA2 0.367 4.347 3.960 0.033 0.000 0.146 284 G HA3 0.367 4.347 3.960 0.033 0.000 0.146 284 G C -1.502 173.382 174.900 -0.027 0.000 1.192 284 G CA -0.596 44.518 45.100 0.024 0.000 1.063 284 G HN 0.308 nan 8.290 nan 0.000 0.538 285 K N -0.667 119.687 120.400 -0.076 0.000 2.512 285 K HA 0.728 5.068 4.320 0.033 0.000 0.263 285 K C -1.164 175.288 176.600 -0.246 0.000 0.966 285 K CA -0.636 55.563 56.287 -0.146 0.000 0.851 285 K CB 2.762 35.182 32.500 -0.134 0.000 1.395 285 K HN 0.772 nan 8.250 nan 0.000 0.440 286 A N 1.880 124.467 122.820 -0.388 0.000 2.318 286 A HA 0.561 4.901 4.320 0.033 0.000 0.317 286 A C -1.156 176.292 177.584 -0.226 0.000 1.159 286 A CA -0.576 51.121 52.037 -0.568 0.000 0.799 286 A CB 0.831 18.899 19.000 -1.554 0.000 1.194 286 A HN 0.499 nan 8.150 nan 0.000 0.479 287 K N 1.722 122.071 120.400 -0.085 0.000 2.265 287 K HA 0.615 4.955 4.320 0.033 0.000 0.267 287 K C 0.083 176.683 176.600 0.001 0.000 0.994 287 K CA -0.059 56.212 56.287 -0.028 0.000 0.860 287 K CB 1.512 33.961 32.500 -0.085 0.000 1.099 287 K HN 0.867 nan 8.250 nan 0.000 0.448 288 A N 3.233 126.020 122.820 -0.055 0.000 2.520 288 A HA 0.069 4.409 4.320 0.033 0.000 0.245 288 A C 0.437 177.858 177.584 -0.272 0.000 1.072 288 A CA 0.148 51.981 52.037 -0.340 0.000 0.761 288 A CB 0.196 19.070 19.000 -0.210 0.000 1.004 288 A HN 0.774 nan 8.150 nan 0.000 0.499 289 E N 0.691 120.678 120.200 -0.356 0.000 2.474 289 E HA 0.045 4.415 4.350 0.033 0.000 0.194 289 E C -0.155 176.335 176.600 -0.183 0.000 1.041 289 E CA 0.510 56.766 56.400 -0.240 0.000 0.874 289 E CB 0.327 29.872 29.700 -0.257 0.000 0.914 289 E HN 0.541 nan 8.360 nan 0.000 0.498 290 K N 0.634 120.922 120.400 -0.187 0.000 2.450 290 K HA 0.439 4.779 4.320 0.033 0.000 0.257 290 K C -0.970 175.585 176.600 -0.075 0.000 0.953 290 K CA -0.409 55.808 56.287 -0.116 0.000 0.844 290 K CB 1.577 34.010 32.500 -0.112 0.000 1.103 290 K HN -0.078 nan 8.250 nan 0.000 0.429 291 A N 2.381 125.170 122.820 -0.052 0.000 2.483 291 A HA 0.471 4.811 4.320 0.033 0.000 0.238 291 A C 1.103 178.681 177.584 -0.009 0.000 1.070 291 A CA 0.736 52.755 52.037 -0.031 0.000 0.770 291 A CB -0.416 18.568 19.000 -0.026 0.000 1.008 291 A HN 1.248 nan 8.150 nan 0.000 0.497 292 G N 0.921 109.723 108.800 0.002 0.000 2.143 292 G HA2 -0.197 3.783 3.960 0.033 0.000 0.248 292 G HA3 -0.197 3.783 3.960 0.033 0.000 0.248 292 G C -0.036 174.884 174.900 0.034 0.000 0.991 292 G CA 0.374 45.484 45.100 0.018 0.000 0.689 292 G HN 1.032 nan 8.290 nan 0.000 0.522 293 D N 0.516 120.940 120.400 0.041 0.000 2.249 293 D HA 0.376 5.036 4.640 0.033 0.000 0.246 293 D C -0.403 175.927 176.300 0.050 0.000 1.114 293 D CA -1.407 52.637 54.000 0.073 0.000 0.854 293 D CB 1.631 42.514 40.800 0.138 0.000 1.132 293 D HN 0.129 nan 8.370 nan 0.000 0.461 294 P HA -0.023 nan 4.420 nan 0.000 0.229 294 P C 1.414 178.678 177.300 -0.061 0.000 1.160 294 P CA 0.687 63.804 63.100 0.029 0.000 0.777 294 P CB 0.211 31.963 31.700 0.087 0.000 0.814 295 I N -6.734 113.715 120.570 -0.202 0.000 3.883 295 I HA 0.248 4.438 4.170 0.033 0.000 0.305 295 I C 0.318 176.240 176.117 -0.326 0.000 1.247 295 I CA -0.034 61.056 61.300 -0.350 0.000 1.350 295 I CB -0.370 37.242 38.000 -0.647 0.000 1.194 295 I HN -0.381 nan 8.210 nan 0.000 0.441 296 F N 4.605 124.563 119.950 0.014 0.000 2.567 296 F HA 0.360 4.906 4.527 0.033 0.000 0.352 296 F C 0.840 176.630 175.800 -0.016 0.000 1.229 296 F CA -0.377 57.641 58.000 0.030 0.000 1.228 296 F CB -0.257 38.676 39.000 -0.111 0.000 1.568 296 F HN 0.132 nan 8.300 nan 0.000 0.634 297 T N -2.536 112.163 114.554 0.240 0.000 2.905 297 T HA 0.447 4.817 4.350 0.033 0.000 0.283 297 T C -0.329 174.531 174.700 0.266 0.000 1.031 297 T CA -1.207 60.989 62.100 0.161 0.000 1.002 297 T CB 1.439 70.369 68.868 0.104 0.000 1.200 297 T HN -0.021 nan 8.240 nan 0.000 0.560 298 D N 1.593 122.081 120.400 0.147 0.000 2.362 298 D HA 0.451 5.111 4.640 0.033 0.000 0.242 298 D C -0.013 176.351 176.300 0.105 0.000 1.132 298 D CA 0.116 54.184 54.000 0.114 0.000 0.907 298 D CB 0.959 41.779 40.800 0.034 0.000 1.195 298 D HN 0.740 nan 8.370 nan 0.000 0.429 299 S N 0.518 116.231 115.700 0.022 0.000 2.547 299 S HA 0.351 4.841 4.470 0.033 0.000 0.281 299 S C 0.105 174.670 174.600 -0.058 0.000 1.118 299 S CA -0.934 57.303 58.200 0.063 0.000 0.947 299 S CB 1.391 64.705 63.200 0.191 0.000 1.053 299 S HN 0.202 nan 8.310 nan 0.000 0.482 300 N N 0.660 119.274 118.700 -0.144 0.000 2.336 300 N HA 0.160 4.920 4.740 0.033 0.000 0.189 300 N C -1.151 173.996 175.510 -0.605 0.000 1.113 300 N CA 0.343 53.124 53.050 -0.449 0.000 0.858 300 N CB -0.105 37.961 38.487 -0.702 0.000 0.970 300 N HN 0.711 nan 8.380 nan 0.000 0.471 301 Y N 0.507 120.877 120.300 0.117 0.000 2.495 301 Y HA 0.389 4.959 4.550 0.033 0.000 0.362 301 Y C -0.245 175.799 175.900 0.240 0.000 0.956 301 Y CA -0.602 57.604 58.100 0.177 0.000 1.127 301 Y CB 0.583 39.183 38.460 0.233 0.000 1.173 301 Y HN -0.119 nan 8.280 nan 0.000 0.639 302 L N 1.828 123.197 121.223 0.245 0.000 2.307 302 L HA 0.682 5.042 4.340 0.033 0.000 0.284 302 L C -0.650 176.348 176.870 0.213 0.000 1.023 302 L CA -0.251 54.767 54.840 0.296 0.000 0.810 302 L CB 1.262 43.446 42.059 0.208 0.000 1.231 302 L HN 0.243 nan 8.230 nan 0.000 0.423 303 E N 3.377 123.676 120.200 0.166 0.000 2.335 303 E HA 0.657 5.027 4.350 0.033 0.000 0.280 303 E C -1.421 175.006 176.600 -0.289 0.000 0.918 303 E CA -0.351 56.016 56.400 -0.055 0.000 0.765 303 E CB 2.265 31.950 29.700 -0.025 0.000 1.218 303 E HN 0.833 nan 8.360 nan 0.000 0.425 304 G N 0.865 109.138 108.800 -0.879 0.000 2.634 304 G HA2 0.751 4.731 3.960 0.033 0.000 0.309 304 G HA3 0.751 4.731 3.960 0.033 0.000 0.309 304 G C -0.863 173.096 174.900 -1.568 0.000 1.299 304 G CA -0.092 44.301 45.100 -1.178 0.000 0.798 304 G HN 0.593 nan 8.290 nan 0.000 0.490 305 G N -1.680 106.488 108.800 -1.055 0.000 2.684 305 G HA2 0.612 4.592 3.960 0.033 0.000 0.290 305 G HA3 0.612 4.592 3.960 0.033 0.000 0.290 305 G C -1.755 172.826 174.900 -0.532 0.000 1.425 305 G CA -0.750 43.916 45.100 -0.724 0.000 0.822 305 G HN 0.439 nan 8.290 nan 0.000 0.482 306 F N 0.017 119.875 119.950 -0.154 0.000 2.394 306 F HA 0.670 5.218 4.527 0.035 0.000 0.340 306 F C -0.265 175.333 175.800 -0.336 0.000 1.105 306 F CA -0.202 57.758 58.000 -0.067 0.000 1.124 306 F CB 1.490 40.542 39.000 0.088 0.000 1.145 306 F HN 0.271 nan 8.300 nan 0.000 0.505 307 Y N 0.185 120.643 120.300 0.264 0.000 2.545 307 Y HA 0.702 5.274 4.550 0.036 0.000 0.348 307 Y C 0.395 176.263 175.900 -0.054 0.000 1.002 307 Y CA -1.330 56.848 58.100 0.130 0.000 1.039 307 Y CB 2.215 40.780 38.460 0.175 0.000 1.271 307 Y HN 0.868 nan 8.280 nan 0.000 0.467 308 G N 1.810 110.449 108.800 -0.267 0.000 2.675 308 G HA2 -0.114 3.866 3.960 0.033 0.000 0.686 308 G HA3 -0.114 3.866 3.960 0.033 0.000 0.686 308 G C -2.679 171.993 174.900 -0.379 0.000 1.215 308 G CA -1.089 43.438 45.100 -0.956 0.000 0.777 308 G HN 0.408 nan 8.290 nan 0.000 0.638 309 P HA -0.009 nan 4.420 nan 0.000 0.218 309 P C 1.218 178.463 177.300 -0.093 0.000 1.148 309 P CA 1.544 64.568 63.100 -0.127 0.000 0.822 309 P CB 0.090 31.752 31.700 -0.064 0.000 0.784 310 K N -1.542 118.803 120.400 -0.092 0.000 2.514 310 K HA 0.480 4.820 4.320 0.033 0.000 0.207 310 K C 0.149 176.709 176.600 -0.067 0.000 1.035 310 K CA 0.025 56.264 56.287 -0.079 0.000 1.113 310 K CB 0.286 32.754 32.500 -0.053 0.000 0.846 310 K HN -0.105 nan 8.250 nan 0.000 0.491 311 A N 1.369 124.183 122.820 -0.010 0.000 2.846 311 A HA -0.239 4.100 4.320 0.033 0.000 0.287 311 A C 0.820 178.597 177.584 0.322 0.000 1.469 311 A CA 1.011 53.139 52.037 0.152 0.000 0.757 311 A CB -1.832 17.148 19.000 -0.033 0.000 1.033 311 A HN 0.508 nan 8.150 nan 0.000 0.516 312 E N 0.103 120.446 120.200 0.240 0.000 2.204 312 E HA 0.007 4.377 4.350 0.033 0.000 0.195 312 E C 0.885 177.791 176.600 0.510 0.000 0.990 312 E CA 1.708 58.293 56.400 0.308 0.000 0.821 312 E CB 0.093 29.978 29.700 0.307 0.000 0.750 312 E HN 0.912 nan 8.360 nan 0.000 0.477 313 E N -0.734 119.803 120.200 0.560 0.000 2.392 313 E HA 0.540 4.910 4.350 0.033 0.000 0.269 313 E C -0.620 176.273 176.600 0.488 0.000 0.924 313 E CA -0.758 55.985 56.400 0.573 0.000 0.784 313 E CB 2.077 32.067 29.700 0.483 0.000 1.292 313 E HN -0.024 nan 8.360 nan 0.000 0.447 314 M N -0.461 119.316 119.600 0.295 0.000 2.531 314 M HA 0.905 5.405 4.480 0.033 0.000 0.286 314 M C -1.675 174.673 176.300 0.079 0.000 1.232 314 M CA -0.910 54.425 55.300 0.058 0.000 0.877 314 M CB 2.469 34.799 32.600 -0.450 0.000 1.726 314 M HN 0.529 nan 8.290 nan 0.000 0.463 315 A N 0.866 123.691 122.820 0.009 0.000 2.604 315 A HA 1.037 5.377 4.320 0.033 0.000 0.295 315 A C -0.732 176.298 177.584 -0.923 0.000 1.067 315 A CA -0.039 51.780 52.037 -0.363 0.000 0.683 315 A CB 1.769 20.588 19.000 -0.300 0.000 1.281 315 A HN 1.547 nan 8.150 nan 0.000 0.407 316 G N 0.037 107.766 108.800 -1.786 0.000 2.490 316 G HA2 0.757 4.737 3.960 0.033 0.000 0.308 316 G HA3 0.757 4.737 3.960 0.033 0.000 0.308 316 G C -1.546 172.399 174.900 -1.591 0.000 1.286 316 G CA 0.025 44.046 45.100 -1.798 0.000 0.825 316 G HN 1.565 nan 8.290 nan 0.000 0.479 317 K N -1.636 118.400 120.400 -0.607 0.000 2.555 317 K HA 0.865 5.204 4.320 0.033 0.000 0.279 317 K C -1.232 175.487 176.600 0.199 0.000 0.986 317 K CA -0.925 55.233 56.287 -0.214 0.000 0.880 317 K CB 1.646 34.134 32.500 -0.019 0.000 1.474 317 K HN 1.301 nan 8.250 nan 0.000 0.433 318 F N -1.111 118.887 119.950 0.080 0.000 2.643 318 F HA 0.818 5.364 4.527 0.033 0.000 0.314 318 F C -1.734 174.259 175.800 0.322 0.000 1.096 318 F CA -1.392 56.732 58.000 0.207 0.000 0.953 318 F CB 1.596 40.691 39.000 0.158 0.000 1.345 318 F HN 0.410 nan 8.300 nan 0.000 0.468 319 F N 2.390 122.609 119.950 0.448 0.000 2.536 319 F HA 0.561 5.107 4.527 0.033 0.000 0.322 319 F C -0.088 175.958 175.800 0.409 0.000 