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 2zz0_1_A DATA FIRST_RESID 9 DATA SEQUENCE KSYDYDLIII GGGSGGLAAA KEAAQYGKKV MVLDFVTPTP LGTRWGLGGT DATA SEQUENCE cVNVGcIPKK LMHQAALLGQ ALQDSRNYGW KVEETVKHDW DRMIEAVQNH DATA SEQUENCE IGSLNWGYRV ALREKKVVYE NAYGQFIGPH RIKATNNKGK EKIYSAERFL DATA SEQUENCE IATGERPRYL GIPGDKEYCI SSDDLFSLPY CPGKTLVVGA SYVALECAGF DATA SEQUENCE LAGIGLDVTV MVRSILLRGF DQDMANKIGE HMEEHGIKFI RQFVPIKVEQ DATA SEQUENCE IEAGTPGRLR VVAQSTNSEE IIEGEYNTVM LAIGRDACTR KIGLETVGVK DATA SEQUENCE INEKTGKIPV TDEEQTNVPY IYAIGDILED KVELTPVAIQ AGRLLAQRLY DATA SEQUENCE AGSTVKCDYE NVPTTVFTPL EYGACGLSEE KAVEKFGEEN IEVYHSYFWP DATA SEQUENCE LEWTIPSRDN NKCYAKIICN TKDNERVVGF HVLGPNAGEV TQGFAAALKC DATA SEQUENCE GLTKKQLDST IGIHPVCAEV FTTLSVTKRS GASILQAGCC G 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.370 176.600 -0.383 0.000 0.988 9 K CA 0.000 56.054 56.287 -0.389 0.000 0.838 9 K CB 0.000 32.452 32.500 -0.081 0.000 1.064 10 S N 1.330 116.765 115.700 -0.441 0.000 3.489 10 S HA 0.344 4.814 4.470 -0.000 0.000 0.227 10 S C -0.627 173.837 174.600 -0.226 0.000 1.360 10 S CA -0.606 57.455 58.200 -0.232 0.000 0.934 10 S CB -0.289 62.819 63.200 -0.153 0.000 1.410 10 S HN 0.197 nan 8.310 nan 0.000 0.483 11 Y N 1.116 121.426 120.300 0.017 0.000 2.374 11 Y HA 0.376 4.926 4.550 -0.000 0.000 0.322 11 Y C 1.575 177.483 175.900 0.013 0.000 1.275 11 Y CA -1.012 57.122 58.100 0.056 0.000 1.307 11 Y CB 0.542 39.071 38.460 0.114 0.000 1.282 11 Y HN 0.357 nan 8.280 nan 0.000 0.509 12 D N -0.141 120.398 120.400 0.232 0.000 2.183 12 D HA -0.092 4.548 4.640 -0.000 0.000 0.203 12 D C -0.723 175.331 176.300 -0.411 0.000 0.969 12 D CA 1.566 55.546 54.000 -0.033 0.000 0.842 12 D CB 0.169 41.057 40.800 0.146 0.000 0.957 12 D HN 0.428 nan 8.370 nan 0.000 0.484 13 Y N -0.662 119.690 120.300 0.087 0.000 2.588 13 Y HA 0.201 4.751 4.550 -0.000 0.000 0.343 13 Y C 0.869 176.749 175.900 -0.033 0.000 1.065 13 Y CA -1.035 57.057 58.100 -0.013 0.000 1.038 13 Y CB 1.400 39.800 38.460 -0.100 0.000 1.297 13 Y HN -0.317 nan 8.280 nan 0.000 0.467 14 D N 0.691 121.148 120.400 0.096 0.000 2.234 14 D HA 0.012 4.652 4.640 -0.000 0.000 0.205 14 D C -0.438 175.861 176.300 -0.001 0.000 0.962 14 D CA 1.435 55.450 54.000 0.024 0.000 0.855 14 D CB 0.718 41.470 40.800 -0.080 0.000 0.951 14 D HN 0.198 nan 8.370 nan 0.000 0.500 15 L N 0.739 121.937 121.223 -0.041 0.000 2.565 15 L HA 0.324 4.664 4.340 -0.000 0.000 0.261 15 L C -1.892 174.810 176.870 -0.279 0.000 0.932 15 L CA -0.444 54.318 54.840 -0.131 0.000 0.878 15 L CB 2.503 44.555 42.059 -0.012 0.000 1.333 15 L HN -0.286 nan 8.230 nan 0.000 0.409 16 I N 5.607 125.870 120.570 -0.511 0.000 2.474 16 I HA 0.468 4.638 4.170 -0.000 0.000 0.294 16 I C -0.635 175.330 176.117 -0.254 0.000 1.005 16 I CA -0.449 60.551 61.300 -0.499 0.000 1.113 16 I CB 1.998 39.587 38.000 -0.685 0.000 1.289 16 I HN 0.563 nan 8.210 nan 0.000 0.436 17 I N 6.684 127.164 120.570 -0.149 0.000 2.389 17 I HA 0.346 4.516 4.170 -0.000 0.000 0.288 17 I C -0.428 175.668 176.117 -0.034 0.000 0.999 17 I CA -0.510 60.764 61.300 -0.043 0.000 1.129 17 I CB 1.717 39.690 38.000 -0.045 0.000 1.288 17 I HN 0.305 nan 8.210 nan 0.000 0.444 18 I N 5.778 126.350 120.570 0.002 0.000 2.315 18 I HA 0.710 4.880 4.170 -0.000 0.000 0.291 18 I C 0.621 176.719 176.117 -0.031 0.000 1.006 18 I CA -0.284 60.988 61.300 -0.046 0.000 1.265 18 I CB 0.916 38.855 38.000 -0.101 0.000 1.387 18 I HN 0.744 nan 8.210 nan 0.000 0.475 19 G N 3.564 112.345 108.800 -0.033 0.000 3.448 19 G HA2 0.136 4.096 3.960 -0.000 0.000 0.685 19 G HA3 0.136 4.096 3.960 -0.000 0.000 0.685 19 G C -0.062 174.834 174.900 -0.008 0.000 1.151 19 G CA -0.602 44.490 45.100 -0.014 0.000 1.023 19 G HN 1.111 nan 8.290 nan 0.000 0.499 20 G N 0.926 109.726 108.800 -0.000 0.000 3.939 20 G HA2 0.689 4.648 3.960 -0.000 0.000 0.268 20 G HA3 0.689 4.648 3.960 -0.000 0.000 0.268 20 G C 0.788 175.628 174.900 -0.100 0.000 1.172 20 G CA 0.797 45.873 45.100 -0.041 0.000 1.614 20 G HN 1.243 nan 8.290 nan 0.000 0.639 21 G N 0.047 108.802 108.800 -0.076 0.000 3.008 21 G HA2 0.426 4.386 3.960 -0.000 0.000 0.181 21 G HA3 0.426 4.386 3.960 -0.000 0.000 0.181 21 G C 1.160 175.995 174.900 -0.109 0.000 1.309 21 G CA 0.317 45.359 45.100 -0.096 0.000 1.009 21 G HN 0.204 nan 8.290 nan 0.000 0.584 22 S N -0.117 115.542 115.700 -0.069 0.000 2.378 22 S HA -0.145 4.325 4.470 -0.000 0.000 0.221 22 S C 2.485 177.077 174.600 -0.012 0.000 1.037 22 S CA 1.954 60.133 58.200 -0.037 0.000 1.069 22 S CB -0.954 62.246 63.200 0.000 0.000 1.006 22 S HN 0.806 nan 8.310 nan 0.000 0.423 23 G N 0.842 109.647 108.800 0.008 0.000 2.422 23 G HA2 0.004 3.964 3.960 -0.000 0.000 0.218 23 G HA3 0.004 3.964 3.960 -0.000 0.000 0.218 23 G C 1.399 176.302 174.900 0.004 0.000 1.146 23 G CA 1.019 46.129 45.100 0.018 0.000 0.769 23 G HN 0.576 nan 8.290 nan 0.000 0.547 24 G N 1.291 110.087 108.800 -0.007 0.000 2.545 24 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 24 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 24 G C 1.774 176.657 174.900 -0.028 0.000 1.218 24 G CA 0.903 45.994 45.100 -0.015 0.000 0.787 24 G HN 0.403 nan 8.290 nan 0.000 0.571 25 L N 0.895 122.089 121.223 -0.049 0.000 2.127 25 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 25 L C 3.394 180.260 176.870 -0.007 0.000 1.089 25 L CA 0.903 55.722 54.840 -0.035 0.000 0.757 25 L CB -0.442 41.584 42.059 -0.056 0.000 0.899 25 L HN 0.342 nan 8.230 nan 0.000 0.434 26 A N 0.254 123.072 122.820 -0.002 0.000 1.845 26 A HA -0.162 4.157 4.320 -0.000 0.000 0.215 26 A C 2.580 180.151 177.584 -0.021 0.000 1.195 26 A CA 1.753 53.788 52.037 -0.003 0.000 0.616 26 A CB -0.833 18.169 19.000 0.003 0.000 0.832 26 A HN 0.369 nan 8.150 nan 0.000 0.443 27 A N -0.164 122.647 122.820 -0.016 0.000 1.908 27 A HA 0.118 4.437 4.320 -0.000 0.000 0.218 27 A C 2.517 180.084 177.584 -0.028 0.000 1.181 27 A CA 2.323 54.351 52.037 -0.016 0.000 0.627 27 A CB -1.133 17.867 19.000 0.000 0.000 0.818 27 A HN 1.128 nan 8.150 nan 0.000 0.445 28 A N -0.111 122.689 122.820 -0.034 0.000 1.859 28 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 28 A C 2.119 179.660 177.584 -0.073 0.000 1.198 28 A CA 2.281 54.288 52.037 -0.051 0.000 0.629 28 A CB -0.553 18.418 19.000 -0.050 0.000 0.830 28 A HN 0.511 nan 8.150 nan 0.000 0.446 29 K N -0.854 119.504 120.400 -0.069 0.000 2.057 29 K HA -0.142 4.177 4.320 -0.000 0.000 0.207 29 K C 2.167 178.680 176.600 -0.145 0.000 1.049 29 K CA 1.546 57.778 56.287 -0.092 0.000 0.931 29 K CB -0.135 32.324 32.500 -0.068 0.000 0.714 29 K HN 0.502 nan 8.250 nan 0.000 0.440 30 E N 0.678 120.791 120.200 -0.145 0.000 2.051 30 E HA -0.147 4.202 4.350 -0.000 0.000 0.192 30 E C 1.778 178.138 176.600 -0.400 0.000 0.991 30 E CA 1.613 57.866 56.400 -0.244 0.000 0.799 30 E CB -0.260 29.355 29.700 -0.141 0.000 0.748 30 E HN 0.295 nan 8.360 nan 0.000 0.449 31 A N 0.715 123.416 122.820 -0.198 0.000 1.902 31 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 31 A C 2.437 179.872 177.584 -0.248 0.000 1.181 31 A CA 2.215 54.170 52.037 -0.137 0.000 0.623 31 A CB -1.065 17.935 19.000 -0.001 0.000 0.818 31 A HN 0.374 nan 8.150 nan 0.000 0.443 32 A N -0.964 121.736 122.820 -0.200 0.000 1.972 32 A HA -0.234 4.085 4.320 -0.000 0.000 0.219 32 A C 2.149 179.633 177.584 -0.167 0.000 1.169 32 A CA 1.747 53.689 52.037 -0.159 0.000 0.635 32 A CB -0.576 18.355 19.000 -0.115 0.000 0.810 32 A HN 0.671 nan 8.150 nan 0.000 0.446 33 Q N -1.305 118.339 119.800 -0.260 0.000 2.234 33 Q HA -0.158 4.181 4.340 -0.000 0.000 0.206 33 Q C 0.564 176.519 176.000 -0.074 0.000 0.980 33 Q CA 1.379 57.050 55.803 -0.219 0.000 0.869 33 Q CB -0.168 28.376 28.738 -0.323 0.000 0.912 33 Q HN 0.875 nan 8.270 nan 0.000 0.436 34 Y N -0.848 119.446 120.300 -0.010 0.000 2.583 34 Y HA 0.253 4.803 4.550 -0.000 0.000 0.294 34 Y C 1.049 176.923 175.900 -0.043 0.000 1.170 34 Y CA -0.397 57.701 58.100 -0.003 0.000 1.265 34 Y CB 0.469 38.962 38.460 0.054 0.000 1.119 34 Y HN 0.221 nan 8.280 nan 0.000 0.522 35 G N 1.417 110.240 108.800 0.038 0.000 2.338 35 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.296 35 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.296 35 G C -0.173 174.691 174.900 -0.060 0.000 1.040 35 G CA -0.117 44.978 45.100 -0.009 0.000 1.004 35 G HN 0.149 nan 8.290 nan 0.000 0.509 36 K N -0.344 119.974 120.400 -0.137 0.000 2.166 36 K HA 0.438 4.758 4.320 -0.000 0.000 0.245 36 K C 0.400 176.924 176.600 -0.127 0.000 0.967 36 K CA -0.889 55.273 56.287 -0.209 0.000 0.863 36 K CB 1.493 33.684 32.500 -0.515 0.000 1.107 36 K HN 0.224 nan 8.250 nan 0.000 0.436 37 K N 1.346 121.702 120.400 -0.074 0.000 2.285 37 K HA 0.255 4.574 4.320 -0.000 0.000 0.286 37 K C -0.753 175.902 176.600 0.092 0.000 1.072 37 K CA -0.269 56.033 56.287 0.024 0.000 0.913 37 K CB 0.972 33.480 32.500 0.014 0.000 1.067 37 K HN 0.195 nan 8.250 nan 0.000 0.479 38 V N 5.228 125.182 119.914 0.067 0.000 2.823 38 V HA 0.525 4.644 4.120 -0.000 0.000 0.312 38 V C -1.029 174.977 176.094 -0.147 0.000 1.072 38 V CA -0.860 61.419 62.300 -0.035 0.000 0.937 38 V CB 2.065 33.834 31.823 -0.091 0.000 1.013 38 V HN 0.800 nan 8.190 nan 0.000 0.430 39 M N 5.834 125.197 119.600 -0.395 0.000 2.464 39 M HA 0.705 5.185 4.480 -0.000 0.000 0.308 39 M C -1.959 174.144 176.300 -0.328 0.000 1.127 39 M CA -0.652 54.326 55.300 -0.536 0.000 0.913 39 M CB 1.992 33.849 32.600 -1.239 0.000 1.689 39 M HN 0.501 nan 8.290 nan 0.000 0.445 40 V N 4.186 123.989 119.914 -0.185 0.000 2.487 40 V HA 0.550 4.670 4.120 -0.000 0.000 0.298 40 V C -0.790 175.298 176.094 -0.011 0.000 1.028 40 V CA -0.774 61.484 62.300 -0.071 0.000 0.860 40 V CB 1.456 33.285 31.823 0.008 0.000 0.991 40 V HN 0.799 nan 8.190 nan 0.000 0.427 41 L N 3.757 124.955 121.223 -0.041 0.000 2.296 41 L HA 0.728 5.068 4.340 -0.000 0.000 0.286 41 L C -0.753 176.144 176.870 0.045 0.000 1.023 41 L CA -0.028 54.796 54.840 -0.027 0.000 0.812 41 L CB 1.691 43.708 42.059 -0.069 0.000 1.223 41 L HN 0.840 nan 8.230 nan 0.000 0.421 42 D N 2.542 123.022 120.400 0.134 0.000 2.863 42 D HA 0.532 5.172 4.640 -0.000 0.000 0.245 42 D C -1.616 174.802 176.300 0.196 0.000 1.211 42 D CA -0.238 53.858 54.000 0.161 0.000 0.888 42 D CB 1.623 42.559 40.800 0.226 0.000 1.483 42 D HN 0.209 nan 8.370 nan 0.000 0.533 43 F N 3.727 123.672 119.950 -0.008 0.000 2.588 43 F HA 0.618 5.145 4.527 -0.000 0.000 0.310 43 F C -1.636 174.145 175.800 -0.031 0.000 1.082 43 F CA -0.776 57.225 58.000 0.002 0.000 0.929 43 F CB 1.967 41.002 39.000 0.057 0.000 1.254 43 F HN 0.174 nan 8.300 nan 0.000 0.455 44 V N 3.931 123.231 119.914 -1.023 0.000 2.304 44 V HA 0.260 4.380 4.120 -0.000 0.000 0.278 44 V C -0.307 175.303 176.094 -0.806 0.000 1.018 44 V CA -0.593 61.237 62.300 -0.783 0.000 0.814 44 V CB 1.399 32.669 31.823 -0.922 0.000 1.021 44 V HN 0.838 nan 8.190 nan 0.000 0.440 45 T N 4.366 118.756 114.554 -0.273 0.000 2.752 45 T HA 0.405 4.755 4.350 -0.000 0.000 0.295 45 T C -1.964 172.638 174.700 -0.163 0.000 0.923 45 T CA -1.259 60.827 62.100 -0.023 0.000 1.112 45 T CB 0.790 69.775 68.868 0.196 0.000 0.884 45 T HN 0.368 nan 8.240 nan 0.000 0.525 46 P HA 0.072 nan 4.420 nan 0.000 0.270 46 P C 0.385 177.661 177.300 -0.039 0.000 1.216 46 P CA -0.075 62.941 63.100 -0.141 0.000 0.788 46 P CB 0.264 31.922 31.700 -0.071 0.000 0.883 47 T N -1.756 112.809 114.554 0.018 0.000 2.913 47 T HA 0.270 4.619 4.350 -0.000 0.000 0.287 47 T C -1.933 172.815 174.700 0.079 0.000 1.008 47 T CA -1.841 60.326 62.100 0.111 0.000 1.067 47 T CB 0.637 69.622 68.868 0.194 0.000 0.996 47 T HN 0.157 nan 8.240 nan 0.000 0.513 48 P HA -0.092 nan 4.420 nan 0.000 0.218 48 P C 0.992 178.304 177.300 0.019 0.000 1.147 48 P CA 1.048 64.151 63.100 0.006 0.000 0.827 48 P CB -0.111 31.553 31.700 -0.060 0.000 0.778 49 L N -3.399 117.863 121.223 0.065 0.000 2.592 49 L HA 0.297 4.636 4.340 -0.000 0.000 0.227 49 L C 1.421 178.327 176.870 0.061 0.000 1.127 49 L CA 0.694 55.571 54.840 0.062 0.000 0.884 49 L CB -0.706 41.409 42.059 0.093 0.000 1.065 49 L HN 0.045 nan 8.230 nan 0.000 0.457 50 G N -0.006 108.827 108.800 0.055 0.000 2.142 50 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.225 50 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.225 50 G C 0.157 175.087 174.900 0.051 0.000 1.015 50 G CA 0.079 45.203 45.100 0.040 0.000 0.716 50 G HN 0.233 nan 8.290 nan 0.000 0.508 51 T N 0.325 114.932 114.554 0.089 0.000 2.856 51 T HA 0.692 5.042 4.350 -0.000 0.000 0.292 51 T C 0.510 175.238 174.700 0.047 0.000 0.980 51 T CA 0.209 62.397 62.100 0.147 0.000 1.091 51 T CB 1.490 70.521 68.868 0.272 0.000 0.936 51 T HN 0.914 nan 8.240 nan 0.000 0.503 52 R N 0.541 121.061 120.500 0.033 0.000 2.831 52 R HA 0.857 5.197 4.340 -0.000 0.000 0.266 52 R C -1.784 174.539 176.300 0.039 0.000 1.051 52 R CA -1.331 54.589 56.100 -0.301 0.000 0.943 52 R CB 1.513 31.616 30.300 -0.330 0.000 1.228 52 R HN 0.743 nan 8.270 nan 0.000 0.467 53 W N -1.375 119.906 121.300 -0.032 0.000 3.005 53 W HA 0.730 5.390 4.660 -0.000 0.000 0.343 53 W C -0.514 175.988 176.519 -0.028 0.000 1.243 53 W CA -1.160 56.178 57.345 -0.012 0.000 1.186 53 W CB 0.096 29.562 29.460 0.010 0.000 1.453 53 W HN 0.849 nan 8.180 nan 0.000 0.575 54 G N 0.700 109.667 108.800 0.279 0.000 2.570 54 G HA2 0.353 4.313 3.960 -0.000 0.000 0.276 54 G HA3 0.353 4.313 3.960 -0.000 0.000 0.276 54 G C -0.793 174.202 174.900 0.159 0.000 1.346 54 G CA -0.759 44.441 45.100 0.166 0.000 1.034 54 G HN 0.838 nan 8.290 nan 0.000 0.512 55 L N 0.004 121.270 121.223 0.072 0.000 2.483 55 L HA 0.468 4.808 4.340 -0.000 0.000 0.276 55 L C 1.330 178.133 176.870 -0.112 0.000 1.213 55 L CA 2.016 56.833 54.840 -0.040 0.000 0.843 55 L CB 0.887 42.828 42.059 -0.195 0.000 1.107 55 L HN 1.159 nan 8.230 nan 0.000 0.487 56 G N 1.351 110.001 108.800 -0.251 0.000 3.709 56 G HA2 0.385 4.344 3.960 -0.000 0.000 0.196 56 G HA3 0.385 4.344 3.960 -0.000 0.000 0.196 56 G C 0.581 175.318 174.900 -0.271 0.000 1.177 56 G CA 0.184 45.015 45.100 -0.450 0.000 0.906 56 G HN 1.918 nan 8.290 nan 0.000 0.416 57 G N -1.434 107.333 108.800 -0.056 0.000 2.422 57 G HA2 0.299 4.259 3.960 -0.000 0.000 0.607 57 G HA3 0.299 4.259 3.960 -0.000 0.000 0.607 57 G C 0.556 175.477 174.900 0.035 0.000 1.270 57 G CA 0.583 45.686 45.100 0.005 0.000 0.992 57 G HN 1.023 nan 8.290 nan 0.000 0.499 58 T N -0.471 114.112 114.554 0.048 0.000 2.674 58 T HA -0.177 4.173 4.350 -0.000 0.000 0.265 58 T C 2.504 177.165 174.700 -0.065 0.000 1.039 58 T CA 2.688 64.797 62.100 0.015 0.000 1.150 58 T CB -0.561 68.348 68.868 0.070 0.000 0.864 58 T HN 1.028 nan 8.240 nan 0.000 0.427 59 c N 1.139 119.716 118.600 -0.039 0.000 2.401 59 c HA -0.071 4.499 4.570 -0.000 0.000 0.276 59 c C 2.759 176.781 174.090 -0.114 0.000 1.233 59 c CA 0.779 57.073 56.329 -0.058 0.000 1.753 59 c CB -1.209 41.287 42.510 -0.022 0.000 2.029 59 c HN 0.383 nan 8.230 nan 0.000 0.478 60 V N 1.707 121.554 119.914 -0.113 0.000 2.453 60 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 60 V C 2.067 178.060 176.094 -0.169 0.000 1.048 60 V CA 2.315 64.551 62.300 -0.107 0.000 1.049 60 V CB -0.573 31.201 31.823 -0.083 0.000 0.672 60 V HN 0.635 nan 8.190 nan 0.000 0.457 61 N N -0.141 118.404 118.700 -0.258 0.000 2.407 61 N HA 0.047 4.787 4.740 -0.000 0.000 0.182 61 N C 0.998 176.218 175.510 -0.485 0.000 1.079 61 N CA 1.358 54.173 53.050 -0.392 0.000 0.882 61 N CB 1.444 39.554 38.487 -0.629 0.000 1.106 61 N HN 0.543 nan 8.380 nan 0.000 0.461 62 V N -3.374 116.273 119.914 -0.444 0.000 3.265 62 V HA 0.598 4.718 4.120 -0.000 0.000 0.346 62 V C 0.492 176.603 176.094 0.029 0.000 1.447 62 V CA -0.316 61.892 62.300 -0.152 0.000 1.179 62 V CB 0.463 31.976 31.823 -0.517 0.000 1.103 62 V HN 0.121 nan 8.190 nan 0.000 0.530 63 G N -0.077 108.598 108.800 -0.208 0.000 3.377 63 G HA2 0.275 4.235 3.960 -0.000 0.000 0.182 63 G HA3 0.275 4.235 3.960 -0.000 0.000 0.182 63 G C 0.996 175.767 174.900 -0.215 0.000 1.166 63 G CA 0.599 45.647 45.100 -0.087 0.000 0.771 63 G HN 0.249 nan 8.290 nan 0.000 0.701 64 c N 0.965 119.508 118.600 -0.094 0.000 2.318 64 c HA -0.152 4.417 4.570 -0.000 0.000 0.272 64 c C 2.785 176.728 174.090 -0.244 0.000 1.156 64 c CA 0.833 57.090 56.329 -0.121 0.000 1.783 64 c CB -1.507 40.964 42.510 -0.065 0.000 2.023 64 c HN 0.441 nan 8.230 nan 0.000 0.437 65 I N 2.603 123.039 120.570 -0.222 0.000 2.087 65 I HA -0.157 4.013 4.170 -0.000 0.000 0.240 65 I C 0.230 176.140 176.117 -0.346 0.000 1.054 65 I CA 2.199 63.366 61.300 -0.222 0.000 1.311 65 I CB -2.928 34.998 38.000 -0.124 0.000 1.024 65 I HN 0.319 nan 8.210 nan 0.000 0.402 66 P HA -0.164 nan 4.420 nan 0.000 0.220 66 P C 1.655 178.486 177.300 -0.782 0.000 1.152 66 P CA 1.342 64.022 63.100 -0.699 0.000 0.812 66 P CB -0.091 31.023 31.700 -0.976 0.000 0.792 67 K N 1.547 121.455 120.400 -0.820 0.000 2.009 67 K HA -0.197 4.122 4.320 -0.000 0.000 0.210 67 K C 2.181 178.571 176.600 -0.351 0.000 1.049 67 K CA 1.949 57.992 56.287 -0.406 0.000 0.929 67 K CB -0.569 31.887 32.500 -0.074 0.000 0.714 67 K HN -0.075 nan 8.250 nan 0.000 0.440 68 K N 0.740 120.934 120.400 -0.342 0.000 2.026 68 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 68 K C 2.355 178.795 176.600 -0.267 0.000 1.048 68 K CA 1.246 57.336 56.287 -0.328 0.000 0.929 68 K CB -0.275 31.953 32.500 -0.453 0.000 0.713 68 K HN 0.165 nan 8.250 nan 0.000 0.439 69 L N 0.197 121.233 121.223 -0.312 0.000 2.081 69 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 69 L C 2.480 179.176 176.870 -0.290 0.000 1.080 69 