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 2qde_1_B DATA FIRST_RESID 3 DATA SEQUENCE LKITKVEVIP ISTPMKXXXX XXXXXXXRID GVLLKLHSDE GLVGIADAGD DATA SEQUENCE TSSWYRGETQ DSITSMICDF FAPKVLLGED PTKIEKIVGR MDILTRDNNQ DATA SEQUENCE AKATVDFALH DLVGKRFGVP VYQLLGGKTI ERIPLGLVLG AGEPEAVAEE DATA SEQUENCE ALAVLREGFH FVKLKAGGPL KADIAMVAEV RRAVGDDVDL FIDINGAWTY DATA SEQUENCE DQALTTIRAL EKYNLSKIEQ PLPAWDLDGM ARLRGKVATP IYADESAQEL DATA SEQUENCE HDLLAIINKG AADGLMIKTQ KAGGLLKAQR WLTLARLANL PVICGCMVGS DATA SEQUENCE GLEASPAAHL LAANDWIAQF PQENAGPLHI HDCLNSRDID NDIALNVPRF DATA SEQUENCE EGGYLYPNDG PGLGIELNED LVRRLVTPGK AARVVT 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.870 176.870 -0.000 0.000 1.165 3 L CA 0.000 54.840 54.840 0.001 0.000 0.813 3 L CB 0.000 42.067 42.059 0.014 0.000 0.961 4 K N 0.612 121.014 120.400 0.002 0.000 2.535 4 K HA 0.558 4.878 4.320 -0.000 0.000 0.251 4 K C -1.316 175.290 176.600 0.011 0.000 0.942 4 K CA -0.584 55.706 56.287 0.005 0.000 0.798 4 K CB 1.629 34.134 32.500 0.009 0.000 1.267 4 K HN 0.081 nan 8.250 nan 0.000 0.434 5 I N 4.164 124.741 120.570 0.012 0.000 2.396 5 I HA 0.073 4.243 4.170 -0.000 0.000 0.289 5 I C 1.104 177.242 176.117 0.035 0.000 1.056 5 I CA -0.021 61.295 61.300 0.027 0.000 1.365 5 I CB 1.363 39.377 38.000 0.023 0.000 1.407 5 I HN 0.827 nan 8.210 nan 0.000 0.509 6 T N 1.634 116.217 114.554 0.049 0.000 2.985 6 T HA 0.206 4.556 4.350 -0.000 0.000 0.254 6 T C 0.350 175.069 174.700 0.031 0.000 1.021 6 T CA -0.256 61.864 62.100 0.033 0.000 0.957 6 T CB 0.323 69.204 68.868 0.021 0.000 1.047 6 T HN 0.523 nan 8.240 nan 0.000 0.511 7 K N 1.057 121.501 120.400 0.073 0.000 2.550 7 K HA 0.535 4.855 4.320 -0.000 0.000 0.252 7 K C -2.173 174.537 176.600 0.183 0.000 0.943 7 K CA -0.602 55.726 56.287 0.068 0.000 0.806 7 K CB 2.770 35.221 32.500 -0.082 0.000 1.289 7 K HN -0.006 nan 8.250 nan 0.000 0.435 8 V N 3.457 123.447 119.914 0.126 0.000 2.384 8 V HA 0.372 4.492 4.120 -0.000 0.000 0.287 8 V C -0.496 175.676 176.094 0.130 0.000 1.020 8 V CA -0.622 61.758 62.300 0.133 0.000 0.850 8 V CB 1.330 33.209 31.823 0.094 0.000 0.987 8 V HN 0.796 nan 8.190 nan 0.000 0.436 9 E N 4.190 124.487 120.200 0.161 0.000 2.224 9 E HA 0.643 4.993 4.350 -0.000 0.000 0.265 9 E C -1.850 174.807 176.600 0.095 0.000 0.878 9 E CA -0.512 55.971 56.400 0.138 0.000 0.759 9 E CB 2.203 32.044 29.700 0.235 0.000 1.164 9 E HN 0.453 nan 8.360 nan 0.000 0.414 10 V N 6.453 126.411 119.914 0.073 0.000 2.409 10 V HA 0.412 4.532 4.120 -0.000 0.000 0.291 10 V C -0.175 175.950 176.094 0.052 0.000 1.020 10 V CA -0.597 61.739 62.300 0.060 0.000 0.848 10 V CB 1.357 33.212 31.823 0.053 0.000 0.990 10 V HN 0.661 nan 8.190 nan 0.000 0.430 11 I N 7.677 128.277 120.570 0.051 0.000 2.355 11 I HA 0.387 4.557 4.170 -0.000 0.000 0.288 11 I C -2.383 173.758 176.117 0.039 0.000 0.999 11 I CA -1.982 59.344 61.300 0.044 0.000 1.163 11 I CB 2.460 40.488 38.000 0.046 0.000 1.316 11 I HN 0.406 nan 8.210 nan 0.000 0.454 12 P HA 0.322 nan 4.420 nan 0.000 0.287 12 P C -0.888 176.428 177.300 0.027 0.000 1.294 12 P CA -0.072 63.046 63.100 0.029 0.000 0.776 12 P CB 0.922 32.637 31.700 0.024 0.000 0.889 13 I N -0.375 120.212 120.570 0.028 0.000 2.785 13 I HA 0.656 4.826 4.170 -0.000 0.000 0.302 13 I C -0.674 175.454 176.117 0.019 0.000 1.069 13 I CA -1.030 60.285 61.300 0.025 0.000 1.045 13 I CB 2.494 40.512 38.000 0.029 0.000 1.236 13 I HN 0.029 nan 8.210 nan 0.000 0.429 14 S N 2.293 118.002 115.700 0.015 0.000 2.659 14 S HA 0.508 4.978 4.470 -0.000 0.000 0.312 14 S C -0.522 174.081 174.600 0.005 0.000 1.114 14 S CA -0.529 57.677 58.200 0.009 0.000 1.063 14 S CB 1.688 64.894 63.200 0.009 0.000 0.996 14 S HN 0.708 nan 8.310 nan 0.000 0.478 15 T N 5.049 119.601 114.554 -0.003 0.000 2.772 15 T HA 0.442 4.792 4.350 -0.000 0.000 0.288 15 T C -2.603 172.079 174.700 -0.030 0.000 0.994 15 T CA -1.478 60.613 62.100 -0.015 0.000 0.951 15 T CB 1.130 69.985 68.868 -0.022 0.000 0.933 15 T HN 0.215 nan 8.240 nan 0.000 0.447 16 P HA 0.187 nan 4.420 nan 0.000 0.269 16 P C -0.155 177.108 177.300 -0.061 0.000 1.209 16 P CA -0.408 62.673 63.100 -0.032 0.000 0.776 16 P CB 0.472 32.161 31.700 -0.018 0.000 0.876 17 M N 2.446 122.012 119.600 -0.055 0.000 2.277 17 M HA 0.243 4.723 4.480 -0.000 0.000 0.350 17 M C 0.568 176.833 176.300 -0.058 0.000 1.180 17 M CA -0.048 55.209 55.300 -0.072 0.000 1.103 17 M CB 0.265 32.833 32.600 -0.054 0.000 1.577 17 M HN 0.489 nan 8.290 nan 0.000 0.459 31 I N 2.201 122.762 120.570 -0.015 0.000 2.312 31 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 31 I C -0.589 175.527 176.117 -0.001 0.000 1.008 31 I CA -0.537 60.756 61.300 -0.011 0.000 1.226 31 I CB 1.342 39.331 38.000 -0.020 0.000 1.371 31 I HN 0.614 nan 8.210 nan 0.000 0.468 32 D N 6.137 126.539 120.400 0.004 0.000 2.359 32 D HA 0.534 5.174 4.640 -0.000 0.000 0.230 32 D C 0.492 176.800 176.300 0.014 0.000 1.118 32 D CA 0.156 54.163 54.000 0.010 0.000 0.844 32 D CB 2.225 43.032 40.800 0.012 0.000 1.059 32 D HN 0.761 nan 8.370 nan 0.000 0.493 33 G N 0.254 109.066 108.800 0.020 0.000 3.222 33 G HA2 0.661 4.621 3.960 -0.000 0.000 0.263 33 G HA3 0.661 4.621 3.960 -0.000 0.000 0.263 33 G C -1.167 173.754 174.900 0.035 0.000 1.312 33 G CA -0.439 44.679 45.100 0.029 0.000 0.934 33 G HN 0.325 nan 8.290 nan 0.000 0.577 34 V N -0.065 119.877 119.914 0.046 0.000 2.932 34 V HA 0.512 4.632 4.120 -0.000 0.000 0.307 34 V C -0.798 175.333 176.094 0.062 0.000 1.147 34 V CA -0.563 61.767 62.300 0.050 0.000 0.951 34 V CB 2.037 33.889 31.823 0.048 0.000 1.031 34 V HN 0.591 nan 8.190 nan 0.000 0.426 35 L N 4.323 125.581 121.223 0.058 0.000 2.334 35 L HA 0.677 5.017 4.340 -0.000 0.000 0.273 35 L C -1.019 175.888 176.870 0.062 0.000 1.013 35 L CA -0.795 54.083 54.840 0.063 0.000 0.816 35 L CB 1.891 43.981 42.059 0.053 0.000 1.278 35 L HN 0.462 nan 8.230 nan 0.000 0.431 36 L N 2.881 124.142 121.223 0.063 0.000 2.365 36 L HA 0.506 4.846 4.340 -0.000 0.000 0.273 36 L C -1.101 175.781 176.870 0.020 0.000 1.000 36 L CA -0.222 54.651 54.840 0.055 0.000 0.819 36 L CB 1.629 43.728 42.059 0.067 0.000 1.284 36 L HN 0.438 nan 8.230 nan 0.000 0.418 37 K N 6.195 126.594 120.400 -0.001 0.000 2.502 37 K HA 0.515 4.835 4.320 -0.000 0.000 0.254 37 K C -1.476 175.045 176.600 -0.132 0.000 0.947 37 K CA -0.486 55.725 56.287 -0.125 0.000 0.834 37 K CB 1.762 34.143 32.500 -0.198 0.000 1.112 37 K HN 0.557 nan 8.250 nan 0.000 0.427 38 L N 4.752 125.886 121.223 -0.148 0.000 2.283 38 L HA 0.313 4.653 4.340 -0.000 0.000 0.281 38 L C -0.555 176.249 176.870 -0.110 0.000 1.033 38 L CA -0.828 53.978 54.840 -0.056 0.000 0.848 38 L CB 0.181 42.225 42.059 -0.025 0.000 1.226 38 L HN 0.529 nan 8.230 nan 0.000 0.429 39 H N 0.623 119.697 119.070 0.007 0.000 2.646 39 H HA 0.314 4.870 4.556 -0.000 0.000 0.325 39 H C 0.382 175.708 175.328 -0.003 0.000 1.075 39 H CA -0.230 55.820 56.048 0.002 0.000 1.421 39 H CB 1.112 30.877 29.762 0.005 0.000 1.461 39 H HN 0.553 nan 8.280 nan 0.000 0.525 40 S N 0.860 116.619 115.700 0.097 0.000 2.690 40 S HA 0.108 4.578 4.470 -0.000 0.000 0.291 40 S C 0.645 175.276 174.600 0.052 0.000 1.138 40 S CA -0.753 57.477 58.200 0.051 0.000 1.013 40 S CB 1.279 64.486 63.200 0.012 0.000 1.053 40 S HN 0.734 nan 8.310 nan 0.000 0.539 41 D N -0.555 119.864 120.400 0.032 0.000 2.378 41 D HA -0.035 4.605 4.640 -0.000 0.000 0.227 41 D C 0.285 176.598 176.300 0.022 0.000 1.012 41 D CA 0.538 54.553 54.000 0.025 0.000 0.905 41 D CB -0.368 40.443 40.800 0.017 0.000 0.895 41 D HN 0.774 nan 8.370 nan 0.000 0.532 42 E N -0.447 119.766 120.200 0.021 0.000 3.105 42 E HA 0.413 4.763 4.350 -0.000 0.000 0.219 42 E C 0.861 177.473 176.600 0.020 0.000 1.064 42 E CA -0.100 56.310 56.400 0.018 0.000 1.342 42 E CB 0.502 30.211 29.700 0.015 0.000 1.295 42 E HN 0.262 nan 8.360 nan 0.000 0.438 43 G N 0.953 109.770 108.800 0.028 0.000 2.779 43 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.230 43 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.230 43 G C 0.484 175.402 174.900 0.030 0.000 1.243 43 G CA 0.098 45.218 45.100 0.032 0.000 0.769 43 G HN 0.330 nan 8.290 nan 0.000 0.516 44 L N 1.204 122.434 121.223 0.011 0.000 2.514 44 L HA 0.431 4.770 4.340 -0.000 0.000 0.280 44 L C 0.382 177.240 176.870 -0.020 0.000 1.223 44 L CA -0.122 54.712 54.840 -0.009 0.000 0.864 44 L CB 0.915 42.957 42.059 -0.027 0.000 1.118 44 L HN 0.115 nan 8.230 nan 0.000 0.494 45 V N 1.706 121.589 119.914 -0.052 0.000 2.588 45 V HA 0.520 4.640 4.120 -0.000 0.000 0.304 45 V C 0.464 176.490 176.094 -0.114 0.000 1.042 45 V CA -0.633 61.593 62.300 -0.124 0.000 0.877 45 V CB 1.727 33.433 31.823 -0.194 0.000 0.996 45 V HN 0.874 nan 8.190 nan 0.000 0.425 46 G N 4.724 113.453 108.800 -0.118 0.000 2.332 46 G HA2 0.715 4.675 3.960 -0.000 0.000 0.310 46 G HA3 0.715 4.675 3.960 -0.000 0.000 0.310 46 G C -0.570 174.289 174.900 -0.068 0.000 1.123 46 G CA -0.411 44.643 45.100 -0.076 0.000 0.873 46 G HN 0.884 nan 8.290 nan 0.000 0.460 47 I N -0.215 120.338 120.570 -0.029 0.000 2.846 47 I HA 0.971 5.141 4.170 -0.000 0.000 0.307 47 I C -0.245 175.904 176.117 0.054 0.000 1.053 47 I CA -1.375 59.923 61.300 -0.003 0.000 1.050 47 I CB 2.605 40.599 38.000 -0.010 0.000 1.239 47 I HN 0.693 nan 8.210 nan 0.000 0.439 48 A N 2.590 125.459 122.820 0.082 0.000 2.608 48 A HA 0.615 4.935 4.320 -0.000 0.000 0.292 48 A C -2.123 175.546 177.584 0.142 0.000 1.066 48 A CA -0.443 51.686 52.037 0.154 0.000 0.676 48 A CB 1.781 20.939 19.000 0.264 0.000 1.277 48 A HN 0.778 nan 8.150 nan 0.000 0.413 49 D N 0.759 121.260 120.400 0.168 0.000 2.505 49 D HA 0.598 5.238 4.640 -0.000 0.000 0.250 49 D C 0.876 177.292 176.300 0.193 0.000 1.164 49 D CA 0.284 54.365 54.000 0.135 0.000 0.870 49 D CB 1.762 42.615 40.800 0.088 0.000 1.160 49 D HN 0.671 nan 8.370 nan 0.000 0.549 50 A N 2.963 125.886 122.820 0.171 0.000 2.024 50 A HA 0.371 4.691 4.320 -0.000 0.000 0.220 50 A C 1.408 179.082 177.584 0.150 0.000 1.164 50 A CA 1.483 53.627 52.037 0.177 0.000 0.643 50 A CB -0.953 18.108 19.000 0.103 0.000 0.806 50 A HN 1.193 nan 8.150 nan 0.000 0.451 51 G N -1.042 107.819 108.800 0.102 0.000 2.660 51 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.247 51 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.247 51 G C -0.508 174.415 174.900 0.039 0.000 1.328 51 G CA -0.051 45.089 45.100 0.067 0.000 0.884 51 G HN 0.686 nan 8.290 nan 0.000 0.531 52 D N 0.069 120.477 120.400 0.013 0.000 2.390 52 D HA 0.466 5.106 4.640 -0.000 0.000 0.236 52 D C 1.206 177.499 176.300 -0.012 0.000 1.189 52 D CA 1.221 55.217 54.000 -0.007 0.000 0.887 52 D CB 0.457 41.238 40.800 -0.031 0.000 1.198 52 D HN 0.977 nan 8.370 nan 0.000 0.444 53 T N -0.790 113.754 114.554 -0.017 0.000 2.823 53 T HA 0.565 4.914 4.350 -0.000 0.000 0.279 53 T C -0.390 174.275 174.700 -0.057 0.000 0.998 53 T CA -1.001 61.085 62.100 -0.024 0.000 0.994 53 T CB 1.388 70.253 68.868 -0.005 0.000 0.960 53 T HN 0.172 nan 8.240 nan 0.000 0.448 54 S N 1.222 116.859 115.700 -0.105 0.000 2.707 54 S HA 0.420 4.890 4.470 -0.000 0.000 0.303 54 S C 1.330 175.813 174.600 -0.195 0.000 1.132 54 S CA -0.181 57.886 58.200 -0.222 0.000 1.046 54 S CB 1.131 64.043 63.200 -0.480 0.000 1.004 54 S HN 0.953 nan 8.310 nan 0.000 0.483 55 S N 5.436 121.095 115.700 -0.068 0.000 2.368 55 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 55 S C 1.892 176.524 174.600 0.052 0.000 1.030 55 S CA 1.116 59.330 58.200 0.023 0.000 0.999 55 S CB -0.724 62.541 63.200 0.108 0.000 0.844 55 S HN 0.969 nan 8.310 nan 0.000 0.459 56 W N 0.117 121.463 121.300 0.078 0.000 2.453 56 W HA 0.073 4.733 4.660 -0.000 0.000 0.289 56 W C 2.068 178.653 176.519 0.109 0.000 1.215 56 W CA 0.505 57.900 57.345 0.083 0.000 1.297 56 W CB -1.071 28.435 29.460 0.077 0.000 1.113 56 W HN 0.364 nan 8.180 nan 0.000 0.551 57 Y N 2.134 121.929 120.300 -0.843 0.000 2.231 57 Y HA -0.001 4.549 4.550 -0.000 0.000 0.294 57 Y C 2.933 178.662 175.900 -0.285 0.000 1.120 57 Y CA 2.721 60.414 58.100 -0.678 0.000 1.141 57 Y CB -0.386 37.376 38.460 -1.164 0.000 1.022 57 Y HN -0.167 nan 8.280 nan 0.000 0.523 58 R N -0.764 119.612 120.500 -0.207 0.000 2.225 58 R HA 0.272 4.612 4.340 -0.000 0.000 0.194 58 R C 1.296 177.544 176.300 -0.088 0.000 0.949 58 R CA 1.121 57.133 56.100 -0.147 0.000 1.088 58 R CB 0.356 30.638 30.300 -0.030 0.000 1.106 58 R HN 0.350 nan 8.270 nan 0.000 0.566 59 G N 0.330 109.091 108.800 -0.064 0.000 2.157 59 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.248 59 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.248 59 G C -0.463 174.427 174.900 -0.016 0.000 0.979 59 G CA 0.418 45.505 45.100 -0.022 0.000 0.650 59 G HN 0.411 nan 8.290 nan 0.000 0.529 60 E N 0.297 120.485 120.200 -0.021 0.000 2.212 60 E HA 0.672 5.022 4.350 -0.000 0.000 0.270 60 E C 0.370 176.967 176.600 -0.005 0.000 0.956 60 E CA -0.106 56.288 56.400 -0.011 0.000 0.825 60 E CB 1.694 31.391 29.700 -0.006 0.000 1.167 60 E HN 0.392 nan 8.360 nan 0.000 0.400 61 T N -1.936 112.618 114.554 0.001 0.000 2.864 61 T HA 0.183 4.533 4.350 -0.000 0.000 0.289 61 T C 0.866 175.572 174.700 0.010 0.000 1.082 61 T CA -0.732 61.371 62.100 0.006 0.000 1.009 61 T CB 1.439 70.313 68.868 0.009 0.000 1.234 61 T HN 0.384 nan 8.240 nan 0.000 0.526 62 Q N 0.094 119.902 