1.144 319 F CA -1.142 57.075 58.000 0.362 0.000 0.924 319 F CB 1.408 40.584 39.000 0.295 0.000 1.181 319 F HN 0.897 nan 8.300 nan 0.000 0.438 320 T N 1.893 116.540 114.554 0.155 0.000 2.856 320 T HA 0.130 4.500 4.350 0.033 0.000 0.306 320 T C 1.043 175.667 174.700 -0.127 0.000 1.062 320 T CA -0.536 61.627 62.100 0.104 0.000 1.083 320 T CB 0.651 69.615 68.868 0.159 0.000 0.984 320 T HN 0.569 nan 8.240 nan 0.000 0.542 321 N N 1.990 120.707 118.700 0.028 0.000 2.309 321 N HA -0.105 4.655 4.740 0.033 0.000 0.182 321 N C 1.356 176.828 175.510 -0.064 0.000 1.018 321 N CA 0.990 54.062 53.050 0.036 0.000 0.876 321 N CB -0.418 38.127 38.487 0.098 0.000 0.972 321 N HN 0.834 nan 8.380 nan 0.000 0.434 322 N N 0.926 119.586 118.700 -0.067 0.000 2.268 322 N HA 0.008 4.768 4.740 0.033 0.000 0.204 322 N C -0.387 175.055 175.510 -0.114 0.000 1.124 322 N CA 0.056 53.069 53.050 -0.061 0.000 0.838 322 N CB 0.054 38.538 38.487 -0.005 0.000 0.994 322 N HN 0.050 nan 8.380 nan 0.000 0.489 323 K N -0.567 119.649 120.400 -0.307 0.000 3.209 323 K HA -0.182 4.158 4.320 0.033 0.000 0.289 323 K C 0.594 177.173 176.600 -0.035 0.000 1.191 323 K CA 0.938 56.988 56.287 -0.394 0.000 0.851 323 K CB -2.106 30.297 32.500 -0.161 0.000 1.242 323 K HN 0.535 nan 8.250 nan 0.000 0.480 324 S N -0.363 115.333 115.700 -0.007 0.000 2.496 324 S HA 0.157 4.647 4.470 0.033 0.000 0.224 324 S C 0.436 175.087 174.600 0.085 0.000 0.996 324 S CA 0.066 58.307 58.200 0.070 0.000 0.927 324 S CB 0.265 63.486 63.200 0.036 0.000 0.774 324 S HN 0.307 nan 8.310 nan 0.000 0.524 325 L N 0.311 121.633 121.223 0.165 0.000 2.565 325 L HA 0.611 4.971 4.340 0.033 0.000 0.261 325 L C -1.937 175.190 176.870 0.429 0.000 0.932 325 L CA -0.734 54.239 54.840 0.221 0.000 0.878 325 L CB 2.086 44.215 42.059 0.116 0.000 1.333 325 L HN 0.227 nan 8.230 nan 0.000 0.409 326 F N 4.893 124.983 119.950 0.233 0.000 2.426 326 F HA 0.873 5.420 4.527 0.033 0.000 0.348 326 F C -0.339 175.483 175.800 0.036 0.000 1.124 326 F CA -0.304 57.785 58.000 0.148 0.000 1.008 326 F CB 1.323 40.359 39.000 0.060 0.000 1.139 326 F HN 0.602 nan 8.300 nan 0.000 0.452 327 A N 5.559 127.871 122.820 -0.846 0.000 2.413 327 A HA 0.860 5.200 4.320 0.033 0.000 0.307 327 A C -1.313 175.822 177.584 -0.748 0.000 1.087 327 A CA -0.289 51.342 52.037 -0.677 0.000 0.750 327 A CB 1.532 19.987 19.000 -0.909 0.000 1.296 327 A HN 1.276 nan 8.150 nan 0.000 0.423 328 V N -1.100 118.655 119.914 -0.265 0.000 3.102 328 V HA 1.021 5.161 4.120 0.033 0.000 0.312 328 V C -0.808 175.377 176.094 0.151 0.000 1.135 328 V CA -1.034 61.145 62.300 -0.203 0.000 1.022 328 V CB 1.363 33.103 31.823 -0.139 0.000 1.056 328 V HN 1.535 nan 8.190 nan 0.000 0.436 329 F N -0.670 119.320 119.950 0.068 0.000 2.693 329 F HA 1.040 5.586 4.527 0.032 0.000 0.309 329 F C -0.570 175.280 175.800 0.084 0.000 1.129 329 F CA -0.682 57.441 58.000 0.204 0.000 0.948 329 F CB 1.187 40.405 39.000 0.364 0.000 1.315 329 F HN 1.130 nan 8.300 nan 0.000 0.447 330 A N 1.172 124.227 122.820 0.391 0.000 2.566 330 A HA 0.993 5.333 4.320 0.033 0.000 0.297 330 A C -1.600 176.200 177.584 0.360 0.000 1.059 330 A CA -0.179 52.008 52.037 0.250 0.000 0.691 330 A CB 1.284 20.380 19.000 0.160 0.000 1.282 330 A HN 2.328 nan 8.150 nan 0.000 0.401 331 A N 1.459 124.480 122.820 0.335 0.000 2.612 331 A HA 0.865 5.205 4.320 0.033 0.000 0.293 331 A C -0.938 176.923 177.584 0.463 0.000 1.075 331 A CA -0.231 52.054 52.037 0.414 0.000 0.680 331 A CB 1.362 20.693 19.000 0.552 0.000 1.279 331 A HN 1.579 nan 8.150 nan 0.000 0.411 332 K N -0.202 120.468 120.400 0.450 0.000 2.435 332 K HA 0.798 5.138 4.320 0.033 0.000 0.251 332 K C -0.242 176.495 176.600 0.228 0.000 0.954 332 K CA -0.158 56.389 56.287 0.433 0.000 0.820 332 K CB 2.029 34.707 32.500 0.296 0.000 1.292 332 K HN 0.944 nan 8.250 nan 0.000 0.436 333 S N -0.094 115.564 115.700 -0.070 0.000 2.693 333 S HA 0.106 4.596 4.470 0.033 0.000 0.276 333 S C 0.955 175.504 174.600 -0.084 0.000 1.192 333 S CA -0.406 57.590 58.200 -0.342 0.000 0.994 333 S CB 1.168 63.902 63.200 -0.776 0.000 1.012 333 S HN 0.834 nan 8.310 nan 0.000 0.550 334 E N 1.501 121.661 120.200 -0.067 0.000 2.017 334 E HA -0.100 4.270 4.350 0.033 0.000 0.193 334 E C 0.573 177.181 176.600 0.012 0.000 0.997 334 E CA 1.452 57.848 56.400 -0.006 0.000 0.804 334 E CB -0.528 29.171 29.700 -0.002 0.000 0.757 334 E HN 0.826 nan 8.360 nan 0.000 0.448 335 N N -0.407 118.293 118.700 0.001 0.000 3.546 335 N HA 0.355 5.114 4.740 0.033 0.000 0.362 335 N C -1.088 174.425 175.510 0.004 0.000 1.477 335 N CA -0.243 52.818 53.050 0.019 0.000 0.841 335 N CB 0.888 39.397 38.487 0.037 0.000 2.283 335 N HN 0.341 nan 8.380 nan 0.000 0.497 336 G N -1.113 107.696 108.800 0.015 0.000 2.146 336 G HA2 0.407 4.387 3.960 0.033 0.000 0.261 336 G HA3 0.407 4.387 3.960 0.033 0.000 0.261 336 G C -0.961 173.945 174.900 0.010 0.000 1.745 336 G CA -0.112 44.990 45.100 0.003 0.000 0.905 336 G HN 0.840 nan 8.290 nan 0.000 0.746 337 E N -1.260 118.945 120.200 0.007 0.000 2.971 337 E HA -0.204 4.166 4.350 0.033 0.000 0.271 337 E C 0.464 177.060 176.600 -0.007 0.000 1.053 337 E CA 1.908 58.310 56.400 0.003 0.000 0.817 337 E CB -1.761 27.944 29.700 0.008 0.000 1.410 337 E HN 1.113 nan 8.360 nan 0.000 0.445 338 T N -0.150 114.393 114.554 -0.018 0.000 2.841 338 T HA 0.363 4.733 4.350 0.033 0.000 0.283 338 T C -0.257 174.418 174.700 -0.043 0.000 1.000 338 T CA -0.209 61.871 62.100 -0.033 0.000 0.977 338 T CB 1.356 70.193 68.868 -0.051 0.000 0.979 338 T HN -0.032 nan 8.240 nan 0.000 0.446 339 T N 4.517 119.046 114.554 -0.042 0.000 2.853 339 T HA 0.433 4.803 4.350 0.033 0.000 0.298 339 T C 0.519 175.172 174.700 -0.078 0.000 0.978 339 T CA -0.189 61.883 62.100 -0.046 0.000 1.152 339 T CB 0.216 69.064 68.868 -0.033 0.000 0.914 339 T HN 0.838 nan 8.240 nan 0.000 0.539 340 T N 0.736 115.241 114.554 -0.081 0.000 2.930 340 T HA 0.666 5.036 4.350 0.033 0.000 0.290 340 T C -0.849 173.798 174.700 -0.089 0.000 1.052 340 T CA -1.095 60.935 62.100 -0.117 0.000 1.017 340 T CB 2.226 71.019 68.868 -0.124 0.000 1.137 340 T HN 0.573 nan 8.240 nan 0.000 0.511 341 E N 0.541 120.679 120.200 -0.103 0.000 2.224 341 E HA 0.401 4.771 4.350 0.033 0.000 0.265 341 E C -0.535 176.028 176.600 -0.061 0.000 0.878 341 E CA -0.891 55.469 56.400 -0.067 0.000 0.759 341 E CB 1.680 31.347 29.700 -0.056 0.000 1.164 341 E HN 0.644 nan 8.360 nan 0.000 0.414 342 R N 4.237 124.715 120.500 -0.036 0.000 2.442 342 R HA 0.154 4.514 4.340 0.033 0.000 0.291 342 R C 0.995 177.296 176.300 0.001 0.000 1.069 342 R CA 0.346 56.433 56.100 -0.022 0.000 1.022 342 R CB 0.379 30.671 30.300 -0.013 0.000 0.976 342 R HN 0.731 nan 8.270 nan 0.000 0.443 343 I N 1.315 121.892 120.570 0.012 0.000 4.032 343 I HA 0.309 4.499 4.170 0.033 0.000 0.313 343 I C 0.020 176.184 176.117 0.079 0.000 1.272 343 I CA -0.071 61.256 61.300 0.045 0.000 1.307 343 I CB 0.513 38.538 38.000 0.042 0.000 1.155 343 I HN 0.317 nan 8.210 nan 0.000 0.431 344 I N 1.721 122.329 120.570 0.063 0.000 2.619 344 I HA 0.421 4.611 4.170 0.033 0.000 0.292 344 I C -1.484 174.669 176.117 0.060 0.000 1.100 344 I CA -0.594 60.745 61.300 0.065 0.000 1.043 344 I CB 2.372 40.388 38.000 0.028 0.000 1.239 344 I HN -0.029 nan 8.210 nan 0.000 0.420 345 D N 5.161 125.606 120.400 0.076 0.000 2.256 345 D HA 0.703 5.363 4.640 0.033 0.000 0.246 345 D C -0.765 175.524 176.300 -0.018 0.000 1.042 345 D CA -0.208 53.815 54.000 0.038 0.000 0.841 345 D CB 2.427 43.285 40.800 0.096 0.000 1.223 345 D HN 0.622 nan 8.370 nan 0.000 0.470 346 A N 1.727 124.532 122.820 -0.024 0.000 2.604 346 A HA 0.518 4.858 4.320 0.033 0.000 0.285 346 A C -0.660 176.910 177.584 -0.023 0.000 1.095 346 A CA -0.586 51.432 52.037 -0.032 0.000 0.842 346 A CB 0.931 19.891 19.000 -0.068 0.000 1.385 346 A HN 0.312 nan 8.150 nan 0.000 0.404 347 T N 1.452 116.007 114.554 0.001 0.000 2.893 347 T HA 0.592 4.962 4.350 0.033 0.000 0.291 347 T C -0.579 174.136 174.700 0.025 0.000 1.028 347 T CA -0.582 61.517 62.100 -0.002 0.000 0.995 347 T CB 1.918 70.779 68.868 -0.012 0.000 1.051 347 T HN 0.609 nan 8.240 nan 0.000 0.470 348 K N 2.553 122.950 120.400 -0.004 0.000 2.376 348 K HA 0.616 4.956 4.320 0.033 0.000 0.257 348 K C -1.255 175.310 176.600 -0.058 0.000 0.939 348 K CA -0.674 55.615 56.287 0.003 0.000 0.809 348 K CB 1.003 33.496 32.500 -0.013 0.000 1.121 348 K HN 0.541 nan 8.250 nan 0.000 0.425 349 I N 3.583 124.112 120.570 -0.069 0.000 2.330 349 I HA 0.095 4.284 4.170 0.033 0.000 0.289 349 I C -0.088 175.935 176.117 -0.157 0.000 1.001 349 I CA -0.791 60.420 61.300 -0.148 0.000 1.193 349 I CB 1.361 39.284 38.000 -0.128 0.000 1.345 349 I HN 0.646 nan 8.210 nan 0.000 0.461 350 D N 6.579 126.861 120.400 -0.196 0.000 2.424 350 D HA 0.085 4.745 4.640 0.033 0.000 0.244 350 D C 0.352 176.385 176.300 -0.445 0.000 1.134 350 D CA 0.260 54.123 54.000 -0.228 0.000 0.881 350 D CB 1.383 42.077 40.800 -0.178 0.000 1.191 350 D HN 0.439 nan 8.370 nan 0.000 0.445 351 L N 3.298 124.265 121.223 -0.428 0.000 2.848 351 L HA 0.087 4.447 4.340 0.033 0.000 0.240 351 L C 1.272 177.769 176.870 -0.621 0.000 1.232 351 L CA 0.065 54.508 54.840 -0.663 0.000 1.031 351 L CB -0.142 41.724 42.059 -0.321 0.000 1.338 351 L HN 0.475 nan 8.230 nan 0.000 0.509 352 T N -5.451 108.799 114.554 -0.505 0.000 3.174 352 T HA 0.019 4.389 4.350 0.033 0.000 0.252 352 T C 1.542 176.214 174.700 -0.047 0.000 0.984 352 T CA -0.142 61.837 62.100 -0.203 0.000 1.113 352 T CB 0.320 69.142 68.868 -0.077 0.000 1.088 352 T HN -0.056 nan 8.240 nan 0.000 0.442 353 Q N 0.163 119.916 119.800 -0.078 0.000 2.376 353 Q HA 0.460 4.820 4.340 0.033 0.000 0.206 353 Q C -0.066 176.107 176.000 0.289 0.000 0.921 353 Q CA -0.053 55.822 55.803 0.121 0.000 0.911 353 Q CB -0.604 28.158 28.738 0.040 0.000 1.032 353 Q HN 0.598 nan 8.270 nan 0.000 0.510 354 F N 0.972 120.919 119.950 -0.006 