L CA 1.471 56.142 54.840 -0.283 0.000 0.754 69 L CB -0.335 41.555 42.059 -0.280 0.000 0.893 69 L HN 0.302 nan 8.230 nan 0.000 0.433 70 M N -1.867 117.481 119.600 -0.421 0.000 2.288 70 M HA -0.153 4.326 4.480 -0.000 0.000 0.266 70 M C 2.320 178.458 176.300 -0.270 0.000 1.072 70 M CA 1.029 56.045 55.300 -0.473 0.000 1.132 70 M CB -0.495 31.516 32.600 -0.981 0.000 1.386 70 M HN 0.248 nan 8.290 nan 0.000 0.432 71 H N 0.705 119.580 119.070 -0.325 0.000 2.387 71 H HA -0.199 4.357 4.556 -0.000 0.000 0.299 71 H C 1.972 177.279 175.328 -0.036 0.000 1.099 71 H CA 2.107 58.125 56.048 -0.050 0.000 1.315 71 H CB -0.093 29.665 29.762 -0.008 0.000 1.380 71 H HN 0.274 nan 8.280 nan 0.000 0.513 72 Q N 0.536 120.223 119.800 -0.189 0.000 2.079 72 Q HA 0.020 4.360 4.340 -0.000 0.000 0.200 72 Q C 2.409 178.317 176.000 -0.154 0.000 0.974 72 Q CA 1.906 57.572 55.803 -0.229 0.000 0.840 72 Q CB -0.849 27.773 28.738 -0.194 0.000 0.898 72 Q HN 0.518 nan 8.270 nan 0.000 0.430 73 A N 0.162 122.908 122.820 -0.123 0.000 1.972 73 A HA -0.003 4.316 4.320 -0.000 0.000 0.219 73 A C 2.218 179.760 177.584 -0.070 0.000 1.169 73 A CA 1.789 53.776 52.037 -0.082 0.000 0.635 73 A CB -0.921 18.037 19.000 -0.069 0.000 0.810 73 A HN 0.508 nan 8.150 nan 0.000 0.446 74 A N -0.466 122.332 122.820 -0.035 0.000 1.930 74 A HA 0.141 4.461 4.320 -0.000 0.000 0.215 74 A C 2.109 179.686 177.584 -0.010 0.000 1.176 74 A CA 1.100 53.147 52.037 0.016 0.000 0.632 74 A CB -0.435 18.656 19.000 0.152 0.000 0.819 74 A HN 0.445 nan 8.150 nan 0.000 0.445 75 L N -0.580 120.598 121.223 -0.076 0.000 2.027 75 L HA -0.153 4.186 4.340 -0.000 0.000 0.206 75 L C 2.426 179.264 176.870 -0.052 0.000 1.074 75 L CA 1.076 55.867 54.840 -0.082 0.000 0.745 75 L CB -0.570 41.381 42.059 -0.181 0.000 0.898 75 L HN 0.340 nan 8.230 nan 0.000 0.433 76 L N -0.377 120.806 121.223 -0.066 0.000 2.261 76 L HA -0.151 4.189 4.340 -0.000 0.000 0.216 76 L C 2.560 179.412 176.870 -0.030 0.000 1.114 76 L CA 1.088 55.896 54.840 -0.053 0.000 0.777 76 L CB -0.976 41.047 42.059 -0.059 0.000 0.910 76 L HN 0.326 nan 8.230 nan 0.000 0.440 77 G N -0.900 107.889 108.800 -0.018 0.000 2.404 77 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.215 77 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.215 77 G C 1.491 176.396 174.900 0.007 0.000 1.174 77 G CA 0.541 45.642 45.100 0.001 0.000 0.780 77 G HN 0.351 nan 8.290 nan 0.000 0.537 78 Q N 0.138 119.941 119.800 0.006 0.000 2.124 78 Q HA 0.042 4.382 4.340 -0.000 0.000 0.202 78 Q C 2.720 178.727 176.000 0.012 0.000 0.977 78 Q CA 1.543 57.352 55.803 0.010 0.000 0.850 78 Q CB -0.311 28.427 28.738 0.001 0.000 0.901 78 Q HN 0.409 nan 8.270 nan 0.000 0.429 79 A N 0.349 123.167 122.820 -0.004 0.000 1.972 79 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 79 A C 1.970 179.547 177.584 -0.013 0.000 1.169 79 A CA 1.141 53.170 52.037 -0.013 0.000 0.635 79 A CB -0.634 18.336 19.000 -0.050 0.000 0.810 79 A HN 0.460 nan 8.150 nan 0.000 0.446 80 L N -1.309 119.907 121.223 -0.012 0.000 2.083 80 L HA -0.248 4.092 4.340 -0.000 0.000 0.209 80 L C 2.856 179.750 176.870 0.041 0.000 1.083 80 L CA 1.655 56.494 54.840 -0.003 0.000 0.752 80 L CB -0.525 41.536 42.059 0.003 0.000 0.899 80 L HN 0.454 nan 8.230 nan 0.000 0.433 81 Q N -0.246 119.584 119.800 0.049 0.000 2.046 81 Q HA -0.195 4.145 4.340 -0.000 0.000 0.200 81 Q C 1.868 177.933 176.000 0.108 0.000 0.975 81 Q CA 1.548 57.393 55.803 0.070 0.000 0.836 81 Q CB 0.067 28.837 28.738 0.053 0.000 0.896 81 Q HN 0.384 nan 8.270 nan 0.000 0.428 82 D N -0.367 120.102 120.400 0.114 0.000 2.182 82 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 82 D C 1.964 178.438 176.300 0.289 0.000 0.986 82 D CA 1.527 55.645 54.000 0.197 0.000 0.847 82 D CB -0.284 40.623 40.800 0.178 0.000 0.942 82 D HN 0.263 nan 8.370 nan 0.000 0.467 83 S N 0.434 116.259 115.700 0.209 0.000 2.442 83 S HA -0.114 4.356 4.470 -0.000 0.000 0.236 83 S C 1.809 176.664 174.600 0.425 0.000 1.007 83 S CA 0.343 58.741 58.200 0.329 0.000 0.965 83 S CB -0.105 63.170 63.200 0.124 0.000 0.773 83 S HN 0.174 nan 8.310 nan 0.000 0.504 84 R N 2.501 123.166 120.500 0.275 0.000 2.082 84 R HA -0.041 4.299 4.340 -0.000 0.000 0.234 84 R C 1.764 178.174 176.300 0.182 0.000 1.136 84 R CA 1.812 58.039 56.100 0.212 0.000 0.935 84 R CB -1.372 29.011 30.300 0.138 0.000 0.842 84 R HN 0.522 nan 8.270 nan 0.000 0.430 85 N N 0.368 119.166 118.700 0.164 0.000 2.289 85 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 85 N C 1.236 176.768 175.510 0.036 0.000 1.016 85 N CA 0.937 54.027 53.050 0.065 0.000 0.872 85 N CB -0.366 38.124 38.487 0.004 0.000 0.973 85 N HN 0.316 nan 8.380 nan 0.000 0.433 86 Y N -0.425 119.935 120.300 0.101 0.000 2.502 86 Y HA 0.208 4.758 4.550 0.000 0.000 0.295 86 Y C 1.654 177.516 175.900 -0.064 0.000 1.193 86 Y CA 0.244 58.383 58.100 0.065 0.000 1.295 86 Y CB 0.099 38.660 38.460 0.169 0.000 1.059 86 Y HN 0.169 nan 8.280 nan 0.000 0.514 87 G N -1.774 107.064 108.800 0.063 0.000 2.179 87 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.220 87 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.220 87 G C -0.232 174.564 174.900 -0.173 0.000 0.990 87 G CA -0.604 44.431 45.100 -0.109 0.000 0.646 87 G HN 0.283 nan 8.290 nan 0.000 0.517 88 W N 1.143 122.492 121.300 0.081 0.000 2.287 88 W HA 0.672 5.334 4.660 0.003 0.000 0.313 88 W C 0.508 177.054 176.519 0.046 0.000 1.267 88 W CA -0.755 56.622 57.345 0.055 0.000 1.201 88 W CB 0.798 30.288 29.460 0.050 0.000 1.196 88 W HN -0.143 nan 8.180 nan 0.000 0.536 89 K N 2.969 123.529 120.400 0.267 0.000 2.155 89 K HA 0.243 4.563 4.320 -0.000 0.000 0.240 89 K C -0.713 175.980 176.600 0.155 0.000 1.193 89 K CA -0.135 56.248 56.287 0.161 0.000 1.104 89 K CB -0.406 32.158 32.500 0.107 0.000 1.558 89 K HN 0.186 nan 8.250 nan 0.000 0.313 90 V N 2.138 122.142 119.914 0.151 0.000 2.667 90 V HA 0.258 4.378 4.120 -0.000 0.000 0.308 90 V C 0.462 176.604 176.094 0.080 0.000 1.048 90 V CA -1.113 61.251 62.300 0.107 0.000 0.928 90 V CB 1.777 33.663 31.823 0.103 0.000 1.004 90 V HN 0.464 nan 8.190 nan 0.000 0.444 91 E N 1.882 122.118 120.200 0.061 0.000 2.425 91 E HA 0.033 4.383 4.350 -0.000 0.000 0.258 91 E C 0.799 177.430 176.600 0.051 0.000 1.151 91 E CA -0.013 56.418 56.400 0.051 0.000 0.958 91 E CB 0.813 30.538 29.700 0.043 0.000 0.968 91 E HN 0.705 nan 8.360 nan 0.000 0.451 92 E N -0.338 119.889 120.200 0.045 0.000 2.158 92 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 92 E C -0.025 176.600 176.600 0.041 0.000 0.982 92 E CA 0.732 57.157 56.400 0.043 0.000 0.823 92 E CB 0.429 30.150 29.700 0.036 0.000 0.766 92 E HN 0.211 nan 8.360 nan 0.000 0.468 93 T N 0.335 114.912 114.554 0.040 0.000 2.881 93 T HA 0.399 4.749 4.350 -0.000 0.000 0.291 93 T C -1.181 173.545 174.700 0.045 0.000 0.990 93 T CA -0.619 61.505 62.100 0.041 0.000 0.976 93 T CB 1.317 70.207 68.868 0.038 0.000 0.970 93 T HN -0.209 nan 8.240 nan 0.000 0.438 94 V N 5.509 125.453 119.914 0.050 0.000 2.513 94 V HA 0.537 4.657 4.120 -0.000 0.000 0.299 94 V C 0.017 176.154 176.094 0.073 0.000 1.035 94 V CA -1.042 61.291 62.300 0.054 0.000 0.889 94 V CB 1.858 33.711 31.823 0.050 0.000 0.988 94 V HN 0.755 nan 8.190 nan 0.000 0.440 95 K N 2.974 123.417 120.400 0.073 0.000 2.118 95 K HA 0.452 4.772 4.320 -0.000 0.000 0.267 95 K C -0.502 176.178 176.600 0.135 0.000 0.991 95 K CA -0.635 55.710 56.287 0.097 0.000 0.916 95 K CB 1.086 33.629 32.500 0.072 0.000 1.041 95 K HN 0.758 nan 8.250 nan 0.000 0.455 96 H N 1.753 120.861 119.070 0.063 0.000 2.469 96 H HA 0.125 4.681 4.556 -0.001 0.000 0.342 96 H C -1.330 174.057 175.328 0.097 0.000 1.115 96 H CA -0.477 55.614 56.048 0.072 0.000 1.204 96 H CB 1.671 31.488 29.762 0.091 0.000 1.492 96 H HN 0.601 nan 8.280 nan 0.000 0.499 97 D N 5.653 125.736 120.400 -0.528 0.000 2.454 97 D HA -0.052 4.588 4.640 -0.000 0.000 0.225 97 D C 1.070 177.148 176.300 -0.370 0.000 1.081 97 D CA -0.502 53.322 54.000 -0.292 0.000 0.864 97 D CB 0.102 40.780 40.800 -0.204 0.000 1.040 97 D HN 0.654 nan 8.370 nan 0.000 0.517 98 W N 4.596 125.811 121.300 -0.142 0.000 2.318 98 W HA -0.220 4.440 4.660 -0.000 0.000 0.313 98 W C 0.658 177.171 176.519 -0.011 0.000 1.221 98 W CA 1.270 58.631 57.345 0.028 0.000 1.266 98 W CB 0.095 29.622 29.460 0.112 0.000 1.150 98 W HN 0.416 nan 8.180 nan 0.000 0.496 99 D N -0.130 120.357 120.400 0.145 0.000 2.092 99 D HA -0.237 4.403 4.640 -0.000 0.000 0.193 99 D C 2.193 178.435 176.300 -0.097 0.000 0.994 99 D CA 2.011 56.046 54.000 0.058 0.000 0.828 99 D CB -0.600 40.270 40.800 0.116 0.000 0.963 99 D HN 0.219 nan 8.370 nan 0.000 0.450 100 R N 0.179 120.608 120.500 -0.120 0.000 2.105 100 R HA -0.122 4.217 4.340 -0.000 0.000 0.239 100 R C 2.342 178.531 176.300 -0.185 0.000 1.135 100 R CA 1.162 57.180 56.100 -0.136 0.000 0.967 100 R CB -0.243 29.977 30.300 -0.134 0.000 0.861 100 R HN 0.180 nan 8.270 nan 0.000 0.442 101 M N 0.416 119.854 119.600 -0.271 0.000 2.084 101 M HA -0.209 4.271 4.480 -0.000 0.000 0.259 101 M C 1.782 177.905 176.300 -0.295 0.000 1.072 101 M CA 1.855 56.995 55.300 -0.266 0.000 1.107 101 M CB -0.140 32.303 32.600 -0.261 0.000 1.299 101 M HN 0.151 nan 8.290 nan 0.000 0.413 102 I N 0.820 121.124 120.570 -0.442 0.000 2.151 102 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 102 I C 2.256 178.280 176.117 -0.156 0.000 1.080 102 I CA 1.885 62.989 61.300 -0.326 0.000 1.339 102 I CB -1.841 35.965 38.000 -0.324 0.000 1.039 102 I HN 0.500 nan 8.210 nan 0.000 0.409 103 E N 1.006 121.132 120.200 -0.123 0.000 2.097 103 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 103 E C 2.325 178.886 176.600 -0.065 0.000 1.000 103 E CA 1.625 57.986 56.400 -0.065 0.000 0.804 103 E CB -0.138 29.532 29.700 -0.051 0.000 0.740 103 E HN 0.559 nan 8.360 nan 0.000 0.454 104 A N 1.095 123.861 122.820 -0.090 0.000 1.873 104 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 104 A C 2.576 180.117 177.584 -0.071 0.000 1.186 104 A CA 1.259 53.248 52.037 -0.080 0.000 0.616 104 A CB -0.713 18.227 19.000 -0.101 0.000 0.823 104 A HN 0.111 nan 8.150 nan 0.000 0.442 105 V N 0.125 119.976 119.914 -0.104 0.000 2.287 105 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 105 V C 2.736 178.809 176.094 -0.035 0.000 1.053 105 V CA 2.086 64.330 62.300 -0.093 0.000 1.027 105 V CB -0.828 30.906 31.823 -0.148 0.000 0.646 105 V HN 0.525 nan 8.190 nan 0.000 0.447 106 Q N -0.018 119.761 119.800 -0.033 0.000 2.124 106 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 106 Q C 2.171 178.175 176.000 0.007 0.000 0.977 106 Q CA 1.882 57.683 55.803 -0.003 0.000 0.850 106 Q CB -0.787 27.957 28.738 0.010 0.000 0.901 106 Q HN 0.763 nan 8.270 nan 0.000 0.429 107 N N 0.110 118.811 118.700 0.001 0.000 2.120 107 N HA -0.206 4.534 4.740 -0.000 0.000 0.188 107 N C 1.688 177.216 175.510 0.029 0.000 1.024 107 N CA 1.634 54.684 53.050 0.001 0.000 0.852 107 N CB -0.152 38.328 38.487 -0.012 0.000 1.003 107 N HN 0.294 nan 8.380 nan 0.000 0.424 108 H N 0.285 119.322 119.070 -0.056 0.000 2.326 108 H HA 0.056 4.612 4.556 -0.000 0.000 0.301 108 H C 1.907 177.220 175.328 -0.024 0.000 1.081 108 H CA 1.949 57.967 56.048 -0.049 0.000 1.334 108 H CB -0.302 29.417 29.762 -0.073 0.000 1.385 108 H HN 0.221 nan 8.280 nan 0.000 0.504 109 I N 0.070 120.624 120.570 -0.027 0.000 2.151 109 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 109 I C 2.696 178.789 176.117 -0.041 0.000 1.080 109 I CA 1.495 62.753 61.300 -0.069 0.000 1.339 109 I CB -1.396 36.586 38.000 -0.030 0.000 1.039 109 I HN 0.482 nan 8.210 nan 0.000 0.409 110 G N 1.287 110.082 108.800 -0.008 0.000 2.514 110 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.217 110 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.217 110 G C 1.834 176.750 174.900 0.027 0.000 1.198 110 G CA 1.795 46.907 45.100 0.020 0.000 0.780 110 G HN 0.519 nan 8.290 nan 0.000 0.565 111 S N 0.417 116.097 115.700 -0.033 0.000 2.387 111 S HA -0.064 4.406 4.470 -0.000 0.000 0.230 111 S C 2.432 177.072 174.600 0.067 0.000 1.035 111 S CA 1.479 59.680 58.200 0.002 0.000 1.014 111 S CB -0.374 62.789 63.200 -0.061 0.000 0.836 111 S HN 0.315 nan 8.310 nan 0.000 0.466 112 L N 1.341 122.509 121.223 -0.091 0.000 2.046 112 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 112 L C 2.622 179.590 176.870 0.163 0.000 1.077 112 L CA 1.817 56.635 54.840 -0.037 0.000 0.747 112 L CB -0.934 41.083 42.059 -0.071 0.000 0.896 112 L HN 0.470 nan 8.230 nan 0.000 0.432 113 N N -0.854 117.943 118.700 0.162 0.000 2.018 113 N HA -0.301 4.439 4.740 -0.000 0.000 0.196 113 N C 1.597 177.230 175.510 0.204 0.000 1.043 113 N CA 1.889 55.050 53.050 0.185 0.000 0.856 113 N CB -0.352 38.223 38.487 0.145 0.000 1.042 113 N HN 0.354 nan 8.380 nan 0.000 0.423 114 W N 1.913 123.212 121.300 -0.001 0.000 2.321 114 W HA -0.130 4.529 4.660 -0.000 0.000 0.306 114 W C 2.268 178.759 176.519 -0.048 0.000 1.217 114 W CA 1.859 59.192 57.345 -0.019 0.000 1.257 114 W CB -0.849 28.595 29.460 -0.027 0.000 1.145 114 W HN 0.028 nan 8.180 nan 0.000 0.509 115 G N -0.437 108.390 108.800 0.045 0.000 2.514 115 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.217 115 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.217 115 G C 1.247 175.898 174.900 -0.415 0.000 1.198 115 G CA 1.435 46.330 45.100 -0.341 0.000 0.780 115 G HN 0.390 nan 8.290 nan 0.000 0.565 116 Y N 0.977 121.155 120.300 -0.204 0.000 2.207 116 Y HA -0.098 4.451 4.550 -0.000 0.000 0.287 116 Y C 3.123 178.849 175.900 -0.289 0.000 1.156 116 Y CA 1.601 59.569 58.100 -0.219 0.000 1.182 116 Y CB -0.182 38.169 38.460 -0.181 0.000 0.979 116 Y HN 0.077 nan 8.280 nan 0.000 0.521 117 R N -0.656 119.747 120.500 -0.161 0.000 2.070 117 R HA -0.153 4.187 4.340 -0.000 0.000 0.233 117 R C 2.234 178.371 176.300 -0.271 0.000 1.137 117 R CA 1.740 57.695 56.100 -0.241 0.000 0.945 117 R CB -1.027 29.173 30.300 -0.167 0.000 0.845 117 R HN 0.186 nan 8.270 nan 0.000 0.430 118 V N 1.376 121.026 119.914 -0.440 0.000 2.324 118 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 118 V C 2.511 178.419 176.094 -0.310 0.000 1.060 118 V CA 2.047 64.074 62.300 -0.455 0.000 1.042 118 V CB -0.804 30.541 31.823 -0.797 0.000 0.650 118 V HN 0.453 nan 8.190 nan 0.000 0.450 119 A N -0.614 122.023 122.820 -0.305 0.000 1.978 119 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 119 A C 2.210 179.706 177.584 -0.147 0.000 1.170 119 A CA 1.850 53.758 52.037 -0.216 0.000 0.636 119 A CB -0.459 18.411 19.000 -0.216 0.000 0.810 119 A HN 0.532 nan 8.150 nan 0.000 0.448 120 L N -1.846 119.295 121.223 -0.136 0.000 2.072 120 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 120 L C 2.790 179.615 176.870 -0.074 0.000 1.079 120 L CA 1.427 56.210 54.840 -0.094 0.000 0.752 120 L CB -0.420 41.579 42.059 -0.100 0.000 0.906 120 L HN 0.335 nan 8.230 nan 0.000 0.436 121 R N 0.265 120.715 120.500 -0.083 0.000 2.080 121 R HA -0.231 4.108 4.340 -0.000 0.000 0.236 121 R C 2.270 178.532 176.300 -0.063 0.000 1.137 121 R CA 1.681 57.748 56.100 -0.056 0.000 0.943 121 R CB -0.146 30.113 30.300 -0.067 0.000 0.846 121 R HN 0.121 nan 8.270 nan 0.000 0.431 122 E N 0.573 120.717 120.200 -0.093 0.000 2.118 122 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 122 E C 0.943 177.503 176.600 -0.068 0.000 0.992 122 E CA 1.510 57.860 56.400 -0.083 0.000 0.804 122 E CB 0.123 29.758 29.700 -0.109 0.000 0.741 122 E HN 0.118 nan 8.360 nan 0.000 0.458 123 K N 0.215 120.572 120.400 -0.072 0.000 2.476 123 K HA 0.065 4.385 4.320 -0.000 0.000 0.196 123 K C -0.410 176.160 176.600 -0.050 0.000 1.025 123 K CA 0.087 56.335 56.287 -0.065 0.000 1.138 123 K CB 0.171 32.624 32.500 -0.077 0.000 0.860 123 K HN 0.045 nan 8.250 nan 0.000 0.515 124 K N 0.440 120.818 120.400 -0.038 0.000 3.150 124 K HA -0.140 4.180 4.320 -0.000 0.000 0.267 124 K C -0.952 175.641 176.600 -0.012 0.000 1.028 124 K CA 0.149 56.424 56.287 -0.019 0.000 0.753 124 K CB -1.576 30.913 32.500 -0.018 0.000 1.288 124 K HN -0.048 nan 8.250 nan 0.000 0.473 125 V N 1.186 121.090 119.914 -0.016 0.000 2.459 125 V HA 0.295 4.414 4.120 -0.000 0.000 0.295 125 V C 0.538 176.638 176.094 0.010 0.000 1.029 125 V CA -0.981 61.309 62.300 -0.016 0.000 0.874 125 V CB 1.989 33.788 31.823 -0.038 0.000 0.985 125 V HN 0.068 nan 8.190 nan 0.000 0.438 126 V N 5.080 124.997 119.914 0.005 0.000 2.488 126 V HA 0.225 4.345 4.120 -0.000 0.000 0.277 126 V C -0.579 175.522 176.094 0.012 0.000 1.046 126 V CA -0.389 61.918 62.300 0.012 0.000 0.986 126 V CB 0.718 32.542 31.823 0.002 0.000 0.989 126 V HN 0.771 nan 8.190 nan 0.000 0.475 127 Y N 4.422 124.677 120.300 -0.075 0.000 2.334 127 Y HA 0.569 5.118 4.550 -0.000 0.000 0.336 127 Y C -0.137 175.737 175.900 -0.043 0.000 0.960 127 Y CA -0.893 57.165 58.100 -0.070 0.000 1.164 127 Y CB 1.216 39.653 38.460 -0.040 0.000 1.155 127 Y HN 0.598 nan 8.280 nan 0.000 0.478 128 E N 5.394 125.323 120.200 -0.452 0.000 2.145 128 E HA 0.126 4.476 4.350 -0.000 0.000 0.270 128 E C -1.010 175.219 176.600 -0.620 0.000 0.906 128 E CA -0.532 55.577 56.400 -0.486 0.000 0.761 128 E CB 1.303 30.876 29.700 -0.211 0.000 1.116 128 E HN 0.843 nan 8.360 nan 0.000 0.408 129 N N 2.305 120.614 118.700 -0.652 0.000 2.968 129 N HA 0.294 5.034 4.740 -0.000 0.000 0.271 129 N C -1.213 174.332 175.510 0.058 0.000 1.174 129 N CA -0.043 52.840 53.050 -0.278 0.000 1.096 129 N CB 0.151 38.547 38.487 -0.152 0.000 1.403 129 N HN 0.377 nan 8.380 nan 0.000 0.522 130 A N 2.605 125.479 122.820 0.090 0.000 2.594 130 A HA 0.230 4.549 4.320 -0.000 0.000 0.295 130 A C -1.759 