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 1s6y_1_A DATA FIRST_RESID 4 DATA SEQUENCE RLKIATIGGG SSYTPELVEG LIKRYHELPV GELWLVDIPE GKEKLEIVGA DATA SEQUENCE LAKRXVEKAG VPIEIHLTLD RRRALDGADF VTTQFRVGGL EARAKDERIP DATA SEQUENCE LKYGVIGQET NGPGGLFKGL RTIPVILDII RDXEELCPDA WLINFTNPAG DATA SEQUENCE XVTEAVLRYT KQEKVVGLCN VPIGXRXGVA KLLGVDADRV HIDFAGLNHX DATA SEQUENCE VFGLHVYLDG VEVTEKVIDL VAHPXXXXXX XXXXXXLGWE PDFLKGLKVL DATA SEQUENCE PCPYHRYYFQ TDKXLAEELE AAKTKGTRAE VVQQLEKELF ELYKDPXXXX DATA SEQUENCE XXXXXXXXXX RGGAYYSDAA CSLISSIYND KRDIQPVNTR NNGAIASISA DATA SEQUENCE ESAVEVNCVI TKDGPKPIAV GDLPVAVRGL VQQIKSFERV AAEAAVTGDY DATA SEQUENCE QTALVAXTIN PLVPSDTIAK QILDEXLEAH KEYLPQFFKQ AK 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.342 176.300 0.070 0.000 0.893 4 R CA 0.000 56.138 56.100 0.064 0.000 0.921 4 R CB 0.000 30.341 30.300 0.068 0.000 0.687 5 L N 2.013 123.269 121.223 0.053 0.000 2.317 5 L HA 0.544 4.884 4.340 0.001 0.000 0.281 5 L C -0.093 176.852 176.870 0.126 0.000 1.024 5 L CA -0.629 54.265 54.840 0.089 0.000 0.810 5 L CB 1.649 43.741 42.059 0.055 0.000 1.240 5 L HN 0.377 nan 8.230 nan 0.000 0.427 6 K N 3.963 124.445 120.400 0.138 0.000 2.206 6 K HA 0.656 4.976 4.320 0.001 0.000 0.264 6 K C -1.287 175.427 176.600 0.191 0.000 0.967 6 K CA -0.485 55.899 56.287 0.161 0.000 0.844 6 K CB 1.338 33.883 32.500 0.076 0.000 1.099 6 K HN 0.538 nan 8.250 nan 0.000 0.441 7 I N 3.441 124.150 120.570 0.232 0.000 2.418 7 I HA 0.328 4.498 4.170 0.001 0.000 0.287 7 I C -0.530 175.725 176.117 0.229 0.000 1.008 7 I CA -0.903 60.538 61.300 0.235 0.000 1.104 7 I CB 1.970 40.093 38.000 0.205 0.000 1.264 7 I HN 0.669 nan 8.210 nan 0.000 0.438 8 A N 4.159 127.086 122.820 0.178 0.000 2.274 8 A HA 0.725 5.045 4.320 0.001 0.000 0.309 8 A C -0.172 177.492 177.584 0.134 0.000 1.226 8 A CA -0.309 51.824 52.037 0.159 0.000 0.853 8 A CB 0.611 19.651 19.000 0.067 0.000 1.146 8 A HN 0.626 nan 8.150 nan 0.000 0.518 9 T N 3.727 118.355 114.554 0.125 0.000 2.893 9 T HA 0.403 4.753 4.350 0.001 0.000 0.324 9 T C -0.306 174.431 174.700 0.062 0.000 1.082 9 T CA 0.074 62.211 62.100 0.062 0.000 0.983 9 T CB -0.210 68.680 68.868 0.037 0.000 1.005 9 T HN 0.433 nan 8.240 nan 0.000 0.475 10 I N 2.759 123.369 120.570 0.066 0.000 2.396 10 I HA 0.455 4.625 4.170 0.001 0.000 0.289 10 I C 1.212 177.414 176.117 0.141 0.000 1.056 10 I CA 0.701 62.047 61.300 0.078 0.000 1.365 10 I CB 0.741 38.772 38.000 0.053 0.000 1.407 10 I HN 0.894 nan 8.210 nan 0.000 0.509 11 G N 4.020 112.887 108.800 0.111 0.000 2.173 11 G HA2 -0.159 3.802 3.960 0.001 0.000 0.174 11 G HA3 -0.159 3.802 3.960 0.001 0.000 0.174 11 G C 0.921 175.866 174.900 0.076 0.000 1.025 11 G CA -0.111 45.068 45.100 0.131 0.000 0.706 11 G HN 0.966 nan 8.290 nan 0.000 0.499 12 G N 0.605 109.441 108.800 0.061 0.000 2.469 12 G HA2 0.123 4.083 3.960 0.001 0.000 0.220 12 G HA3 0.123 4.083 3.960 0.001 0.000 0.220 12 G C 1.636 176.573 174.900 0.061 0.000 1.136 12 G CA 1.342 46.473 45.100 0.051 0.000 0.759 12 G HN 1.601 nan 8.290 nan 0.000 0.562 13 G N -0.024 108.818 108.800 0.071 0.000 3.186 13 G HA2 0.275 4.235 3.960 0.001 0.000 0.214 13 G HA3 0.275 4.235 3.960 0.001 0.000 0.214 13 G C 0.598 175.609 174.900 0.185 0.000 1.222 13 G CA 0.566 45.721 45.100 0.093 0.000 0.921 13 G HN 0.492 nan 8.290 nan 0.000 0.504 14 S N -0.748 115.047 115.700 0.159 0.000 2.586 14 S HA 0.326 4.797 4.470 0.001 0.000 0.274 14 S C 1.824 176.491 174.600 0.112 0.000 1.281 14 S CA 0.212 58.510 58.200 0.163 0.000 1.035 14 S CB 1.413 64.703 63.200 0.149 0.000 0.962 14 S HN 0.184 nan 8.310 nan 0.000 0.512 15 S N 2.712 118.382 115.700 -0.050 0.000 2.383 15 S HA -0.132 4.339 4.470 0.001 0.000 0.229 15 S C 1.093 175.558 174.600 -0.225 0.000 1.030 15 S CA 1.471 59.505 58.200 -0.276 0.000 1.002 15 S CB -0.581 62.263 63.200 -0.594 0.000 0.829 15 S HN 0.830 nan 8.310 nan 0.000 0.467 16 Y N 1.306 121.639 120.300 0.056 0.000 2.490 16 Y HA 0.128 4.681 4.550 0.004 0.000 0.281 16 Y C 2.554 178.478 175.900 0.040 0.000 1.174 16 Y CA 0.468 58.605 58.100 0.062 0.000 1.295 16 Y CB -0.618 37.903 38.460 0.102 0.000 1.062 16 Y HN 0.190 nan 8.280 nan 0.000 0.522 17 T N 1.162 115.781 114.554 0.108 0.000 2.699 17 T HA -0.164 4.186 4.350 0.001 0.000 0.268 17 T C -0.504 174.195 174.700 -0.001 0.000 1.036 17 T CA 1.616 63.741 62.100 0.042 0.000 1.147 17 T CB -1.188 67.677 68.868 -0.005 0.000 0.862 17 T HN 0.245 nan 8.240 nan 0.000 0.446 18 P HA -0.068 nan 4.420 nan 0.000 0.216 18 P C 1.462 178.764 177.300 0.003 0.000 1.150 18 P CA 0.909 63.964 63.100 -0.075 0.000 0.837 18 P CB -0.038 31.583 31.700 -0.133 0.000 0.786 19 E N -0.611 119.622 120.200 0.054 0.000 2.077 19 E HA -0.195 4.156 4.350 0.001 0.000 0.193 19 E C 1.807 178.447 176.600 0.067 0.000 0.989 19 E CA 0.948 57.383 56.400 0.059 0.000 0.800 19 E CB -0.477 29.281 29.700 0.098 0.000 0.746 19 E HN 0.068 nan 8.360 nan 0.000 0.452 20 L N 0.755 122.038 121.223 0.101 0.000 1.994 20 L HA -0.167 4.173 4.340 0.001 0.000 0.208 20 L C 2.626 179.533 176.870 0.062 0.000 1.071 20 L CA 1.970 56.875 54.840 0.108 0.000 0.745 20 L CB -0.910 41.222 42.059 0.122 0.000 0.892 20 L HN 0.138 nan 8.230 nan 0.000 0.431 21 V N -2.183 117.752 119.914 0.035 0.000 2.407 21 V HA -0.260 3.860 4.120 0.001 0.000 0.248 21 V C 2.358 178.462 176.094 0.018 0.000 1.055 21 V CA 1.961 64.272 62.300 0.019 0.000 1.049 21 V CB -1.222 30.596 31.823 -0.009 0.000 0.662 21 V HN 0.706 nan 8.190 nan 0.000 0.455 22 E N 1.541 121.749 120.200 0.014 0.000 2.058 22 E HA -0.151 4.199 4.350 0.001 0.000 0.194 22 E C 2.222 178.837 176.600 0.025 0.000 0.997 22 E CA 1.852 58.260 56.400 0.013 0.000 0.801 22 E CB -0.841 28.863 29.700 0.006 0.000 0.746 22 E HN 0.649 nan 8.360 nan 0.000 0.450 23 G N 1.357 110.175 108.800 0.031 0.000 2.446 23 G HA2 -0.256 3.704 3.960 0.001 0.000 0.217 23 G HA3 -0.256 3.704 3.960 0.001 0.000 0.217 23 G C 1.608 176.533 174.900 0.042 0.000 1.168 23 G CA 0.979 46.100 45.100 0.035 0.000 0.771 23 G HN 0.243 nan 8.290 nan 0.000 0.551 24 L N -0.040 121.212 121.223 0.047 0.000 2.083 24 L HA -0.007 4.333 4.340 0.001 0.000 0.209 24 L C 2.864 179.795 176.870 0.100 0.000 1.083 24 L CA 0.546 55.424 54.840 0.063 0.000 0.752 24 L CB -0.416 41.682 42.059 0.065 0.000 0.899 24 L HN 0.217 nan 8.230 nan 0.000 0.433 25 I N -0.192 120.421 120.570 0.071 0.000 2.142 25 I HA -0.301 3.869 4.170 0.001 0.000 0.240 25 I C 2.665 178.837 176.117 0.092 0.000 1.078 25 I CA 1.353 62.694 61.300 0.069 0.000 1.343 25 I CB -0.348 37.666 38.000 0.024 0.000 1.046 25 I HN 0.171 nan 8.210 nan 0.000 0.405 26 K N 0.660 121.100 120.400 0.066 0.000 2.127 26 K HA -0.182 4.139 4.320 0.001 0.000 0.208 26 K C 1.740 178.390 176.600 0.084 0.000 1.047 26 K CA 1.538 57.863 56.287 0.064 0.000 0.927 26 K CB -0.129 32.398 32.500 0.045 0.000 0.716 26 K HN 0.359 nan 8.250 nan 0.000 0.450 27 R N -1.060 119.494 120.500 0.090 0.000 2.468 27 R HA 0.034 4.375 4.340 0.001 0.000 0.280 27 R C 1.350 177.705 176.300 0.093 0.000 0.963 27 R CA -0.208 55.940 56.100 0.079 0.000 1.083 27 R CB 0.095 30.416 30.300 0.035 0.000 1.200 27 R HN 0.196 nan 8.270 nan 0.000 0.541 28 Y N 1.207 121.532 120.300 0.040 0.000 2.207 28 Y HA -0.338 4.213 4.550 0.002 0.000 0.287 28 Y C 2.493 178.425 175.900 0.052 0.000 1.156 28 Y CA 1.935 60.053 58.100 0.029 0.000 1.182 28 Y CB -0.208 38.267 38.460 0.024 0.000 0.979 28 Y HN 0.206 nan 8.280 nan 0.000 0.521 29 H N 0.585 119.640 119.070 -0.025 0.000 2.353 29 H HA -0.181 4.376 4.556 0.001 0.000 0.298 29 H C 1.662 176.914 175.328 -0.127 0.000 1.103 29 H CA 2.357 58.361 56.048 -0.072 0.000 1.293 29 H CB 0.003 29.781 29.762 0.027 0.000 1.372 29 H HN 0.589 nan 8.280 nan 0.000 0.501 30 E N -0.045 120.200 120.200 0.074 0.000 2.158 30 E HA 0.050 4.401 4.350 0.001 0.000 0.191 30 E C 0.497 177.069 176.600 -0.047 0.000 0.982 30 E CA 0.171 56.609 56.400 0.064 0.000 0.823 30 E CB 0.445 30.206 29.700 0.102 0.000 0.766 30 E HN 0.296 nan 8.360 nan 0.000 0.468 31 L N 2.677 123.771 121.223 -0.215 0.000 2.384 31 L HA 0.255 4.596 4.340 0.001 0.000 0.261 31 L C -2.377 174.190 176.870 -0.504 0.000 1.024 31 L CA -1.969 52.659 54.840 -0.353 0.000 0.899 31 L CB 1.568 43.493 42.059 -0.223 0.000 1.243 31 L HN -0.182 nan 8.230 nan 0.000 0.449 32 P HA 0.023 nan 4.420 nan 0.000 0.241 32 P C -0.122 177.081 177.300 -0.161 0.000 1.760 32 P CA -0.005 62.813 63.100 -0.470 0.000 1.081 32 P CB 0.108 31.637 31.700 -0.284 0.000 1.975 33 V N 2.673 122.584 119.914 -0.006 0.000 2.405 33 V HA 0.160 4.280 4.120 0.001 0.000 0.264 33 V C 1.981 178.195 176.094 0.200 0.000 1.048 33 V CA 0.642 63.002 62.300 0.101 0.000 0.966 33 V CB 0.456 32.348 31.823 0.116 0.000 1.015 33 V HN 0.435 nan 8.190 nan 0.000 0.477 34 G N 4.809 113.703 108.800 0.157 0.000 2.396 34 G HA2 0.011 3.972 3.960 0.001 0.000 0.214 34 G HA3 0.011 3.972 3.960 0.001 0.000 0.214 34 G C 0.391 175.396 174.900 0.175 0.000 1.166 34 G CA 0.262 45.460 45.100 0.164 0.000 0.793 34 G HN 0.749 nan 8.290 nan 0.000 0.533 35 E N -0.780 119.547 120.200 0.211 0.000 2.308 35 E HA 0.522 4.873 4.350 0.001 0.000 0.275 35 E C -2.003 174.781 176.600 0.308 0.000 0.890 35 E CA -1.024 55.543 56.400 0.278 0.000 0.754 35 E CB 2.264 32.195 29.700 0.385 0.000 1.207 35 E HN 0.038 nan 8.360 nan 0.000 0.426 36 L N 2.851 124.215 121.223 0.234 0.000 2.318 36 L HA 0.485 4.826 4.340 0.001 0.000 0.277 36 L C -1.839 175.149 176.870 0.197 0.000 1.008 36 L CA -0.425 54.547 54.840 0.219 0.000 0.846 36 L CB 0.425 42.553 42.059 0.115 0.000 1.220 36 L HN 0.588 nan 8.230 nan 0.000 0.423 37 W N 6.540 127.897 121.300 0.094 0.000 2.332 37 W HA 0.505 5.167 4.660 0.003 0.000 0.306 37 W C -0.634 175.919 176.519 0.057 0.000 1.149 37 W CA -0.359 57.038 57.345 0.087 0.000 1.271 37 W CB 0.864 30.348 29.460 0.040 0.000 1.243 37 W HN 0.320 nan 8.180 nan 0.000 0.459 38 L N 5.924 127.255 121.223 0.180 0.000 2.255 38 L HA 0.467 4.808 4.340 0.001 0.000 0.289 38 L C 0.171 177.115 176.870 0.123 0.000 1.046 38 L CA -0.928 53.981 54.840 0.115 0.000 0.816 38 L CB 0.285 42.370 42.059 0.043 0.000 1.197 38 L HN 0.196 nan 8.230 nan 0.000 0.427 39 V N 2.532 122.518 119.914 0.120 0.000 2.769 39 V HA 0.682 4.802 4.120 0.001 0.000 0.312 39 V C -0.972 175.153 176.094 0.051 0.000 1.058 39 V CA -0.066 62.292 62.300 0.097 0.000 0.952 39 V CB 2.256 34.140 31.823 0.101 0.000 1.019 39 V HN 0.845 nan 8.190 nan 0.000 0.445 40 D N 1.686 122.105 120.400 0.031 0.000 2.946 40 D HA 0.475 5.116 4.640 0.001 0.000 0.337 40 D C -1.452 174.847 176.300 -0.002 0.000 1.332 40 D CA -0.112 53.896 54.000 0.013 0.000 0.935 40 D CB 2.182 42.996 40.800 0.023 0.000 1.440 40 D HN 0.822 nan 8.370 nan 0.000 0.540 41 I N -2.411 118.158 120.570 -0.003 0.000 2.846 41 I HA 0.445 4.615 4.170 0.001 0.000 0.307 41 I C -2.110 174.010 176.117 0.005 0.000 1.053 41 I CA -2.220 59.079 61.300 -0.003 0.000 1.050 41 I CB 2.116 40.112 38.000 -0.006 0.000 1.239 41 I HN 0.055 nan 8.210 nan 0.000 0.439 42 P HA -0.263 nan 4.420 nan 0.000 0.220 42 P C 0.975 178.277 177.300 0.004 0.000 1.155 42 P CA 1.894 64.997 63.100 0.005 0.000 0.880 42 P CB -0.080 31.625 31.700 0.008 0.000 0.790 43 E N -0.873 119.336 120.200 0.014 0.000 2.526 43 E HA 0.037 4.387 4.350 0.001 0.000 0.198 43 E C 0.989 177.589 176.600 -0.001 0.000 1.091 43 E CA 0.789 57.199 56.400 0.016 0.000 0.880 43 E CB -0.754 28.973 29.700 0.044 0.000 0.873 43 E HN 0.217 nan 8.360 nan 0.000 0.527 44 G N 2.064 110.857 108.800 -0.012 0.000 4.658 44 G HA2 -0.004 3.956 3.960 0.001 0.000 0.279 44 G HA3 -0.004 3.956 3.960 0.001 0.000 0.279 44 G C 0.803 175.673 174.900 -0.050 0.000 0.997 44 G CA -0.164 44.915 45.100 -0.035 0.000 0.765 44 G HN 0.211 nan 8.290 nan 0.000 0.442 45 K N 0.076 120.451 120.400 -0.042 0.000 2.366 45 K HA 0.199 4.519 4.320 0.001 0.000 0.198 45 K C 1.463 178.026 176.600 -0.062 0.000 1.044 45 K CA 0.752 57.016 56.287 -0.038 0.000 0.973 45 K CB 0.194 32.681 32.500 -0.021 0.000 0.767 45 K HN 0.260 nan 8.250 nan 0.000 0.475 46 E N 1.669 121.815 120.200 -0.090 0.000 2.051 46 E HA -0.142 4.208 4.350 0.001 0.000 0.192 46 E C 1.765 178.254 176.600 -0.186 0.000 0.991 46 E CA 1.401 57.729 56.400 -0.120 0.000 0.799 46 E CB 0.063 29.683 29.700 -0.134 0.000 0.748 46 E HN 0.345 nan 8.360 nan 0.000 0.449 47 K N 0.496 120.724 120.400 -0.287 0.000 2.103 47 K HA -0.176 4.145 4.320 0.001 0.000 0.207 47 K C 2.150 178.680 176.600 -0.117 0.000 1.048 47 K CA 0.842 56.869 56.287 -0.433 0.000 0.930 47 K CB -0.133 32.083 32.500 -0.474 0.000 0.716 47 K HN 0.037 nan 8.250 nan 0.000 0.444 48 L N 1.665 122.849 121.223 -0.064 0.000 2.072 48 L HA -0.125 4.215 4.340 0.001 0.000 0.205 48 L C 1.679 178.538 176.870 -0.018 0.000 1.079 48 L CA 1.804 56.636 54.840 -0.013 0.000 0.752 48 L CB -0.192 41.862 42.059 -0.008 0.000 0.906 48 L HN 0.091 nan 8.230 nan 0.000 0.436 49 E N -0.675 119.506 120.200 -0.032 0.000 2.152 49 E HA -0.174 4.176 4.350 0.001 0.000 0.192 49 E C 2.088 178.682 176.600 -0.011 0.000 0.983 49 E CA 1.118 57.501 56.400 -0.028 0.000 0.818 49 E CB -0.060 29.622 29.700 -0.032 0.000 0.758 49 E HN 0.387 nan 8.360 nan 0.000 0.467 50 I N 0.642 121.215 120.570 0.005 0.000 2.090 50 I HA -0.242 3.929 4.170 0.001 0.000 0.236 50 I C 2.539 178.702 176.117 0.076 0.000 1.064 50 I CA 1.133 62.480 61.300 0.078 0.000 1.324 50 I CB -1.031 37.062 38.000 0.154 0.000 1.044 50 I HN 0.082 nan 8.210 nan 0.000 0.399 51 V N -0.982 118.976 119.914 0.074 0.000 2.515 51 V HA -0.015 4.105 4.120 0.001 0.000 0.250 51 V C 2.335 178.368 176.094 -0.101 0.000 1.058 51 V CA 1.684 