0.000 3.093 354 F HA -0.301 4.245 4.527 0.032 0.000 0.287 354 F C 0.035 175.788 175.800 -0.078 0.000 0.882 354 F CA 0.591 58.585 58.000 -0.010 0.000 1.063 354 F CB -2.258 36.784 39.000 0.069 0.000 1.097 354 F HN 0.189 nan 8.300 nan 0.000 0.604 355 N N 1.316 119.996 118.700 -0.034 0.000 2.477 355 N HA 0.802 5.562 4.740 0.033 0.000 0.284 355 N C -0.438 174.904 175.510 -0.281 0.000 1.182 355 N CA -0.101 52.868 53.050 -0.136 0.000 0.949 355 N CB 2.073 40.544 38.487 -0.026 0.000 1.204 355 N HN 0.177 nan 8.380 nan 0.000 0.526 356 A N 0.421 123.054 122.820 -0.313 0.000 2.350 356 A HA 0.652 4.992 4.320 0.033 0.000 0.324 356 A C -0.475 177.055 177.584 -0.091 0.000 1.118 356 A CA -0.772 51.128 52.037 -0.229 0.000 0.783 356 A CB 1.115 19.956 19.000 -0.266 0.000 1.236 356 A HN 0.594 nan 8.150 nan 0.000 0.457 357 K N 1.491 121.852 120.400 -0.065 0.000 2.375 357 K HA 0.369 4.708 4.320 0.033 0.000 0.249 357 K C -0.706 175.877 176.600 -0.027 0.000 0.942 357 K CA -0.762 55.506 56.287 -0.032 0.000 0.806 357 K CB 1.833 34.315 32.500 -0.029 0.000 1.227 357 K HN 0.774 nan 8.250 nan 0.000 0.430 358 E N 1.734 121.925 120.200 -0.015 0.000 2.422 358 E HA 0.129 4.499 4.350 0.033 0.000 0.260 358 E C 0.024 176.602 176.600 -0.038 0.000 1.108 358 E CA 0.100 56.487 56.400 -0.021 0.000 0.943 358 E CB 0.576 30.270 29.700 -0.010 0.000 0.961 358 E HN 0.335 nan 8.360 nan 0.000 0.443 359 L N 1.892 123.081 121.223 -0.056 0.000 2.333 359 L HA 0.300 4.660 4.340 0.033 0.000 0.269 359 L C 0.289 177.085 176.870 -0.124 0.000 1.010 359 L CA -1.074 53.712 54.840 -0.090 0.000 0.818 359 L CB 1.234 43.230 42.059 -0.105 0.000 1.306 359 L HN 0.224 nan 8.230 nan 0.000 0.430 360 N N 2.782 121.384 118.700 -0.164 0.000 2.475 360 N HA 0.136 4.896 4.740 0.033 0.000 0.267 360 N C -0.911 174.362 175.510 -0.395 0.000 1.169 360 N CA 0.222 53.114 53.050 -0.262 0.000 0.947 360 N CB 0.540 38.870 38.487 -0.261 0.000 1.061 360 N HN 0.543 nan 8.380 nan 0.000 0.466 361 N N 1.812 120.235 118.700 -0.462 0.000 2.308 361 N HA 0.239 4.999 4.740 0.033 0.000 0.283 361 N C -0.829 174.412 175.510 -0.448 0.000 1.105 361 N CA -0.328 52.449 53.050 -0.454 0.000 0.840 361 N CB 0.841 39.203 38.487 -0.208 0.000 1.633 361 N HN 0.125 nan 8.380 nan 0.000 0.476 362 F N 0.794 120.732 119.950 -0.020 0.000 2.695 362 F HA 0.377 4.923 4.527 0.032 0.000 0.303 362 F C 1.738 177.539 175.800 0.002 0.000 1.091 362 F CA 0.322 58.311 58.000 -0.018 0.000 1.300 362 F CB 0.508 39.494 39.000 -0.024 0.000 1.071 362 F HN 0.792 nan 8.300 nan 0.000 0.578 363 G N -0.016 108.858 108.800 0.123 0.000 2.183 363 G HA2 -0.189 3.790 3.960 0.033 0.000 0.168 363 G HA3 -0.189 3.790 3.960 0.033 0.000 0.168 363 G C -0.564 174.389 174.900 0.089 0.000 1.008 363 G CA -0.240 44.923 45.100 0.105 0.000 0.677 363 G HN 0.242 nan 8.290 nan 0.000 0.498 364 D N 0.605 121.047 120.400 0.070 0.000 2.453 364 D HA 0.699 5.359 4.640 0.033 0.000 0.238 364 D C 1.218 177.514 176.300 -0.006 0.000 1.088 364 D CA 0.261 54.284 54.000 0.039 0.000 0.854 364 D CB 0.943 41.769 40.800 0.043 0.000 1.076 364 D HN 0.331 nan 8.370 nan 0.000 0.533 365 A N 2.500 125.309 122.820 -0.017 0.000 2.168 365 A HA -0.030 4.309 4.320 0.033 0.000 0.215 365 A C 1.667 179.221 177.584 -0.051 0.000 1.152 365 A CA 0.627 52.634 52.037 -0.049 0.000 0.716 365 A CB 0.100 19.050 19.000 -0.082 0.000 0.794 365 A HN 0.427 nan 8.150 nan 0.000 0.465 366 S N -0.603 115.064 115.700 -0.055 0.000 2.605 366 S HA 0.274 4.764 4.470 0.033 0.000 0.217 366 S C 0.305 174.859 174.600 -0.077 0.000 0.958 366 S CA 0.405 58.566 58.200 -0.066 0.000 0.919 366 S CB -0.295 62.858 63.200 -0.077 0.000 0.780 366 S HN 0.664 nan 8.310 nan 0.000 0.507 367 V N -0.700 119.165 119.914 -0.082 0.000 2.656 367 V HA 0.616 4.756 4.120 0.033 0.000 0.307 367 V C -0.694 175.302 176.094 -0.163 0.000 1.051 367 V CA -1.016 61.219 62.300 -0.108 0.000 0.893 367 V CB 1.531 33.315 31.823 -0.066 0.000 0.999 367 V HN 0.107 nan 8.190 nan 0.000 0.426 368 L N 5.296 126.383 121.223 -0.227 0.000 2.292 368 L HA 0.544 4.903 4.340 0.033 0.000 0.284 368 L C -0.440 176.289 176.870 -0.236 0.000 1.065 368 L CA -0.595 54.066 54.840 -0.297 0.000 0.806 368 L CB 1.528 43.329 42.059 -0.431 0.000 1.175 368 L HN 0.568 nan 8.230 nan 0.000 0.431 369 I N 5.735 126.167 120.570 -0.231 0.000 2.312 369 I HA 0.380 4.570 4.170 0.033 0.000 0.290 369 I C -0.117 175.870 176.117 -0.216 0.000 1.008 369 I CA -0.143 61.038 61.300 -0.200 0.000 1.226 369 I CB 1.128 39.003 38.000 -0.208 0.000 1.371 369 I HN 0.466 nan 8.210 nan 0.000 0.468 370 I N 5.537 125.967 120.570 -0.233 0.000 2.478 370 I HA 0.240 4.430 4.170 0.033 0.000 0.287 370 I C -0.437 175.476 176.117 -0.340 0.000 1.042 370 I CA -0.499 60.653 61.300 -0.247 0.000 1.067 370 I CB 1.776 39.636 38.000 -0.232 0.000 1.233 370 I HN 0.463 nan 8.210 nan 0.000 0.431 371 D N 5.182 125.363 120.400 -0.365 0.000 2.751 371 D HA -0.194 4.466 4.640 0.033 0.000 0.233 371 D C 1.168 176.700 176.300 -1.280 0.000 1.149 371 D CA 1.862 55.443 54.000 -0.698 0.000 0.682 371 D CB -0.854 39.616 40.800 -0.551 0.000 1.068 371 D HN 1.155 nan 8.370 nan 0.000 0.429 372 G N -1.069 107.316 108.800 -0.690 0.000 2.205 372 G HA2 -0.379 3.601 3.960 0.033 0.000 0.261 372 G HA3 -0.379 3.601 3.960 0.033 0.000 0.261 372 G C 0.288 174.959 174.900 -0.382 0.000 0.980 372 G CA 0.629 45.434 45.100 -0.492 0.000 0.632 372 G HN 0.513 nan 8.290 nan 0.000 0.533 373 Q N 0.787 120.335 119.800 -0.421 0.000 2.257 373 Q HA 0.627 4.987 4.340 0.033 0.000 0.255 373 Q C 0.021 175.908 176.000 -0.188 0.000 0.920 373 Q CA -0.182 55.455 55.803 -0.276 0.000 0.927 373 Q CB 0.662 29.226 28.738 -0.290 0.000 1.229 373 Q HN 0.388 nan 8.270 nan 0.000 0.433 374 K N 3.796 124.121 120.400 -0.126 0.000 2.262 374 K HA 0.356 4.696 4.320 0.033 0.000 0.282 374 K C -0.561 175.966 176.600 -0.121 0.000 1.066 374 K CA -0.106 56.120 56.287 -0.100 0.000 0.901 374 K CB 0.737 33.211 32.500 -0.043 0.000 1.089 374 K HN 0.560 nan 8.250 nan 0.000 0.476 375 I N 3.604 124.084 120.570 -0.151 0.000 2.301 375 I HA 0.052 4.242 4.170 0.033 0.000 0.292 375 I C 0.018 176.050 176.117 -0.142 0.000 1.046 375 I CA -0.580 60.625 61.300 -0.158 0.000 1.282 375 I CB 0.610 38.488 38.000 -0.204 0.000 1.409 375 I HN 0.430 nan 8.210 nan 0.000 0.484 376 D N 7.460 127.793 120.400 -0.112 0.000 2.417 376 D HA 0.090 4.750 4.640 0.033 0.000 0.250 376 D C 0.906 177.144 176.300 -0.104 0.000 1.166 376 D CA 0.172 54.115 54.000 -0.095 0.000 0.881 376 D CB 2.146 42.901 40.800 -0.075 0.000 1.164 376 D HN 0.518 nan 8.370 nan 0.000 0.467 377 L N 1.231 122.394 121.223 -0.100 0.000 2.585 377 L HA 0.159 4.519 4.340 0.033 0.000 0.226 377 L C 1.215 178.032 176.870 -0.087 0.000 1.113 377 L CA -0.002 54.782 54.840 -0.094 0.000 0.876 377 L CB 0.087 42.101 42.059 -0.076 0.000 1.072 377 L HN 0.291 nan 8.230 nan 0.000 0.468 378 A N 0.160 122.930 122.820 -0.083 0.000 2.313 378 A HA 0.669 5.008 4.320 0.033 0.000 0.261 378 A C 0.384 177.925 177.584 -0.071 0.000 1.090 378 A CA 0.467 52.455 52.037 -0.082 0.000 0.807 378 A CB 0.478 19.434 19.000 -0.074 0.000 1.055 378 A HN 0.240 nan 8.150 nan 0.000 0.492 379 G N -2.005 106.755 108.800 -0.066 0.000 2.550 379 G HA2 0.525 4.505 3.960 0.033 0.000 0.293 379 G HA3 0.525 4.505 3.960 0.033 0.000 0.293 379 G C 0.329 175.209 174.900 -0.033 0.000 1.402 379 G CA 0.219 45.289 45.100 -0.049 0.000 0.784 379 G HN 1.671 nan 8.290 nan 0.000 0.482 380 V N -2.137 117.766 119.914 -0.018 0.000 2.871 380 V HA 0.152 4.292 4.120 0.033 0.000 0.256 380 V C 0.699 176.803 176.094 0.017 0.000 1.082 380 V CA 0.891 63.190 62.300 -0.001 0.000 1.105 380 V CB -0.791 31.033 31.823 0.002 0.000 0.713 380 V HN 0.416 nan 8.190 nan 0.000 0.473 381 N N -0.228 118.482 118.700 0.017 0.000 2.447 381 N HA 0.313 5.073 4.740 0.033 0.000 0.271 381 N C 0.400 175.955 175.510 0.075 0.000 1.226 381 N CA -0.197 52.887 53.050 0.057 0.000 0.980 381 N CB 0.875 39.395 38.487 0.055 0.000 1.206 381 N HN 0.234 nan 8.380 nan 0.000 0.558 382 F N 0.981 120.928 119.950 -0.006 0.000 2.069 382 F HA -0.107 4.439 4.527 0.032 0.000 0.298 382 F C 0.903 176.685 175.800 -0.030 0.000 1.113 382 F CA 1.384 59.381 58.000 -0.005 0.000 1.214 382 F CB 0.158 39.166 39.000 0.013 0.000 0.978 382 F HN 0.445 nan 8.300 nan 0.000 0.474 383 K N 0.611 120.973 120.400 -0.063 0.000 2.375 383 K HA 0.394 4.734 4.320 0.033 0.000 0.249 383 K C -1.498 175.061 176.600 -0.068 0.000 0.942 383 K CA -0.841 55.334 56.287 -0.188 0.000 0.806 383 K CB 1.692 34.093 32.500 -0.165 0.000 1.227 383 K HN 0.044 nan 8.250 nan 0.000 0.430 384 N N 1.051 119.694 118.700 -0.094 0.000 2.249 384 N HA 0.128 4.888 4.740 0.033 0.000 0.296 384 N C -1.581 173.895 175.510 -0.057 0.000 1.051 384 N CA -0.723 52.292 53.050 -0.058 0.000 0.815 384 N CB 2.255 40.703 38.487 -0.066 0.000 1.487 384 N HN 0.656 nan 8.380 nan 0.000 0.475 385 S N 1.266 116.940 115.700 -0.045 0.000 2.508 385 S HA 0.397 4.886 4.470 0.033 0.000 0.284 385 S C -0.789 173.757 174.600 -0.090 0.000 1.192 385 S CA -0.550 57.613 58.200 -0.062 0.000 1.070 385 S CB 0.297 63.476 63.200 -0.035 0.000 1.004 385 S HN 0.250 nan 8.310 nan 0.000 0.493 386 K N 3.268 123.589 120.400 -0.132 0.000 2.345 386 K HA 0.463 4.803 4.320 0.033 0.000 0.255 386 K C -1.041 175.445 176.600 -0.190 0.000 0.934 386 K CA -0.634 55.567 56.287 -0.143 0.000 0.801 386 K CB 1.803 34.215 32.500 -0.145 0.000 1.137 386 K HN 0.570 nan 8.250 nan 0.000 0.424 387 T N 1.103 115.561 114.554 -0.159 0.000 2.812 387 T HA 0.421 4.791 4.350 0.033 0.000 0.282 387 T C -1.137 173.476 174.700 -0.145 0.000 0.990 387 T CA -0.662 61.334 62.100 -0.172 0.000 0.960 387 T CB 1.453 70.241 68.868 -0.134 0.000 0.948 387 T HN 0.310 nan 8.240 nan 0.000 0.438 388 V N 3.430 123.247 119.914 -0.161 0.000 2.711 388 V HA 0.494 4.634 4.120 0.033 0.000 0.304 388 V C -1.440 174.574 176.094 -0.133 0.000 1.097 388 V CA -0.879 61.338 62.300 -0.139 