175.882 177.584 0.095 0.000 1.071 130 A CA -0.638 51.434 52.037 0.059 0.000 0.685 130 A CB 0.772 19.769 19.000 -0.004 0.000 1.285 130 A HN 0.601 nan 8.150 nan 0.000 0.405 131 Y N 1.275 121.438 120.300 -0.229 0.000 2.335 131 Y HA 0.480 5.029 4.550 -0.000 0.000 0.331 131 Y C 0.774 176.622 175.900 -0.086 0.000 1.094 131 Y CA 0.734 58.761 58.100 -0.121 0.000 1.253 131 Y CB 0.895 39.160 38.460 -0.325 0.000 1.203 131 Y HN 0.837 nan 8.280 nan 0.000 0.508 132 G N 4.353 113.046 108.800 -0.180 0.000 2.417 132 G HA2 0.598 4.557 3.960 -0.000 0.000 0.334 132 G HA3 0.598 4.557 3.960 -0.000 0.000 0.334 132 G C -1.814 173.051 174.900 -0.058 0.000 1.150 132 G CA -0.771 44.282 45.100 -0.079 0.000 0.923 132 G HN 0.639 nan 8.290 nan 0.000 0.485 133 Q N -0.153 119.628 119.800 -0.032 0.000 2.327 133 Q HA 0.343 4.682 4.340 -0.000 0.000 0.265 133 Q C -1.372 174.579 176.000 -0.082 0.000 0.993 133 Q CA -0.571 55.233 55.803 0.001 0.000 0.885 133 Q CB 2.413 31.231 28.738 0.133 0.000 1.379 133 Q HN 0.483 nan 8.270 nan 0.000 0.408 134 F N 2.600 122.531 119.950 -0.031 0.000 2.459 134 F HA 0.203 4.730 4.527 -0.000 0.000 0.346 134 F C 1.421 177.203 175.800 -0.030 0.000 1.128 134 F CA 0.069 58.015 58.000 -0.090 0.000 1.268 134 F CB 0.571 39.475 39.000 -0.159 0.000 1.161 134 F HN 0.598 nan 8.300 nan 0.000 0.583 135 I N -0.994 119.695 120.570 0.199 0.000 4.471 135 I HA 0.608 4.777 4.170 -0.000 0.000 0.326 135 I C 0.644 176.826 176.117 0.108 0.000 1.300 135 I CA 0.092 61.465 61.300 0.122 0.000 1.237 135 I CB 0.435 38.489 38.000 0.090 0.000 1.195 135 I HN 0.548 nan 8.210 nan 0.000 0.427 136 G N 0.958 109.836 108.800 0.131 0.000 2.466 136 G HA2 0.386 4.346 3.960 -0.000 0.000 0.291 136 G HA3 0.386 4.346 3.960 -0.000 0.000 0.291 136 G C -3.253 171.731 174.900 0.141 0.000 1.460 136 G CA -0.958 44.204 45.100 0.105 0.000 0.791 136 G HN -0.267 nan 8.290 nan 0.000 0.505 137 P HA 0.022 nan 4.420 nan 0.000 0.263 137 P C 0.333 177.857 177.300 0.375 0.000 1.168 137 P CA 0.759 64.009 63.100 0.251 0.000 0.759 137 P CB -0.037 31.797 31.700 0.224 0.000 0.782 138 H N -0.241 118.983 119.070 0.257 0.000 2.806 138 H HA -0.249 4.307 4.556 -0.000 0.000 0.303 138 H C 0.087 175.694 175.328 0.465 0.000 1.089 138 H CA 0.914 57.211 56.048 0.414 0.000 1.165 138 H CB -0.783 29.130 29.762 0.251 0.000 1.350 138 H HN 0.481 nan 8.280 nan 0.000 0.373 139 R N 0.189 120.938 120.500 0.415 0.000 2.628 139 R HA 0.710 5.050 4.340 -0.000 0.000 0.288 139 R C -0.466 175.991 176.300 0.262 0.000 0.980 139 R CA -0.649 55.671 56.100 0.366 0.000 0.891 139 R CB 2.833 33.291 30.300 0.263 0.000 1.188 139 R HN 0.128 nan 8.270 nan 0.000 0.450 140 I N 1.376 122.104 120.570 0.264 0.000 2.865 140 I HA 0.452 4.622 4.170 -0.000 0.000 0.302 140 I C -1.433 174.760 176.117 0.128 0.000 1.140 140 I CA -1.024 60.342 61.300 0.109 0.000 1.021 140 I CB 2.311 40.291 38.000 -0.034 0.000 1.233 140 I HN 0.498 nan 8.210 nan 0.000 0.427 141 K N 5.279 125.716 120.400 0.062 0.000 2.182 141 K HA 0.789 5.108 4.320 -0.000 0.000 0.262 141 K C -1.320 175.323 176.600 0.071 0.000 0.957 141 K CA -0.324 55.992 56.287 0.049 0.000 0.842 141 K CB 1.809 34.325 32.500 0.027 0.000 1.099 141 K HN 0.611 nan 8.250 nan 0.000 0.438 142 A N 3.131 125.999 122.820 0.079 0.000 2.311 142 A HA 0.453 4.773 4.320 -0.000 0.000 0.306 142 A C -1.061 176.541 177.584 0.030 0.000 1.189 142 A CA -0.756 51.343 52.037 0.105 0.000 0.791 142 A CB 0.911 20.061 19.000 0.249 0.000 1.172 142 A HN 0.730 nan 8.150 nan 0.000 0.481 143 T N 2.839 117.388 114.554 -0.009 0.000 2.756 143 T HA 0.392 4.742 4.350 -0.000 0.000 0.290 143 T C 0.610 175.201 174.700 -0.182 0.000 0.985 143 T CA -0.705 61.335 62.100 -0.099 0.000 0.955 143 T CB 0.645 69.419 68.868 -0.157 0.000 0.930 143 T HN 0.869 nan 8.240 nan 0.000 0.451 144 N N 2.935 121.555 118.700 -0.133 0.000 2.292 144 N HA 0.033 4.773 4.740 -0.000 0.000 0.278 144 N C 1.124 176.501 175.510 -0.223 0.000 1.289 144 N CA -0.160 52.806 53.050 -0.141 0.000 0.934 144 N CB 0.066 38.529 38.487 -0.040 0.000 1.069 144 N HN 0.452 nan 8.380 nan 0.000 0.513 145 N N -1.148 117.521 118.700 -0.051 0.000 2.216 145 N HA -0.095 4.644 4.740 -0.000 0.000 0.183 145 N C 0.815 176.322 175.510 -0.005 0.000 1.017 145 N CA 1.181 54.256 53.050 0.042 0.000 0.861 145 N CB -0.150 38.460 38.487 0.205 0.000 0.986 145 N HN 0.472 nan 8.380 nan 0.000 0.428 146 K N -1.000 119.393 120.400 -0.011 0.000 2.365 146 K HA 0.173 4.493 4.320 -0.000 0.000 0.197 146 K C 0.844 177.419 176.600 -0.042 0.000 1.042 146 K CA 0.826 57.103 56.287 -0.015 0.000 0.987 146 K CB 0.276 32.774 32.500 -0.004 0.000 0.779 146 K HN 0.507 nan 8.250 nan 0.000 0.484 147 G N 1.080 109.838 108.800 -0.071 0.000 2.428 147 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.199 147 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.199 147 G C -0.423 174.433 174.900 -0.073 0.000 1.005 147 G CA -0.654 44.397 45.100 -0.082 0.000 0.671 147 G HN 0.004 nan 8.290 nan 0.000 0.485 148 K N 2.933 123.302 120.400 -0.053 0.000 2.491 148 K HA 0.279 4.599 4.320 -0.000 0.000 0.279 148 K C 0.772 177.341 176.600 -0.051 0.000 1.026 148 K CA 0.604 56.864 56.287 -0.043 0.000 1.070 148 K CB 0.322 32.806 32.500 -0.027 0.000 0.887 148 K HN 0.810 nan 8.250 nan 0.000 0.481 149 E N 2.340 122.508 120.200 -0.053 0.000 2.264 149 E HA 0.592 4.941 4.350 -0.000 0.000 0.260 149 E C -0.535 176.016 176.600 -0.081 0.000 0.961 149 E CA -1.059 55.305 56.400 -0.060 0.000 0.834 149 E CB 1.990 31.655 29.700 -0.058 0.000 1.230 149 E HN 0.316 nan 8.360 nan 0.000 0.412 150 K N 0.508 120.833 120.400 -0.125 0.000 2.568 150 K HA 0.514 4.833 4.320 -0.000 0.000 0.273 150 K C -0.997 175.372 176.600 -0.385 0.000 0.951 150 K CA -0.607 55.520 56.287 -0.266 0.000 0.854 150 K CB 1.998 34.302 32.500 -0.328 0.000 1.424 150 K HN 0.418 nan 8.250 nan 0.000 0.427 151 I N 1.904 122.209 120.570 -0.442 0.000 2.509 151 I HA 0.462 4.631 4.170 -0.000 0.000 0.293 151 I C -1.144 174.762 176.117 -0.351 0.000 1.020 151 I CA -0.941 60.185 61.300 -0.289 0.000 1.088 151 I CB 1.236 39.190 38.000 -0.076 0.000 1.267 151 I HN 0.516 nan 8.210 nan 0.000 0.430 152 Y N 2.281 122.691 120.300 0.184 0.000 2.545 152 Y HA 0.520 5.070 4.550 -0.000 0.000 0.348 152 Y C 0.151 176.263 175.900 0.353 0.000 1.002 152 Y CA -0.879 57.379 58.100 0.263 0.000 1.039 152 Y CB 2.248 40.873 38.460 0.275 0.000 1.271 152 Y HN 0.537 nan 8.280 nan 0.000 0.467 153 S N 0.824 116.859 115.700 0.558 0.000 2.607 153 S HA 0.992 5.462 4.470 -0.000 0.000 0.303 153 S C -0.834 174.070 174.600 0.507 0.000 1.086 153 S CA -0.736 57.807 58.200 0.570 0.000 0.995 153 S CB 2.182 65.686 63.200 0.506 0.000 1.084 153 S HN 1.079 nan 8.310 nan 0.000 0.507 154 A N 0.345 123.404 122.820 0.397 0.000 2.594 154 A HA 0.594 4.914 4.320 -0.000 0.000 0.296 154 A C 0.225 177.634 177.584 -0.290 0.000 1.061 154 A CA -0.583 51.471 52.037 0.028 0.000 0.689 154 A CB 0.914 19.727 19.000 -0.312 0.000 1.280 154 A HN 0.909 nan 8.150 nan 0.000 0.406 155 E N 0.097 120.038 120.200 -0.432 0.000 2.268 155 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 155 E C 0.331 176.939 176.600 0.013 0.000 0.995 155 E CA 0.916 57.035 56.400 -0.469 0.000 0.836 155 E CB 0.123 29.755 29.700 -0.113 0.000 0.763 155 E HN 0.507 nan 8.360 nan 0.000 0.491 156 R N -1.189 119.349 120.500 0.064 0.000 2.680 156 R HA 0.373 4.713 4.340 -0.000 0.000 0.269 156 R C -1.567 174.758 176.300 0.042 0.000 1.026 156 R CA -0.669 55.578 56.100 0.244 0.000 0.889 156 R CB 1.239 31.709 30.300 0.283 0.000 1.241 156 R HN -0.121 nan 8.270 nan 0.000 0.463 157 F N 1.049 121.107 119.950 0.180 0.000 2.563 157 F HA 0.523 5.050 4.527 -0.000 0.000 0.316 157 F C -0.703 175.200 175.800 0.171 0.000 1.076 157 F CA -0.958 57.147 58.000 0.176 0.000 0.921 157 F CB 1.809 40.984 39.000 0.293 0.000 1.209 157 F HN 0.141 nan 8.300 nan 0.000 0.462 158 L N 4.031 125.425 121.223 0.284 0.000 2.349 158 L HA 0.634 4.974 4.340 -0.000 0.000 0.278 158 L C -1.145 175.838 176.870 0.187 0.000 0.996 158 L CA -0.677 54.290 54.840 0.212 0.000 0.825 158 L CB 1.165 43.295 42.059 0.119 0.000 1.243 158 L HN 0.429 nan 8.230 nan 0.000 0.412 159 I N 5.488 126.164 120.570 0.177 0.000 2.297 159 I HA 0.591 4.761 4.170 -0.000 0.000 0.291 159 I C 0.332 176.500 176.117 0.086 0.000 1.033 159 I CA 0.196 61.574 61.300 0.130 0.000 1.253 159 I CB 1.454 39.534 38.000 0.134 0.000 1.396 159 I HN 0.775 nan 8.210 nan 0.000 0.476 160 A N 3.775 126.629 122.820 0.056 0.000 3.370 160 A HA 0.327 4.647 4.320 -0.000 0.000 0.295 160 A C 0.635 178.236 177.584 0.027 0.000 1.030 160 A CA -0.310 51.753 52.037 0.044 0.000 0.883 160 A CB 0.419 19.441 19.000 0.036 0.000 1.191 160 A HN 0.629 nan 8.150 nan 0.000 0.507 161 T N -0.285 114.286 114.554 0.029 0.000 3.044 161 T HA 0.427 4.777 4.350 -0.000 0.000 0.250 161 T C 1.249 175.973 174.700 0.041 0.000 1.081 161 T CA 1.895 64.005 62.100 0.016 0.000 1.040 161 T CB -0.458 68.410 68.868 0.001 0.000 0.962 161 T HN 2.205 nan 8.240 nan 0.000 0.506 162 G N 0.995 109.826 108.800 0.052 0.000 2.601 162 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.261 162 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.261 162 G C -0.532 174.414 174.900 0.077 0.000 1.289 162 G CA 0.206 45.346 45.100 0.068 0.000 0.920 162 G HN 0.613 nan 8.290 nan 0.000 0.571 163 E N -0.706 119.549 120.200 0.092 0.000 2.442 163 E HA 0.794 5.143 4.350 -0.000 0.000 0.261 163 E C -0.393 176.279 176.600 0.119 0.000 0.935 163 E CA -1.167 55.291 56.400 0.096 0.000 0.856 163 E CB 1.505 31.255 29.700 0.084 0.000 1.571 163 E HN 0.486 nan 8.360 nan 0.000 0.431 164 R N 0.216 120.786 120.500 0.117 0.000 2.707 164 R HA 0.396 4.735 4.340 -0.000 0.000 0.272 164 R C -2.854 173.509 176.300 0.106 0.000 1.011 164 R CA -2.460 53.724 56.100 0.140 0.000 0.893 164 R CB 0.837 31.235 30.300 0.164 0.000 1.233 164 R HN 0.298 nan 8.270 nan 0.000 0.464 165 P HA 0.030 nan 4.420 nan 0.000 0.260 165 P C -0.227 177.083 177.300 0.017 0.000 1.185 165 P CA 0.055 63.155 63.100 0.001 0.000 0.763 165 P CB 0.370 32.032 31.700 -0.063 0.000 0.776 166 R N 3.564 124.065 120.500 0.000 0.000 2.441 166 R HA 0.332 4.672 4.340 -0.000 0.000 0.284 166 R C -0.812 175.502 176.300 0.024 0.000 1.070 166 R CA -0.038 56.103 56.100 0.069 0.000 1.047 166 R CB 0.269 30.602 30.300 0.055 0.000 1.016 166 R HN 0.304 nan 8.270 nan 0.000 0.477 167 Y N 2.112 122.425 120.300 0.023 0.000 2.618 167 Y HA 0.408 4.957 4.550 -0.000 0.000 0.326 167 Y C 0.060 175.970 175.900 0.018 0.000 1.168 167 Y CA -0.906 57.204 58.100 0.017 0.000 1.269 167 Y CB 1.240 39.709 38.460 0.016 0.000 1.388 167 Y HN 0.366 nan 8.280 nan 0.000 0.528 168 L N 0.532 121.892 121.223 0.229 0.000 2.325 168 L HA 0.476 4.815 4.340 -0.000 0.000 0.279 168 L C 0.679 177.621 176.870 0.119 0.000 1.054 168 L CA -0.768 54.150 54.840 0.130 0.000 0.804 168 L CB 1.142 43.261 42.059 0.101 0.000 1.200 168 L HN 0.834 nan 8.230 nan 0.000 0.436 169 G N 4.829 113.677 108.800 0.079 0.000 2.985 169 G HA2 0.427 4.387 3.960 -0.000 0.000 0.282 169 G HA3 0.427 4.387 3.960 -0.000 0.000 0.282 169 G C -0.254 174.676 174.900 0.050 0.000 0.791 169 G CA -0.036 45.096 45.100 0.053 0.000 1.934 169 G HN 0.546 nan 8.290 nan 0.000 0.563 170 I N -1.364 119.241 120.570 0.060 0.000 2.894 170 I HA 0.619 4.789 4.170 -0.000 0.000 0.302 170 I C -2.582 173.573 176.117 0.063 0.000 1.188 170 I CA -3.231 58.105 61.300 0.060 0.000 1.014 170 I CB 3.006 41.048 38.000 0.070 0.000 1.242 170 I HN -0.051 nan 8.210 nan 0.000 0.430 171 P HA 0.059 nan 4.420 nan 0.000 0.261 171 P C 0.793 178.173 177.300 0.133 0.000 1.173 171 P CA 1.518 64.666 63.100 0.080 0.000 0.760 171 P CB 0.481 32.226 31.700 0.075 0.000 0.783 172 G N 3.382 112.275 108.800 0.156 0.000 2.205 172 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.261 172 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.261 172 G C 0.750 175.760 174.900 0.184 0.000 0.980 172 G CA 0.706 45.988 45.100 0.303 0.000 0.632 172 G HN 0.582 nan 8.290 nan 0.000 0.533 173 D N 0.959 121.428 120.400 0.115 0.000 2.087 173 D HA -0.040 4.600 4.640 -0.000 0.000 0.201 173 D C 2.050 178.412 176.300 0.103 0.000 0.980 173 D CA 1.525 55.623 54.000 0.164 0.000 0.849 173 D CB -0.725 40.230 40.800 0.257 0.000 1.001 173 D HN 0.401 nan 8.370 nan 0.000 0.452 174 K N 0.466 120.791 120.400 -0.125 0.000 2.286 174 K HA -0.133 4.187 4.320 -0.000 0.000 0.203 174 K C 1.946 178.435 176.600 -0.185 0.000 1.045 174 K CA 1.450 57.552 56.287 -0.308 0.000 0.935 174 K CB -0.126 32.073 32.500 -0.501 0.000 0.737 174 K HN 0.539 nan 8.250 nan 0.000 0.460 175 E N -0.113 119.913 120.200 -0.290 0.000 2.102 175 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 175 E C 1.390 177.667 176.600 -0.539 0.000 0.971 175 E CA 1.093 57.194 56.400 -0.498 0.000 0.821 175 E CB -0.289 28.953 29.700 -0.764 0.000 0.777 175 E HN 0.427 nan 8.360 nan 0.000 0.460 176 Y N 0.755 121.089 120.300 0.057 0.000 2.498 176 Y HA 0.264 4.813 4.550 -0.000 0.000 0.259 176 Y C 1.300 177.244 175.900 0.074 0.000 1.086 176 Y CA -1.034 57.100 58.100 0.056 0.000 1.287 176 Y CB 0.112 38.596 38.460 0.039 0.000 1.146 176 Y HN -0.044 nan 8.280 nan 0.000 0.523 177 C N 2.796 122.211 119.300 0.192 0.000 2.466 177 C HA 0.562 5.022 4.460 -0.000 0.000 0.379 177 C C 0.690 175.762 174.990 0.136 0.000 1.251 177 C CA -1.255 57.857 59.018 0.156 0.000 2.263 177 C CB -0.473 27.363 27.740 0.159 0.000 2.511 177 C HN 0.337 nan 8.230 nan 0.000 0.573 178 I N 1.067 121.671 120.570 0.056 0.000 2.822 178 I HA 0.855 5.025 4.170 -0.000 0.000 0.312 178 I C 0.021 176.090 176.117 -0.079 0.000 1.011 178 I CA -0.014 61.297 61.300 0.018 0.000 1.105 178 I CB 1.864 39.859 38.000 -0.009 0.000 1.291 178 I HN 0.672 nan 8.210 nan 0.000 0.474 179 S N 1.201 116.843 115.700 -0.096 0.000 2.806 179 S HA 0.341 4.810 4.470 -0.000 0.000 0.306 179 S C 0.989 175.483 174.600 -0.177 0.000 1.167 179 S CA 0.053 58.151 58.200 -0.170 0.000 0.847 179 S CB 1.022 64.086 63.200 -0.225 0.000 1.216 179 S HN 0.995 nan 8.310 nan 0.000 0.532 180 S N 0.723 116.314 115.700 -0.183 0.000 2.392 180 S HA -0.219 4.251 4.470 -0.000 0.000 0.232 180 S C 1.098 175.534 174.600 -0.273 0.000 1.041 180 S CA 2.072 60.120 58.200 -0.253 0.000 1.026 180 S CB -1.298 61.865 63.200 -0.061 0.000 0.845 180 S HN 0.735 nan 8.310 nan 0.000 0.465 181 D N 1.863 122.217 120.400 -0.077 0.000 2.178 181 D HA -0.057 4.583 4.640 -0.000 0.000 0.201 181 D C 1.602 177.920 176.300 0.031 0.000 0.980 181 D CA 1.420 55.422 54.000 0.004 0.000 0.842 181 D CB -0.367 40.630 40.800 0.328 0.000 0.948 181 D HN 0.646 nan 8.370 nan 0.000 0.472 182 D N -0.207 120.190 120.400 -0.005 0.000 2.259 182 D HA -0.048 4.592 4.640 -0.000 0.000 0.216 182 D C 2.223 178.494 176.300 -0.049 0.000 0.961 182 D CA -0.115 53.901 54.000 0.027 0.000 0.878 182 D CB -0.009 40.816 40.800 0.041 0.000 1.009 182 D HN 0.060 nan 8.370 nan 0.000 0.490 183 L N 1.422 122.535 121.223 -0.184 0.000 2.021 183 L HA -0.213 4.127 4.340 -0.000 0.000 0.215 183 L C 1.810 178.647 176.870 -0.054 0.000 1.074 183 L CA 1.752 56.482 54.840 -0.184 0.000 0.760 183 L CB -1.170 40.669 42.059 -0.366 0.000 0.889 183 L HN -0.127 nan 8.230 nan 0.000 0.433 184 F N -0.199 119.819 119.950 0.114 0.000 2.583 184 F HA -0.040 4.487 4.527 -0.000 0.000 0.297 184 F C 2.121 177.949 175.800 0.046 0.000 1.131 184 F CA 0.929 58.963 58.000 0.057 0.000 1.467 184 F CB -1.061 37.904 39.000 -0.058 0.000 1.097 184 F HN 0.293 nan 8.300 nan 0.000 0.586 185 S N -1.351 114.465 115.700 0.193 0.000 2.701 185 S HA 0.226 4.696 4.470 -0.000 0.000 0.242 185 S C 0.236 174.930 174.600 0.157 0.000 1.025 185 S CA -0.482 57.814 58.200 0.160 0.000 1.016 185 S CB -0.220 63.069 63.200 0.149 0.000 0.977 185 S HN 0.057 nan 8.310 nan 0.000 0.546 186 L N 4.982 126.309 121.223 0.172 0.000 2.747 186 L HA 0.055 4.395 4.340 -0.000 0.000 0.286 186 L C -1.525 175.382 176.870 0.062 0.000 1.216 186 L CA -0.494 54.340 54.840 -0.010 0.000 0.930 186 L CB 0.235 42.218 42.059 -0.127 0.000 1.216 186 L HN 0.024 nan 8.230 nan 0.000 0.486 187 P HA -0.014 nan 4.420 nan 0.000 0.245 187 P C -1.248 176.112 177.300 0.100 0.000 1.212 187 P CA 0.594 63.725 63.100 0.052 0.000 0.774 187 P CB -0.083 31.682 31.700 0.108 0.000 0.999 188 Y N -3.163 117.189 120.300 0.086 0.000 2.597 188 Y HA 0.477 5.027 4.550 -0.000 0.000 0.340 188 Y C -0.528 175.108 175.900 -0.440 0.000 1.097 188 Y CA -2.456 55.618 58.100 -0.043 0.000 1.037 188 Y CB -0.025 38.409 38.460 -0.042 0.000 1.305 188 Y HN -0.241 nan 8.280 nan 0.000 0.463 189 C N 5.713 124.858 119.300 -0.258 0.000 2.638 189 C HA 0.217 4.676 4.460 -0.000 0.000 0.410 189 C C -0.670 174.122 174.990 -0.331 0.000 1.404 189 C CA -1.006 57.664 59.018 -0.580 0.000 1.651 189 C CB -0.116 27.574 27.740 -0.083 0.000 2.495 189 C HN 0.769 nan 8.230 nan 0.000 0.606 190 P HA 0.105 nan 4.420 nan 0.000 0.228 190 P C 0.990 178.234 177.300 -0.092 0.000 1.151 190 P CA 1.754 64.721 63.100 -0.223 0.000 0.770 190 P CB -0.252 31.236 31.700 -0.353 0.000 0.786 191 G N 1.167 109.910 108.800 -0.095 0.000 2.622 191 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.272 191 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.272 191 G C -0.356 174.534 174.900 -0.016 0.000 1.308 191 G CA -0.047 45.033 45.100 -0.033 0.000 0.919 191 G HN 0.527 nan 8.290 nan 0.000 0.565 192 K N 0.543 120.950 120.400 0.012 0.000 2.404 192 K HA 0.242 4.562 4.320 -0.000 0.000 0.271 192 K C 0.158 176.808 176.600 0.082 0.000 1.130 192 K CA 1.265 57.584 56.287 0.053 0.000 1.181 192 K CB -0.443 32.093 32.500 0.059 0.000 0.840 192 K HN 0.565 nan 8.250 nan 0.000 