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_F 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 0.000 176.874 176.870 0.007 0.000 1.165 3 L CA 0.000 54.847 54.840 0.011 0.000 0.813 3 L CB 0.000 42.072 42.059 0.022 0.000 0.961 4 K N 1.057 121.461 120.400 0.006 0.000 2.565 4 K HA 0.494 4.814 4.320 0.001 0.000 0.251 4 K C -1.111 175.497 176.600 0.014 0.000 0.956 4 K CA -0.589 55.703 56.287 0.008 0.000 0.809 4 K CB 1.649 34.156 32.500 0.012 0.000 1.267 4 K HN 0.101 nan 8.250 nan 0.000 0.438 5 I N 4.168 124.746 120.570 0.014 0.000 2.517 5 I HA 0.010 4.180 4.170 0.001 0.000 0.285 5 I C 1.300 177.438 176.117 0.034 0.000 1.106 5 I CA 0.249 61.565 61.300 0.028 0.000 1.402 5 I CB 1.151 39.165 38.000 0.024 0.000 1.399 5 I HN 0.811 nan 8.210 nan 0.000 0.535 6 T N 2.103 116.686 114.554 0.048 0.000 3.001 6 T HA 0.174 4.525 4.350 0.001 0.000 0.251 6 T C 0.266 174.980 174.700 0.024 0.000 1.040 6 T CA -0.240 61.879 62.100 0.031 0.000 0.985 6 T CB 0.165 69.047 68.868 0.023 0.000 1.011 6 T HN 0.679 nan 8.240 nan 0.000 0.509 7 K N 0.196 120.630 120.400 0.057 0.000 2.569 7 K HA 0.567 4.888 4.320 0.001 0.000 0.259 7 K C -2.243 174.436 176.600 0.131 0.000 0.932 7 K CA -0.923 55.386 56.287 0.037 0.000 0.833 7 K CB 1.977 34.425 32.500 -0.086 0.000 1.340 7 K HN -0.061 nan 8.250 nan 0.000 0.429 8 V N 2.049 122.021 119.914 0.096 0.000 2.384 8 V HA 0.378 4.499 4.120 0.001 0.000 0.287 8 V C -0.595 175.566 176.094 0.111 0.000 1.020 8 V CA -0.499 61.874 62.300 0.120 0.000 0.850 8 V CB 1.260 33.138 31.823 0.092 0.000 0.987 8 V HN 0.879 nan 8.190 nan 0.000 0.436 9 E N 3.895 124.187 120.200 0.152 0.000 2.199 9 E HA 0.661 5.012 4.350 0.001 0.000 0.265 9 E C -1.793 174.866 176.600 0.099 0.000 0.882 9 E CA -0.503 55.974 56.400 0.128 0.000 0.759 9 E CB 2.196 32.021 29.700 0.208 0.000 1.148 9 E HN 0.472 nan 8.360 nan 0.000 0.412 10 V N 6.320 126.278 119.914 0.074 0.000 2.409 10 V HA 0.419 4.540 4.120 0.001 0.000 0.291 10 V C -0.211 175.916 176.094 0.054 0.000 1.020 10 V CA -0.629 61.710 62.300 0.064 0.000 0.848 10 V CB 1.414 33.272 31.823 0.057 0.000 0.990 10 V HN 0.640 nan 8.190 nan 0.000 0.430 11 I N 7.468 128.070 120.570 0.054 0.000 2.355 11 I HA 0.399 4.570 4.170 0.001 0.000 0.288 11 I C -2.411 173.730 176.117 0.040 0.000 0.999 11 I CA -1.986 59.341 61.300 0.046 0.000 1.163 11 I CB 2.545 40.574 38.000 0.048 0.000 1.316 11 I HN 0.407 nan 8.210 nan 0.000 0.454 12 P HA 0.327 nan 4.420 nan 0.000 0.287 12 P C -0.886 176.430 177.300 0.027 0.000 1.294 12 P CA -0.109 63.008 63.100 0.029 0.000 0.776 12 P CB 0.898 32.613 31.700 0.024 0.000 0.889 13 I N -0.328 120.258 120.570 0.027 0.000 2.740 13 I HA 0.666 4.837 4.170 0.001 0.000 0.303 13 I C -0.676 175.452 176.117 0.017 0.000 1.044 13 I CA -1.020 60.294 61.300 0.023 0.000 1.064 13 I CB 2.484 40.500 38.000 0.027 0.000 1.249 13 I HN 0.024 nan 8.210 nan 0.000 0.433 14 S N 2.357 118.065 115.700 0.013 0.000 2.659 14 S HA 0.492 4.963 4.470 0.001 0.000 0.312 14 S C -0.512 174.089 174.600 0.002 0.000 1.114 14 S CA -0.520 57.684 58.200 0.007 0.000 1.063 14 S CB 1.658 64.862 63.200 0.007 0.000 0.996 14 S HN 0.714 nan 8.310 nan 0.000 0.478 15 T N 5.889 120.439 114.554 -0.007 0.000 2.756 15 T HA 0.455 4.805 4.350 0.001 0.000 0.290 15 T C -2.492 172.188 174.700 -0.033 0.000 0.985 15 T CA -1.488 60.600 62.100 -0.018 0.000 0.955 15 T CB 1.109 69.959 68.868 -0.030 0.000 0.930 15 T HN 0.318 nan 8.240 nan 0.000 0.451 16 P HA 0.218 nan 4.420 nan 0.000 0.275 16 P C -0.467 176.799 177.300 -0.058 0.000 1.228 16 P CA -0.608 62.473 63.100 -0.031 0.000 0.786 16 P CB 0.645 32.336 31.700 -0.015 0.000 0.927 17 M N 2.227 121.795 119.600 -0.052 0.000 2.235 17 M HA 0.219 4.700 4.480 0.001 0.000 0.351 17 M C 0.779 177.050 176.300 -0.049 0.000 1.178 17 M CA 0.278 55.538 55.300 -0.066 0.000 1.143 17 M CB -0.220 32.350 32.600 -0.050 0.000 1.530 17 M HN 0.542 nan 8.290 nan 0.000 0.461 31 I N 2.159 122.716 120.570 -0.022 0.000 2.312 31 I HA 0.291 4.462 4.170 0.001 0.000 0.290 31 I C -0.660 175.451 176.117 -0.009 0.000 1.008 31 I CA -0.440 60.848 61.300 -0.021 0.000 1.226 31 I CB 1.267 39.248 38.000 -0.031 0.000 1.371 31 I HN 0.568 nan 8.210 nan 0.000 0.468 32 D N 6.010 126.408 120.400 -0.004 0.000 2.317 32 D HA 0.578 5.219 4.640 0.001 0.000 0.234 32 D C 0.475 176.779 176.300 0.008 0.000 1.112 32 D CA 0.112 54.115 54.000 0.004 0.000 0.840 32 D CB 2.312 43.117 40.800 0.007 0.000 1.078 32 D HN 0.768 nan 8.370 nan 0.000 0.486 33 G N 0.152 108.961 108.800 0.015 0.000 3.135 33 G HA2 0.652 4.613 3.960 0.001 0.000 0.278 33 G HA3 0.652 4.613 3.960 0.001 0.000 0.278 33 G C -1.271 173.649 174.900 0.032 0.000 1.302 33 G CA -0.435 44.680 45.100 0.024 0.000 0.880 33 G HN 0.326 nan 8.290 nan 0.000 0.574 34 V N 0.023 119.963 119.914 0.044 0.000 2.888 34 V HA 0.529 4.649 4.120 0.001 0.000 0.309 34 V C -0.755 175.377 176.094 0.063 0.000 1.114 34 V CA -0.568 61.761 62.300 0.049 0.000 0.940 34 V CB 2.010 33.862 31.823 0.049 0.000 1.021 34 V HN 0.595 nan 8.190 nan 0.000 0.426 35 L N 4.266 125.525 121.223 0.060 0.000 2.334 35 L HA 0.679 5.019 4.340 0.001 0.000 0.273 35 L C -1.018 175.893 176.870 0.068 0.000 1.013 35 L CA -0.798 54.081 54.840 0.066 0.000 0.816 35 L CB 1.889 43.981 