0.000 0.906 388 V CB 2.130 33.862 31.823 -0.152 0.000 1.015 388 V HN 0.845 nan 8.190 nan 0.000 0.427 389 E N 6.358 126.494 120.200 -0.107 0.000 2.129 389 E HA 0.459 4.829 4.350 0.033 0.000 0.283 389 E C -0.493 176.043 176.600 -0.106 0.000 1.080 389 E CA 0.240 56.583 56.400 -0.095 0.000 0.867 389 E CB 1.001 30.659 29.700 -0.071 0.000 1.056 389 E HN 0.594 nan 8.360 nan 0.000 0.404 390 I N 4.311 124.809 120.570 -0.120 0.000 2.330 390 I HA 0.116 4.306 4.170 0.033 0.000 0.289 390 I C 0.500 176.549 176.117 -0.113 0.000 1.001 390 I CA -0.569 60.645 61.300 -0.144 0.000 1.193 390 I CB 0.918 38.807 38.000 -0.186 0.000 1.345 390 I HN 0.523 nan 8.210 nan 0.000 0.461 391 N N 4.767 123.409 118.700 -0.096 0.000 1.973 391 N HA -0.303 4.457 4.740 0.033 0.000 0.147 391 N C 1.532 177.024 175.510 -0.029 0.000 0.310 391 N CA 2.475 55.502 53.050 -0.038 0.000 1.408 391 N CB -1.337 37.153 38.487 0.004 0.000 1.306 391 N HN 0.809 nan 8.380 nan 0.000 0.413 392 G N 0.920 109.705 108.800 -0.025 0.000 2.433 392 G HA2 -0.058 3.922 3.960 0.033 0.000 0.216 392 G HA3 -0.058 3.922 3.960 0.033 0.000 0.216 392 G C 0.322 175.203 174.900 -0.033 0.000 1.186 392 G CA 2.138 47.225 45.100 -0.021 0.000 0.779 392 G HN 0.661 nan 8.290 nan 0.000 0.543 393 K N -1.232 119.139 120.400 -0.048 0.000 2.439 393 K HA 0.643 4.983 4.320 0.033 0.000 0.260 393 K C -1.068 175.489 176.600 -0.071 0.000 1.032 393 K CA -0.811 55.447 56.287 -0.050 0.000 0.882 393 K CB 0.333 32.809 32.500 -0.040 0.000 1.420 393 K HN -0.130 nan 8.250 nan 0.000 0.455 394 T N 2.069 116.582 114.554 -0.068 0.000 2.743 394 T HA 0.440 4.810 4.350 0.033 0.000 0.293 394 T C -0.306 174.315 174.700 -0.132 0.000 0.945 394 T CA -0.590 61.455 62.100 -0.092 0.000 1.030 394 T CB 0.042 68.868 68.868 -0.071 0.000 0.912 394 T HN 0.265 nan 8.240 nan 0.000 0.483 395 M N 3.374 122.866 119.600 -0.179 0.000 2.508 395 M HA 0.594 5.094 4.480 0.033 0.000 0.327 395 M C -0.370 175.718 176.300 -0.353 0.000 1.160 395 M CA -1.247 53.901 55.300 -0.253 0.000 0.980 395 M CB 1.589 34.051 32.600 -0.229 0.000 1.693 395 M HN 0.382 nan 8.290 nan 0.000 0.452 396 V N 1.690 121.259 119.914 -0.573 0.000 2.638 396 V HA 0.944 5.084 4.120 0.033 0.000 0.306 396 V C -1.458 174.192 176.094 -0.740 0.000 1.052 396 V CA -0.383 61.494 62.300 -0.706 0.000 0.885 396 V CB 1.625 32.901 31.823 -0.912 0.000 0.999 396 V HN 1.031 nan 8.190 nan 0.000 0.424 397 A N 5.594 128.149 122.820 -0.441 0.000 2.371 397 A HA 0.861 5.201 4.320 0.033 0.000 0.311 397 A C -1.177 176.337 177.584 -0.116 0.000 1.068 397 A CA -0.579 51.316 52.037 -0.236 0.000 0.744 397 A CB 2.114 20.983 19.000 -0.219 0.000 1.239 397 A HN 1.204 nan 8.150 nan 0.000 0.435 398 V N 2.137 122.069 119.914 0.030 0.000 2.326 398 V HA 0.623 4.763 4.120 0.033 0.000 0.281 398 V C 0.407 176.506 176.094 0.008 0.000 1.015 398 V CA -0.192 62.121 62.300 0.021 0.000 0.823 398 V CB 0.873 32.737 31.823 0.069 0.000 1.009 398 V HN 1.166 nan 8.190 nan 0.000 0.436 399 A N 3.973 126.773 122.820 -0.034 0.000 2.317 399 A HA 0.768 5.108 4.320 0.033 0.000 0.327 399 A C -0.479 176.912 177.584 -0.321 0.000 1.178 399 A CA -0.395 51.584 52.037 -0.098 0.000 0.817 399 A CB 1.424 20.458 19.000 0.057 0.000 1.189 399 A HN 0.827 nan 8.150 nan 0.000 0.489 400 C N 1.694 120.633 119.300 -0.603 0.000 2.561 400 C HA 0.848 5.328 4.460 0.033 0.000 0.319 400 C C -0.191 174.375 174.990 -0.706 0.000 1.198 400 C CA -0.342 58.205 59.018 -0.786 0.000 1.665 400 C CB 0.093 27.195 27.740 -1.064 0.000 2.258 400 C HN 0.994 nan 8.230 nan 0.000 0.493 401 C N 1.785 120.778 119.300 -0.512 0.000 3.154 401 C HA 0.550 5.030 4.460 0.033 0.000 0.312 401 C C 1.626 176.369 174.990 -0.411 0.000 1.349 401 C CA -0.183 58.406 59.018 -0.715 0.000 1.518 401 C CB 1.318 28.463 27.740 -0.992 0.000 1.934 401 C HN 0.973 nan 8.230 nan 0.000 0.462 402 S N 1.403 116.865 115.700 -0.396 0.000 2.419 402 S HA -0.188 4.302 4.470 0.033 0.000 0.233 402 S C 1.101 175.677 174.600 -0.040 0.000 1.016 402 S CA 1.949 60.065 58.200 -0.140 0.000 0.974 402 S CB -0.591 62.588 63.200 -0.035 0.000 0.786 402 S HN 0.895 nan 8.310 nan 0.000 0.492 403 N N 1.443 120.150 118.700 0.011 0.000 2.398 403 N HA 0.090 4.850 4.740 0.033 0.000 0.188 403 N C -0.015 175.542 175.510 0.079 0.000 1.122 403 N CA 0.012 53.115 53.050 0.088 0.000 0.866 403 N CB -0.471 38.125 38.487 0.182 0.000 0.970 403 N HN 0.451 nan 8.380 nan 0.000 0.462 404 L N 0.822 122.062 121.223 0.029 0.000 2.262 404 L HA 0.315 4.675 4.340 0.033 0.000 0.288 404 L C 0.957 177.820 176.870 -0.012 0.000 1.035 404 L CA -0.394 54.484 54.840 0.063 0.000 0.820 404 L CB 1.823 43.932 42.059 0.085 0.000 1.204 404 L HN -0.067 nan 8.230 nan 0.000 0.424 405 E N 1.780 121.970 120.200 -0.018 0.000 2.276 405 E HA -0.029 4.341 4.350 0.033 0.000 0.193 405 E C 0.416 176.739 176.600 -0.460 0.000 0.983 405 E CA 1.084 57.319 56.400 -0.274 0.000 0.861 405 E CB 0.309 29.770 29.700 -0.398 0.000 0.817 405 E HN 0.577 nan 8.360 nan 0.000 0.485 406 Y N -0.523 119.805 120.300 0.046 0.000 2.612 406 Y HA 0.368 4.966 4.550 0.081 0.000 0.250 406 Y C 0.109 175.974 175.900 -0.059 0.000 1.175 406 Y CA -0.461 57.662 58.100 0.038 0.000 1.205 406 Y CB 0.296 38.824 38.460 0.114 0.000 1.201 406 Y HN -0.040 nan 8.280 nan 0.000 0.532 407 M N -1.736 117.862 119.600 -0.003 0.000 2.682 407 M HA 0.689 5.189 4.480 0.033 0.000 0.272 407 M C -1.989 174.277 176.300 -0.057 0.000 1.232 407 M CA -0.863 54.347 55.300 -0.151 0.000 0.849 407 M CB 2.557 34.981 32.600 -0.293 0.000 1.695 407 M HN -0.392 nan 8.290 nan 0.000 0.481 408 K N 1.582 121.961 120.400 -0.036 0.000 2.536 408 K HA 0.788 5.127 4.320 0.033 0.000 0.269 408 K C -1.725 174.910 176.600 0.058 0.000 0.965 408 K CA -0.282 56.000 56.287 -0.007 0.000 0.860 408 K CB 2.804 35.325 32.500 0.035 0.000 1.423 408 K HN 0.868 nan 8.250 nan 0.000 0.438 409 F N -2.404 117.388 119.950 -0.265 0.000 2.685 409 F HA 0.850 5.395 4.527 0.029 0.000 0.315 409 F C -0.019 175.248 175.800 -0.887 0.000 1.126 409 F CA -0.707 56.913 58.000 -0.633 0.000 0.950 409 F CB 1.774 40.541 39.000 -0.388 0.000 1.360 409 F HN 0.688 nan 8.300 nan 0.000 0.469 410 G N 0.499 108.587 108.800 -1.186 0.000 2.367 410 G HA2 0.401 4.381 3.960 0.033 0.000 0.272 410 G HA3 0.401 4.381 3.960 0.033 0.000 0.272 410 G C -2.394 172.227 174.900 -0.465 0.000 1.271 410 G CA -1.027 43.626 45.100 -0.745 0.000 0.893 410 G HN 0.842 nan 8.290 nan 0.000 0.485 411 Q N -0.843 118.945 119.800 -0.020 0.000 2.257 411 Q HA 0.781 5.141 4.340 0.033 0.000 0.262 411 Q C -1.219 175.012 176.000 0.385 0.000 0.997 411 Q CA -0.765 55.162 55.803 0.206 0.000 0.873 411 Q CB 2.877 31.777 28.738 0.271 0.000 1.312 411 Q HN 0.654 nan 8.270 nan 0.000 0.450 412 L N 2.084 123.531 121.223 0.373 0.000 2.493 412 L HA 0.727 5.087 4.340 0.033 0.000 0.265 412 L C -2.219 174.812 176.870 0.269 0.000 0.954 412 L CA -0.105 54.851 54.840 0.193 0.000 0.844 412 L CB 1.462 43.584 42.059 0.105 0.000 1.302 412 L HN 0.840 nan 8.230 nan 0.000 0.405 413 W N 3.097 124.381 121.300 -0.026 0.000 3.074 413 W HA 0.634 5.313 4.660 0.032 0.000 0.332 413 W C -1.850 174.640 176.519 -0.048 0.000 1.253 413 W CA -0.650 56.671 57.345 -0.041 0.000 1.180 413 W CB 0.926 30.363 29.460 -0.038 0.000 1.445 413 W HN 0.700 nan 8.180 nan 0.000 0.573 414 Q N 2.072 121.973 119.800 0.168 0.000 2.222 414 Q HA 0.340 4.700 4.340 0.033 0.000 0.252 414 Q C -0.817 175.273 176.000 0.150 0.000 0.926 414 Q CA -0.607 55.224 55.803 0.047 0.000 0.899 414 Q CB 1.810 30.569 28.738 0.035 0.000 1.250 414 Q HN 0.599 nan 8.270 nan 0.000 0.441 415 K N 3.125 123.556 120.400 0.052 0.000 2.419 415 K HA 0.317 4.657 4.320 0.033 0.000 0.244 415 K C -0.884 175.748 176.600 0.054 0.000 1.045 415 K CA -0.121 56.224 56.287 0.096 0.000 1.004 415 K CB 0.881 33.417 32.500 0.060 0.000 1.376 415 K HN 0.552 nan 8.250 nan 0.000 0.460 421 V N 1.006 120.940 119.914 0.034 0.000 2.487 421 V HA 0.901 5.041 4.120 0.033 0.000 0.298 421 V C -1.217 174.908 176.094 0.052 0.000 1.028 421 V CA -0.270 62.078 62.300 0.079 0.000 0.860 421 V CB 1.564 33.386 31.823 -0.002 0.000 0.991 421 V HN 0.538 nan 8.190 nan 0.000 0.427 422 K N 3.243 123.714 120.400 0.118 0.000 2.385 422 K HA 0.682 5.022 4.320 0.033 0.000 0.248 422 K C -0.557 176.102 176.600 0.100 0.000 0.955 422 K CA -0.357 55.972 56.287 0.070 0.000 0.816 422 K CB 1.906 34.433 32.500 0.045 0.000 1.250 422 K HN 0.501 nan 8.250 nan 0.000 0.434 423 D N 0.005 120.433 120.400 0.047 0.000 2.947 423 D HA -0.162 4.498 4.640 0.033 0.000 0.224 423 D C -0.845 175.494 176.300 0.065 0.000 1.132 423 D CA 0.795 54.817 54.000 0.038 0.000 0.801 423 D CB -1.314 39.507 40.800 0.035 0.000 1.097 423 D HN 0.743 nan 8.370 nan 0.000 0.431 424 N N 0.358 119.084 118.700 0.045 0.000 2.353 424 N HA 0.246 5.005 4.740 0.033 0.000 0.248 424 N C -0.130 175.379 175.510 -0.003 0.000 1.240 424 N CA 1.196 54.275 53.050 0.047 0.000 0.862 424 N CB 0.499 38.931 38.487 -0.092 0.000 1.086 424 N HN 0.314 nan 8.380 nan 0.000 0.453 425 S N 1.514 117.247 115.700 0.056 0.000 2.661 425 S HA 0.606 5.096 4.470 0.033 0.000 0.268 425 S C -1.274 173.361 174.600 0.059 0.000 1.162 425 S CA -1.051 57.152 58.200 0.005 0.000 0.817 425 S CB 0.726 63.929 63.200 0.004 0.000 1.141 425 S HN 0.311 nan 8.310 nan 0.000 0.477 426 L N 1.252 122.490 121.223 0.025 0.000 2.333 426 L HA 0.853 5.213 4.340 0.033 0.000 0.269 426 L C -1.041 175.892 176.870 0.105 0.000 1.010 426 L CA -0.957 53.897 54.840 0.023 0.000 0.818 426 L CB 1.714 43.743 42.059 -0.049 0.000 1.306 426 L HN 0.889 nan 8.230 nan 0.000 0.430 427 F N 1.443 121.388 119.950 -0.008 0.000 2.613 427 F HA 0.855 5.401 4.527 0.031 0.000 0.314 427 F C -1.545 174.258 175.800 0.004 0.000 1.075 427 F CA -1.262 56.721 58.000 -0.029 0.000 0.945 427 F CB 1.697 40.666 39.000 -0.052 0.000 1.310 427 F HN 0.248 nan 8.300 nan 0.000 0.467 428 L N 2.199 123.506 121.223 0.139 0.000 2.505 428 L HA 0.566 4.926 