119.800 0.014 0.000 2.077 62 Q HA -0.175 4.165 4.340 -0.000 0.000 0.206 62 Q C 1.503 177.512 176.000 0.015 0.000 0.989 62 Q CA 2.184 57.997 55.803 0.017 0.000 0.853 62 Q CB -0.261 28.488 28.738 0.018 0.000 0.907 62 Q HN 0.662 nan 8.270 nan 0.000 0.418 63 D N -0.183 120.224 120.400 0.013 0.000 2.144 63 D HA -0.084 4.555 4.640 -0.000 0.000 0.199 63 D C 2.042 178.346 176.300 0.006 0.000 0.984 63 D CA 0.973 54.980 54.000 0.011 0.000 0.834 63 D CB -0.180 40.626 40.800 0.011 0.000 0.955 63 D HN 0.056 nan 8.370 nan 0.000 0.465 64 S N 0.471 116.172 115.700 0.001 0.000 2.351 64 S HA -0.111 4.359 4.470 -0.000 0.000 0.220 64 S C 2.224 176.813 174.600 -0.019 0.000 1.035 64 S CA 0.659 58.852 58.200 -0.011 0.000 1.031 64 S CB -0.250 62.942 63.200 -0.015 0.000 0.928 64 S HN 0.260 nan 8.310 nan 0.000 0.433 65 I N 1.398 121.965 120.570 -0.005 0.000 2.163 65 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 65 I C 2.525 178.645 176.117 0.005 0.000 1.085 65 I CA 1.259 62.561 61.300 0.004 0.000 1.347 65 I CB -0.946 37.069 38.000 0.025 0.000 1.044 65 I HN 0.290 nan 8.210 nan 0.000 0.408 66 T N -0.434 114.128 114.554 0.013 0.000 2.746 66 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 66 T C 2.114 176.818 174.700 0.007 0.000 1.039 66 T CA 1.895 64.005 62.100 0.017 0.000 1.142 66 T CB -0.251 68.628 68.868 0.019 0.000 0.866 66 T HN 0.329 nan 8.240 nan 0.000 0.444 67 S N 0.441 116.144 115.700 0.005 0.000 2.355 67 S HA -0.094 4.376 4.470 -0.000 0.000 0.222 67 S C 2.098 176.721 174.600 0.038 0.000 1.031 67 S CA 1.234 59.448 58.200 0.022 0.000 0.993 67 S CB -0.350 62.875 63.200 0.042 0.000 0.859 67 S HN 0.269 nan 8.310 nan 0.000 0.453 68 M N 1.650 121.221 119.600 -0.048 0.000 2.086 68 M HA 0.056 4.536 4.480 -0.000 0.000 0.261 68 M C 1.721 177.788 176.300 -0.389 0.000 1.067 68 M CA 1.551 56.707 55.300 -0.240 0.000 1.116 68 M CB -0.708 31.624 32.600 -0.446 0.000 1.348 68 M HN 0.424 nan 8.290 nan 0.000 0.407 69 I N -1.233 119.225 120.570 -0.185 0.000 2.142 69 I HA -0.369 3.801 4.170 -0.000 0.000 0.240 69 I C 2.238 178.387 176.117 0.053 0.000 1.078 69 I CA 1.273 62.587 61.300 0.024 0.000 1.343 69 I CB -0.546 37.528 38.000 0.123 0.000 1.046 69 I HN 0.336 nan 8.210 nan 0.000 0.405 70 C N 0.330 119.641 119.300 0.019 0.000 2.466 70 C HA -0.096 4.364 4.460 -0.000 0.000 0.278 70 C C 2.269 177.229 174.990 -0.049 0.000 1.288 70 C CA 0.532 59.553 59.018 0.006 0.000 1.722 70 C CB -0.854 26.887 27.740 0.001 0.000 2.017 70 C HN 0.515 nan 8.230 nan 0.000 0.488 71 D N -0.731 119.609 120.400 -0.099 0.000 2.333 71 D HA 0.071 4.710 4.640 -0.000 0.000 0.208 71 D C 1.362 177.317 176.300 -0.576 0.000 0.984 71 D CA 1.064 54.875 54.000 -0.315 0.000 0.873 71 D CB 0.101 40.672 40.800 -0.381 0.000 0.935 71 D HN 0.450 nan 8.370 nan 0.000 0.521 72 F N -0.958 118.922 119.950 -0.116 0.000 2.423 72 F HA 0.099 4.626 4.527 -0.000 0.000 0.269 72 F C 1.815 177.654 175.800 0.066 0.000 0.880 72 F CA -0.343 57.603 58.000 -0.089 0.000 1.134 72 F CB -0.389 38.472 39.000 -0.231 0.000 1.143 72 F HN -0.260 nan 8.300 nan 0.000 0.802 73 F N 1.357 121.430 119.950 0.205 0.000 2.095 73 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 73 F C 2.543 178.379 175.800 0.060 0.000 1.104 73 F CA 0.909 58.972 58.000 0.105 0.000 1.232 73 F CB -1.699 37.344 39.000 0.071 0.000 0.987 73 F HN 0.002 nan 8.300 nan 0.000 0.475 74 A N 1.134 124.096 122.820 0.236 0.000 1.841 74 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 74 A C 0.129 177.762 177.584 0.083 0.000 1.199 74 A CA 2.160 54.274 52.037 0.128 0.000 0.621 74 A CB -2.224 16.825 19.000 0.081 0.000 0.835 74 A HN 0.287 nan 8.150 nan 0.000 0.445 75 P HA -0.122 nan 4.420 nan 0.000 0.217 75 P C 0.817 178.144 177.300 0.044 0.000 1.151 75 P CA 1.213 64.326 63.100 0.022 0.000 0.828 75 P CB -0.056 31.627 31.700 -0.028 0.000 0.788 76 K N -0.662 119.787 120.400 0.082 0.000 2.243 76 K HA 0.103 4.423 4.320 -0.000 0.000 0.201 76 K C 1.889 178.548 176.600 0.098 0.000 1.051 76 K CA 0.672 57.018 56.287 0.099 0.000 0.970 76 K CB -0.130 32.460 32.500 0.151 0.000 0.755 76 K HN 0.161 nan 8.250 nan 0.000 0.465 77 V N -0.164 119.818 119.914 0.113 0.000 3.159 77 V HA 0.051 4.171 4.120 -0.000 0.000 0.234 77 V C 1.947 178.065 176.094 0.040 0.000 1.313 77 V CA 0.174 62.515 62.300 0.068 0.000 1.271 77 V CB 0.068 31.922 31.823 0.051 0.000 1.053 77 V HN -0.024 nan 8.190 nan 0.000 0.476 78 L N 0.054 121.313 121.223 0.060 0.000 2.049 78 L HA 0.137 4.477 4.340 -0.000 0.000 0.203 78 L C 0.864 177.754 176.870 0.034 0.000 1.074 78 L CA 0.835 55.699 54.840 0.039 0.000 0.749 78 L CB -0.264 41.833 42.059 0.062 0.000 0.907 78 L HN 0.176 nan 8.230 nan 0.000 0.439 79 L N 1.339 122.587 121.223 0.042 0.000 2.584 79 L HA 0.025 4.365 4.340 -0.000 0.000 0.272 79 L C 1.258 178.142 176.870 0.022 0.000 1.195 79 L CA 0.753 55.612 54.840 0.032 0.000 0.920 79 L CB -0.094 41.983 42.059 0.029 0.000 1.173 79 L HN 0.517 nan 8.230 nan 0.000 0.489 80 G N 2.269 111.080 108.800 0.018 0.000 2.176 80 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.253 80 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.253 80 G C 0.129 175.035 174.900 0.010 0.000 0.979 80 G CA 0.295 45.403 45.100 0.013 0.000 0.641 80 G HN 0.615 nan 8.290 nan 0.000 0.530 81 E N 0.907 121.112 120.200 0.008 0.000 2.283 81 E HA 0.513 4.863 4.350 -0.000 0.000 0.267 81 E C -0.318 176.279 176.600 -0.005 0.000 1.045 81 E CA -0.787 55.614 56.400 0.001 0.000 0.884 81 E CB 0.778 30.476 29.700 -0.002 0.000 1.106 81 E HN 0.077 nan 8.360 nan 0.000 0.408 82 D N 3.762 124.157 120.400 -0.008 0.000 2.325 82 D HA 0.091 4.731 4.640 -0.000 0.000 0.251 82 D C -1.656 174.623 176.300 -0.034 0.000 1.196 82 D CA -2.011 51.980 54.000 -0.014 0.000 0.866 82 D CB 1.265 42.063 40.800 -0.002 0.000 1.101 82 D HN 0.274 nan 8.370 nan 0.000 0.476 83 P HA -0.142 nan 4.420 nan 0.000 0.225 83 P C 1.043 178.269 177.300 -0.123 0.000 1.148 83 P CA 0.993 64.041 63.100 -0.087 0.000 0.779 83 P CB -0.030 31.611 31.700 -0.097 0.000 0.780 84 T N -2.980 111.513 114.554 -0.101 0.000 3.055 84 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 84 T C 1.180 175.848 174.700 -0.054 0.000 1.111 84 T CA 0.414 62.458 62.100 -0.093 0.000 1.118 84 T CB -0.658 68.218 68.868 0.014 0.000 0.909 84 T HN 0.131 nan 8.240 nan 0.000 0.501 85 K N 1.397 121.770 120.400 -0.045 0.000 2.737 85 K HA 0.346 4.666 4.320 -0.000 0.000 0.251 85 K C 0.704 177.271 176.600 -0.056 0.000 1.280 85 K CA -0.242 56.026 56.287 -0.033 0.000 1.219 85 K CB -0.283 32.205 32.500 -0.020 0.000 1.587 85 K HN 0.424 nan 8.250 nan 0.000 0.279 86 I N 0.628 121.149 120.570 -0.081 0.000 2.202 86 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 86 I C 2.194 178.280 176.117 -0.051 0.000 1.091 86 I CA 1.150 62.390 61.300 -0.100 0.000 1.368 86 I CB -0.040 37.849 38.000 -0.185 0.000 1.058 86 I HN 0.442 nan 8.210 nan 0.000 0.410 87 E N 1.041 121.226 120.200 -0.025 0.000 2.085 87 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 87 E C 2.108 178.699 176.600 -0.016 0.000 0.994 87 E CA 1.273 57.670 56.400 -0.005 0.000 0.801 87 E CB -0.168 29.537 29.700 0.008 0.000 0.743 87 E HN 0.447 nan 8.360 nan 0.000 0.453 88 K N 0.855 121.243 120.400 -0.021 0.000 2.001 88 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 88 K C 2.298 178.875 176.600 -0.038 0.000 1.048 88 K CA 0.990 57.264 56.287 -0.022 0.000 0.932 88 K CB -0.140 32.350 32.500 -0.016 0.000 0.715 88 K HN 0.009 nan 8.250 nan 0.000 0.437 89 I N 0.968 121.505 120.570 -0.054 0.000 2.163 89 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 89 I C 2.317 178.363 176.117 -0.119 0.000 1.085 89 I CA 1.018 62.267 61.300 -0.084 0.000 1.347 89 I CB -0.262 37.681 38.000 -0.095 0.000 1.044 89 I HN 0.014 nan 8.210 nan 0.000 0.408 90 V N 1.176 121.031 119.914 -0.099 0.000 2.332 90 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 90 V C 2.573 178.617 176.094 -0.083 0.000 1.055 90 V CA 2.295 64.534 62.300 -0.102 0.000 1.038 90 V CB -1.442 30.354 31.823 -0.046 0.000 0.651 90 V HN 0.609 nan 8.190 nan 0.000 0.450 91 G N -0.413 108.358 108.800 -0.049 0.000 2.421 91 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 91 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 91 G C 1.730 176.610 174.900 -0.033 0.000 1.171 91 G CA 0.616 45.698 45.100 -0.029 0.000 0.775 91 G HN 0.437 nan 8.290 nan 0.000 0.543 92 R N -0.438 120.037 120.500 -0.042 0.000 2.096 92 R HA 0.082 4.422 4.340 -0.000 0.000 0.235 92 R C 2.727 179.005 176.300 -0.036 0.000 1.127 92 R CA 1.198 57.283 56.100 -0.025 0.000 0.968 92 R CB -0.357 29.932 30.300 -0.018 0.000 0.861 92 R HN 0.355 nan 8.270 nan 0.000 0.440 93 M N 0.511 120.026 119.600 -0.141 0.000 2.159 93 M HA -0.165 4.314 4.480 -0.000 0.000 0.263 93 M C 1.242 177.515 176.300 -0.044 0.000 1.063 93 M CA 1.450 56.602 55.300 -0.246 0.000 1.110 93 M CB -0.250 31.942 32.600 -0.681 0.000 1.374 93 M HN 0.023 nan 8.290 nan 0.000 0.411 94 D N 0.451 120.825 120.400 -0.043 0.000 2.178 94 D HA -0.076 4.564 4.640 -0.000 0.000 0.202 94 D C 1.907 178.222 176.300 0.025 0.000 0.974 94 D CA 1.054 55.057 54.000 0.006 0.000 0.841 94 D CB -0.028 40.773 40.800 0.001 0.000 0.953 94 D HN 0.251 nan 8.370 nan 0.000 0.478 95 I N 0.440 121.023 120.570 0.022 0.000 2.353 95 I HA -0.141 4.029 4.170 -0.000 0.000 0.248 95 I C 2.324 178.467 176.117 0.043 0.000 1.119 95 I CA 0.496 61.812 61.300 0.027 0.000 1.417 95 I CB -0.775 37.239 38.000 0.023 0.000 1.078 95 I HN 0.048 nan 8.210 nan 0.000 0.421 96 L N 0.134 121.402 121.223 0.074 0.000 2.056 96 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 96 L C 0.605 177.513 176.870 0.064 0.000 1.078 96 L CA 1.620 56.523 54.840 0.105 0.000 0.749 96 L CB -0.286 41.896 42.059 0.206 0.000 0.901 96 L HN 0.107 nan 8.230 nan 0.000 0.433 97 T N 0.585 115.198 114.554 0.099 0.000 2.886 97 T HA 0.356 4.706 4.350 -0.000 0.000 0.292 97 T C -0.660 174.059 174.700 0.033 0.000 1.012 97 T CA -0.602 61.518 62.100 0.033 0.000 0.982 97 T CB 2.247 71.169 68.868 0.090 0.000 1.018 97 T HN 0.106 nan 8.240 nan 0.000 0.451 98 R N 2.445 122.936 120.500 -0.014 0.000 2.410 98 R HA 0.308 4.648 4.340 -0.000 0.000 0.288 98 R C -0.211 176.092 176.300 0.004 0.000 1.051 98 R CA 0.014 56.114 56.100 -0.000 0.000 1.021 98 R CB 0.273 30.562 30.300 -0.017 0.000 1.032 98 R HN 0.824 nan 8.270 nan 0.000 0.481 99 D N 1.995 122.409 120.400 0.024 0.000 3.307 99 D HA -0.332 4.308 4.640 -0.000 0.000 0.197 99 D C -0.335 175.983 176.300 0.031 0.000 1.363 99 D CA 1.451 55.464 54.000 0.022 0.000 1.100 99 D CB -0.452 40.350 40.800 0.004 0.000 0.616 99 D HN 0.940 nan 8.370 nan 0.000 0.719 100 N N 0.599 119.308 118.700 0.016 0.000 2.747 100 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 100 N C 0.480 176.024 175.510 0.057 0.000 1.107 100 N CA 0.944 54.012 53.050 0.030 0.000 0.707 100 N CB -1.353 37.155 38.487 0.035 0.000 1.054 100 N HN 0.339 nan 8.380 nan 0.000 0.555 101 N N 1.040 119.757 118.700 0.028 0.000 2.094 101 N HA -0.202 4.538 4.740 -0.000 0.000 0.191 101 N C 1.808 177.314 175.510 -0.007 0.000 1.023 101 N CA 1.643 54.702 53.050 0.013 0.000 0.857 101 N CB -0.184 38.307 38.487 0.007 0.000 1.013 101 N HN 0.565 nan 8.380 nan 0.000 0.426 102 Q N 0.034 119.835 119.800 0.003 0.000 2.124 102 Q HA -0.036 4.304 4.340 -0.000 0.000 0.202 102 Q C 1.898 177.888 176.000 -0.015 0.000 0.977 102 Q CA 1.488 57.289 55.803 -0.003 0.000 0.850 102 Q CB -0.107 28.646 28.738 0.024 0.000 0.901 102 Q HN 0.428 nan 8.270 nan 0.000 0.429 103 A N 1.134 123.977 122.820 0.038 0.000 1.877 103 A HA -0.212 4.107 4.320 -0.000 0.000 0.216 103 A C 1.953 179.611 177.584 0.123 0.000 1.186 103 A CA 1.727 53.825 52.037 0.102 0.000 0.620 103 A CB -0.410 18.677 19.000 0.145 0.000 0.822 103 A HN 0.345 nan 8.150 nan 0.000 0.443 104 K N -0.202 120.268 120.400 0.118 0.000 2.063 104 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 104 K C 2.297 178.771 176.600 -0.211 0.000 1.048 104 K CA 1.196 57.451 56.287 -0.054 0.000 0.928 104 K CB -0.374 32.085 32.500 -0.068 0.000 0.713 104 K HN 0.444 nan 8.250 nan 0.000 0.442 105 A N 1.113 123.763 122.820 -0.283 0.000 1.908 105 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 105 A C 2.248 179.152 177.584 -1.133 0.000 1.181 105 A CA 2.137 53.776 52.037 -0.662 0.000 0.627 105 A CB -1.053 17.618 19.000 -0.550 0.000 0.818 105 A HN 0.281 nan 8.150 nan 0.000 0.445 106 T N -0.250 113.946 114.554 -0.598 0.000 2.684 106 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 106 T C 1.881 176.474 174.700 -0.179 0.000 1.036 106 T CA 1.637 63.550 62.100 -0.311 0.000 1.148 106 T CB -0.527 68.321 68.868 -0.034 0.000 0.863 106 T HN 0.164 nan 8.240 nan 0.000 0.436 107 V N 2.272 122.104 119.914 -0.136 0.000 2.261 107 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 107 V C 2.565 178.612 176.094 -0.078 0.000 1.047 107 V CA 1.975 64.233 62.300 -0.070 0.000 1.015 107 V CB -0.638 31.130 31.823 -0.091 0.000 0.642 107 V HN 0.588 nan 8.190 nan 0.000 0.446 108 D N -0.110 120.195 120.400 -0.157 0.000 2.116 108 D HA -0.231 4.409 4.640 -0.000 0.000 0.193 108 D C 2.072 178.503 176.300 0.217 0.000 0.998 108 D CA 1.758 55.749 54.000 -0.015 0.000 0.836 108 D CB -0.095 40.650 40.800 -0.091 0.000 0.951 108 D HN 0.379 nan 8.370 nan 0.000 0.449 109 F N 1.607 121.606 119.950 0.082 0.000 2.095 109 