63.931 62.300 -0.089 0.000 1.064 51 V CB -1.888 29.898 31.823 -0.063 0.000 0.675 51 V HN 0.392 nan 8.190 nan 0.000 0.461 52 G N 0.106 108.876 108.800 -0.050 0.000 2.442 52 G HA2 -0.151 3.810 3.960 0.001 0.000 0.219 52 G HA3 -0.151 3.810 3.960 0.001 0.000 0.219 52 G C 1.685 176.541 174.900 -0.074 0.000 1.141 52 G CA 1.272 46.335 45.100 -0.062 0.000 0.763 52 G HN 0.891 nan 8.290 nan 0.000 0.554 53 A N 0.353 123.139 122.820 -0.056 0.000 1.897 53 A HA 0.197 4.518 4.320 0.001 0.000 0.215 53 A C 2.300 179.852 177.584 -0.053 0.000 1.181 53 A CA 1.187 53.195 52.037 -0.049 0.000 0.620 53 A CB -0.423 18.564 19.000 -0.023 0.000 0.821 53 A HN 0.312 nan 8.150 nan 0.000 0.443 54 L N 0.145 121.330 121.223 -0.063 0.000 2.012 54 L HA -0.164 4.177 4.340 0.001 0.000 0.210 54 L C 2.753 179.569 176.870 -0.091 0.000 1.073 54 L CA 2.435 57.229 54.840 -0.076 0.000 0.748 54 L CB -1.495 40.473 42.059 -0.151 0.000 0.891 54 L HN 0.420 nan 8.230 nan 0.000 0.431 55 A N -0.422 122.331 122.820 -0.112 0.000 1.948 55 A HA -0.232 4.088 4.320 0.001 0.000 0.220 55 A C 2.229 179.765 177.584 -0.079 0.000 1.177 55 A CA 1.709 53.690 52.037 -0.093 0.000 0.636 55 A CB -0.369 18.578 19.000 -0.089 0.000 0.815 55 A HN 0.435 nan 8.150 nan 0.000 0.449 56 K N -0.057 120.294 120.400 -0.082 0.000 2.025 56 K HA -0.038 4.283 4.320 0.001 0.000 0.207 56 K C 1.139 177.699 176.600 -0.067 0.000 1.049 56 K CA 0.464 56.701 56.287 -0.083 0.000 0.933 56 K CB -0.278 32.169 32.500 -0.088 0.000 0.714 56 K HN 0.481 nan 8.250 nan 0.000 0.438 60 E N 1.052 121.211 120.200 -0.069 0.000 2.107 60 E HA -0.116 4.234 4.350 0.001 0.000 0.191 60 E C 2.071 178.642 176.600 -0.049 0.000 0.982 60 E CA 1.289 57.651 56.400 -0.063 0.000 0.809 60 E CB 0.045 29.709 29.700 -0.060 0.000 0.756 60 E HN 0.570 nan 8.360 nan 0.000 0.459 61 K N 0.514 120.890 120.400 -0.040 0.000 2.057 61 K HA -0.109 4.212 4.320 0.001 0.000 0.207 61 K C 1.684 178.267 176.600 -0.027 0.000 1.049 61 K CA 1.309 57.579 56.287 -0.028 0.000 0.931 61 K CB -0.100 32.388 32.500 -0.021 0.000 0.714 61 K HN 0.119 nan 8.250 nan 0.000 0.440 62 A N 0.258 123.058 122.820 -0.033 0.000 2.235 62 A HA 0.167 4.488 4.320 0.001 0.000 0.208 62 A C 1.062 178.619 177.584 -0.045 0.000 1.172 62 A CA 0.926 52.944 52.037 -0.031 0.000 0.786 62 A CB -0.452 18.530 19.000 -0.029 0.000 0.804 62 A HN 0.491 nan 8.150 nan 0.000 0.479 63 G N -0.886 107.879 108.800 -0.058 0.000 2.350 63 G HA2 -0.115 3.846 3.960 0.001 0.000 0.298 63 G HA3 -0.115 3.846 3.960 0.001 0.000 0.298 63 G C -0.178 174.652 174.900 -0.117 0.000 1.037 63 G CA 0.415 45.473 45.100 -0.070 0.000 1.074 63 G HN 0.882 nan 8.290 nan 0.000 0.511 64 V N 1.763 121.576 119.914 -0.168 0.000 2.483 64 V HA 0.542 4.663 4.120 0.001 0.000 0.297 64 V C -1.567 174.319 176.094 -0.346 0.000 1.027 64 V CA -1.152 60.950 62.300 -0.329 0.000 0.855 64 V CB 2.430 34.080 31.823 -0.288 0.000 0.995 64 V HN 0.240 nan 8.190 nan 0.000 0.424 65 P HA 0.301 nan 4.420 nan 0.000 0.220 65 P C -0.215 176.990 177.300 -0.159 0.000 1.793 65 P CA -0.143 62.813 63.100 -0.239 0.000 0.917 65 P CB -0.204 31.397 31.700 -0.165 0.000 1.755 66 I N 0.787 121.268 120.570 -0.147 0.000 2.471 66 I HA 0.073 4.244 4.170 0.001 0.000 0.286 66 I C 1.027 177.118 176.117 -0.044 0.000 1.079 66 I CA -0.144 61.139 61.300 -0.027 0.000 1.398 66 I CB 0.464 38.468 38.000 0.006 0.000 1.403 66 I HN -0.127 nan 8.210 nan 0.000 0.530 67 E N 6.885 127.080 120.200 -0.008 0.000 2.180 67 E HA 0.237 4.588 4.350 0.001 0.000 0.283 67 E C -0.321 176.201 176.600 -0.131 0.000 1.061 67 E CA -0.318 56.028 56.400 -0.090 0.000 0.861 67 E CB 1.028 30.727 29.700 -0.003 0.000 1.056 67 E HN 0.328 nan 8.360 nan 0.000 0.407 68 I N 4.715 125.141 120.570 -0.241 0.000 2.337 68 I HA 0.103 4.274 4.170 0.001 0.000 0.291 68 I C 0.615 176.445 176.117 -0.477 0.000 1.046 68 I CA -0.170 60.988 61.300 -0.237 0.000 1.324 68 I CB 0.010 37.908 38.000 -0.169 0.000 1.409 68 I HN 0.236 nan 8.210 nan 0.000 0.494 69 H N 6.431 125.180 119.070 -0.535 0.000 2.466 69 H HA 0.429 4.986 4.556 0.002 0.000 0.338 69 H C -0.813 174.238 175.328 -0.463 0.000 1.091 69 H CA -0.961 54.619 56.048 -0.780 0.000 1.207 69 H CB 2.661 31.257 29.762 -1.944 0.000 1.466 69 H HN 0.228 nan 8.280 nan 0.000 0.493 70 L N 2.229 123.329 121.223 -0.204 0.000 2.307 70 L HA 0.386 4.726 4.340 0.001 0.000 0.284 70 L C 0.567 177.445 176.870 0.012 0.000 1.023 70 L CA -0.075 54.727 54.840 -0.063 0.000 0.810 70 L CB 1.604 43.623 42.059 -0.067 0.000 1.231 70 L HN 0.667 nan 8.230 nan 0.000 0.423 71 T N 2.651 117.265 114.554 0.099 0.000 2.840 71 T HA 0.537 4.888 4.350 0.001 0.000 0.317 71 T C 0.159 174.918 174.700 0.098 0.000 1.401 71 T CA -0.461 61.720 62.100 0.134 0.000 1.028 71 T CB 0.807 69.840 68.868 0.275 0.000 1.317 71 T HN 0.429 nan 8.240 nan 0.000 0.495 72 L N 1.564 122.830 121.223 0.072 0.000 2.667 72 L HA 0.420 4.760 4.340 0.001 0.000 0.232 72 L C 0.232 177.124 176.870 0.037 0.000 1.138 72 L CA -0.064 54.801 54.840 0.043 0.000 0.921 72 L CB 0.337 42.411 42.059 0.025 0.000 1.180 72 L HN 0.519 nan 8.230 nan 0.000 0.487 73 D N 0.907 121.343 120.400 0.061 0.000 2.472 73 D HA 0.108 4.749 4.640 0.001 0.000 0.234 73 D C 1.255 177.575 176.300 0.033 0.000 1.088 73 D CA -0.543 53.481 54.000 0.039 0.000 0.882 73 D CB 1.038 41.866 40.800 0.047 0.000 1.037 73 D HN 0.177 nan 8.370 nan 0.000 0.520 74 R N 3.118 123.618 120.500 -0.000 0.000 2.236 74 R HA 0.102 4.443 4.340 0.001 0.000 0.208 74 R C 1.238 177.497 176.300 -0.069 0.000 1.036 74 R CA 0.441 56.529 56.100 -0.020 0.000 1.001 74 R CB 0.048 30.328 30.300 -0.034 0.000 0.896 74 R HN 0.182 nan 8.270 nan 0.000 0.464 75 R N 0.513 120.972 120.500 -0.070 0.000 2.148 75 R HA -0.037 4.303 4.340 0.001 0.000 0.227 75 R C 2.220 178.422 176.300 -0.163 0.000 1.103 75 R CA 1.367 57.408 56.100 -0.098 0.000 0.983 75 R CB -0.317 29.941 30.300 -0.070 0.000 0.874 75 R HN 0.285 nan 8.270 nan 0.000 0.451 76 R N 0.700 121.096 120.500 -0.174 0.000 2.073 76 R HA -0.022 4.318 4.340 0.001 0.000 0.229 76 R C 2.168 178.019 176.300 -0.749 0.000 1.120 76 R CA 1.228 57.138 56.100 -0.316 0.000 0.967 76 R CB -0.108 30.126 30.300 -0.111 0.000 0.862 76 R HN 0.192 nan 8.270 nan 0.000 0.436 77 A N 0.773 123.249 122.820 -0.573 0.000 1.930 77 A HA -0.078 4.242 4.320 0.001 0.000 0.217 77 A C 2.064 179.348 177.584 -0.500 0.000 1.175 77 A CA 0.958 52.593 52.037 -0.670 0.000 0.627 77 A CB -0.332 18.657 19.000 -0.019 0.000 0.815 77 A HN 0.298 nan 8.150 nan 0.000 0.443 78 L N -0.391 120.653 121.223 -0.299 0.000 2.313 78 L HA -0.020 4.321 4.340 0.001 0.000 0.214 78 L C 0.498 177.235 176.870 -0.222 0.000 1.119 78 L CA 0.022 54.744 54.840 -0.198 0.000 0.809 78 L CB -0.418 41.568 42.059 -0.121 0.000 0.933 78 L HN 0.249 nan 8.230 nan 0.000 0.449 79 D N 1.343 121.571 120.400 -0.286 0.000 2.455 79 D HA 0.034 4.675 4.640 0.001 0.000 0.265 79 D C 1.234 177.398 176.300 -0.225 0.000 1.284 79 D CA 1.205 55.062 54.000 -0.239 0.000 0.944 79 D CB 0.487 41.128 40.800 -0.264 0.000 1.121 79 D HN 0.359 nan 8.370 nan 0.000 0.525 80 G N 2.875 111.586 108.800 -0.149 0.000 2.168 80 G HA2 -0.220 3.740 3.960 0.001 0.000 0.257 80 G HA3 -0.220 3.740 3.960 0.001 0.000 0.257 80 G C 0.555 175.396 174.900 -0.099 0.000 0.997 80 G CA 0.437 45.470 45.100 -0.112 0.000 0.708 80 G HN 0.894 nan 8.290 nan 0.000 0.520 81 A N -0.403 122.350 122.820 -0.113 0.000 2.445 81 A HA 0.537 4.857 4.320 0.001 0.000 0.242 81 A C 1.178 178.733 177.584 -0.048 0.000 1.075 81 A CA 0.799 52.797 52.037 -0.064 0.000 0.777 81 A CB 0.358 19.327 19.000 -0.052 0.000 1.013 81 A HN 0.276 nan 8.150 nan 0.000 0.493 82 D N -0.046 120.348 120.400 -0.011 0.000 2.323 82 D HA 0.161 4.801 4.640 0.001 0.000 0.218 82 D C -0.602 175.475 176.300 -0.372 0.000 0.973 82 D CA 1.219 55.140 54.000 -0.132 0.000 0.890 82 D CB 0.227 41.017 40.800 -0.017 0.000 1.011 82 D HN 0.484 nan 8.370 nan 0.000 0.499 83 F N 0.429 120.456 119.950 0.129 0.000 2.565 83 F HA 0.376 4.904 4.527 0.001 0.000 0.313 83 F C -0.349 175.524 175.800 0.122 0.000 1.091 83 F CA -1.016 57.082 58.000 0.163 0.000 0.915 83 F CB 2.359 41.447 39.000 0.147 0.000 1.208 83 F HN -0.427 nan 8.300 nan 0.000 0.453 84 V N 1.444 121.545 119.914 0.312 0.000 2.483 84 V HA 0.555 4.676 4.120 0.001 0.000 0.297 84 V C -0.374 175.852 176.094 0.220 0.000 1.027 84 V CA -0.797 61.626 62.300 0.205 0.000 0.855 84 V CB 1.893 33.795 31.823 0.131 0.000 0.995 84 V HN 0.840 nan 8.190 nan 0.000 0.424 85 T N 0.747 115.395 114.554 0.157 0.000 2.859 85 T HA 0.728 5.078 4.350 0.001 0.000 0.281 85 T C -0.139 174.571 174.700 0.018 0.000 1.005 85 T CA -0.499 61.656 62.100 0.091 0.000 1.025 85 T CB 1.682 70.550 68.868 0.001 0.000 0.977 85 T HN 0.797 nan 8.240 nan 0.000 0.458 86 T N 1.000 115.552 114.554 -0.003 0.000 2.809 86 T HA 0.559 4.909 4.350 0.001 0.000 0.284 86 T C -0.269 174.313 174.700 -0.197 0.000 0.992 86 T CA -0.922 61.207 62.100 0.048 0.000 0.957 86 T CB 1.213 70.207 68.868 0.211 0.000 0.942 86 T HN 0.883 nan 8.240 nan 0.000 0.439 87 Q N 2.174 121.866 119.800 -0.179 0.000 2.409 87 Q HA 0.407 4.748 4.340 0.001 0.000 0.345 87 Q C -0.860 175.114 176.000 -0.043 0.000 0.847 87 Q CA -1.003 54.646 55.803 -0.258 0.000 1.092 87 Q CB -0.224 28.234 28.738 -0.467 0.000 1.377 87 Q HN 0.729 nan 8.270 nan 0.000 0.399 88 F N -1.079 118.839 119.950 -0.052 0.000 2.497 88 F HA 0.779 5.306 4.527 -0.000 0.000 0.331 88 F C -0.371 175.422 175.800 -0.012 0.000 1.060 88 F CA -1.437 56.551 58.000 -0.019 0.000 0.989 88 F CB 1.317 40.309 39.000 -0.013 0.000 1.245 88 F HN -0.106 nan 8.300 nan 0.000 0.486 89 R N 1.904 122.511 120.500 0.178 0.000 2.451 89 R HA 0.539 4.880 4.340 0.001 0.000 0.307 89 R C -1.645 174.723 176.300 0.114 0.000 0.965 89 R CA -0.948 55.191 56.100 0.065 0.000 0.865 89 R CB 2.183 32.503 30.300 0.033 0.000 1.174 89 R HN 0.629 nan 8.270 nan 0.000 0.455 90 V N 2.483 122.452 119.914 0.091 0.000 2.488 90 V HA 0.288 4.409 4.120 0.001 0.000 0.277 90 V C 1.341 177.228 176.094 -0.346 0.000 1.046 90 V CA 0.727 63.020 62.300 -0.012 0.000 0.986 90 V CB 1.099 32.981 31.823 0.099 0.000 0.989 90 V HN 1.135 nan 8.190 nan 0.000 0.475 91 G N 3.370 111.715 108.800 -0.759 0.000 2.205 91 G HA2 0.028 3.988 3.960 0.001 0.000 0.261 91 G HA3 0.028 3.988 3.960 0.001 0.000 0.261 91 G C 0.967 175.628 174.900 -0.399 0.000 0.980 91 G CA 0.206 44.583 45.100 -1.204 0.000 0.632 91 G HN 2.288 nan 8.290 nan 0.000 0.533 92 G N -1.007 107.676 108.800 -0.196 0.000 2.698 92 G HA2 -0.081 3.880 3.960 0.001 0.000 0.233 92 G HA3 -0.081 3.880 3.960 0.001 0.000 0.233 92 G C 0.804 175.688 174.900 -0.026 0.000 1.352 92 G CA 0.144 45.209 45.100 -0.058 0.000 0.879 92 G HN 1.160 nan 8.290 nan 0.000 0.567 93 L N -0.199 121.033 121.223 0.015 0.000 2.291 93 L HA 0.038 4.378 4.340 0.001 0.000 0.214 93 L C 2.703 179.593 176.870 0.034 0.000 1.120 93 L CA 1.705 56.564 54.840 0.031 0.000 0.799 93 L CB -0.296 41.790 42.059 0.046 0.000 0.925 93 L HN 0.700 nan 8.230 nan 0.000 0.446 94 E N 0.890 121.110 120.200 0.034 0.000 2.106 94 E HA -0.178 4.172 4.350 0.001 0.000 0.192 94 E C 2.147 178.790 176.600 0.072 0.000 0.984 94 E CA 1.489 57.919 56.400 0.049 0.000 0.806 94 E CB -0.038 29.696 29.700 0.056 0.000 0.750 94 E HN 0.352 nan 8.360 nan 0.000 0.458 95 A N 0.789 123.643 122.820 0.056 0.000 1.898 95 A HA -0.146 4.175 4.320 0.001 0.000 0.216 95 A C 2.301 179.967 177.584 0.135 0.000 1.181 95 A CA 1.597 53.711 52.037 0.128 0.000 0.620 95 A CB -0.562 18.400 19.000 -0.063 0.000 0.819 95 A HN 0.247 nan 8.150 nan 0.000 0.442 96 R N -0.292 120.238 120.500 0.050 0.000 2.091 96 R HA -0.132 4.209 4.340 0.001 0.000 0.238 96 R C 2.270 178.613 176.300 0.070 0.000 1.136 96 R CA 1.450 57.581 56.100 0.052 0.000 0.959 96 R CB -0.410 29.912 30.300 0.036 0.000 0.856 96 R HN 0.439 nan 8.270 nan 0.000 0.437 97 A N 1.381 124.240 122.820 0.064 0.000 1.940 97 A HA -0.165 4.155 4.320 0.001 0.000 0.219 97 A C 1.909 179.523 177.584 0.051 0.000 1.176 97 A CA 1.448 53.515 52.037 0.051 0.000 0.631 97 A CB -0.303 18.722 19.000 0.041 0.000 0.814 97 A HN 0.262 nan 8.150 nan 0.000 0.446 98 K N -0.251 120.192 120.400 0.072 0.000 2.097 98 K HA -0.121 4.199 4.320 0.001 0.000 0.205 98 K C 1.311 177.944 176.600 0.055 0.000 1.050 98 K CA 1.346 57.653 56.287 0.033 0.000 0.938 98 K CB -0.380 32.109 32.500 -0.019 0.000 0.718 98 K HN 0.420 nan 8.250 nan 0.000 0.442 99 D N 1.232 121.712 120.400 0.132 0.000 2.144 99 D HA -0.129 4.511 4.640 0.001 0.000 0.199 99 D C 1.720 178.055 176.300 0.059 0.000 0.984 99 D CA 1.189 55.258 54.000 0.113 0.000 0.834 99 D CB 0.033 40.900 40.800 0.112 0.000 0.955 99 D HN 0.383 nan 8.370 nan 0.000 0.465 100 E N -0.111 120.120 120.200 0.051 0.000 2.170 100 E HA 0.052 4.403 4.350 0.001 0.000 0.191 100 E C 2.168 178.788 176.600 0.033 0.000 0.981 100 E CA 0.245 56.667 56.400 0.038 0.000 0.830 100 E CB 0.285 30.007 29.700 0.038 0.000 0.775 100 E HN 0.149 nan 8.360 nan 0.000 0.470 101 R N 0.398 120.916 120.500 0.029 0.000 2.080 101 R HA 0.088 4.429 4.340 0.001 0.000 0.222 101 R C 2.389 178.709 176.300 0.033 0.000 1.107 101 R CA 0.556 56.670 56.100 0.023 0.000 0.980 101 R CB -0.094 30.213 30.300 0.012 0.000 0.879 101 R HN 0.122 nan 8.270 nan 0.000 0.439 102 I N 1.310 121.896 120.570 0.028 0.000 2.127 102 I HA -0.212 3.958 4.170 0.001 0.000 0.241 102 I C -0.833 175.382 176.117 0.164 0.000 1.075 102 I CA 1.437 62.773 61.300 0.060 0.000 1.334 102 I CB -0.985 37.005 38.000 -0.017 0.000 1.040 102 I HN 0.086 nan 8.210 nan 0.000 0.405 103 P HA -0.118 nan 4.420 nan 0.000 0.221 103 P C 1.747 