4.340 0.033 0.000 0.266 428 L C -1.765 175.147 176.870 0.069 0.000 0.954 428 L CA -0.011 54.847 54.840 0.031 0.000 0.852 428 L CB 2.364 44.362 42.059 -0.102 0.000 1.282 428 L HN 0.861 nan 8.230 nan 0.000 0.403 429 Q N 3.347 123.167 119.800 0.033 0.000 2.389 429 Q HA 0.872 5.232 4.340 0.033 0.000 0.277 429 Q C -0.908 174.929 176.000 -0.272 0.000 1.082 429 Q CA -0.962 54.802 55.803 -0.065 0.000 0.810 429 Q CB 2.773 31.506 28.738 -0.010 0.000 1.374 429 Q HN 0.908 nan 8.270 nan 0.000 0.422 430 G N 0.933 109.507 108.800 -0.376 0.000 2.720 430 G HA2 0.470 4.450 3.960 0.033 0.000 0.295 430 G HA3 0.470 4.450 3.960 0.033 0.000 0.295 430 G C -1.527 173.251 174.900 -0.203 0.000 1.437 430 G CA -0.649 43.977 45.100 -0.790 0.000 0.886 430 G HN 0.483 nan 8.290 nan 0.000 0.509 431 E N 1.859 122.069 120.200 0.017 0.000 2.063 431 E HA 0.265 4.635 4.350 0.033 0.000 0.265 431 E C 0.085 176.918 176.600 0.388 0.000 0.919 431 E CA -0.785 55.744 56.400 0.215 0.000 0.756 431 E CB 1.348 31.177 29.700 0.214 0.000 1.120 431 E HN 0.181 nan 8.360 nan 0.000 0.414 432 R N 1.679 122.386 120.500 0.345 0.000 2.640 432 R HA 0.056 4.416 4.340 0.033 0.000 0.270 432 R C 0.070 176.437 176.300 0.111 0.000 1.024 432 R CA 0.231 56.465 56.100 0.224 0.000 1.085 432 R CB 0.140 30.506 30.300 0.111 0.000 0.963 432 R HN 0.418 nan 8.270 nan 0.000 0.426 433 T N 2.196 116.783 114.554 0.056 0.000 2.916 433 T HA 0.153 4.523 4.350 0.033 0.000 0.303 433 T C 0.471 175.162 174.700 -0.015 0.000 1.025 433 T CA -0.148 61.951 62.100 -0.002 0.000 1.142 433 T CB 0.776 69.634 68.868 -0.017 0.000 0.947 433 T HN 0.583 nan 8.240 nan 0.000 0.544 434 A N 3.454 126.256 122.820 -0.029 0.000 2.511 434 A HA 0.226 4.566 4.320 0.033 0.000 0.242 434 A C 1.699 179.252 177.584 -0.053 0.000 1.069 434 A CA -0.296 51.724 52.037 -0.029 0.000 0.763 434 A CB -0.109 18.876 19.000 -0.026 0.000 1.001 434 A HN 0.911 nan 8.150 nan 0.000 0.498 435 T N 1.120 115.647 114.554 -0.046 0.000 2.833 435 T HA -0.137 4.233 4.350 0.033 0.000 0.269 435 T C 1.259 175.911 174.700 -0.080 0.000 1.054 435 T CA 1.861 63.924 62.100 -0.062 0.000 1.135 435 T CB -0.309 68.534 68.868 -0.042 0.000 0.869 435 T HN 0.924 nan 8.240 nan 0.000 0.466 436 D N 0.544 120.905 120.400 -0.064 0.000 2.349 436 D HA -0.031 4.629 4.640 0.033 0.000 0.224 436 D C 1.417 177.666 176.300 -0.084 0.000 1.029 436 D CA 0.433 54.393 54.000 -0.066 0.000 0.879 436 D CB -0.055 40.720 40.800 -0.043 0.000 0.906 436 D HN 0.160 nan 8.370 nan 0.000 0.528 437 K N -0.202 120.138 120.400 -0.100 0.000 2.373 437 K HA 0.167 4.507 4.320 0.033 0.000 0.202 437 K C 0.560 177.049 176.600 -0.186 0.000 1.025 437 K CA -0.391 55.824 56.287 -0.119 0.000 1.115 437 K CB 0.449 32.892 32.500 -0.095 0.000 0.858 437 K HN 0.201 nan 8.250 nan 0.000 0.525 438 M N 2.440 121.905 119.600 -0.224 0.000 2.252 438 M HA 0.114 4.614 4.480 0.033 0.000 0.348 438 M C -2.155 173.876 176.300 -0.448 0.000 1.334 438 M CA -2.022 53.051 55.300 -0.378 0.000 1.071 438 M CB -0.481 31.896 32.600 -0.371 0.000 1.763 438 M HN -0.207 nan 8.290 nan 0.000 0.452 439 P HA 0.074 nan 4.420 nan 0.000 0.264 439 P C -0.791 176.221 177.300 -0.480 0.000 1.183 439 P CA -0.020 62.741 63.100 -0.566 0.000 0.763 439 P CB 0.409 31.641 31.700 -0.779 0.000 0.807 440 A N 3.467 126.157 122.820 -0.216 0.000 2.774 440 A HA 0.578 4.918 4.320 0.033 0.000 0.326 440 A C 0.799 178.391 177.584 0.014 0.000 1.478 440 A CA 0.280 52.257 52.037 -0.101 0.000 1.099 440 A CB -1.247 17.717 19.000 -0.060 0.000 1.148 440 A HN 0.829 nan 8.150 nan 0.000 0.519 441 G N 0.288 109.153 108.800 0.108 0.000 2.755 441 G HA2 0.269 4.249 3.960 0.033 0.000 0.686 441 G HA3 0.269 4.249 3.960 0.033 0.000 0.686 441 G C 0.495 175.649 174.900 0.423 0.000 1.427 441 G CA -0.220 45.038 45.100 0.264 0.000 0.873 441 G HN 1.606 nan 8.290 nan 0.000 0.580 442 G N 0.262 109.367 108.800 0.508 0.000 2.465 442 G HA2 0.457 4.437 3.960 0.033 0.000 0.178 442 G HA3 0.457 4.437 3.960 0.033 0.000 0.178 442 G C 0.109 175.147 174.900 0.229 0.000 1.591 442 G CA 0.602 45.874 45.100 0.286 0.000 0.689 442 G HN 0.882 nan 8.290 nan 0.000 0.708 443 N N 0.107 118.765 118.700 -0.069 0.000 2.417 443 N HA 0.644 5.404 4.740 0.033 0.000 0.274 443 N C -1.915 173.352 175.510 -0.405 0.000 0.987 443 N CA -0.419 52.553 53.050 -0.131 0.000 0.912 443 N CB 1.387 39.812 38.487 -0.104 0.000 1.177 443 N HN 0.290 nan 8.380 nan 0.000 0.490 444 Y N 0.071 120.402 120.300 0.052 0.000 2.581 444 Y HA 0.436 5.040 4.550 0.089 0.000 0.345 444 Y C 0.085 176.039 175.900 0.090 0.000 1.036 444 Y CA -1.098 57.045 58.100 0.073 0.000 1.042 444 Y CB 1.714 40.250 38.460 0.126 0.000 1.289 444 Y HN 0.194 nan 8.280 nan 0.000 0.471 445 K N 0.846 121.327 120.400 0.134 0.000 2.164 445 K HA 0.541 4.881 4.320 0.033 0.000 0.258 445 K C -2.240 174.347 176.600 -0.021 0.000 0.951 445 K CA -0.631 55.684 56.287 0.047 0.000 0.844 445 K CB 0.671 33.019 32.500 -0.254 0.000 1.099 445 K HN 0.592 nan 8.250 nan 0.000 0.435 446 Y N 2.674 123.000 120.300 0.043 0.000 2.361 446 Y HA 0.447 4.982 4.550 -0.026 0.000 0.337 446 Y C -0.682 175.297 175.900 0.131 0.000 0.965 446 Y CA -1.096 57.059 58.100 0.092 0.000 1.091 446 Y CB 2.116 40.645 38.460 0.115 0.000 1.182 446 Y HN 0.326 nan 8.280 nan 0.000 0.450 447 V N 0.575 120.624 119.914 0.225 0.000 2.735 447 V HA 1.109 5.249 4.120 0.033 0.000 0.310 447 V C -0.410 175.857 176.094 0.288 0.000 1.061 447 V CA -0.106 62.335 62.300 0.236 0.000 0.913 447 V CB 1.379 33.279 31.823 0.128 0.000 1.005 447 V HN 0.901 nan 8.190 nan 0.000 0.428 448 G N 1.833 110.841 108.800 0.346 0.000 2.677 448 G HA2 0.686 4.666 3.960 0.033 0.000 0.283 448 G HA3 0.686 4.666 3.960 0.033 0.000 0.283 448 G C -0.740 174.444 174.900 0.473 0.000 1.221 448 G CA 0.284 45.628 45.100 0.408 0.000 0.851 448 G HN 1.155 nan 8.290 nan 0.000 0.504 449 T N -1.323 113.587 114.554 0.594 0.000 2.591 449 T HA 0.775 5.145 4.350 0.033 0.000 0.274 449 T C -1.815 173.386 174.700 0.836 0.000 0.945 449 T CA 0.112 62.649 62.100 0.727 0.000 1.087 449 T CB 1.258 70.531 68.868 0.675 0.000 1.416 449 T HN 1.392 nan 8.240 nan 0.000 0.514 450 W N 0.340 121.889 121.300 0.414 0.000 2.982 450 W HA 0.628 5.308 4.660 0.034 0.000 0.344 450 W C -2.287 174.384 176.519 0.252 0.000 1.215 450 W CA -0.909 56.599 57.345 0.272 0.000 1.182 450 W CB -0.125 29.458 29.460 0.204 0.000 1.437 450 W HN 0.500 nan 8.180 nan 0.000 0.570 451 D N 0.969 121.464 120.400 0.159 0.000 2.619 451 D HA 0.737 5.397 4.640 0.033 0.000 0.241 451 D C -0.739 175.454 176.300 -0.178 0.000 1.087 451 D CA -0.013 53.885 54.000 -0.170 0.000 0.851 451 D CB 2.416 43.197 40.800 -0.032 0.000 1.474 451 D HN 0.714 nan 8.370 nan 0.000 0.478 452 A N 1.241 123.857 122.820 -0.340 0.000 2.599 452 A HA 0.732 5.072 4.320 0.033 0.000 0.290 452 A C -1.980 175.575 177.584 -0.048 0.000 1.101 452 A CA -0.694 51.275 52.037 -0.115 0.000 0.674 452 A CB 1.490 20.524 19.000 0.056 0.000 1.277 452 A HN 0.458 nan 8.150 nan 0.000 0.419 453 L N 0.970 122.298 121.223 0.175 0.000 2.541 453 L HA 0.670 5.029 4.340 0.033 0.000 0.266 453 L C -1.815 175.340 176.870 0.474 0.000 0.966 453 L CA -0.553 54.459 54.840 0.286 0.000 0.871 453 L CB 1.700 43.898 42.059 0.232 0.000 1.232 453 L HN 0.536 nan 8.230 nan 0.000 0.408 454 V N 3.619 123.921 119.914 0.647 0.000 2.394 454 V HA 0.577 4.717 4.120 0.033 0.000 0.282 454 V C -0.014 176.353 176.094 0.454 0.000 1.031 454 V CA -0.151 62.528 62.300 0.632 0.000 0.881 454 V CB 1.683 34.055 31.823 0.915 0.000 0.982 454 V HN 0.818 nan 8.190 nan 0.000 0.451 455 S N 4.684 120.560 115.700 0.294 0.000 2.594 455 S HA 0.604 5.094 4.470 0.033 0.000 0.296 455 S C -0.059 174.611 174.600 0.116 0.000 1.124 455 S CA -0.683 57.637 58.200 0.200 0.000 1.011 455 S CB 2.205 65.526 63.200 0.202 0.000 1.016 455 S HN 0.810 nan 8.310 nan 0.000 0.485 456 K N 1.730 122.183 120.400 0.088 0.000 4.260 456 K HA 0.457 4.797 4.320 0.033 0.000 0.295 456 K C 1.821 178.444 176.600 0.039 0.000 1.029 456 K CA 0.091 56.401 56.287 0.037 0.000 1.752 456 K CB -0.492 32.003 32.500 -0.008 0.000 3.226 456 K HN 0.589 nan 8.250 nan 0.000 0.891 457 G N 0.602 109.416 108.800 0.023 0.000 2.404 457 G HA2 -0.143 3.837 3.960 0.033 0.000 0.215 457 G HA3 -0.143 3.837 3.960 0.033 0.000 0.215 457 G C 0.899 175.826 174.900 0.044 0.000 1.174 457 G CA 1.739 46.854 45.100 0.026 0.000 0.780 457 G HN 0.558 nan 8.290 nan 0.000 0.537 458 T N -2.007 112.581 114.554 0.056 0.000 2.797 458 T HA 0.602 4.972 4.350 0.033 0.000 0.267 458 T C -0.737 174.033 174.700 0.118 0.000 0.986 458 T CA -0.986 61.161 62.100 0.078 0.000 0.999 458 T CB 1.791 70.706 68.868 0.078 0.000 1.508 458 T HN -0.011 nan 8.240 nan 0.000 0.595 459 N N -0.301 118.484 118.700 0.142 0.000 2.295 459 N HA 0.351 5.111 4.740 0.033 0.000 0.293 459 N C -2.267 173.400 175.510 0.262 0.000 1.040 459 N CA -0.419 52.748 53.050 0.195 0.000 0.840 459 N CB 1.861 40.431 38.487 0.138 0.000 1.468 459 N HN 0.877 nan 8.380 nan 0.000 0.478 460 W N 4.545 125.940 121.300 0.159 0.000 2.361 460 W HA 0.584 5.263 4.660 0.031 0.000 0.314 460 W C -0.787 175.844 176.519 0.187 0.000 1.041 460 W CA -0.836 56.635 57.345 0.211 0.000 1.241 460 W CB 0.398 30.067 29.460 0.348 0.000 1.279 460 W HN 0.464 nan 8.180 nan 0.000 0.436 461 I N 3.668 123.951 120.570 -0.478 0.000 2.707 461 I HA 0.910 5.100 4.170 0.033 0.000 0.309 461 I C -0.362 175.006 176.117 -1.249 0.000 1.001 461 I CA -1.324 59.605 61.300 -0.619 0.000 1.129 461 I CB 1.642 39.407 38.000 -0.391 0.000 1.308 461 I HN 0.459 nan 8.210 nan 0.000 0.466 462 A N 3.357 125.470 122.820 -1.178 0.000 2.331 462 A HA 0.761 5.101 4.320 0.033 0.000 0.320 462 A C -0.625 176.124 177.584 -1.393 0.000 1.138 462 A CA -0.571 50.454 52.037 -1.686 0.000 0.790 462 A CB 0.809 18.669 19.000 -1.901 0.000 1.206 462 A HN 0.742 nan 8.150 nan 0.000 0.470 463 E N 1.571 120.700 120.200 -1.785 0.000 2.199 463 E HA 0.483 4.853 4.350 0.033 