0.483 193 T N 4.640 119.208 114.554 0.023 0.000 2.918 193 T HA 0.450 4.800 4.350 -0.000 0.000 0.286 193 T C -1.185 173.387 174.700 -0.213 0.000 1.026 193 T CA -0.801 61.253 62.100 -0.077 0.000 1.031 193 T CB 1.196 69.987 68.868 -0.128 0.000 1.046 193 T HN 0.481 nan 8.240 nan 0.000 0.479 194 L N 3.161 124.133 121.223 -0.419 0.000 2.372 194 L HA 0.688 5.027 4.340 -0.000 0.000 0.274 194 L C -1.248 175.384 176.870 -0.396 0.000 0.988 194 L CA -0.597 53.853 54.840 -0.650 0.000 0.833 194 L CB 1.327 42.535 42.059 -1.419 0.000 1.236 194 L HN 0.430 nan 8.230 nan 0.000 0.410 195 V N 5.811 125.534 119.914 -0.318 0.000 2.394 195 V HA 0.491 4.611 4.120 -0.000 0.000 0.282 195 V C -0.149 175.822 176.094 -0.206 0.000 1.031 195 V CA -0.628 61.526 62.300 -0.242 0.000 0.881 195 V CB 1.654 33.337 31.823 -0.233 0.000 0.982 195 V HN 0.542 nan 8.190 nan 0.000 0.451 196 V N 4.696 124.513 119.914 -0.162 0.000 2.370 196 V HA 0.931 5.051 4.120 -0.000 0.000 0.279 196 V C 0.598 176.644 176.094 -0.079 0.000 1.029 196 V CA 0.611 62.846 62.300 -0.109 0.000 0.870 196 V CB 0.677 32.448 31.823 -0.088 0.000 0.984 196 V HN 1.313 nan 8.190 nan 0.000 0.451 197 G N 4.076 112.849 108.800 -0.044 0.000 2.497 197 G HA2 0.431 4.391 3.960 -0.000 0.000 0.686 197 G HA3 0.431 4.391 3.960 -0.000 0.000 0.686 197 G C -0.405 174.489 174.900 -0.011 0.000 1.288 197 G CA -0.118 44.968 45.100 -0.024 0.000 0.899 197 G HN 1.620 nan 8.290 nan 0.000 0.608 198 A N -0.000 122.824 122.820 0.007 0.000 2.992 198 A HA 0.787 5.107 4.320 -0.000 0.000 0.263 198 A C 0.666 178.256 177.584 0.010 0.000 0.928 198 A CA 1.070 53.124 52.037 0.027 0.000 1.061 198 A CB -0.336 18.703 19.000 0.065 0.000 1.173 198 A HN 2.282 nan 8.150 nan 0.000 0.482 199 S N -0.662 115.022 115.700 -0.027 0.000 2.707 199 S HA 0.469 4.939 4.470 -0.000 0.000 0.276 199 S C 1.090 175.654 174.600 -0.059 0.000 1.179 199 S CA 0.055 58.220 58.200 -0.058 0.000 0.992 199 S CB 0.208 63.325 63.200 -0.139 0.000 1.030 199 S HN 1.005 nan 8.310 nan 0.000 0.554 200 Y N -0.123 120.162 120.300 -0.025 0.000 2.181 200 Y HA -0.019 4.531 4.550 -0.000 0.000 0.288 200 Y C 1.869 177.792 175.900 0.037 0.000 1.146 200 Y CA 1.144 59.218 58.100 -0.045 0.000 1.164 200 Y CB -1.616 36.810 38.460 -0.057 0.000 0.982 200 Y HN 0.285 nan 8.280 nan 0.000 0.515 201 V N 1.673 121.404 119.914 -0.305 0.000 2.282 201 V HA -0.367 3.753 4.120 -0.000 0.000 0.249 201 V C 2.949 179.042 176.094 -0.002 0.000 1.057 201 V CA 2.075 64.340 62.300 -0.059 0.000 1.032 201 V CB -1.686 30.043 31.823 -0.157 0.000 0.645 201 V HN 0.676 nan 8.190 nan 0.000 0.447 202 A N 0.146 122.927 122.820 -0.065 0.000 1.859 202 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 202 A C 2.212 179.764 177.584 -0.054 0.000 1.198 202 A CA 2.390 54.384 52.037 -0.072 0.000 0.629 202 A CB -0.718 18.243 19.000 -0.064 0.000 0.830 202 A HN 0.517 nan 8.150 nan 0.000 0.446 203 L N -1.035 120.189 121.223 0.002 0.000 2.046 203 L HA -0.199 4.140 4.340 -0.000 0.000 0.208 203 L C 2.622 179.517 176.870 0.040 0.000 1.077 203 L CA 1.680 56.538 54.840 0.030 0.000 0.747 203 L CB -0.787 41.316 42.059 0.073 0.000 0.896 203 L HN 0.477 nan 8.230 nan 0.000 0.432 204 E N -0.344 119.920 120.200 0.108 0.000 2.085 204 E HA -0.231 4.118 4.350 -0.000 0.000 0.194 204 E C 2.330 179.014 176.600 0.140 0.000 0.994 204 E CA 1.740 58.253 56.400 0.189 0.000 0.801 204 E CB -0.188 29.706 29.700 0.324 0.000 0.743 204 E HN 0.547 nan 8.360 nan 0.000 0.453 205 C N 0.460 119.725 119.300 -0.059 0.000 2.466 205 C HA 0.012 4.472 4.460 -0.000 0.000 0.278 205 C C 2.891 177.437 174.990 -0.739 0.000 1.288 205 C CA 0.553 59.136 59.018 -0.726 0.000 1.722 205 C CB -0.875 26.630 27.740 -0.392 0.000 2.017 205 C HN 0.512 nan 8.230 nan 0.000 0.488 206 A N 1.166 123.779 122.820 -0.345 0.000 1.908 206 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 206 A C 2.341 179.800 177.584 -0.208 0.000 1.181 206 A CA 2.250 54.122 52.037 -0.274 0.000 0.627 206 A CB -1.333 17.537 19.000 -0.217 0.000 0.818 206 A HN 0.545 nan 8.150 nan 0.000 0.445 207 G N 0.187 108.921 108.800 -0.110 0.000 2.587 207 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 207 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 207 G C 1.415 176.371 174.900 0.094 0.000 1.240 207 G CA 1.490 46.612 45.100 0.036 0.000 0.794 207 G HN 0.851 nan 8.290 nan 0.000 0.580 208 F N 0.606 120.633 119.950 0.129 0.000 2.216 208 F HA 0.171 4.698 4.527 -0.001 0.000 0.300 208 F C 2.268 178.134 175.800 0.109 0.000 1.085 208 F CA 0.628 58.712 58.000 0.141 0.000 1.326 208 F CB -0.646 38.457 39.000 0.171 0.000 1.027 208 F HN 0.075 nan 8.300 nan 0.000 0.497 209 L N 0.806 121.960 121.223 -0.114 0.000 2.017 209 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 209 L C 3.027 179.920 176.870 0.039 0.000 1.073 209 L CA 1.289 56.134 54.840 0.009 0.000 0.745 209 L CB -1.096 40.849 42.059 -0.189 0.000 0.894 209 L HN 0.362 nan 8.230 nan 0.000 0.432 210 A N 0.232 123.046 122.820 -0.009 0.000 1.908 210 A HA -0.175 4.144 4.320 -0.000 0.000 0.218 210 A C 2.338 179.959 177.584 0.061 0.000 1.181 210 A CA 1.835 53.884 52.037 0.020 0.000 0.627 210 A CB -1.319 17.688 19.000 0.012 0.000 0.818 210 A HN 0.473 nan 8.150 nan 0.000 0.445 211 G N -0.863 107.995 108.800 0.096 0.000 2.470 211 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.220 211 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.220 211 G C 1.276 176.203 174.900 0.044 0.000 1.121 211 G CA 1.102 46.259 45.100 0.096 0.000 0.766 211 G HN 0.446 nan 8.290 nan 0.000 0.553 212 I N 0.037 120.630 120.570 0.038 0.000 3.578 212 I HA 0.306 4.475 4.170 -0.000 0.000 0.295 212 I C 1.825 177.941 176.117 -0.001 0.000 1.280 212 I CA 1.074 62.325 61.300 -0.082 0.000 1.347 212 I CB 0.474 38.432 38.000 -0.070 0.000 1.051 212 I HN 0.243 nan 8.210 nan 0.000 0.460 213 G N -0.142 108.686 108.800 0.047 0.000 2.175 213 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.182 213 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.182 213 G C 0.180 175.118 174.900 0.063 0.000 1.003 213 G CA -0.187 44.951 45.100 0.063 0.000 0.666 213 G HN 0.216 nan 8.290 nan 0.000 0.506 214 L N 0.958 122.215 121.223 0.057 0.000 2.379 214 L HA 0.521 4.861 4.340 -0.000 0.000 0.269 214 L C 0.277 177.155 176.870 0.014 0.000 1.084 214 L CA -1.022 53.840 54.840 0.036 0.000 0.802 214 L CB 0.920 42.994 42.059 0.024 0.000 1.175 214 L HN 0.078 nan 8.230 nan 0.000 0.448 215 D N 1.837 122.243 120.400 0.011 0.000 2.346 215 D HA 0.220 4.859 4.640 -0.000 0.000 0.260 215 D C -1.029 175.268 176.300 -0.005 0.000 1.252 215 D CA 0.066 54.071 54.000 0.009 0.000 0.895 215 D CB 1.019 41.830 40.800 0.019 0.000 1.097 215 D HN 0.089 nan 8.370 nan 0.000 0.489 216 V N 3.592 123.487 119.914 -0.033 0.000 2.604 216 V HA 0.465 4.585 4.120 -0.000 0.000 0.305 216 V C 0.316 176.334 176.094 -0.126 0.000 1.043 216 V CA -0.641 61.606 62.300 -0.088 0.000 0.888 216 V CB 2.308 34.057 31.823 -0.123 0.000 0.995 216 V HN 0.564 nan 8.190 nan 0.000 0.429 217 T N 2.976 117.426 114.554 -0.172 0.000 2.900 217 T HA 0.680 5.030 4.350 -0.000 0.000 0.295 217 T C -0.959 173.548 174.700 -0.322 0.000 1.044 217 T CA -0.517 61.456 62.100 -0.211 0.000 0.995 217 T CB 2.067 70.900 68.868 -0.059 0.000 1.072 217 T HN 0.350 nan 8.240 nan 0.000 0.473 218 V N 3.007 122.680 119.914 -0.401 0.000 2.443 218 V HA 0.458 4.578 4.120 -0.000 0.000 0.293 218 V C -0.380 175.616 176.094 -0.163 0.000 1.021 218 V CA -0.737 61.345 62.300 -0.364 0.000 0.848 218 V CB 1.556 33.015 31.823 -0.607 0.000 0.998 218 V HN 0.899 nan 8.190 nan 0.000 0.424 219 M N 6.229 125.771 119.600 -0.096 0.000 2.144 219 M HA 0.648 5.128 4.480 -0.000 0.000 0.356 219 M C -1.289 175.046 176.300 0.058 0.000 1.217 219 M CA -0.177 55.132 55.300 0.014 0.000 1.087 219 M CB 1.148 33.740 32.600 -0.012 0.000 1.609 219 M HN 0.464 nan 8.290 nan 0.000 0.467 220 V N 5.807 125.797 119.914 0.127 0.000 2.628 220 V HA 0.430 4.550 4.120 -0.000 0.000 0.306 220 V C 0.735 176.888 176.094 0.098 0.000 1.045 220 V CA -0.756 61.610 62.300 0.110 0.000 0.905 220 V CB 1.594 33.502 31.823 0.142 0.000 0.997 220 V HN 0.987 nan 8.190 nan 0.000 0.436 221 R N 1.892 122.432 120.500 0.067 0.000 2.052 221 R HA -0.041 4.299 4.340 -0.000 0.000 0.226 221 R C 1.544 177.860 176.300 0.026 0.000 1.145 221 R CA 1.977 58.106 56.100 0.049 0.000 0.952 221 R CB 0.142 30.465 30.300 0.039 0.000 0.847 221 R HN 0.916 nan 8.270 nan 0.000 0.431 222 S N 0.342 116.059 115.700 0.029 0.000 3.465 222 S HA 0.244 4.714 4.470 -0.000 0.000 0.179 222 S C 0.935 175.547 174.600 0.021 0.000 0.922 222 S CA -0.355 57.854 58.200 0.016 0.000 1.168 222 S CB -0.562 62.645 63.200 0.013 0.000 1.229 222 S HN 0.358 nan 8.310 nan 0.000 0.867 223 I N 1.079 121.663 120.570 0.024 0.000 2.677 223 I HA 0.555 4.724 4.170 -0.000 0.000 0.305 223 I C -0.866 175.272 176.117 0.035 0.000 0.988 223 I CA -1.130 60.183 61.300 0.022 0.000 1.260 223 I CB 0.626 38.642 38.000 0.027 0.000 1.410 223 I HN 0.385 nan 8.210 nan 0.000 0.523 224 L N 4.906 126.142 121.223 0.022 0.000 2.375 224 L HA 0.318 4.658 4.340 -0.000 0.000 0.271 224 L C 0.331 177.221 176.870 0.033 0.000 1.107 224 L CA -0.904 53.952 54.840 0.028 0.000 0.806 224 L CB 0.808 42.866 42.059 -0.001 0.000 1.146 224 L HN 0.677 nan 8.230 nan 0.000 0.447 225 L N 1.511 122.749 121.223 0.024 0.000 3.854 225 L HA -0.243 4.097 4.340 -0.000 0.000 0.460 225 L C 0.872 177.866 176.870 0.206 0.000 1.228 225 L CA 0.186 55.044 54.840 0.030 0.000 0.760 225 L CB -1.470 40.484 42.059 -0.174 0.000 1.597 225 L HN 0.716 nan 8.230 nan 0.000 0.852 226 R N 0.929 121.535 120.500 0.177 0.000 2.619 226 R HA 0.204 4.543 4.340 -0.000 0.000 0.268 226 R C 1.484 177.966 176.300 0.303 0.000 0.990 226 R CA 1.404 57.617 56.100 0.189 0.000 1.092 226 R CB 0.305 30.682 30.300 0.128 0.000 0.935 226 R HN 0.533 nan 8.270 nan 0.000 0.415 227 G N 3.303 112.247 108.800 0.241 0.000 2.490 227 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.214 227 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.214 227 G C 0.104 175.117 174.900 0.189 0.000 1.151 227 G CA 0.016 45.230 45.100 0.190 0.000 0.684 227 G HN 0.539 nan 8.290 nan 0.000 0.518 228 F N 2.417 122.459 119.950 0.153 0.000 2.399 228 F HA 0.429 4.956 4.527 -0.000 0.000 0.313 228 F C 1.101 176.999 175.800 0.163 0.000 1.202 228 F CA -0.065 58.062 58.000 0.211 0.000 1.192 228 F CB 0.387 39.560 39.000 0.289 0.000 1.256 228 F HN 0.105 nan 8.300 nan 0.000 0.558 229 D N 1.415 122.064 120.400 0.415 0.000 2.493 229 D HA -0.089 4.550 4.640 -0.000 0.000 0.240 229 D C 0.571 176.929 176.300 0.097 0.000 1.142 229 D CA -0.022 54.091 54.000 0.188 0.000 0.872 229 D CB 1.065 41.918 40.800 0.088 0.000 1.173 229 D HN 0.468 nan 8.370 nan 0.000 0.467 230 Q N 2.942 122.766 119.800 0.041 0.000 2.172 230 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 230 Q C 1.272 177.233 176.000 -0.065 0.000 0.964 230 Q CA 0.887 56.690 55.803 0.000 0.000 0.855 230 Q CB -0.157 28.585 28.738 0.006 0.000 0.918 230 Q HN 0.650 nan 8.270 nan 0.000 0.444 231 D N 0.054 120.400 120.400 -0.090 0.000 2.117 231 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 231 D C 1.705 177.879 176.300 -0.210 0.000 0.987 231 D CA 1.060 54.975 54.000 -0.141 0.000 0.829 231 D CB 0.199 40.918 40.800 -0.135 0.000 0.961 231 D HN 0.003 nan 8.370 nan 0.000 0.460 232 M N 0.610 120.072 119.600 -0.230 0.000 2.086 232 M HA -0.007 4.472 4.480 -0.000 0.000 0.261 232 M C 2.439 178.510 176.300 -0.383 0.000 1.067 232 M CA 1.350 56.421 55.300 -0.382 0.000 1.116 232 M CB -1.587 30.636 32.600 -0.629 0.000 1.348 232 M HN 0.130 nan 8.290 nan 0.000 0.407 233 A N 1.165 123.829 122.820 -0.261 0.000 1.873 233 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 233 A C 2.086 179.578 177.584 -0.153 0.000 1.193 233 A CA 2.119 54.050 52.037 -0.178 0.000 0.629 233 A CB -0.970 17.989 19.000 -0.069 0.000 0.826 233 A HN 0.499 nan 8.150 nan 0.000 0.447 234 N N 0.024 118.641 118.700 -0.139 0.000 2.061 234 N HA -0.185 4.555 4.740 -0.000 0.000 0.193 234 N C 1.644 177.068 175.510 -0.143 0.000 1.030 234 N CA 1.839 54.808 53.050 -0.136 0.000 0.856 234 N CB -0.418 37.994 38.487 -0.125 0.000 1.023 234 N HN 0.600 nan 8.380 nan 0.000 0.424 235 K N 0.667 120.970 120.400 -0.162 0.000 2.032 235 K HA -0.051 4.269 4.320 -0.000 0.000 0.209 235 K C 2.129 178.689 176.600 -0.066 0.000 1.048 235 K CA 1.058 57.268 56.287 -0.129 0.000 0.927 235 K CB -0.187 32.200 32.500 -0.189 0.000 0.712 235 K HN 0.239 nan 8.250 nan 0.000 0.441 236 I N 0.327 120.838 120.570 -0.098 0.000 2.226 236 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 236 I C 2.491 178.621 176.117 0.021 0.000 1.100 236 I CA 1.430 62.717 61.300 -0.023 0.000 1.374 236 I CB -1.240 36.724 38.000 -0.060 0.000 1.057 236 I HN 0.266 nan 8.210 nan 0.000 0.413 237 G N 1.777 110.533 108.800 -0.072 0.000 2.514 237 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.217 237 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.217 237 G C 1.524 176.307 174.900 -0.195 0.000 1.198 237 G CA 1.284 46.269 45.100 -0.192 0.000 0.780 237 G HN 0.614 nan 8.290 nan 0.000 0.565 238 E N -0.500 119.616 120.200 -0.140 0.000 2.130 238 E HA -0.298 4.052 4.350 -0.000 0.000 0.196 238 E C 2.106 178.705 176.600 -0.001 0.000 0.998 238 E CA 1.565 57.910 56.400 -0.092 0.000 0.806 238 E CB -0.528 29.126 29.700 -0.076 0.000 0.738 238 E HN 0.629 nan 8.360 nan 0.000 0.459 239 H N 0.466 119.538 119.070 0.004 0.000 2.395 239 H HA -0.015 4.541 4.556 -0.001 0.000 0.299 239 H C 1.953 177.365 175.328 0.140 0.000 1.070 239 H CA 1.746 57.832 56.048 0.064 0.000 1.356 239 H CB -0.042 29.706 29.762 -0.023 0.000 1.401 239 H HN 0.302 nan 8.280 nan 0.000 0.524 240 M N 0.249 119.963 119.600 0.190 0.000 2.132 240 M HA -0.124 4.355 4.480 -0.000 0.000 0.263 240 M C 2.401 178.859 176.300 0.264 0.000 1.065 240 M CA 1.639 57.095 55.300 0.261 0.000 1.122 240 M CB -0.293 32.548 32.600 0.402 0.000 1.365 240 M HN 0.274 nan 8.290 nan 0.000 0.411 241 E N 0.960 121.304 120.200 0.239 0.000 2.110 241 E HA -0.194 4.155 4.350 -0.000 0.000 0.193 241 E C 1.501 178.153 176.600 0.086 0.000 0.988 241 E CA 1.169 57.703 56.400 0.222 0.000 0.804 241 E CB 0.135 29.849 29.700 0.024 0.000 0.745 241 E HN 0.531 nan 8.360 nan 0.000 0.458 242 E N -0.892 119.320 120.200 0.021 0.000 2.427 242 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 242 E C 0.119 176.587 176.600 -0.219 0.000 1.028 242 E CA 0.430 56.773 56.400 -0.095 0.000 0.864 242 E CB 0.120 29.746 29.700 -0.124 0.000 0.813 242 E HN 0.372 nan 8.360 nan 0.000 0.514 243 H N -0.912 118.058 119.070 -0.167 0.000 2.474 243 H HA 0.316 4.871 4.556 -0.001 0.000 0.250 243 H C 0.684 175.991 175.328 -0.034 0.000 1.307 243 H CA 0.206 56.177 56.048 -0.128 0.000 1.058 243 H CB 0.747 30.388 29.762 -0.202 0.000 1.693 243 H HN 0.243 nan 8.280 nan 0.000 0.552 244 G N 0.384 109.216 108.800 0.053 0.000 4.686 244 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.235 244 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.235 244 G C 0.095 175.022 174.900 0.045 0.000 1.589 244 G CA -0.364 44.763 45.100 0.044 0.000 1.172 244 G HN 0.260 nan 8.290 nan 0.000 0.660 245 I N 3.617 124.215 120.570 0.046 0.000 3.252 245 I HA 0.046 4.216 4.170 -0.000 0.000 0.331 245 I C 1.083 177.187 176.117 -0.020 0.000 1.237 245 I CA 1.120 62.398 61.300 -0.036 0.000 1.436 245 I CB 0.079 38.056 38.000 -0.040 0.000 1.338 245 I HN 0.307 nan 8.210 nan 0.000 0.512 246 K N 6.668 127.004 120.400 -0.107 0.000 2.118 246 K HA 0.616 4.936 4.320 -0.000 0.000 0.264 246 K C -0.772 175.716 176.600 -0.186 0.000 1.000 246 K CA -0.439 55.843 56.287 -0.008 0.000 0.929 246 K CB 1.042 33.547 32.500 0.009 0.000 1.021 246 K HN 0.240 nan 8.250 nan 0.000 0.463 247 F N 1.254 121.215 119.950 0.018 0.000 2.563 247 F HA 0.490 5.017 4.527 -0.001 0.000 0.316 247 F C -0.028 175.801 175.800 0.048 0.000 1.076 247 F CA -1.027 56.988 58.000 0.025 0.000 0.921 247 F CB 1.515 40.528 39.000 0.022 0.000 1.209 247 F HN 0.154 nan 8.300 nan 0.000 0.462 248 I N 3.797 124.503 120.570 0.227 0.000 2.439 248 I HA 0.394 4.563 4.170 -0.000 0.000 0.283 248 I C -0.627 175.667 176.117 0.295 0.000 1.023 248 I CA -0.801 60.634 61.300 0.225 0.000 1.100 248 I CB 1.105 39.175 38.000 0.118 0.000 1.238 248 I HN 0.419 nan 8.210 nan 0.000 0.445 249 R N 4.212 124.886 120.500 0.290 0.000 2.486 249 R HA 0.440 4.780 4.340 -0.000 0.000 0.286 249 R C -0.235 176.137 176.300 0.120 0.000 0.999 249 R CA -0.808 55.407 56.100 0.193 0.000 0.993 249 R CB 1.104 31.468 30.300 0.106 0.000 1.084 249 R HN 0.530 nan 8.270 nan 0.000 0.487 250 Q N 0.393 120.212 119.800 0.033 0.000 2.460 250 Q HA -0.200 4.140 4.340 -0.000 0.000 0.311 250 Q C -1.481 174.349 176.000 -0.284 0.000 1.396 250 Q CA 0.968 56.696 55.803 -0.124 0.000 0.838 250 Q CB -1.351 27.253 28.738 -0.225 0.000 1.140 250 Q HN 0.475 nan 8.270 nan 0.000 0.415 251 F N -1.335 118.632 119.950 0.028 0.000 2.604 251 F HA 0.577 5.104 4.527 -0.001 0.000 0.316 251 F C -0.222 175.591 175.800 0.020 0.000 1.136 251 F CA -1.139 56.876 58.000 0.025 0.000 0.989 251 F CB 1.650 40.668 39.000 0.030 0.000 1.258 251 F HN -0.167 nan 8.300 nan 0.000 0.451 252 V N 4.287 124.347 119.914 0.243 0.000 2.628 252 V HA 0.525 4.645 4.120 -0.000 0.000 0.306 252 V C -2.228 173.942 176.094 0.127 0.000 1.045 252 V CA -2.092 60.291 62.300 0.139 0.000 0.905 252 V CB 1.959 33.838 31.823 0.094 0.000 0.997 252 V HN 0.426 nan 8.190 nan 0.000 0.436 253 P HA 0.320 nan 4.420 nan 0.000 0.275 253 P C 0.395 177.735 177.300 0.066 0.000 1.228 253 P CA -0.027 63.110 63.100 