179.159 177.300 0.187 0.000 1.150 103 P CA 0.865 64.055 63.100 0.150 0.000 0.800 103 P CB 0.052 31.780 31.700 0.047 0.000 0.787 104 L N 0.074 121.361 121.223 0.107 0.000 2.081 104 L HA -0.199 4.142 4.340 0.001 0.000 0.212 104 L C 2.096 178.997 176.870 0.051 0.000 1.080 104 L CA 1.909 56.789 54.840 0.067 0.000 0.754 104 L CB -1.418 40.662 42.059 0.036 0.000 0.893 104 L HN -0.068 nan 8.230 nan 0.000 0.433 105 K N -1.717 118.704 120.400 0.035 0.000 2.160 105 K HA -0.202 4.119 4.320 0.001 0.000 0.206 105 K C 1.670 178.145 176.600 -0.209 0.000 1.047 105 K CA 1.689 57.901 56.287 -0.125 0.000 0.930 105 K CB -0.265 32.085 32.500 -0.250 0.000 0.720 105 K HN 0.334 nan 8.250 nan 0.000 0.450 106 Y N -0.682 119.615 120.300 -0.006 0.000 2.466 106 Y HA 0.172 4.723 4.550 0.001 0.000 0.272 106 Y C 1.260 177.161 175.900 0.001 0.000 1.169 106 Y CA 0.174 58.273 58.100 -0.001 0.000 1.285 106 Y CB 0.792 39.253 38.460 0.001 0.000 1.078 106 Y HN 0.174 nan 8.280 nan 0.000 0.523 107 G N 0.610 109.476 108.800 0.109 0.000 2.160 107 G HA2 -0.241 3.719 3.960 0.001 0.000 0.244 107 G HA3 -0.241 3.719 3.960 0.001 0.000 0.244 107 G C -0.393 174.550 174.900 0.072 0.000 1.022 107 G CA 0.209 45.350 45.100 0.068 0.000 0.741 107 G HN 0.147 nan 8.290 nan 0.000 0.508 108 V N 1.786 121.754 119.914 0.090 0.000 2.715 108 V HA 0.507 4.627 4.120 0.001 0.000 0.310 108 V C 1.177 177.295 176.094 0.039 0.000 1.054 108 V CA -1.398 60.936 62.300 0.056 0.000 0.928 108 V CB 1.813 33.665 31.823 0.048 0.000 1.007 108 V HN 0.257 nan 8.190 nan 0.000 0.437 109 I N 3.158 123.737 120.570 0.016 0.000 2.906 109 I HA 0.052 4.223 4.170 0.001 0.000 0.302 109 I C 1.011 177.125 176.117 -0.005 0.000 1.220 109 I CA 1.117 62.422 61.300 0.009 0.000 1.441 109 I CB 0.158 38.147 38.000 -0.020 0.000 1.336 109 I HN 0.791 nan 8.210 nan 0.000 0.565 110 G N 7.216 116.021 108.800 0.008 0.000 2.744 110 G HA2 0.462 4.422 3.960 0.001 0.000 0.309 110 G HA3 0.462 4.422 3.960 0.001 0.000 0.309 110 G C -0.626 174.270 174.900 -0.007 0.000 1.328 110 G CA -0.293 44.811 45.100 0.008 0.000 1.034 110 G HN 0.569 nan 8.290 nan 0.000 0.518 111 Q N 1.359 121.133 119.800 -0.043 0.000 2.435 111 Q HA 0.138 4.478 4.340 0.001 0.000 0.282 111 Q C 0.753 176.733 176.000 -0.033 0.000 1.020 111 Q CA -0.523 55.236 55.803 -0.072 0.000 0.820 111 Q CB 2.180 30.758 28.738 -0.268 0.000 1.436 111 Q HN 0.752 nan 8.270 nan 0.000 0.395 112 E N -0.210 119.995 120.200 0.007 0.000 2.150 112 E HA -0.118 4.233 4.350 0.001 0.000 0.193 112 E C 0.936 177.563 176.600 0.046 0.000 0.985 112 E CA 2.194 58.617 56.400 0.038 0.000 0.814 112 E CB 0.031 29.764 29.700 0.055 0.000 0.752 112 E HN 0.664 nan 8.360 nan 0.000 0.466 113 T N -3.075 111.504 114.554 0.041 0.000 3.043 113 T HA 0.229 4.580 4.350 0.001 0.000 0.272 113 T C 0.236 174.966 174.700 0.050 0.000 0.990 113 T CA -0.684 61.459 62.100 0.071 0.000 0.897 113 T CB -0.060 68.900 68.868 0.154 0.000 1.111 113 T HN -0.037 nan 8.240 nan 0.000 0.529 114 N N 1.193 119.861 118.700 -0.053 0.000 2.269 114 N HA 0.554 5.295 4.740 0.001 0.000 0.304 114 N C 0.398 175.826 175.510 -0.136 0.000 1.072 114 N CA 0.223 53.205 53.050 -0.113 0.000 0.802 114 N CB 2.211 40.493 38.487 -0.340 0.000 1.348 114 N HN 0.480 nan 8.380 nan 0.000 0.484 115 G N 2.471 111.173 108.800 -0.164 0.000 2.593 115 G HA2 -0.231 3.730 3.960 0.001 0.000 0.237 115 G HA3 -0.231 3.730 3.960 0.001 0.000 0.237 115 G C -1.942 172.938 174.900 -0.033 0.000 1.312 115 G CA -0.566 44.439 45.100 -0.159 0.000 0.896 115 G HN 0.396 nan 8.290 nan 0.000 0.574 116 P HA -0.106 nan 4.420 nan 0.000 0.216 116 P C 2.046 179.496 177.300 0.250 0.000 1.157 116 P CA 2.881 66.073 63.100 0.153 0.000 0.880 116 P CB -0.439 31.305 31.700 0.073 0.000 0.791 117 G N -0.840 108.046 108.800 0.145 0.000 2.422 117 G HA2 -0.176 3.785 3.960 0.001 0.000 0.218 117 G HA3 -0.176 3.785 3.960 0.001 0.000 0.218 117 G C 1.760 176.755 174.900 0.159 0.000 1.140 117 G CA 0.873 46.064 45.100 0.153 0.000 0.775 117 G HN 0.392 nan 8.290 nan 0.000 0.545 118 G N 0.624 109.509 108.800 0.142 0.000 2.421 118 G HA2 -0.046 3.914 3.960 0.001 0.000 0.217 118 G HA3 -0.046 3.914 3.960 0.001 0.000 0.217 118 G C 1.676 176.713 174.900 0.227 0.000 1.143 118 G CA 0.915 46.115 45.100 0.166 0.000 0.784 118 G HN 0.396 nan 8.290 nan 0.000 0.541 119 L N -0.294 121.125 121.223 0.326 0.000 1.976 119 L HA 0.158 4.498 4.340 0.001 0.000 0.209 119 L C 2.463 179.329 176.870 -0.008 0.000 1.071 119 L CA 1.712 56.681 54.840 0.215 0.000 0.746 119 L CB -0.711 41.518 42.059 0.284 0.000 0.890 119 L HN 0.170 nan 8.230 nan 0.000 0.432 120 F N 0.120 120.103 119.950 0.056 0.000 2.234 120 F HA -0.131 4.396 4.527 0.001 0.000 0.299 120 F C 2.549 178.309 175.800 -0.067 0.000 1.087 120 F CA 1.538 59.533 58.000 -0.008 0.000 1.340 120 F CB -0.464 38.544 39.000 0.013 0.000 1.031 120 F HN 0.117 nan 8.300 nan 0.000 0.500 121 K N 0.299 120.750 120.400 0.085 0.000 2.057 121 K HA -0.122 4.198 4.320 0.001 0.000 0.207 121 K C 2.430 179.025 176.600 -0.008 0.000 1.049 121 K CA 1.293 57.586 56.287 0.010 0.000 0.931 121 K CB -0.734 31.774 32.500 0.014 0.000 0.714 121 K HN 0.339 nan 8.250 nan 0.000 0.440 122 G N 1.583 110.377 108.800 -0.010 0.000 2.480 122 G HA2 -0.255 3.706 3.960 0.001 0.000 0.216 122 G HA3 -0.255 3.706 3.960 0.001 0.000 0.216 122 G C 1.354 176.239 174.900 -0.024 0.000 1.200 122 G CA 0.686 45.767 45.100 -0.031 0.000 0.782 122 G HN 0.160 nan 8.290 nan 0.000 0.554 123 L N 0.636 121.824 121.223 -0.059 0.000 2.089 123 L HA -0.087 4.253 4.340 0.001 0.000 0.213 123 L C 2.978 179.891 176.870 0.072 0.000 1.079 123 L CA 1.480 56.311 54.840 -0.015 0.000 0.758 123 L CB -0.752 41.204 42.059 -0.171 0.000 0.891 123 L HN 0.224 nan 8.230 nan 0.000 0.433 124 R N -1.745 118.791 120.500 0.060 0.000 2.073 124 R HA -0.068 4.273 4.340 0.001 0.000 0.229 124 R C 2.097 178.475 176.300 0.129 0.000 1.120 124 R CA 1.675 57.839 56.100 0.106 0.000 0.967 124 R CB -0.540 29.783 30.300 0.037 0.000 0.862 124 R HN 0.354 nan 8.270 nan 0.000 0.436 125 T N 1.752 116.361 114.554 0.092 0.000 2.809 125 T HA -0.040 4.311 4.350 0.001 0.000 0.260 125 T C 1.936 176.736 174.700 0.165 0.000 1.039 125 T CA 1.190 63.369 62.100 0.132 0.000 1.141 125 T CB -0.117 68.741 68.868 -0.016 0.000 0.869 125 T HN 0.349 nan 8.240 nan 0.000 0.437 126 I N 1.029 121.654 120.570 0.092 0.000 2.394 126 I HA 0.020 4.191 4.170 0.001 0.000 0.251 126 I C -1.143 175.029 176.117 0.091 0.000 1.136 126 I CA 0.896 62.248 61.300 0.086 0.000 1.425 126 I CB -1.403 36.623 38.000 0.044 0.000 1.079 126 I HN 0.094 nan 8.210 nan 0.000 0.425 127 P HA -0.148 nan 4.420 nan 0.000 0.216 127 P C 2.111 179.456 177.300 0.075 0.000 1.153 127 P CA 1.636 64.775 63.100 0.066 0.000 0.858 127 P CB -0.112 31.635 31.700 0.079 0.000 0.789 128 V N -0.343 119.641 119.914 0.116 0.000 2.427 128 V HA -0.196 3.925 4.120 0.001 0.000 0.248 128 V C 2.366 178.521 176.094 0.101 0.000 1.051 128 V CA 1.416 63.760 62.300 0.073 0.000 1.048 128 V CB -1.090 30.760 31.823 0.045 0.000 0.666 128 V HN 0.055 nan 8.190 nan 0.000 0.456 129 I N -0.154 120.541 120.570 0.207 0.000 2.315 129 I HA -0.195 3.976 4.170 0.001 0.000 0.248 129 I C 2.381 178.557 176.117 0.098 0.000 1.117 129 I CA 1.699 63.112 61.300 0.188 0.000 1.404 129 I CB -0.859 37.253 38.000 0.187 0.000 1.071 129 I HN 0.306 nan 8.210 nan 0.000 0.419 130 L N 0.171 121.439 121.223 0.076 0.000 2.083 130 L HA -0.231 4.110 4.340 0.001 0.000 0.209 130 L C 2.289 179.175 176.870 0.026 0.000 1.083 130 L CA 1.210 56.078 54.840 0.046 0.000 0.752 130 L CB -0.607 41.472 42.059 0.033 0.000 0.899 130 L HN 0.223 nan 8.230 nan 0.000 0.433 131 D N 0.432 120.844 120.400 0.019 0.000 2.084 131 D HA -0.154 4.487 4.640 0.001 0.000 0.194 131 D C 2.306 178.601 176.300 -0.010 0.000 0.990 131 D CA 1.313 55.312 54.000 -0.003 0.000 0.826 131 D CB -0.051 40.739 40.800 -0.016 0.000 0.971 131 D HN 0.265 nan 8.370 nan 0.000 0.453 132 I N 0.816 121.383 120.570 -0.005 0.000 2.194 132 I HA -0.274 3.896 4.170 0.001 0.000 0.246 132 I C 2.409 178.528 176.117 0.003 0.000 1.093 132 I CA 0.813 62.110 61.300 -0.005 0.000 1.355 132 I CB -0.149 37.864 38.000 0.022 0.000 1.046 132 I HN -0.006 nan 8.210 nan 0.000 0.413 133 I N 0.110 120.690 120.570 0.016 0.000 2.394 133 I HA -0.277 3.894 4.170 0.001 0.000 0.251 133 I C 2.748 178.859 176.117 -0.010 0.000 1.136 133 I CA 1.037 62.341 61.300 0.006 0.000 1.425 133 I CB -0.365 37.646 38.000 0.018 0.000 1.079 133 I HN 0.180 nan 8.210 nan 0.000 0.425 134 R N 1.047 121.541 120.500 -0.010 0.000 2.083 134 R HA -0.148 4.193 4.340 0.001 0.000 0.237 134 R C 0.613 176.897 176.300 -0.027 0.000 1.137 134 R CA 1.410 57.499 56.100 -0.018 0.000 0.951 134 R CB -0.163 30.128 30.300 -0.015 0.000 0.851 134 R HN 0.242 nan 8.270 nan 0.000 0.434 138 E N -0.260 119.907 120.200 -0.055 0.000 2.763 138 E HA 0.026 4.377 4.350 0.001 0.000 0.282 138 E C 0.560 177.124 176.600 -0.060 0.000 1.124 138 E CA -0.157 56.212 56.400 -0.052 0.000 2.045 138 E CB -0.124 29.548 29.700 -0.047 0.000 2.468 138 E HN 0.047 nan 8.360 nan 0.000 1.058 139 L N 1.671 122.854 121.223 -0.067 0.000 2.217 139 L HA 0.118 4.459 4.340 0.001 0.000 0.211 139 L C 1.295 178.113 176.870 -0.086 0.000 1.107 139 L CA 1.337 56.128 54.840 -0.081 0.000 0.783 139 L CB -0.644 41.358 42.059 -0.095 0.000 0.919 139 L HN 0.596 nan 8.230 nan 0.000 0.442 140 C N -3.796 115.455 119.300 -0.081 0.000 3.166 140 C HA 0.304 4.765 4.460 0.001 0.000 0.277 140 C C -1.245 173.690 174.990 -0.093 0.000 0.984 140 C CA -1.058 57.909 59.018 -0.086 0.000 1.142 140 C CB 0.065 27.751 27.740 -0.089 0.000 1.721 140 C HN 0.077 nan 8.230 nan 0.000 0.628 141 P HA -0.040 nan 4.420 nan 0.000 0.233 141 P C 1.026 178.244 177.300 -0.136 0.000 1.167 141 P CA 1.563 64.601 63.100 -0.102 0.000 0.770 141 P CB 0.209 31.858 31.700 -0.084 0.000 0.837 142 D N -0.565 119.754 120.400 -0.136 0.000 2.348 142 D HA 0.062 4.702 4.640 0.001 0.000 0.211 142 D C 0.809 176.968 176.300 -0.234 0.000 0.998 142 D CA -0.083 53.818 54.000 -0.165 0.000 0.873 142 D CB -0.104 40.628 40.800 -0.114 0.000 0.925 142 D HN 0.023 nan 8.370 nan 0.000 0.524 143 A N 0.391 123.087 122.820 -0.206 0.000 2.346 143 A HA 0.338 4.659 4.320 0.001 0.000 0.252 143 A C -0.880 176.547 177.584 -0.260 0.000 1.089 143 A CA -0.411 51.504 52.037 -0.203 0.000 0.797 143 A CB 0.183 19.118 19.000 -0.109 0.000 1.047 143 A HN 0.255 nan 8.150 nan 0.000 0.494 144 W N 0.424 121.595 121.300 -0.215 0.000 2.417 144 W HA 0.494 5.154 4.660 0.000 0.000 0.317 144 W C -0.008 176.556 176.519 0.075 0.000 1.121 144 W CA -0.189 57.130 57.345 -0.044 0.000 1.208 144 W CB 1.271 30.750 29.460 0.032 0.000 1.253 144 W HN 0.464 nan 8.180 nan 0.000 0.533 145 L N 5.585 126.998 121.223 0.317 0.000 2.260 145 L HA 0.372 4.713 4.340 0.001 0.000 0.289 145 L C -0.976 176.102 176.870 0.347 0.000 1.057 145 L CA -0.789 54.214 54.840 0.272 0.000 0.811 145 L CB 0.439 42.598 42.059 0.167 0.000 1.184 145 L HN 0.288 nan 8.230 nan 0.000 0.429 146 I N 4.699 125.473 120.570 0.340 0.000 2.337 146 I HA 0.223 4.394 4.170 0.001 0.000 0.285 146 I C 0.081 176.401 176.117 0.339 0.000 1.041 146 I CA -0.270 61.227 61.300 0.329 0.000 1.199 146 I CB 1.001 39.203 38.000 0.338 0.000 1.370 146 I HN 0.461 nan 8.210 nan 0.000 0.470 147 N N 4.619 123.495 118.700 0.294 0.000 2.426 147 N HA 0.306 5.046 4.740 0.001 0.000 0.257 147 N C 0.283 176.019 175.510 0.376 0.000 1.002 147 N CA -0.129 53.085 53.050 0.274 0.000 0.942 147 N CB 0.616 39.197 38.487 0.157 0.000 1.112 147 N HN 0.244 nan 8.380 nan 0.000 0.499 148 F N 0.479 120.443 119.950 0.024 0.000 2.387 148 F HA 0.175 4.703 4.527 0.001 0.000 0.294 148 F C 1.217 176.914 175.800 -0.173 0.000 1.093 148 F CA 0.015 58.005 58.000 -0.016 0.000 1.420 148 F CB -0.842 38.044 39.000 -0.191 0.000 1.086 148 F HN 0.285 nan 8.300 nan 0.000 0.531 149 T N 2.651 117.194 114.554 -0.019 0.000 2.902 149 T HA 0.014 4.365 4.350 0.001 0.000 0.301 149 T C 0.650 175.248 174.700 -0.171 0.000 1.012 149 T CA -0.079 61.875 62.100 -0.243 0.000 1.151 149 T CB 0.255 68.763 68.868 -0.601 0.000 0.946 149 T HN -0.021 nan 8.240 nan 0.000 0.542 150 N N 2.853 121.455 118.700 -0.164 0.000 2.374 150 N HA 0.244 4.984 4.740 0.001 0.000 0.284 150 N C -2.452 173.006 175.510 -0.088 0.000 1.280 150 N CA -1.639 51.350 53.050 -0.102 0.000 0.963 150 N CB -0.225 38.235 38.487 -0.045 0.000 1.141 150 N HN 0.295 nan 8.380 nan 0.000 0.565 151 P HA -0.170 nan 4.420 nan 0.000 0.200 151 P C -0.164 177.078 177.300 -0.098 0.000 0.924 151 P CA 0.423 63.480 63.100 -0.072 0.000 1.021 151 P CB -0.664 31.027 31.700 -0.013 0.000 1.047 152 A N 4.055 126.789 122.820 -0.144 0.000 1.978 152 A HA 0.004 4.325 4.320 0.001 0.000 0.220 152 A C 1.493 179.026 177.584 -0.085 0.000 1.170 152 A CA 1.477 53.454 52.037 -0.100 0.000 0.636 152 A CB -0.866 18.078 19.000 -0.093 0.000 0.810 152 A HN 0.532 nan 8.150 nan 0.000 0.448 156 T N 0.542 115.103 114.554 0.010 0.000 2.699 156 T HA -0.275 4.076 4.350 0.001 0.000 0.268 156 T C 1.584 176.290 174.700 0.010 0.000 1.036 156 T CA 2.533 64.645 62.100 0.020 0.000 1.147 156 T CB -0.050 68.827 68.868 0.014 0.000 0.862 156 T HN 0.567 nan 8.240 nan 0.000 0.446 157 E N 1.205 121.403 120.200 -0.002 0.000 2.058 157 E HA -0.077 4.273 4.350 0.001 0.000 0.194 157 E C 2.288 178.880 176.600 -0.013 0.000 0.997 157 E CA 1.371 57.761 56.400 -0.017 0.000 0.801 157 E CB -0.539 29.149 29.700 -0.020 0.000 0.746 157 E HN 0.446 nan 8.360 nan 0.000 0.450 158 A N -0.049 122.804 122.820 0.056 0.000 1.908 158 A HA -0.157 4.163 4.320 0.001 0.000 