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 109 F C 2.807 178.643 175.800 0.060 0.000 1.104 109 F CA 0.792 58.824 58.000 0.053 0.000 1.232 109 F CB -1.502 37.511 39.000 0.021 0.000 0.987 109 F HN 0.016 nan 8.300 nan 0.000 0.475 110 A N 0.193 123.147 122.820 0.224 0.000 1.933 110 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 110 A C 2.356 179.968 177.584 0.048 0.000 1.175 110 A CA 1.385 53.484 52.037 0.103 0.000 0.628 110 A CB -1.137 17.898 19.000 0.058 0.000 0.814 110 A HN 0.393 nan 8.150 nan 0.000 0.444 111 L N -1.762 119.487 121.223 0.042 0.000 2.056 111 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 111 L C 2.575 179.388 176.870 -0.094 0.000 1.078 111 L CA 1.622 56.433 54.840 -0.049 0.000 0.749 111 L CB -0.633 41.374 42.059 -0.086 0.000 0.901 111 L HN 0.465 nan 8.230 nan 0.000 0.433 112 H N -1.103 117.948 119.070 -0.032 0.000 2.353 112 H HA -0.202 4.354 4.556 -0.000 0.000 0.300 112 H C 1.927 177.187 175.328 -0.113 0.000 1.090 112 H CA 1.834 57.844 56.048 -0.063 0.000 1.327 112 H CB -0.080 29.672 29.762 -0.016 0.000 1.383 112 H HN 0.308 nan 8.280 nan 0.000 0.508 113 D N -0.121 120.302 120.400 0.038 0.000 2.097 113 D HA -0.143 4.496 4.640 -0.000 0.000 0.195 113 D C 2.103 178.350 176.300 -0.087 0.000 0.989 113 D CA 0.649 54.626 54.000 -0.039 0.000 0.827 113 D CB -0.147 40.647 40.800 -0.011 0.000 0.966 113 D HN 0.197 nan 8.370 nan 0.000 0.456 114 L N -0.035 121.131 121.223 -0.094 0.000 2.046 114 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 114 L C 2.294 179.032 176.870 -0.220 0.000 1.077 114 L CA 1.319 56.081 54.840 -0.130 0.000 0.747 114 L CB -0.637 41.355 42.059 -0.112 0.000 0.896 114 L HN 0.041 nan 8.230 nan 0.000 0.432 115 V N -0.020 119.718 119.914 -0.294 0.000 2.343 115 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 115 V C 2.598 178.351 176.094 -0.568 0.000 1.051 115 V CA 1.716 63.689 62.300 -0.545 0.000 1.036 115 V CB -1.555 29.951 31.823 -0.528 0.000 0.654 115 V HN 0.622 nan 8.190 nan 0.000 0.451 116 G N -0.387 108.236 108.800 -0.294 0.000 2.422 116 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 116 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 116 G C 1.677 176.498 174.900 -0.131 0.000 1.146 116 G CA 0.754 45.746 45.100 -0.180 0.000 0.769 116 G HN 0.470 nan 8.290 nan 0.000 0.547 117 K N -0.168 120.150 120.400 -0.136 0.000 2.097 117 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 117 K C 2.568 179.127 176.600 -0.068 0.000 1.050 117 K CA 1.018 57.255 56.287 -0.082 0.000 0.938 117 K CB -0.072 32.383 32.500 -0.074 0.000 0.718 117 K HN 0.106 nan 8.250 nan 0.000 0.442 118 R N 0.748 121.163 120.500 -0.142 0.000 2.073 118 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 118 R C 1.591 177.953 176.300 0.103 0.000 1.134 118 R CA 1.628 57.674 56.100 -0.090 0.000 0.952 118 R CB -0.405 29.753 30.300 -0.238 0.000 0.850 118 R HN 0.075 nan 8.270 nan 0.000 0.433 119 F N -0.184 119.748 119.950 -0.030 0.000 2.780 119 F HA 0.363 4.890 4.527 -0.000 0.000 0.299 119 F C 1.481 177.264 175.800 -0.028 0.000 1.146 119 F CA 0.374 58.358 58.000 -0.027 0.000 1.428 119 F CB -0.592 38.389 39.000 -0.031 0.000 1.115 119 F HN 0.345 nan 8.300 nan 0.000 0.583 120 G N 1.147 110.023 108.800 0.126 0.000 2.225 120 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.264 120 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.264 120 G C -0.111 174.813 174.900 0.040 0.000 1.060 120 G CA 0.286 45.422 45.100 0.060 0.000 0.833 120 G HN 0.598 nan 8.290 nan 0.000 0.498 121 V N -3.980 115.951 119.914 0.028 0.000 2.962 121 V HA 0.944 5.064 4.120 -0.000 0.000 0.313 121 V C -2.588 173.429 176.094 -0.129 0.000 1.099 121 V CA -3.026 59.257 62.300 -0.029 0.000 0.971 121 V CB 2.412 34.247 31.823 0.020 0.000 1.028 121 V HN 0.035 nan 8.190 nan 0.000 0.430 122 P HA 0.300 nan 4.420 nan 0.000 0.275 122 P C 1.021 178.036 177.300 -0.476 0.000 1.228 122 P CA -0.107 62.739 63.100 -0.424 0.000 0.786 122 P CB 1.122 32.335 31.700 -0.812 0.000 0.927 123 V N 2.082 121.659 119.914 -0.561 0.000 2.380 123 V HA -0.287 3.832 4.120 -0.000 0.000 0.251 123 V C 1.982 178.002 176.094 -0.123 0.000 1.063 123 V CA 2.149 64.201 62.300 -0.414 0.000 1.055 123 V CB -1.748 29.681 31.823 -0.657 0.000 0.657 123 V HN 0.633 nan 8.190 nan 0.000 0.455 124 Y N 0.400 120.814 120.300 0.190 0.000 2.384 124 Y HA -0.170 4.380 4.550 -0.000 0.000 0.289 124 Y C 2.256 178.232 175.900 0.128 0.000 1.152 124 Y CA 0.954 59.185 58.100 0.218 0.000 1.258 124 Y CB -1.050 37.566 38.460 0.259 0.000 0.979 124 Y HN 0.210 nan 8.280 nan 0.000 0.549 125 Q N 0.802 120.663 119.800 0.101 0.000 2.172 125 Q HA 0.019 4.359 4.340 -0.000 0.000 0.200 125 Q C 2.203 178.282 176.000 0.132 0.000 0.964 125 Q CA 1.139 57.031 55.803 0.148 0.000 0.855 125 Q CB -0.215 28.540 28.738 0.027 0.000 0.918 125 Q HN 0.627 nan 8.270 nan 0.000 0.444 126 L N -0.149 121.140 121.223 0.111 0.000 2.418 126 L HA 0.004 4.344 4.340 -0.000 0.000 0.218 126 L C 1.539 178.507 176.870 0.163 0.000 1.125 126 L CA 0.350 55.275 54.840 0.142 0.000 0.835 126 L CB -0.019 42.129 42.059 0.148 0.000 0.953 126 L HN 0.089 nan 8.230 nan 0.000 0.454 127 L N -0.502 120.822 121.223 0.168 0.000 2.741 127 L HA 0.332 4.672 4.340 -0.000 0.000 0.237 127 L C 1.089 178.048 176.870 0.148 0.000 1.178 127 L CA 0.332 55.268 54.840 0.160 0.000 0.973 127 L CB 0.171 42.321 42.059 0.152 0.000 1.255 127 L HN 0.356 nan 8.230 nan 0.000 0.498 128 G N -0.805 108.081 108.800 0.144 0.000 2.192 128 G HA2 0.009 3.969 3.960 -0.000 0.000 0.193 128 G HA3 0.009 3.969 3.960 -0.000 0.000 0.193 128 G C 0.513 175.487 174.900 0.123 0.000 0.999 128 G CA -0.260 44.912 45.100 0.121 0.000 0.659 128 G HN 0.786 nan 8.290 nan 0.000 0.503 129 G N -0.669 108.237 108.800 0.176 0.000 2.699 129 G HA2 0.166 4.125 3.960 -0.000 0.000 0.686 129 G HA3 0.166 4.125 3.960 -0.000 0.000 0.686 129 G C -0.267 174.700 174.900 0.111 0.000 1.301 129 G CA 0.256 45.465 45.100 0.182 0.000 0.816 129 G HN 1.052 nan 8.290 nan 0.000 0.595 130 K N 0.786 121.185 120.400 -0.002 0.000 2.127 130 K HA 0.363 4.683 4.320 -0.000 0.000 0.261 130 K C 1.703 178.221 176.600 -0.138 0.000 1.129 130 K CA 0.460 56.601 56.287 -0.242 0.000 0.993 130 K CB -0.408 31.790 32.500 -0.503 0.000 1.410 130 K HN 0.509 nan 8.250 nan 0.000 0.380 131 T N 3.525 118.023 114.554 -0.092 0.000 2.746 131 T HA -0.079 4.270 4.350 -0.000 0.000 0.267 131 T C 0.969 175.606 174.700 -0.104 0.000 1.039 131 T CA 1.101 63.157 62.100 -0.072 0.000 1.142 131 T CB -0.187 68.654 68.868 -0.044 0.000 0.866 131 T HN 0.681 nan 8.240 nan 0.000 0.444 132 I N -1.247 119.241 120.570 -0.137 0.000 2.608 132 I HA 0.631 4.801 4.170 -0.000 0.000 0.295 132 I C 0.477 176.479 176.117 -0.191 0.000 1.049 132 I CA -0.980 60.229 61.300 -0.151 0.000 1.063 132 I CB 2.369 40.280 38.000 -0.148 0.000 1.248 132 I HN -0.295 nan 8.210 nan 0.000 0.424 133 E N 2.700 122.790 120.200 -0.183 0.000 2.216 133 E HA 0.005 4.355 4.350 -0.000 0.000 0.192 133 E C -0.020 176.436 176.600 -0.240 0.000 0.988 133 E CA 1.024 57.315 56.400 -0.181 0.000 0.834 133 E CB 0.233 29.863 29.700 -0.118 0.000 0.772 133 E HN 0.681 nan 8.360 nan 0.000 0.479 134 R N -0.837 119.463 120.500 -0.334 0.000 2.739 134 R HA 0.566 4.906 4.340 -0.000 0.000 0.271 134 R C -1.136 174.982 176.300 -0.302 0.000 1.010 134 R CA -0.733 55.036 56.100 -0.551 0.000 0.897 134 R CB 0.863 30.551 30.300 -1.019 0.000 1.236 134 R HN -0.159 nan 8.270 nan 0.000 0.466 135 I N 2.278 122.707 120.570 -0.235 0.000 2.382 135 I HA 0.352 4.522 4.170 -0.000 0.000 0.285 135 I C -2.172 173.948 176.117 0.004 0.000 1.007 135 I CA -2.670 58.580 61.300 -0.083 0.000 1.142 135 I CB 2.171 40.107 38.000 -0.106 0.000 1.289 135 I HN 0.406 nan 8.210 nan 0.000 0.453 136 P HA 0.190 nan 4.420 nan 0.000 0.271 136 P C -0.962 176.233 177.300 -0.175 0.000 1.220 136 P CA 0.138 62.972 63.100 -0.443 0.000 0.768 136 P CB 0.952 32.182 31.700 -0.785 0.000 0.848 137 L N 2.355 123.540 121.223 -0.064 0.000 2.319 137 L HA 0.829 5.169 4.340 -0.000 0.000 0.267 137 L C 0.995 177.855 176.870 -0.017 0.000 1.011 137 L CA -0.715 54.159 54.840 0.057 0.000 0.818 137 L CB 2.118 44.289 42.059 0.186 0.000 1.316 137 L HN 0.400 nan 8.230 nan 0.000 0.432 138 G N 0.497 109.000 108.800 -0.496 0.000 2.630 138 G HA2 0.764 4.724 3.960 -0.000 0.000 0.296 138 G HA3 0.764 4.724 3.960 -0.000 0.000 0.296 138 G C -1.987 172.476 174.900 -0.729 0.000 1.285 138 G CA -0.426 43.749 45.100 -1.541 0.000 0.958 138 G HN 0.272 nan 8.290 nan 0.000 0.479 139 L N -0.210 120.656 121.223 -0.595 0.000 2.409 139 L HA 0.615 4.955 4.340 -0.000 0.000 0.262 139 L C -0.246 176.527 176.870 -0.162 0.000 0.992 139 L CA -0.682 53.941 54.840 -0.362 0.000 0.817 139 L CB 2.491 44.140 42.059 -0.683 0.000 1.350 139 L HN 0.369 nan 8.230 nan 0.000 0.411 140 V N 4.007 123.894 119.914 -0.045 0.000 2.607 140 V HA 0.399 4.519 4.120 -0.000 0.000 0.289 140 V C 0.249 176.287 176.094 -0.094 0.000 1.053 140 V CA -0.606 61.649 62.300 -0.075 0.000 0.996 140 V CB 1.273 33.045 31.823 -0.085 0.000 0.995 140 V HN 0.515 nan 8.190 nan 0.000 0.476 141 L N 2.932 124.080 121.223 -0.124 0.000 2.399 141 L HA 0.635 4.975 4.340 -0.000 0.000 0.265 141 L C 1.009 177.812 176.870 -0.111 0.000 1.089 141 L CA -0.345 54.426 54.840 -0.114 0.000 0.802 141 L CB 1.024 43.016 42.059 -0.112 0.000 1.180 141 L HN 0.784 nan 8.230 nan 0.000 0.454 142 G N 0.310 109.053 108.800 -0.095 0.000 2.507 142 G HA2 0.494 4.454 3.960 -0.000 0.000 0.271 142 G HA3 0.494 4.454 3.960 -0.000 0.000 0.271 142 G C -0.020 174.832 174.900 -0.081 0.000 1.189 142 G CA -0.182 44.864 45.100 -0.091 0.000 0.859 142 G HN 0.796 nan 8.290 nan 0.000 0.542 143 A N -0.313 122.461 122.820 -0.077 0.000 2.387 143 A HA 0.783 5.103 4.320 -0.000 0.000 0.251 143 A C 1.055 178.605 177.584 -0.056 0.000 1.113 143 A CA 0.933 52.930 52.037 -0.067 0.000 0.794 143 A CB 0.009 18.971 19.000 -0.062 0.000 1.069 143 A HN 2.475 nan 8.150 nan 0.000 0.506 144 G N -1.031 107.739 108.800 -0.050 0.000 2.357 144 G HA2 0.350 4.310 3.960 -0.000 0.000 0.289 144 G HA3 0.350 4.310 3.960 -0.000 0.000 0.289 144 G C -1.245 173.630 174.900 -0.041 0.000 1.302 144 G CA -0.689 44.385 45.100 -0.043 0.000 0.936 144 G HN 0.740 nan 8.290 nan 0.000 0.513 145 E N 0.623 120.802 120.200 -0.036 0.000 2.398 145 E HA 0.251 4.601 4.350 -0.000 0.000 0.263 145 E C -1.407 175.169 176.600 -0.039 0.000 1.046 145 E CA -1.345 55.034 56.400 -0.034 0.000 0.908 145 E CB 1.026 30.709 29.700 -0.028 0.000 0.963 145 E HN 0.100 nan 8.360 nan 0.000 0.431 146 P HA -0.238 nan 4.420 nan 0.000 0.214 146 P C 0.944 178.218 177.300 -0.043 0.000 1.169 146 P CA 1.776 64.847 63.100 -0.048 0.000 0.908 146 P CB 0.167 31.837 31.700 -0.049 0.000 0.791 147 E N -0.314 119.865 120.200 -0.034 0.000 2.160 147 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 147 E C 1.998 178.580 176.600 -0.031 0.000 0.991 147 E CA 1.399 57.781 56.400 -0.029 0.000 0.810 147 E CB -0.877 28.809 29.700 -0.022 0.000 0.742 147 E HN 0.210 nan 8.360 nan 0.000 0.466 148 A N 1.564 124.365 122.820 -0.033 0.000 1.897 148 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 148 A C 2.537 180.096 177.584 -0.041 0.000 1.181 148 A CA 0.873 52.890 52.037 -0.034 0.000 0.620 148 A CB -0.539 18.441 19.000 -0.033 0.000 0.821 148 A HN 0.143 nan 8.150 nan 0.000 0.443 149 V N -0.054 119.831 119.914 -0.047 0.000 2.626 149 V HA -0.206 3.914 4.120 -0.000 0.000 0.252 149 V C 2.931 178.991 176.094 -0.055 0.000 1.067 149 V CA 1.727 63.993 62.300 -0.057 0.000 1.081 149 V CB -0.982 30.803 31.823 -0.064 0.000 0.686 149 V HN 0.597 nan 8.190 nan 0.000 0.468 150 A N -0.300 122.491 122.820 -0.048 0.000 1.929 150 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 150 A C 2.153 179.716 177.584 -0.035 0.000 1.176 150 A CA 1.428 53.440 52.037 -0.041 0.000 0.628 150 A CB -0.308 18.670 19.000 -0.036 0.000 0.816 150 A HN 0.602 nan 8.150 nan 0.000 0.444 151 E N -0.371 119.809 120.200 -0.034 0.000 2.031 151 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 151 E C 2.036 178.615 176.600 -0.035 0.000 0.994 151 E CA 1.309 57.691 56.400 -0.029 0.000 0.800 151 E CB -0.195 29.489 29.700 -0.027 0.000 0.752 151 E HN 0.813 nan 8.360 nan 0.000 0.447 152 E N 0.869 121.042 120.200 -0.045 0.000 2.118 152 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 152 E C 2.043 178.604 176.600 -0.066 0.000 0.992 152 E CA 1.058 57.424 56.400 -0.058 0.000 0.804 152 E CB -0.088 29.571 29.700 -0.068 0.000 0.741 152 E HN 0.232 nan 8.360 nan 0.000 0.458 153 A N 1.130 123.914 122.820 -0.061 0.000 1.892 153 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 153 A C 2.229 179.790 177.584 -0.039 0.000 1.188 153 A CA 1.580 53.583 52.037 -0.058 0.000 0.631 153 A CB -0.814 18.158 19.000 -0.046 0.000 0.822 153 A HN 0.346 nan 8.150 nan 0.000 0.447 154 L N -0.896 120.311 121.223 -0.027 0.000 2.046 154 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 154 L C 3.109 179.972 176.870 -0.011 0.000 1.077 154 L CA 1.077 55.909 54.840 -0.014 0.000 0.747 154 L CB -0.572 41.481 42.059 -0.011 0.000 0.896 154 L HN 0.452 nan 8.230 nan 0.000 0.432 155 A N -0.340 122.468 122.820 -0.020 0.000 1.902 155 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 155 A C 2.349 179.933 177.584 -0.002 0.000 1.181 155 A CA 1.816 53.845 52.037 -0.013 0.000 0.623 