0.061 0.000 0.786 253 P CB 1.169 32.890 31.700 0.036 0.000 0.927 254 I N -1.025 119.582 120.570 0.061 0.000 4.323 254 I HA 0.389 4.559 4.170 -0.000 0.000 0.328 254 I C 0.475 176.625 176.117 0.056 0.000 1.310 254 I CA -0.021 61.315 61.300 0.059 0.000 1.186 254 I CB 0.163 38.198 38.000 0.058 0.000 1.130 254 I HN 0.236 nan 8.210 nan 0.000 0.411 255 K N 1.210 121.643 120.400 0.055 0.000 2.589 255 K HA 0.621 4.940 4.320 -0.000 0.000 0.265 255 K C -2.090 174.548 176.600 0.063 0.000 0.935 255 K CA -0.603 55.721 56.287 0.062 0.000 0.850 255 K CB 2.832 35.360 32.500 0.048 0.000 1.372 255 K HN -0.101 nan 8.250 nan 0.000 0.420 256 V N 2.837 122.807 119.914 0.093 0.000 2.588 256 V HA 0.522 4.641 4.120 -0.000 0.000 0.304 256 V C -1.232 174.878 176.094 0.027 0.000 1.042 256 V CA -0.501 61.848 62.300 0.082 0.000 0.877 256 V CB 1.513 33.431 31.823 0.159 0.000 0.996 256 V HN 0.925 nan 8.190 nan 0.000 0.425 257 E N 2.868 122.983 120.200 -0.142 0.000 2.314 257 E HA 0.528 4.878 4.350 -0.000 0.000 0.272 257 E C -0.892 175.403 176.600 -0.508 0.000 0.884 257 E CA -0.980 55.208 56.400 -0.354 0.000 0.753 257 E CB 2.162 31.764 29.700 -0.163 0.000 1.213 257 E HN 0.572 nan 8.360 nan 0.000 0.432 258 Q N 3.441 122.741 119.800 -0.834 0.000 2.348 258 Q HA 0.093 4.433 4.340 -0.000 0.000 0.251 258 Q C 0.156 176.002 176.000 -0.257 0.000 1.113 258 Q CA -0.294 55.179 55.803 -0.550 0.000 0.902 258 Q CB 0.368 28.743 28.738 -0.605 0.000 1.333 258 Q HN 0.675 nan 8.270 nan 0.000 0.457 259 I N 2.837 123.299 120.570 -0.181 0.000 3.001 259 I HA -0.046 4.124 4.170 -0.000 0.000 0.268 259 I C 0.268 176.328 176.117 -0.095 0.000 1.267 259 I CA 1.066 62.295 61.300 -0.119 0.000 1.472 259 I CB -1.216 36.724 38.000 -0.099 0.000 1.089 259 I HN 0.769 nan 8.210 nan 0.000 0.468 260 E N 0.201 120.342 120.200 -0.098 0.000 3.683 260 E HA 0.368 4.718 4.350 -0.000 0.000 0.388 260 E C -0.985 175.577 176.600 -0.063 0.000 1.016 260 E CA -0.268 56.090 56.400 -0.070 0.000 0.784 260 E CB 0.397 30.060 29.700 -0.063 0.000 1.309 260 E HN 0.051 nan 8.360 nan 0.000 0.485 261 A N 2.715 125.511 122.820 -0.040 0.000 2.448 261 A HA 0.752 5.072 4.320 -0.000 0.000 0.239 261 A C 0.797 178.344 177.584 -0.062 0.000 1.080 261 A CA 0.956 52.976 52.037 -0.029 0.000 0.779 261 A CB 0.461 19.464 19.000 0.005 0.000 1.026 261 A HN 1.078 nan 8.150 nan 0.000 0.499 262 G N -1.232 107.510 108.800 -0.097 0.000 2.315 262 G HA2 0.524 4.484 3.960 -0.000 0.000 0.294 262 G HA3 0.524 4.484 3.960 -0.000 0.000 0.294 262 G C -0.544 174.172 174.900 -0.308 0.000 1.300 262 G CA 0.220 45.230 45.100 -0.151 0.000 0.843 262 G HN 1.666 nan 8.290 nan 0.000 0.527 263 T N -0.038 114.301 114.554 -0.358 0.000 3.401 263 T HA 0.682 5.032 4.350 -0.000 0.000 0.341 263 T C -2.308 172.062 174.700 -0.549 0.000 1.674 263 T CA -1.070 60.614 62.100 -0.694 0.000 1.600 263 T CB 1.411 70.093 68.868 -0.309 0.000 0.974 263 T HN 0.547 nan 8.240 nan 0.000 0.672 264 P HA 0.553 nan 4.420 nan 0.000 0.280 264 P C 0.624 177.744 177.300 -0.300 0.000 1.272 264 P CA -0.271 62.459 63.100 -0.617 0.000 0.819 264 P CB 1.353 32.871 31.700 -0.303 0.000 1.122 265 G N 0.691 109.359 108.800 -0.221 0.000 2.975 265 G HA2 0.434 4.394 3.960 -0.000 0.000 0.159 265 G HA3 0.434 4.394 3.960 -0.000 0.000 0.159 265 G C -0.496 174.350 174.900 -0.090 0.000 1.525 265 G CA -0.609 44.413 45.100 -0.129 0.000 1.075 265 G HN 0.501 nan 8.290 nan 0.000 0.574 266 R N -0.963 119.492 120.500 -0.075 0.000 2.522 266 R HA 0.473 4.813 4.340 -0.000 0.000 0.283 266 R C -1.575 174.679 176.300 -0.075 0.000 1.074 266 R CA -0.459 55.602 56.100 -0.065 0.000 0.925 266 R CB 1.792 32.049 30.300 -0.072 0.000 1.205 266 R HN 0.269 nan 8.270 nan 0.000 0.436 267 L N 1.487 122.682 121.223 -0.045 0.000 2.301 267 L HA 0.655 4.995 4.340 -0.000 0.000 0.264 267 L C -0.205 176.645 176.870 -0.033 0.000 1.016 267 L CA -0.981 53.820 54.840 -0.065 0.000 0.821 267 L CB 2.017 44.065 42.059 -0.017 0.000 1.346 267 L HN 0.387 nan 8.230 nan 0.000 0.429 268 R N 0.894 121.364 120.500 -0.051 0.000 2.476 268 R HA 0.679 5.019 4.340 -0.000 0.000 0.305 268 R C -1.928 174.378 176.300 0.010 0.000 0.965 268 R CA -0.470 55.611 56.100 -0.032 0.000 0.867 268 R CB 1.799 32.059 30.300 -0.068 0.000 1.176 268 R HN 0.450 nan 8.270 nan 0.000 0.447 269 V N 4.676 124.635 119.914 0.075 0.000 2.472 269 V HA 0.409 4.529 4.120 -0.000 0.000 0.290 269 V C -0.219 175.897 176.094 0.036 0.000 1.037 269 V CA -0.757 61.589 62.300 0.078 0.000 0.908 269 V CB 1.810 33.711 31.823 0.130 0.000 0.985 269 V HN 0.483 nan 8.190 nan 0.000 0.454 270 V N 4.029 123.955 119.914 0.020 0.000 2.409 270 V HA 0.827 4.946 4.120 -0.000 0.000 0.291 270 V C 0.226 176.326 176.094 0.010 0.000 1.020 270 V CA -0.238 62.064 62.300 0.003 0.000 0.848 270 V CB 1.527 33.355 31.823 0.009 0.000 0.990 270 V HN 1.047 nan 8.190 nan 0.000 0.430 271 A N 4.607 127.413 122.820 -0.022 0.000 2.401 271 A HA 0.867 5.187 4.320 -0.000 0.000 0.310 271 A C -0.795 176.859 177.584 0.116 0.000 1.075 271 A CA -0.705 51.343 52.037 0.018 0.000 0.746 271 A CB 1.858 20.827 19.000 -0.052 0.000 1.277 271 A HN 0.770 nan 8.150 nan 0.000 0.425 272 Q N 1.061 121.013 119.800 0.254 0.000 2.312 272 Q HA 0.557 4.897 4.340 -0.000 0.000 0.263 272 Q C 0.002 176.253 176.000 0.419 0.000 0.995 272 Q CA -0.385 55.606 55.803 0.314 0.000 0.853 272 Q CB 1.595 30.425 28.738 0.154 0.000 1.300 272 Q HN 0.948 nan 8.270 nan 0.000 0.448 273 S N 1.750 117.620 115.700 0.284 0.000 2.566 273 S HA -0.028 4.442 4.470 -0.000 0.000 0.280 273 S C 0.697 175.198 174.600 -0.164 0.000 1.343 273 S CA 0.624 58.614 58.200 -0.350 0.000 1.036 273 S CB 0.822 63.807 63.200 -0.357 0.000 0.866 273 S HN 0.812 nan 8.310 nan 0.000 0.526 274 T N 1.329 115.737 114.554 -0.243 0.000 3.122 274 T HA 0.197 4.547 4.350 -0.000 0.000 0.250 274 T C 0.532 175.173 174.700 -0.098 0.000 1.067 274 T CA 0.631 62.662 62.100 -0.115 0.000 0.966 274 T CB -0.755 68.054 68.868 -0.098 0.000 1.002 274 T HN 0.836 nan 8.240 nan 0.000 0.542 275 N N -0.270 118.356 118.700 -0.123 0.000 1.899 275 N HA 0.132 4.872 4.740 -0.000 0.000 0.223 275 N C -0.210 175.257 175.510 -0.072 0.000 1.411 275 N CA 0.037 53.036 53.050 -0.085 0.000 0.737 275 N CB 0.317 38.751 38.487 -0.089 0.000 1.100 275 N HN 0.275 nan 8.380 nan 0.000 0.527 276 S N -0.952 114.700 115.700 -0.079 0.000 2.661 276 S HA 0.471 4.941 4.470 -0.000 0.000 0.285 276 S C -0.196 174.396 174.600 -0.014 0.000 1.138 276 S CA -0.630 57.544 58.200 -0.043 0.000 0.855 276 S CB 2.115 65.285 63.200 -0.049 0.000 1.136 276 S HN 0.039 nan 8.310 nan 0.000 0.484 277 E N 0.178 120.383 120.200 0.009 0.000 2.465 277 E HA 0.122 4.471 4.350 -0.000 0.000 0.191 277 E C 0.118 176.750 176.600 0.053 0.000 1.053 277 E CA -0.091 56.324 56.400 0.026 0.000 0.869 277 E CB 0.194 29.907 29.700 0.021 0.000 0.977 277 E HN 0.664 nan 8.360 nan 0.000 0.483 278 E N 1.053 121.293 120.200 0.067 0.000 2.413 278 E HA 0.070 4.419 4.350 -0.000 0.000 0.263 278 E C -0.568 176.153 176.600 0.202 0.000 1.015 278 E CA 0.385 56.861 56.400 0.126 0.000 0.916 278 E CB 0.558 30.352 29.700 0.156 0.000 0.947 278 E HN 0.086 nan 8.360 nan 0.000 0.440 279 I N 5.725 126.393 120.570 0.164 0.000 2.619 279 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 279 I C -0.179 175.969 176.117 0.050 0.000 1.100 279 I CA -0.903 60.478 61.300 0.135 0.000 1.043 279 I CB 1.620 39.666 38.000 0.077 0.000 1.239 279 I HN 0.518 nan 8.210 nan 0.000 0.420 280 I N 2.787 123.326 120.570 -0.051 0.000 3.206 280 I HA 0.734 4.903 4.170 -0.000 0.000 0.313 280 I C -1.459 174.588 176.117 -0.118 0.000 1.103 280 I CA -0.526 60.695 61.300 -0.132 0.000 0.985 280 I CB 2.527 40.342 38.000 -0.309 0.000 1.240 280 I HN 0.774 nan 8.210 nan 0.000 0.464 281 E N 1.565 121.700 120.200 -0.107 0.000 2.335 281 E HA 0.702 5.052 4.350 -0.000 0.000 0.280 281 E C -1.533 175.007 176.600 -0.100 0.000 0.918 281 E CA -0.870 55.483 56.400 -0.079 0.000 0.765 281 E CB 2.131 31.795 29.700 -0.059 0.000 1.218 281 E HN 1.032 nan 8.360 nan 0.000 0.425 282 G N 1.314 110.059 108.800 -0.092 0.000 2.672 282 G HA2 0.427 4.387 3.960 -0.000 0.000 0.292 282 G HA3 0.427 4.387 3.960 -0.000 0.000 0.292 282 G C -1.580 173.125 174.900 -0.325 0.000 1.375 282 G CA -0.741 44.214 45.100 -0.242 0.000 0.890 282 G HN 0.577 nan 8.290 nan 0.000 0.476 283 E N -0.295 119.611 120.200 -0.491 0.000 2.179 283 E HA 0.643 4.993 4.350 -0.000 0.000 0.275 283 E C -1.465 174.769 176.600 -0.611 0.000 0.945 283 E CA -0.648 55.528 56.400 -0.374 0.000 0.792 283 E CB 1.330 30.891 29.700 -0.232 0.000 1.125 283 E HN 0.451 nan 8.360 nan 0.000 0.397 284 Y N 1.718 121.977 120.300 -0.068 0.000 2.588 284 Y HA 0.241 4.790 4.550 -0.001 0.000 0.343 284 Y C 0.733 176.596 175.900 -0.063 0.000 1.065 284 Y CA -0.841 57.221 58.100 -0.064 0.000 1.038 284 Y CB 1.878 40.300 38.460 -0.064 0.000 1.297 284 Y HN 0.553 nan 8.280 nan 0.000 0.467 285 N N -0.546 118.224 118.700 0.116 0.000 2.333 285 N HA 0.036 4.775 4.740 -0.000 0.000 0.178 285 N C -0.438 175.095 175.510 0.038 0.000 1.018 285 N CA 0.918 53.988 53.050 0.033 0.000 0.882 285 N CB 0.361 38.849 38.487 0.002 0.000 0.984 285 N HN 0.468 nan 8.380 nan 0.000 0.434 286 T N 0.174 114.756 114.554 0.045 0.000 2.903 286 T HA 0.473 4.823 4.350 -0.000 0.000 0.299 286 T C -1.102 173.574 174.700 -0.040 0.000 1.093 286 T CA -0.528 61.583 62.100 0.019 0.000 1.002 286 T CB 3.076 71.939 68.868 -0.007 0.000 1.127 286 T HN -0.351 nan 8.240 nan 0.000 0.488 287 V N 2.765 122.652 119.914 -0.044 0.000 2.498 287 V HA 0.430 4.550 4.120 -0.000 0.000 0.283 287 V C -0.410 175.626 176.094 -0.096 0.000 1.015 287 V CA -0.715 61.519 62.300 -0.111 0.000 0.867 287 V CB 1.413 33.201 31.823 -0.058 0.000 1.025 287 V HN 0.916 nan 8.190 nan 0.000 0.441 288 M N 5.654 125.167 119.600 -0.146 0.000 2.188 288 M HA 0.532 5.012 4.480 -0.000 0.000 0.357 288 M C -1.438 174.768 176.300 -0.156 0.000 1.204 288 M CA -0.427 54.786 55.300 -0.146 0.000 1.095 288 M CB 0.968 33.466 32.600 -0.170 0.000 1.604 288 M HN 0.404 nan 8.290 nan 0.000 0.464 289 L N 5.320 126.438 121.223 -0.174 0.000 2.257 289 L HA 0.532 4.872 4.340 -0.000 0.000 0.290 289 L C -0.223 176.525 176.870 -0.204 0.000 1.044 289 L CA -0.088 54.636 54.840 -0.193 0.000 0.810 289 L CB 0.993 42.884 42.059 -0.280 0.000 1.193 289 L HN 0.959 nan 8.230 nan 0.000 0.425 290 A N 4.492 127.220 122.820 -0.154 0.000 3.355 290 A HA 0.358 4.678 4.320 -0.000 0.000 0.290 290 A C 0.617 178.137 177.584 -0.106 0.000 0.973 290 A CA -0.347 51.607 52.037 -0.138 0.000 0.933 290 A CB -0.080 18.842 19.000 -0.129 0.000 1.138 290 A HN 0.724 nan 8.150 nan 0.000 0.490 291 I N -3.458 117.055 120.570 -0.095 0.000 3.854 291 I HA 0.657 4.827 4.170 -0.000 0.000 0.312 291 I C 0.671 176.765 176.117 -0.038 0.000 1.273 291 I CA 0.527 61.794 61.300 -0.054 0.000 1.298 291 I CB 0.567 38.548 38.000 -0.033 0.000 1.071 291 I HN 0.522 nan 8.210 nan 0.000 0.428 292 G N 0.428 109.198 108.800 -0.050 0.000 2.320 292 G HA2 0.427 4.387 3.960 -0.000 0.000 0.297 292 G HA3 0.427 4.387 3.960 -0.000 0.000 0.297 292 G C -1.598 173.292 174.900 -0.017 0.000 1.344 292 G CA -1.156 43.929 45.100 -0.025 0.000 0.851 292 G HN 0.173 nan 8.290 nan 0.000 0.567 293 R N -0.266 120.240 120.500 0.010 0.000 2.744 293 R HA 0.552 4.892 4.340 -0.000 0.000 0.279 293 R C -1.703 174.628 176.300 0.052 0.000 0.977 293 R CA -0.966 55.154 56.100 0.032 0.000 0.906 293 R CB 2.362 32.683 30.300 0.036 0.000 1.197 293 R HN 0.474 nan 8.270 nan 0.000 0.463 294 D N 1.091 121.533 120.400 0.069 0.000 2.256 294 D HA 0.270 4.910 4.640 -0.000 0.000 0.246 294 D C -0.476 175.868 176.300 0.074 0.000 1.042 294 D CA -0.372 53.670 54.000 0.071 0.000 0.841 294 D CB 2.036 42.884 40.800 0.080 0.000 1.223 294 D HN 0.587 nan 8.370 nan 0.000 0.470 295 A N 1.611 124.469 122.820 0.063 0.000 2.524 295 A HA 0.072 4.392 4.320 -0.000 0.000 0.250 295 A C 0.501 178.126 177.584 0.068 0.000 1.078 295 A CA -0.133 51.940 52.037 0.061 0.000 0.761 295 A CB -0.123 18.907 19.000 0.049 0.000 1.012 295 A HN 0.700 nan 8.150 nan 0.000 0.500 296 C N 3.620 122.962 119.300 0.071 0.000 2.615 296 C HA 0.344 4.804 4.460 -0.000 0.000 0.503 296 C C 1.677 176.706 174.990 0.065 0.000 1.039 296 C CA 0.332 59.396 59.018 0.076 0.000 1.226 296 C CB -2.164 25.622 27.740 0.075 0.000 1.447 296 C HN 0.915 nan 8.230 nan 0.000 0.572 297 T N -2.710 111.883 114.554 0.065 0.000 3.016 297 T HA 0.121 4.471 4.350 -0.000 0.000 0.271 297 T C 1.600 176.339 174.700 0.066 0.000 0.968 297 T CA -0.175 61.962 62.100 0.061 0.000 0.891 297 T CB 0.080 68.976 68.868 0.047 0.000 1.149 297 T HN 0.515 nan 8.240 nan 0.000 0.524 298 R N 1.839 122.382 120.500 0.072 0.000 2.066 298 R HA 0.206 4.546 4.340 -0.000 0.000 0.224 298 R C 0.925 177.275 176.300 0.082 0.000 1.122 298 R CA 0.710 56.850 56.100 0.067 0.000 0.974 298 R CB -0.008 30.327 30.300 0.058 0.000 0.871 298 R HN 0.301 nan 8.270 nan 0.000 0.435 299 K N 1.822 122.289 120.400 0.111 0.000 3.173 299 K HA 0.174 4.493 4.320 -0.000 0.000 0.255 299 K C 0.570 177.288 176.600 0.197 0.000 1.235 299 K CA 0.135 56.504 56.287 0.136 0.000 1.250 299 K CB 0.126 32.712 32.500 0.143 0.000 1.382 299 K HN 0.343 nan 8.250 nan 0.000 0.421 300 I N -3.763 116.900 120.570 0.156 0.000 3.817 300 I HA 0.319 4.489 4.170 -0.000 0.000 0.325 300 I C 0.503 176.728 176.117 0.180 0.000 1.550 300 I CA -0.742 60.653 61.300 0.160 0.000 1.100 300 I CB 0.569 38.621 38.000 0.086 0.000 1.216 300 I HN 0.203 nan 8.210 nan 0.000 0.481 301 G N 2.402 111.291 108.800 0.148 0.000 2.323 301 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.292 301 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.292 301 G C 0.617 175.601 174.900 0.141 0.000 1.040 301 G CA 0.642 45.824 45.100 0.136 0.000 0.942 301 G HN 0.540 nan 8.290 nan 0.000 0.506 302 L N -0.762 120.523 121.223 0.104 0.000 2.265 302 L HA -0.087 4.253 4.340 -0.000 0.000 0.215 302 L C 2.766 179.599 176.870 -0.062 0.000 1.117 302 L CA 1.927 56.773 54.840 0.009 0.000 0.782 302 L CB -0.303 41.758 42.059 0.004 0.000 0.914 302 L HN 0.544 nan 8.230 nan 0.000 0.441 303 E N -0.715 119.475 120.200 -0.017 0.000 2.106 303 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 303 E C 1.995 178.574 176.600 -0.034 0.000 0.984 303 E CA 1.531 57.915 56.400 -0.027 0.000 0.806 303 E CB -1.050 28.648 29.700 -0.004 0.000 0.750 303 E HN 0.394 nan 8.360 nan 0.000 0.458 304 T N -0.749 113.797 114.554 -0.013 0.000 2.996 304 T HA -0.099 4.251 4.350 -0.000 0.000 0.271 304 T C 1.472 176.144 174.700 -0.046 0.000 1.126 304 T CA 1.344 63.443 62.100 -0.003 0.000 1.103 304 T CB -0.346 68.549 68.868 0.044 0.000 0.870 304 T HN 0.220 nan 8.240 nan 0.000 0.528 305 V N -4.268 115.560 119.914 -0.142 0.000 3.398 305 V HA 0.719 4.839 4.120 -0.000 0.000 0.298 305 V C 1.683 177.662 176.094 -0.192 0.000 1.496 305 V CA 0.074 62.247 62.300 -0.211 0.000 1.044 305 V CB -0.397 31.103 31.823 -0.538 0.000 0.880 305 V HN 0.590 nan 8.190 nan 0.000 0.443 306 G N 0.731 109.438 108.800 -0.155 0.000 2.157 306 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.239 306 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.239 306 G C 0.075 174.885 174.900 -0.151 0.000 0.982 306 G CA -0.041 44.986 45.100 -0.122 0.000 0.650 306 G HN 0.784 nan 8.290 nan 0.000 0.527 307 V N 1.575 121.364 119.914 -0.209 0.000 2.446 307 V HA 0.267 4.386 4.120 -0.000 0.000 0.276 307 V C 1.010 177.038 176.094 -0.110 0.000 1.030 307 V CA 0.562 62.748 62.300 -0.190 0.000 1.033 307 V CB 1.180 32.864 31.823 -0.232 0.000 0.993 307 V HN 0.452 nan 8.190 nan 0.000 0.477 308 K N 7.035 127.380 120.400 -0.092 0.000 2.312 308 K HA 0.530 4.850 4.320 -0.000 0.000 0.287 308 K C -0.361 176.211 176.600 -0.047 0.000 1.062 308 K CA -0.367 55.884 56.287 -0.060 0.000 0.934 308 K CB 0.535 33.003 32.500 -0.053 0.000 1.027 308 K HN 0.789 nan 8.250 nan 0.000 0.478 309 I N 1.103 121.654 120.570 -0.031 0.000 2.892 309 I HA 0.384 4.554 4.170 -0.000 0.000 0.306 309 I C -0.851 175.259 176.117 -0.012 0.000 1.078 309 I CA -1.110 60.179 61.300 -0.019 0.000 1.032 309 I CB 1.934 39.929 38.000 -0.008 0.000 1.229 309 I HN 0.558 nan 8.210 nan 0.000 0.435 310 N N 4.286 122.981 118.700 -0.008 0.000 2.406 310 N HA -0.008 4.732 4.740 -0.000 0.000 0.274 310 N C 0.688 176.200 175.510 0.002 0.000 1.249 310 N CA 0.238 53.285 53.050 -0.004 0.000 0.951 310 N CB 0.591 39.076 38.487 -0.004 0.000 1.241 310 N HN 0.602 nan 8.380 nan 0.000 0.485 311 E N 3.129 123.330 120.200 0.002 0.000 2.333 311 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 311 E C 1.139 177.745 176.600 0.011 0.000 1.007 311 E CA 0.761 57.166 56.400 0.007 0.000 0.845 311 E CB 0.269 29.973 29.700 0.005 0.000 0.766 311 E HN 0.684 nan 8.360 nan 0.000 0.507 312 K N 0.734 121.139 120.400 0.010 0.000 2.005 312 K HA -0.097 4.222 4.320 -0.000 0.000 0.206 312 K C 2.343 178.954 176.600 0.017 0.000 1.044 312 K CA 1.824 58.119 56.287 0.013 0.000 0.942 312 K CB -0.057 32.449 32.500 0.010 0.000 0.727 312 K HN 0.166 nan 8.250 nan 0.000 0.439 313 T N -3.379 111.184 114.554 0.016 0.000 2.896 313 T HA 0.128 4.478 4.350 -0.000 0.000 0.263 313 T C 1.538 176.252 174.700 0.024 0.000 1.050 313 T CA 1.172 63.284 62.100 0.020 0.000 1.140 313 T CB 0.059 68.936 68.868 0.015 0.000 0.877 313 T HN 0.490 nan 8.240 nan 0.000 0.457 314 G N 1.131 109.944 108.800 0.021 0.000 2.238 314 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 314 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 314 G C 0.039 174.952 174.900 0.022 0.000 0.996 314 G CA -0.074 45.042 45.100 0.026 0.000 0.632 314 G HN 0.681 nan 8.290 nan 0.000 