0.218 158 A C 2.477 180.135 177.584 0.122 0.000 1.181 158 A CA 1.685 53.829 52.037 0.178 0.000 0.627 158 A CB -0.735 18.372 19.000 0.178 0.000 0.818 158 A HN 0.218 nan 8.150 nan 0.000 0.445 159 V N -0.027 119.925 119.914 0.063 0.000 2.427 159 V HA -0.222 3.898 4.120 0.001 0.000 0.248 159 V C 2.523 178.615 176.094 -0.004 0.000 1.051 159 V CA 1.792 64.118 62.300 0.043 0.000 1.048 159 V CB -0.687 31.164 31.823 0.046 0.000 0.666 159 V HN 0.559 nan 8.190 nan 0.000 0.456 160 L N -0.703 120.500 121.223 -0.033 0.000 2.056 160 L HA -0.117 4.223 4.340 0.001 0.000 0.207 160 L C 2.764 179.546 176.870 -0.146 0.000 1.078 160 L CA 1.637 56.435 54.840 -0.070 0.000 0.749 160 L CB -0.478 41.545 42.059 -0.059 0.000 0.901 160 L HN 0.214 nan 8.230 nan 0.000 0.433 161 R N -1.324 119.016 120.500 -0.267 0.000 2.112 161 R HA -0.028 4.312 4.340 0.001 0.000 0.216 161 R C 1.069 176.983 176.300 -0.643 0.000 1.080 161 R CA 0.866 56.636 56.100 -0.549 0.000 0.996 161 R CB 0.102 29.876 30.300 -0.877 0.000 0.902 161 R HN 0.285 nan 8.270 nan 0.000 0.449 162 Y N -0.476 119.811 120.300 -0.022 0.000 2.636 162 Y HA 0.343 4.893 4.550 0.001 0.000 0.260 162 Y C 0.127 176.014 175.900 -0.022 0.000 1.177 162 Y CA -0.120 57.966 58.100 -0.024 0.000 1.209 162 Y CB 1.084 39.528 38.460 -0.026 0.000 1.166 162 Y HN -0.198 nan 8.280 nan 0.000 0.531 163 T N -0.895 113.688 114.554 0.048 0.000 2.868 163 T HA 0.287 4.638 4.350 0.001 0.000 0.306 163 T C 0.285 174.977 174.700 -0.013 0.000 1.224 163 T CA -0.808 61.309 62.100 0.028 0.000 1.012 163 T CB 1.835 70.725 68.868 0.037 0.000 1.221 163 T HN -0.038 nan 8.240 nan 0.000 0.499 164 K N 0.629 121.017 120.400 -0.021 0.000 2.397 164 K HA 0.184 4.504 4.320 0.001 0.000 0.202 164 K C 0.339 176.905 176.600 -0.058 0.000 1.022 164 K CA -0.080 56.184 56.287 -0.040 0.000 1.141 164 K CB 0.463 32.940 32.500 -0.038 0.000 0.857 164 K HN 0.216 nan 8.250 nan 0.000 0.514 165 Q N 1.823 121.591 119.800 -0.053 0.000 2.431 165 Q HA -0.001 4.340 4.340 0.001 0.000 0.234 165 Q C -0.034 175.914 176.000 -0.086 0.000 1.203 165 Q CA 0.431 56.189 55.803 -0.076 0.000 0.902 165 Q CB 0.307 29.018 28.738 -0.045 0.000 1.455 165 Q HN 0.208 nan 8.270 nan 0.000 0.515 166 E N 2.544 122.670 120.200 -0.123 0.000 2.216 166 E HA -0.073 4.278 4.350 0.001 0.000 0.192 166 E C -0.124 176.366 176.600 -0.183 0.000 0.988 166 E CA 0.549 56.878 56.400 -0.119 0.000 0.834 166 E CB 0.243 29.875 29.700 -0.112 0.000 0.772 166 E HN 0.434 nan 8.360 nan 0.000 0.479 167 K N 2.049 122.224 120.400 -0.376 0.000 2.121 167 K HA 0.131 4.452 4.320 0.001 0.000 0.235 167 K C -0.919 175.571 176.600 -0.183 0.000 1.200 167 K CA -0.011 55.812 56.287 -0.772 0.000 1.115 167 K CB 0.178 31.860 32.500 -1.363 0.000 1.474 167 K HN -0.085 nan 8.250 nan 0.000 0.295 168 V N 0.551 120.544 119.914 0.131 0.000 2.735 168 V HA 0.534 4.655 4.120 0.001 0.000 0.310 168 V C -0.166 176.133 176.094 0.342 0.000 1.061 168 V CA -1.124 61.322 62.300 0.244 0.000 0.913 168 V CB 1.997 33.895 31.823 0.125 0.000 1.005 168 V HN 0.090 nan 8.190 nan 0.000 0.428 169 V N 1.361 121.454 119.914 0.299 0.000 2.925 169 V HA 0.887 5.007 4.120 0.001 0.000 0.311 169 V C 0.378 176.556 176.094 0.139 0.000 1.104 169 V CA -0.369 62.045 62.300 0.190 0.000 0.954 169 V CB 2.182 34.090 31.823 0.141 0.000 1.022 169 V HN 1.125 nan 8.190 nan 0.000 0.427 170 G N 3.109 111.955 108.800 0.077 0.000 2.416 170 G HA2 0.651 4.612 3.960 0.001 0.000 0.324 170 G HA3 0.651 4.612 3.960 0.001 0.000 0.324 170 G C -1.241 173.655 174.900 -0.006 0.000 1.194 170 G CA -0.484 44.646 45.100 0.050 0.000 0.922 170 G HN 0.354 nan 8.290 nan 0.000 0.467 171 L N 0.969 122.183 121.223 -0.014 0.000 2.343 171 L HA 0.616 4.956 4.340 0.001 0.000 0.275 171 L C 0.045 176.801 176.870 -0.190 0.000 1.056 171 L CA -0.904 53.846 54.840 -0.151 0.000 0.804 171 L CB 1.355 43.240 42.059 -0.289 0.000 1.203 171 L HN 0.547 nan 8.230 nan 0.000 0.440 172 C N 3.042 122.127 119.300 -0.359 0.000 2.712 172 C HA 0.445 4.905 4.460 0.001 0.000 0.308 172 C C 1.214 175.824 174.990 -0.633 0.000 1.201 172 C CA -0.715 58.038 59.018 -0.443 0.000 1.554 172 C CB 1.514 29.100 27.740 -0.258 0.000 2.117 172 C HN 0.950 nan 8.230 nan 0.000 0.480 173 N N 2.669 120.942 118.700 -0.712 0.000 2.299 173 N HA -0.050 4.690 4.740 0.001 0.000 0.187 173 N C 1.077 176.449 175.510 -0.230 0.000 1.099 173 N CA 0.698 53.445 53.050 -0.505 0.000 0.867 173 N CB -0.125 38.066 38.487 -0.494 0.000 0.974 173 N HN 0.495 nan 8.380 nan 0.000 0.477 174 V N 1.995 121.825 119.914 -0.141 0.000 2.295 174 V HA -0.113 4.007 4.120 0.001 0.000 0.246 174 V C -0.358 175.651 176.094 -0.142 0.000 1.049 174 V CA 1.866 64.136 62.300 -0.051 0.000 1.024 174 V CB -1.489 30.375 31.823 0.069 0.000 0.648 174 V HN 0.281 nan 8.190 nan 0.000 0.447 175 P HA -0.143 nan 4.420 nan 0.000 0.215 175 P C 1.839 179.011 177.300 -0.214 0.000 1.153 175 P CA 1.282 63.982 63.100 -0.667 0.000 0.853 175 P CB -0.034 30.927 31.700 -1.233 0.000 0.788 176 I N -0.663 119.794 120.570 -0.188 0.000 2.252 176 I HA -0.021 4.149 4.170 0.001 0.000 0.245 176 I C 1.433 177.489 176.117 -0.101 0.000 1.102 176 I CA 0.943 62.182 61.300 -0.102 0.000 1.385 176 I CB -1.243 36.676 38.000 -0.134 0.000 1.064 176 I HN -0.151 nan 8.210 nan 0.000 0.414 182 V N 0.347 120.275 119.914 0.024 0.000 2.427 182 V HA 0.255 4.375 4.120 0.001 0.000 0.248 182 V C 2.790 178.886 176.094 0.003 0.000 1.051 182 V CA 2.524 64.832 62.300 0.014 0.000 1.048 182 V CB -1.015 30.810 31.823 0.004 0.000 0.666 182 V HN 0.753 nan 8.190 nan 0.000 0.456 183 A N 0.269 123.091 122.820 0.002 0.000 1.877 183 A HA -0.153 4.168 4.320 0.001 0.000 0.216 183 A C 2.354 179.936 177.584 -0.002 0.000 1.186 183 A CA 2.044 54.078 52.037 -0.004 0.000 0.620 183 A CB -0.697 18.299 19.000 -0.006 0.000 0.822 183 A HN 0.445 nan 8.150 nan 0.000 0.443 184 K N -0.125 120.275 120.400 0.000 0.000 2.057 184 K HA -0.053 4.268 4.320 0.001 0.000 0.207 184 K C 1.943 178.546 176.600 0.005 0.000 1.049 184 K CA 1.283 57.572 56.287 0.002 0.000 0.931 184 K CB -0.632 31.869 32.500 0.001 0.000 0.714 184 K HN 0.531 nan 8.250 nan 0.000 0.440 185 L N 0.401 121.629 121.223 0.008 0.000 2.012 185 L HA -0.218 4.123 4.340 0.001 0.000 0.210 185 L C 2.097 178.972 176.870 0.008 0.000 1.073 185 L CA 0.849 55.696 54.840 0.012 0.000 0.748 185 L CB -0.188 41.880 42.059 0.016 0.000 0.891 185 L HN 0.130 nan 8.230 nan 0.000 0.431 186 L N -0.071 121.153 121.223 0.003 0.000 2.395 186 L HA 0.094 4.435 4.340 0.001 0.000 0.218 186 L C 1.394 178.264 176.870 -0.000 0.000 1.130 186 L CA 1.243 56.083 54.840 -0.000 0.000 0.826 186 L CB -1.378 40.677 42.059 -0.007 0.000 0.941 186 L HN 0.416 nan 8.230 nan 0.000 0.451 187 G N -0.077 108.724 108.800 0.001 0.000 2.324 187 G HA2 -0.171 3.790 3.960 0.001 0.000 0.292 187 G HA3 -0.171 3.790 3.960 0.001 0.000 0.292 187 G C -0.173 174.726 174.900 -0.002 0.000 1.079 187 G CA 0.351 45.452 45.100 0.001 0.000 1.026 187 G HN 0.165 nan 8.290 nan 0.000 0.506 188 V N -0.276 119.635 119.914 -0.004 0.000 3.114 188 V HA 0.476 4.597 4.120 0.001 0.000 0.308 188 V C -0.390 175.699 176.094 -0.009 0.000 1.168 188 V CA -1.181 61.114 62.300 -0.008 0.000 1.015 188 V CB 2.113 33.927 31.823 -0.014 0.000 1.050 188 V HN 0.287 nan 8.190 nan 0.000 0.433 189 D N 1.713 122.107 120.400 -0.010 0.000 2.414 189 D HA 0.361 5.001 4.640 0.001 0.000 0.242 189 D C 0.948 177.237 176.300 -0.018 0.000 1.129 189 D CA 0.550 54.544 54.000 -0.009 0.000 0.885 189 D CB 1.774 42.571 40.800 -0.005 0.000 1.198 189 D HN 0.695 nan 8.370 nan 0.000 0.437 190 A N 2.844 125.658 122.820 -0.011 0.000 2.070 190 A HA -0.188 4.133 4.320 0.001 0.000 0.220 190 A C 1.621 179.189 177.584 -0.028 0.000 1.159 190 A CA 1.413 53.442 52.037 -0.012 0.000 0.656 190 A CB -0.290 18.712 19.000 0.003 0.000 0.800 190 A HN 0.684 nan 8.150 nan 0.000 0.453 191 D N -0.288 120.097 120.400 -0.026 0.000 2.312 191 D HA -0.153 4.487 4.640 0.001 0.000 0.211 191 D C 1.583 177.805 176.300 -0.131 0.000 0.964 191 D CA 0.729 54.708 54.000 -0.036 0.000 0.877 191 D CB -0.429 40.371 40.800 -0.000 0.000 0.924 191 D HN 0.507 nan 8.370 nan 0.000 0.515 192 R N -0.028 120.396 120.500 -0.126 0.000 2.310 192 R HA 0.192 4.532 4.340 0.001 0.000 0.202 192 R C 0.044 176.206 176.300 -0.230 0.000 0.933 192 R CA -0.018 55.985 56.100 -0.162 0.000 1.054 192 R CB 0.826 31.079 30.300 -0.079 0.000 0.985 192 R HN 0.040 nan 8.270 nan 0.000 0.489 193 V N 1.327 121.103 119.914 -0.231 0.000 2.370 193 V HA 0.221 4.341 4.120 0.001 0.000 0.283 193 V C -0.457 175.520 176.094 -0.194 0.000 1.023 193 V CA -0.719 61.486 62.300 -0.158 0.000 0.857 193 V CB 1.246 33.038 31.823 -0.051 0.000 0.985 193 V HN 0.215 nan 8.190 nan 0.000 0.443 194 H N 4.258 123.389 119.070 0.102 0.000 2.569 194 H HA 0.749 5.306 4.556 0.001 0.000 0.357 194 H C -0.785 174.607 175.328 0.107 0.000 1.153 194 H CA -0.782 55.338 56.048 0.119 0.000 1.193 194 H CB 2.344 32.180 29.762 0.124 0.000 1.602 194 H HN 0.495 nan 8.280 nan 0.000 0.523 195 I N 1.849 122.479 120.570 0.101 0.000 2.569 195 I HA 0.110 4.280 4.170 0.001 0.000 0.290 195 I C -0.984 174.981 176.117 -0.253 0.000 1.088 195 I CA -0.885 60.266 61.300 -0.248 0.000 1.047 195 I CB 2.082 39.620 38.000 -0.770 0.000 1.237 195 I HN 0.544 nan 8.210 nan 0.000 0.421 196 D N 6.748 127.102 120.400 -0.076 0.000 2.352 196 D HA 0.268 4.909 4.640 0.001 0.000 0.245 196 D C -0.629 175.630 176.300 -0.068 0.000 1.224 196 D CA 0.386 54.410 54.000 0.040 0.000 0.879 196 D CB 0.346 41.276 40.800 0.217 0.000 1.057 196 D HN 0.110 nan 8.370 nan 0.000 0.491 197 F N 1.344 121.364 119.950 0.116 0.000 2.394 197 F HA 0.567 5.095 4.527 0.001 0.000 0.340 197 F C 0.794 176.659 175.800 0.108 0.000 1.105 197 F CA -0.573 57.489 58.000 0.104 0.000 1.124 197 F CB 1.339 40.384 39.000 0.075 0.000 1.145 197 F HN 0.244 nan 8.300 nan 0.000 0.505 198 A N 1.998 125.015 122.820 0.328 0.000 2.589 198 A HA 0.857 5.178 4.320 0.001 0.000 0.296 198 A C -0.287 177.470 177.584 0.289 0.000 1.062 198 A CA 0.060 52.246 52.037 0.248 0.000 0.686 198 A CB 1.400 20.510 19.000 0.183 0.000 1.282 198 A HN 1.283 nan 8.150 nan 0.000 0.404 199 G N -0.273 108.659 108.800 0.220 0.000 2.384 199 G HA2 0.405 4.366 3.960 0.001 0.000 0.150 199 G HA3 0.405 4.366 3.960 0.001 0.000 0.150 199 G C -1.307 173.669 174.900 0.127 0.000 1.269 199 G CA -0.109 45.129 45.100 0.230 0.000 1.094 199 G HN 1.189 nan 8.290 nan 0.000 0.467 200 L N 0.357 121.635 121.223 0.091 0.000 2.256 200 L HA 0.514 4.855 4.340 0.001 0.000 0.261 200 L C 0.556 177.409 176.870 -0.029 0.000 1.022 200 L CA -1.031 53.825 54.840 0.026 0.000 0.828 200 L CB 1.762 43.836 42.059 0.024 0.000 1.374 200 L HN 0.672 nan 8.230 nan 0.000 0.436 201 N N 0.409 119.058 118.700 -0.085 0.000 2.412 201 N HA 0.000 4.741 4.740 0.001 0.000 0.258 201 N C -0.288 175.100 175.510 -0.203 0.000 1.236 201 N CA 0.373 53.308 53.050 -0.191 0.000 0.882 201 N CB 0.096 38.425 38.487 -0.263 0.000 1.066 201 N HN 0.593 nan 8.380 nan 0.000 0.465 205 F N 3.441 123.577 119.950 0.311 0.000 2.470 205 F HA 0.763 5.291 4.527 0.002 0.000 0.329 205 F C 1.076 176.965 175.800 0.148 0.000 1.072 205 F CA -0.133 57.986 58.000 0.197 0.000 0.989 205 F CB 2.076 41.106 39.000 0.049 0.000 1.193 205 F HN 0.617 nan 8.300 nan 0.000 0.481 206 G N 2.916 111.847 108.800 0.220 0.000 2.546 206 G HA2 0.389 4.350 3.960 0.001 0.000 0.320 206 G HA3 0.389 4.350 3.960 0.001 0.000 0.320 206 G C 0.590 175.427 174.900 -0.105 0.000 0.984 206 G CA -0.333 44.744 45.100 -0.038 0.000 1.183 206 G HN 0.730 nan 8.290 nan 0.000 0.443 207 L N 1.544 122.686 121.223 -0.134 0.000 2.156 207 L HA 0.129 4.470 4.340 0.001 0.000 0.208 207 L C 0.575 177.009 176.870 -0.727 0.000 1.095 207 L CA 0.816 55.449 54.840 -0.344 0.000 0.770 207 L CB -0.213 41.713 42.059 -0.222 0.000 0.914 207 L HN 0.485 nan 8.230 nan 0.000 0.439 208 H N -1.560 117.387 119.070 -0.205 0.000 3.029 208 H HA 0.417 4.973 4.556 0.001 0.000 0.358 208 H C -1.227 173.776 175.328 -0.541 0.000 1.129 208 H CA -0.511 55.306 56.048 -0.384 0.000 1.230 208 H CB 2.260 31.783 29.762 -0.399 0.000 1.827 208 H HN -0.320 nan 8.280 nan 0.000 0.530 209 V N 3.591 123.209 119.914 -0.493 0.000 2.555 209 V HA 0.377 4.498 4.120 0.001 0.000 0.302 209 V C -1.008 174.761 176.094 -0.542 0.000 1.038 209 V CA -0.737 61.326 62.300 -0.395 0.000 0.887 209 V CB 1.434 33.130 31.823 -0.212 0.000 0.991 209 V HN 0.560 nan 8.190 nan 0.000 0.434 210 Y N 3.710 124.011 120.300 0.002 0.000 2.462 210 Y HA 0.655 5.205 4.550 0.001 0.000 0.346 210 Y C -0.268 175.612 175.900 -0.034 0.000 0.976 210 Y CA -0.846 57.256 58.100 0.003 0.000 1.044 210 Y CB 1.957 40.440 38.460 0.038 0.000 1.230 210 Y HN 0.412 nan 8.280 nan 0.000 0.455 211 L N 4.201 125.492 121.223 0.112 0.000 2.319 211 L HA 0.392 4.732 4.340 0.001 0.000 0.281 211 L C -0.721 176.167 176.870 0.031 0.000 1.005 211 L CA -0.305 54.552 54.840 0.029 0.000 0.828 211 L CB 1.092 43.158 42.059 0.011 0.000 1.227 211 L HN 0.870 nan 8.230 nan 0.000 0.415 212 D N 4.153 124.546 120.400 -0.012 0.000 2.811 212 D HA -0.213 4.428 4.640 0.001 0.000 0.231 212 D C 1.083 177.399 176.300 0.028 0.000 1.157 212 D CA 1.229 55.226 54.000 -0.005 0.000 0.716 212 D CB -0.892 39.908 40.800 -0.000 0.000 1.077 212 D HN 1.142 nan 8.370 nan 0.000 0.428 213 G N -2.025 106.813 108.800 0.063 0.000 2.184 213 G HA2 -0.336 3.624 3.960 0.001 0.000 0.264 213 G HA3 -0.336 3.624 3.960 0.001 0.000 0.264 213 G C 0.384 175.327 174.900 0.073 0.000 0.975 213 G CA 0.407 45.532 45.100 0.042 0.000 0.642 213 G HN 0.615 nan 8.290 nan 0.000 