42.059 0.056 0.000 1.278 35 L HN 0.463 nan 8.230 nan 0.000 0.431 36 L N 2.835 124.101 121.223 0.072 0.000 2.386 36 L HA 0.509 4.850 4.340 0.001 0.000 0.271 36 L C -1.127 175.767 176.870 0.040 0.000 0.993 36 L CA -0.221 54.659 54.840 0.067 0.000 0.819 36 L CB 1.638 43.743 42.059 0.077 0.000 1.294 36 L HN 0.439 nan 8.230 nan 0.000 0.414 37 K N 6.211 126.631 120.400 0.033 0.000 2.463 37 K HA 0.556 4.876 4.320 0.001 0.000 0.255 37 K C -1.529 175.053 176.600 -0.030 0.000 0.942 37 K CA -0.532 55.720 56.287 -0.059 0.000 0.814 37 K CB 1.915 34.353 32.500 -0.102 0.000 1.122 37 K HN 0.555 nan 8.250 nan 0.000 0.425 38 L N 4.589 125.761 121.223 -0.085 0.000 2.301 38 L HA 0.345 4.685 4.340 0.001 0.000 0.278 38 L C -0.582 176.252 176.870 -0.060 0.000 1.022 38 L CA -0.886 53.953 54.840 -0.002 0.000 0.854 38 L CB 0.391 42.449 42.059 -0.002 0.000 1.226 38 L HN 0.533 nan 8.230 nan 0.000 0.429 39 H N 0.560 119.634 119.070 0.007 0.000 2.582 39 H HA 0.377 4.933 4.556 0.001 0.000 0.345 39 H C 0.362 175.688 175.328 -0.002 0.000 1.104 39 H CA -0.234 55.816 56.048 0.003 0.000 1.390 39 H CB 1.263 31.028 29.762 0.005 0.000 1.461 39 H HN 0.576 nan 8.280 nan 0.000 0.551 40 S N 0.504 116.263 115.700 0.098 0.000 2.718 40 S HA 0.140 4.611 4.470 0.001 0.000 0.300 40 S C 0.506 175.138 174.600 0.054 0.000 1.117 40 S CA -0.735 57.496 58.200 0.052 0.000 1.002 40 S CB 1.304 64.512 63.200 0.014 0.000 1.092 40 S HN 0.735 nan 8.310 nan 0.000 0.542 41 D N -0.890 119.530 120.400 0.034 0.000 2.349 41 D HA 0.020 4.660 4.640 0.001 0.000 0.224 41 D C 0.463 176.778 176.300 0.024 0.000 1.029 41 D CA 0.324 54.340 54.000 0.028 0.000 0.879 41 D CB -0.314 40.498 40.800 0.019 0.000 0.906 41 D HN 0.763 nan 8.370 nan 0.000 0.528 42 E N -0.620 119.594 120.200 0.024 0.000 2.651 42 E HA 0.369 4.720 4.350 0.001 0.000 0.208 42 E C 0.881 177.494 176.600 0.022 0.000 0.997 42 E CA 0.022 56.435 56.400 0.021 0.000 1.020 42 E CB 0.684 30.395 29.700 0.018 0.000 1.052 42 E HN 0.319 nan 8.360 nan 0.000 0.465 43 G N 1.086 109.905 108.800 0.031 0.000 2.336 43 G HA2 -0.294 3.666 3.960 0.001 0.000 0.233 43 G HA3 -0.294 3.666 3.960 0.001 0.000 0.233 43 G C 0.395 175.310 174.900 0.026 0.000 1.053 43 G CA -0.168 44.952 45.100 0.033 0.000 0.625 43 G HN 0.216 nan 8.290 nan 0.000 0.511 44 L N 1.138 122.366 121.223 0.008 0.000 2.461 44 L HA 0.524 4.865 4.340 0.001 0.000 0.272 44 L C 0.325 177.173 176.870 -0.037 0.000 1.197 44 L CA -0.320 54.510 54.840 -0.017 0.000 0.836 44 L CB 1.201 43.241 42.059 -0.031 0.000 1.105 44 L HN 0.053 nan 8.230 nan 0.000 0.477 45 V N 1.156 121.023 119.914 -0.079 0.000 2.577 45 V HA 0.454 4.575 4.120 0.001 0.000 0.303 45 V C 0.370 176.383 176.094 -0.134 0.000 1.042 45 V CA -0.657 61.543 62.300 -0.166 0.000 0.872 45 V CB 1.692 33.346 31.823 -0.281 0.000 0.998 45 V HN 0.879 nan 8.190 nan 0.000 0.423 46 G N 4.990 113.716 108.800 -0.123 0.000 2.325 46 G HA2 0.689 4.649 3.960 0.001 0.000 0.298 46 G HA3 0.689 4.649 3.960 0.001 0.000 0.298 46 G C -0.460 174.401 174.900 -0.064 0.000 1.134 46 G CA -0.375 44.679 45.100 -0.077 0.000 0.876 46 G HN 0.877 nan 8.290 nan 0.000 0.452 47 I N -0.070 120.482 120.570 -0.030 0.000 2.797 47 I HA 0.964 5.134 4.170 0.001 0.000 0.307 47 I C -0.165 175.984 176.117 0.053 0.000 1.033 47 I CA -1.336 59.963 61.300 -0.002 0.000 1.071 47 I CB 2.561 40.555 38.000 -0.010 0.000 1.255 47 I HN 0.658 nan 8.210 nan 0.000 0.445 48 A N 2.640 125.509 122.820 0.082 0.000 2.612 48 A HA 0.599 4.920 4.320 0.001 0.000 0.293 48 A C -2.083 175.584 177.584 0.139 0.000 1.075 48 A CA -0.472 51.655 52.037 0.149 0.000 0.680 48 A CB 1.796 20.950 19.000 0.257 0.000 1.279 48 A HN 0.771 nan 8.150 nan 0.000 0.411 49 D N 0.807 121.305 120.400 0.163 0.000 2.549 49 D HA 0.593 5.233 4.640 0.001 0.000 0.251 49 D C 0.872 177.287 176.300 0.192 0.000 1.153 49 D CA 0.286 54.365 54.000 0.132 0.000 0.861 49 D CB 1.885 42.734 40.800 0.083 0.000 1.207 49 D HN 0.639 nan 8.370 nan 0.000 0.543 50 A N 2.868 125.787 122.820 0.165 0.000 2.019 50 A HA 0.378 4.699 4.320 0.001 0.000 0.219 50 A C 1.368 179.035 177.584 0.139 0.000 1.164 50 A CA 1.459 53.597 52.037 0.168 0.000 0.644 50 A CB -0.844 18.215 19.000 0.099 0.000 0.805 50 A HN 1.094 nan 8.150 nan 0.000 0.449 51 G N -0.863 107.994 108.800 0.094 0.000 2.660 51 G HA2 -0.080 3.881 3.960 0.001 0.000 0.215 51 G HA3 -0.080 3.881 3.960 0.001 0.000 0.215 51 G C -0.480 174.438 174.900 0.030 0.000 1.345 51 G CA -0.030 45.105 45.100 0.058 0.000 0.877 51 G HN 0.683 nan 8.290 nan 0.000 0.549 52 D N 0.166 120.567 120.400 0.001 0.000 2.378 52 D HA 0.485 5.125 4.640 0.001 0.000 0.238 52 D C 1.134 177.421 176.300 -0.023 0.000 1.180 52 D CA 1.126 55.114 54.000 -0.020 0.000 0.895 52 D CB 0.528 41.298 40.800 -0.050 0.000 1.192 52 D HN 0.982 nan 8.370 nan 0.000 0.438 53 T N -0.624 113.914 114.554 -0.028 0.000 2.797 53 T HA 0.532 4.883 4.350 0.001 0.000 0.279 53 T C -0.366 174.293 174.700 -0.067 0.000 0.991 53 T CA -0.990 61.091 62.100 -0.032 0.000 0.979 53 T CB 1.276 70.137 68.868 -0.011 0.000 0.943 53 T HN 0.156 nan 8.240 nan 0.000 0.444 54 S N 1.705 117.336 115.700 -0.116 0.000 2.596 54 S HA 0.424 4.894 4.470 0.001 0.000 0.318 54 S C 1.415 175.895 174.600 -0.201 0.000 1.097 54 S CA -0.211 57.848 58.200 -0.235 0.000 1.080 54 S CB 1.079 63.982 63.200 -0.496 0.000 0.991 54 S HN 0.935 nan 8.310 nan 0.000 0.471 55 S N 5.552 121.202 115.700 -0.082 0.000 2.368 55 S HA -0.101 4.369 4.470 0.001 0.000 0.225 55 S C 1.842 176.471 174.600 0.048 0.000 1.030 55 S CA 1.046 59.256 58.200 0.016 0.000 0.999 55 S CB -0.662 62.599 63.200 0.101 0.000 0.844 55 S HN 0.967 nan 8.310 nan 0.000 0.459 56 W N 0.031 121.375 121.300 0.073 0.000 2.494 56 W HA 0.108 4.769 4.660 0.001 0.000 0.286 56 W C 2.083 178.659 176.519 0.096 0.000 1.218 56 W CA 0.420 57.810 57.345 0.076 0.000 1.313 56 W CB -1.087 28.416 29.460 0.073 0.000 1.105 56 W HN 0.338 nan 8.180 nan 0.000 0.561 57 Y N 2.327 122.060 120.300 -0.946 0.000 2.220 57 Y HA -0.073 4.478 4.550 0.001 0.000 0.291 57 Y C 2.938 178.658 175.900 -0.300 0.000 1.129 57 Y CA 2.974 60.621 58.100 -0.754 0.000 1.161 57 Y CB -0.371 37.349 38.460 -1.233 0.000 0.997 57 Y HN -0.138 nan 8.280 nan 0.000 0.522 58 R N -0.984 119.374 120.500 -0.236 0.000 2.276 58 R HA 0.275 4.616 4.340 0.001 0.000 0.195 58 R C 1.267 177.510 176.300 -0.096 0.000 0.908 58 R CA 1.128 57.127 56.100 -0.169 0.000 1.083 58 R CB 0.438 30.713 30.300 -0.043 0.000 1.182 58 R HN 0.324 nan 8.270 nan 0.000 0.608 59 G N 0.320 109.079 108.800 -0.068 0.000 2.157 59 G HA2 -0.240 3.721 3.960 0.001 0.000 0.239 59 G HA3 -0.240 3.721 3.960 0.001 0.000 0.239 59 G C -0.497 174.392 174.900 -0.019 0.000 0.982 59 G CA 0.337 45.422 45.100 -0.025 0.000 0.650 59 G HN 0.400 nan 8.290 nan 0.000 0.527 60 E N 0.414 120.600 120.200 -0.023 0.000 2.221 60 E HA 0.665 5.015 4.350 0.001 0.000 0.268 60 E C 0.423 177.019 176.600 -0.008 0.000 0.933 60 E CA -0.104 56.288 56.400 -0.013 0.000 0.809 60 E CB 1.707 31.402 29.700 -0.008 0.000 1.190 60 E HN 0.380 nan 8.360 nan 0.000 0.406 61 T N -1.715 112.838 114.554 -0.001 0.000 2.858 61 T HA 0.191 4.542 4.350 0.001 0.000 0.285 61 T C 0.884 175.589 174.700 0.010 0.000 1.052 61 T CA -0.701 61.402 62.100 0.005 0.000 1.009 61 T CB 1.326 70.198 68.868 0.008 0.000 1.241 61 T HN 0.378 nan 8.240 nan 0.000 0.542 62 Q N 0.047 119.855 119.800 0.013 0.000 2.061 62 Q HA -0.142 4.198 4.340 0.001 0.000 0.204 62 Q C 1.541 177.552 176.000 0.017 0.000 0.984 62 Q CA 2.062 57.875 55.803 0.018 0.000 0.846 62 Q CB -0.260 28.489 28.738 0.018 0.000 0.902 62 Q HN 0.657 nan 8.270 nan 0.000 0.421 63 D N -0.074 120.335 120.400 0.014 0.000 2.144 63 D HA -0.131 4.510 4.640 0.001 0.000 0.199 63 D C 2.168 178.474 176.300 0.010 0.000 0.984 63 D CA 1.600 55.608 54.000 0.013 0.000 0.834 63 D CB -0.308 40.499 40.800 0.012 0.000 0.955 63 D HN 0.241 nan 8.370 nan 0.000 0.465 64 S N 0.279 115.982 115.700 0.004 0.000 2.368 64 S HA -0.113 4.357 4.470 0.001 0.000 0.224 64 S C 2.233 176.826 174.600 -0.012 0.000 1.029 64 S CA 0.612 58.807 58.200 -0.008 0.000 0.988 64 S CB -0.660 62.532 63.200 -0.014 0.000 0.838 64 S HN 0.248 nan 8.310 nan 0.000 0.462 65 I N 1.839 122.411 120.570 0.003 0.000 2.179 65 I HA -0.152 4.018 4.170 0.001 0.000 0.242 65 I C 2.824 178.953 176.117 0.021 0.000 1.088 65 I CA 1.572 62.881 61.300 0.015 0.000 1.357 65 I CB -1.052 36.967 38.000 0.031 0.000 1.051 65 I HN 0.334 nan 8.210 nan 0.000 0.409 66 T N -0.367 114.202 114.554 0.024 0.000 2.720 66 T HA -0.210 4.140 4.350 0.001 0.000 0.268 66 T C 2.109 176.823 174.700 0.023 0.000 1.037 66 T CA 1.972 64.089 62.100 0.029 0.000 1.144 66 T CB -0.232 68.651 68.868 0.026 0.000 0.864 66 T HN 0.313 nan 8.240 nan 0.000 0.444 67 S N 0.271 115.983 115.700 0.020 0.000 2.371 67 S HA -0.043 4.428 4.470 0.001 0.000 0.224 67 S C 2.055 176.694 174.600 0.065 0.000 1.029 67 S CA 1.004 59.228 58.200 0.040 0.000 0.978 67 S CB -0.310 62.924 63.200 0.057 0.000 0.833 67 S HN 0.281 nan 8.310 nan 0.000 0.466 68 M N 1.454 121.039 119.600 -0.025 0.000 2.159 68 M HA 0.118 4.599 4.480 0.001 0.000 0.263 68 M C 1.593 177.686 176.300 -0.344 0.000 1.063 68 M CA 1.425 56.598 55.300 -0.212 0.000 1.110 68 M CB -0.545 31.814 32.600 -0.401 0.000 1.374 68 M HN 0.404 nan 8.290 nan 0.000 0.411 69 I N -1.503 119.006 120.570 -0.102 0.000 2.193 69 I HA -0.321 3.849 4.170 0.001 0.000 0.240 69 I C 2.155 178.319 176.117 0.079 0.000 1.084 69 I CA 1.010 62.362 61.300 0.087 0.000 1.365 69 I CB -0.473 37.620 38.000 0.156 0.000 1.064 69 I HN 0.298 nan 8.210 nan 0.000 0.410 70 C N 0.393 119.716 119.300 0.038 0.000 2.466 70 C HA -0.102 4.359 4.460 0.001 0.000 0.278 70 C C 2.244 177.205 174.990 -0.048 0.000 1.288 70 C CA 0.575 59.601 59.018 0.013 0.000 1.722 70 C CB -0.853 26.891 27.740 0.007 0.000 2.017 70 C HN 0.511 nan 8.230 nan 0.000 0.488 71 D N -0.811 119.534 120.400 -0.092 0.000 2.333 71 D HA 0.082 4.723 4.640 0.001 0.000 0.208 71 D C 1.351 177.270 176.300 -0.636 0.000 0.984 71 D CA 1.029 54.833 54.000 -0.326 0.000 0.873 71 D CB 0.116 40.699 40.800 -0.362 0.000 0.935 71 D HN 0.453 nan 8.370 nan 0.000 0.521 72 F N -1.064 118.808 119.950 -0.130 0.000 2.423 72 F HA 0.101 4.629 4.527 0.001 0.000 0.269 72 F C 1.764 177.576 175.800 0.020 0.000 0.880 72 F CA -0.358 57.568 58.000 -0.124 0.000 1.134 72 F CB -0.385 38.443 39.000 -0.287 0.000 1.143 72 F HN -0.260 nan 8.300 nan 0.000 0.802 73 F N 1.338 121.409 119.950 0.202 0.000 2.126 73 F HA -0.102 4.425 4.527 