155 A CB -0.859 18.126 19.000 -0.025 0.000 0.818 155 A HN 0.184 nan 8.150 nan 0.000 0.443 156 V N 0.061 119.952 119.914 -0.037 0.000 2.343 156 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 156 V C 2.559 178.706 176.094 0.087 0.000 1.051 156 V CA 2.010 64.283 62.300 -0.046 0.000 1.036 156 V CB -0.711 30.996 31.823 -0.193 0.000 0.654 156 V HN 0.568 nan 8.190 nan 0.000 0.451 157 L N -0.895 120.345 121.223 0.030 0.000 2.093 157 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 157 L C 2.752 179.630 176.870 0.014 0.000 1.085 157 L CA 1.430 56.284 54.840 0.024 0.000 0.755 157 L CB -0.518 41.545 42.059 0.007 0.000 0.904 157 L HN 0.206 nan 8.230 nan 0.000 0.435 158 R N -0.047 120.465 120.500 0.020 0.000 2.092 158 R HA -0.202 4.138 4.340 -0.000 0.000 0.231 158 R C 2.139 178.449 176.300 0.015 0.000 1.119 158 R CA 1.333 57.440 56.100 0.012 0.000 0.970 158 R CB -0.096 30.211 30.300 0.012 0.000 0.864 158 R HN 0.194 nan 8.270 nan 0.000 0.440 159 E N -0.540 119.694 120.200 0.057 0.000 2.338 159 E HA -0.106 4.244 4.350 -0.000 0.000 0.197 159 E C 0.791 177.355 176.600 -0.061 0.000 1.007 159 E CA 1.289 57.724 56.400 0.059 0.000 0.849 159 E CB 0.144 29.963 29.700 0.198 0.000 0.774 159 E HN 0.447 nan 8.360 nan 0.000 0.506 160 G N -1.448 107.290 108.800 -0.103 0.000 2.175 160 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.182 160 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.182 160 G C -0.056 174.482 174.900 -0.604 0.000 1.003 160 G CA -0.193 44.726 45.100 -0.302 0.000 0.666 160 G HN 0.145 nan 8.290 nan 0.000 0.506 161 F N 1.284 121.014 119.950 -0.366 0.000 2.506 161 F HA 0.405 4.932 4.527 -0.000 0.000 0.351 161 F C 1.914 177.403 175.800 -0.518 0.000 1.136 161 F CA 0.230 57.962 58.000 -0.447 0.000 1.298 161 F CB 0.570 39.388 39.000 -0.304 0.000 1.145 161 F HN 0.094 nan 8.300 nan 0.000 0.593 162 H N 2.264 121.276 119.070 -0.097 0.000 2.551 162 H HA 0.099 4.655 4.556 -0.000 0.000 0.266 162 H C -0.374 175.057 175.328 0.171 0.000 0.964 162 H CA 0.743 56.786 56.048 -0.009 0.000 1.180 162 H CB 0.095 29.850 29.762 -0.012 0.000 1.408 162 H HN 0.465 nan 8.280 nan 0.000 0.563 163 F N -1.889 118.182 119.950 0.202 0.000 2.741 163 F HA 0.537 5.064 4.527 -0.000 0.000 0.311 163 F C -1.863 173.983 175.800 0.077 0.000 1.149 163 F CA -1.519 56.581 58.000 0.167 0.000 0.930 163 F CB 0.940 40.100 39.000 0.266 0.000 1.312 163 F HN -0.359 nan 8.300 nan 0.000 0.450 164 V N 2.104 122.213 119.914 0.324 0.000 2.444 164 V HA 0.513 4.633 4.120 -0.000 0.000 0.294 164 V C -0.661 175.387 176.094 -0.077 0.000 1.022 164 V CA -0.824 61.519 62.300 0.072 0.000 0.850 164 V CB 1.517 33.343 31.823 0.005 0.000 0.992 164 V HN 0.863 nan 8.190 nan 0.000 0.426 165 K N 5.468 125.744 120.400 -0.207 0.000 2.274 165 K HA 0.724 5.044 4.320 -0.000 0.000 0.262 165 K C -1.423 174.981 176.600 -0.326 0.000 0.961 165 K CA -0.612 55.341 56.287 -0.556 0.000 0.833 165 K CB 1.344 33.510 32.500 -0.556 0.000 1.102 165 K HN 0.636 nan 8.250 nan 0.000 0.436 166 L N 3.776 124.811 121.223 -0.312 0.000 2.331 166 L HA 0.474 4.813 4.340 -0.000 0.000 0.275 166 L C -0.212 176.560 176.870 -0.164 0.000 1.022 166 L CA -1.066 53.661 54.840 -0.188 0.000 0.812 166 L CB 1.771 43.746 42.059 -0.140 0.000 1.257 166 L HN 0.540 nan 8.230 nan 0.000 0.435 167 K N 2.130 122.451 120.400 -0.132 0.000 2.234 167 K HA 0.592 4.912 4.320 -0.000 0.000 0.277 167 K C -0.503 176.033 176.600 -0.107 0.000 1.038 167 K CA -0.397 55.818 56.287 -0.121 0.000 0.888 167 K CB 1.750 34.182 32.500 -0.113 0.000 1.091 167 K HN 0.663 nan 8.250 nan 0.000 0.467 168 A N 2.262 125.011 122.820 -0.119 0.000 2.276 168 A HA 0.550 4.870 4.320 -0.000 0.000 0.316 168 A C 0.724 178.248 177.584 -0.099 0.000 1.229 168 A CA -0.357 51.633 52.037 -0.079 0.000 0.851 168 A CB 1.050 20.023 19.000 -0.045 0.000 1.165 168 A HN 0.897 nan 8.150 nan 0.000 0.513 169 G N 1.117 109.893 108.800 -0.040 0.000 2.907 169 G HA2 0.561 4.521 3.960 -0.000 0.000 0.200 169 G HA3 0.561 4.521 3.960 -0.000 0.000 0.200 169 G C 0.737 175.668 174.900 0.051 0.000 1.101 169 G CA 0.618 45.694 45.100 -0.040 0.000 0.806 169 G HN 2.161 nan 8.290 nan 0.000 0.640 170 G N -0.146 108.690 108.800 0.059 0.000 2.354 170 G HA2 0.317 4.277 3.960 -0.000 0.000 0.582 170 G HA3 0.317 4.277 3.960 -0.000 0.000 0.582 170 G C -2.653 172.265 174.900 0.031 0.000 1.316 170 G CA -0.239 44.910 45.100 0.082 0.000 0.995 170 G HN 0.436 nan 8.290 nan 0.000 0.573 171 P HA 0.368 nan 4.420 nan 0.000 0.302 171 P C 1.369 178.681 177.300 0.020 0.000 1.301 171 P CA -0.482 62.632 63.100 0.023 0.000 0.745 171 P CB 0.479 32.181 31.700 0.003 0.000 1.331 172 L N 0.066 121.283 121.223 -0.011 0.000 2.013 172 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 172 L C 2.249 179.112 176.870 -0.012 0.000 1.073 172 L CA 2.088 56.910 54.840 -0.030 0.000 0.753 172 L CB -1.114 40.902 42.059 -0.073 0.000 0.890 172 L HN 0.194 nan 8.230 nan 0.000 0.432 173 K N -0.036 120.356 120.400 -0.012 0.000 2.044 173 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 173 K C 2.103 178.697 176.600 -0.010 0.000 1.049 173 K CA 1.693 57.974 56.287 -0.009 0.000 0.927 173 K CB -0.973 31.521 32.500 -0.010 0.000 0.713 173 K HN 0.527 nan 8.250 nan 0.000 0.443 174 A N 1.997 124.813 122.820 -0.007 0.000 1.898 174 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 174 A C 1.861 179.436 177.584 -0.015 0.000 1.181 174 A CA 1.869 53.898 52.037 -0.012 0.000 0.620 174 A CB -0.409 18.587 19.000 -0.007 0.000 0.819 174 A HN 0.220 nan 8.150 nan 0.000 0.442 175 D N 0.114 120.520 120.400 0.009 0.000 2.117 175 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 175 D C 1.873 178.157 176.300 -0.027 0.000 0.987 175 D CA 1.241 55.251 54.000 0.018 0.000 0.829 175 D CB -0.352 40.507 40.800 0.098 0.000 0.961 175 D HN 0.530 nan 8.370 nan 0.000 0.460 176 I N 1.165 121.720 120.570 -0.025 0.000 2.179 176 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 176 I C 2.523 178.555 176.117 -0.141 0.000 1.088 176 I CA 1.000 62.262 61.300 -0.063 0.000 1.357 176 I CB -0.252 37.757 38.000 0.015 0.000 1.051 176 I HN -0.080 nan 8.210 nan 0.000 0.409 177 A N 0.700 123.471 122.820 -0.081 0.000 1.883 177 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 177 A C 2.431 179.944 177.584 -0.117 0.000 1.186 177 A CA 2.166 54.153 52.037 -0.083 0.000 0.624 177 A CB -0.726 18.245 19.000 -0.047 0.000 0.822 177 A HN 0.473 nan 8.150 nan 0.000 0.444 178 M N -0.303 119.234 119.600 -0.105 0.000 2.059 178 M HA -0.146 4.334 4.480 -0.000 0.000 0.259 178 M C 1.993 178.199 176.300 -0.157 0.000 1.072 178 M CA 2.357 57.593 55.300 -0.107 0.000 1.117 178 M CB -0.305 32.246 32.600 -0.082 0.000 1.320 178 M HN 0.198 nan 8.290 nan 0.000 0.408 179 V N 1.105 120.895 119.914 -0.207 0.000 2.332 179 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 179 V C 2.740 178.553 176.094 -0.468 0.000 1.055 179 V CA 1.978 64.105 62.300 -0.289 0.000 1.038 179 V CB -1.597 30.046 31.823 -0.300 0.000 0.651 179 V HN 0.685 nan 8.190 nan 0.000 0.450 180 A N -0.072 122.360 122.820 -0.648 0.000 1.877 180 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 180 A C 2.215 179.677 177.584 -0.203 0.000 1.186 180 A CA 2.035 53.706 52.037 -0.610 0.000 0.620 180 A CB -0.539 18.230 19.000 -0.384 0.000 0.822 180 A HN 0.533 nan 8.150 nan 0.000 0.443 181 E N -0.063 120.048 120.200 -0.148 0.000 2.077 181 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 181 E C 1.823 178.385 176.600 -0.063 0.000 0.989 181 E CA 1.585 57.940 56.400 -0.076 0.000 0.800 181 E CB -0.395 29.267 29.700 -0.065 0.000 0.746 181 E HN 0.251 nan 8.360 nan 0.000 0.452 182 V N 0.396 120.259 119.914 -0.085 0.000 2.358 182 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 182 V C 2.504 178.578 176.094 -0.033 0.000 1.047 182 V CA 1.899 64.163 62.300 -0.059 0.000 1.035 182 V CB -0.533 31.248 31.823 -0.070 0.000 0.658 182 V HN 0.193 nan 8.190 nan 0.000 0.452 183 R N 0.686 121.162 120.500 -0.039 0.000 2.073 183 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 183 R C 2.459 178.786 176.300 0.045 0.000 1.134 183 R CA 1.894 58.010 56.100 0.027 0.000 0.952 183 R CB -0.569 29.783 30.300 0.087 0.000 0.850 183 R HN 0.426 nan 8.270 nan 0.000 0.433 184 R N -0.207 120.315 120.500 0.036 0.000 2.094 184 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 184 R C 1.986 178.301 176.300 0.024 0.000 1.137 184 R CA 1.919 58.043 56.100 0.040 0.000 0.943 184 R CB -0.520 29.799 30.300 0.031 0.000 0.850 184 R HN 0.353 nan 8.270 nan 0.000 0.433 185 A N 0.398 123.223 122.820 0.009 0.000 1.930 185 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 185 A C 2.182 179.771 177.584 0.009 0.000 1.175 185 A CA 1.713 53.753 52.037 0.004 0.000 0.627 185 A CB -0.420 18.575 19.000 -0.008 0.000 0.815 185 A HN 0.397 nan 8.150 nan 0.000 0.443 186 V N -4.051 115.871 119.914 0.014 0.000 2.992 186 V HA 0.536 4.656 4.120 -0.000 0.000 0.250 186 V C 1.162 177.275 176.094 0.030 0.000 1.090 186 V CA 0.663 62.975 62.300 0.020 0.000 1.101 186 V CB -1.113 30.723 31.823 0.022 0.000 0.743 186 V HN 1.760 nan 8.190 nan 0.000 0.468 187 G N 0.535 109.357 108.800 0.037 0.000 2.603 187 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.686 187 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.686 187 G C -0.359 174.572 174.900 0.053 0.000 1.286 187 G CA 0.035 45.160 45.100 0.042 0.000 0.871 187 G HN 0.251 nan 8.290 nan 0.000 0.568 188 D N -0.274 120.156 120.400 0.050 0.000 2.347 188 D HA 0.020 4.660 4.640 -0.000 0.000 0.213 188 D C 1.511 177.844 176.300 0.055 0.000 0.985 188 D CA 0.878 54.911 54.000 0.055 0.000 0.879 188 D CB 0.149 40.976 40.800 0.045 0.000 0.919 188 D HN 0.423 nan 8.370 nan 0.000 0.526 189 D N 0.813 121.244 120.400 0.052 0.000 2.123 189 D HA -0.048 4.592 4.640 -0.000 0.000 0.200 189 D C 0.905 177.247 176.300 0.070 0.000 0.976 189 D CA 0.305 54.338 54.000 0.055 0.000 0.831 189 D CB 0.213 41.042 40.800 0.048 0.000 0.974 189 D HN 0.009 nan 8.370 nan 0.000 0.469 190 V N 2.658 122.616 119.914 0.073 0.000 2.617 190 V HA -0.105 4.015 4.120 -0.000 0.000 0.304 190 V C 0.606 176.773 176.094 0.120 0.000 1.040 190 V CA -0.092 62.264 62.300 0.093 0.000 1.149 190 V CB 0.717 32.587 31.823 0.079 0.000 0.914 190 V HN 0.098 nan 8.190 nan 0.000 0.487 191 D N 4.886 125.384 120.400 0.164 0.000 2.348 191 D HA 0.176 4.816 4.640 -0.000 0.000 0.259 191 D C -0.654 175.799 176.300 0.254 0.000 1.296 191 D CA -0.124 53.994 54.000 0.197 0.000 0.931 191 D CB 0.734 41.678 40.800 0.241 0.000 1.067 191 D HN 0.356 nan 8.370 nan 0.000 0.503 192 L N 6.125 127.472 121.223 0.206 0.000 2.362 192 L HA 0.648 4.988 4.340 -0.000 0.000 0.275 192 L C -1.316 175.701 176.870 0.245 0.000 0.998 192 L CA -0.645 54.302 54.840 0.178 0.000 0.820 192 L CB 1.167 43.283 42.059 0.096 0.000 1.270 192 L HN 0.301 nan 8.230 nan 0.000 0.415 193 F N 4.181 124.117 119.950 -0.023 0.000 2.685 193 F HA 0.800 5.327 4.527 -0.000 0.000 0.315 193 F C -1.158 174.611 175.800 -0.051 0.000 1.126 193 F CA -1.253 56.707 58.000 -0.067 0.000 0.950 193 F CB 1.066 39.966 39.000 -0.166 0.000 1.360 193 F HN 0.494 nan 8.300 nan 0.000 0.469 194 I N -0.439 120.184 120.570 0.089 0.000 2.846 194 I HA 0.676 4.846 4.170 -0.000 0.000 0.307 194 I C -1.663 174.463 176.117 0.015 0.000 1.053 194 I CA -0.674 60.603 61.300 -0.037 0.000 1.050 194 I CB 2.116 40.113 38.000 -0.004 0.000 1.239 194 I HN 0.610 nan 8.210 nan 0.000 0.439 195 D N 3.988 124.344 120.400 -0.074 0.000 2.391 195 D HA 0.397 5.037 4.640 -0.000 0.000 0.245 195 D C 0.288 176.481 176.300 -0.178 0.000 1.069 195 D CA -0.469 53.493 54.000 -0.063 0.000 0.831 195 D CB 2.028 42.805 40.800 -0.037 0.000 1.204 195 D HN 0.513 nan 8.370 nan 0.000 0.503 196 I N 2.009 122.414 120.570 -0.275 0.000 3.854 196 I HA 0.036 4.206 4.170 -0.000 0.000 0.312 196 I C 0.700 176.594 176.117 -0.371 0.000 1.273 196 I CA 0.030 61.018 61.300 -0.520 0.000 1.298 196 I CB -0.948 36.456 38.000 -0.994 0.000 1.071 196 I HN 0.495 nan 8.210 nan 0.000 0.428 197 N N 1.748 120.349 118.700 -0.165 0.000 2.714 197 N HA -0.203 4.537 4.740 -0.000 0.000 0.250 197 N C 1.193 176.668 175.510 -0.059 0.000 1.117 197 N CA 1.047 54.082 53.050 -0.026 0.000 0.719 197 N CB -1.522 36.879 38.487 -0.143 0.000 1.081 197 N HN 0.614 nan 8.380 nan 0.000 0.557 198 G N -1.237 107.485 108.800 -0.130 0.000 2.179 198 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.257 198 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.257 198 G C 0.980 175.801 174.900 -0.131 0.000 1.010 198 G CA 0.956 45.989 45.100 -0.113 0.000 0.736 198 G HN 1.017 nan 8.290 nan 0.000 0.513 199 A N -1.264 121.404 122.820 -0.254 0.000 2.206 199 A HA 0.408 4.728 4.320 -0.000 0.000 0.211 199 A C 0.984 178.591 177.584 0.040 0.000 1.158 199 A CA 0.647 52.585 52.037 -0.164 0.000 0.761 199 A CB -0.086 18.769 19.000 -0.241 0.000 0.801 199 A HN 0.528 nan 8.150 nan 0.000 0.473 200 W N 0.570 121.848 121.300 -0.036 0.000 2.448 200 W HA 0.482 5.142 4.660 -0.000 0.000 0.339 200 W C 0.556 177.062 176.519 -0.022 0.000 1.124 200 W CA -0.719 56.606 57.345 -0.033 0.000 1.262 200 W CB 0.336 29.767 29.460 -0.048 0.000 1.251 200 W HN 0.161 nan 8.180 nan 0.000 0.597 201 T N -1.287 113.406 114.554 0.232 0.000 2.874 201 T HA 0.098 4.448 4.350 -0.000 0.000 0.281 201 T C 0.791 175.575 174.700 0.139 0.000 