0.536 214 V N 0.838 120.832 119.914 0.134 0.000 2.427 214 V HA 0.510 4.631 4.120 0.001 0.000 0.286 214 V C 0.634 176.864 176.094 0.226 0.000 1.034 214 V CA -0.630 61.760 62.300 0.151 0.000 0.893 214 V CB 1.771 33.637 31.823 0.072 0.000 0.982 214 V HN 0.446 nan 8.190 nan 0.000 0.452 215 E N 3.227 123.580 120.200 0.255 0.000 2.417 215 E HA 0.179 4.530 4.350 0.001 0.000 0.261 215 E C 0.324 176.915 176.600 -0.016 0.000 1.000 215 E CA -0.032 56.408 56.400 0.067 0.000 0.919 215 E CB 0.937 30.649 29.700 0.020 0.000 0.955 215 E HN 0.698 nan 8.360 nan 0.000 0.455 216 V N 1.240 121.105 119.914 -0.081 0.000 3.111 216 V HA 0.147 4.268 4.120 0.001 0.000 0.343 216 V C 1.019 177.059 176.094 -0.089 0.000 1.417 216 V CA 0.057 62.321 62.300 -0.059 0.000 1.142 216 V CB 0.174 31.977 31.823 -0.033 0.000 1.114 216 V HN 0.653 nan 8.190 nan 0.000 0.520 217 T N 0.562 115.039 114.554 -0.128 0.000 2.580 217 T HA -0.231 4.120 4.350 0.001 0.000 0.265 217 T C 1.621 176.256 174.700 -0.110 0.000 1.063 217 T CA 2.557 64.572 62.100 -0.141 0.000 1.170 217 T CB -0.247 68.525 68.868 -0.161 0.000 0.863 217 T HN 0.661 nan 8.240 nan 0.000 0.418 218 E N 0.597 120.742 120.200 -0.091 0.000 2.086 218 E HA -0.223 4.127 4.350 0.001 0.000 0.200 218 E C 2.438 179.002 176.600 -0.060 0.000 1.012 218 E CA 1.057 57.410 56.400 -0.078 0.000 0.812 218 E CB -0.129 29.536 29.700 -0.057 0.000 0.743 218 E HN 0.262 nan 8.360 nan 0.000 0.453 219 K N 0.795 121.167 120.400 -0.046 0.000 2.009 219 K HA -0.149 4.171 4.320 0.001 0.000 0.210 219 K C 2.147 178.730 176.600 -0.029 0.000 1.049 219 K CA 1.080 57.350 56.287 -0.028 0.000 0.929 219 K CB -0.354 32.133 32.500 -0.022 0.000 0.714 219 K HN 0.031 nan 8.250 nan 0.000 0.440 220 V N 1.748 121.635 119.914 -0.045 0.000 2.343 220 V HA -0.242 3.879 4.120 0.001 0.000 0.247 220 V C 2.383 178.449 176.094 -0.046 0.000 1.051 220 V CA 1.548 63.823 62.300 -0.041 0.000 1.036 220 V CB -0.280 31.509 31.823 -0.056 0.000 0.654 220 V HN 0.288 nan 8.190 nan 0.000 0.451 221 I N 0.135 120.660 120.570 -0.075 0.000 2.361 221 I HA -0.243 3.928 4.170 0.001 0.000 0.251 221 I C 2.256 178.316 176.117 -0.096 0.000 1.133 221 I CA 1.871 63.112 61.300 -0.099 0.000 1.413 221 I CB -0.367 37.549 38.000 -0.141 0.000 1.073 221 I HN 0.378 nan 8.210 nan 0.000 0.424 222 D N 0.564 120.926 120.400 -0.064 0.000 2.117 222 D HA -0.150 4.490 4.640 0.001 0.000 0.198 222 D C 2.195 178.499 176.300 0.006 0.000 0.982 222 D CA 0.975 54.955 54.000 -0.034 0.000 0.828 222 D CB 0.185 41.008 40.800 0.038 0.000 0.967 222 D HN 0.002 nan 8.370 nan 0.000 0.464 223 L N 0.329 121.563 121.223 0.019 0.000 1.970 223 L HA -0.144 4.196 4.340 0.001 0.000 0.212 223 L C 2.620 179.510 176.870 0.032 0.000 1.071 223 L CA 1.015 55.880 54.840 0.041 0.000 0.751 223 L CB -1.305 40.769 42.059 0.025 0.000 0.889 223 L HN 0.093 nan 8.230 nan 0.000 0.432 224 V N 0.328 120.249 119.914 0.012 0.000 2.250 224 V HA -0.246 3.874 4.120 0.001 0.000 0.250 224 V C 1.446 177.570 176.094 0.048 0.000 1.060 224 V CA 1.649 63.975 62.300 0.043 0.000 1.030 224 V CB -0.838 31.019 31.823 0.057 0.000 0.643 224 V HN 0.491 nan 8.190 nan 0.000 0.445 225 A N -1.478 121.321 122.820 -0.035 0.000 2.621 225 A HA 0.568 4.888 4.320 0.001 0.000 0.329 225 A C 0.375 177.794 177.584 -0.274 0.000 1.458 225 A CA 0.093 52.069 52.037 -0.102 0.000 1.052 225 A CB -0.465 18.446 19.000 -0.149 0.000 1.142 225 A HN 0.805 nan 8.150 nan 0.000 0.523 226 H N -0.342 118.756 119.070 0.046 0.000 1.809 226 H HA -0.058 4.499 4.556 0.001 0.000 0.116 226 H C -1.856 173.484 175.328 0.021 0.000 0.825 226 H CA -0.424 55.641 56.048 0.028 0.000 0.418 226 H CB -1.070 28.704 29.762 0.020 0.000 0.342 226 H HN 0.657 nan 8.280 nan 0.000 0.214 241 G N -0.155 108.494 108.800 -0.252 0.000 2.249 241 G HA2 -0.289 3.672 3.960 0.001 0.000 0.273 241 G HA3 -0.289 3.672 3.960 0.001 0.000 0.273 241 G C -0.126 174.684 174.900 -0.150 0.000 1.036 241 G CA 0.783 45.777 45.100 -0.177 0.000 0.824 241 G HN 0.722 nan 8.290 nan 0.000 0.504 242 W N 0.079 121.410 121.300 0.051 0.000 2.158 242 W HA 0.452 5.112 4.660 0.001 0.000 0.339 242 W C 0.936 177.502 176.519 0.078 0.000 1.294 242 W CA -0.811 56.594 57.345 0.100 0.000 1.231 242 W CB 0.575 30.105 29.460 0.118 0.000 1.143 242 W HN 0.048 nan 8.180 nan 0.000 0.571 243 E N 3.350 123.805 120.200 0.425 0.000 2.328 243 E HA -0.021 4.329 4.350 0.001 0.000 0.265 243 E C -1.416 175.316 176.600 0.220 0.000 1.057 243 E CA -1.090 55.464 56.400 0.256 0.000 0.916 243 E CB 0.642 30.472 29.700 0.218 0.000 0.993 243 E HN 0.130 nan 8.360 nan 0.000 0.446 244 P HA -0.169 nan 4.420 nan 0.000 0.216 244 P C 0.655 177.943 177.300 -0.020 0.000 1.153 244 P CA 1.173 64.262 63.100 -0.019 0.000 0.858 244 P CB 0.393 32.049 31.700 -0.073 0.000 0.789 245 D N -2.050 118.373 120.400 0.039 0.000 2.224 245 D HA -0.094 4.547 4.640 0.001 0.000 0.205 245 D C 1.634 177.952 176.300 0.031 0.000 0.965 245 D CA 0.598 54.612 54.000 0.023 0.000 0.852 245 D CB -0.710 40.116 40.800 0.044 0.000 0.947 245 D HN 0.114 nan 8.370 nan 0.000 0.494 246 F N 1.335 121.245 119.950 -0.067 0.000 2.113 246 F HA -0.114 4.414 4.527 0.001 0.000 0.297 246 F C 1.965 177.650 175.800 -0.191 0.000 1.103 246 F CA 0.739 58.666 58.000 -0.122 0.000 1.248 246 F CB -0.448 38.495 39.000 -0.095 0.000 0.999 246 F HN -0.115 nan 8.300 nan 0.000 0.475 247 L N 0.916 121.894 121.223 -0.407 0.000 2.056 247 L HA -0.131 4.209 4.340 0.001 0.000 0.207 247 L C 2.267 178.879 176.870 -0.431 0.000 1.078 247 L CA 1.875 56.369 54.840 -0.576 0.000 0.749 247 L CB -0.888 40.974 42.059 -0.327 0.000 0.901 247 L HN 0.062 nan 8.230 nan 0.000 0.433 248 K N -0.965 119.275 120.400 -0.268 0.000 2.097 248 K HA -0.048 4.273 4.320 0.001 0.000 0.205 248 K C 1.987 178.461 176.600 -0.210 0.000 1.050 248 K CA 1.056 57.221 56.287 -0.202 0.000 0.938 248 K CB -0.602 31.824 32.500 -0.124 0.000 0.718 248 K HN 0.507 nan 8.250 nan 0.000 0.442 249 G N 1.201 109.868 108.800 -0.222 0.000 2.408 249 G HA2 -0.228 3.732 3.960 0.001 0.000 0.217 249 G HA3 -0.228 3.732 3.960 0.001 0.000 0.217 249 G C 1.406 176.133 174.900 -0.288 0.000 1.150 249 G CA 0.394 45.374 45.100 -0.200 0.000 0.776 249 G HN 0.111 nan 8.290 nan 0.000 0.542 250 L N -0.210 120.724 121.223 -0.482 0.000 2.109 250 L HA 0.149 4.490 4.340 0.001 0.000 0.207 250 L C 1.762 178.394 176.870 -0.397 0.000 1.086 250 L CA 1.759 56.274 54.840 -0.541 0.000 0.760 250 L CB -0.069 41.457 42.059 -0.889 0.000 0.910 250 L HN 0.342 nan 8.230 nan 0.000 0.437 251 K N -1.842 118.349 120.400 -0.347 0.000 3.529 251 K HA -0.183 4.138 4.320 0.001 0.000 0.313 251 K C -0.061 176.369 176.600 -0.283 0.000 1.316 251 K CA 0.873 56.999 56.287 -0.269 0.000 0.988 251 K CB -2.394 29.975 32.500 -0.218 0.000 1.252 251 K HN 0.398 nan 8.250 nan 0.000 0.438 252 V N -2.619 117.105 119.914 -0.316 0.000 3.141 252 V HA 0.738 4.859 4.120 0.001 0.000 0.312 252 V C -0.787 175.192 176.094 -0.191 0.000 1.157 252 V CA -1.369 60.775 62.300 -0.260 0.000 1.041 252 V CB 2.069 33.729 31.823 -0.272 0.000 1.071 252 V HN 0.025 nan 8.190 nan 0.000 0.441 253 L N 3.758 124.937 121.223 -0.074 0.000 2.262 253 L HA 0.740 5.081 4.340 0.001 0.000 0.288 253 L C -2.476 174.467 176.870 0.122 0.000 1.035 253 L CA -1.842 52.980 54.840 -0.031 0.000 0.820 253 L CB 0.908 42.953 42.059 -0.023 0.000 1.204 253 L HN 0.598 nan 8.230 nan 0.000 0.424 254 P HA 0.196 nan 4.420 nan 0.000 0.274 254 P C -0.670 176.823 177.300 0.322 0.000 1.237 254 P CA -0.620 62.574 63.100 0.156 0.000 0.793 254 P CB 0.523 32.245 31.700 0.037 0.000 0.977 255 C N 1.109 120.665 119.300 0.426 0.000 2.347 255 C HA 0.482 4.943 4.460 0.001 0.000 0.366 255 C C -1.259 173.903 174.990 0.287 0.000 1.241 255 C CA -1.797 57.382 59.018 0.268 0.000 2.360 255 C CB 0.282 28.096 27.740 0.123 0.000 2.290 255 C HN 0.409 nan 8.230 nan 0.000 0.587 256 P HA -0.066 nan 4.420 nan 0.000 0.218 256 P C 0.884 178.097 177.300 -0.144 0.000 1.148 256 P CA 1.629 64.707 63.100 -0.038 0.000 0.822 256 P CB -0.193 31.384 31.700 -0.205 0.000 0.784 257 Y N -1.917 118.388 120.300 0.009 0.000 2.497 257 Y HA -0.141 4.409 4.550 0.000 0.000 0.292 257 Y C 2.136 178.126 175.900 0.149 0.000 1.137 257 Y CA 1.180 59.343 58.100 0.105 0.000 1.285 257 Y CB -1.199 37.274 38.460 0.021 0.000 0.991 257 Y HN 0.218 nan 8.280 nan 0.000 0.556 258 H N -0.929 118.347 119.070 0.343 0.000 2.545 258 H HA -0.042 4.515 4.556 0.001 0.000 0.282 258 H C 1.884 177.423 175.328 0.352 0.000 1.020 258 H CA 0.602 56.848 56.048 0.330 0.000 1.243 258 H CB 0.066 30.017 29.762 0.316 0.000 1.377 258 H HN 0.236 nan 8.280 nan 0.000 0.581 259 R N -0.243 120.402 120.500 0.241 0.000 2.148 259 R HA -0.123 4.218 4.340 0.001 0.000 0.227 259 R C 1.114 177.259 176.300 -0.258 0.000 1.103 259 R CA 0.981 57.035 56.100 -0.076 0.000 0.983 259 R CB -0.121 29.933 30.300 -0.411 0.000 0.874 259 R HN 0.427 nan 8.270 nan 0.000 0.451 260 Y N -1.051 119.158 120.300 -0.152 0.000 2.293 260 Y HA -0.190 4.360 4.550 0.001 0.000 0.291 260 Y C 1.421 176.954 175.900 -0.612 0.000 1.137 260 Y CA 1.134 58.970 58.100 -0.439 0.000 1.202 260 Y CB -0.153 37.932 38.460 -0.624 0.000 0.990 260 Y HN 0.069 nan 8.280 nan 0.000 0.537 261 Y N -3.745 116.600 120.300 0.075 0.000 2.500 261 Y HA 0.117 4.668 4.550 0.001 0.000 0.284 261 Y C 1.566 177.479 175.900 0.022 0.000 1.118 261 Y CA 0.279 58.352 58.100 -0.045 0.000 1.241 261 Y CB -0.533 37.792 38.460 -0.226 0.000 1.171 261 Y HN -0.026 nan 8.280 nan 0.000 0.540 262 F N -0.517 119.641 119.950 0.346 0.000 2.721 262 F HA 0.186 4.713 4.527 0.001 0.000 0.301 262 F C 0.405 176.286 175.800 0.136 0.000 1.096 262 F CA 0.130 58.278 58.000 0.247 0.000 1.308 262 F CB 0.452 39.697 39.000 0.408 0.000 1.086 262 F HN -0.094 nan 8.300 nan 0.000 0.587 263 Q N -0.011 119.912 119.800 0.205 0.000 2.563 263 Q HA 0.137 4.477 4.340 0.001 0.000 0.367 263 Q C 0.628 176.590 176.000 -0.063 0.000 0.845 263 Q CA -0.070 55.743 55.803 0.018 0.000 1.077 263 Q CB 0.833 29.497 28.738 -0.122 0.000 1.409 263 Q HN 0.090 nan 8.270 nan 0.000 0.396 264 T N 0.538 115.080 114.554 -0.019 0.000 2.821 264 T HA -0.164 4.187 4.350 0.001 0.000 0.267 264 T C 1.427 176.102 174.700 -0.042 0.000 1.046 264 T CA 1.962 64.036 62.100 -0.043 0.000 1.139 264 T CB -0.091 68.770 68.868 -0.011 0.000 0.871 264 T HN 0.576 nan 8.240 nan 0.000 0.454 265 D N 1.580 121.962 120.400 -0.030 0.000 2.117 265 D HA -0.075 4.566 4.640 0.001 0.000 0.197 265 D C 1.191 177.460 176.300 -0.051 0.000 0.987 265 D CA 1.001 54.983 54.000 -0.029 0.000 0.829 265 D CB -0.411 40.377 40.800 -0.020 0.000 0.961 265 D HN 0.372 nan 8.370 nan 0.000 0.460 269 A N 0.226 123.032 122.820 -0.023 0.000 1.902 269 A HA -0.161 4.160 4.320 0.001 0.000 0.217 269 A C 1.887 179.455 177.584 -0.027 0.000 1.181 269 A CA 2.061 54.083 52.037 -0.025 0.000 0.623 269 A CB -0.506 18.473 19.000 -0.034 0.000 0.818 269 A HN 0.625 nan 8.150 nan 0.000 0.443 270 E N -0.381 119.796 120.200 -0.038 0.000 2.051 270 E HA -0.204 4.147 4.350 0.001 0.000 0.192 270 E C 2.053 178.645 176.600 -0.013 0.000 0.991 270 E CA 1.379 57.757 56.400 -0.036 0.000 0.799 270 E CB -0.178 29.486 29.700 -0.060 0.000 0.748 270 E HN 0.741 nan 8.360 nan 0.000 0.449 271 E N 0.697 120.899 120.200 0.004 0.000 2.051 271 E HA -0.192 4.158 4.350 0.001 0.000 0.192 271 E C 2.239 178.846 176.600 0.011 0.000 0.991 271 E CA 0.867 57.279 56.400 0.020 0.000 0.799 271 E CB -0.097 29.627 29.700 0.040 0.000 0.748 271 E HN 0.192 nan 8.360 nan 0.000 0.449 272 L N 1.051 122.277 121.223 0.006 0.000 2.042 272 L HA -0.218 4.122 4.340 0.001 0.000 0.210 272 L C 2.727 179.595 176.870 -0.003 0.000 1.076 272 L CA 1.151 55.992 54.840 0.001 0.000 0.749 272 L CB -0.386 41.672 42.059 -0.002 0.000 0.893 272 L HN 0.183 nan 8.230 nan 0.000 0.432 273 E N 0.345 120.541 120.200 -0.007 0.000 2.031 273 E HA -0.261 4.090 4.350 0.001 0.000 0.193 273 E C 2.196 178.792 176.600 -0.007 0.000 0.994 273 E CA 1.525 57.919 56.400 -0.010 0.000 0.800 273 E CB 0.010 29.701 29.700 -0.016 0.000 0.752 273 E HN 0.453 nan 8.360 nan 0.000 0.447 274 A N 1.415 124.232 122.820 -0.004 0.000 1.883 274 A HA -0.137 4.184 4.320 0.001 0.000 0.217 274 A C 2.451 180.036 177.584 0.003 0.000 1.186 274 A CA 2.314 54.351 52.037 -0.001 0.000 0.624 274 A CB -0.861 18.141 19.000 0.004 0.000 0.822 274 A HN 0.378 nan 8.150 nan 0.000 0.444 275 A N -0.531 122.292 122.820 0.005 0.000 1.986 275 A HA -0.197 4.124 4.320 0.001 0.000 0.220 275 A C 1.998 179.582 177.584 0.001 0.000 1.171 275 A CA 1.996 54.036 52.037 0.005 0.000 0.640 275 A CB -0.365 18.639 19.000 0.006 0.000 0.811 275 A HN 0.577 nan 8.150 nan 0.000 0.451 276 K N -1.359 119.039 120.400 -0.002 0.000 2.358 276 K HA 0.085 4.406 4.320 0.001 0.000 0.197 276 K C 1.264 177.861 176.600 -0.005 0.000 1.025 276 K CA 0.859 57.143 56.287 -0.005 0.000 1.104 276 K CB 0.425 32.920 32.500 -0.007 0.000 0.855 276 K HN 0.731 nan 8.250 nan 0.000 0.531 277 T N -2.220 112.331 114.554 -0.004 0.000 3.216 277 T HA 0.101 4.452 4.350 0.001 0.000 0.167 277 T C 1.461 176.159 174.700 -0.003 0.000 0.905 277 T CA -0.433 61.665 62.100 -0.005 0.000 1.042 277 T CB -0.122 68.742 68.868 -0.006 0.000 1.787 277 T HN -0.182 nan 8.240 nan 0.000 0.355 278 K N 1.449 121.848 120.400 -0.002 0.000 2.147 278 K HA 0.400 4.720 4.320 0.001 0.000 0.205 278 K C 1.200 177.801 176.600 0.003 0.000 1.049 278 K CA 0.918 57.205 56.287 -0.001 0.000 0.936 278 K CB -0.560 31.939 32.500 -0.001 0.000 0.722 278 K HN 0.874 nan 8.250 nan 0.000 0.446 279 G N 0.585 109.388 108.800 0.004 0.000 2.440 279 G HA2 -0.154 3.806 3.960 