0.001 0.000 0.299 73 F C 2.501 178.336 175.800 0.058 0.000 1.096 73 F CA 0.845 58.907 58.000 0.103 0.000 1.255 73 F CB -1.677 37.366 39.000 0.072 0.000 0.997 73 F HN 0.004 nan 8.300 nan 0.000 0.479 74 A N 1.126 124.081 122.820 0.226 0.000 1.841 74 A HA -0.140 4.180 4.320 0.001 0.000 0.216 74 A C 0.106 177.737 177.584 0.077 0.000 1.199 74 A CA 2.001 54.111 52.037 0.123 0.000 0.621 74 A CB -2.187 16.858 19.000 0.077 0.000 0.835 74 A HN 0.277 nan 8.150 nan 0.000 0.445 75 P HA -0.100 nan 4.420 nan 0.000 0.220 75 P C 0.759 178.083 177.300 0.039 0.000 1.152 75 P CA 1.118 64.228 63.100 0.015 0.000 0.812 75 P CB 0.001 31.679 31.700 -0.036 0.000 0.792 76 K N -0.630 119.817 120.400 0.079 0.000 2.262 76 K HA 0.126 4.447 4.320 0.001 0.000 0.200 76 K C 1.847 178.508 176.600 0.102 0.000 1.049 76 K CA 0.636 56.982 56.287 0.098 0.000 0.979 76 K CB -0.056 32.531 32.500 0.146 0.000 0.773 76 K HN 0.150 nan 8.250 nan 0.000 0.474 77 V N -0.136 119.849 119.914 0.119 0.000 3.159 77 V HA 0.068 4.189 4.120 0.001 0.000 0.234 77 V C 1.924 178.044 176.094 0.043 0.000 1.313 77 V CA 0.187 62.531 62.300 0.074 0.000 1.271 77 V CB 0.109 31.969 31.823 0.062 0.000 1.053 77 V HN -0.028 nan 8.190 nan 0.000 0.476 78 L N -0.055 121.205 121.223 0.062 0.000 2.071 78 L HA 0.179 4.519 4.340 0.001 0.000 0.201 78 L C 0.826 177.717 176.870 0.034 0.000 1.076 78 L CA 0.722 55.585 54.840 0.040 0.000 0.755 78 L CB -0.239 41.854 42.059 0.058 0.000 0.915 78 L HN 0.165 nan 8.230 nan 0.000 0.445 79 L N 1.342 122.590 121.223 0.041 0.000 2.601 79 L HA 0.009 4.350 4.340 0.001 0.000 0.277 79 L C 1.257 178.140 176.870 0.022 0.000 1.219 79 L CA 0.801 55.659 54.840 0.030 0.000 0.915 79 L CB -0.151 41.924 42.059 0.026 0.000 1.160 79 L HN 0.534 nan 8.230 nan 0.000 0.494 80 G N 2.181 110.992 108.800 0.018 0.000 2.179 80 G HA2 -0.278 3.683 3.960 0.001 0.000 0.260 80 G HA3 -0.278 3.683 3.960 0.001 0.000 0.260 80 G C 0.098 175.004 174.900 0.011 0.000 0.977 80 G CA 0.294 45.402 45.100 0.013 0.000 0.641 80 G HN 0.616 nan 8.290 nan 0.000 0.533 81 E N 0.854 121.059 120.200 0.009 0.000 2.248 81 E HA 0.516 4.867 4.350 0.001 0.000 0.272 81 E C -0.357 176.241 176.600 -0.003 0.000 1.008 81 E CA -0.855 55.547 56.400 0.003 0.000 0.856 81 E CB 0.827 30.527 29.700 -0.000 0.000 1.120 81 E HN 0.075 nan 8.360 nan 0.000 0.397 82 D N 4.121 124.518 120.400 -0.006 0.000 2.339 82 D HA 0.078 4.719 4.640 0.001 0.000 0.256 82 D C -1.639 174.643 176.300 -0.031 0.000 1.214 82 D CA -1.946 52.047 54.000 -0.011 0.000 0.877 82 D CB 1.235 42.036 40.800 0.001 0.000 1.111 82 D HN 0.273 nan 8.370 nan 0.000 0.478 83 P HA -0.145 nan 4.420 nan 0.000 0.223 83 P C 1.055 178.282 177.300 -0.121 0.000 1.144 83 P CA 0.998 64.048 63.100 -0.083 0.000 0.783 83 P CB -0.064 31.582 31.700 -0.091 0.000 0.771 84 T N -2.977 111.518 114.554 -0.099 0.000 3.055 84 T HA -0.004 4.346 4.350 0.001 0.000 0.265 84 T C 1.139 175.803 174.700 -0.059 0.000 1.111 84 T CA 0.407 62.448 62.100 -0.098 0.000 1.118 84 T CB -0.662 68.213 68.868 0.013 0.000 0.909 84 T HN 0.144 nan 8.240 nan 0.000 0.501 85 K N 1.449 121.821 120.400 -0.047 0.000 2.737 85 K HA 0.345 4.666 4.320 0.001 0.000 0.251 85 K C 0.716 177.282 176.600 -0.058 0.000 1.280 85 K CA -0.234 56.033 56.287 -0.034 0.000 1.219 85 K CB -0.203 32.285 32.500 -0.019 0.000 1.587 85 K HN 0.416 nan 8.250 nan 0.000 0.279 86 I N 0.670 121.189 120.570 -0.084 0.000 2.202 86 I HA -0.263 3.908 4.170 0.001 0.000 0.242 86 I C 2.203 178.290 176.117 -0.050 0.000 1.091 86 I CA 1.136 62.373 61.300 -0.104 0.000 1.368 86 I CB -0.040 37.842 38.000 -0.198 0.000 1.058 86 I HN 0.451 nan 8.210 nan 0.000 0.410 87 E N 1.108 121.294 120.200 -0.023 0.000 2.058 87 E HA -0.292 4.059 4.350 0.001 0.000 0.194 87 E C 2.094 178.685 176.600 -0.014 0.000 0.997 87 E CA 1.393 57.791 56.400 -0.003 0.000 0.801 87 E CB -0.217 29.488 29.700 0.010 0.000 0.746 87 E HN 0.443 nan 8.360 nan 0.000 0.450 88 K N 0.803 121.192 120.400 -0.018 0.000 1.985 88 K HA -0.139 4.181 4.320 0.001 0.000 0.210 88 K C 2.316 178.895 176.600 -0.034 0.000 1.047 88 K CA 1.258 57.533 56.287 -0.019 0.000 0.932 88 K CB -0.206 32.286 32.500 -0.014 0.000 0.716 88 K HN 0.011 nan 8.250 nan 0.000 0.439 89 I N 0.874 121.413 120.570 -0.052 0.000 2.163 89 I HA -0.280 3.891 4.170 0.001 0.000 0.243 89 I C 2.304 178.353 176.117 -0.115 0.000 1.085 89 I CA 0.974 62.225 61.300 -0.081 0.000 1.347 89 I CB -0.235 37.709 38.000 -0.094 0.000 1.044 89 I HN 0.030 nan 8.210 nan 0.000 0.408 90 V N 1.153 121.010 119.914 -0.095 0.000 2.332 90 V HA -0.258 3.863 4.120 0.001 0.000 0.248 90 V C 2.585 178.633 176.094 -0.076 0.000 1.055 90 V CA 2.282 64.523 62.300 -0.098 0.000 1.038 90 V CB -1.442 30.355 31.823 -0.043 0.000 0.651 90 V HN 0.601 nan 8.190 nan 0.000 0.450 91 G N -0.257 108.517 108.800 -0.043 0.000 2.421 91 G HA2 -0.236 3.724 3.960 0.001 0.000 0.216 91 G HA3 -0.236 3.724 3.960 0.001 0.000 0.216 91 G C 1.722 176.608 174.900 -0.023 0.000 1.171 91 G CA 0.714 45.801 45.100 -0.022 0.000 0.775 91 G HN 0.446 nan 8.290 nan 0.000 0.543 92 R N -0.434 120.048 120.500 -0.031 0.000 2.096 92 R HA 0.085 4.426 4.340 0.001 0.000 0.235 92 R C 2.736 179.028 176.300 -0.012 0.000 1.127 92 R CA 1.199 57.292 56.100 -0.010 0.000 0.968 