0.000 0.265 463 E C -0.250 176.127 176.600 -0.371 0.000 0.882 463 E CA -0.597 55.344 56.400 -0.765 0.000 0.759 463 E CB 2.112 31.547 29.700 -0.441 0.000 1.148 463 E HN 0.827 nan 8.360 nan 0.000 0.412 464 A N 3.628 126.384 122.820 -0.106 0.000 2.540 464 A HA 0.199 4.539 4.320 0.033 0.000 0.239 464 A C 0.033 177.785 177.584 0.281 0.000 1.061 464 A CA 0.396 52.537 52.037 0.173 0.000 0.758 464 A CB -0.031 19.066 19.000 0.162 0.000 0.991 464 A HN 0.692 nan 8.150 nan 0.000 0.502 465 D N -0.308 120.324 120.400 0.387 0.000 2.677 465 D HA 0.300 4.960 4.640 0.033 0.000 0.298 465 D C -0.355 175.891 176.300 -0.091 0.000 1.250 465 D CA -0.440 53.688 54.000 0.215 0.000 0.888 465 D CB 0.243 41.138 40.800 0.158 0.000 1.397 465 D HN 0.285 nan 8.370 nan 0.000 0.461 466 N N -0.809 117.561 118.700 -0.551 0.000 2.204 466 N HA 0.080 4.839 4.740 0.033 0.000 0.219 466 N C -0.368 174.986 175.510 -0.260 0.000 1.151 466 N CA -0.460 52.163 53.050 -0.713 0.000 0.867 466 N CB -0.290 37.432 38.487 -1.275 0.000 1.043 466 N HN 0.308 nan 8.380 nan 0.000 0.516 467 N N 1.800 120.427 118.700 -0.122 0.000 2.434 467 N HA 0.088 4.848 4.740 0.033 0.000 0.273 467 N C 0.597 176.097 175.510 -0.017 0.000 1.210 467 N CA -0.005 53.012 53.050 -0.056 0.000 0.992 467 N CB 0.298 38.765 38.487 -0.033 0.000 1.355 467 N HN 0.207 nan 8.380 nan 0.000 0.495 468 R N 1.525 122.015 120.500 -0.018 0.000 2.237 468 R HA -0.076 4.284 4.340 0.033 0.000 0.219 468 R C 0.779 177.068 176.300 -0.019 0.000 1.080 468 R CA 0.890 56.996 56.100 0.010 0.000 0.995 468 R CB 0.300 30.616 30.300 0.026 0.000 0.875 468 R HN 0.435 nan 8.270 nan 0.000 0.462 469 E N 0.121 120.301 120.200 -0.034 0.000 2.030 469 E HA -0.043 4.327 4.350 0.033 0.000 0.189 469 E C 1.206 177.753 176.600 -0.089 0.000 0.974 469 E CA 1.607 57.975 56.400 -0.054 0.000 0.807 469 E CB 0.276 29.952 29.700 -0.039 0.000 0.771 469 E HN 0.254 nan 8.360 nan 0.000 0.451 470 S N -1.425 114.233 115.700 -0.070 0.000 3.082 470 S HA 0.436 4.926 4.470 0.033 0.000 0.253 470 S C 0.620 175.181 174.600 -0.065 0.000 0.961 470 S CA -0.187 57.967 58.200 -0.076 0.000 1.129 470 S CB 0.398 63.565 63.200 -0.055 0.000 1.083 470 S HN 0.201 nan 8.310 nan 0.000 0.605 471 G N 0.554 109.332 108.800 -0.038 0.000 2.510 471 G HA2 0.473 4.453 3.960 0.033 0.000 0.280 471 G HA3 0.473 4.453 3.960 0.033 0.000 0.280 471 G C -0.824 174.103 174.900 0.045 0.000 1.386 471 G CA -1.048 44.036 45.100 -0.026 0.000 1.047 471 G HN 0.406 nan 8.290 nan 0.000 0.527 472 Y N 1.116 121.530 120.300 0.191 0.000 2.517 472 Y HA 0.194 4.763 4.550 0.032 0.000 0.341 472 Y C 1.331 177.549 175.900 0.529 0.000 1.247 472 Y CA 0.106 58.402 58.100 0.326 0.000 1.774 472 Y CB -0.213 38.316 38.460 0.115 0.000 1.641 472 Y HN 0.116 nan 8.280 nan 0.000 0.457 473 R N 0.931 121.835 120.500 0.673 0.000 2.500 473 R HA 0.526 4.886 4.340 0.033 0.000 0.277 473 R C -0.066 176.566 176.300 0.555 0.000 1.026 473 R CA -0.541 55.878 56.100 0.532 0.000 1.058 473 R CB 1.084 31.531 30.300 0.244 0.000 1.078 473 R HN 0.443 nan 8.270 nan 0.000 0.509 474 T N -1.421 113.372 114.554 0.399 0.000 2.916 474 T HA 0.477 4.847 4.350 0.033 0.000 0.298 474 T C -0.723 174.147 174.700 0.283 0.000 1.031 474 T CA -1.066 61.164 62.100 0.217 0.000 0.993 474 T CB 1.854 70.855 68.868 0.221 0.000 1.045 474 T HN 0.502 nan 8.240 nan 0.000 0.454 475 E N 1.454 121.715 120.200 0.103 0.000 2.293 475 E HA 0.612 4.982 4.350 0.033 0.000 0.270 475 E C -1.614 174.894 176.600 -0.154 0.000 0.879 475 E CA -0.803 55.682 56.400 0.141 0.000 0.756 475 E CB 2.443 32.248 29.700 0.175 0.000 1.208 475 E HN 0.612 nan 8.360 nan 0.000 0.428 476 F N 0.771 120.744 119.950 0.038 0.000 2.561 476 F HA 0.260 4.819 4.527 0.053 0.000 0.313 476 F C -0.695 175.122 175.800 0.028 0.000 1.126 476 F CA -0.968 57.011 58.000 -0.034 0.000 0.918 476 F CB 1.961 40.884 39.000 -0.128 0.000 1.199 476 F HN 0.291 nan 8.300 nan 0.000 0.444 477 D N 2.579 123.043 120.400 0.107 0.000 2.359 477 D HA 0.429 5.089 4.640 0.033 0.000 0.230 477 D C -0.858 175.459 176.300 0.028 0.000 1.118 477 D CA -0.111 53.941 54.000 0.087 0.000 0.844 477 D CB 1.654 42.473 40.800 0.032 0.000 1.059 477 D HN 0.076 nan 8.370 nan 0.000 0.493 478 V N 3.299 123.231 119.914 0.031 0.000 2.350 478 V HA 0.261 4.401 4.120 0.033 0.000 0.276 478 V C -0.020 175.909 176.094 -0.274 0.000 1.028 478 V CA -0.765 61.425 62.300 -0.183 0.000 0.860 478 V CB 1.108 32.736 31.823 -0.324 0.000 0.990 478 V HN 0.458 nan 8.190 nan 0.000 0.453 479 N N 4.263 122.815 118.700 -0.247 0.000 2.546 479 N HA 0.328 5.088 4.740 0.033 0.000 0.238 479 N C 0.310 175.733 175.510 -0.145 0.000 0.984 479 N CA -0.552 52.403 53.050 -0.160 0.000 0.935 479 N CB 0.691 39.145 38.487 -0.055 0.000 1.122 479 N HN 0.379 nan 8.380 nan 0.000 0.510 480 F N 1.094 121.090 119.950 0.077 0.000 2.365 480 F HA -0.015 4.524 4.527 0.019 0.000 0.300 480 F C 2.278 178.089 175.800 0.019 0.000 1.090 480 F CA 0.411 58.423 58.000 0.020 0.000 1.408 480 F CB -0.247 38.757 39.000 0.008 0.000 1.060 480 F HN 0.419 nan 8.300 nan 0.000 0.534 481 S N -0.566 115.240 115.700 0.175 0.000 2.338 481 S HA -0.192 4.298 4.470 0.033 0.000 0.218 481 S C 1.650 176.294 174.600 0.073 0.000 1.032 481 S CA 1.546 59.811 58.200 0.108 0.000 0.999 481 S CB -0.336 62.910 63.200 0.077 0.000 0.905 481 S HN 0.273 nan 8.310 nan 0.000 0.439 482 D N 0.711 121.142 120.400 0.052 0.000 2.328 482 D HA 0.076 4.736 4.640 0.033 0.000 0.226 482 D C -0.260 176.065 176.300 0.042 0.000 1.066 482 D CA 0.079 54.101 54.000 0.037 0.000 0.861 482 D CB -0.167 40.644 40.800 0.019 0.000 0.912 482 D HN 0.175 nan 8.370 nan 0.000 0.521 483 K N 0.438 120.877 120.400 0.064 0.000 3.148 483 K HA -0.172 4.168 4.320 0.033 0.000 0.267 483 K C -0.416 176.218 176.600 0.058 0.000 0.996 483 K CA 0.623 56.958 56.287 0.080 0.000 0.737 483 K CB -0.819 31.730 32.500 0.081 0.000 1.308 483 K HN 0.153 nan 8.250 nan 0.000 0.470 484 K N 0.508 120.919 120.400 0.017 0.000 2.316 484 K HA 0.521 4.861 4.320 0.033 0.000 0.251 484 K C -0.236 176.328 176.600 -0.059 0.000 0.934 484 K CA -0.822 55.460 56.287 -0.008 0.000 0.802 484 K CB 2.490 34.980 32.500 -0.016 0.000 1.171 484 K HN -0.061 nan 8.250 nan 0.000 0.426 485 V N 3.387 123.253 119.914 -0.080 0.000 2.487 485 V HA 0.387 4.527 4.120 0.033 0.000 0.298 485 V C -0.688 175.338 176.094 -0.112 0.000 1.028 485 V CA -0.901 61.297 62.300 -0.169 0.000 0.860 485 V CB 1.736 33.291 31.823 -0.446 0.000 0.991 485 V HN 0.653 nan 8.190 nan 0.000 0.427 486 N N 3.371 122.021 118.700 -0.084 0.000 2.296 486 N HA 0.718 5.478 4.740 0.033 0.000 0.294 486 N C -0.294 175.027 175.510 -0.315 0.000 1.033 486 N CA -0.285 52.677 53.050 -0.147 0.000 0.839 486 N CB 2.872 41.283 38.487 -0.126 0.000 1.395 486 N HN 0.841 nan 8.380 nan 0.000 0.479 487 G N 0.841 109.260 108.800 -0.635 0.000 2.659 487 G HA2 0.589 4.569 3.960 0.033 0.000 0.296 487 G HA3 0.589 4.569 3.960 0.033 0.000 0.296 487 G C -1.194 173.086 174.900 -1.033 0.000 1.369 487 G CA -0.584 43.594 45.100 -1.536 0.000 0.937 487 G HN 0.312 nan 8.290 nan 0.000 0.485 488 K N 0.351 120.173 120.400 -0.964 0.000 2.324 488 K HA 0.610 4.950 4.320 0.033 0.000 0.253 488 K C -1.403 174.776 176.600 -0.701 0.000 0.932 488 K CA -0.763 55.097 56.287 -0.712 0.000 0.799 488 K CB 2.666 34.832 32.500 -0.558 0.000 1.154 488 K HN 0.165 nan 8.250 nan 0.000 0.425 489 L N 3.693 124.470 121.223 -0.743 0.000 2.353 489 L HA 0.424 4.784 4.340 0.033 0.000 0.270 489 L C -1.079 175.588 176.870 -0.338 0.000 1.003 489 L CA -0.201 54.160 54.840 -0.797 0.000 0.862 489 L CB 0.293 41.517 42.059 -1.390 0.000 1.221 489 L HN 0.497 nan 8.230 nan 0.000 0.430 490 F N 0.650 120.687 119.950 0.146 0.000 2.379 490 F HA 0.358 4.903 4.527 0.030 0.000 0.332 490 F C 0.811 176.995 175.800 0.640 0.000 1.096 490 F CA -0.455 57.730 58.000 0.310 0.000 1.105 490 F CB 1.019 40.134 39.000 0.191 0.000 1.189 490 F HN 0.374 nan 8.300 nan 0.000 0.515 491 D N 1.263 122.061 120.400 0.664 0.000 2.253 491 D HA 0.174 4.834 4.640 0.033 0.000 0.249 491 D C -0.837 175.528 176.300 0.108 0.000 1.049 491 D CA -0.758 53.577 54.000 0.558 0.000 0.929 491 D CB 0.860 42.086 40.800 0.710 0.000 1.176 491 D HN 0.442 nan 8.370 nan 0.000 0.437 492 K N 1.543 121.649 120.400 -0.489 0.000 2.402 492 K HA 0.372 4.712 4.320 0.033 0.000 0.279 492 K C 0.660 177.191 176.600 -0.115 0.000 1.082 492 K CA 0.118 56.150 56.287 -0.425 0.000 1.080 492 K CB -0.197 31.884 32.500 -0.698 0.000 0.899 492 K HN 0.567 nan 8.250 nan 0.000 0.469 493 G N 1.932 110.714 108.800 -0.031 0.000 2.270 493 G HA2 -0.133 3.847 3.960 0.033 0.000 0.224 493 G HA3 -0.133 3.847 3.960 0.033 0.000 0.224 493 G C 0.163 175.117 174.900 0.089 0.000 1.079 493 G CA -0.531 44.583 45.100 0.023 0.000 0.807 493 G HN 1.009 nan 8.290 nan 0.000 0.492 494 G N -1.398 107.483 108.800 0.136 0.000 2.367 494 G HA2 0.816 4.796 3.960 0.033 0.000 0.314 494 G HA3 0.816 4.796 3.960 0.033 0.000 0.314 494 G C 0.525 175.506 174.900 0.135 0.000 1.130 494 G CA 0.278 45.502 45.100 0.207 0.000 0.864 494 G HN 1.642 nan 8.290 nan 0.000 0.486 495 V N 1.228 121.214 119.914 0.120 0.000 3.770 495 V HA -0.261 3.879 4.120 0.033 0.000 0.537 495 V C 0.526 176.758 176.094 0.230 0.000 0.682 495 V CA 0.623 63.005 62.300 0.138 0.000 2.099 495 V CB -0.703 31.190 31.823 0.116 0.000 2.497 495 V HN 1.182 nan 8.190 nan 0.000 0.519 496 N N 2.064 120.850 118.700 0.144 0.000 2.327 496 N HA 0.512 5.272 4.740 0.033 0.000 0.257 496 N C -2.659 172.820 175.510 -0.052 0.000 1.281 496 N CA -0.514 52.600 53.050 0.107 0.000 0.942 496 N CB 0.052 38.541 38.487 0.003 0.000 1.199 496 N HN 0.609 nan 8.380 nan 0.000 0.532 497 P HA -0.011 nan 4.420 nan 0.000 0.269 497 P C 0.262 177.295 177.300 -0.445 0.000 1.217 497 P CA -0.078 62.541 63.100 -0.801 0.000 0.783 497 P CB 0.581 31.848 31.700 -0.723 0.000 0.898 498 V N 0.682 120.322 119.914 -0.457 0.000 2.825 498 V HA 0.127 4.267 4.120 0.033 