0.001 0.000 0.684 279 G HA3 -0.154 3.806 3.960 0.001 0.000 0.684 279 G C -0.218 174.689 174.900 0.012 0.000 1.309 279 G CA -0.618 44.486 45.100 0.008 0.000 0.931 279 G HN 0.151 nan 8.290 nan 0.000 0.612 280 T N -1.422 113.141 114.554 0.016 0.000 2.701 280 T HA 0.433 4.784 4.350 0.001 0.000 0.303 280 T C 1.635 176.351 174.700 0.026 0.000 1.030 280 T CA 0.890 63.004 62.100 0.022 0.000 1.010 280 T CB 1.104 69.987 68.868 0.026 0.000 1.007 280 T HN 0.983 nan 8.240 nan 0.000 0.532 281 R N 0.818 121.338 120.500 0.033 0.000 2.096 281 R HA 0.050 4.391 4.340 0.001 0.000 0.235 281 R C 2.541 178.866 176.300 0.042 0.000 1.127 281 R CA 1.945 58.068 56.100 0.039 0.000 0.968 281 R CB -1.463 28.867 30.300 0.050 0.000 0.861 281 R HN 0.838 nan 8.270 nan 0.000 0.440 282 A N 0.278 123.123 122.820 0.043 0.000 1.969 282 A HA -0.127 4.193 4.320 0.001 0.000 0.218 282 A C 1.921 179.527 177.584 0.036 0.000 1.169 282 A CA 1.598 53.661 52.037 0.043 0.000 0.635 282 A CB -0.376 18.651 19.000 0.044 0.000 0.810 282 A HN 0.526 nan 8.150 nan 0.000 0.445 283 E N -0.486 119.732 120.200 0.030 0.000 2.107 283 E HA -0.073 4.277 4.350 0.001 0.000 0.191 283 E C 1.941 178.553 176.600 0.020 0.000 0.982 283 E CA 1.039 57.454 56.400 0.024 0.000 0.809 283 E CB -0.195 29.517 29.700 0.020 0.000 0.756 283 E HN 0.375 nan 8.360 nan 0.000 0.459 284 V N 0.968 120.893 119.914 0.019 0.000 2.307 284 V HA -0.223 3.897 4.120 0.001 0.000 0.245 284 V C 2.316 178.417 176.094 0.013 0.000 1.045 284 V CA 1.290 63.599 62.300 0.014 0.000 1.024 284 V CB -0.296 31.536 31.823 0.015 0.000 0.651 284 V HN 0.138 nan 8.190 nan 0.000 0.449 285 V N -0.487 119.441 119.914 0.022 0.000 2.469 285 V HA -0.349 3.771 4.120 0.001 0.000 0.251 285 V C 2.396 178.496 176.094 0.010 0.000 1.064 285 V CA 2.221 64.533 62.300 0.019 0.000 1.066 285 V CB -0.621 31.228 31.823 0.043 0.000 0.667 285 V HN 0.595 nan 8.190 nan 0.000 0.461 286 Q N -0.695 119.119 119.800 0.023 0.000 2.016 286 Q HA -0.249 4.092 4.340 0.001 0.000 0.200 286 Q C 2.449 178.463 176.000 0.023 0.000 0.978 286 Q CA 1.866 57.688 55.803 0.033 0.000 0.833 286 Q CB -0.087 28.672 28.738 0.036 0.000 0.895 286 Q HN 0.680 nan 8.270 nan 0.000 0.427 287 Q N 0.059 119.865 119.800 0.011 0.000 2.077 287 Q HA -0.219 4.121 4.340 0.001 0.000 0.206 287 Q C 2.214 178.202 176.000 -0.020 0.000 0.989 287 Q CA 1.483 57.286 55.803 0.000 0.000 0.853 287 Q CB -0.181 28.555 28.738 -0.003 0.000 0.907 287 Q HN 0.323 nan 8.270 nan 0.000 0.418 288 L N 0.731 121.934 121.223 -0.034 0.000 2.046 288 L HA -0.200 4.140 4.340 0.001 0.000 0.208 288 L C 2.155 178.949 176.870 -0.127 0.000 1.077 288 L CA 1.694 56.490 54.840 -0.072 0.000 0.747 288 L CB -0.131 41.890 42.059 -0.063 0.000 0.896 288 L HN 0.150 nan 8.230 nan 0.000 0.432 289 E N -0.687 119.448 120.200 -0.109 0.000 2.110 289 E HA -0.237 4.113 4.350 0.001 0.000 0.193 289 E C 2.158 178.709 176.600 -0.080 0.000 0.988 289 E CA 1.256 57.550 56.400 -0.177 0.000 0.804 289 E CB 0.069 29.749 29.700 -0.032 0.000 0.745 289 E HN 0.392 nan 8.360 nan 0.000 0.458 290 K N 0.514 120.945 120.400 0.053 0.000 2.057 290 K HA -0.138 4.182 4.320 0.001 0.000 0.206 290 K C 0.938 177.559 176.600 0.034 0.000 1.050 290 K CA 1.364 57.724 56.287 0.122 0.000 0.935 290 K CB -0.046 32.500 32.500 0.078 0.000 0.715 290 K HN 0.254 nan 8.250 nan 0.000 0.439 291 E N 1.170 121.342 120.200 -0.047 0.000 2.392 291 E HA 0.028 4.378 4.350 0.001 0.000 0.307 291 E C 0.443 176.932 176.600 -0.185 0.000 1.505 291 E CA 0.108 56.457 56.400 -0.084 0.000 1.716 291 E CB 0.321 29.982 29.700 -0.065 0.000 1.450 291 E HN 0.097 nan 8.360 nan 0.000 0.484 292 L N -0.824 120.230 121.223 -0.282 0.000 2.598 292 L HA 0.159 4.499 4.340 0.001 0.000 0.284 292 L C 0.694 177.034 176.870 -0.883 0.000 1.073 292 L CA 0.345 54.835 54.840 -0.583 0.000 1.361 292 L CB -0.075 41.620 42.059 -0.607 0.000 2.544 292 L HN 0.151 nan 8.230 nan 0.000 0.561 293 F N 1.141 120.893 119.950 -0.329 0.000 2.216 293 F HA -0.063 4.463 4.527 -0.003 0.000 0.300 293 F C 2.396 178.143 175.800 -0.088 0.000 1.085 293 F CA 1.616 59.557 58.000 -0.099 0.000 1.326 293 F CB -0.352 38.660 39.000 0.020 0.000 1.027 293 F HN 0.162 nan 8.300 nan 0.000 0.497 294 E N 0.156 120.386 120.200 0.050 0.000 2.204 294 E HA -0.135 4.216 4.350 0.001 0.000 0.194 294 E C 1.945 178.518 176.600 -0.045 0.000 0.989 294 E CA 0.750 57.158 56.400 0.012 0.000 0.824 294 E CB -0.246 29.452 29.700 -0.003 0.000 0.756 294 E HN 0.196 nan 8.360 nan 0.000 0.477 295 L N -0.676 120.445 121.223 -0.170 0.000 2.109 295 L HA -0.086 4.255 4.340 0.001 0.000 0.207 295 L C 1.555 178.389 176.870 -0.060 0.000 1.086 295 L CA 1.322 56.056 54.840 -0.177 0.000 0.760 295 L CB -0.592 41.283 42.059 -0.307 0.000 0.910 295 L HN 0.298 nan 8.230 nan 0.000 0.437 296 Y N -1.157 119.154 120.300 0.018 0.000 2.632 296 Y HA -0.155 4.394 4.550 -0.002 0.000 0.301 296 Y C 2.150 178.074 175.900 0.041 0.000 1.172 296 Y CA -0.354 57.766 58.100 0.033 0.000 1.328 296 Y CB -0.136 38.367 38.460 0.071 0.000 1.016 296 Y HN 0.053 nan 8.280 nan 0.000 0.529 297 K N 0.162 120.655 120.400 0.155 0.000 2.097 297 K HA -0.079 4.242 4.320 0.001 0.000 0.206 297 K C -0.159 176.483 176.600 0.070 0.000 1.049 297 K CA 1.224 57.571 56.287 0.098 0.000 0.933 297 K CB 0.139 32.676 32.500 0.062 0.000 0.717 297 K HN 0.085 nan 8.250 nan 0.000 0.442 298 D N -1.321 119.116 120.400 0.062 0.000 2.706 298 D HA 0.203 4.844 4.640 0.001 0.000 0.225 298 D C -2.414 173.910 176.300 0.041 0.000 1.241 298 D CA -1.096 52.930 54.000 0.043 0.000 0.784 298 D CB 1.180 41.996 40.800 0.026 0.000 1.521 298 D HN -0.242 nan 8.370 nan 0.000 0.461 315 G N -1.028 107.864 108.800 0.153 0.000 2.410 315 G HA2 0.496 4.457 3.960 0.001 0.000 0.330 315 G HA3 0.496 4.457 3.960 0.001 0.000 0.330 315 G C 0.412 175.428 174.900 0.193 0.000 1.142 315 G CA 0.250 45.471 45.100 0.201 0.000 0.902 315 G HN 0.803 nan 8.290 nan 0.000 0.491 316 G N -0.795 108.137 108.800 0.221 0.000 3.288 316 G HA2 0.439 4.400 3.960 0.001 0.000 0.195 316 G HA3 0.439 4.400 3.960 0.001 0.000 0.195 316 G C 0.212 175.257 174.900 0.243 0.000 1.093 316 G CA 0.789 46.036 45.100 0.245 0.000 0.852 316 G HN 2.302 nan 8.290 nan 0.000 0.453 317 A N -1.195 121.771 122.820 0.243 0.000 2.572 317 A HA 0.596 4.916 4.320 0.001 0.000 0.303 317 A C -1.180 176.534 177.584 0.217 0.000 1.059 317 A CA -0.337 51.806 52.037 0.176 0.000 0.788 317 A CB 0.152 19.093 19.000 -0.098 0.000 1.282 317 A HN 0.892 nan 8.150 nan 0.000 0.397 318 Y N 2.144 122.437 120.300 -0.011 0.000 2.867 318 Y HA 0.256 4.807 4.550 0.002 0.000 0.351 318 Y C 1.036 176.868 175.900 -0.113 0.000 1.046 318 Y CA -0.266 57.813 58.100 -0.035 0.000 1.520 318 Y CB -0.534 37.895 38.460 -0.052 0.000 1.337 318 Y HN 0.844 nan 8.280 nan 0.000 0.525 319 Y N -0.555 119.685 120.300 -0.100 0.000 2.133 319 Y HA -0.258 4.293 4.550 0.001 0.000 0.287 319 Y C 2.436 178.130 175.900 -0.345 0.000 1.134 319 Y CA 2.235 60.159 58.100 -0.293 0.000 1.133 319 Y CB -0.071 38.185 38.460 -0.340 0.000 0.987 319 Y HN 0.079 nan 8.280 nan 0.000 0.502 320 S N -0.517 115.250 115.700 0.113 0.000 2.428 320 S HA -0.167 4.304 4.470 0.001 0.000 0.230 320 S C 1.545 176.189 174.600 0.072 0.000 1.014 320 S CA 1.107 59.434 58.200 0.213 0.000 0.957 320 S CB -0.344 63.047 63.200 0.318 0.000 0.784 320 S HN 0.487 nan 8.310 nan 0.000 0.499 321 D N 2.389 122.803 120.400 0.022 0.000 2.106 321 D HA -0.116 4.525 4.640 0.001 0.000 0.191 321 D C 2.003 178.291 176.300 -0.019 0.000 0.997 321 D CA 1.661 55.670 54.000 0.015 0.000 0.834 321 D CB -0.408 40.428 40.800 0.060 0.000 0.956 321 D HN 0.312 nan 8.370 nan 0.000 0.448 322 A N 0.202 122.973 122.820 -0.080 0.000 1.972 322 A HA 0.098 4.418 4.320 0.001 0.000 0.219 322 A C 2.327 179.827 177.584 -0.140 0.000 1.169 322 A CA 2.147 54.103 52.037 -0.135 0.000 0.635 322 A CB -0.799 18.059 19.000 -0.237 0.000 0.810 322 A HN 0.339 nan 8.150 nan 0.000 0.446 323 A N -0.985 121.748 122.820 -0.144 0.000 1.898 323 A HA -0.126 4.195 4.320 0.001 0.000 0.216 323 A C 2.277 179.846 177.584 -0.025 0.000 1.181 323 A CA 1.563 53.566 52.037 -0.056 0.000 0.620 323 A CB -1.192 17.885 19.000 0.128 0.000 0.819 323 A HN 0.579 nan 8.150 nan 0.000 0.442 324 C N -0.529 118.766 119.300 -0.008 0.000 2.425 324 C HA -0.046 4.415 4.460 0.001 0.000 0.277 324 C C 3.259 178.212 174.990 -0.061 0.000 1.280 324 C CA 1.256 60.254 59.018 -0.033 0.000 1.744 324 C CB -1.215 26.527 27.740 0.003 0.000 1.989 324 C HN 0.614 nan 8.230 nan 0.000 0.491 325 S N 0.996 116.667 115.700 -0.049 0.000 2.356 325 S HA -0.165 4.305 4.470 0.001 0.000 0.223 325 S C 1.728 176.284 174.600 -0.072 0.000 1.032 325 S CA 1.418 59.590 58.200 -0.046 0.000 1.005 325 S CB -0.484 62.695 63.200 -0.036 0.000 0.867 325 S HN 0.554 nan 8.310 nan 0.000 0.449 326 L N 1.893 123.060 121.223 -0.095 0.000 2.027 326 L HA 0.043 4.384 4.340 0.001 0.000 0.206 326 L C 1.923 178.689 176.870 -0.172 0.000 1.074 326 L CA 1.546 56.314 54.840 -0.120 0.000 0.745 326 L CB -0.600 41.391 42.059 -0.114 0.000 0.898 326 L HN 0.272 nan 8.230 nan 0.000 0.433 327 I N -1.221 119.210 120.570 -0.231 0.000 2.179 327 I HA -0.302 3.869 4.170 0.001 0.000 0.242 327 I C 2.675 178.619 176.117 -0.289 0.000 1.088 327 I CA 1.557 62.585 61.300 -0.453 0.000 1.357 327 I CB -0.562 37.053 38.000 -0.642 0.000 1.051 327 I HN 0.332 nan 8.210 nan 0.000 0.409 328 S N 0.027 115.630 115.700 -0.162 0.000 2.368 328 S HA -0.189 4.281 4.470 0.001 0.000 0.225 328 S C 2.240 176.850 174.600 0.017 0.000 1.030 328 S CA 2.045 60.222 58.200 -0.038 0.000 0.999 328 S CB -0.155 63.031 63.200 -0.023 0.000 0.844 328 S HN 0.388 nan 8.310 nan 0.000 0.459 329 S N 1.091 116.771 115.700 -0.032 0.000 2.368 329 S HA 0.036 4.506 4.470 0.001 0.000 0.224 329 S C 1.741 176.322 174.600 -0.032 0.000 1.029 329 S CA 1.284 59.467 58.200 -0.028 0.000 0.988 329 S CB -0.403 62.769 63.200 -0.047 0.000 0.838 329 S HN 0.507 nan 8.310 nan 0.000 0.462 330 I N 0.150 120.681 120.570 -0.066 0.000 2.127 330 I HA -0.241 3.929 4.170 0.001 0.000 0.241 330 I C 2.281 178.440 176.117 0.070 0.000 1.075 330 I CA 1.670 62.932 61.300 -0.064 0.000 1.334 330 I CB -0.452 37.428 38.000 -0.200 0.000 1.040 330 I HN 0.301 nan 8.210 nan 0.000 0.405 331 Y N 2.038 122.360 120.300 0.037 0.000 2.165 331 Y HA -0.250 4.301 4.550 0.002 0.000 0.286 331 Y C 2.159 178.085 175.900 0.044 0.000 1.155 331 Y CA 1.729 59.889 58.100 0.099 0.000 1.164 331 Y CB -0.298 38.210 38.460 0.080 0.000 0.978 331 Y HN 0.205 nan 8.280 nan 0.000 0.513 332 N N 0.279 118.961 118.700 -0.030 0.000 2.336 332 N HA -0.048 4.692 4.740 0.001 0.000 0.189 332 N C 0.019 175.479 175.510 -0.084 0.000 1.113 332 N CA 1.117 54.104 53.050 -0.105 0.000 0.858 332 N CB -0.121 38.378 38.487 0.020 0.000 0.970 332 N HN 0.363 nan 8.380 nan 0.000 0.471 333 D N 0.723 121.086 120.400 -0.062 0.000 2.772 333 D HA -0.180 4.461 4.640 0.001 0.000 0.233 333 D C 0.854 177.137 176.300 -0.029 0.000 1.143 333 D CA 0.693 54.667 54.000 -0.042 0.000 0.700 333 D CB -0.895 39.876 40.800 -0.048 0.000 1.076 333 D HN 0.208 nan 8.370 nan 0.000 0.430 334 K N -0.224 120.162 120.400 -0.023 0.000 2.103 334 K HA -0.062 4.259 4.320 0.001 0.000 0.207 334 K C 1.178 177.768 176.600 -0.018 0.000 1.048 334 K CA 1.343 57.620 56.287 -0.016 0.000 0.930 334 K CB -0.040 32.454 32.500 -0.009 0.000 0.716 334 K HN 0.352 nan 8.250 nan 0.000 0.444 335 R N 1.189 121.677 120.500 -0.021 0.000 3.758 335 R HA -0.147 4.193 4.340 0.001 0.000 0.299 335 R C -0.465 175.820 176.300 -0.025 0.000 1.182 335 R CA 0.957 57.044 56.100 -0.021 0.000 0.809 335 R CB -2.182 28.107 30.300 -0.018 0.000 1.249 335 R HN 0.515 nan 8.270 nan 0.000 0.497 336 D N 0.653 121.039 120.400 -0.024 0.000 2.371 336 D HA 0.112 4.753 4.640 0.001 0.000 0.242 336 D C 0.371 176.653 176.300 -0.030 0.000 1.218 336 D CA -0.245 53.739 54.000 -0.027 0.000 0.945 336 D CB 0.765 41.556 40.800 -0.015 0.000 1.137 336 D HN -0.044 nan 8.370 nan 0.000 0.464 337 I N 0.525 121.073 120.570 -0.036 0.000 2.315 337 I HA 0.199 4.370 4.170 0.001 0.000 0.291 337 I C 0.246 176.363 176.117 0.000 0.000 1.006 337 I CA -0.340 60.945 61.300 -0.026 0.000 1.265 337 I CB 0.177 38.144 38.000 -0.055 0.000 1.387 337 I HN 0.354 nan 8.210 nan 0.000 0.475 338 Q N 7.518 127.320 119.800 0.003 0.000 2.347 338 Q HA 0.445 4.785 4.340 0.001 0.000 0.271 338 Q C -2.559 173.444 176.000 0.005 0.000 1.064 338 Q CA -1.836 53.968 55.803 0.002 0.000 0.800 338 Q CB 3.135 31.853 28.738 -0.033 0.000 1.304 338 Q HN 0.353 nan 8.270 nan 0.000 0.438 339 P HA 0.106 nan 4.420 nan 0.000 0.282 339 P C -0.884 176.354 177.300 -0.103 0.000 1.274 339 P CA -0.069 63.003 63.100 -0.047 0.000 0.770 339 P CB 0.791 32.382 31.700 -0.181 0.000 0.867 340 V N 0.798 120.674 119.914 -0.063 0.000 3.206 340 V HA 0.555 4.676 4.120 0.001 0.000 0.305 340 V C -0.764 175.308 176.094 -0.036 0.000 1.257 340 V CA -1.141 61.119 62.300 -0.066 0.000 1.057 340 V CB 2.289 34.084 31.823 -0.046 0.000 1.075 340 V HN 0.300 nan 8.190 nan 0.000 0.443 341 N N 1.641 120.323 118.700 -0.030 0.000 2.419 341 N HA 0.714 5.454 4.740 0.001 0.000 0.264 341 N C -0.590 174.936 175.510 0.026 0.000 1.031 341 N CA 0.072 53.117 53.050 -0.009 0.000 0.951 341 N CB 1.624 40.098 38.487 -0.021 0.000 1.101 341 N HN 1.001 nan 8.380 nan 0.000 0.488 342 T N -0.300 114.274 114.554 0.033 0.000 2.762 342 T HA 0.258 4.609 4.350 0.001 0.000 0.301 342 T C -0.090 174.634 174.700 0.040 0.000 1.299 342 T CA -0.858 61.275 62.100 0.054 0.000 1.005 342 T CB 1.723 70.632 68.868 0.068 0.000 1.377 342 T HN 0.394 nan 8.240 nan 