92 R CB -0.366 29.931 30.300 -0.005 0.000 0.861 92 R HN 0.351 nan 8.270 nan 0.000 0.440 93 M N 0.557 120.089 119.600 -0.113 0.000 2.159 93 M HA -0.169 4.311 4.480 0.001 0.000 0.263 93 M C 1.222 177.516 176.300 -0.010 0.000 1.063 93 M CA 1.457 56.635 55.300 -0.203 0.000 1.110 93 M CB -0.245 31.977 32.600 -0.630 0.000 1.374 93 M HN 0.038 nan 8.290 nan 0.000 0.411 94 D N 0.394 120.781 120.400 -0.023 0.000 2.183 94 D HA -0.072 4.569 4.640 0.001 0.000 0.203 94 D C 1.920 178.243 176.300 0.038 0.000 0.969 94 D CA 1.025 55.037 54.000 0.020 0.000 0.842 94 D CB -0.012 40.795 40.800 0.011 0.000 0.957 94 D HN 0.246 nan 8.370 nan 0.000 0.484 95 I N 0.539 121.130 120.570 0.034 0.000 2.286 95 I HA -0.155 4.016 4.170 0.001 0.000 0.245 95 I C 2.378 178.527 176.117 0.053 0.000 1.104 95 I CA 0.561 61.883 61.300 0.037 0.000 1.397 95 I CB -0.918 37.101 38.000 0.032 0.000 1.072 95 I HN 0.045 nan 8.210 nan 0.000 0.417 96 L N 0.025 121.301 121.223 0.089 0.000 2.141 96 L HA -0.007 4.334 4.340 0.001 0.000 0.209 96 L C 0.426 177.343 176.870 0.077 0.000 1.094 96 L CA 1.482 56.392 54.840 0.116 0.000 0.763 96 L CB -0.201 41.986 42.059 0.213 0.000 0.908 96 L HN 0.111 nan 8.230 nan 0.000 0.437 97 T N 0.512 115.130 114.554 0.108 0.000 2.921 97 T HA 0.319 4.670 4.350 0.001 0.000 0.297 97 T C -0.677 174.045 174.700 0.037 0.000 1.013 97 T CA -0.587 61.538 62.100 0.041 0.000 0.990 97 T CB 2.149 71.080 68.868 0.105 0.000 1.023 97 T HN 0.094 nan 8.240 nan 0.000 0.447 98 R N 2.607 123.099 120.500 -0.013 0.000 2.441 98 R HA 0.288 4.628 4.340 0.001 0.000 0.284 98 R C -0.073 176.229 176.300 0.004 0.000 1.070 98 R CA 0.117 56.216 56.100 -0.000 0.000 1.047 98 R CB 0.262 30.551 30.300 -0.018 0.000 1.016 98 R HN 0.801 nan 8.270 nan 0.000 0.477 99 D N 1.931 122.345 120.400 0.024 0.000 3.321 99 D HA -0.344 4.296 4.640 0.001 0.000 0.178 99 D C -0.265 176.053 176.300 0.030 0.000 1.208 99 D CA 1.557 55.570 54.000 0.022 0.000 1.074 99 D CB -0.485 40.317 40.800 0.004 0.000 0.560 99 D HN 0.941 nan 8.370 nan 0.000 0.618 100 N N 0.569 119.277 118.700 0.014 0.000 2.725 100 N HA -0.213 4.527 4.740 0.001 0.000 0.249 100 N C 0.469 176.010 175.510 0.052 0.000 1.103 100 N CA 0.944 54.011 53.050 0.029 0.000 0.707 100 N CB -1.390 37.119 38.487 0.037 0.000 1.043 100 N HN 0.353 nan 8.380 nan 0.000 0.553 101 N N 1.058 119.772 118.700 0.022 0.000 2.094 101 N HA -0.212 4.529 4.740 0.001 0.000 0.191 101 N C 1.818 177.318 175.510 -0.017 0.000 1.023 101 N CA 1.747 54.800 53.050 0.005 0.000 0.857 101 N CB -0.164 38.321 38.487 -0.003 0.000 1.013 101 N HN 0.576 nan 8.380 nan 0.000 0.426 102 Q N 0.033 119.829 119.800 -0.006 0.000 2.079 102 Q HA -0.019 4.321 4.340 0.001 0.000 0.200 102 Q C 1.931 177.919 176.000 -0.021 0.000 0.974 102 Q CA 1.514 57.311 55.803 -0.011 0.000 0.840 102 Q CB -0.126 28.621 28.738 0.016 0.000 0.898 102 Q HN 0.421 nan 8.270 nan 0.000 0.430 103 A N 0.986 123.827 122.820 0.034 0.000 1.902 103 A HA -0.206 4.115 4.320 0.001 0.000 0.217 103 A C 1.949 179.594 177.584 0.103 0.000 1.181 103 A CA 1.696 53.790 52.037 0.094 0.000 0.623 103 A CB -0.376 18.713 19.000 0.147 0.000 0.818 103 A HN 0.345 nan 8.150 nan 0.000 0.443 104 K N -0.246 120.203 120.400 0.082 0.000 2.057 104 K HA -0.049 4.272 4.320 0.001 0.000 0.207 104 K C 2.324 178.788 176.600 -0.227 0.000 1.049 104 K CA 1.124 57.364 56.287 -0.078 0.000 0.931 104 K CB -0.355 32.097 32.500 -0.080 0.000 0.714 104 K HN 0.433 nan 8.250 nan 0.000 0.440 105 A N 1.095 123.738 122.820 -0.296 0.000 1.908 105 A HA -0.190 4.131 4.320 0.001 0.000 0.218 105 A C 2.244 179.164 177.584 -1.106 0.000 1.181 105 A CA 2.199 53.830 52.037 -0.677 0.000 0.627 105 A CB -1.117 17.535 19.000 -0.579 0.000 0.818 105 A HN 0.280 nan 8.150 nan 0.000 0.445 106 T N -0.234 113.974 114.554 -0.576 0.000 2.684 106 T HA -0.154 4.196 4.350 0.001 0.000 0.267 106 T C 1.876 176.478 174.700 -0.164 0.000 1.036 106 T CA 1.701 63.632 62.100 -0.281 0.000 1.148 106 T CB -0.563 68.292 68.868 -0.022 0.000 0.863 106 T HN 0.163 nan 8.240 nan 0.000 0.436 107 V N 2.286 122.120 119.914 -0.133 0.000 2.287 107 V HA -0.205 3.916 4.120 0.001 0.000 0.248 107 V C 2.562 178.609 176.094 -0.078 0.000 1.053 107 V CA 1.986 64.242 62.300 -0.074 0.000 1.027 107 V CB -0.622 31.136 31.823 -0.107 0.000 0.646 107 V HN 0.591 nan 8.190 nan 0.000 0.447 108 D N -0.149 120.156 120.400 -0.159 0.000 2.123 108 D HA -0.217 4.424 4.640 0.001 0.000 0.196 108 D C 2.063 178.500 176.300 0.229 0.000 0.992 108 D CA 1.614 55.608 54.000 -0.010 0.000 0.833 108 D CB -0.089 40.659 40.800 -0.087 0.000 0.954 108 D HN 0.379 nan 8.370 nan 0.000 0.455 109 F N 1.653 121.651 119.950 0.079 0.000 2.102 109 F HA -0.030 4.498 4.527 0.001 0.000 0.298 109 F C 2.802 178.635 175.800 0.055 0.000 1.105 109 F CA 0.804 58.836 58.000 0.053 0.000 1.239 109 F CB -1.474 37.539 39.000 0.022 0.000 0.991 109 F HN 0.014 nan 8.300 nan 0.000 0.474 110 A N 0.140 123.094 122.820 0.224 0.000 1.933 110 A HA -0.106 4.215 4.320 0.001 0.000 0.218 110 A C 2.358 179.969 177.584 0.045 0.000 1.175 110 A CA 1.264 53.362 52.037 0.102 0.000 0.628 110 A CB -1.102 17.935 19.000 0.061 0.000 0.814 110 A HN 0.384 nan 8.150 nan 0.000 0.444 111 L N -1.687 119.559 121.223 0.038 0.000 2.017 