0.000 0.246 498 V C 0.342 176.005 176.094 -0.717 0.000 1.068 498 V CA 1.195 63.157 62.300 -0.563 0.000 1.088 498 V CB -0.418 30.970 31.823 -0.726 0.000 0.733 498 V HN 0.410 nan 8.190 nan 0.000 0.468 499 F N -0.120 119.562 119.950 -0.447 0.000 2.556 499 F HA 0.528 5.076 4.527 0.035 0.000 0.314 499 F C 0.326 175.827 175.800 -0.498 0.000 1.106 499 F CA -0.636 57.118 58.000 -0.409 0.000 0.911 499 F CB 2.098 40.863 39.000 -0.392 0.000 1.190 499 F HN -0.088 nan 8.300 nan 0.000 0.448 500 T N -0.099 114.326 114.554 -0.214 0.000 2.950 500 T HA 0.881 5.251 4.350 0.033 0.000 0.288 500 T C -1.127 173.394 174.700 -0.298 0.000 1.035 500 T CA -0.775 61.136 62.100 -0.315 0.000 1.028 500 T CB 1.853 70.562 68.868 -0.265 0.000 1.109 500 T HN 0.324 nan 8.240 nan 0.000 0.514 501 V N 1.530 121.242 119.914 -0.337 0.000 2.709 501 V HA 0.512 4.652 4.120 0.033 0.000 0.308 501 V C -1.407 174.590 176.094 -0.161 0.000 1.062 501 V CA -0.934 61.223 62.300 -0.237 0.000 0.901 501 V CB 2.023 33.735 31.823 -0.185 0.000 1.003 501 V HN 1.076 nan 8.190 nan 0.000 0.425 502 D N 3.268 123.609 120.400 -0.098 0.000 2.492 502 D HA 0.797 5.457 4.640 0.033 0.000 0.248 502 D C -0.222 176.074 176.300 -0.007 0.000 1.101 502 D CA -0.045 53.918 54.000 -0.061 0.000 0.840 502 D CB 2.028 42.792 40.800 -0.059 0.000 1.209 502 D HN 0.902 nan 8.370 nan 0.000 0.524 503 A N 1.671 124.497 122.820 0.011 0.000 2.569 503 A HA 0.875 5.215 4.320 0.033 0.000 0.290 503 A C -0.791 176.843 177.584 0.083 0.000 1.136 503 A CA -0.738 51.353 52.037 0.090 0.000 0.710 503 A CB 1.778 20.912 19.000 0.223 0.000 1.303 503 A HN 0.364 nan 8.150 nan 0.000 0.413 504 T N 1.295 115.934 114.554 0.142 0.000 2.824 504 T HA 0.503 4.873 4.350 0.033 0.000 0.282 504 T C -0.269 174.558 174.700 0.212 0.000 0.993 504 T CA -0.089 62.090 62.100 0.131 0.000 0.967 504 T CB 0.685 69.609 68.868 0.094 0.000 0.960 504 T HN 0.438 nan 8.240 nan 0.000 0.441 505 I N 3.905 124.602 120.570 0.212 0.000 2.436 505 I HA 0.236 4.426 4.170 0.033 0.000 0.289 505 I C 0.309 176.537 176.117 0.185 0.000 1.083 505 I CA -0.178 61.293 61.300 0.286 0.000 1.372 505 I CB 0.226 38.386 38.000 0.267 0.000 1.408 505 I HN 0.466 nan 8.210 nan 0.000 0.516 506 N N 4.939 123.746 118.700 0.178 0.000 2.461 506 N HA 0.541 5.301 4.740 0.033 0.000 0.284 506 N C 0.075 175.637 175.510 0.087 0.000 1.049 506 N CA 0.696 53.807 53.050 0.103 0.000 0.889 506 N CB 1.585 40.118 38.487 0.077 0.000 1.365 506 N HN 0.839 nan 8.380 nan 0.000 0.499 507 G N 3.696 112.526 108.800 0.051 0.000 2.543 507 G HA2 -0.351 3.629 3.960 0.033 0.000 0.286 507 G HA3 -0.351 3.629 3.960 0.033 0.000 0.286 507 G C 0.164 175.083 174.900 0.032 0.000 1.153 507 G CA 0.534 45.649 45.100 0.025 0.000 0.968 507 G HN 0.852 nan 8.290 nan 0.000 0.544 508 N N 1.849 120.580 118.700 0.051 0.000 2.275 508 N HA 0.517 5.277 4.740 0.033 0.000 0.236 508 N C 0.481 176.123 175.510 0.220 0.000 1.154 508 N CA 1.152 54.258 53.050 0.092 0.000 0.866 508 N CB 0.692 39.195 38.487 0.026 0.000 1.093 508 N HN 1.297 nan 8.380 nan 0.000 0.515 509 G N -0.485 108.448 108.800 0.222 0.000 2.766 509 G HA2 0.683 4.663 3.960 0.033 0.000 0.288 509 G HA3 0.683 4.663 3.960 0.033 0.000 0.288 509 G C -1.593 173.456 174.900 0.248 0.000 1.408 509 G CA -1.019 44.142 45.100 0.101 0.000 0.852 509 G HN 0.197 nan 8.290 nan 0.000 0.487 510 F N -1.635 118.320 119.950 0.007 0.000 2.613 510 F HA 0.883 5.409 4.527 -0.002 0.000 0.314 510 F C -1.003 174.802 175.800 0.008 0.000 1.075 510 F CA -1.631 56.394 58.000 0.042 0.000 0.945 510 F CB 1.732 40.752 39.000 0.033 0.000 1.310 510 F HN 0.421 nan 8.300 nan 0.000 0.467 511 I N 0.800 121.507 120.570 0.229 0.000 2.752 511 I HA 0.799 4.989 4.170 0.033 0.000 0.295 511 I C -0.117 176.096 176.117 0.160 0.000 1.219 511 I CA -0.683 60.689 61.300 0.120 0.000 1.030 511 I CB 2.014 40.041 38.000 0.046 0.000 1.259 511 I HN 1.134 nan 8.210 nan 0.000 0.423 512 G N 2.954 111.829 108.800 0.125 0.000 2.485 512 G HA2 0.486 4.466 3.960 0.033 0.000 0.182 512 G HA3 0.486 4.466 3.960 0.033 0.000 0.182 512 G C -1.660 173.258 174.900 0.031 0.000 1.172 512 G CA -0.303 44.845 45.100 0.081 0.000 0.996 512 G HN 0.485 nan 8.290 nan 0.000 0.496 513 S N -0.504 115.191 115.700 -0.008 0.000 2.538 513 S HA 0.804 5.294 4.470 0.033 0.000 0.288 513 S C -0.135 174.376 174.600 -0.148 0.000 1.108 513 S CA 0.139 58.296 58.200 -0.071 0.000 0.971 513 S CB 1.620 64.784 63.200 -0.059 0.000 1.041 513 S HN 1.461 nan 8.310 nan 0.000 0.483 514 A N 2.851 125.507 122.820 -0.272 0.000 2.325 514 A HA 0.895 5.235 4.320 0.033 0.000 0.333 514 A C -0.355 177.115 177.584 -0.191 0.000 1.155 514 A CA -0.723 51.065 52.037 -0.414 0.000 0.814 514 A CB 0.784 19.109 19.000 -1.124 0.000 1.206 514 A HN 0.844 nan 8.150 nan 0.000 0.482 515 K N -0.412 119.967 120.400 -0.036 0.000 2.548 515 K HA 0.746 5.086 4.320 0.033 0.000 0.282 515 K C -0.566 176.049 176.600 0.026 0.000 1.006 515 K CA -0.512 55.810 56.287 0.059 0.000 0.892 515 K CB 1.403 33.885 32.500 -0.030 0.000 1.499 515 K HN 0.691 nan 8.250 nan 0.000 0.433 516 T N -1.962 112.547 114.554 -0.075 0.000 2.870 516 T HA 0.450 4.820 4.350 0.033 0.000 0.277 516 T C 0.107 174.716 174.700 -0.152 0.000 1.000 516 T CA -0.830 61.120 62.100 -0.250 0.000 0.982 516 T CB 1.215 69.927 68.868 -0.260 0.000 1.249 516 T HN 0.488 nan 8.240 nan 0.000 0.589 517 S N 0.953 116.563 115.700 -0.151 0.000 2.584 517 S HA 0.127 4.617 4.470 0.033 0.000 0.270 517 S C 0.813 175.356 174.600 -0.095 0.000 1.346 517 S CA -0.611 57.522 58.200 -0.111 0.000 1.018 517 S CB 0.208 63.351 63.200 -0.096 0.000 0.899 517 S HN 0.747 nan 8.310 nan 0.000 0.542 518 D N 1.205 121.556 120.400 -0.081 0.000 2.271 518 D HA -0.085 4.575 4.640 0.033 0.000 0.207 518 D C 1.663 177.912 176.300 -0.085 0.000 0.983 518 D CA 1.110 55.063 54.000 -0.077 0.000 0.878 518 D CB -0.102 40.660 40.800 -0.063 0.000 0.920 518 D HN 0.420 nan 8.370 nan 0.000 0.479 519 S N -1.101 114.548 115.700 -0.085 0.000 2.497 519 S HA 0.330 4.820 4.470 0.033 0.000 0.218 519 S C 0.823 175.353 174.600 -0.115 0.000 1.023 519 S CA 0.852 58.999 58.200 -0.088 0.000 0.913 519 S CB 0.039 63.199 63.200 -0.068 0.000 0.800 519 S HN 0.415 nan 8.310 nan 0.000 0.505 520 G N 1.497 110.228 108.800 -0.114 0.000 2.797 520 G HA2 -0.210 3.770 3.960 0.033 0.000 0.686 520 G HA3 -0.210 3.770 3.960 0.033 0.000 0.686 520 G C -0.410 174.410 174.900 -0.133 0.000 1.452 520 G CA -0.272 44.741 45.100 -0.146 0.000 0.986 520 G HN 0.896 nan 8.290 nan 0.000 0.595 521 F N 0.826 120.612 119.950 -0.273 0.000 2.421 521 F HA 0.719 5.268 4.527 0.036 0.000 0.358 521 F C 0.803 176.465 175.800 -0.231 0.000 1.115 521 F CA -0.793 57.050 58.000 -0.263 0.000 1.160 521 F CB 0.469 39.236 39.000 -0.390 0.000 1.123 521 F HN 1.226 nan 8.300 nan 0.000 0.508 522 A N 4.663 127.390 122.820 -0.156 0.000 2.616 522 A HA 0.170 4.510 4.320 0.033 0.000 0.234 522 A C 0.955 178.452 177.584 -0.144 0.000 1.024 522 A CA 0.282 52.231 52.037 -0.146 0.000 0.758 522 A CB -0.169 18.817 19.000 -0.024 0.000 0.939 522 A HN 1.138 nan 8.150 nan 0.000 0.510 523 L N 0.823 121.963 121.223 -0.138 0.000 2.357 523 L HA 0.279 4.639 4.340 0.033 0.000 0.211 523 L C 0.794 177.733 176.870 0.115 0.000 1.075 523 L CA 0.620 55.469 54.840 0.016 0.000 0.830 523 L CB -0.651 41.391 42.059 -0.028 0.000 0.996 523 L HN 0.670 nan 8.230 nan 0.000 0.467 532 N N -0.006 118.598 118.700 -0.159 0.000 2.619 532 N HA 0.725 5.485 4.740 0.033 0.000 0.294 532 N C 0.209 175.537 175.510 -0.303 0.000 1.279 532 N CA -0.263 52.645 53.050 -0.238 0.000 0.867 532 N CB 2.328 40.648 38.487 -0.278 0.000 1.329 532 N HN 0.821 nan 8.380 nan 0.000 0.557 533 A N 0.574 123.130 122.820 -0.439 0.000 2.401 533 A HA 0.460 4.799 4.320 0.033 0.000 0.259 533 A C -0.118 177.175 177.584 -0.484 0.000 1.103 533 A CA -0.263 51.490 52.037 -0.473 0.000 0.789 533 A CB -0.113 18.620 19.000 -0.445 0.000 1.035 533 A HN 0.474 nan 8.150 nan 0.000 0.491 534 V N -0.806 118.735 119.914 -0.622 0.000 2.971 534 V HA 0.942 5.082 4.120 0.033 0.000 0.309 534 V C -1.123 174.493 176.094 -0.797 0.000 1.130 534 V CA -0.962 61.047 62.300 -0.484 0.000 0.964 534 V CB 1.468 33.103 31.823 -0.312 0.000 1.029 534 V HN 0.742 nan 8.190 nan 0.000 0.427 535 F N 1.224 121.167 119.950 -0.012 0.000 2.628 535 F HA 0.841 5.389 4.527 0.035 0.000 0.309 535 F C 0.097 175.877 175.800 -0.033 0.000 1.108 535 F CA -0.054 57.956 58.000 0.016 0.000 0.971 535 F CB 2.374 41.480 39.000 0.178 0.000 1.279 535 F HN 0.951 nan 8.300 nan 0.000 0.441 536 S N 0.134 115.900 115.700 0.110 0.000 2.618 536 S HA 0.564 5.054 4.470 0.033 0.000 0.277 536 S C -0.639 173.944 174.600 -0.028 0.000 1.138 536 S CA -0.761 57.450 58.200 0.019 0.000 0.844 536 S CB 1.930 65.120 63.200 -0.016 0.000 1.127 536 S HN 0.792 nan 8.310 nan 0.000 0.474 537 D N 0.056 120.428 120.400 -0.047 0.000 2.737 537 D HA -0.138 4.522 4.640 0.033 0.000 0.233 537 D C -0.391 175.855 176.300 -0.091 0.000 1.155 537 D CA 0.579 54.543 54.000 -0.059 0.000 0.667 537 D CB -1.190 39.586 40.800 -0.041 0.000 1.060 537 D HN 0.580 nan 8.370 nan 0.000 0.427 538 I N 0.477 120.973 120.570 -0.122 0.000 2.496 538 I HA 0.036 4.226 4.170 0.033 0.000 0.285 538 I C 1.272 177.317 176.117 -0.120 0.000 1.080 538 I CA -0.083 61.122 61.300 -0.158 0.000 1.404 538 I CB 0.843 38.705 38.000 -0.231 0.000 1.403 538 I HN 0.055 nan 8.210 nan 0.000 0.539 539 K N 5.936 126.296 120.400 -0.066 0.000 2.349 539 K HA 0.334 4.674 4.320 0.033 0.000 0.289 539 K C -0.823 175.775 176.600 -0.003 0.000 1.064 539 K CA -0.263 56.002 56.287 -0.035 0.000 0.947 539 K CB 0.846 33.331 32.500 -0.027 0.000 1.007 539 K HN 0.475 nan 8.250 nan 0.000 0.478 540 V N 5.496 125.432 119.914 0.036 0.000 2.448 540 V HA 0.414 4.553 4.120 0.033 0.000 0.295 540 V C -1.266 174.874 176.094 0.076 0.000 1.025 540 V CA -0.743 61.641 62.300 0.140 0.000 0.859 540 V CB 1.490 33.447 31.823 0.224 0.000 0.988 540 V HN 