0.000 0.504 343 R N 1.486 122.011 120.500 0.043 0.000 2.480 343 R HA 0.015 4.356 4.340 0.001 0.000 0.303 343 R C 1.279 177.595 176.300 0.027 0.000 0.985 343 R CA 0.108 56.224 56.100 0.026 0.000 1.051 343 R CB 0.092 30.407 30.300 0.025 0.000 0.935 343 R HN 0.636 nan 8.270 nan 0.000 0.410 344 N N 3.806 122.518 118.700 0.020 0.000 2.036 344 N HA -0.315 4.425 4.740 0.001 0.000 0.195 344 N C 0.289 175.813 175.510 0.022 0.000 1.037 344 N CA 2.130 55.194 53.050 0.023 0.000 0.855 344 N CB -0.209 38.290 38.487 0.019 0.000 1.033 344 N HN 0.825 nan 8.380 nan 0.000 0.423 345 N N -1.254 117.456 118.700 0.015 0.000 2.708 345 N HA -0.199 4.542 4.740 0.001 0.000 0.249 345 N C 0.425 175.944 175.510 0.015 0.000 1.097 345 N CA 1.784 54.842 53.050 0.013 0.000 0.710 345 N CB -1.483 37.014 38.487 0.017 0.000 1.032 345 N HN 0.710 nan 8.380 nan 0.000 0.551 346 G N -2.778 106.031 108.800 0.015 0.000 2.157 346 G HA2 -0.188 3.773 3.960 0.001 0.000 0.248 346 G HA3 -0.188 3.773 3.960 0.001 0.000 0.248 346 G C 1.114 176.027 174.900 0.022 0.000 0.979 346 G CA 1.046 46.156 45.100 0.016 0.000 0.650 346 G HN 1.246 nan 8.290 nan 0.000 0.529 347 A N -0.657 122.180 122.820 0.027 0.000 1.972 347 A HA 0.409 4.730 4.320 0.001 0.000 0.219 347 A C 1.194 178.801 177.584 0.038 0.000 1.169 347 A CA 1.501 53.558 52.037 0.034 0.000 0.635 347 A CB -0.053 18.971 19.000 0.040 0.000 0.810 347 A HN 0.923 nan 8.150 nan 0.000 0.446 348 I N -1.316 119.277 120.570 0.038 0.000 2.410 348 I HA 0.348 4.518 4.170 0.001 0.000 0.286 348 I C 1.171 177.305 176.117 0.029 0.000 1.009 348 I CA -0.396 60.928 61.300 0.039 0.000 1.111 348 I CB 1.882 39.912 38.000 0.050 0.000 1.262 348 I HN 0.142 nan 8.210 nan 0.000 0.443 349 A N 3.859 126.693 122.820 0.024 0.000 2.019 349 A HA -0.136 4.184 4.320 0.001 0.000 0.219 349 A C 2.131 179.725 177.584 0.016 0.000 1.164 349 A CA 1.993 54.041 52.037 0.017 0.000 0.644 349 A CB -0.383 18.625 19.000 0.014 0.000 0.805 349 A HN 0.774 nan 8.150 nan 0.000 0.449 350 S N -1.070 114.641 115.700 0.019 0.000 2.527 350 S HA 0.238 4.708 4.470 0.001 0.000 0.222 350 S C 0.536 175.149 174.600 0.022 0.000 0.985 350 S CA -0.020 58.191 58.200 0.020 0.000 0.921 350 S CB -0.119 63.094 63.200 0.021 0.000 0.772 350 S HN 0.289 nan 8.310 nan 0.000 0.529 351 I N 2.159 122.744 120.570 0.024 0.000 2.412 351 I HA 0.347 4.518 4.170 0.001 0.000 0.296 351 I C 0.643 176.769 176.117 0.014 0.000 0.987 351 I CA -0.671 60.642 61.300 0.022 0.000 1.180 351 I CB 1.458 39.475 38.000 0.030 0.000 1.340 351 I HN 0.151 nan 8.210 nan 0.000 0.455 352 S N 3.923 119.627 115.700 0.008 0.000 2.558 352 S HA 0.090 4.561 4.470 0.001 0.000 0.291 352 S C 1.421 176.020 174.600 -0.001 0.000 1.306 352 S CA 0.304 58.505 58.200 -0.000 0.000 1.056 352 S CB 0.766 63.961 63.200 -0.009 0.000 0.836 352 S HN 0.747 nan 8.310 nan 0.000 0.504 353 A N 3.942 126.760 122.820 -0.003 0.000 2.019 353 A HA -0.040 4.280 4.320 0.001 0.000 0.219 353 A C 1.870 179.448 177.584 -0.009 0.000 1.164 353 A CA 1.732 53.768 52.037 -0.002 0.000 0.644 353 A CB -0.618 18.380 19.000 -0.003 0.000 0.805 353 A HN 0.872 nan 8.150 nan 0.000 0.449 354 E N 0.140 120.328 120.200 -0.021 0.000 2.371 354 E HA 0.101 4.452 4.350 0.001 0.000 0.194 354 E C 0.501 177.079 176.600 -0.038 0.000 1.012 354 E CA 0.201 56.580 56.400 -0.036 0.000 0.860 354 E CB 0.080 29.746 29.700 -0.056 0.000 0.811 354 E HN 0.473 nan 8.360 nan 0.000 0.502 355 S N 0.033 115.718 115.700 -0.025 0.000 2.652 355 S HA 0.598 5.069 4.470 0.001 0.000 0.270 355 S C -0.081 174.515 174.600 -0.008 0.000 1.243 355 S CA -0.533 57.654 58.200 -0.022 0.000 0.999 355 S CB 1.381 64.573 63.200 -0.012 0.000 0.973 355 S HN 0.261 nan 8.310 nan 0.000 0.544 356 A N 1.434 124.250 122.820 -0.007 0.000 2.363 356 A HA 0.622 4.943 4.320 0.001 0.000 0.270 356 A C -0.040 177.549 177.584 0.010 0.000 1.121 356 A CA -0.541 51.498 52.037 0.003 0.000 0.800 356 A CB -0.087 18.912 19.000 -0.002 0.000 1.052 356 A HN 0.922 nan 8.150 nan 0.000 0.493 357 V N 0.036 119.960 119.914 0.017 0.000 3.040 357 V HA 0.749 4.870 4.120 0.001 0.000 0.312 357 V C -0.512 175.595 176.094 0.021 0.000 1.115 357 V CA -0.849 61.467 62.300 0.027 0.000 0.998 357 V CB 1.744 33.592 31.823 0.042 0.000 1.042 357 V HN 0.934 nan 8.190 nan 0.000 0.433 358 E N 1.785 121.999 120.200 0.024 0.000 2.073 358 E HA 0.657 5.007 4.350 0.001 0.000 0.269 358 E C -0.770 175.864 176.600 0.056 0.000 0.917 358 E CA -0.512 55.895 56.400 0.010 0.000 0.757 358 E CB 1.505 31.187 29.700 -0.029 0.000 1.111 358 E HN 1.179 nan 8.360 nan 0.000 0.410 359 V N 1.345 121.295 119.914 0.060 0.000 3.114 359 V HA 0.532 4.653 4.120 0.001 0.000 0.308 359 V C -0.590 175.565 176.094 0.101 0.000 1.168 359 V CA -1.453 60.911 62.300 0.107 0.000 1.015 359 V CB 1.848 33.727 31.823 0.093 0.000 1.050 359 V HN 0.517 nan 8.190 nan 0.000 0.433 360 N N 0.816 119.606 118.700 0.151 0.000 2.412 360 N HA 0.386 5.126 4.740 0.001 0.000 0.258 360 N C -0.491 175.059 175.510 0.066 0.000 1.236 360 N CA 0.251 53.375 53.050 0.124 0.000 0.882 360 N CB 0.286 38.858 38.487 0.142 0.000 1.066 360 N HN 0.936 nan 8.380 nan 0.000 0.465 361 C N 1.189 120.513 119.300 0.039 0.000 2.802 361 C HA 0.452 4.912 4.460 0.001 0.000 0.307 361 C C -0.026 174.966 174.990 0.004 0.000 1.222 361 C CA -0.882 58.149 59.018 0.021 0.000 1.580 361 C CB 1.771 29.519 27.740 0.014 0.000 2.119 361 C HN 0.400 nan 8.230 nan 0.000 0.479 362 V N 4.363 124.277 119.914 0.000 0.000 2.461 362 V HA 0.271 4.392 4.120 0.001 0.000 0.275 362 V C -0.003 176.082 176.094 -0.014 0.000 1.047 362 V CA -0.055 62.238 62.300 -0.010 0.000 0.955 362 V CB 0.661 32.478 31.823 -0.009 0.000 0.988 362 V HN 0.563 nan 8.190 nan 0.000 0.471 363 I N 5.653 126.207 120.570 -0.027 0.000 2.291 363 I HA 0.307 4.477 4.170 0.001 0.000 0.292 363 I C 0.755 176.847 176.117 -0.040 0.000 1.064 363 I CA 0.204 61.476 61.300 -0.047 0.000 1.269 363 I CB 0.543 38.505 38.000 -0.064 0.000 1.418 363 I HN 0.776 nan 8.210 nan 0.000 0.485 364 T N 1.954 116.489 114.554 -0.031 0.000 2.938 364 T HA 0.390 4.740 4.350 0.001 0.000 0.285 364 T C 0.953 175.646 174.700 -0.012 0.000 1.028 364 T CA -0.748 61.346 62.100 -0.011 0.000 1.005 364 T CB 2.220 71.097 68.868 0.016 0.000 1.157 364 T HN 0.529 nan 8.240 nan 0.000 0.550 365 K N -0.464 119.946 120.400 0.016 0.000 2.288 365 K HA -0.049 4.272 4.320 0.001 0.000 0.201 365 K C 1.249 177.949 176.600 0.165 0.000 1.048 365 K CA 1.019 57.339 56.287 0.055 0.000 0.956 365 K CB -0.200 32.321 32.500 0.035 0.000 0.746 365 K HN 0.653 nan 8.250 nan 0.000 0.461 366 D N -0.273 120.221 120.400 0.157 0.000 2.349 366 D HA 0.096 4.737 4.640 0.001 0.000 0.224 366 D C 0.122 176.639 176.300 0.361 0.000 1.029 366 D CA 0.805 54.951 54.000 0.243 0.000 0.879 366 D CB 0.475 41.357 40.800 0.137 0.000 0.906 366 D HN 0.408 nan 8.370 nan 0.000 0.528 367 G N -0.354 108.581 108.800 0.224 0.000 2.384 367 G HA2 -0.105 3.855 3.960 0.001 0.000 0.668 367 G HA3 -0.105 3.855 3.960 0.001 0.000 0.668 367 G C -2.811 172.108 174.900 0.033 0.000 1.280 367 G CA -0.946 44.228 45.100 0.124 0.000 0.992 367 G HN -0.027 nan 8.290 nan 0.000 0.512 368 P HA 0.451 nan 4.420 nan 0.000 0.276 368 P C -0.724 176.606 177.300 0.050 0.000 1.235 368 P CA 0.012 63.122 63.100 0.017 0.000 0.772 368 P CB 0.910 32.619 31.700 0.015 0.000 0.871 369 K N 4.677 125.096 120.400 0.031 0.000 2.473 369 K HA 0.376 4.696 4.320 0.001 0.000 0.246 369 K C -2.440 174.177 176.600 0.027 0.000 1.011 369 K CA -2.579 53.728 56.287 0.033 0.000 0.984 369 K CB 0.172 32.688 32.500 0.026 0.000 1.250 369 K HN 0.297 nan 8.250 nan 0.000 0.454 370 P HA 0.033 nan 4.420 nan 0.000 0.265 370 P C -0.144 177.175 177.300 0.030 0.000 1.193 370 P CA 0.078 63.199 63.100 0.035 0.000 0.765 370 P CB 0.586 32.309 31.700 0.039 0.000 0.823 371 I N 1.943 122.533 120.570 0.033 0.000 2.395 371 I HA 0.210 4.381 4.170 0.001 0.000 0.289 371 I C 1.059 177.197 176.117 0.036 0.000 1.023 371 I CA -0.746 60.571 61.300 0.028 0.000 1.350 371 I CB 0.882 38.898 38.000 0.027 0.000 1.409 371 I HN 0.343 nan 8.210 nan 0.000 0.507 372 A N 5.919 128.756 122.820 0.027 0.000 2.566 372 A HA 0.135 4.456 4.320 0.001 0.000 0.245 372 A C 0.992 178.601 177.584 0.041 0.000 1.056 372 A CA -0.039 52.016 52.037 0.030 0.000 0.757 372 A CB 0.177 19.189 19.000 0.020 0.000 0.979 372 A HN 0.676 nan 8.150 nan 0.000 0.508 373 V N 2.840 122.783 119.914 0.050 0.000 2.949 373 V HA 0.328 4.449 4.120 0.001 0.000 0.245 373 V C 2.094 178.218 176.094 0.051 0.000 1.086 373 V CA 1.527 63.865 62.300 0.063 0.000 1.097 373 V CB -1.182 30.686 31.823 0.076 0.000 0.762 373 V HN 1.804 nan 8.190 nan 0.000 0.470 374 G N 0.431 109.253 108.800 0.037 0.000 4.794 374 G HA2 -0.225 3.736 3.960 0.001 0.000 0.275 374 G HA3 -0.225 3.736 3.960 0.001 0.000 0.275 374 G C -0.204 174.711 174.900 0.025 0.000 1.648 374 G CA 0.386 45.502 45.100 0.028 0.000 1.154 374 G HN 0.527 nan 8.290 nan 0.000 0.680 375 D N -1.018 119.397 120.400 0.024 0.000 2.653 375 D HA 0.519 5.159 4.640 0.001 0.000 0.258 375 D C -0.291 176.012 176.300 0.005 0.000 1.252 375 D CA -0.697 53.313 54.000 0.016 0.000 0.777 375 D CB 0.991 41.795 40.800 0.007 0.000 1.339 375 D HN 0.316 nan 8.370 nan 0.000 0.422 376 L N 1.928 123.149 121.223 -0.004 0.000 2.461 376 L HA 0.327 4.668 4.340 0.001 0.000 0.272 376 L C -1.689 175.132 176.870 -0.083 0.000 1.197 376 L CA -0.948 53.864 54.840 -0.047 0.000 0.836 376 L CB -0.443 41.589 42.059 -0.044 0.000 1.105 376 L HN 0.286 nan 8.230 nan 0.000 0.477 377 P HA 0.009 nan 4.420 nan 0.000 0.267 377 P C 1.213 178.434 177.300 -0.133 0.000 1.200 377 P CA -0.225 62.787 63.100 -0.147 0.000 0.772 377 P CB 0.568 32.138 31.700 -0.216 0.000 0.855 378 V N 2.806 122.664 119.914 -0.093 0.000 2.278 378 V HA -0.354 3.767 4.120 0.001 0.000 0.251 378 V C 2.441 178.492 176.094 -0.071 0.000 1.062 378 V CA 2.750 65.011 62.300 -0.064 0.000 1.038 378 V CB -1.756 30.039 31.823 -0.047 0.000 0.646 378 V HN 0.705 nan 8.190 nan 0.000 0.447 379 A N 0.355 123.111 122.820 -0.106 0.000 1.915 379 A HA -0.218 4.103 4.320 0.001 0.000 0.220 379 A C 2.249 179.783 177.584 -0.083 0.000 1.198 379 A CA 2.906 54.879 52.037 -0.107 0.000 0.647 379 A CB -0.715 18.178 19.000 -0.178 0.000 0.825 379 A HN 0.984 nan 8.150 nan 0.000 0.456 380 V N -3.847 115.961 119.914 -0.178 0.000 3.578 380 V HA 0.264 4.384 4.120 0.001 0.000 0.290 380 V C 1.875 177.940 176.094 -0.049 0.000 1.376 380 V CA 1.007 63.206 62.300 -0.169 0.000 1.083 380 V CB -0.452 30.906 31.823 -0.775 0.000 0.911 380 V HN 0.512 nan 8.190 nan 0.000 0.433 381 R N 1.260 121.732 120.500 -0.046 0.000 2.115 381 R HA 0.030 4.371 4.340 0.001 0.000 0.226 381 R C 2.171 178.492 176.300 0.034 0.000 1.100 381 R CA 1.610 57.707 56.100 -0.004 0.000 0.980 381 R CB -0.610 29.679 30.300 -0.018 0.000 0.875 381 R HN 0.579 nan 8.270 nan 0.000 0.445 382 G N 1.397 110.222 108.800 0.043 0.000 2.404 382 G HA2 -0.241 3.720 3.960 0.001 0.000 0.215 382 G HA3 -0.241 3.720 3.960 0.001 0.000 0.215 382 G C 1.438 176.380 174.900 0.070 0.000 1.174 382 G CA 0.318 45.453 45.100 0.058 0.000 0.780 382 G HN 0.241 nan 8.290 nan 0.000 0.537 383 L N 1.227 122.509 121.223 0.099 0.000 1.994 383 L HA -0.127 4.213 4.340 0.001 0.000 0.208 383 L C 3.186 180.077 176.870 0.035 0.000 1.071 383 L CA 2.174 57.055 54.840 0.068 0.000 0.745 383 L CB -0.411 41.720 42.059 0.120 0.000 0.892 383 L HN 0.275 nan 8.230 nan 0.000 0.431 384 V N -2.615 117.360 119.914 0.101 0.000 2.490 384 V HA -0.288 3.833 4.120 0.001 0.000 0.250 384 V C 2.306 178.436 176.094 0.061 0.000 1.061 384 V CA 1.891 64.250 62.300 0.100 0.000 1.064 384 V CB -0.900 31.018 31.823 0.158 0.000 0.670 384 V HN 0.464 nan 8.190 nan 0.000 0.461 385 Q N -0.288 119.545 119.800 0.055 0.000 2.172 385 Q HA -0.127 4.214 4.340 0.001 0.000 0.200 385 Q C 2.379 178.409 176.000 0.051 0.000 0.964 385 Q CA 1.613 57.446 55.803 0.048 0.000 0.855 385 Q CB -0.421 28.343 28.738 0.043 0.000 0.918 385 Q HN 0.688 nan 8.270 nan 0.000 0.444 386 Q N -0.356 119.471 119.800 0.044 0.000 2.050 386 Q HA -0.117 4.224 4.340 0.001 0.000 0.202 386 Q C 1.907 177.950 176.000 0.072 0.000 0.980 386 Q CA 1.157 56.990 55.803 0.050 0.000 0.840 386 Q CB -0.135 28.619 28.738 0.026 0.000 0.898 386 Q HN 0.387 nan 8.270 nan 0.000 0.424 387 I N 0.786 121.375 120.570 0.031 0.000 2.252 387 I HA -0.226 3.944 4.170 0.001 0.000 0.245 387 I C 2.318 178.523 176.117 0.146 0.000 1.102 387 I CA 1.184 62.531 61.300 0.078 0.000 1.385 387 I CB -0.567 37.415 38.000 -0.029 0.000 1.064 387 I HN 0.069 nan 8.210 nan 0.000 0.414 388 K N 0.495 120.945 120.400 0.084 0.000 2.009 388 K HA -0.139 4.181 4.320 0.001 0.000 0.210 388 K C 2.346 178.983 176.600 0.062 0.000 1.049 388 K CA 1.895 58.220 56.287 0.062 0.000 0.929 388 K CB -0.524 32.003 32.500 0.045 0.000 0.714 388 K HN 0.131 nan 8.250 nan 0.000 0.440 389 S N 0.055 115.800 115.700 0.075 0.000 2.378 389 S HA -0.209 4.261 4.470 0.001 0.000 0.229 389 S C 1.612 176.274 174.600 0.103 0.000 1.052 389 S CA 1.666 59.913 58.200 0.077 0.000 1.084 389 S CB -0.619 62.631 63.200 0.084 0.000 0.950 389 S HN 0.448 nan 8.310 nan 0.000 0.440 390 F N 2.170 122.127 119.950 0.012 0.000 2.069 390 F HA -0.149 4.379 4.527 0.001 0.000 0.298 390 F C 2.207 178.014 175.800 0.012 0.000 1.113 390 F CA 1.931 59.940 58.000 0.014 0.000 1.214 390 F CB -0.764 38.248 39.000 0.019 0.000 0.978 390 F HN 0.221 nan 8.300 nan 0.000 0.474 391 E N -0.096 120.006 120.200 -0.163 0.000 2.097 391 E HA -0.275 4.076 4.350 0.001 0.000 0.196 391 E C 2.362 178.842 176.600 -0.200 0.000 1.000 391 E CA 