0.994 201 T CA -0.297 61.896 62.100 0.155 0.000 1.015 201 T CB 1.048 69.987 68.868 0.118 0.000 1.028 201 T HN 0.381 nan 8.240 nan 0.000 0.523 202 Y N 1.854 122.179 120.300 0.041 0.000 2.114 202 Y HA -0.274 4.276 4.550 0.000 0.000 0.282 202 Y C 2.344 178.241 175.900 -0.004 0.000 1.165 202 Y CA 2.761 60.876 58.100 0.024 0.000 1.148 202 Y CB -0.481 37.989 38.460 0.016 0.000 0.972 202 Y HN 0.875 nan 8.280 nan 0.000 0.504 203 D N -0.594 119.788 120.400 -0.029 0.000 2.117 203 D HA -0.232 4.408 4.640 -0.000 0.000 0.197 203 D C 1.849 177.996 176.300 -0.255 0.000 0.987 203 D CA 1.703 55.620 54.000 -0.138 0.000 0.829 203 D CB -0.831 39.963 40.800 -0.009 0.000 0.961 203 D HN 0.538 nan 8.370 nan 0.000 0.460 204 Q N 0.588 120.239 119.800 -0.248 0.000 2.061 204 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 204 Q C 2.496 178.081 176.000 -0.692 0.000 0.984 204 Q CA 1.925 57.456 55.803 -0.454 0.000 0.846 204 Q CB -0.265 28.178 28.738 -0.492 0.000 0.902 204 Q HN 0.446 nan 8.270 nan 0.000 0.421 205 A N 0.878 123.413 122.820 -0.476 0.000 1.851 205 A HA -0.225 4.094 4.320 -0.000 0.000 0.216 205 A C 2.042 179.416 177.584 -0.350 0.000 1.195 205 A CA 1.504 53.358 52.037 -0.304 0.000 0.622 205 A CB -0.912 18.114 19.000 0.044 0.000 0.831 205 A HN 0.361 nan 8.150 nan 0.000 0.444 206 L N -0.171 120.798 121.223 -0.424 0.000 1.990 206 L HA -0.161 4.178 4.340 -0.000 0.000 0.213 206 L C 2.561 179.281 176.870 -0.250 0.000 1.072 206 L CA 2.894 57.529 54.840 -0.341 0.000 0.755 206 L CB -1.261 40.544 42.059 -0.423 0.000 0.889 206 L HN 0.438 nan 8.230 nan 0.000 0.432 207 T N -1.136 113.250 114.554 -0.280 0.000 2.652 207 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 207 T C 1.702 176.257 174.700 -0.241 0.000 1.039 207 T CA 2.179 64.141 62.100 -0.230 0.000 1.153 207 T CB -0.532 68.195 68.868 -0.235 0.000 0.863 207 T HN 0.473 nan 8.240 nan 0.000 0.428 208 T N 2.073 116.394 114.554 -0.389 0.000 2.737 208 T HA 0.064 4.414 4.350 -0.000 0.000 0.265 208 T C 2.030 176.635 174.700 -0.159 0.000 1.038 208 T CA 0.882 62.766 62.100 -0.360 0.000 1.144 208 T CB -0.420 67.977 68.868 -0.784 0.000 0.866 208 T HN 0.301 nan 8.240 nan 0.000 0.434 209 I N 0.744 121.236 120.570 -0.131 0.000 2.264 209 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 209 I C 2.807 178.923 176.117 -0.001 0.000 1.111 209 I CA 1.334 62.641 61.300 0.012 0.000 1.382 209 I CB -0.317 37.706 38.000 0.039 0.000 1.060 209 I HN 0.145 nan 8.210 nan 0.000 0.418 210 R N 0.590 121.062 120.500 -0.047 0.000 2.092 210 R HA -0.074 4.266 4.340 -0.000 0.000 0.231 210 R C 2.434 178.720 176.300 -0.022 0.000 1.119 210 R CA 1.313 57.392 56.100 -0.035 0.000 0.970 210 R CB -0.377 29.891 30.300 -0.054 0.000 0.864 210 R HN 0.342 nan 8.270 nan 0.000 0.440 211 A N 0.862 123.667 122.820 -0.025 0.000 2.019 211 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 211 A C 1.958 179.592 177.584 0.082 0.000 1.164 211 A CA 1.076 53.117 52.037 0.008 0.000 0.644 211 A CB -0.258 18.739 19.000 -0.005 0.000 0.805 211 A HN 0.190 nan 8.150 nan 0.000 0.449 212 L N -0.930 120.361 121.223 0.113 0.000 2.529 212 L HA 0.015 4.355 4.340 -0.000 0.000 0.223 212 L C 1.989 178.963 176.870 0.173 0.000 1.113 212 L CA 0.219 55.212 54.840 0.255 0.000 0.861 212 L CB -0.365 41.829 42.059 0.225 0.000 1.012 212 L HN 0.416 nan 8.230 nan 0.000 0.461 213 E N 1.493 121.722 120.200 0.049 0.000 2.219 213 E HA -0.270 4.080 4.350 -0.000 0.000 0.198 213 E C 1.817 178.375 176.600 -0.071 0.000 0.998 213 E CA 1.426 57.830 56.400 0.006 0.000 0.818 213 E CB -0.112 29.581 29.700 -0.011 0.000 0.741 213 E HN 0.578 nan 8.360 nan 0.000 0.477 214 K N 0.141 120.410 120.400 -0.217 0.000 2.442 214 K HA -0.135 4.185 4.320 -0.000 0.000 0.198 214 K C 0.752 177.070 176.600 -0.470 0.000 1.042 214 K CA 1.092 57.152 56.287 -0.377 0.000 0.958 214 K CB -0.092 32.092 32.500 -0.526 0.000 0.766 214 K HN 0.185 nan 8.250 nan 0.000 0.474 215 Y N 1.681 121.991 120.300 0.016 0.000 2.468 215 Y HA 0.196 4.746 4.550 -0.000 0.000 0.268 215 Y C -0.209 175.706 175.900 0.026 0.000 1.177 215 Y CA -0.917 57.195 58.100 0.020 0.000 1.265 215 Y CB -0.247 38.226 38.460 0.022 0.000 1.103 215 Y HN 0.099 nan 8.280 nan 0.000 0.522 216 N N 0.985 119.741 118.700 0.093 0.000 2.702 216 N HA -0.228 4.512 4.740 -0.000 0.000 0.255 216 N C -0.518 175.048 175.510 0.093 0.000 0.983 216 N CA 0.631 53.725 53.050 0.073 0.000 0.768 216 N CB -1.353 37.164 38.487 0.050 0.000 0.918 216 N HN 0.429 nan 8.380 nan 0.000 0.540 217 L N 0.349 121.641 121.223 0.116 0.000 2.483 217 L HA -0.020 4.320 4.340 -0.000 0.000 0.276 217 L C 1.986 178.895 176.870 0.064 0.000 1.213 217 L CA 0.166 55.073 54.840 0.112 0.000 0.843 217 L CB 0.393 42.529 42.059 0.129 0.000 1.107 217 L HN 0.277 nan 8.230 nan 0.000 0.487 218 S N 0.905 116.634 115.700 0.048 0.000 2.481 218 S HA -0.014 4.456 4.470 -0.000 0.000 0.231 218 S C 0.279 174.771 174.600 -0.180 0.000 0.996 218 S CA 0.473 58.637 58.200 -0.061 0.000 0.942 218 S CB -0.154 62.982 63.200 -0.107 0.000 0.768 218 S HN 0.782 nan 8.310 nan 0.000 0.520 219 K N -0.787 119.518 120.400 -0.158 0.000 2.999 219 K HA 0.423 4.743 4.320 -0.000 0.000 0.295 219 K C -2.116 174.447 176.600 -0.062 0.000 1.082 219 K CA -1.043 55.107 56.287 -0.228 0.000 0.816 219 K CB 0.192 32.245 32.500 -0.745 0.000 1.492 219 K HN 0.002 nan 8.250 nan 0.000 0.362 220 I N 1.267 121.824 120.570 -0.022 0.000 2.439 220 I HA 0.264 4.434 4.170 -0.000 0.000 0.285 220 I C -0.534 175.614 176.117 0.052 0.000 1.021 220 I CA -0.273 61.064 61.300 0.061 0.000 1.091 220 I CB 1.369 39.431 38.000 0.103 0.000 1.242 220 I HN 0.755 nan 8.210 nan 0.000 0.439 221 E N 5.732 125.977 120.200 0.075 0.000 2.180 221 E HA 0.123 4.472 4.350 -0.000 0.000 0.283 221 E C -0.116 176.506 176.600 0.037 0.000 1.061 221 E CA -0.386 56.071 56.400 0.095 0.000 0.861 221 E CB 0.571 30.371 29.700 0.167 0.000 1.056 221 E HN 0.460 nan 8.360 nan 0.000 0.407 222 Q N 4.107 123.943 119.800 0.059 0.000 2.423 222 Q HA -0.167 4.173 4.340 -0.000 0.000 0.368 222 Q C -2.034 173.916 176.000 -0.082 0.000 1.371 222 Q CA 0.694 56.506 55.803 0.015 0.000 1.106 222 Q CB -0.130 28.639 28.738 0.052 0.000 1.263 222 Q HN 0.516 nan 8.270 nan 0.000 0.325 223 P HA -0.098 nan 4.420 nan 0.000 0.220 223 P C 0.106 177.381 177.300 -0.042 0.000 1.152 223 P CA 1.009 64.037 63.100 -0.119 0.000 0.812 223 P CB 0.352 32.135 31.700 0.138 0.000 0.792 224 L N -0.596 120.618 121.223 -0.015 0.000 2.331 224 L HA 0.507 4.846 4.340 -0.000 0.000 0.268 224 L C -2.401 174.376 176.870 -0.155 0.000 1.015 224 L CA -3.097 51.713 54.840 -0.049 0.000 0.807 224 L CB 0.776 42.809 42.059 -0.045 0.000 1.293 224 L HN -0.359 nan 8.230 nan 0.000 0.451 225 P HA -0.053 nan 4.420 nan 0.000 0.266 225 P C 0.065 177.122 177.300 -0.405 0.000 1.193 225 P CA 0.188 63.066 63.100 -0.369 0.000 0.770 225 P CB 0.655 31.963 31.700 -0.654 0.000 0.836 226 A N 4.249 126.966 122.820 -0.170 0.000 1.927 226 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 226 A C 1.793 179.350 177.584 -0.044 0.000 1.185 226 A CA 1.880 53.886 52.037 -0.053 0.000 0.639 226 A CB -1.584 17.451 19.000 0.058 0.000 0.820 226 A HN 0.846 nan 8.150 nan 0.000 0.451 227 W N -0.611 120.714 121.300 0.041 0.000 2.584 227 W HA 0.108 4.768 4.660 -0.001 0.000 0.264 227 W C -0.039 176.504 176.519 0.039 0.000 1.264 227 W CA 0.580 57.947 57.345 0.036 0.000 1.306 227 W CB -0.738 28.744 29.460 0.035 0.000 1.110 227 W HN 0.368 nan 8.180 nan 0.000 0.606 228 D N 2.442 122.439 120.400 -0.672 0.000 2.767 228 D HA 0.096 4.736 4.640 -0.000 0.000 0.231 228 D C 1.525 177.720 176.300 -0.175 0.000 1.105 228 D CA 0.156 53.837 54.000 -0.532 0.000 1.024 228 D CB -0.401 39.859 40.800 -0.900 0.000 1.123 228 D HN 0.073 nan 8.370 nan 0.000 0.470 229 L N 0.314 121.518 121.223 -0.032 0.000 2.093 229 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 229 L C 1.637 178.507 176.870 -0.001 0.000 1.085 229 L CA 0.765 55.600 54.840 -0.009 0.000 0.755 229 L CB -0.125 41.946 42.059 0.019 0.000 0.904 229 L HN 0.193 nan 8.230 nan 0.000 0.435 230 D N 0.247 120.656 120.400 0.014 0.000 2.144 230 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 230 D C 2.111 178.405 176.300 -0.009 0.000 0.978 230 D CA 1.497 55.501 54.000 0.006 0.000 0.833 230 D CB -0.190 40.619 40.800 0.015 0.000 0.961 230 D HN 0.344 nan 8.370 nan 0.000 0.470 231 G N 1.125 109.915 108.800 -0.017 0.000 2.421 231 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 231 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 231 G C 1.612 176.574 174.900 0.104 0.000 1.171 231 G CA 0.518 45.634 45.100 0.026 0.000 0.775 231 G HN 0.108 nan 8.290 nan 0.000 0.543 232 M N 1.123 120.749 119.600 0.043 0.000 2.149 232 M HA -0.051 4.429 4.480 -0.000 0.000 0.261 232 M C 2.943 179.279 176.300 0.059 0.000 1.064 232 M CA 1.501 56.831 55.300 0.051 0.000 1.102 232 M CB -0.969 31.636 32.600 0.009 0.000 1.369 232 M HN 0.346 nan 8.290 nan 0.000 0.408 233 A N -0.714 122.129 122.820 0.038 0.000 2.016 233 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 233 A C 2.327 179.942 177.584 0.051 0.000 1.162 233 A CA 1.130 53.185 52.037 0.031 0.000 0.662 233 A CB -0.540 18.466 19.000 0.011 0.000 0.812 233 A HN 0.441 nan 8.150 nan 0.000 0.450 234 R N -0.915 119.625 120.500 0.067 0.000 2.093 234 R HA -0.026 4.314 4.340 -0.000 0.000 0.224 234 R C 1.989 178.418 176.300 0.215 0.000 1.101 234 R CA 1.220 57.368 56.100 0.081 0.000 0.979 234 R CB -0.303 29.967 30.300 -0.050 0.000 0.877 234 R HN 0.430 nan 8.270 nan 0.000 0.441 235 L N 1.407 122.812 121.223 0.302 0.000 2.046 235 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 235 L C 2.061 179.004 176.870 0.122 0.000 1.077 235 L CA 1.744 56.728 54.840 0.240 0.000 0.747 235 L CB -0.289 41.867 42.059 0.161 0.000 0.896 235 L HN 0.061 nan 8.230 nan 0.000 0.432 236 R N -0.769 119.789 120.500 0.096 0.000 2.152 236 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 236 R C 1.929 178.264 176.300 0.058 0.000 1.117 236 R CA 0.945 57.084 56.100 0.065 0.000 0.981 236 R CB -0.708 29.621 30.300 0.048 0.000 0.870 236 R HN 0.561 nan 8.270 nan 0.000 0.451 237 G N 0.189 109.031 108.800 0.069 0.000 2.920 237 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.208 237 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.208 237 G C 1.079 176.016 174.900 0.063 0.000 1.159 237 G CA 0.093 45.227 45.100 0.057 0.000 0.784 237 G HN 0.071 nan 8.290 nan 0.000 0.535 238 K N -0.180 120.265 120.400 0.075 0.000 2.481 238 K HA 0.238 4.558 4.320 -0.000 0.000 0.210 238 K C 0.167 176.786 176.600 0.031 0.000 1.161 238 K CA 0.082 56.406 56.287 0.063 0.000 1.023 238 K CB 1.261 33.822 32.500 0.101 0.000 0.971 238 K HN 0.325 nan 8.250 nan 0.000 0.577 239 V N -3.383 116.550 119.914 0.032 0.000 3.007 239 V HA 0.770 4.890 4.120 -0.000 0.000 0.311 239 V C 0.680 176.791 176.094 0.028 0.000 1.120 239 V CA -0.614 61.698 62.300 0.021 0.000 0.980 239 V CB 1.873 33.706 31.823 0.018 0.000 1.033 239 V HN -0.105 nan 8.190 nan 0.000 0.429 240 A N 1.464 124.298 122.820 0.024 0.000 1.975 240 A HA 0.236 4.556 4.320 -0.000 0.000 0.215 240 A C 1.266 178.870 177.584 0.033 0.000 1.170 240 A CA 1.163 53.216 52.037 0.025 0.000 0.656 240 A CB -0.643 18.368 19.000 0.018 0.000 0.821 240 A HN 1.010 nan 8.150 nan 0.000 0.449 241 T N 3.064 117.641 114.554 0.038 0.000 2.908 241 T HA 0.321 4.671 4.350 -0.000 0.000 0.301 241 T C -2.482 172.251 174.700 0.055 0.000 1.019 241 T CA -0.434 61.692 62.100 0.045 0.000 1.152 241 T CB 0.454 69.355 68.868 0.056 0.000 0.966 241 T HN 0.120 nan 8.240 nan 0.000 0.540 242 P HA 0.171 nan 4.420 nan 0.000 0.268 242 P C -0.578 176.805 177.300 0.138 0.000 1.205 242 P CA -0.254 62.911 63.100 0.107 0.000 0.771 242 P CB 0.350 32.134 31.700 0.140 0.000 0.858 243 I N 4.114 124.787 120.570 0.171 0.000 2.355 243 I HA 0.272 4.442 4.170 -0.000 0.000 0.288 243 I C -0.222 176.048 176.117 0.256 0.000 0.999 243 I CA -0.793 60.609 61.300 0.170 0.000 1.163 243 I CB 0.259 38.320 38.000 0.101 0.000 1.316 243 I HN 0.297 nan 8.210 nan 0.000 0.454 244 Y N 3.748 124.023 120.300 -0.042 0.000 2.387 244 Y HA 0.670 5.220 4.550 -0.000 0.000 0.330 244 Y C 0.554 176.451 175.900 -0.005 0.000 1.133 244 Y CA -1.216 56.855 58.100 -0.048 0.000 1.152 244 Y CB 1.926 40.326 38.460 -0.100 0.000 1.215 244 Y HN 0.617 nan 8.280 nan 0.000 0.466 245 A N 1.963 124.849 122.820 0.110 0.000 2.317 245 A HA 0.522 4.841 4.320 -0.000 0.000 0.327 245 A C -0.057 177.625 177.584 0.164 0.000 1.178 245 A CA -0.255 51.842 52.037 0.100 0.000 0.817 245 A CB 0.884 19.905 19.000 0.035 0.000 1.189 245 A HN 0.768 nan 8.150 nan 0.000 0.489 246 D N 0.834 121.339 120.400 0.175 0.000 3.074 246 D HA 0.023 4.663 4.640 -0.000 0.000 0.227 246 D C 1.265 177.684 176.300 0.198 0.000 1.553 246 D CA 0.560 54.699 54.000 0.232 0.000 1.347 246 D CB -0.148 40.811 40.800 0.264 0.000 1.021 246 D HN 0.432 nan 8.370 nan 0.000 0.260 247 E N 0.334 120.634 120.200 0.166 0.000 2.130 247 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 247 E C 2.110 178.733 176.600 0.039 0.000 0.998 247 E CA 1.416 57.848 56.400 0.053 0.000 0.806 247 E CB -0.166 29.578 29.700 0.074 0.000 0.738 247 E HN 0.100 nan 8.360 nan 0.000 0.459 248 S N -0.224 115.508 115.700 0.053 0.000 2.423 248 S HA -0.001 4.468 4.470 -0.000 0.000 0.231 248 S C 1.058 