0.852 nan 8.190 nan 0.000 0.431 541 N N 4.740 123.442 118.700 0.004 0.000 2.400 541 N HA 0.714 5.474 4.740 0.033 0.000 0.288 541 N C -0.145 175.124 175.510 -0.402 0.000 1.024 541 N CA 0.042 52.991 53.050 -0.168 0.000 0.894 541 N CB 2.199 40.620 38.487 -0.109 0.000 1.173 541 N HN 0.993 nan 8.380 nan 0.000 0.487 542 G N -0.492 107.750 108.800 -0.932 0.000 2.725 542 G HA2 0.731 4.711 3.960 0.033 0.000 0.288 542 G HA3 0.731 4.711 3.960 0.033 0.000 0.288 542 G C -1.057 173.096 174.900 -1.245 0.000 1.399 542 G CA -0.691 43.530 45.100 -1.465 0.000 0.859 542 G HN 0.541 nan 8.290 nan 0.000 0.479 543 G N -1.446 106.801 108.800 -0.922 0.000 2.642 543 G HA2 0.628 4.608 3.960 0.033 0.000 0.293 543 G HA3 0.628 4.608 3.960 0.033 0.000 0.293 543 G C -1.721 172.514 174.900 -1.109 0.000 1.341 543 G CA -0.729 43.864 45.100 -0.846 0.000 0.916 543 G HN 0.379 nan 8.290 nan 0.000 0.474 544 F N 0.317 119.885 119.950 -0.636 0.000 2.420 544 F HA 0.609 5.111 4.527 -0.043 0.000 0.342 544 F C -0.510 174.934 175.800 -0.594 0.000 1.113 544 F CA -0.379 57.343 58.000 -0.464 0.000 1.059 544 F CB 1.780 40.704 39.000 -0.126 0.000 1.128 544 F HN 0.262 nan 8.300 nan 0.000 0.475 545 Y N 0.684 121.110 120.300 0.210 0.000 2.524 545 Y HA 0.761 5.358 4.550 0.079 0.000 0.344 545 Y C 0.541 176.470 175.900 0.049 0.000 1.012 545 Y CA -1.476 56.699 58.100 0.125 0.000 1.068 545 Y CB 1.745 40.290 38.460 0.141 0.000 1.249 545 Y HN 0.876 nan 8.280 nan 0.000 0.468 546 G N 1.378 110.190 108.800 0.020 0.000 2.712 546 G HA2 -0.147 3.833 3.960 0.033 0.000 0.683 546 G HA3 -0.147 3.833 3.960 0.033 0.000 0.683 546 G C -2.416 172.246 174.900 -0.396 0.000 1.320 546 G CA -0.884 43.862 45.100 -0.590 0.000 0.847 546 G HN 0.434 nan 8.290 nan 0.000 0.553 547 P HA -0.055 nan 4.420 nan 0.000 0.216 547 P C 1.383 178.593 177.300 -0.149 0.000 1.154 547 P CA 2.914 65.869 63.100 -0.242 0.000 0.865 547 P CB 0.183 31.770 31.700 -0.189 0.000 0.789 548 T N -3.282 111.194 114.554 -0.131 0.000 3.571 548 T HA 0.560 4.930 4.350 0.033 0.000 0.292 548 T C 0.309 174.953 174.700 -0.093 0.000 0.994 548 T CA 0.097 62.125 62.100 -0.120 0.000 0.996 548 T CB -1.174 67.627 68.868 -0.112 0.000 1.185 548 T HN 0.131 nan 8.240 nan 0.000 0.482 549 A N -0.597 122.210 122.820 -0.023 0.000 2.860 549 A HA -0.127 4.213 4.320 0.033 0.000 0.267 549 A C 1.658 179.423 177.584 0.303 0.000 1.421 549 A CA 1.256 53.376 52.037 0.137 0.000 0.831 549 A CB -2.147 16.843 19.000 -0.016 0.000 1.041 549 A HN 0.979 nan 8.150 nan 0.000 0.623 550 G N -1.214 107.702 108.800 0.193 0.000 2.776 550 G HA2 0.324 4.304 3.960 0.033 0.000 0.209 550 G HA3 0.324 4.304 3.960 0.033 0.000 0.209 550 G C 0.341 175.452 174.900 0.351 0.000 1.145 550 G CA 0.992 46.213 45.100 0.202 0.000 0.791 550 G HN 0.788 nan 8.290 nan 0.000 0.530 551 E N -0.851 119.615 120.200 0.443 0.000 2.314 551 E HA 0.549 4.919 4.350 0.033 0.000 0.272 551 E C -1.199 175.639 176.600 0.398 0.000 0.884 551 E CA -0.933 55.748 56.400 0.468 0.000 0.753 551 E CB 2.511 32.462 29.700 0.419 0.000 1.213 551 E HN 0.134 nan 8.360 nan 0.000 0.432 552 L N -1.304 120.066 121.223 0.246 0.000 2.350 552 L HA 1.012 5.372 4.340 0.033 0.000 0.260 552 L C -0.310 176.587 176.870 0.044 0.000 1.015 552 L CA -0.444 54.349 54.840 -0.079 0.000 0.821 552 L CB 2.128 43.846 42.059 -0.568 0.000 1.370 552 L HN 0.581 nan 8.230 nan 0.000 0.416 553 G N -1.187 107.627 108.800 0.024 0.000 2.646 553 G HA2 0.793 4.773 3.960 0.033 0.000 0.291 553 G HA3 0.793 4.773 3.960 0.033 0.000 0.291 553 G C -1.152 173.505 174.900 -0.405 0.000 1.445 553 G CA -0.233 44.794 45.100 -0.122 0.000 0.814 553 G HN 1.240 nan 8.290 nan 0.000 0.495 554 G N -0.925 107.228 108.800 -1.077 0.000 2.441 554 G HA2 0.707 4.687 3.960 0.033 0.000 0.294 554 G HA3 0.707 4.687 3.960 0.033 0.000 0.294 554 G C -1.494 172.742 174.900 -1.107 0.000 1.393 554 G CA 0.203 44.709 45.100 -0.990 0.000 0.796 554 G HN 1.160 nan 8.290 nan 0.000 0.494 555 Q N -1.239 118.319 119.800 -0.403 0.000 2.511 555 Q HA 0.793 5.153 4.340 0.033 0.000 0.289 555 Q C -1.903 174.202 176.000 0.175 0.000 1.021 555 Q CA -0.971 54.734 55.803 -0.162 0.000 0.785 555 Q CB 2.684 31.347 28.738 -0.125 0.000 1.472 555 Q HN 1.345 nan 8.270 nan 0.000 0.411 556 F N -1.404 118.608 119.950 0.104 0.000 2.686 556 F HA 0.774 5.318 4.527 0.029 0.000 0.311 556 F C -1.347 174.514 175.800 0.102 0.000 1.128 556 F CA -0.875 57.139 58.000 0.023 0.000 0.946 556 F CB 1.642 40.614 39.000 -0.047 0.000 1.336 556 F HN 0.798 nan 8.300 nan 0.000 0.457 557 H N -0.312 118.906 119.070 0.246 0.000 3.094 557 H HA 0.585 5.160 4.556 0.032 0.000 0.346 557 H C -2.320 173.163 175.328 0.259 0.000 1.238 557 H CA -0.682 55.481 56.048 0.192 0.000 1.209 557 H CB 1.979 31.835 29.762 0.157 0.000 1.911 557 H HN 1.059 nan 8.280 nan 0.000 0.540 558 H N 0.942 120.109 119.070 0.161 0.000 3.038 558 H HA 0.463 5.038 4.556 0.033 0.000 0.362 558 H C -1.500 173.885 175.328 0.095 0.000 1.167 558 H CA -0.609 55.504 56.048 0.108 0.000 1.197 558 H CB 2.199 31.994 29.762 0.055 0.000 1.840 558 H HN 0.741 nan 8.280 nan 0.000 0.540 559 K N 2.537 122.707 120.400 -0.382 0.000 2.345 559 K HA 0.699 5.039 4.320 0.033 0.000 0.255 559 K C -1.438 175.006 176.600 -0.261 0.000 0.934 559 K CA -0.229 55.924 56.287 -0.223 0.000 0.801 559 K CB 1.278 33.744 32.500 -0.056 0.000 1.137 559 K HN 0.699 nan 8.250 nan 0.000 0.424 560 S N 1.650 117.308 115.700 -0.069 0.000 2.672 560 S HA 0.531 5.021 4.470 0.033 0.000 0.271 560 S C -1.647 172.959 174.600 0.010 0.000 1.171 560 S CA -1.016 57.181 58.200 -0.003 0.000 0.817 560 S CB 1.205 64.460 63.200 0.091 0.000 1.150 560 S HN 0.469 nan 8.310 nan 0.000 0.478 561 D N 1.243 121.652 120.400 0.016 0.000 2.446 561 D HA 0.603 5.263 4.640 0.033 0.000 0.251 561 D C -1.087 175.217 176.300 0.005 0.000 1.137 561 D CA -0.181 53.825 54.000 0.011 0.000 0.890 561 D CB 0.836 41.645 40.800 0.014 0.000 1.071 561 D HN 0.387 nan 8.370 nan 0.000 0.528 562 N N 0.476 119.173 118.700 -0.004 0.000 2.402 562 N HA 0.819 5.579 4.740 0.033 0.000 0.294 562 N C -0.073 175.434 175.510 -0.006 0.000 1.203 562 N CA -0.681 52.368 53.050 -0.002 0.000 0.838 562 N CB 2.098 40.583 38.487 -0.003 0.000 1.306 562 N HN 0.389 nan 8.380 nan 0.000 0.510 563 G N -0.064 108.751 108.800 0.025 0.000 2.244 563 G HA2 0.115 4.095 3.960 0.033 0.000 0.236 563 G HA3 0.115 4.095 3.960 0.033 0.000 0.236 563 G C -1.054 174.037 174.900 0.319 0.000 1.632 563 G CA -0.385 44.766 45.100 0.085 0.000 1.231 563 G HN 0.679 nan 8.290 nan 0.000 0.635 564 S N -0.747 115.058 115.700 0.175 0.000 2.513 564 S HA 0.880 5.370 4.470 0.033 0.000 0.299 564 S C -0.451 174.075 174.600 -0.123 0.000 1.087 564 S CA -0.681 57.443 58.200 -0.128 0.000 1.012 564 S CB 2.969 65.680 63.200 -0.816 0.000 1.044 564 S HN 1.857 nan 8.310 nan 0.000 0.485 565 V N 1.362 121.189 119.914 -0.145 0.000 2.841 565 V HA 0.903 5.043 4.120 0.033 0.000 0.310 565 V C -0.247 175.988 176.094 0.236 0.000 1.090 565 V CA 0.009 62.342 62.300 0.055 0.000 0.930 565 V CB 1.854 33.606 31.823 -0.118 0.000 1.014 565 V HN 1.379 nan 8.190 nan 0.000 0.425 566 G N 4.295 113.290 108.800 0.325 0.000 2.683 566 G HA2 0.855 4.835 3.960 0.033 0.000 0.299 566 G HA3 0.855 4.835 3.960 0.033 0.000 0.299 566 G C -0.916 173.964 174.900 -0.033 0.000 1.432 566 G CA -0.022 45.207 45.100 0.214 0.000 0.978 566 G HN 1.476 nan 8.290 nan 0.000 0.513 567 A N 1.495 124.113 122.820 -0.335 0.000 2.455 567 A HA 0.871 5.211 4.320 0.033 0.000 0.300 567 A C -0.467 176.924 177.584 -0.322 0.000 1.040 567 A CA -0.589 51.208 52.037 -0.401 0.000 0.697 567 A CB 1.834 20.318 19.000 -0.860 0.000 1.265 567 A HN 2.032 nan 8.150 nan 0.000 0.407 568 V N -0.160 119.687 119.914 -0.112 0.000 2.823 568 V HA 1.006 5.146 4.120 0.033 0.000 0.312 568 V C -0.775 175.193 176.094 -0.210 0.000 1.072 568 V CA -0.985 61.177 62.300 -0.231 0.000 0.937 568 V CB 1.039 32.725 31.823 -0.229 0.000 1.013 568 V HN 1.460 nan 8.190 nan 0.000 0.430 569 F N 0.537 120.194 119.950 -0.488 0.000 2.631 569 F HA 1.038 5.580 4.527 0.026 0.000 0.308 569 F C -0.116 175.254 175.800 -0.717 0.000 1.097 569 F CA -0.500 57.140 58.000 -0.600 0.000 0.952 569 F CB 1.506 40.451 39.000 -0.091 0.000 1.307 569 F HN 0.968 nan 8.300 nan 0.000 0.450 570 G N 0.196 108.730 108.800 -0.443 0.000 2.660 570 G HA2 0.925 4.905 3.960 0.033 0.000 0.294 570 G HA3 0.925 4.905 3.960 0.033 0.000 0.294 570 G C -2.140 172.910 174.900 0.250 0.000 1.369 570 G CA -0.671 44.418 45.100 -0.019 0.000 0.912 570 G HN 1.493 nan 8.290 nan 0.000 0.479 571 A N 0.456 123.430 122.820 0.256 0.000 2.608 571 A HA 0.814 5.154 4.320 0.033 0.000 0.292 571 A C -1.120 176.693 177.584 0.383 0.000 1.066 571 A CA -0.710 51.521 52.037 0.323 0.000 0.676 571 A CB 1.933 21.122 19.000 0.316 0.000 1.277 571 A HN 0.723 nan 8.150 nan 0.000 0.413 572 K N 0.819 121.412 120.400 0.322 0.000 2.207 572 K HA 0.497 4.837 4.320 0.033 0.000 0.255 572 K C -0.045 176.542 176.600 -0.023 0.000 0.941 572 K CA -0.731 55.688 56.287 0.219 0.000 0.825 572 K CB 1.485 34.087 32.500 0.171 0.000 1.119 572 K HN 0.785 nan 8.250 nan 0.000 0.430 573 R N 2.716 123.029 120.500 -0.312 0.000 2.570 573 R HA -0.011 4.349 4.340 0.033 0.000 0.277 573 R C -0.196 175.924 176.300 -0.300 0.000 1.039 573 R CA 0.294 55.944 56.100 -0.749 0.000 1.065 573 R CB 0.592 30.477 30.300 -0.691 0.000 0.964 573 R HN 0.525 nan 8.270 nan 0.000 0.428 574 Q N 3.518 123.148 119.800 -0.283 0.000 2.207 574 Q HA 0.507 4.867 4.340 0.033 0.000 0.237 574 Q C 0.274 176.235 176.000 -0.066 0.000 0.998 574 Q CA -0.664 55.038 55.803 -0.169 0.000 0.951 574 Q CB 1.430 29.978 28.738 -0.317 0.000 1.213 574 Q HN 0.683 nan 8.270 nan 0.000 0.499 575 I N 0.000 120.554 120.570 -0.027 0.000 2.984 575 I HA 0.000 4.190 4.170 0.033 0.000 0.288 575 I CA 0.000 61.328 61.300 0.047 0.000 1.566 575 I CB 0.000 38.034 38.000 0.057 0.000 1.214 575 I HN 0.000 nan 8.210 nan 0.000 0.494