1.726 57.980 56.400 -0.242 0.000 0.804 391 E CB -0.188 29.483 29.700 -0.049 0.000 0.740 391 E HN 0.475 nan 8.360 nan 0.000 0.454 392 R N 0.050 120.490 120.500 -0.101 0.000 2.062 392 R HA -0.072 4.268 4.340 0.001 0.000 0.229 392 R C 2.485 178.757 176.300 -0.046 0.000 1.128 392 R CA 1.099 57.173 56.100 -0.045 0.000 0.960 392 R CB -0.234 30.058 30.300 -0.012 0.000 0.855 392 R HN 0.050 nan 8.270 nan 0.000 0.432 393 V N 1.098 120.964 119.914 -0.079 0.000 2.358 393 V HA -0.207 3.913 4.120 0.001 0.000 0.246 393 V C 2.437 178.443 176.094 -0.147 0.000 1.047 393 V CA 1.916 64.172 62.300 -0.073 0.000 1.035 393 V CB -0.715 31.087 31.823 -0.034 0.000 0.658 393 V HN 0.388 nan 8.190 nan 0.000 0.452 394 A N 0.194 122.821 122.820 -0.321 0.000 1.902 394 A HA -0.113 4.208 4.320 0.001 0.000 0.217 394 A C 2.414 179.866 177.584 -0.220 0.000 1.181 394 A CA 2.116 53.922 52.037 -0.385 0.000 0.623 394 A CB -0.768 17.738 19.000 -0.824 0.000 0.818 394 A HN 0.568 nan 8.150 nan 0.000 0.443 395 A N -0.519 122.205 122.820 -0.160 0.000 1.930 395 A HA -0.134 4.186 4.320 0.001 0.000 0.217 395 A C 2.010 179.569 177.584 -0.042 0.000 1.175 395 A CA 1.706 53.716 52.037 -0.044 0.000 0.627 395 A CB -0.475 18.558 19.000 0.054 0.000 0.815 395 A HN 0.690 nan 8.150 nan 0.000 0.443 396 E N 0.065 120.252 120.200 -0.021 0.000 2.031 396 E HA -0.139 4.211 4.350 0.001 0.000 0.193 396 E C 2.148 178.630 176.600 -0.197 0.000 0.994 396 E CA 1.099 57.423 56.400 -0.127 0.000 0.800 396 E CB -0.292 29.409 29.700 0.003 0.000 0.752 396 E HN 0.506 nan 8.360 nan 0.000 0.447 397 A N 1.129 123.877 122.820 -0.120 0.000 1.986 397 A HA -0.171 4.149 4.320 0.001 0.000 0.220 397 A C 2.361 179.890 177.584 -0.092 0.000 1.171 397 A CA 1.948 53.935 52.037 -0.083 0.000 0.640 397 A CB -0.773 18.226 19.000 -0.003 0.000 0.811 397 A HN 0.441 nan 8.150 nan 0.000 0.451 398 A N -0.817 121.948 122.820 -0.092 0.000 1.930 398 A HA 0.066 4.387 4.320 0.001 0.000 0.217 398 A C 2.166 179.667 177.584 -0.138 0.000 1.175 398 A CA 1.772 53.773 52.037 -0.059 0.000 0.627 398 A CB -0.602 18.366 19.000 -0.054 0.000 0.815 398 A HN 0.409 nan 8.150 nan 0.000 0.443 399 V N 0.020 119.783 119.914 -0.252 0.000 2.535 399 V HA -0.126 3.995 4.120 0.001 0.000 0.246 399 V C 2.797 178.710 176.094 -0.301 0.000 1.045 399 V CA 2.145 64.259 62.300 -0.311 0.000 1.058 399 V CB -0.944 30.539 31.823 -0.566 0.000 0.689 399 V HN 0.788 nan 8.190 nan 0.000 0.461 400 T N -2.433 111.928 114.554 -0.321 0.000 3.035 400 T HA 0.195 4.546 4.350 0.001 0.000 0.259 400 T C 1.702 176.178 174.700 -0.375 0.000 1.078 400 T CA 0.917 62.845 62.100 -0.287 0.000 1.132 400 T CB 0.162 68.891 68.868 -0.232 0.000 0.900 400 T HN 0.950 nan 8.240 nan 0.000 0.480 401 G N 1.974 110.436 108.800 -0.563 0.000 2.179 401 G HA2 -0.255 3.706 3.960 0.001 0.000 0.257 401 G HA3 -0.255 3.706 3.960 0.001 0.000 0.257 401 G C -0.230 174.189 174.900 -0.801 0.000 1.010 401 G CA 0.287 44.670 45.100 -1.195 0.000 0.736 401 G HN 0.770 nan 8.290 nan 0.000 0.513 402 D N -0.763 119.434 120.400 -0.339 0.000 2.343 402 D HA 0.197 4.837 4.640 0.001 0.000 0.255 402 D C 1.210 177.574 176.300 0.108 0.000 1.187 402 D CA -0.451 53.494 54.000 -0.092 0.000 0.875 402 D CB 0.515 41.279 40.800 -0.061 0.000 1.136 402 D HN 0.241 nan 8.370 nan 0.000 0.469 403 Y N 4.211 124.570 120.300 0.098 0.000 2.145 403 Y HA -0.221 4.330 4.550 0.001 0.000 0.286 403 Y C 2.269 178.241 175.900 0.120 0.000 1.145 403 Y CA 1.653 59.875 58.100 0.203 0.000 1.148 403 Y CB 0.185 38.731 38.460 0.143 0.000 0.981 403 Y HN 0.517 nan 8.280 nan 0.000 0.507 404 Q N -0.716 119.201 119.800 0.195 0.000 2.096 404 Q HA -0.195 4.146 4.340 0.001 0.000 0.204 404 Q C 2.118 178.112 176.000 -0.011 0.000 0.982 404 Q CA 2.324 58.174 55.803 0.078 0.000 0.850 404 Q CB -0.334 28.473 28.738 0.114 0.000 0.901 404 Q HN 0.462 nan 8.270 nan 0.000 0.422 405 T N 0.913 115.472 114.554 0.007 0.000 2.708 405 T HA -0.176 4.175 4.350 0.001 0.000 0.266 405 T C 1.940 176.623 174.700 -0.029 0.000 1.037 405 T CA 1.279 63.373 62.100 -0.010 0.000 1.146 405 T CB -0.378 68.480 68.868 -0.017 0.000 0.865 405 T HN 0.420 nan 8.240 nan 0.000 0.435 406 A N 1.352 124.160 122.820 -0.021 0.000 1.908 406 A HA -0.065 4.255 4.320 0.001 0.000 0.218 406 A C 2.244 179.757 177.584 -0.118 0.000 1.181 406 A CA 1.421 53.423 52.037 -0.057 0.000 0.627 406 A CB -0.835 18.152 19.000 -0.021 0.000 0.818 406 A HN 0.400 nan 8.150 nan 0.000 0.445 407 L N -0.185 120.909 121.223 -0.216 0.000 2.093 407 L HA -0.068 4.272 4.340 0.001 0.000 0.208 407 L C 2.362 179.199 176.870 -0.054 0.000 1.085 407 L CA 1.674 56.401 54.840 -0.188 0.000 0.755 407 L CB -0.533 41.360 42.059 -0.275 0.000 0.904 407 L HN 0.150 nan 8.230 nan 0.000 0.435 408 V N 0.226 120.123 119.914 -0.028 0.000 2.343 408 V HA -0.157 3.964 4.120 0.001 0.000 0.247 408 V C 1.959 178.089 176.094 0.060 0.000 1.051 408 V CA 0.915 63.226 62.300 0.018 0.000 1.036 408 V CB -1.355 30.479 31.823 0.018 0.000 0.654 408 V HN 0.552 nan 8.190 nan 0.000 0.451 412 I N -0.027 120.596 120.570 0.087 0.000 3.059 412 I HA 0.263 4.434 4.170 0.001 0.000 0.270 412 I C 0.784 176.945 176.117 0.074 0.000 1.238 412 I CA 0.226 61.581 61.300 0.091 0.000 1.478 412 I CB -0.266 37.802 38.000 0.113 0.000 1.097 412 I HN 0.117 nan 8.210 nan 0.000 0.455 413 N N 3.201 121.922 118.700 0.035 0.000 2.357 413 N HA -0.011 4.729 4.740 0.001 0.000 0.257 413 N C -1.503 173.980 175.510 -0.045 0.000 1.250 413 N CA -0.682 52.282 53.050 -0.144 0.000 0.862 413 N CB 1.125 39.385 38.487 -0.379 0.000 1.066 413 N HN 0.038 nan 8.380 nan 0.000 0.468 414 P HA -0.092 nan 4.420 nan 0.000 0.221 414 P C 0.993 178.338 177.300 0.075 0.000 1.145 414 P CA 1.150 64.303 63.100 0.087 0.000 0.795 414 P CB 0.228 32.046 31.700 0.196 0.000 0.775 415 L N -2.333 118.905 121.223 0.025 0.000 2.567 415 L HA 0.090 4.430 4.340 0.001 0.000 0.225 415 L C 0.440 177.303 176.870 -0.012 0.000 1.119 415 L CA -0.010 54.824 54.840 -0.011 0.000 0.871 415 L CB -0.039 41.979 42.059 -0.070 0.000 1.036 415 L HN -0.251 nan 8.230 nan 0.000 0.459 416 V N 1.183 121.089 119.914 -0.013 0.000 2.370 416 V HA 0.182 4.303 4.120 0.001 0.000 0.279 416 V C -1.226 174.878 176.094 0.016 0.000 1.029 416 V CA -0.970 61.328 62.300 -0.005 0.000 0.870 416 V CB 1.308 33.123 31.823 -0.014 0.000 0.984 416 V HN 0.007 nan 8.190 nan 0.000 0.451 417 P HA -0.044 nan 4.420 nan 0.000 0.217 417 P C 0.367 177.688 177.300 0.034 0.000 1.150 417 P CA 1.007 64.127 63.100 0.034 0.000 0.832 417 P CB 0.233 31.958 31.700 0.042 0.000 0.787 418 S N -2.488 113.231 115.700 0.031 0.000 2.588 418 S HA 0.281 4.751 4.470 0.001 0.000 0.269 418 S C 0.294 174.911 174.600 0.027 0.000 1.157 418 S CA -0.524 57.695 58.200 0.033 0.000 0.824 418 S CB 1.086 64.310 63.200 0.039 0.000 1.126 418 S HN -0.040 nan 8.310 nan 0.000 0.464 419 D N 1.378 121.797 120.400 0.031 0.000 2.117 419 D HA -0.110 4.531 4.640 0.001 0.000 0.197 419 D C 1.547 177.867 176.300 0.032 0.000 0.987 419 D CA 2.115 56.133 54.000 0.030 0.000 0.829 419 D CB -1.416 39.405 40.800 0.035 0.000 0.961 419 D HN 0.524 nan 8.370 nan 0.000 0.460 420 T N 0.850 115.428 114.554 0.040 0.000 2.652 420 T HA -0.082 4.269 4.350 0.001 0.000 0.267 420 T C 2.133 176.859 174.700 0.043 0.000 1.039 420 T CA 1.399 63.528 62.100 0.049 0.000 1.153 420 T CB -0.372 68.529 68.868 0.055 0.000 0.863 420 T HN 0.194 nan 8.240 nan 0.000 0.428 421 I N 1.052 121.644 120.570 0.037 0.000 2.286 421 I HA -0.174 3.996 4.170 0.001 0.000 0.248 421 I C 2.860 178.918 176.117 -0.098 0.000 1.115 421 I CA 0.946 62.247 61.300 0.001 0.000 1.392 421 I CB -0.494 37.530 38.000 0.040 0.000 1.065 421 I HN 0.201 nan 8.210 nan 0.000 0.418 422 A N 1.011 123.803 122.820 -0.047 0.000 1.873 422 A HA -0.308 4.013 4.320 0.001 0.000 0.218 422 A C 2.399 179.953 177.584 -0.050 0.000 1.193 422 A CA 2.269 54.278 52.037 -0.048 0.000 0.629 422 A CB -0.629 18.366 19.000 -0.009 0.000 0.826 422 A HN 0.382 nan 8.150 nan 0.000 0.447 423 K N -0.615 119.777 120.400 -0.013 0.000 2.026 423 K HA -0.235 4.085 4.320 0.001 0.000 0.208 423 K C 2.280 178.894 176.600 0.023 0.000 1.048 423 K CA 1.786 58.091 56.287 0.031 0.000 0.929 423 K CB -0.258 32.292 32.500 0.083 0.000 0.713 423 K HN 0.639 nan 8.250 nan 0.000 0.439 424 Q N 0.462 120.252 119.800 -0.016 0.000 2.030 424 Q HA -0.182 4.158 4.340 0.001 0.000 0.204 424 Q C 2.223 178.112 176.000 -0.184 0.000 0.986 424 Q CA 2.181 57.968 55.803 -0.028 0.000 0.843 424 Q CB -0.193 28.585 28.738 0.067 0.000 0.904 424 Q HN 0.390 nan 8.270 nan 0.000 0.420 425 I N 0.167 120.474 120.570 -0.439 0.000 2.179 425 I HA -0.285 3.886 4.170 0.001 0.000 0.242 425 I C 2.303 178.316 176.117 -0.173 0.000 1.088 425 I CA 0.635 61.670 61.300 -0.442 0.000 1.357 425 I CB -0.292 37.431 38.000 -0.462 0.000 1.051 425 I HN 0.240 nan 8.210 nan 0.000 0.409 426 L N 1.066 122.262 121.223 -0.044 0.000 1.990 426 L HA -0.285 4.056 4.340 0.001 0.000 0.213 426 L C 1.960 178.908 176.870 0.130 0.000 1.072 426 L CA 2.135 57.041 54.840 0.110 0.000 0.755 426 L CB -0.818 41.271 42.059 0.050 0.000 0.889 426 L HN 0.197 nan 8.230 nan 0.000 0.432 427 D N -0.408 120.066 120.400 0.123 0.000 2.144 427 D HA -0.137 4.503 4.640 0.001 0.000 0.199 427 D C 1.203 177.547 176.300 0.073 0.000 0.984 427 D CA 0.753 54.849 54.000 0.160 0.000 0.834 427 D CB -0.085 40.810 40.800 0.158 0.000 0.955 427 D HN 0.587 nan 8.370 nan 0.000 0.465 431 E N 1.765 121.987 120.200 0.036 0.000 2.072 431 E HA -0.099 4.252 4.350 0.001 0.000 0.191 431 E C 1.885 178.369 176.600 -0.193 0.000 0.985 431 E CA 2.023 58.369 56.400 -0.090 0.000 0.801 431 E CB 0.008 29.698 29.700 -0.017 0.000 0.750 431 E HN 0.440 nan 8.360 nan 0.000 0.452 432 A N -0.011 122.669 122.820 -0.233 0.000 1.972 432 A HA -0.159 4.162 4.320 0.001 0.000 0.219 432 A C 1.393 178.786 177.584 -0.317 0.000 1.169 432 A CA 1.689 53.523 52.037 -0.337 0.000 0.635 432 A CB -0.571 18.112 19.000 -0.528 0.000 0.810 432 A HN 0.413 nan 8.150 nan 0.000 0.446 433 H N -1.229 117.815 119.070 -0.044 0.000 2.486 433 H HA 0.221 4.777 4.556 0.000 0.000 0.284 433 H C 1.141 176.462 175.328 -0.011 0.000 1.103 433 H CA -0.091 56.009 56.048 0.087 0.000 1.089 433 H CB 0.128 30.015 29.762 0.210 0.000 1.603 433 H HN 0.522 nan 8.280 nan 0.000 0.557 434 K N 1.225 121.499 120.400 -0.210 0.000 2.066 434 K HA -0.261 4.060 4.320 0.001 0.000 0.221 434 K C 1.431 177.858 176.600 -0.289 0.000 1.056 434 K CA 2.079 58.005 56.287 -0.601 0.000 0.950 434 K CB 0.065 32.139 32.500 -0.711 0.000 0.726 434 K HN 0.466 nan 8.250 nan 0.000 0.456 435 E N -0.974 119.036 120.200 -0.317 0.000 2.267 435 E HA -0.183 4.167 4.350 0.001 0.000 0.197 435 E C 0.812 177.079 176.600 -0.554 0.000 0.998 435 E CA 1.116 57.221 56.400 -0.492 0.000 0.830 435 E CB -0.021 29.189 29.700 -0.817 0.000 0.751 435 E HN 0.497 nan 8.360 nan 0.000 0.491 436 Y N -0.694 119.666 120.300 0.100 0.000 2.681 436 Y HA 0.219 4.769 4.550 0.000 0.000 0.267 436 Y C 0.028 176.029 175.900 0.168 0.000 1.166 436 Y CA -0.478 57.695 58.100 0.122 0.000 1.209 436 Y CB 0.921 39.447 38.460 0.109 0.000 1.161 436 Y HN -0.074 nan 8.280 nan 0.000 0.534 437 L N 2.052 123.450 121.223 0.292 0.000 2.678 437 L HA 0.348 4.689 4.340 0.001 0.000 0.250 437 L C -1.891 175.217 176.870 0.398 0.000 1.455 437 L CA -2.092 52.991 54.840 0.404 0.000 0.823 437 L CB 0.946 43.322 42.059 0.528 0.000 1.107 437 L HN -0.121 nan 8.230 nan 0.000 0.514 438 P HA -0.167 nan 4.420 nan 0.000 0.225 438 P C 1.066 178.438 177.300 0.120 0.000 1.156 438 P CA 0.825 64.029 63.100 0.173 0.000 0.787 438 P CB 0.307 32.074 31.700 0.111 0.000 0.802 439 Q N -0.654 119.203 119.800 0.094 0.000 2.297 439 Q HA -0.067 4.274 4.340 0.001 0.000 0.204 439 Q C 1.389 177.254 176.000 -0.225 0.000 0.962 439 Q CA 1.292 57.044 55.803 -0.086 0.000 0.879 439 Q CB -0.942 27.696 28.738 -0.167 0.000 0.947 439 Q HN 0.241 nan 8.270 nan 0.000 0.462 440 F N -0.618 119.362 119.950 0.050 0.000 2.500 440 F HA 0.304 4.831 4.527 0.001 0.000 0.285 440 F C 0.280 175.902 175.800 -0.296 0.000 1.088 440 F CA -0.006 57.952 58.000 -0.070 0.000 1.432 440 F CB 0.634 39.666 39.000 0.052 0.000 1.131 440 F HN -0.148 nan 8.300 nan 0.000 0.582 441 F N 0.836 120.923 119.950 0.228 0.000 2.500 441 F HA 0.365 4.894 4.527 0.002 0.000 0.349 441 F C 0.815 176.660 175.800 0.075 0.000 1.127 441 F CA -1.182 56.896 58.000 0.130 0.000 0.998 441 F CB 1.126 40.199 39.000 0.120 0.000 1.237 441 F HN -0.348 nan 8.300 nan 0.000 0.439 442 K N 1.554 122.051 120.400 0.163 0.000 2.525 442 K HA 0.034 4.355 4.320 0.001 0.000 0.192 442 K C 0.746 177.402 176.600 0.093 0.000 1.029 442 K CA 0.213 56.560 56.287 0.099 0.000 1.029 442 K CB 0.135 32.660 32.500 0.042 0.000 0.814 442 K HN 0.663 nan 8.250 nan 0.000 0.503 443 Q N 0.061 119.938 119.800 0.128 0.000 2.407 443 Q HA 0.235 4.575 4.340 0.001 0.000 0.214 443 Q C -0.256 175.769 176.000 0.041 0.000 1.043 443 Q CA -0.096 55.757 55.803 0.083 0.000 0.983 443 Q CB 0.643 29.443 28.738 0.102 0.000 1.211 443 Q HN 0.250 nan 8.270 nan 0.000 0.564 444 A N 0.845 123.679 122.820 0.024 0.000 1.562 444 A HA -0.011 4.310 4.320 0.001 0.000 0.264 444 A C 0.449 178.028 177.584 -0.008 0.000 1.128 444 A CA 1.609 53.648 52.037 0.004 0.000 1.020 444 A CB -2.155 16.843 19.000 -0.003 0.000 1.050 444 A HN 1.076 nan 8.150 nan 0.000 0.248 445 K N 0.000 120.398 120.400 -0.003 0.000 2.780 445 K HA 0.000 4.321 4.320 0.001 0.000 0.191 445 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 445 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 445 K HN 0.000 nan 8.250 nan 0.000 0.543