175.675 174.600 0.029 0.000 1.014 248 S CA 0.734 58.951 58.200 0.029 0.000 0.965 248 S CB 0.099 63.303 63.200 0.007 0.000 0.785 248 S HN 0.324 nan 8.310 nan 0.000 0.495 249 A N 1.421 124.294 122.820 0.089 0.000 2.910 249 A HA 0.443 4.763 4.320 -0.000 0.000 0.316 249 A C 0.847 178.629 177.584 0.330 0.000 1.493 249 A CA -0.536 51.576 52.037 0.125 0.000 1.150 249 A CB 0.119 19.226 19.000 0.179 0.000 1.159 249 A HN 0.440 nan 8.150 nan 0.000 0.526 250 Q N 0.858 120.764 119.800 0.176 0.000 2.606 250 Q HA 0.112 4.452 4.340 -0.000 0.000 0.215 250 Q C 0.074 176.203 176.000 0.215 0.000 0.908 250 Q CA 0.194 56.130 55.803 0.221 0.000 0.908 250 Q CB 0.248 29.015 28.738 0.048 0.000 1.120 250 Q HN 0.637 nan 8.270 nan 0.000 0.628 251 E N 0.785 120.960 120.200 -0.041 0.000 2.280 251 E HA 0.119 4.469 4.350 -0.000 0.000 0.261 251 E C 1.270 177.731 176.600 -0.232 0.000 1.088 251 E CA -0.231 56.089 56.400 -0.134 0.000 0.915 251 E CB 1.041 30.514 29.700 -0.378 0.000 1.141 251 E HN 0.312 nan 8.360 nan 0.000 0.433 252 L N 0.967 122.117 121.223 -0.121 0.000 2.046 252 L HA -0.221 4.118 4.340 -0.000 0.000 0.208 252 L C 2.329 179.118 176.870 -0.136 0.000 1.077 252 L CA 1.323 56.087 54.840 -0.127 0.000 0.747 252 L CB -0.687 41.368 42.059 -0.007 0.000 0.896 252 L HN 0.573 nan 8.230 nan 0.000 0.432 253 H N -1.487 117.549 119.070 -0.055 0.000 2.521 253 H HA -0.088 4.468 4.556 -0.000 0.000 0.286 253 H C 1.072 176.365 175.328 -0.059 0.000 1.034 253 H CA 0.982 56.999 56.048 -0.052 0.000 1.278 253 H CB -0.381 29.366 29.762 -0.026 0.000 1.386 253 H HN 0.370 nan 8.280 nan 0.000 0.567 254 D N 1.108 121.266 120.400 -0.404 0.000 2.123 254 D HA -0.062 4.578 4.640 -0.000 0.000 0.200 254 D C 2.306 178.487 176.300 -0.197 0.000 0.976 254 D CA 0.413 54.263 54.000 -0.251 0.000 0.831 254 D CB 0.012 40.660 40.800 -0.253 0.000 0.974 254 D HN 0.234 nan 8.370 nan 0.000 0.469 255 L N 0.620 121.672 121.223 -0.284 0.000 2.083 255 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 255 L C 2.306 179.048 176.870 -0.214 0.000 1.083 255 L CA 0.912 55.554 54.840 -0.329 0.000 0.752 255 L CB -1.039 40.715 42.059 -0.509 0.000 0.899 255 L HN 0.086 nan 8.230 nan 0.000 0.433 256 L N -0.191 120.940 121.223 -0.153 0.000 2.017 256 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 256 L C 2.510 179.339 176.870 -0.068 0.000 1.073 256 L CA 2.081 56.865 54.840 -0.094 0.000 0.745 256 L CB -1.046 40.987 42.059 -0.043 0.000 0.894 256 L HN 0.175 nan 8.230 nan 0.000 0.432 257 A N -0.348 122.445 122.820 -0.046 0.000 1.933 257 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 257 A C 2.294 179.852 177.584 -0.044 0.000 1.175 257 A CA 2.097 54.120 52.037 -0.023 0.000 0.628 257 A CB -0.892 18.113 19.000 0.008 0.000 0.814 257 A HN 0.549 nan 8.150 nan 0.000 0.444 258 I N 0.351 120.875 120.570 -0.076 0.000 2.202 258 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 258 I C 2.526 178.591 176.117 -0.085 0.000 1.091 258 I CA 1.686 62.936 61.300 -0.084 0.000 1.368 258 I CB -0.356 37.571 38.000 -0.121 0.000 1.058 258 I HN 0.585 nan 8.210 nan 0.000 0.410 259 I N -1.000 119.508 120.570 -0.103 0.000 2.252 259 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 259 I C 2.125 178.204 176.117 -0.063 0.000 1.102 259 I CA 1.611 62.856 61.300 -0.093 0.000 1.385 259 I CB -0.685 37.250 38.000 -0.109 0.000 1.064 259 I HN 0.164 nan 8.210 nan 0.000 0.414 260 N N 2.024 120.692 118.700 -0.053 0.000 2.166 260 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 260 N C 1.655 177.149 175.510 -0.027 0.000 1.019 260 N CA 1.482 54.511 53.050 -0.036 0.000 0.856 260 N CB -0.238 38.233 38.487 -0.027 0.000 0.993 260 N HN 0.559 nan 8.380 nan 0.000 0.426 261 K N -0.355 120.030 120.400 -0.026 0.000 2.393 261 K HA 0.160 4.480 4.320 -0.000 0.000 0.193 261 K C 0.512 177.101 176.600 -0.019 0.000 1.026 261 K CA 0.280 56.557 56.287 -0.017 0.000 1.064 261 K CB 0.368 32.863 32.500 -0.009 0.000 0.833 261 K HN 0.149 nan 8.250 nan 0.000 0.521 262 G N 1.576 110.358 108.800 -0.030 0.000 2.314 262 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.292 262 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.292 262 G C 0.495 175.381 174.900 -0.023 0.000 1.059 262 G CA 0.293 45.376 45.100 -0.029 0.000 0.982 262 G HN 0.386 nan 8.290 nan 0.000 0.505 263 A N -1.211 121.590 122.820 -0.032 0.000 2.275 263 A HA 0.822 5.142 4.320 -0.000 0.000 0.212 263 A C 1.259 178.826 177.584 -0.028 0.000 1.201 263 A CA 1.428 53.452 52.037 -0.021 0.000 0.843 263 A CB 0.239 19.226 19.000 -0.022 0.000 0.873 263 A HN 2.335 nan 8.150 nan 0.000 0.492 264 A N -1.041 121.746 122.820 -0.055 0.000 2.589 264 A HA 0.555 4.875 4.320 -0.000 0.000 0.296 264 A C -0.748 176.754 177.584 -0.136 0.000 1.062 264 A CA -0.361 51.626 52.037 -0.084 0.000 0.686 264 A CB 0.562 19.494 19.000 -0.113 0.000 1.282 264 A HN 0.019 nan 8.150 nan 0.000 0.404 265 D N 0.375 120.670 120.400 -0.175 0.000 2.379 265 D HA 0.347 4.987 4.640 -0.000 0.000 0.208 265 D C 0.695 176.633 176.300 -0.604 0.000 1.065 265 D CA 1.454 55.325 54.000 -0.216 0.000 0.848 265 D CB 1.189 41.974 40.800 -0.025 0.000 0.949 265 D HN 0.945 nan 8.370 nan 0.000 0.509 266 G N 0.164 108.349 108.800 -1.025 0.000 2.523 266 G HA2 0.526 4.485 3.960 -0.000 0.000 0.291 266 G HA3 0.526 4.485 3.960 -0.000 0.000 0.291 266 G C -1.813 172.556 174.900 -0.885 0.000 1.450 266 G CA -0.723 43.429 45.100 -1.580 0.000 0.790 266 G HN 0.005 nan 8.290 nan 0.000 0.496 267 L N 0.201 121.183 121.223 -0.402 0.000 2.333 267 L HA 0.765 5.105 4.340 -0.000 0.000 0.263 267 L C -0.448 176.554 176.870 0.221 0.000 1.014 267 L CA -1.121 53.738 54.840 0.031 0.000 0.820 267 L CB 2.378 44.533 42.059 0.159 0.000 1.352 267 L HN 0.292 nan 8.230 nan 0.000 0.421 268 M N 3.111 122.890 119.600 0.298 0.000 2.465 268 M HA 0.583 5.063 4.480 -0.000 0.000 0.316 268 M C -0.776 175.620 176.300 0.160 0.000 1.121 268 M CA -0.369 55.068 55.300 0.228 0.000 0.934 268 M CB 2.117 34.849 32.600 0.220 0.000 1.692 268 M HN 0.534 nan 8.290 nan 0.000 0.444 269 I N 1.509 122.047 120.570 -0.053 0.000 2.934 269 I HA 0.573 4.742 4.170 -0.000 0.000 0.306 269 I C -1.247 174.765 176.117 -0.176 0.000 1.110 269 I CA -0.616 60.451 61.300 -0.389 0.000 1.019 269 I CB 2.483 39.918 38.000 -0.943 0.000 1.227 269 I HN 0.648 nan 8.210 nan 0.000 0.434 270 K N 3.087 123.378 120.400 -0.182 0.000 2.513 270 K HA 0.258 4.578 4.320 -0.000 0.000 0.251 270 K C 0.454 177.020 176.600 -0.058 0.000 0.939 270 K CA -0.364 55.898 56.287 -0.043 0.000 0.793 270 K CB 2.158 34.705 32.500 0.079 0.000 1.241 270 K HN 0.764 nan 8.250 nan 0.000 0.431 271 T N -0.743 113.822 114.554 0.018 0.000 2.759 271 T HA -0.232 4.118 4.350 -0.000 0.000 0.269 271 T C 1.449 176.256 174.700 0.178 0.000 1.042 271 T CA 1.370 63.542 62.100 0.120 0.000 1.140 271 T CB -0.049 68.965 68.868 0.244 0.000 0.864 271 T HN 0.501 nan 8.240 nan 0.000 0.455 272 Q N 0.885 120.801 119.800 0.192 0.000 2.230 272 Q HA 0.138 4.478 4.340 -0.000 0.000 0.202 272 Q C 2.307 178.347 176.000 0.066 0.000 0.963 272 Q CA 1.180 57.065 55.803 0.137 0.000 0.866 272 Q CB -0.211 28.621 28.738 0.155 0.000 0.931 272 Q HN 0.671 nan 8.270 nan 0.000 0.452 273 K N 0.070 120.509 120.400 0.066 0.000 2.076 273 K HA -0.002 4.318 4.320 -0.000 0.000 0.204 273 K C 1.931 178.530 176.600 -0.001 0.000 1.051 273 K CA 0.984 57.285 56.287 0.025 0.000 0.949 273 K CB -0.105 32.421 32.500 0.044 0.000 0.726 273 K HN 0.178 nan 8.250 nan 0.000 0.443 274 A N 0.345 123.131 122.820 -0.058 0.000 1.930 274 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 274 A C 1.594 179.193 177.584 0.025 0.000 1.175 274 A CA 1.655 53.669 52.037 -0.038 0.000 0.627 274 A CB -0.626 18.270 19.000 -0.174 0.000 0.815 274 A HN 0.621 nan 8.150 nan 0.000 0.443 275 G N -3.538 105.259 108.800 -0.006 0.000 2.154 275 G HA2 0.422 4.382 3.960 -0.000 0.000 0.186 275 G HA3 0.422 4.382 3.960 -0.000 0.000 0.186 275 G C 0.959 175.804 174.900 -0.092 0.000 1.000 275 G CA 0.313 45.392 45.100 -0.036 0.000 0.664 275 G HN 2.352 nan 8.290 nan 0.000 0.513 276 G N -1.797 106.962 108.800 -0.068 0.000 2.351 276 G HA2 0.325 4.285 3.960 -0.000 0.000 0.353 276 G HA3 0.325 4.285 3.960 -0.000 0.000 0.353 276 G C 0.576 175.532 174.900 0.093 0.000 1.358 276 G CA -0.136 44.920 45.100 -0.073 0.000 0.995 276 G HN 0.849 nan 8.290 nan 0.000 0.611 277 L N -0.170 121.121 121.223 0.113 0.000 2.056 277 L HA 0.036 4.375 4.340 -0.000 0.000 0.207 277 L C 2.910 179.810 176.870 0.050 0.000 1.078 277 L CA 1.416 56.264 54.840 0.012 0.000 0.749 277 L CB -0.388 41.473 42.059 -0.330 0.000 0.901 277 L HN 0.521 nan 8.230 nan 0.000 0.433 278 L N -0.083 121.211 121.223 0.118 0.000 2.027 278 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 278 L C 2.554 179.491 176.870 0.111 0.000 1.074 278 L CA 1.819 56.745 54.840 0.144 0.000 0.745 278 L CB -0.627 41.529 42.059 0.162 0.000 0.898 278 L HN 0.046 nan 8.230 nan 0.000 0.433 279 K N -0.043 120.412 120.400 0.092 0.000 2.097 279 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 279 K C 2.086 178.772 176.600 0.145 0.000 1.049 279 K CA 1.354 57.702 56.287 0.103 0.000 0.933 279 K CB -0.703 31.840 32.500 0.073 0.000 0.717 279 K HN 0.488 nan 8.250 nan 0.000 0.442 280 A N 1.420 124.301 122.820 0.103 0.000 1.933 280 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 280 A C 2.154 179.842 177.584 0.173 0.000 1.175 280 A CA 1.327 53.415 52.037 0.085 0.000 0.628 280 A CB -0.382 18.628 19.000 0.018 0.000 0.814 280 A HN 0.385 nan 8.150 nan 0.000 0.444 281 Q N -0.702 119.188 119.800 0.149 0.000 2.119 281 Q HA -0.146 4.194 4.340 -0.000 0.000 0.201 281 Q C 2.343 178.444 176.000 0.170 0.000 0.972 281 Q CA 1.411 57.309 55.803 0.158 0.000 0.847 281 Q CB -0.159 28.657 28.738 0.130 0.000 0.903 281 Q HN 0.629 nan 8.270 nan 0.000 0.433 282 R N -0.416 120.182 120.500 0.163 0.000 2.073 282 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 282 R C 1.872 178.279 176.300 0.179 0.000 1.134 282 R CA 1.508 57.690 56.100 0.137 0.000 0.952 282 R CB -0.396 29.974 30.300 0.117 0.000 0.850 282 R HN 0.358 nan 8.270 nan 0.000 0.433 283 W N 1.460 122.772 121.300 0.020 0.000 2.318 283 W HA -0.188 4.472 4.660 0.000 0.000 0.313 283 W C 1.586 178.108 176.519 0.005 0.000 1.221 283 W CA 1.358 58.710 57.345 0.011 0.000 1.266 283 W CB -0.117 29.362 29.460 0.032 0.000 1.150 283 W HN 0.004 nan 8.180 nan 0.000 0.496 284 L N -0.315 121.199 121.223 0.486 0.000 2.362 284 L HA -0.163 4.177 4.340 -0.000 0.000 0.219 284 L C 2.252 179.169 176.870 0.080 0.000 1.134 284 L CA 1.234 56.294 54.840 0.366 0.000 0.807 284 L CB -0.958 41.319 42.059 0.364 0.000 0.927 284 L HN -0.068 nan 8.230 nan 0.000 0.447 285 T N -0.037 114.542 114.554 0.041 0.000 2.812 285 T HA -0.098 4.252 4.350 -0.000 0.000 0.264 285 T C 1.841 176.437 174.700 -0.174 0.000 1.042 285 T CA 0.993 63.056 62.100 -0.061 0.000 1.140 285 T CB -0.037 68.821 68.868 -0.017 0.000 0.870 285 T HN 0.054 nan 8.240 nan 0.000 0.445 286 L N 1.164 122.285 121.223 -0.170 0.000 2.093 286 L HA 0.145 4.485 4.340 -0.000 0.000 0.208 286 L C 2.745 179.412 176.870 -0.338 0.000 1.085 286 L CA 1.224 55.913 54.840 -0.251 0.000 0.755 286 L CB -1.086 40.803 42.059 -0.283 0.000 0.904 286 L HN 0.206 nan 8.230 nan 0.000 0.435 287 A N -0.503 122.110 122.820 -0.345 0.000 1.933 287 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 287 A C 2.521 179.726 177.584 -0.632 0.000 1.175 287 A CA 1.754 53.591 52.037 -0.333 0.000 0.628 287 A CB -0.559 18.436 19.000 -0.007 0.000 0.814 287 A HN 0.386 nan 8.150 nan 0.000 0.444 288 R N -0.652 119.235 120.500 -1.022 0.000 2.081 288 R HA -0.139 4.200 4.340 -0.000 0.000 0.235 288 R C 2.031 177.812 176.300 -0.864 0.000 1.131 288 R CA 1.790 56.888 56.100 -1.669 0.000 0.960 288 R CB -0.452 29.229 30.300 -1.032 0.000 0.856 288 R HN 0.426 nan 8.270 nan 0.000 0.436 289 L N 0.820 121.750 121.223 -0.489 0.000 2.083 289 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 289 L C 2.087 178.813 176.870 -0.240 0.000 1.083 289 L CA 2.137 56.803 54.840 -0.291 0.000 0.752 289 L CB -0.547 41.385 42.059 -0.212 0.000 0.899 289 L HN 0.261 nan 8.230 nan 0.000 0.433 290 A N -0.755 121.908 122.820 -0.262 0.000 2.206 290 A HA -0.023 4.297 4.320 -0.000 0.000 0.211 290 A C 1.205 178.724 177.584 -0.108 0.000 1.158 290 A CA 0.699 52.631 52.037 -0.175 0.000 0.761 290 A CB -0.753 18.134 19.000 -0.189 0.000 0.801 290 A HN 0.699 nan 8.150 nan 0.000 0.473 291 N N -1.327 117.290 118.700 -0.138 0.000 2.727 291 N HA -0.145 4.595 4.740 -0.000 0.000 0.249 291 N C -0.695 174.976 175.510 0.269 0.000 1.048 291 N CA 0.780 53.905 53.050 0.125 0.000 0.714 291 N CB -1.819 36.739 38.487 0.118 0.000 0.959 291 N HN 0.496 nan 8.380 nan 0.000 0.544 292 L N 0.014 121.377 121.223 0.233 0.000 2.334 292 L HA 0.661 5.001 4.340 -0.000 0.000 0.273 292 L C -1.754 175.181 176.870 0.108 0.000 1.013 292 L CA -1.979 52.912 54.840 0.084 0.000 0.816 292 L CB 1.687 43.686 42.059 -0.099 0.000 1.278 292 L HN -0.000 nan 8.230 nan 0.000 0.431 293 P HA 0.150 nan 4.420 nan 0.000 0.274 293 P C -1.124 175.817 177.300 -0.599 0.000 1.231 293 P CA -0.217 62.206 63.100 -1.129 0.000 0.790 293 P CB 1.580 32.707 31.700 -0.955 0.000 0.951 294 V N 3.626 123.169 119.914 -0.619 0.000 2.525 294 V HA 0.384 4.504 4.120 -0.000 0.000 0.299 294 V C 0.206 176.345 176.094 0.074 0.000 