0.503 315 K N 0.574 120.984 120.400 0.016 0.000 2.270 315 K HA 0.522 4.841 4.320 -0.000 0.000 0.276 315 K C 0.418 177.017 176.600 -0.001 0.000 1.023 315 K CA -0.341 55.951 56.287 0.009 0.000 0.955 315 K CB 1.100 33.601 32.500 0.003 0.000 0.975 315 K HN 0.263 nan 8.250 nan 0.000 0.471 316 I N 5.564 126.133 120.570 -0.002 0.000 2.322 316 I HA 0.114 4.284 4.170 -0.000 0.000 0.292 316 I C -2.081 174.022 176.117 -0.024 0.000 1.060 316 I CA -2.262 59.031 61.300 -0.012 0.000 1.309 316 I CB 0.596 38.593 38.000 -0.005 0.000 1.415 316 I HN 0.252 nan 8.210 nan 0.000 0.492 317 P HA 0.184 nan 4.420 nan 0.000 0.269 317 P C -0.563 176.715 177.300 -0.036 0.000 1.209 317 P CA -0.040 63.039 63.100 -0.034 0.000 0.776 317 P CB 1.198 32.879 31.700 -0.032 0.000 0.876 318 V N 0.880 120.774 119.914 -0.033 0.000 3.216 318 V HA 0.410 4.530 4.120 -0.000 0.000 0.302 318 V C 0.018 176.110 176.094 -0.003 0.000 1.286 318 V CA -0.471 61.818 62.300 -0.018 0.000 1.048 318 V CB 2.484 34.307 31.823 0.001 0.000 1.081 318 V HN 0.722 nan 8.190 nan 0.000 0.442 319 T N -0.486 114.081 114.554 0.022 0.000 2.732 319 T HA 0.223 4.573 4.350 -0.000 0.000 0.287 319 T C 0.723 175.464 174.700 0.068 0.000 0.993 319 T CA 0.438 62.561 62.100 0.039 0.000 0.966 319 T CB 0.376 69.275 68.868 0.052 0.000 1.047 319 T HN 0.846 nan 8.240 nan 0.000 0.527 320 D N -1.170 119.274 120.400 0.074 0.000 2.378 320 D HA -0.024 4.616 4.640 -0.000 0.000 0.227 320 D C 1.034 177.407 176.300 0.123 0.000 1.012 320 D CA 0.424 54.488 54.000 0.106 0.000 0.905 320 D CB -0.169 40.681 40.800 0.084 0.000 0.895 320 D HN 0.753 nan 8.370 nan 0.000 0.532 321 E N -0.074 120.197 120.200 0.119 0.000 2.548 321 E HA 0.064 4.414 4.350 -0.000 0.000 0.206 321 E C -0.309 176.393 176.600 0.169 0.000 1.005 321 E CA -0.130 56.341 56.400 0.118 0.000 0.951 321 E CB 0.399 30.166 29.700 0.112 0.000 1.035 321 E HN -0.005 nan 8.360 nan 0.000 0.470 322 E N 0.686 120.996 120.200 0.183 0.000 2.957 322 E HA -0.210 4.140 4.350 -0.000 0.000 0.287 322 E C -0.348 176.451 176.600 0.331 0.000 0.976 322 E CA 0.651 57.175 56.400 0.207 0.000 0.907 322 E CB -1.700 28.107 29.700 0.180 0.000 1.456 322 E HN 0.325 nan 8.360 nan 0.000 0.421 323 Q N 0.431 120.387 119.800 0.259 0.000 2.230 323 Q HA 0.503 4.843 4.340 -0.000 0.000 0.253 323 Q C 0.531 176.462 176.000 -0.116 0.000 0.919 323 Q CA 0.112 55.912 55.803 -0.005 0.000 0.908 323 Q CB 0.917 29.634 28.738 -0.035 0.000 1.245 323 Q HN 0.298 nan 8.270 nan 0.000 0.437 324 T N -0.106 114.303 114.554 -0.243 0.000 2.865 324 T HA 0.117 4.466 4.350 -0.000 0.000 0.302 324 T C 1.200 175.796 174.700 -0.173 0.000 1.078 324 T CA -0.137 61.858 62.100 -0.175 0.000 0.942 324 T CB 0.147 68.891 68.868 -0.208 0.000 1.387 324 T HN 0.782 nan 8.240 nan 0.000 0.557 325 N N -0.120 118.494 118.700 -0.144 0.000 2.270 325 N HA -0.066 4.674 4.740 -0.000 0.000 0.181 325 N C 0.431 175.859 175.510 -0.137 0.000 1.016 325 N CA 0.456 53.437 53.050 -0.115 0.000 0.870 325 N CB -0.765 37.669 38.487 -0.089 0.000 0.979 325 N HN 0.387 nan 8.380 nan 0.000 0.431 326 V N 3.222 123.011 119.914 -0.207 0.000 2.338 326 V HA 0.143 4.263 4.120 -0.000 0.000 0.255 326 V C -1.319 174.596 176.094 -0.298 0.000 1.082 326 V CA -1.171 60.990 62.300 -0.231 0.000 0.951 326 V CB 0.791 32.389 31.823 -0.376 0.000 1.102 326 V HN -0.027 nan 8.190 nan 0.000 0.489 327 P HA -0.260 nan 4.420 nan 0.000 0.226 327 P C 1.126 178.325 177.300 -0.168 0.000 1.154 327 P CA 2.075 65.099 63.100 -0.127 0.000 0.901 327 P CB -0.085 31.641 31.700 0.043 0.000 0.788 328 Y N -3.046 117.143 120.300 -0.184 0.000 2.466 328 Y HA 0.416 4.965 4.550 -0.000 0.000 0.272 328 Y C 0.496 176.350 175.900 -0.076 0.000 1.169 328 Y CA -0.927 57.117 58.100 -0.094 0.000 1.285 328 Y CB -0.781 37.615 38.460 -0.107 0.000 1.078 328 Y HN -0.131 nan 8.280 nan 0.000 0.523 329 I N 1.613 121.760 120.570 -0.705 0.000 2.389 329 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 329 I C -1.215 174.643 176.117 -0.432 0.000 0.999 329 I CA -0.852 60.160 61.300 -0.480 0.000 1.129 329 I CB 1.070 38.679 38.000 -0.651 0.000 1.288 329 I HN -0.044 nan 8.210 nan 0.000 0.444 330 Y N 4.317 124.606 120.300 -0.019 0.000 2.587 330 Y HA 0.817 5.367 4.550 -0.000 0.000 0.337 330 Y C 0.191 176.109 175.900 0.029 0.000 1.065 330 Y CA -0.911 57.190 58.100 0.001 0.000 1.126 330 Y CB 1.996 40.464 38.460 0.013 0.000 1.279 330 Y HN 0.531 nan 8.280 nan 0.000 0.489 331 A N 1.995 124.929 122.820 0.190 0.000 2.488 331 A HA 0.839 5.159 4.320 -0.000 0.000 0.298 331 A C -1.245 176.406 177.584 0.112 0.000 1.044 331 A CA -0.592 51.520 52.037 0.124 0.000 0.693 331 A CB 0.941 19.985 19.000 0.074 0.000 1.272 331 A HN 0.747 nan 8.150 nan 0.000 0.402 332 I N -0.999 119.629 120.570 0.096 0.000 3.239 332 I HA 0.990 5.159 4.170 -0.000 0.000 0.314 332 I C 0.442 176.605 176.117 0.078 0.000 1.126 332 I CA -0.509 60.848 61.300 0.095 0.000 0.973 332 I CB 2.030 40.086 38.000 0.092 0.000 1.252 332 I HN 1.965 nan 8.210 nan 0.000 0.463 333 G N 1.859 110.711 108.800 0.087 0.000 2.660 333 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.247 333 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.247 333 G C -0.115 174.824 174.900 0.064 0.000 1.328 333 G CA 0.179 45.325 45.100 0.076 0.000 0.884 333 G HN 0.815 nan 8.290 nan 0.000 0.531 334 D N -0.287 120.154 120.400 0.068 0.000 2.172 334 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 334 D C 2.675 179.004 176.300 0.047 0.000 0.999 334 D CA 1.483 55.522 54.000 0.065 0.000 0.856 334 D CB -0.074 40.773 40.800 0.077 0.000 0.934 334 D HN 0.382 nan 8.370 nan 0.000 0.453 335 I N 1.086 121.684 120.570 0.046 0.000 2.300 335 I HA -0.205 3.965 4.170 -0.000 0.000 0.252 335 I C 1.438 177.566 176.117 0.018 0.000 1.119 335 I CA 0.544 61.866 61.300 0.037 0.000 1.384 335 I CB -1.113 36.912 38.000 0.042 0.000 1.062 335 I HN 0.043 nan 8.210 nan 0.000 0.426 336 L N 1.010 122.237 121.223 0.006 0.000 2.482 336 L HA -0.018 4.322 4.340 -0.000 0.000 0.273 336 L C 0.984 177.828 176.870 -0.043 0.000 1.228 336 L CA 0.357 55.179 54.840 -0.029 0.000 0.827 336 L CB 0.171 42.189 42.059 -0.068 0.000 1.099 336 L HN 0.211 nan 8.230 nan 0.000 0.494 337 E N 1.755 121.920 120.200 -0.058 0.000 2.134 337 E HA 0.097 4.447 4.350 -0.000 0.000 0.278 337 E C -1.094 175.456 176.600 -0.083 0.000 0.959 337 E CA -0.495 55.874 56.400 -0.052 0.000 0.783 337 E CB 0.781 30.458 29.700 -0.037 0.000 1.095 337 E HN 0.554 nan 8.360 nan 0.000 0.399 338 D N 2.965 123.322 120.400 -0.071 0.000 2.739 338 D HA -0.149 4.491 4.640 -0.000 0.000 0.240 338 D C -0.341 175.867 176.300 -0.153 0.000 1.114 338 D CA 0.854 54.804 54.000 -0.083 0.000 0.695 338 D CB -0.402 40.356 40.800 -0.068 0.000 1.078 338 D HN 0.401 nan 8.370 nan 0.000 0.434 339 K N -1.030 119.267 120.400 -0.172 0.000 2.041 339 K HA 0.747 5.067 4.320 -0.000 0.000 0.277 339 K C 0.008 176.558 176.600 -0.084 0.000 0.965 339 K CA -0.434 55.676 56.287 -0.295 0.000 1.138 339 K CB 0.722 32.956 32.500 -0.443 0.000 3.194 339 K HN -0.072 nan 8.250 nan 0.000 1.085 340 V N 2.189 122.111 119.914 0.013 0.000 2.524 340 V HA 0.201 4.320 4.120 -0.000 0.000 0.297 340 V C -0.975 175.180 176.094 0.101 0.000 1.035 340 V CA -0.586 61.764 62.300 0.084 0.000 0.867 340 V CB 1.463 33.371 31.823 0.141 0.000 1.004 340 V HN 0.508 nan 8.190 nan 0.000 0.426 341 E N 5.274 125.534 120.200 0.099 0.000 2.346 341 E HA 0.361 4.711 4.350 -0.000 0.000 0.317 341 E C -0.801 175.885 176.600 0.144 0.000 1.404 341 E CA 0.230 56.703 56.400 0.122 0.000 1.534 341 E CB -0.001 29.780 29.700 0.135 0.000 1.309 341 E HN 0.486 nan 8.360 nan 0.000 0.499 342 L N 0.091 121.386 121.223 0.120 0.000 2.386 342 L HA 0.273 4.612 4.340 -0.000 0.000 0.271 342 L C 1.346 178.268 176.870 0.087 0.000 0.993 342 L CA -0.615 54.288 54.840 0.105 0.000 0.819 342 L CB 1.948 44.055 42.059 0.079 0.000 1.294 342 L HN 0.149 nan 8.230 nan 0.000 0.414 343 T N 1.686 116.287 114.554 0.078 0.000 2.592 343 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 343 T C -0.931 173.797 174.700 0.047 0.000 1.060 343 T CA 1.956 64.090 62.100 0.058 0.000 1.167 343 T CB -0.883 68.013 68.868 0.048 0.000 0.863 343 T HN 0.557 nan 8.240 nan 0.000 0.431 344 P HA -0.056 nan 4.420 nan 0.000 0.217 344 P C 1.672 178.984 177.300 0.019 0.000 1.151 344 P CA 0.945 64.059 63.100 0.024 0.000 0.849 344 P CB -0.347 31.363 31.700 0.017 0.000 0.787 345 V N 0.521 120.458 119.914 0.039 0.000 2.358 345 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 345 V C 2.783 178.923 176.094 0.076 0.000 1.047 345 V CA 2.092 64.423 62.300 0.052 0.000 1.035 345 V CB -1.721 30.180 31.823 0.132 0.000 0.658 345 V HN 0.107 nan 8.190 nan 0.000 0.452 346 A N 0.202 123.071 122.820 0.082 0.000 1.858 346 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 346 A C 2.199 179.811 177.584 0.047 0.000 1.190 346 A CA 2.039 54.123 52.037 0.078 0.000 0.617 346 A CB -0.596 18.442 19.000 0.063 0.000 0.827 346 A HN 0.475 nan 8.150 nan 0.000 0.443 347 I N -0.774 119.814 120.570 0.030 0.000 2.208 347 I HA -0.327 3.842 4.170 -0.000 0.000 0.245 347 I C 2.809 178.925 176.117 -0.002 0.000 1.097 347 I CA 1.933 63.241 61.300 0.014 0.000 1.363 347 I CB -0.309 37.700 38.000 0.015 0.000 1.051 347 I HN 0.430 nan 8.210 nan 0.000 0.413 348 Q N 1.125 120.916 119.800 -0.015 0.000 2.030 348 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 348 Q C 2.183 178.156 176.000 -0.046 0.000 0.986 348 Q CA 2.523 58.299 55.803 -0.045 0.000 0.843 348 Q CB -0.419 28.266 28.738 -0.088 0.000 0.904 348 Q HN 0.505 nan 8.270 nan 0.000 0.420 349 A N -0.207 122.598 122.820 -0.026 0.000 1.865 349 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 349 A C 2.337 179.924 177.584 0.006 0.000 1.191 349 A CA 1.917 53.958 52.037 0.007 0.000 0.623 349 A CB -1.614 17.451 19.000 0.108 0.000 0.826 349 A HN 0.575 nan 8.150 nan 0.000 0.444 350 G N -0.903 107.905 108.800 0.014 0.000 2.476 350 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.218 350 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.218 350 G C 1.801 176.692 174.900 -0.014 0.000 1.164 350 G CA 1.052 46.154 45.100 0.003 0.000 0.768 350 G HN 0.522 nan 8.290 nan 0.000 0.560 351 R N -0.410 120.081 120.500 -0.016 0.000 2.082 351 R HA 0.047 4.387 4.340 -0.000 0.000 0.234 351 R C 2.753 179.046 176.300 -0.011 0.000 1.136 351 R CA 1.258 57.348 56.100 -0.018 0.000 0.935 351 R CB -0.601 29.689 30.300 -0.017 0.000 0.842 351 R HN 0.335 nan 8.270 nan 0.000 0.430 352 L N 0.760 121.969 121.223 -0.022 0.000 2.042 352 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 352 L C 2.559 179.402 176.870 -0.045 0.000 1.076 352 L CA 0.901 55.724 54.840 -0.027 0.000 0.749 352 L CB -0.508 41.523 42.059 -0.047 0.000 0.893 352 L HN 0.260 nan 8.230 nan 0.000 0.432 353 L N 0.332 121.515 121.223 -0.066 0.000 1.971 353 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 353 L C 2.666 179.433 176.870 -0.172 0.000 1.072 353 L CA 2.270 57.028 54.840 -0.138 0.000 0.758 353 L CB -0.827 41.147 42.059 -0.141 0.000 0.889 353 L HN 0.161 nan 8.230 nan 0.000 0.433 354 A N -1.254 121.511 122.820 -0.092 0.000 1.948 354 A HA -0.320 4.000 4.320 -0.000 0.000 0.220 354 A C 2.248 179.866 177.584 0.056 0.000 1.177 354 A CA 2.166 54.186 52.037 -0.029 0.000 0.636 354 A CB -0.728 18.309 19.000 0.062 0.000 0.815 354 A HN 0.715 nan 8.150 nan 0.000 0.449 355 Q N -1.016 118.849 119.800 0.108 0.000 2.079 355 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 355 Q C 2.429 178.432 176.000 0.006 0.000 0.974 355 Q CA 1.370 57.287 55.803 0.191 0.000 0.840 355 Q CB -0.118 28.698 28.738 0.130 0.000 0.898 355 Q HN 0.620 nan 8.270 nan 0.000 0.430 356 R N 0.016 120.470 120.500 -0.077 0.000 2.083 356 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 356 R C 2.264 178.450 176.300 -0.190 0.000 1.137 356 R CA 1.220 57.248 56.100 -0.120 0.000 0.951 356 R CB -0.384 29.838 30.300 -0.130 0.000 0.851 356 R HN 0.275 nan 8.270 nan 0.000 0.434 357 L N -0.659 120.348 121.223 -0.360 0.000 1.950 357 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 357 L C 1.765 178.384 176.870 -0.417 0.000 1.079 357 L CA 1.398 55.900 54.840 -0.563 0.000 0.754 357 L CB -0.725 40.626 42.059 -1.180 0.000 0.889 357 L HN 0.199 nan 8.230 nan 0.000 0.433 358 Y N -0.269 120.084 120.300 0.088 0.000 2.465 358 Y HA 0.273 4.823 4.550 -0.000 0.000 0.311 358 Y C 1.175 177.074 175.900 -0.002 0.000 1.204 358 Y CA 0.215 58.397 58.100 0.137 0.000 1.272 358 Y CB -0.593 38.046 38.460 0.298 0.000 1.083 358 Y HN 0.194 nan 8.280 nan 0.000 0.508 359 A N -1.554 121.238 122.820 -0.048 0.000 2.574 359 A HA 0.524 4.844 4.320 -0.000 0.000 0.246 359 A C 1.614 179.100 177.584 -0.163 0.000 1.025 359 A CA 0.183 52.056 52.037 -0.274 0.000 1.043 359 A CB -0.517 18.092 19.000 -0.652 0.000 1.177 359 A HN 0.477 nan 8.150 nan 0.000 0.526 360 G N 0.243 108.987 108.800 -0.093 0.000 2.166 360 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.260 360 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.260 360 G C 0.578 175.441 174.900 -0.062 0.000 0.986 360 G CA 1.056 46.115 45.100 -0.069 0.000 0.683 360 G HN 1.706 nan 8.290 nan 0.000 0.527 361 S N -0.603 115.059 115.700 -0.064 0.000 2.579 361 S HA 0.511 4.981 4.470 -0.000 0.000 0.275 361 S C 1.301 175.876 174.600 -0.041 0.000 1.345 361 S CA 1.377 59.549 58.200 -0.046 0.000 1.031 361 S CB 1.166 64.347 63.200 -0.030 0.000 0.892 361 S HN 1.369 nan 8.310 nan 0.000 0.529 362 T N 2.685 117.219 114.554 -0.033 0.000 3.393 362 T HA 0.322 4.672 4.350 -0.000 0.000 0.298 362 T C -0.689 173.997 174.700 -0.024 0.000 1.004 362 T CA -0.457 61.627 62.100 -0.026 0.000 0.956 362 T CB -0.398 68.458 68.868 -0.020 0.000 1.182 362 T HN 0.338 nan 8.240 nan 0.000 0.497 363 V N 4.150 124.047 119.914 -0.029 0.000 2.348 363 V HA 0.424 4.543 4.120 -0.000 0.000 0.270 363 V C 0.342 176.414 176.094 -0.036 0.000 1.037 363 V CA -0.963 61.318 62.300 -0.031 0.000 0.872 363 V CB 0.579 32.382 31.823 -0.033 0.000 1.002 363 V HN 0.507 nan 8.190 nan 0.000 0.464 364 K N 3.110 123.491 120.400 -0.032 0.000 2.098 364 K HA 0.529 4.848 4.320 -0.000 0.000 0.261 364 K C -0.159 176.396 176.600 -0.076 0.000 0.987 364 K CA -0.602 55.667 56.287 -0.030 0.000 0.916 364 K CB 1.315 33.818 32.500 0.004 0.000 1.039 364 K HN 0.546 nan 8.250 nan 0.000 0.455 365 C N 2.378 121.609 119.300 -0.115 0.000 2.648 365 C HA 0.060 4.520 4.460 -0.000 0.000 0.419 365 C C -0.008 174.735 174.990 -0.411 0.000 1.352 365 C CA -0.014 58.824 59.018 -0.301 0.000 1.816 365 C CB -0.859 26.631 27.740 -0.417 0.000 2.598 365 C HN 0.825 nan 8.230 nan 0.000 0.598 366 D N 3.985 124.159 120.400 -0.376 0.000 2.443 366 D HA 0.230 4.869 4.640 -0.000 0.000 0.221 366 D C -0.125 176.002 176.300 -0.289 0.000 1.097 366 D CA -0.174 53.682 54.000 -0.240 0.000 0.865 366 D CB 0.238 40.963 40.800 -0.125 0.000 1.034 366 D HN 0.696 nan 8.370 nan 0.000 0.511 367 Y N 1.430 121.726 120.300 -0.006 0.000 2.471 367 Y HA 0.120 4.670 4.550 -0.000 0.000 0.286 367 Y C 0.888 176.781 175.900 -0.012 0.000 1.188 367 Y CA -0.155 57.940 58.100 -0.007 0.000 1.286 367 Y CB 0.261 38.719 38.460 -0.002 0.000 1.072 367 Y HN 0.185 nan 8.280 nan 0.000 0.517 368 E N 0.812 121.059 120.200 0.079 0.000 2.283 368 E HA 0.083 4.433 4.350 -0.000 0.000 0.278 368 E C -0.257 176.353 176.600 0.017 0.000 1.027 368 E CA -0.450 55.981 56.400 0.051 0.000 0.843 368 E CB 0.501 30.224 29.700 0.039 0.000 1.062 368 E HN 0.330 nan 8.360 nan 0.000 0.401 369 N N -0.074 118.635 118.700 0.014 0.000 2.688 369 N HA -0.180 4.559 4.740 -0.000 0.000 0.258 369 N C -0.959 174.532 175.510 -0.030 0.000 1.016 369 N CA 0.219 53.263 53.050 -0.010 0.000 0.747 369 N CB -1.130 37.348 38.487 -0.014 0.000 0.895 369 N HN 0.164 nan 8.380 nan 0.000 0.543 370 V N 1.069 120.970 119.914 -0.021 0.000 2.488 370 V HA 0.324 4.444 4.120 -0.000 0.000 0.277 370 V C -1.003 175.059 176.094 -0.054 0.000 1.046 370 V CA -1.157 61.125 62.300 -0.029 0.000 0.986 370 V CB 0.816 32.642 31.823 0.006 0.000 0.989 370 V HN 0.254 nan 8.190 nan 0.000 0.475 371 P HA 0.313 nan 4.420 nan 0.000 0.274 371 P C -0.425 176.827 177.300 -0.080 0.000 1.237 371 P CA -0.047 63.000 63.100 -0.088 0.000 0.793 371 P CB 1.453 33.098 31.700 -0.092 0.000 0.977 372 T N -0.684 113.802 114.554 -0.112 0.000 2.853 372 T HA 0.492 4.842 4.350 -0.000 0.000 0.311 372 T C -1.575 173.007 174.700 -0.197 0.000 1.307 372 T CA -0.251 61.780 62.100 -0.116 0.000 1.019 372 T CB 1.159 69.973 68.868 -0.091 0.000 1.264 372 T HN 0.367 nan 8.240 nan 0.000 0.497 373 T N 2.269 116.666 114.554 -0.261 0.000 3.011 373 T HA 0.466 4.816 4.350 -0.000 0.000 0.303 373 T C -0.939 173.359 174.700 -0.671 0.000 0.997 373 T CA -0.390 61.401 62.100 -0.515 0.000 1.007 373 T CB 1.157 69.596 68.868 -0.716 0.000 1.017 373 T HN 0.499 nan 8.240 nan 0.000 0.443 374 V N 4.888 124.532 119.914 -0.449 0.000 2.368 374 V HA 0.294 4.413 4.120 -0.000 0.000 0.266 374 V C 0.102 176.005 176.094 -0.319 0.000 1.045 374 V CA -0.456 61.675 62.300 -0.281 0.000 0.899 374 V CB -0.113 31.664 31.823 -0.076 0.000 1.006 374 V HN 0.882 nan 8.190 nan 0.000 0.470 375 F N 3.418 123.334 119.950 -0.057 0.000 2.730 375 F HA 0.088 4.615 4.527 -0.001 0.000 0.333 375 F C 1.727 177.316 175.800 -0.353 0.000 1.215 375 F CA -0.355 57.525 58.000 -0.201 0.000 1.388 375 F CB -0.997 37.853 39.000 -0.250 0.000 1.418 375 F HN 0.570 nan 8.300 nan 0.000 0.576 376 T N -2.316 112.220 114.554 -0.030 0.000 2.667 376 T HA 0.052 4.402 4.350 -0.000 0.000 0.305 376 T C -1.359 173.373 174.700 0.054 0.000 1.022 376 T CA -1.373 60.740 62.100 0.020 0.000 0.995 376 T CB 0.378 