111 L HA -0.207 4.133 4.340 0.001 0.000 0.208 111 L C 2.575 179.383 176.870 -0.104 0.000 1.073 111 L CA 1.702 56.508 54.840 -0.056 0.000 0.745 111 L CB -0.672 41.330 42.059 -0.095 0.000 0.894 111 L HN 0.466 nan 8.230 nan 0.000 0.432 112 H N -1.168 117.879 119.070 -0.038 0.000 2.387 112 H HA -0.203 4.354 4.556 0.001 0.000 0.299 112 H C 1.903 177.156 175.328 -0.124 0.000 1.090 112 H CA 1.773 57.778 56.048 -0.073 0.000 1.332 112 H CB -0.071 29.677 29.762 -0.024 0.000 1.386 112 H HN 0.322 nan 8.280 nan 0.000 0.516 113 D N -0.212 120.202 120.400 0.023 0.000 2.117 113 D HA -0.132 4.509 4.640 0.001 0.000 0.198 113 D C 2.089 178.330 176.300 -0.098 0.000 0.982 113 D CA 0.535 54.505 54.000 -0.050 0.000 0.828 113 D CB -0.110 40.679 40.800 -0.018 0.000 0.967 113 D HN 0.195 nan 8.370 nan 0.000 0.464 114 L N 0.021 121.182 121.223 -0.103 0.000 2.056 114 L HA -0.059 4.281 4.340 0.001 0.000 0.207 114 L C 2.255 178.992 176.870 -0.221 0.000 1.078 114 L CA 1.353 56.113 54.840 -0.134 0.000 0.749 114 L CB -0.664 41.328 42.059 -0.113 0.000 0.901 114 L HN 0.032 nan 8.230 nan 0.000 0.433 115 V N 0.043 119.777 119.914 -0.300 0.000 2.407 115 V HA -0.186 3.935 4.120 0.001 0.000 0.248 115 V C 2.605 178.339 176.094 -0.601 0.000 1.055 115 V CA 1.667 63.636 62.300 -0.551 0.000 1.049 115 V CB -1.606 29.885 31.823 -0.553 0.000 0.662 115 V HN 0.619 nan 8.190 nan 0.000 0.455 116 G N -0.218 108.386 108.800 -0.327 0.000 2.421 116 G HA2 -0.239 3.721 3.960 0.001 0.000 0.216 116 G HA3 -0.239 3.721 3.960 0.001 0.000 0.216 116 G C 1.665 176.476 174.900 -0.148 0.000 1.171 116 G CA 0.810 45.783 45.100 -0.212 0.000 0.775 116 G HN 0.466 nan 8.290 nan 0.000 0.543 117 K N -0.142 120.175 120.400 -0.139 0.000 2.097 117 K HA -0.070 4.251 4.320 0.001 0.000 0.206 117 K C 2.569 179.132 176.600 -0.061 0.000 1.049 117 K CA 1.115 57.353 56.287 -0.082 0.000 0.933 117 K CB -0.075 32.380 32.500 -0.074 0.000 0.717 117 K HN 0.105 nan 8.250 nan 0.000 0.442 118 R N 0.686 121.111 120.500 -0.126 0.000 2.073 118 R HA -0.095 4.246 4.340 0.001 0.000 0.234 118 R C 1.622 178.007 176.300 0.140 0.000 1.134 118 R CA 1.610 57.674 56.100 -0.060 0.000 0.952 118 R CB -0.411 29.776 30.300 -0.189 0.000 0.850 118 R HN 0.080 nan 8.270 nan 0.000 0.433 119 F N -0.221 119.711 119.950 -0.031 0.000 2.710 119 F HA 0.353 4.880 4.527 0.001 0.000 0.298 119 F C 1.456 177.240 175.800 -0.026 0.000 1.137 119 F CA 0.481 58.465 58.000 -0.026 0.000 1.444 119 F CB -0.633 38.350 39.000 -0.029 0.000 1.111 119 F HN 0.354 nan 8.300 nan 0.000 0.580 120 G N 1.116 109.996 108.800 0.134 0.000 2.225 120 G HA2 -0.079 3.882 3.960 0.001 0.000 0.264 120 G HA3 -0.079 3.882 3.960 0.001 0.000 0.264 120 G C -0.161 174.766 174.900 0.044 0.000 1.060 120 G CA 0.253 45.392 45.100 0.064 0.000 0.833 120 G HN 0.636 nan 8.290 nan 0.000 0.498 121 V N -4.003 115.928 119.914 0.028 0.000 3.007 121 V HA 0.936 5.056 4.120 0.001 0.000 0.311 121 V C -2.624 173.389 176.094 -0.135 0.000 1.120 121 V CA -2.961 59.324 62.300 -0.024 0.000 0.980 121 V CB 2.445 34.286 31.823 0.031 0.000 1.033 121 V HN 0.035 nan 8.190 nan 0.000 0.429 122 P HA 0.283 nan 4.420 nan 0.000 0.272 122 P C 1.029 178.017 177.300 -0.520 0.000 1.223 122 P CA -0.073 62.748 63.100 -0.464 0.000 0.784 122 P CB 1.105 32.281 31.700 -0.873 0.000 0.923 123 V N 1.967 121.487 119.914 -0.657 0.000 2.469 123 V HA -0.280 3.841 4.120 0.001 0.000 0.251 123 V C 1.930 177.936 176.094 -0.148 0.000 1.064 123 V CA 2.065 64.089 62.300 -0.460 0.000 1.066 123 V CB -1.697 29.727 31.823 -0.665 0.000 0.667 123 V HN 0.625 nan 8.190 nan 0.000 0.461 124 Y N 0.264 120.667 120.300 0.172 0.000 2.315 124 Y HA -0.169 4.382 4.550 0.001 0.000 0.288 124 Y C 2.293 178.267 175.900 0.124 0.000 1.154 124 Y CA 0.897 59.123 58.100 0.209 0.000 1.229 124 Y CB -1.125 37.485 38.460 0.251 0.000 0.980 124 Y HN 0.198 nan 8.280 nan 0.000 0.540 125 Q N 0.911 120.805 119.800 0.158 0.000 2.167 125 Q HA -0.019 4.322 4.340 0.001 0.000 0.202 125 Q C 2.243 178.330 176.000 0.145 0.000 0.970 125 Q CA 1.304 57.216 55.803 0.181 0.000 0.855 125 Q CB -0.327 28.454 28.738 0.073 0.000 0.911 125 Q HN 0.632 nan 8.270 nan 0.000 0.438 126 L N -0.182 121.111 121.223 0.115 0.000 2.395 126 L HA -0.013 4.328 4.340 0.001 0.000 0.218 126 L C 1.622 178.589 176.870 0.163 0.000 1.130 126 L CA 0.350 55.276 54.840 0.144 0.000 0.826 126 L CB -0.093 42.052 42.059 0.143 0.000 0.941 126 L HN 0.087 nan 8.230 nan 0.000 0.451 127 L N -0.294 121.028 121.223 0.166 0.000 2.685 127 L HA 0.311 4.651 4.340 0.001 0.000 0.233 127 L C 1.102 178.061 176.870 0.148 0.000 1.173 127 L CA 0.345 55.279 54.840 0.157 0.000 0.961 127 L CB 0.044 42.191 42.059 0.147 0.000 1.217 127 L HN 0.387 nan 8.230 nan 0.000 0.478 128 G N -0.760 108.127 108.800 0.145 0.000 2.168 128 G HA2 0.000 3.961 3.960 0.001 0.000 0.197 128 G HA3 0.000 3.961 3.960 0.001 0.000 0.197 128 G C 0.510 175.483 174.900 0.122 0.000 0.997 128 G CA -0.255 44.918 45.100 0.122 0.000 0.658 128 G HN 0.788 nan 8.290 nan 0.000 0.513 129 G N -0.763 108.140 108.800 0.172 0.000 2.699 129 G HA2 0.146 4.107 3.960 0.001 0.000 0.686 129 G HA3 0.146 4.107 3.960 0.001 0.000 0.686 129 G C -0.272 174.689 174.900 0.101 0.000 1.301 129 G CA 0.234 45.436 45.100 0.171 