1.034 294 V CA -0.466 61.841 62.300 0.010 0.000 0.863 294 V CB 1.695 33.731 31.823 0.355 0.000 0.999 294 V HN 0.388 nan 8.190 nan 0.000 0.423 295 I N 4.053 124.685 120.570 0.104 0.000 2.389 295 I HA 0.391 4.561 4.170 -0.000 0.000 0.288 295 I C -0.116 176.083 176.117 0.138 0.000 0.999 295 I CA -0.293 61.092 61.300 0.142 0.000 1.129 295 I CB 1.606 39.670 38.000 0.107 0.000 1.288 295 I HN 0.640 nan 8.210 nan 0.000 0.444 296 C N 6.160 125.542 119.300 0.136 0.000 2.369 296 C HA 0.767 5.227 4.460 -0.000 0.000 0.358 296 C C 1.040 176.098 174.990 0.113 0.000 1.274 296 C CA -0.009 59.057 59.018 0.080 0.000 1.935 296 C CB -0.466 27.306 27.740 0.053 0.000 2.431 296 C HN 0.982 nan 8.230 nan 0.000 0.545 297 G N 3.164 112.012 108.800 0.080 0.000 2.849 297 G HA2 0.764 4.724 3.960 -0.000 0.000 0.174 297 G HA3 0.764 4.724 3.960 -0.000 0.000 0.174 297 G C -0.369 174.560 174.900 0.049 0.000 1.370 297 G CA 0.237 45.386 45.100 0.082 0.000 1.040 297 G HN 1.461 nan 8.290 nan 0.000 0.582 298 C N -3.058 116.251 119.300 0.014 0.000 3.295 298 C HA 0.736 5.195 4.460 -0.000 0.000 0.341 298 C C -0.823 174.142 174.990 -0.042 0.000 1.418 298 C CA -1.081 57.943 59.018 0.011 0.000 1.240 298 C CB 1.008 28.778 27.740 0.049 0.000 1.562 298 C HN 0.504 nan 8.230 nan 0.000 0.457 299 M N 2.637 122.227 119.600 -0.016 0.000 2.268 299 M HA 0.283 4.762 4.480 -0.000 0.000 0.340 299 M C 0.058 176.350 176.300 -0.013 0.000 1.099 299 M CA -0.361 54.913 55.300 -0.044 0.000 1.053 299 M CB 0.678 33.277 32.600 -0.001 0.000 1.284 299 M HN 0.691 nan 8.290 nan 0.000 0.410 300 V N 3.094 122.996 119.914 -0.020 0.000 3.266 300 V HA -0.108 4.012 4.120 -0.000 0.000 0.279 300 V C 1.073 177.173 176.094 0.010 0.000 1.206 300 V CA 1.053 63.357 62.300 0.007 0.000 1.291 300 V CB -1.603 30.204 31.823 -0.027 0.000 0.753 300 V HN 0.992 nan 8.190 nan 0.000 0.385 301 G N 3.391 112.206 108.800 0.025 0.000 2.721 301 G HA2 0.693 4.653 3.960 -0.000 0.000 0.296 301 G HA3 0.693 4.653 3.960 -0.000 0.000 0.296 301 G C -0.241 174.683 174.900 0.040 0.000 1.383 301 G CA -0.079 45.038 45.100 0.028 0.000 0.788 301 G HN 0.940 nan 8.290 nan 0.000 0.500 302 S N -1.188 114.545 115.700 0.055 0.000 2.634 302 S HA 0.393 4.863 4.470 -0.000 0.000 0.254 302 S C 1.861 176.526 174.600 0.108 0.000 1.299 302 S CA 0.691 58.946 58.200 0.092 0.000 0.974 302 S CB 0.562 63.815 63.200 0.088 0.000 1.001 302 S HN 1.606 nan 8.310 nan 0.000 0.584 303 G N -0.617 108.261 108.800 0.130 0.000 2.509 303 G HA2 -0.062 3.897 3.960 -0.000 0.000 0.218 303 G HA3 -0.062 3.897 3.960 -0.000 0.000 0.218 303 G C 1.141 176.098 174.900 0.095 0.000 1.124 303 G CA 0.688 45.873 45.100 0.141 0.000 0.776 303 G HN 0.595 nan 8.290 nan 0.000 0.547 304 L N 0.288 121.554 121.223 0.072 0.000 2.179 304 L HA 0.173 4.513 4.340 -0.000 0.000 0.208 304 L C 2.376 179.253 176.870 0.011 0.000 1.096 304 L CA 1.654 56.521 54.840 0.045 0.000 0.779 304 L CB -0.218 41.871 42.059 0.049 0.000 0.922 304 L HN 0.192 nan 8.230 nan 0.000 0.443 305 E N 0.145 120.361 120.200 0.026 0.000 2.150 305 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 305 E C 1.867 178.442 176.600 -0.042 0.000 0.985 305 E CA 1.131 57.529 56.400 -0.003 0.000 0.814 305 E CB 0.104 29.827 29.700 0.039 0.000 0.752 305 E HN 0.549 nan 8.360 nan 0.000 0.466 306 A N 0.169 123.006 122.820 0.028 0.000 2.119 306 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 306 A C 2.347 179.934 177.584 0.004 0.000 1.152 306 A CA 0.930 53.003 52.037 0.060 0.000 0.708 306 A CB -0.145 18.981 19.000 0.210 0.000 0.805 306 A HN 0.214 nan 8.150 nan 0.000 0.460 307 S N 0.886 116.577 115.700 -0.014 0.000 2.348 307 S HA -0.084 4.386 4.470 -0.000 0.000 0.221 307 S C -0.319 174.298 174.600 0.028 0.000 1.033 307 S CA 1.730 59.944 58.200 0.023 0.000 1.010 307 S CB -1.140 62.098 63.200 0.063 0.000 0.891 307 S HN 0.452 nan 8.310 nan 0.000 0.442 308 P HA -0.077 nan 4.420 nan 0.000 0.215 308 P C 1.438 178.650 177.300 -0.147 0.000 1.157 308 P CA 1.575 64.492 63.100 -0.305 0.000 0.874 308 P CB -0.127 30.957 31.700 -1.027 0.000 0.790 309 A N -0.247 122.476 122.820 -0.163 0.000 1.930 309 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 309 A C 2.315 179.888 177.584 -0.019 0.000 1.175 309 A CA 1.979 53.978 52.037 -0.063 0.000 0.627 309 A CB -1.607 17.367 19.000 -0.042 0.000 0.815 309 A HN 0.185 nan 8.150 nan 0.000 0.443 310 A N -0.786 122.014 122.820 -0.034 0.000 1.883 310 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 310 A C 2.089 179.620 177.584 -0.089 0.000 1.186 310 A CA 1.693 53.675 52.037 -0.091 0.000 0.624 310 A CB -1.017 17.887 19.000 -0.160 0.000 0.822 310 A HN 0.681 nan 8.150 nan 0.000 0.444 311 H N -1.323 117.754 119.070 0.012 0.000 2.353 311 H HA -0.109 4.447 4.556 -0.000 0.000 0.300 311 H C 2.155 177.521 175.328 0.063 0.000 1.090 311 H CA 1.819 57.920 56.048 0.089 0.000 1.327 311 H CB -0.377 29.434 29.762 0.082 0.000 1.383 311 H HN 0.426 nan 8.280 nan 0.000 0.508 312 L N 1.245 122.550 121.223 0.136 0.000 2.017 312 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 312 L C 2.251 179.162 176.870 0.069 0.000 1.073 312 L CA 1.349 56.242 54.840 0.088 0.000 0.745 312 L CB -0.694 41.393 42.059 0.048 0.000 0.894 312 L HN 0.135 nan 8.230 nan 0.000 0.432 313 L N -0.850 120.396 121.223 0.038 0.000 2.376 313 L HA -0.043 4.297 4.340 -0.000 0.000 0.219 313 L C 2.365 179.224 176.870 -0.018 0.000 1.133 313 L CA 0.796 55.649 54.840 0.022 0.000 0.816 313 L CB -0.935 41.132 42.059 0.014 0.000 0.933 313 L HN 0.370 nan 8.230 nan 0.000 0.449 314 A N -0.416 122.381 122.820 -0.039 0.000 2.147 314 A HA 0.353 4.673 4.320 -0.000 0.000 0.211 314 A C 2.325 179.868 177.584 -0.069 0.000 1.160 314 A CA 0.955 52.932 52.037 -0.101 0.000 0.781 314 A CB -0.053 18.835 19.000 -0.187 0.000 0.842 314 A HN 0.312 nan 8.150 nan 0.000 0.475 315 A N -0.248 122.582 122.820 0.017 0.000 1.920 315 A HA 0.132 4.452 4.320 -0.000 0.000 0.209 315 A C 1.124 178.748 177.584 0.067 0.000 1.229 315 A CA 0.134 52.207 52.037 0.061 0.000 0.671 315 A CB -0.350 18.740 19.000 0.150 0.000 0.886 315 A HN 0.416 nan 8.150 nan 0.000 0.461 316 N N 1.086 119.838 118.700 0.087 0.000 2.434 316 N HA -0.063 4.677 4.740 -0.000 0.000 0.268 316 N C 0.093 175.666 175.510 0.104 0.000 1.256 316 N CA 0.438 53.559 53.050 0.119 0.000 0.914 316 N CB 0.835 39.415 38.487 0.155 0.000 1.088 316 N HN 0.346 nan 8.380 nan 0.000 0.478 317 D N 4.413 124.881 120.400 0.114 0.000 2.149 317 D HA -0.191 4.449 4.640 -0.000 0.000 0.198 317 D C 1.573 177.928 176.300 0.093 0.000 0.990 317 D CA 1.317 55.366 54.000 0.083 0.000 0.839 317 D CB -0.002 40.861 40.800 0.106 0.000 0.948 317 D HN 0.682 nan 8.370 nan 0.000 0.460 318 W N 0.663 121.994 121.300 0.050 0.000 2.378 318 W HA -0.106 4.554 4.660 -0.000 0.000 0.313 318 W C 2.047 178.639 176.519 0.123 0.000 1.197 318 W CA 0.580 57.980 57.345 0.092 0.000 1.304 318 W CB -0.587 28.966 29.460 0.155 0.000 1.148 318 W HN 0.019 nan 8.180 nan 0.000 0.494 319 I N 1.548 122.239 120.570 0.202 0.000 2.830 319 I HA -0.165 4.005 4.170 -0.000 0.000 0.263 319 I C 2.145 178.251 176.117 -0.018 0.000 1.230 319 I CA 1.204 62.614 61.300 0.184 0.000 1.480 319 I CB -0.383 37.763 38.000 0.244 0.000 1.095 319 I HN -0.053 nan 8.210 nan 0.000 0.455 320 A N -0.308 122.443 122.820 -0.116 0.000 2.255 320 A HA -0.102 4.218 4.320 -0.000 0.000 0.206 320 A C 1.914 179.294 177.584 -0.340 0.000 1.193 320 A CA 0.680 52.615 52.037 -0.169 0.000 0.794 320 A CB -0.407 18.518 19.000 -0.124 0.000 0.794 320 A HN 0.594 nan 8.150 nan 0.000 0.481 321 Q N -1.520 117.878 119.800 -0.670 0.000 2.396 321 Q HA 0.225 4.565 4.340 -0.000 0.000 0.209 321 Q C -0.857 174.505 176.000 -1.064 0.000 0.906 321 Q CA 0.225 55.398 55.803 -1.051 0.000 0.927 321 Q CB 0.445 28.127 28.738 -1.761 0.000 1.069 321 Q HN 0.688 nan 8.270 nan 0.000 0.523 322 F N 0.752 120.620 119.950 -0.137 0.000 2.561 322 F HA 0.452 4.979 4.527 -0.000 0.000 0.321 322 F C -2.240 173.553 175.800 -0.012 0.000 1.065 322 F CA -3.369 54.589 58.000 -0.069 0.000 0.934 322 F CB 0.621 39.591 39.000 -0.051 0.000 1.215 322 F HN -0.220 nan 8.300 nan 0.000 0.471 323 P HA 0.093 nan 4.420 nan 0.000 0.269 323 P C -1.058 176.461 177.300 0.364 0.000 1.209 323 P CA -0.115 63.120 63.100 0.226 0.000 0.776 323 P CB 1.130 33.041 31.700 0.351 0.000 0.876 324 Q N 1.105 121.085 119.800 0.300 0.000 2.576 324 Q HA 0.348 4.688 4.340 -0.000 0.000 0.249 324 Q C 0.143 176.365 176.000 0.370 0.000 1.041 324 Q CA -0.464 55.523 55.803 0.307 0.000 0.928 324 Q CB 1.281 30.124 28.738 0.175 0.000 1.302 324 Q HN 0.551 nan 8.270 nan 0.000 0.504 325 E N 0.957 121.344 120.200 0.312 0.000 3.521 325 E HA 0.068 4.418 4.350 -0.000 0.000 0.183 325 E C -0.853 175.867 176.600 0.200 0.000 0.981 325 E CA -0.069 56.503 56.400 0.287 0.000 1.349 325 E CB 0.216 30.164 29.700 0.413 0.000 1.102 325 E HN 0.462 nan 8.360 nan 0.000 0.449 326 N N 0.722 119.536 118.700 0.190 0.000 2.868 326 N HA 0.241 4.981 4.740 -0.000 0.000 0.252 326 N C -0.593 175.069 175.510 0.253 0.000 1.130 326 N CA 0.113 53.269 53.050 0.176 0.000 1.026 326 N CB 0.788 39.359 38.487 0.139 0.000 1.335 326 N HN 0.156 nan 8.380 nan 0.000 0.516 327 A N 1.677 124.571 122.820 0.123 0.000 2.795 327 A HA 0.430 4.749 4.320 -0.000 0.000 0.282 327 A C 1.506 178.920 177.584 -0.284 0.000 0.964 327 A CA -0.236 51.729 52.037 -0.120 0.000 1.045 327 A CB -0.281 18.557 19.000 -0.270 0.000 1.174 327 A HN 0.557 nan 8.150 nan 0.000 0.493 328 G N 1.588 110.366 108.800 -0.037 0.000 2.476 328 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 328 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 328 G C -0.320 174.526 174.900 -0.089 0.000 1.164 328 G CA 1.625 46.732 45.100 0.012 0.000 0.768 328 G HN 0.478 nan 8.290 nan 0.000 0.560 329 P HA -0.042 nan 4.420 nan 0.000 0.216 329 P C 1.954 179.169 177.300 -0.141 0.000 1.150 329 P CA 0.705 63.771 63.100 -0.057 0.000 0.837 329 P CB -0.119 31.574 31.700 -0.011 0.000 0.786 330 L N -2.307 118.648 121.223 -0.446 0.000 2.275 330 L HA -0.160 4.180 4.340 -0.000 0.000 0.215 330 L C 2.211 178.892 176.870 -0.316 0.000 1.119 330 L CA 1.397 55.986 54.840 -0.417 0.000 0.790 330 L CB -0.913 40.786 42.059 -0.601 0.000 0.919 330 L HN 0.185 nan 8.230 nan 0.000 0.443 331 H N -0.771 118.198 119.070 -0.169 0.000 2.384 331 H HA 0.019 4.575 4.556 -0.000 0.000 0.300 331 H C 2.374 177.613 175.328 -0.149 0.000 1.057 331 H CA 0.743 56.703 56.048 -0.146 0.000 1.370 331 H CB 0.379 30.061 29.762 -0.133 0.000 1.417 331 H HN 0.153 nan 8.280 nan 0.000 0.527 332 I N 0.489 121.010 120.570 -0.081 0.000 2.202 332 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 332 I C 1.549 177.455 176.117 -0.352 0.000 1.091 332 I CA 1.276 62.426 61.300 -0.250 0.000 1.368 332 I CB -0.141 37.623 38.000 -0.393 0.000 1.058 332 I HN 0.477 nan 8.210 nan 0.000 0.410 333 H N 0.101 119.145 119.070 -0.044 0.000 2.539 333 H HA 0.007 4.562 4.556 -0.000 0.000 0.267 333 H C 0.000 175.300 175.328 -0.047 0.000 0.982 333 H CA 0.386 56.409 56.048 -0.042 0.000 1.146 333 H CB -0.398 29.335 29.762 -0.048 0.000 1.382 333 H HN 0.264 nan 8.280 nan 0.000 0.577 334 D N 0.906 121.308 120.400 0.002 0.000 2.735 334 D HA -0.175 4.465 4.640 -0.000 0.000 0.235 334 D C -0.302 175.990 176.300 -0.014 0.000 1.175 334 D CA 0.675 54.668 54.000 -0.012 0.000 0.683 334 D CB -1.318 39.477 40.800 -0.009 0.000 1.008 334 D HN 0.536 nan 8.370 nan 0.000 0.416 335 C N -1.984 117.294 119.300 -0.037 0.000 3.285 335 C HA 0.741 5.201 4.460 -0.000 0.000 0.320 335 C C 1.430 176.376 174.990 -0.073 0.000 1.411 335 C CA -1.093 57.905 59.018 -0.035 0.000 1.429 335 C CB 1.059 28.795 27.740 -0.005 0.000 1.812 335 C HN 0.213 nan 8.230 nan 0.000 0.454 336 L N 1.231 122.445 121.223 -0.015 0.000 2.766 336 L HA 0.304 4.644 4.340 -0.000 0.000 0.242 336 L C -0.178 176.794 176.870 0.170 0.000 1.136 336 L CA 0.335 55.207 54.840 0.053 0.000 0.933 336 L CB -0.567 41.559 42.059 0.111 0.000 1.241 336 L HN 0.935 nan 8.230 nan 0.000 0.522 337 N N -3.218 115.538 118.700 0.093 0.000 2.591 337 N HA 0.083 4.823 4.740 -0.000 0.000 0.263 337 N C 0.326 175.897 175.510 0.102 0.000 1.308 337 N CA -0.244 52.891 53.050 0.141 0.000 0.837 337 N CB 0.873 39.432 38.487 0.119 0.000 1.548 337 N HN -0.127 nan 8.380 nan 0.000 0.493 338 S N -0.112 115.699 115.700 0.184 0.000 2.522 338 S HA -0.144 4.326 4.470 -0.000 0.000 0.227 338 S C 1.431 176.063 174.600 0.054 0.000 0.986 338 S CA 0.515 58.800 58.200 0.141 0.000 0.929 338 S CB -0.509 62.856 63.200 0.276 0.000 0.769 338 S HN 0.739 nan 8.310 nan 0.000 0.529 339 R N 1.371 121.899 120.500 0.046 0.000 2.152 339 R HA 0.023 4.363 4.340 -0.000 0.000 0.232 339 R C 0.428 176.724 176.300 -0.006 0.000 1.117 339 R CA 1.491 57.598 56.100 0.012 0.000 0.981 339 R CB -0.722 29.585 30.300 0.011 0.000 0.870 339 R HN 0.249 nan 8.270 nan 0.000 0.451 340 D N 0.896 121.293 120.400 -0.004 0.000 2.324 340 D HA 0.167 4.807 4.640 -0.000 0.000 0.235 340 D C 0.103 176.370 176.300 -0.055 0.000 1.095 340 D CA 0.460 54.450 54.000 -0.017 0.000 0.871 340 D CB 0.132 40.930 40.800 -0.002 0.000 0.906 340 D HN 0.320 nan 8.370 nan 0.000 0.522 341 I N 1.165 121.676 120.570 -0.098 0.000 2.433 341 I HA 0.147 4.317 4.170 -0.000 0.000 0.292 341 I C 0.524 176.530 176.117 -0.185 0.000 1.001 341 I CA -0.433 60.724 61.300 -0.238 0.000 1.119 