69.280 68.868 0.055 0.000 1.026 376 T HN -0.044 nan 8.240 nan 0.000 0.527 377 P HA 0.002 nan 4.420 nan 0.000 0.216 377 P C 0.171 177.525 177.300 0.091 0.000 1.150 377 P CA 0.713 63.933 63.100 0.200 0.000 0.843 377 P CB 0.023 31.842 31.700 0.199 0.000 0.787 378 L N 0.059 121.217 121.223 -0.108 0.000 2.295 378 L HA 0.241 4.581 4.340 -0.000 0.000 0.281 378 L C 0.020 176.908 176.870 0.030 0.000 1.018 378 L CA -0.802 53.950 54.840 -0.145 0.000 0.841 378 L CB 0.397 42.123 42.059 -0.555 0.000 1.218 378 L HN -0.136 nan 8.230 nan 0.000 0.424 379 E N 3.089 123.375 120.200 0.143 0.000 2.438 379 E HA 0.019 4.369 4.350 -0.000 0.000 0.261 379 E C -1.389 175.303 176.600 0.154 0.000 1.103 379 E CA 0.453 56.920 56.400 0.111 0.000 0.959 379 E CB 0.530 30.317 29.700 0.145 0.000 0.958 379 E HN 0.467 nan 8.360 nan 0.000 0.447 380 Y N 0.022 120.282 120.300 -0.067 0.000 2.332 380 Y HA 0.476 5.026 4.550 -0.001 0.000 0.325 380 Y C -0.540 175.345 175.900 -0.024 0.000 1.054 380 Y CA -0.780 57.324 58.100 0.005 0.000 1.119 380 Y CB 1.282 39.755 38.460 0.022 0.000 1.168 380 Y HN 0.498 nan 8.280 nan 0.000 0.439 381 G N 2.864 111.549 108.800 -0.190 0.000 2.441 381 G HA2 0.862 4.822 3.960 -0.000 0.000 0.334 381 G HA3 0.862 4.822 3.960 -0.000 0.000 0.334 381 G C -1.598 173.044 174.900 -0.430 0.000 1.161 381 G CA -0.412 44.516 45.100 -0.287 0.000 0.935 381 G HN 1.217 nan 8.290 nan 0.000 0.488 382 A N -0.907 121.715 122.820 -0.330 0.000 2.608 382 A HA 0.703 5.023 4.320 -0.000 0.000 0.292 382 A C -1.310 176.161 177.584 -0.190 0.000 1.066 382 A CA -0.435 51.419 52.037 -0.306 0.000 0.676 382 A CB 1.426 20.133 19.000 -0.488 0.000 1.277 382 A HN 1.778 nan 8.150 nan 0.000 0.413 383 C N 0.341 119.529 119.300 -0.186 0.000 3.090 383 C HA 0.807 5.267 4.460 -0.000 0.000 0.347 383 C C 0.697 175.623 174.990 -0.106 0.000 1.147 383 C CA 1.356 60.298 59.018 -0.127 0.000 1.305 383 C CB 0.802 28.470 27.740 -0.121 0.000 1.692 383 C HN 3.039 nan 8.230 nan 0.000 0.506 384 G N 3.807 112.573 108.800 -0.057 0.000 2.584 384 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.229 384 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.229 384 G C -0.672 174.256 174.900 0.047 0.000 1.320 384 G CA -0.209 44.895 45.100 0.007 0.000 0.891 384 G HN 1.141 nan 8.290 nan 0.000 0.573 385 L N 1.145 122.441 121.223 0.122 0.000 2.439 385 L HA 0.440 4.780 4.340 -0.000 0.000 0.269 385 L C 1.652 178.709 176.870 0.310 0.000 1.179 385 L CA 0.090 55.035 54.840 0.176 0.000 0.828 385 L CB 0.842 43.018 42.059 0.196 0.000 1.106 385 L HN 0.988 nan 8.230 nan 0.000 0.467 386 S N 0.382 116.244 115.700 0.270 0.000 2.641 386 S HA 0.068 4.538 4.470 -0.000 0.000 0.261 386 S C 0.825 175.524 174.600 0.164 0.000 1.257 386 S CA -0.522 57.848 58.200 0.283 0.000 0.983 386 S CB 1.427 64.736 63.200 0.182 0.000 0.990 386 S HN 0.740 nan 8.310 nan 0.000 0.572 387 E N 0.521 120.740 120.200 0.031 0.000 2.047 387 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 387 E C 1.614 178.246 176.600 0.053 0.000 0.987 387 E CA 1.384 57.803 56.400 0.033 0.000 0.799 387 E CB -0.237 29.444 29.700 -0.032 0.000 0.752 387 E HN 0.751 nan 8.360 nan 0.000 0.449 388 E N 0.924 121.148 120.200 0.040 0.000 2.021 388 E HA -0.212 4.137 4.350 -0.000 0.000 0.200 388 E C 2.047 178.680 176.600 0.054 0.000 1.015 388 E CA 1.446 57.870 56.400 0.040 0.000 0.824 388 E CB -0.077 29.645 29.700 0.037 0.000 0.762 388 E HN 0.059 nan 8.360 nan 0.000 0.454 389 K N 0.317 120.757 120.400 0.066 0.000 2.152 389 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 389 K C 2.060 178.708 176.600 0.079 0.000 1.048 389 K CA 1.263 57.586 56.287 0.060 0.000 0.933 389 K CB -0.522 32.017 32.500 0.064 0.000 0.721 389 K HN 0.198 nan 8.250 nan 0.000 0.447 390 A N 1.031 123.932 122.820 0.134 0.000 1.873 390 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 390 A C 2.540 180.254 177.584 0.217 0.000 1.186 390 A CA 1.529 53.702 52.037 0.227 0.000 0.616 390 A CB -0.675 18.463 19.000 0.231 0.000 0.823 390 A HN 0.049 nan 8.150 nan 0.000 0.442 391 V N 0.107 120.100 119.914 0.132 0.000 2.287 391 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 391 V C 2.537 178.675 176.094 0.073 0.000 1.053 391 V CA 2.503 64.864 62.300 0.101 0.000 1.027 391 V CB -0.813 31.044 31.823 0.057 0.000 0.646 391 V HN 0.773 nan 8.190 nan 0.000 0.447 392 E N 0.339 120.562 120.200 0.040 0.000 2.038 392 E HA -0.308 4.042 4.350 -0.000 0.000 0.195 392 E C 2.330 178.905 176.600 -0.041 0.000 1.000 392 E CA 1.904 58.306 56.400 0.003 0.000 0.803 392 E CB -0.183 29.514 29.700 -0.005 0.000 0.750 392 E HN 0.562 nan 8.360 nan 0.000 0.448 393 K N -0.982 119.360 120.400 -0.097 0.000 2.147 393 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 393 K C 1.058 177.380 176.600 -0.462 0.000 1.049 393 K CA 1.443 57.540 56.287 -0.316 0.000 0.936 393 K CB 0.014 32.236 32.500 -0.462 0.000 0.722 393 K HN 0.166 nan 8.250 nan 0.000 0.446 394 F N -0.465 119.498 119.950 0.022 0.000 2.746 394 F HA 0.321 4.848 4.527 -0.000 0.000 0.320 394 F C 0.279 176.089 175.800 0.017 0.000 1.097 394 F CA 0.054 58.066 58.000 0.021 0.000 1.195 394 F CB 1.721 40.737 39.000 0.026 0.000 1.056 394 F HN 0.106 nan 8.300 nan 0.000 0.562 395 G N 1.686 110.583 108.800 0.162 0.000 3.172 395 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.686 395 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.686 395 G C 0.469 175.424 174.900 0.093 0.000 1.009 395 G CA -0.185 44.977 45.100 0.102 0.000 0.787 395 G HN 0.093 nan 8.290 nan 0.000 0.559 396 E N 1.279 121.514 120.200 0.058 0.000 2.136 396 E HA -0.264 4.086 4.350 -0.000 0.000 0.208 396 E C 2.410 179.029 176.600 0.030 0.000 1.035 396 E CA 2.300 58.723 56.400 0.038 0.000 0.838 396 E CB -0.017 29.696 29.700 0.021 0.000 0.748 396 E HN 0.837 nan 8.360 nan 0.000 0.459 397 E N -0.097 120.122 120.200 0.030 0.000 2.204 397 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 397 E C 1.185 177.799 176.600 0.023 0.000 0.990 397 E CA 0.821 57.234 56.400 0.021 0.000 0.821 397 E CB -0.519 29.194 29.700 0.020 0.000 0.750 397 E HN 0.235 nan 8.360 nan 0.000 0.477 398 N N 0.400 119.126 118.700 0.043 0.000 2.270 398 N HA 0.109 4.849 4.740 -0.000 0.000 0.198 398 N C -0.211 175.306 175.510 0.011 0.000 1.117 398 N CA 0.115 53.184 53.050 0.033 0.000 0.845 398 N CB 0.648 39.173 38.487 0.063 0.000 0.980 398 N HN 0.121 nan 8.380 nan 0.000 0.486 399 I N 0.983 121.567 120.570 0.024 0.000 2.378 399 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 399 I C 0.010 176.123 176.117 -0.007 0.000 0.992 399 I CA -0.769 60.541 61.300 0.017 0.000 1.154 399 I CB 1.703 39.736 38.000 0.056 0.000 1.315 399 I HN -0.166 nan 8.210 nan 0.000 0.448 400 E N 5.007 125.206 120.200 -0.002 0.000 2.199 400 E HA 0.563 4.913 4.350 -0.000 0.000 0.269 400 E C -1.338 175.231 176.600 -0.053 0.000 0.899 400 E CA -0.495 55.868 56.400 -0.060 0.000 0.772 400 E CB 1.879 31.570 29.700 -0.014 0.000 1.155 400 E HN 0.251 nan 8.360 nan 0.000 0.408 401 V N 5.328 125.133 119.914 -0.180 0.000 2.350 401 V HA 0.331 4.451 4.120 -0.000 0.000 0.285 401 V C -1.002 174.942 176.094 -0.250 0.000 1.014 401 V CA -0.787 61.432 62.300 -0.134 0.000 0.831 401 V CB 0.378 32.104 31.823 -0.163 0.000 1.000 401 V HN 0.580 nan 8.190 nan 0.000 0.433 402 Y N 4.894 125.176 120.300 -0.029 0.000 2.341 402 Y HA 0.599 5.148 4.550 -0.001 0.000 0.340 402 Y C 0.706 176.621 175.900 0.023 0.000 0.997 402 Y CA -0.468 57.636 58.100 0.007 0.000 1.149 402 Y CB 0.789 39.263 38.460 0.022 0.000 1.171 402 Y HN 0.832 nan 8.280 nan 0.000 0.494 403 H N -0.666 118.361 119.070 -0.070 0.000 2.946 403 H HA 0.895 5.451 4.556 -0.000 0.000 0.365 403 H C -1.197 173.952 175.328 -0.298 0.000 1.197 403 H CA -1.240 54.648 56.048 -0.267 0.000 1.131 403 H CB 2.353 31.936 29.762 -0.298 0.000 1.849 403 H HN 0.493 nan 8.280 nan 0.000 0.555 404 S N 0.851 116.227 115.700 -0.539 0.000 2.565 404 S HA 0.288 4.758 4.470 -0.000 0.000 0.274 404 S C -1.854 172.520 174.600 -0.377 0.000 1.144 404 S CA -0.706 57.244 58.200 -0.417 0.000 0.849 404 S CB 0.988 64.059 63.200 -0.215 0.000 1.103 404 S HN 0.607 nan 8.310 nan 0.000 0.455 405 Y N 1.731 122.001 120.300 -0.049 0.000 2.408 405 Y HA 0.752 5.301 4.550 -0.000 0.000 0.324 405 Y C 0.149 176.179 175.900 0.217 0.000 1.302 405 Y CA -0.313 57.829 58.100 0.070 0.000 1.384 405 Y CB 1.247 39.733 38.460 0.044 0.000 1.367 405 Y HN 0.730 nan 8.280 nan 0.000 0.525 406 F N -1.563 118.531 119.950 0.241 0.000 2.725 406 F HA 0.437 4.964 4.527 -0.001 0.000 0.309 406 F C -2.290 173.639 175.800 0.216 0.000 1.132 406 F CA -1.584 56.504 58.000 0.147 0.000 0.957 406 F CB 0.903 39.918 39.000 0.025 0.000 1.286 406 F HN 0.384 nan 8.300 nan 0.000 0.440 407 W N 4.770 126.195 121.300 0.209 0.000 2.499 407 W HA 0.704 5.364 4.660 -0.001 0.000 0.320 407 W C -2.973 173.537 176.519 -0.015 0.000 1.010 407 W CA -3.286 54.077 57.345 0.030 0.000 1.267 407 W CB 1.581 31.088 29.460 0.079 0.000 1.316 407 W HN 0.395 nan 8.180 nan 0.000 0.431 408 P HA -0.100 nan 4.420 nan 0.000 0.261 408 P C 1.084 178.101 177.300 -0.472 0.000 1.183 408 P CA 0.057 62.876 63.100 -0.469 0.000 0.761 408 P CB 0.645 31.686 31.700 -1.099 0.000 0.785 409 L N 4.789 125.842 121.223 -0.283 0.000 2.051 409 L HA -0.268 4.072 4.340 -0.000 0.000 0.214 409 L C 1.731 178.490 176.870 -0.185 0.000 1.076 409 L CA 2.092 56.779 54.840 -0.255 0.000 0.758 409 L CB -0.985 40.983 42.059 -0.151 0.000 0.890 409 L HN 0.293 nan 8.230 nan 0.000 0.433 410 E N -1.013 119.133 120.200 -0.090 0.000 2.219 410 E HA -0.243 4.107 4.350 -0.000 0.000 0.198 410 E C 1.633 178.443 176.600 0.351 0.000 0.998 410 E CA 1.640 58.127 56.400 0.145 0.000 0.818 410 E CB -0.381 29.411 29.700 0.154 0.000 0.741 410 E HN 0.638 nan 8.360 nan 0.000 0.477 411 W N 0.224 121.493 121.300 -0.052 0.000 3.256 411 W HA 0.152 4.811 4.660 -0.001 0.000 0.269 411 W C 1.804 178.250 176.519 -0.122 0.000 1.310 411 W CA 0.934 58.286 57.345 0.012 0.000 1.673 411 W CB -1.134 28.437 29.460 0.184 0.000 1.115 411 W HN 0.145 nan 8.180 nan 0.000 0.686 412 T N -2.366 112.038 114.554 -0.249 0.000 2.770 412 T HA -0.119 4.231 4.350 -0.000 0.000 0.263 412 T C 1.828 176.477 174.700 -0.085 0.000 1.039 412 T CA 0.933 62.802 62.100 -0.384 0.000 1.142 412 T CB -0.470 68.030 68.868 -0.613 0.000 0.868 412 T HN -0.083 nan 8.240 nan 0.000 0.435 413 I N 2.754 123.236 120.570 -0.146 0.000 2.163 413 I HA -0.054 4.116 4.170 -0.000 0.000 0.243 413 I C -0.306 175.756 176.117 -0.091 0.000 1.085 413 I CA 1.383 62.534 61.300 -0.249 0.000 1.347 413 I CB -1.946 35.599 38.000 -0.757 0.000 1.044 413 I HN 0.291 nan 8.210 nan 0.000 0.408 414 P HA -0.071 nan 4.420 nan 0.000 0.242 414 P C 0.464 177.853 177.300 0.148 0.000 1.197 414 P CA 0.557 63.731 63.100 0.123 0.000 0.765 414 P CB -0.095 31.728 31.700 0.206 0.000 0.936 415 S N 0.417 116.238 115.700 0.202 0.000 3.436 415 S HA -0.175 4.295 4.470 -0.000 0.000 0.393 415 S C 0.166 174.946 174.600 0.299 0.000 0.914 415 S CA 0.563 58.943 58.200 0.301 0.000 1.317 415 S CB -1.421 61.888 63.200 0.182 0.000 0.920 415 S HN 0.677 nan 8.310 nan 0.000 0.564 416 R N 0.975 121.737 120.500 0.437 0.000 2.710 416 R HA 0.578 4.918 4.340 -0.000 0.000 0.270 416 R C -0.826 175.697 176.300 0.371 0.000 1.021 416 R CA -0.323 55.939 56.100 0.270 0.000 0.889 416 R CB 0.437 30.800 30.300 0.104 0.000 1.243 416 R HN 0.131 nan 8.270 nan 0.000 0.464 417 D N 0.505 120.993 120.400 0.146 0.000 2.686 417 D HA -0.205 4.435 4.640 -0.000 0.000 0.235 417 D C -0.710 175.635 176.300 0.074 0.000 1.160 417 D CA 1.178 55.271 54.000 0.155 0.000 0.645 417 D CB -0.807 40.058 40.800 0.109 0.000 1.039 417 D HN 0.616 nan 8.370 nan 0.000 0.423 418 N N 1.573 119.997 118.700 -0.460 0.000 2.479 418 N HA -0.035 4.705 4.740 -0.000 0.000 0.257 418 N C 0.422 175.614 175.510 -0.530 0.000 1.232 418 N CA 0.178 52.530 53.050 -1.163 0.000 0.920 418 N CB 0.343 37.968 38.487 -1.438 0.000 1.105 418 N HN 0.086 nan 8.380 nan 0.000 0.444 419 N N 1.065 119.501 118.700 -0.441 0.000 2.714 419 N HA -0.199 4.541 4.740 -0.000 0.000 0.252 419 N C -0.305 174.957 175.510 -0.413 0.000 1.014 419 N CA 0.459 53.248 53.050 -0.436 0.000 0.735 419 N CB -0.311 37.792 38.487 -0.639 0.000 0.924 419 N HN 0.638 nan 8.380 nan 0.000 0.540 420 K N -0.552 119.793 120.400 -0.092 0.000 2.306 420 K HA 0.180 4.500 4.320 -0.000 0.000 0.200 420 K C 0.878 177.536 176.600 0.096 0.000 1.083 420 K CA 0.329 56.647 56.287 0.052 0.000 0.959 420 K CB -0.025 32.611 32.500 0.227 0.000 0.994 420 K HN 0.310 nan 8.250 nan 0.000 0.492 421 C N 2.154 121.408 119.300 -0.077 0.000 2.657 421 C HA 0.204 4.664 4.460 -0.000 0.000 0.420 421 C C 0.389 175.232 174.990 -0.245 0.000 1.323 421 C CA -0.394 58.344 59.018 -0.467 0.000 1.894 421 C CB -1.315 25.549 27.740 -1.459 0.000 2.681 421 C HN 0.393 nan 8.230 nan 0.000 0.613 422 Y N 0.691 120.873 120.300 -0.197 0.000 2.534 422 Y HA 0.627 5.177 4.550 -0.001 0.000 0.345 422 Y C -0.448 175.540 175.900 0.146 0.000 1.031 422 Y CA -0.452 57.651 58.100 0.006 0.000 1.022 422 Y CB 1.156 39.597 38.460 -0.031 0.000 1.292 422 Y HN 0.865 nan 8.280 nan 0.000 0.459 423 A N 5.837 128.376 122.820 -0.468 0.000 2.414 423 A HA 0.802 5.122 4.320 -0.000 0.000 0.306 423 A C -1.704 175.499 177.584 -0.635 0.000 1.054 423 A CA -0.821 50.937 52.037 -0.465 0.000 0.724 423 A CB 1.832 20.330 19.000 -0.837 0.000 1.267 423 A HN 0.617 nan 8.150 nan 0.000 0.418 424 K N 2.432 122.714 120.400 -0.197 0.000 2.561 424 K HA 0.526 4.845 4.320 -0.000 0.000 0.254 424 K C -1.860 174.841 176.600 0.169 0.000 0.942 424 K CA -0.440 55.826 56.287 -0.036 0.000 0.818 424 K CB 1.435 33.957 32.500 0.035 0.000 1.306 424 K HN 0.986 nan 8.250 nan 0.000 0.435 425 I N 1.231 121.923 120.570 0.203 0.000 2.603 425 I HA 0.572 4.742 4.170 -0.000 0.000 0.300 425 I C -1.047 175.209 176.117 0.232 0.000 1.017 425 I CA -1.243 60.194 61.300 0.230 0.000 1.098 425 I CB 1.656 39.794 38.000 0.229 0.000 1.279 425 I HN 0.416 nan 8.210 nan 0.000 0.437 426 I N 4.841 125.543 120.570 0.220 0.000 2.378 426 I HA 0.446 4.616 4.170 -0.000 0.000 0.291 426 I C -0.566 175.635 176.117 0.139 0.000 0.992 426 I CA -0.061 61.343 61.300 0.173 0.000 1.154 426 I CB 1.608 39.713 38.000 0.175 0.000 1.315 426 I HN 0.654 nan 8.210 nan 0.000 0.448 427 C N 4.000 123.375 119.300 0.126 0.000 2.561 427 C HA 0.479 4.939 4.460 -0.000 0.000 0.319 427 C C 0.145 175.116 174.990 -0.031 0.000 1.198 427 C CA -0.766 58.292 59.018 0.067 0.000 1.665 427 C CB 1.449 29.277 27.740 0.147 0.000 2.258 427 C HN 0.735 nan 8.230 nan 0.000 0.493 428 N N 0.805 119.419 118.700 -0.144 0.000 2.500 428 N HA 0.149 4.889 4.740 -0.000 0.000 0.236 428 N C 1.161 176.577 175.510 -0.156 0.000 1.022 428 N CA 0.077 52.953 53.050 -0.290 0.000 0.935 428 N CB 1.163 39.266 38.487 -0.639 0.000 1.147 428 N HN 0.855 nan 8.380 nan 0.000 0.512 429 T N 1.054 115.559 114.554 -0.082 0.000 2.881 429 T HA -0.081 4.269 4.350 -0.000 0.000 0.270 429 T C 1.266 175.942 174.700 -0.040 0.000 1.068 429 T CA 1.005 63.086 62.100 -0.032 0.000 1.131 429 T CB -0.037 68.829 68.868 -0.004 0.000 0.871 429 T HN 0.211 nan 8.240 nan 0.000 0.479 430 K N 1.274 121.637 120.400 -0.062 0.000 2.432 430 K HA 0.088 4.408 4.320 -0.000 0.000 0.196 430 K C 0.625 177.198 176.600 -0.044 0.000 1.038 430 K CA 0.545 56.813 56.287 -0.032 0.000 0.986 430 K CB -0.162 32.340 32.500 0.003 0.000 0.782 430 K HN 0.512 nan 8.250 nan 0.000 0.485 431 D N 0.380 120.727 120.400 -0.088 0.000 2.749 431 D HA 0.115 4.754 4.640 -0.000 0.000 0.338 431 D C -0.957 175.310 176.300 -0.055 0.000 1.236 431 D CA -0.373 53.585 54.000 -0.069 0.000 0.845 431 D CB -0.806 39.933 40.800 -0.101 0.000 1.080 431 D HN -0.013 nan 8.370 nan 0.000 0.497 432 N N 2.046 120.726 118.700 -0.033 0.000 2.716 432 N HA -0.253 4.487 4.740 -0.000 0.000 0.250 432 N C -0.663 174.832 175.510 -0.025 0.000 1.033 432 N CA 0.917 53.954 53.050 -0.022 0.000 0.727 432 N CB -0.723 37.752 38.487 -0.019 0.000 0.950 432 N HN 0.504 nan 8.380 nan 0.000 0.541 433 E N -1.227 118.956 120.200 -0.028 0.000 2.228 433 E HA -0.333 4.016 4.350 -0.000 0.000 0.213 433 E C 0.186 176.768 176.600 -0.030 0.000 1.282 433 E CA 0.478 56.869 56.400 -0.016 0.000 0.707 433 E CB -0.443 29.270 29.700 0.021 0.000 1.150 433 E HN 0.431 nan 8.360 nan 0.000 0.362 434 R N -0.193 120.271 120.500 -0.060 0.000 2.679 434 R HA 0.148 4.488 4.340 -0.000 0.000 0.268 434 R C -0.246 176.038 176.300 -0.026 0.000 1.044 434 R CA -0.093 55.979 56.100 -0.048 0.000 1.105 434 R CB 0.756 31.017 30.300 -0.066 0.000 0.989 434 R HN 0.009 nan 8.270 nan 0.000 0.447 435 V N 6.591 126.508 119.914 0.006 0.000 2.339 435 V HA 0.013 4.132 4.120 -0.000 0.000 0.261 435 V C 1.069 177.194 176.094 0.053 0.000 1.058 435 V CA -0.051 62.279 62.300 0.049 0.000 0.897 435 V CB 0.921 32.790 31.823 0.076 0.000 1.052 435 V HN 0.797 nan 8.190 nan 0.000 0.480 436 V N 2.125 122.075 119.914 0.059 0.000 3.354 436 V HA 0.512 4.632 4.120 -0.000 0.000 0.258 436 V C 0.867 177.038 176.094 0.128 0.000 1.159 436 V CA 0.890 63.243 62.300 0.088 0.000 1.125 436 V CB -0.082 31.797 31.823 0.094 0.000 0.774 436 V HN 0.720 nan 8.190 nan 0.000 0.464 437 G N -0.371 108.522 108.800 0.156 0.000 2.731 437 G HA2 0.586 4.545 3.960 -0.000 0.000 0.298 437 G HA3 0.586 4.545 3.960 -0.000 0.000 0.298 437 G C -1.955 173.062 174.900 0.194 0.000 1.424 437 G CA -0.534 44.675 45.100 0.181 0.000 1.029 437 G HN 0.169 nan 8.290 nan 0.000 0.518 438 F N 3.270 123.099 119.950 -0.202 0.000 2.507 438 F HA 0.602 5.128 4.527 -0.001 0.000 0.328 438 F C -0.651 174.908 175.800 -0.402 0.000 1.136 438 F CA -0.691 57.170 58.000 -0.232 0.000 0.930 438 F CB 1.488 40.293 39.000 -0.325 0.000 1.166 438 F HN 0.463 nan 8.300 nan 0.000 0.436 439 H N 5.485 124.415 119.070 -0.233 0.000 2.689 439 H HA 0.628 5.183 4.556 -0.001 0.000 0.346 439 H C -1.395 173.980 175.328 0.079 0.000 1.037 439 H CA -0.884 55.206 56.048 0.071 0.000 1.234 439 H CB 2.309 32.272 29.762 0.335 0.000 1.572 439 H HN 0.514 nan 8.280 nan 0.000 0.524 440 V N 5.221 125.317 119.914 0.304 0.000 2.623 440 V HA 0.298 4.418 4.120 -0.000 0.000 0.304 440 V C -1.485 174.890 176.094 0.468 0.000 1.054 440 V CA -0.787 61.727 62.300 0.356 0.000 0.882 440 V CB 2.137 34.158 31.823 0.329 0.000 1.002 440 V HN 0.510 nan 8.190 nan 0.000 0.424 441 L N 7.587 129.064 121.223 0.422 0.000 2.295 441 L HA 1.048 5.388 4.340 -0.000 0.000 0.281 441 L C 0.030 177.022 176.870 0.204 0.000 1.018 441 L CA 1.079 56.105 54.840 0.310 0.000 0.841 441 L CB 0.762 42.945 42.059 0.206 0.000 1.218 441 L HN 1.013 nan 8.230 nan 0.000 0.424 442 G N 4.010 112.945 108.800 0.225 0.000 2.342 442 G HA2 0.374 4.334 3.960 -0.000 0.000 0.297 442 G HA3 0.374 4.334 3.960 -0.000 0.000 0.297 442 G C -3.406 171.644 174.900 0.250 0.000 1.313 442 G CA -0.791 44.428 45.100 0.198 0.000 0.830 442 G HN 0.372 nan 8.290 nan 0.000 0.506 443 P HA 0.198 nan 4.420 nan 0.000 0.272 443 P C -0.008 177.429 177.300 0.229 0.000 1.230 443 P CA -0.129 63.133 63.100 0.269 0.000 0.788 443 P CB 0.292 32.147 31.700 0.258 0.000 0.949 444 N N -0.125 118.711 118.700 0.227 0.000 2.710 444 N HA -0.267 4.472 4.740 -0.000 0.000 0.249 444 N C 0.986 176.613 175.510 0.195 0.000 1.059 444 N CA 0.913 54.086 53.050 0.205 0.000 0.720 444 N CB -1.237 37.344 38.487 0.158 0.000 0.983 444 N HN 0.548 nan 8.380 nan 0.000 0.544 445 A N -0.017 122.917 122.820 0.190 0.000 1.978 445 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 445 A C 2.279 179.921 177.584 0.097 0.000 1.170 445 A CA 2.139 54.268 52.037 0.154 0.000 0.636 445 A CB -0.663 18.407 19.000 0.117 0.000 0.810 445 A HN 0.535 nan 8.150 nan 0.000 0.448 446 G N -0.428 108.424 108.800 0.086 0.000 2.404 446 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.215 446 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.215 446 G C 1.351 176.317 174.900 0.109 0.000 1.174 446 G CA 0.814 45.965 45.100 0.085 0.000 0.780 446 G HN 0.544 nan 8.290 nan 0.000 0.537 447 E N 0.495 120.776 120.200 0.135 0.000 2.110 447 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 447 E C 2.729 179.398 176.600 0.115 0.000 0.988 447 E CA 0.851 57.316 56.400 0.108 0.000 0.804 447 E CB -0.365 29.399 29.700 0.108 0.000 0.745 447 E HN 0.355 nan 8.360 nan 0.000 0.458 448 V N 1.213 121.222 119.914 0.158 0.000 2.719 448 V HA -0.136 3.984 4.120 -0.000 0.000 0.252 448 V C 2.184 178.418 176.094 0.234 0.000 1.065 448 V CA 1.768 64.203 62.300 0.225 0.000 1.086 448 V CB -0.413 31.575 31.823 0.274 0.000 0.700 448 V HN 0.260 nan 8.190 nan 0.000 0.467 449 T N -1.081 113.559 114.554 0.143 0.000 2.937 449 T HA -0.142 4.208 4.350 -0.000 0.000 0.260 449 T C 1.853 176.511 174.700 -0.070 0.000 1.051 449 T CA 1.142 63.262 62.100 0.032 0.000 1.141 449 T CB -0.113 68.776 68.868 0.034 0.000 0.879 449 T HN 0.371 nan 8.240 nan 0.000 0.459 450 Q N 1.562 121.347 119.800 -0.024 0.000 2.103 450 Q HA -0.157 4.183 4.340 -0.000 0.000 0.213 450 Q C 2.302 178.237 176.000 -0.108 0.000 1.008 450 Q CA 2.501 58.271 55.803 -0.055 0.000 0.879 450 Q CB -1.057 27.667 28.738 -0.023 0.000 0.946 450 Q HN 0.521 nan 8.270 nan 0.000 0.413 451 G N -1.575 107.153 108.800 -0.119 0.000 2.394 451 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.215 451 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.215 451 G C 1.086 175.774 174.900 -0.353 0.000 1.165 451 G CA 0.590 45.555 45.100 -0.225 0.000 0.784 451 G HN 0.411 nan 8.290 nan 0.000 0.535 452 F N 1.835 121.511 119.950 -0.458 0.000 2.269 452 F HA 0.042 4.568 4.527 -0.001 0.000 0.301 452 F C 2.955 178.444 175.800 -0.517 0.000 1.082 452 F CA 0.738 58.344 58.000 -0.656 0.000 1.360 452 F CB -0.055 38.059 39.000 -1.476 0.000 1.041 452 F HN 0.240 nan 8.300 nan 0.000 0.512 453 A N 0.224 122.879 122.820 -0.275 0.000 1.858 453 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 453 A C 2.439 179.926 177.584 -0.161 0.000 1.190 453 A CA 1.734 53.650 52.037 -0.201 0.000 0.617 453 A CB -1.355 17.553 19.000 -0.154 0.000 0.827 453 A HN 0.292 nan 8.150 nan 0.000 0.443 454 A N -0.334 122.389 122.820 -0.162 0.000 2.032 454 A HA 0.107 4.427 4.320 -0.000 0.000 0.221 454 A C 2.399 179.895 177.584 -0.147 0.000 1.165 454 A CA 2.150 54.103 52.037 -0.140 0.000 0.645 454 A CB -0.836 18.080 19.000 -0.141 0.000 0.807 454 A HN 1.053 nan 8.150 nan 0.000 0.453 455 A N -0.206 122.500 122.820 -0.190 0.000 1.897 455 A HA 0.044 4.364 4.320 -0.000 0.000 0.215 455 A C 2.072 179.591 177.584 -0.108 0.000 1.181 455 A CA 1.273 53.209 52.037 -0.169 0.000 0.620 455 A CB -0.515 18.349 19.000 -0.226 0.000 0.821 455 A HN 0.459 nan 8.150 nan 0.000 0.443 456 L N -0.699 120.463 121.223 -0.102 0.000 2.191 456 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 456 L C 2.198 179.037 176.870 -0.051 0.000 1.103 456 L CA 1.036 55.840 54.840 -0.061 0.000 0.769 456 L CB -0.504 41.521 42.059 -0.056 0.000 0.908 456 L HN 0.265 nan 8.230 nan 0.000 0.438 457 K N -0.396 119.964 120.400 -0.066 0.000 2.442 457 K HA -0.052 4.268 4.320 -0.000 0.000 0.198 457 K C 1.627 178.197 176.600 -0.050 0.000 1.042 457 K CA 0.722 56.976 56.287 -0.055 0.000 0.958 457 K CB -0.173 32.288 32.500 -0.065 0.000 0.766 457 K HN 0.374 nan 8.250 nan 0.000 0.474 458 C N -0.029 119.236 119.300 -0.058 0.000 2.906 458 C HA 0.246 4.706 4.460 -0.000 0.000 0.274 458 C C 1.198 176.164 174.990 -0.041 0.000 1.257 458 C CA 0.088 59.075 59.018 -0.052 0.000 1.695 458 C CB -0.581 27.119 27.740 -0.066 0.000 1.958 458 C HN 0.657 nan 8.230 nan 0.000 0.619 459 G N 1.425 110.205 108.800 -0.033 0.000 2.160 459 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 459 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 459 G C 0.032 174.917 174.900 -0.026 0.000 1.022 459 G CA 0.267 45.353 45.100 -0.023 0.000 0.741 459 G HN 0.574 nan 8.290 nan 0.000 0.508 460 L N 1.381 122.586 121.223 -0.030 0.000 2.653 460 L HA 0.451 4.791 4.340 -0.000 0.000 0.288 460 L C 0.572 177.434 176.870 -0.013 0.000 1.243 460 L CA 1.351 56.176 54.840 -0.025 0.000 0.906 460 L CB 0.382 42.430 42.059 -0.019 0.000 1.154 460 L HN 0.225 nan 8.230 nan 0.000 0.498 461 T N 4.292 118.836 114.554 -0.017 0.000 2.918 461 T HA 0.244 4.594 4.350 -0.000 0.000 0.286 461 T C 0.760 175.443 174.700 -0.028 0.000 1.026 461 T CA -0.481 61.606 62.100 -0.021 0.000 1.031 461 T CB 1.825 70.678 68.868 -0.025 0.000 1.046 461 T HN 0.648 nan 8.240 nan 0.000 0.479 462 K N 1.890 122.261 120.400 -0.050 0.000 2.152 462 K HA -0.041 4.279 4.320 -0.000 0.000 0.206 462 K C 1.879 178.426 176.600 -0.087 0.000 1.048 462 K CA 1.677 57.900 56.287 -0.106 0.000 0.933 462 K CB -0.070 32.302 32.500 -0.213 0.000 0.721 462 K HN 0.432 nan 8.250 nan 0.000 0.447 463 K N 0.070 120.436 120.400 -0.057 0.000 2.002 463 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 463 K C 2.260 178.840 176.600 -0.032 0.000 1.048 463 K CA 1.888 58.151 56.287 -0.041 0.000 0.930 463 K CB -0.069 32.415 32.500 -0.027 0.000 0.714 463 K HN 0.306 nan 8.250 nan 0.000 0.438 464 Q N 0.412 120.195 119.800 -0.028 0.000 2.170 464 Q HA -0.171 4.168 4.340 -0.000 0.000 0.203 464 Q C 2.114 178.103 176.000 -0.018 0.000 0.976 464 Q CA 0.926 56.713 55.803 -0.026 0.000 0.858 464 Q CB -0.099 28.621 28.738 -0.029 0.000 0.907 464 Q HN 0.186 nan 8.270 nan 0.000 0.433 465 L N 1.340 122.559 121.223 -0.007 0.000 2.027 465 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 465 L C 1.439 178.322 176.870 0.021 0.000 1.074 465 L CA 1.919 56.777 54.840 0.031 0.000 0.745 465 L CB -0.397 41.701 42.059 0.065 0.000 0.898 465 L HN 0.047 nan 8.230 nan 0.000 0.433 466 D N -0.917 119.475 120.400 -0.013 0.000 2.263 466 D HA -0.139 4.501 4.640 -0.000 0.000 0.208 466 D C 2.314 178.608 176.300 -0.010 0.000 0.971 466 D CA 1.336 55.326 54.000 -0.017 0.000 0.867 466 D CB -0.054 40.724 40.800 -0.038 0.000 0.929 466 D HN 0.573 nan 8.370 nan 0.000 0.492 467 S N -0.994 114.698 115.700 -0.013 0.000 2.558 467 S HA 0.016 4.486 4.470 -0.000 0.000 0.217 467 S C 0.915 175.507 174.600 -0.014 0.000 0.975 467 S CA -0.133 58.058 58.200 -0.014 0.000 0.912 467 S CB -0.030 63.159 63.200 -0.019 0.000 0.776 467 S HN -0.071 nan 8.310 nan 0.000 0.526 468 T N 3.771 118.320 114.554 -0.009 0.000 2.910 468 T HA 0.456 4.805 4.350 -0.000 0.000 0.293 468 T C -0.070 174.631 174.700 0.001 0.000 1.015 468 T CA -0.439 61.654 62.100 -0.012 0.000 1.094 468 T CB 0.709 69.567 68.868 -0.016 0.000 0.968 468 T HN 0.139 nan 8.240 nan 0.000 0.521 469 I N 2.069 122.637 120.570 -0.005 0.000 2.428 469 I HA 0.384 4.553 4.170 -0.000 0.000 0.296 469 I C 1.224 177.351 176.117 0.016 0.000 0.985 469 I CA -0.494 60.807 61.300 0.002 0.000 1.260 469 I CB 1.109 39.106 38.000 -0.004 0.000 1.389 469 I HN 0.728 nan 8.210 nan 0.000 0.484 470 G N 5.736 114.549 108.800 0.022 0.000 2.572 470 G HA2 0.489 4.448 3.960 -0.000 0.000 0.261 470 G HA3 0.489 4.448 3.960 -0.000 0.000 0.261 470 G C -0.185 174.743 174.900 0.047 0.000 1.197 470 G CA -0.571 44.555 45.100 0.043 0.000 0.870 470 G HN 0.506 nan 8.290 nan 0.000 0.548 471 I N 0.758 121.367 120.570 0.065 0.000 2.315 471 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 471 I C -0.378 175.813 176.117 0.124 0.000 1.006 471 I CA -0.583 60.759 61.300 0.069 0.000 1.265 471 I CB 1.351 39.379 38.000 0.047 0.000 1.387 471 I HN 0.448 nan 8.210 nan 0.000 0.475 472 H N 8.093 127.161 119.070 -0.004 0.000 2.492 472 H HA 0.559 5.115 4.556 -0.001 0.000 0.345 472 H C -2.386 172.938 175.328 -0.007 0.000 1.136 472 H CA -1.827 54.216 56.048 -0.008 0.000 1.202 472 H CB 1.752 31.510 29.762 -0.007 0.000 1.524 472 H HN 0.330 nan 8.280 nan 0.000 0.506 473 P HA 0.362 nan 4.420 nan 0.000 0.300 473 P C -1.506 175.709 177.300 -0.141 0.000 1.375 473 P CA -0.500 62.280 63.100 -0.533 0.000 0.864 473 P CB 1.274 32.520 31.700 -0.757 0.000 0.958 474 V N 2.894 122.800 119.914 -0.013 0.000 2.971 474 V HA 0.074 4.194 4.120 -0.000 0.000 0.309 474 V C 1.346 177.426 176.094 -0.024 0.000 1.130 474 V CA -0.519 61.774 62.300 -0.011 0.000 0.964 474 V CB 1.865 33.698 31.823 0.017 0.000 1.029 474 V HN 0.658 nan 8.190 nan 0.000 0.427 475 C N 2.478 121.750 119.300 -0.047 0.000 2.393 475 C HA -0.172 4.287 4.460 -0.000 0.000 0.276 475 C C 2.841 177.686 174.990 -0.242 0.000 1.215 475 C CA 1.650 60.569 59.018 -0.166 0.000 1.743 475 C CB -1.067 26.656 27.740 -0.029 0.000 2.044 475 C HN 1.072 nan 8.230 nan 0.000 0.464 476 A N 1.305 124.112 122.820 -0.022 0.000 2.104 476 A HA -0.289 4.031 4.320 -0.000 0.000 0.223 476 A C 2.034 179.707 177.584 0.147 0.000 1.164 476 A CA 2.214 54.335 52.037 0.140 0.000 0.659 476 A CB -0.816 18.338 19.000 0.257 0.000 0.808 476 A HN 0.886 nan 8.150 nan 0.000 0.465 477 E N -0.258 119.963 120.200 0.034 0.000 2.204 477 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 477 E C 1.620 178.201 176.600 -0.033 0.000 0.990 477 E CA 1.164 57.592 56.400 0.047 0.000 0.821 477 E CB -0.719 29.005 29.700 0.041 0.000 0.750 477 E HN 0.382 nan 8.360 nan 0.000 0.477 478 V N 0.235 120.013 119.914 -0.228 0.000 2.660 478 V HA -0.242 3.878 4.120 -0.000 0.000 0.257 478 V C 1.422 177.306 176.094 -0.349 0.000 1.088 478 V CA 1.604 63.686 62.300 -0.362 0.000 1.106 478 V CB -0.690 30.718 31.823 -0.691 0.000 0.686 478 V HN 0.306 nan 8.190 nan 0.000 0.481 479 F N 1.103 120.981 119.950 -0.120 0.000 2.615 479 F HA 0.029 4.556 4.527 -0.000 0.000 0.297 479 F C 2.565 178.384 175.800 0.032 0.000 1.124 479 F CA 1.437 59.394 58.000 -0.071 0.000 1.451 479 F CB -0.620 38.316 39.000 -0.107 0.000 1.103 479 F HN 0.403 nan 8.300 nan 0.000 0.569 480 T N -3.874 110.802 114.554 0.203 0.000 3.055 480 T HA -0.074 4.276 4.350 -0.000 0.000 0.265 480 T C 1.406 176.135 174.700 0.048 0.000 1.111 480 T CA 1.357 63.538 62.100 0.135 0.000 1.118 480 T CB -0.649 68.280 68.868 0.101 0.000 0.909 480 T HN 0.223 nan 8.240 nan 0.000 0.501 481 T N -0.033 114.527 114.554 0.010 0.000 3.296 481 T HA 0.451 4.800 4.350 -0.000 0.000 0.285 481 T C 0.232 174.923 174.700 -0.015 0.000 1.014 481 T CA -0.687 61.405 62.100 -0.013 0.000 0.920 481 T CB -0.591 68.261 68.868 -0.026 0.000 1.143 481 T HN 0.320 nan 8.240 nan 0.000 0.522 482 L N 2.933 124.146 121.223 -0.016 0.000 2.530 482 L HA 0.265 4.605 4.340 -0.000 0.000 0.273 482 L C 1.505 178.451 176.870 0.127 0.000 1.141 482 L CA -0.067 54.792 54.840 0.032 0.000 0.905 482 L CB 0.548 42.639 42.059 0.053 0.000 1.202 482 L HN 0.539 nan 8.230 nan 0.000 0.473 483 S N 1.792 117.582 115.700 0.150 0.000 2.554 483 S HA 0.101 4.571 4.470 -0.000 0.000 0.227 483 S C 0.389 175.114 174.600 0.208 0.000 1.050 483 S CA -0.328 57.989 58.200 0.195 0.000 0.927 483 S CB 0.513 63.770 63.200 0.096 0.000 0.859 483 S HN 0.264 nan 8.310 nan 0.000 0.494 484 V N 4.147 124.150 119.914 0.148 0.000 2.432 484 V HA 0.473 4.593 4.120 -0.000 0.000 0.271 484 V C 0.799 176.909 176.094 0.027 0.000 1.046 484 V CA -0.057 62.292 62.300 0.082 0.000 0.945 484 V CB 0.528 32.393 31.823 0.070 0.000 0.992 484 V HN 0.652 nan 8.190 nan 0.000 0.471 485 T N 1.802 116.275 114.554 -0.134 0.000 2.927 485 T HA 0.375 4.725 4.350 -0.000 0.000 0.281 485 T C 0.868 175.459 174.700 -0.182 0.000 0.998 485 T CA -0.621 61.279 62.100 -0.332 0.000 1.019 485 T CB 1.546 70.125 68.868 -0.482 0.000 1.061 485 T HN 0.533 nan 8.240 nan 0.000 0.518 486 K N -0.226 119.981 120.400 -0.322 0.000 2.103 486 K HA 0.008 4.328 4.320 -0.000 0.000 0.204 486 K C 2.556 179.068 176.600 -0.146 0.000 1.052 486 K CA 0.487 56.592 56.287 -0.303 0.000 0.945 486 K CB -0.103 32.142 32.500 -0.426 0.000 0.722 486 K HN 0.609 nan 8.250 nan 0.000 0.443 487 R N 1.006 121.415 120.500 -0.152 0.000 2.083 487 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 487 R C 2.349 178.610 176.300 -0.064 0.000 1.137 487 R CA 2.212 58.254 56.100 -0.097 0.000 0.951 487 R CB -0.337 29.903 30.300 -0.099 0.000 0.851 487 R HN 0.243 nan 8.270 nan 0.000 0.434 488 S N -1.392 114.266 115.700 -0.069 0.000 2.380 488 S HA -0.144 4.326 4.470 -0.000 0.000 0.229 488 S C 1.678 176.270 174.600 -0.013 0.000 1.050 488 S CA 1.798 59.977 58.200 -0.036 0.000 1.100 488 S CB -0.701 62.480 63.200 -0.032 0.000 0.984 488 S HN 0.697 nan 8.310 nan 0.000 0.434 489 G N 0.646 109.448 108.800 0.003 0.000 2.296 489 G HA2 0.151 4.111 3.960 -0.000 0.000 0.188 489 G HA3 0.151 4.111 3.960 -0.000 0.000 0.188 489 G C 0.270 175.191 174.900 0.036 0.000 1.000 489 G CA 0.058 45.169 45.100 0.018 0.000 0.672 489 G HN 1.399 nan 8.290 nan 0.000 0.483 490 A N 0.642 123.484 122.820 0.037 0.000 2.520 490 A HA 0.598 4.917 4.320 -0.000 0.000 0.235 490 A C 1.079 178.694 177.584 0.050 0.000 1.065 490 A CA 1.325 53.385 52.037 0.038 0.000 0.764 490 A CB 0.311 19.331 19.000 0.033 0.000 1.002 490 A HN 1.982 nan 8.150 nan 0.000 0.502 491 S N 0.753 116.474 115.700 0.036 0.000 2.610 491 S HA 0.474 4.944 4.470 -0.000 0.000 0.273 491 S C 0.360 174.967 174.600 0.012 0.000 1.274 491 S CA -0.015 58.206 58.200 0.035 0.000 1.023 491 S CB 0.420 63.643 63.200 0.038 0.000 0.962 491 S HN 1.234 nan 8.310 nan 0.000 0.523 492 I N 0.711 121.278 120.570 -0.006 0.000 3.762 492 I HA 0.367 4.537 4.170 -0.000 0.000 0.333 492 I C -0.588 175.618 176.117 0.149 0.000 1.566 492 I CA -0.623 60.657 61.300 -0.033 0.000 1.129 492 I CB -0.078 37.730 38.000 -0.320 0.000 1.218 492 I HN 0.444 nan 8.210 nan 0.000 0.456 493 L N 2.234 123.545 121.223 0.148 0.000 2.546 493 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 493 L C 0.521 177.450 176.870 0.098 0.000 1.327 493 L CA 0.580 55.500 54.840 0.132 0.000 1.199 493 L CB -0.775 41.307 42.059 0.038 0.000 1.401 493 L HN 0.506 nan 8.230 nan 0.000 0.440 494 Q N 3.470 123.365 119.800 0.158 0.000 2.389 494 Q HA 0.483 4.823 4.340 -0.000 0.000 0.244 494 Q C 0.005 176.096 176.000 0.152 0.000 1.056 494 Q CA 0.048 55.931 55.803 0.135 0.000 0.908 494 Q CB 0.623 29.443 28.738 0.137 0.000 1.273 494 Q HN 0.700 nan 8.270 nan 0.000 0.471 495 A N 3.083 125.981 122.820 0.129 0.000 2.259 495 A HA 0.044 4.363 4.320 -0.000 0.000 0.229 495 A C 0.276 177.939 177.584 0.130 0.000 2.254 495 A CA -0.020 52.132 52.037 0.191 0.000 2.123 495 A CB -1.383 17.826 19.000 0.348 0.000 0.295 495 A HN 0.825 nan 8.150 nan 0.000 0.956 496 G N -0.888 107.967 108.800 0.093 0.000 2.599 496 G HA2 0.256 4.216 3.960 -0.000 0.000 0.210 496 G HA3 0.256 4.216 3.960 -0.000 0.000 0.210 496 G C 1.308 176.280 174.900 0.119 0.000 1.177 496 G CA 1.379 46.507 45.100 0.046 0.000 0.835 496 G HN 1.086 nan 8.290 nan 0.000 0.575 497 C N -2.223 117.144 119.300 0.111 0.000 3.095 497 C HA 0.619 5.078 4.460 -0.000 0.000 0.472 497 C C 1.203 176.263 174.990 0.118 0.000 1.348 497 C CA 0.442 59.531 59.018 0.117 0.000 2.206 497 C CB -0.238 27.546 27.740 0.073 0.000 3.088 497 C HN 0.597 nan 8.230 nan 0.000 0.599 498 C N -1.616 117.746 119.300 0.104 0.000 3.352 498 C HA 0.664 5.124 4.460 -0.000 0.000 0.318 498 C C -0.034 175.004 174.990 0.081 0.000 5.377 498 C CA 0.550 59.623 59.018 0.090 0.000 1.473 498 C CB 0.601 28.380 27.740 0.064 0.000 6.171 498 C HN 0.530 nan 8.230 nan 0.000 0.436 499 G N 0.000 108.834 108.800 0.057 0.000 5.446 499 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 499 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 499 G CA 0.000 45.127 45.100 0.045 0.000 0.502 499 G HN 0.000 nan 8.290 nan 0.000 0.925