341 I CB 1.976 39.770 38.000 -0.343 0.000 1.289 341 I HN -0.234 nan 8.210 nan 0.000 0.438 342 D N 3.246 123.530 120.400 -0.194 0.000 2.460 342 D HA -0.034 4.606 4.640 -0.000 0.000 0.263 342 D C 0.118 176.373 176.300 -0.076 0.000 1.209 342 D CA 0.064 54.002 54.000 -0.102 0.000 0.818 342 D CB 0.120 40.887 40.800 -0.054 0.000 1.239 342 D HN 0.525 nan 8.370 nan 0.000 0.530 343 N N 0.499 119.145 118.700 -0.091 0.000 2.599 343 N HA 0.117 4.857 4.740 -0.000 0.000 0.309 343 N C -1.208 174.356 175.510 0.089 0.000 1.743 343 N CA -0.269 52.788 53.050 0.011 0.000 0.918 343 N CB 0.814 39.335 38.487 0.056 0.000 1.339 343 N HN 0.021 nan 8.380 nan 0.000 0.493 344 D N 0.184 120.600 120.400 0.026 0.000 2.294 344 D HA 0.148 4.788 4.640 -0.000 0.000 0.250 344 D C 1.881 178.236 176.300 0.092 0.000 1.058 344 D CA -0.634 53.453 54.000 0.146 0.000 0.950 344 D CB 1.255 42.121 40.800 0.110 0.000 1.158 344 D HN 0.263 nan 8.370 nan 0.000 0.453 345 I N -0.372 120.257 120.570 0.099 0.000 2.916 345 I HA 0.126 4.296 4.170 -0.000 0.000 0.267 345 I C 0.600 176.750 176.117 0.056 0.000 1.263 345 I CA 0.155 61.495 61.300 0.067 0.000 1.471 345 I CB -0.357 37.680 38.000 0.061 0.000 1.089 345 I HN 0.139 nan 8.210 nan 0.000 0.468 346 A N 1.405 124.263 122.820 0.062 0.000 2.269 346 A HA 0.526 4.846 4.320 -0.000 0.000 0.302 346 A C 0.952 178.557 177.584 0.035 0.000 1.266 346 A CA -0.552 51.515 52.037 0.051 0.000 0.894 346 A CB 0.575 19.613 19.000 0.064 0.000 1.147 346 A HN 0.421 nan 8.150 nan 0.000 0.537 347 L N 1.591 122.830 121.223 0.027 0.000 2.131 347 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 347 L C 0.719 177.596 176.870 0.012 0.000 1.092 347 L CA 0.962 55.812 54.840 0.016 0.000 0.759 347 L CB -0.216 41.851 42.059 0.015 0.000 0.903 347 L HN 0.899 nan 8.230 nan 0.000 0.435 348 N N -0.796 117.916 118.700 0.021 0.000 2.851 348 N HA 0.164 4.904 4.740 -0.000 0.000 0.248 348 N C -0.837 174.694 175.510 0.036 0.000 1.221 348 N CA -0.400 52.662 53.050 0.020 0.000 0.847 348 N CB 0.426 38.923 38.487 0.017 0.000 1.150 348 N HN -0.250 nan 8.380 nan 0.000 0.507 349 V N 1.990 121.931 119.914 0.044 0.000 2.599 349 V HA 0.122 4.242 4.120 -0.000 0.000 0.300 349 V C -1.645 174.503 176.094 0.090 0.000 1.034 349 V CA -0.706 61.647 62.300 0.088 0.000 1.115 349 V CB -0.045 31.839 31.823 0.101 0.000 0.934 349 V HN 0.452 nan 8.190 nan 0.000 0.485 350 P HA 0.037 nan 4.420 nan 0.000 0.266 350 P C -0.172 177.098 177.300 -0.050 0.000 1.193 350 P CA -0.149 62.935 63.100 -0.026 0.000 0.770 350 P CB 0.343 31.978 31.700 -0.109 0.000 0.836 351 R N 2.759 123.211 120.500 -0.080 0.000 2.370 351 R HA 0.208 4.548 4.340 -0.000 0.000 0.309 351 R C -1.062 175.199 176.300 -0.065 0.000 1.059 351 R CA 0.114 56.199 56.100 -0.025 0.000 0.981 351 R CB -0.452 29.798 30.300 -0.083 0.000 0.972 351 R HN 0.297 nan 8.270 nan 0.000 0.437 352 F N 3.648 123.672 119.950 0.122 0.000 2.347 352 F HA 0.353 4.880 4.527 -0.000 0.000 0.366 352 F C 0.003 175.870 175.800 0.111 0.000 1.107 352 F CA -0.354 57.723 58.000 0.128 0.000 1.058 352 F CB 1.490 40.549 39.000 0.097 0.000 1.236 352 F HN 0.432 nan 8.300 nan 0.000 0.456 353 E N 1.183 121.552 120.200 0.282 0.000 2.292 353 E HA 0.383 4.733 4.350 -0.000 0.000 0.272 353 E C 0.303 176.991 176.600 0.147 0.000 0.881 353 E CA -0.689 55.827 56.400 0.192 0.000 0.754 353 E CB 2.085 31.881 29.700 0.160 0.000 1.201 353 E HN 0.753 nan 8.360 nan 0.000 0.425 354 G N 1.925 110.748 108.800 0.038 0.000 2.402 354 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.300 354 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.300 354 G C 0.856 175.601 174.900 -0.258 0.000 0.987 354 G CA 1.115 46.192 45.100 -0.037 0.000 0.881 354 G HN 1.128 nan 8.290 nan 0.000 0.512 355 G N -2.930 105.473 108.800 -0.662 0.000 2.137 355 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.237 355 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.237 355 G C 0.031 174.474 174.900 -0.762 0.000 1.002 355 G CA 0.640 44.965 45.100 -1.292 0.000 0.702 355 G HN 1.325 nan 8.290 nan 0.000 0.515 356 Y N -1.633 118.519 120.300 -0.246 0.000 2.477 356 Y HA 0.694 5.244 4.550 -0.000 0.000 0.347 356 Y C -0.017 175.741 175.900 -0.237 0.000 0.981 356 Y CA -1.249 56.717 58.100 -0.223 0.000 1.033 356 Y CB 1.972 40.248 38.460 -0.307 0.000 1.245 356 Y HN 0.262 nan 8.280 nan 0.000 0.455 357 L N 3.416 124.525 121.223 -0.190 0.000 2.317 357 L HA 0.589 4.929 4.340 -0.000 0.000 0.281 357 L C -1.925 174.679 176.870 -0.444 0.000 1.024 357 L CA -0.924 53.691 54.840 -0.375 0.000 0.810 357 L CB 0.539 42.359 42.059 -0.399 0.000 1.240 357 L HN 0.510 nan 8.230 nan 0.000 0.427 358 Y N 5.706 125.825 120.300 -0.302 0.000 2.341 358 Y HA 0.572 5.122 4.550 -0.000 0.000 0.338 358 Y C -2.076 173.674 175.900 -0.250 0.000 0.965 358 Y CA -2.040 55.925 58.100 -0.225 0.000 1.108 358 Y CB 1.410 39.766 38.460 -0.173 0.000 1.180 358 Y HN 0.540 nan 8.280 nan 0.000 0.458 359 P HA 0.079 nan 4.420 nan 0.000 0.277 359 P C -0.842 176.415 177.300 -0.072 0.000 1.240 359 P CA -0.275 62.704 63.100 -0.201 0.000 0.798 359 P CB 1.199 32.717 31.700 -0.304 0.000 0.979 360 N N 0.607 119.265 118.700 -0.069 0.000 2.399 360 N HA 0.038 4.778 4.740 -0.000 0.000 0.250 360 N C 0.458 176.060 175.510 0.154 0.000 1.272 360 N CA -0.269 52.807 53.050 0.044 0.000 0.928 360 N CB 0.433 38.957 38.487 0.061 0.000 1.158 360 N HN 0.429 nan 8.380 nan 0.000 0.463 361 D N -0.206 120.278 120.400 0.140 0.000 2.431 361 D HA 0.108 4.748 4.640 -0.000 0.000 0.213 361 D C 0.682 177.033 176.300 0.084 0.000 1.130 361 D CA -0.003 54.103 54.000 0.177 0.000 0.834 361 D CB 0.456 41.352 40.800 0.161 0.000 0.985 361 D HN 0.514 nan 8.370 nan 0.000 0.504 362 G N 1.593 110.432 108.800 0.064 0.000 2.580 362 G HA2 0.372 4.332 3.960 -0.000 0.000 0.278 362 G HA3 0.372 4.332 3.960 -0.000 0.000 0.278 362 G C -2.575 172.322 174.900 -0.005 0.000 1.212 362 G CA -0.917 44.200 45.100 0.027 0.000 0.939 362 G HN -0.151 nan 8.290 nan 0.000 0.513 363 P HA 0.230 nan 4.420 nan 0.000 0.268 363 P C 1.049 178.307 177.300 -0.070 0.000 1.208 363 P CA 1.453 64.524 63.100 -0.048 0.000 0.777 363 P CB 0.587 32.270 31.700 -0.028 0.000 0.875 364 G N 1.395 110.124 108.800 -0.118 0.000 2.566 364 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.280 364 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.280 364 G C 0.820 175.594 174.900 -0.210 0.000 1.225 364 G CA 0.219 45.230 45.100 -0.148 0.000 0.966 364 G HN 0.492 nan 8.290 nan 0.000 0.560 365 L N 2.014 123.154 121.223 -0.138 0.000 2.465 365 L HA 0.287 4.627 4.340 -0.000 0.000 0.224 365 L C 2.439 179.394 176.870 0.143 0.000 1.145 365 L CA 1.201 55.997 54.840 -0.074 0.000 0.834 365 L CB -0.624 41.423 42.059 -0.021 0.000 0.944 365 L HN 2.062 nan 8.230 nan 0.000 0.451 366 G N 0.482 109.321 108.800 0.065 0.000 2.147 366 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.244 366 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.244 366 G C 0.069 175.007 174.900 0.062 0.000 1.005 366 G CA -0.177 44.972 45.100 0.082 0.000 0.713 366 G HN 0.161 nan 8.290 nan 0.000 0.515 367 I N 0.317 120.914 120.570 0.046 0.000 2.474 367 I HA 0.475 4.645 4.170 -0.000 0.000 0.294 367 I C 0.113 176.245 176.117 0.025 0.000 1.005 367 I CA -0.895 60.429 61.300 0.039 0.000 1.113 367 I CB 1.726 39.752 38.000 0.043 0.000 1.289 367 I HN 0.136 nan 8.210 nan 0.000 0.436 368 E N 5.839 126.054 120.200 0.025 0.000 2.176 368 E HA 0.493 4.843 4.350 -0.000 0.000 0.267 368 E C -1.012 175.601 176.600 0.023 0.000 0.893 368 E CA -0.693 55.718 56.400 0.019 0.000 0.761 368 E CB 2.643 32.352 29.700 0.016 0.000 1.133 368 E HN 0.393 nan 8.360 nan 0.000 0.409 369 L N 2.681 123.917 121.223 0.022 0.000 2.371 369 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 369 L C 0.647 177.533 176.870 0.025 0.000 1.124 369 L CA -0.576 54.280 54.840 0.026 0.000 0.816 369 L CB 0.471 42.546 42.059 0.026 0.000 1.129 369 L HN 0.421 nan 8.230 nan 0.000 0.448 370 N N 2.652 121.369 118.700 0.028 0.000 2.508 370 N HA -0.020 4.720 4.740 -0.000 0.000 0.253 370 N C 0.814 176.341 175.510 0.028 0.000 1.145 370 N CA -0.031 53.035 53.050 0.026 0.000 0.973 370 N CB 0.710 39.214 38.487 0.028 0.000 1.305 370 N HN 0.527 nan 8.380 nan 0.000 0.506 371 E N 2.312 122.528 120.200 0.026 0.000 2.070 371 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 371 E C 0.870 177.487 176.600 0.027 0.000 1.004 371 E CA 1.815 58.232 56.400 0.028 0.000 0.805 371 E CB -0.084 29.633 29.700 0.028 0.000 0.744 371 E HN 0.795 nan 8.360 nan 0.000 0.451 372 D N 0.378 120.793 120.400 0.024 0.000 2.219 372 D HA -0.147 4.493 4.640 -0.000 0.000 0.205 372 D C 1.990 178.305 176.300 0.024 0.000 0.970 372 D CA 0.406 54.420 54.000 0.023 0.000 0.851 372 D CB -0.332 40.479 40.800 0.019 0.000 0.943 372 D HN 0.104 nan 8.370 nan 0.000 0.488 373 L N 0.521 121.760 121.223 0.027 0.000 2.156 373 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 373 L C 1.968 178.857 176.870 0.032 0.000 1.095 373 L CA 1.112 55.970 54.840 0.030 0.000 0.770 373 L CB -0.226 41.854 42.059 0.035 0.000 0.914 373 L HN 0.023 nan 8.230 nan 0.000 0.439 374 V N -0.057 119.876 119.914 0.033 0.000 2.358 374 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 374 V C 2.732 178.844 176.094 0.030 0.000 1.047 374 V CA 1.910 64.230 62.300 0.034 0.000 1.035 374 V CB -0.667 31.177 31.823 0.036 0.000 0.658 374 V HN 0.441 nan 8.190 nan 0.000 0.452 375 R N -0.135 120.382 120.500 0.028 0.000 2.091 375 R HA -0.137 4.202 4.340 -0.000 0.000 0.238 375 R C 2.520 178.833 176.300 0.022 0.000 1.136 375 R CA 1.535 57.651 56.100 0.025 0.000 0.959 375 R CB -0.335 29.979 30.300 0.023 0.000 0.856 375 R HN 0.491 nan 8.270 nan 0.000 0.437 376 R N 0.379 120.892 120.500 0.022 0.000 2.148 376 R HA -0.047 4.293 4.340 -0.000 0.000 0.227 376 R C 1.958 178.270 176.300 0.020 0.000 1.103 376 R CA 0.894 57.006 56.100 0.020 0.000 0.983 376 R CB -0.129 30.183 30.300 0.020 0.000 0.874 376 R HN 0.248 nan 8.270 nan 0.000 0.451 377 L N 1.069 122.305 121.223 0.023 0.000 2.591 377 L HA 0.089 4.429 4.340 -0.000 0.000 0.228 377 L C 0.343 177.225 176.870 0.021 0.000 1.133 377 L CA -0.268 54.585 54.840 0.021 0.000 0.880 377 L CB 0.229 42.303 42.059 0.025 0.000 1.033 377 L HN -0.114 nan 8.230 nan 0.000 0.450 378 V N 1.021 120.948 119.914 0.022 0.000 2.584 378 V HA -0.117 4.003 4.120 -0.000 0.000 0.303 378 V C 0.899 177.004 176.094 0.018 0.000 1.035 378 V CA 0.399 62.712 62.300 0.021 0.000 1.172 378 V CB 0.388 32.224 31.823 0.021 0.000 0.896 378 V HN 0.276 nan 8.190 nan 0.000 0.486 379 T N 8.958 123.522 114.554 0.018 0.000 2.778 379 T HA 0.050 4.400 4.350 -0.000 0.000 0.282 379 T C -2.122 172.586 174.700 0.014 0.000 0.983 379 T CA -0.328 61.781 62.100 0.015 0.000 1.193 379 T CB 0.075 68.953 68.868 0.016 0.000 0.938 379 T HN 0.543 nan 8.240 nan 0.000 0.523 380 P HA 0.141 nan 4.420 nan 0.000 0.260 380 P C 1.064 178.371 177.300 0.010 0.000 1.172 380 P CA 0.997 64.103 63.100 0.011 0.000 0.760 380 P CB 0.184 31.890 31.700 0.010 0.000 0.773 381 G N 1.843 110.649 108.800 0.010 0.000 2.176 381 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.253 381 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.253 381 G C 0.050 174.956 174.900 0.010 0.000 0.979 381 G CA -0.061 45.044 45.100 0.009 0.000 0.641 381 G HN 0.545 nan 8.290 nan 0.000 0.530 382 K N -0.187 120.220 120.400 0.011 0.000 2.400 382 K HA 0.848 5.168 4.320 -0.000 0.000 0.246 382 K C -0.247 176.361 176.600 0.014 0.000 0.995 382 K CA -0.208 56.086 56.287 0.012 0.000 0.840 382 K CB 2.358 34.867 32.500 0.014 0.000 1.293 382 K HN 0.708 nan 8.250 nan 0.000 0.445 383 A N 0.545 123.373 122.820 0.014 0.000 2.515 383 A HA 0.771 5.091 4.320 -0.000 0.000 0.296 383 A C -1.222 176.373 177.584 0.019 0.000 1.094 383 A CA -0.756 51.291 52.037 0.016 0.000 0.718 383 A CB 1.466 20.473 19.000 0.012 0.000 1.307 383 A HN 0.726 nan 8.150 nan 0.000 0.408 384 A N 0.509 123.342 122.820 0.023 0.000 2.445 384 A HA 0.566 4.886 4.320 -0.000 0.000 0.242 384 A C 0.490 178.089 177.584 0.025 0.000 1.075 384 A CA 0.143 52.198 52.037 0.029 0.000 0.777 384 A CB 0.085 19.107 19.000 0.036 0.000 1.013 384 A HN 0.893 nan 8.150 nan 0.000 0.493 385 R N 1.406 121.923 120.500 0.028 0.000 2.562 385 R HA 0.614 4.954 4.340 -0.000 0.000 0.298 385 R C -1.757 174.561 176.300 0.029 0.000 0.961 385 R CA -0.405 55.708 56.100 0.022 0.000 0.881 385 R CB 1.516 31.826 30.300 0.017 0.000 1.159 385 R HN 0.504 nan 8.270 nan 0.000 0.450 386 V N 4.548 124.473 119.914 0.018 0.000 2.604 386 V HA 0.509 4.629 4.120 -0.000 0.000 0.305 386 V C -0.742 175.356 176.094 0.006 0.000 1.043 386 V CA -0.771 61.539 62.300 0.017 0.000 0.888 386 V CB 2.029 33.849 31.823 -0.004 0.000 0.995 386 V HN 0.517 nan 8.190 nan 0.000 0.429 387 V N 3.633 123.555 119.914 0.014 0.000 2.577 387 V HA 0.769 4.889 4.120 -0.000 0.000 0.303 387 V C 0.096 176.194 176.094 0.005 0.000 1.042 387 V CA -0.264 62.039 62.300 0.006 0.000 0.872 387 V CB 2.078 33.907 31.823 0.011 0.000 0.998 387 V HN 1.086 nan 8.190 nan 0.000 0.423 388 T N 0.000 114.550 114.554 -0.007 0.000 3.816 388 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 388 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 388 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 388 T HN 0.000 nan 8.240 nan 0.000 0.658