0.000 0.816 129 G HN 1.028 nan 8.290 nan 0.000 0.595 130 K N 0.832 121.224 120.400 -0.014 0.000 2.111 130 K HA 0.373 4.693 4.320 0.001 0.000 0.249 130 K C 1.821 178.332 176.600 -0.148 0.000 1.157 130 K CA 0.484 56.615 56.287 -0.260 0.000 1.048 130 K CB -0.461 31.726 32.500 -0.523 0.000 1.498 130 K HN 0.521 nan 8.250 nan 0.000 0.344 131 T N 2.909 117.407 114.554 -0.092 0.000 2.720 131 T HA -0.113 4.237 4.350 0.001 0.000 0.268 131 T C 1.010 175.650 174.700 -0.100 0.000 1.037 131 T CA 1.221 63.279 62.100 -0.070 0.000 1.144 131 T CB -0.234 68.610 68.868 -0.040 0.000 0.864 131 T HN 0.637 nan 8.240 nan 0.000 0.444 132 I N -2.054 118.437 120.570 -0.132 0.000 2.785 132 I HA 0.529 4.699 4.170 0.001 0.000 0.302 132 I C 0.581 176.589 176.117 -0.181 0.000 1.069 132 I CA -1.049 60.165 61.300 -0.143 0.000 1.045 132 I CB 2.115 40.033 38.000 -0.137 0.000 1.236 132 I HN -0.304 nan 8.210 nan 0.000 0.429 133 E N 2.467 122.565 120.200 -0.171 0.000 2.158 133 E HA 0.004 4.355 4.350 0.001 0.000 0.191 133 E C 0.109 176.576 176.600 -0.221 0.000 0.982 133 E CA 0.865 57.164 56.400 -0.168 0.000 0.823 133 E CB 0.199 29.831 29.700 -0.114 0.000 0.766 133 E HN 0.685 nan 8.360 nan 0.000 0.468 134 R N -0.289 120.030 120.500 -0.302 0.000 2.764 134 R HA 0.607 4.948 4.340 0.001 0.000 0.270 134 R C -0.900 175.246 176.300 -0.257 0.000 1.014 134 R CA -0.714 55.094 56.100 -0.486 0.000 0.904 134 R CB 0.891 30.618 30.300 -0.956 0.000 1.236 134 R HN -0.205 nan 8.270 nan 0.000 0.466 135 I N 2.189 122.625 120.570 -0.223 0.000 2.355 135 I HA 0.354 4.525 4.170 0.001 0.000 0.288 135 I C -2.172 173.873 176.117 -0.120 0.000 0.999 135 I CA -2.633 58.592 61.300 -0.125 0.000 1.163 135 I CB 2.160 40.078 38.000 -0.136 0.000 1.316 135 I HN 0.386 nan 8.210 nan 0.000 0.454 136 P HA 0.220 nan 4.420 nan 0.000 0.271 136 P C -0.991 176.073 177.300 -0.393 0.000 1.216 136 P CA 0.059 62.718 63.100 -0.734 0.000 0.771 136 P CB 1.108 32.197 31.700 -1.017 0.000 0.864 137 L N 1.999 123.069 121.223 -0.254 0.000 2.323 137 L HA 0.797 5.138 4.340 0.001 0.000 0.265 137 L C 0.926 177.759 176.870 -0.062 0.000 1.012 137 L CA -0.736 54.088 54.840 -0.027 0.000 0.820 137 L CB 2.298 44.453 42.059 0.160 0.000 1.334 137 L HN 0.431 nan 8.230 nan 0.000 0.427 138 G N 0.694 109.158 108.800 -0.560 0.000 2.685 138 G HA2 0.774 4.735 3.960 0.001 0.000 0.298 138 G HA3 0.774 4.735 3.960 0.001 0.000 0.298 138 G C -1.984 172.501 174.900 -0.693 0.000 1.277 138 G CA -0.440 43.744 45.100 -1.527 0.000 0.986 138 G HN 0.286 nan 8.290 nan 0.000 0.487 139 L N -0.232 120.679 121.223 -0.520 0.000 2.445 139 L HA 0.560 4.900 4.340 0.001 0.000 0.262 139 L C -0.311 176.487 176.870 -0.120 0.000 0.974 139 L CA -0.599 54.063 54.840 -0.296 0.000 0.822 139 L CB 2.434 44.117 42.059 -0.628 0.000 1.339 139 L HN 0.384 nan 8.230 nan 0.000 0.409 140 V N 4.272 124.175 119.914 -0.018 0.000 2.607 140 V HA 0.383 4.504 4.120 0.001 0.000 0.289 140 V C 0.298 176.348 176.094 -0.072 0.000 1.053 140 V CA -0.587 61.677 62.300 -0.061 0.000 0.996 140 V CB 1.215 32.995 31.823 -0.071 0.000 0.995 140 V HN 0.524 nan 8.190 nan 0.000 0.476 141 L N 2.985 124.146 121.223 -0.102 0.000 2.379 141 L HA 0.613 4.954 4.340 0.001 0.000 0.269 141 L C 1.016 177.837 176.870 -0.082 0.000 1.084 141 L CA -0.322 54.463 54.840 -0.092 0.000 0.802 141 L CB 0.883 42.885 42.059 -0.096 0.000 1.175 141 L HN 0.784 nan 8.230 nan 0.000 0.448 142 G N 0.449 109.209 108.800 -0.067 0.000 2.503 142 G HA2 0.475 4.436 3.960 0.001 0.000 0.257 142 G HA3 0.475 4.436 3.960 0.001 0.000 0.257 142 G C -0.038 174.826 174.900 -0.061 0.000 1.214 142 G CA -0.290 44.772 45.100 -0.062 0.000 0.839 142 G HN 0.803 nan 8.290 nan 0.000 0.559 143 A N -0.203 122.582 122.820 -0.058 0.000 2.507 143 A HA 0.679 4.999 4.320 0.001 0.000 0.235 143 A C 0.997 178.554 177.584 -0.045 0.000 1.070 143 A CA 0.919 52.925 52.037 -0.052 0.000 0.768 143 A CB 0.116 19.088 19.000 -0.048 0.000 1.011 143 A HN 2.291 nan 8.150 nan 0.000 0.502 144 G N 0.128 108.903 108.800 -0.042 0.000 2.320 144 G HA2 0.422 4.383 3.960 0.001 0.000 0.297 144 G HA3 0.422 4.383 3.960 0.001 0.000 0.297 144 G C -1.257 173.622 174.900 -0.036 0.000 1.344 144 G CA -0.869 44.209 45.100 -0.036 0.000 0.851 144 G HN 0.681 nan 8.290 nan 0.000 0.567 145 E N 0.393 120.574 120.200 -0.031 0.000 2.398 145 E HA 0.190 4.540 4.350 0.001 0.000 0.263 145 E C -1.419 175.160 176.600 -0.036 0.000 1.046 145 E CA -1.283 55.099 56.400 -0.030 0.000 0.908 145 E CB 1.310 30.995 29.700 -0.025 0.000 0.963 145 E HN 0.068 nan 8.360 nan 0.000 0.431 146 P HA -0.215 nan 4.420 nan 0.000 0.216 146 P C 0.844 178.118 177.300 -0.042 0.000 1.154 146 P CA 1.626 64.698 63.100 -0.046 0.000 0.865 146 P CB 0.273 31.944 31.700 -0.048 0.000 0.789 147 E N -0.641 119.539 120.200 -0.033 0.000 2.051 147 E HA -0.171 4.180 4.350 0.001 0.000 0.192 147 E C 2.133 178.716 176.600 -0.029 0.000 0.991 147 E CA 1.316 57.699 56.400 -0.028 0.000 0.799 147 E CB -0.651 29.036 29.700 -0.022 0.000 0.748 147 E HN 0.179 nan 8.360 nan 0.000 0.449 148 A N 1.037 123.839 122.820 -0.030 0.000 1.902 148 A HA -0.131 4.189 4.320 0.001 0.000 0.217 148 A C 2.518 180.080 177.584 -0.037 0.000 1.181 148 A CA 1.139 53.157 52.037 -0.031 0.000 0.623 148 A CB -0.595 18.387 19.000 -0.029 0.000 0.818 148 A HN 0.117 nan 8.150 nan 0.000 0.443 149 V N -0.165 119.723 119.914 -0.043 0.000 2.358 149 V HA -0.219 3.901 4.120 0.001 0.000 0.246 149 V C 3.025 179.089 176.094 -0.050 0.000 1.047 149 V CA 1.806 64.075 62.300 -0.051 0.000 1.035 149 V CB -1.205 30.583 31.823 -0.058 0.000 0.658 149 V HN 0.604 nan 8.190 nan 0.000 0.452 150 A N -0.379 122.414 122.820 -0.045 0.000 1.933 150 A HA -0.239 4.082 4.320 0.001 0.000 0.218 150 A C 2.187 179.752 177.584 -0.032 0.000 1.175 150 A CA 1.846 53.860 52.037 -0.039 0.000 0.628 150 A CB -0.432 18.547 19.000 -0.035 0.000 0.814 150 A HN 0.617 nan 8.150 nan 0.000 0.444 151 E N -0.763 119.419 120.200 -0.031 0.000 2.072 151 E HA -0.212 4.138 4.350 0.001 0.000 0.191 151 E C 2.065 178.646 176.600 -0.031 0.000 0.985 151 E CA 1.219 57.603 56.400 -0.026 0.000 0.801 151 E CB -0.117 29.569 29.700 -0.023 0.000 0.750 151 E HN 0.830 nan 8.360 nan 0.000 0.452 152 E N 0.658 120.833 120.200 -0.041 0.000 2.106 152 E HA -0.180 4.171 4.350 0.001 0.000 0.192 152 E C 2.023 178.587 176.600 -0.059 0.000 0.984 152 E CA 0.881 57.249 56.400 -0.052 0.000 0.806 152 E CB -0.035 29.628 29.700 -0.062 0.000 0.750 152 E HN 0.206 nan 8.360 nan 0.000 0.458 153 A N 1.112 123.900 122.820 -0.054 0.000 1.908 153 A HA -0.171 4.150 4.320 0.001 0.000 0.218 153 A C 2.191 179.756 177.584 -0.031 0.000 1.181 153 A CA 1.259 53.266 52.037 -0.050 0.000 0.627 153 A CB -0.680 18.295 19.000 -0.042 0.000 0.818 153 A HN 0.331 nan 8.150 nan 0.000 0.445 154 L N -0.967 120.243 121.223 -0.023 0.000 2.093 154 L HA -0.165 4.176 4.340 0.001 0.000 0.208 154 L C 3.080 179.947 176.870 -0.006 0.000 1.085 154 L CA 0.924 55.758 54.840 -0.010 0.000 0.755 154 L CB -0.493 41.561 42.059 -0.009 0.000 0.904 154 L HN 0.445 nan 8.230 nan 0.000 0.435 155 A N -0.365 122.447 122.820 -0.014 0.000 1.902 155 A HA -0.142 4.179 4.320 0.001 0.000 0.217 155 A C 2.342 179.933 177.584 0.011 0.000 1.181 155 A CA 1.641 53.674 52.037 -0.006 0.000 0.623 155 A CB -0.775 18.213 19.000 -0.020 0.000 0.818 155 A HN 0.174 nan 8.150 nan 0.000 0.443 156 V N 0.162 120.064 119.914 -0.021 0.000 2.287 156 V HA -0.274 3.847 4.120 0.001 0.000 0.248 156 V C 2.573 178.740 176.094 0.121 0.000 1.053 156 V CA 2.103 64.393 62.300 -0.017 0.000 1.027 156 V CB -0.757 30.976 31.823 -0.150 0.000 0.646 156 V HN 0.580 nan 8.190 nan 0.000 0.447 157 L N -0.825 120.427 121.223 0.049 0.000 2.141 157 L HA -0.139 4.202 4.340 0.001 0.000 0.209 157 L C 2.716 179.600 176.870 0.023 0.000 1.094 157 L CA 1.430 56.291 54.840 0.036 0.000 0.763 157 L CB -0.595 41.471 42.059 0.012 0.000 0.908 157 L HN 0.206 nan 8.230 nan 0.000 0.437 158 R N -0.066 120.452 120.500 0.030 0.000 2.120 158 R HA -0.197 4.144 4.340 0.001 0.000 0.234 158 R C 2.121 178.434 176.300 0.022 0.000 1.123 158 R CA 1.242 57.353 56.100 0.018 0.000 0.975 158 R CB -0.110 30.201 30.300 0.018 0.000 0.866 158 R HN 0.196 nan 8.270 nan 0.000 0.446 159 E N -0.722 119.519 120.200 0.068 0.000 2.347 159 E HA -0.066 4.285 4.350 0.001 0.000 0.196 159 E C 0.848 177.399 176.600 -0.081 0.000 1.008 159 E CA 1.095 57.530 56.400 0.059 0.000 0.852 159 E CB 0.284 30.116 29.700 0.221 0.000 0.783 159 E HN 0.437 nan 8.360 nan 0.000 0.505 160 G N -1.300 107.432 108.800 -0.114 0.000 2.192 160 G HA2 -0.215 3.746 3.960 0.001 0.000 0.193 160 G HA3 -0.215 3.746 3.960 0.001 0.000 0.193 160 G C -0.002 174.566 174.900 -0.554 0.000 0.999 160 G CA -0.192 44.732 45.100 -0.294 0.000 0.659 160 G HN 0.146 nan 8.290 nan 0.000 0.503 161 F N 1.455 121.228 119.950 -0.294 0.000 2.553 161 F HA 0.347 4.875 4.527 0.001 0.000 0.356 161 F C 1.951 177.480 175.800 -0.452 0.000 1.142 161 F CA 0.479 58.273 58.000 -0.344 0.000 1.322 161 F CB 0.505 39.357 39.000 -0.247 0.000 1.126 161 F HN 0.108 nan 8.300 nan 0.000 0.599 162 H N 2.274 121.271 119.070 -0.122 0.000 2.544 162 H HA 0.091 4.647 4.556 0.001 0.000 0.269 162 H C -0.360 175.046 175.328 0.130 0.000 0.970 162 H CA 0.733 56.755 56.048 -0.043 0.000 1.219 162 H CB 0.113 29.842 29.762 -0.054 0.000 1.421 162 H HN 0.466 nan 8.280 nan 0.000 0.555 163 F N -1.924 118.147 119.950 0.201 0.000 2.741 163 F HA 0.543 5.071 4.527 0.001 0.000 0.311 163 F C -1.857 173.985 175.800 0.070 0.000 1.149 163 F CA -1.513 56.584 58.000 0.162 0.000 0.930 163 F CB 0.971 40.134 39.000 0.272 0.000 1.312 163 F HN -0.370 nan 8.300 nan 0.000 0.450 164 V N 2.171 122.285 119.914 0.334 0.000 2.444 164 V HA 0.495 4.616 4.120 0.001 0.000 0.294 164 V C -0.655 175.384 176.094 -0.092 0.000 1.022 164 V CA -0.797 61.553 62.300 0.082 0.000 0.850 164 V CB 1.595 33.422 31.823 0.007 0.000 0.992 164 V HN 0.863 nan 8.190 nan 0.000 0.426 165 K N 5.450 125.717 120.400 -0.220 0.000 2.221 165 K HA 0.760 5.081 4.320 0.001 0.000 0.258 165 K C -1.455 174.950 176.600 -0.325 0.000 0.944 165 K CA -0.623 55.304 56.287 -0.600 0.000 0.823 165 K CB 1.388 33.500 32.500 -0.647 0.000 1.113 165 K HN 0.615 nan 8.250 nan 0.000 0.431 166 L N 3.772 124.811 121.223 -0.308 0.000 2.334 166 L HA 0.473 4.813 4.340 0.001 0.000 0.276 166 L C -0.338 176.438 176.870 -0.157 0.000 1.014 166 L CA -1.066 53.665 54.840 -0.181 0.000 0.815 166 L CB 1.863 43.841 42.059 -0.135 0.000 1.268 166 L HN 0.534 nan 8.230 nan 0.000 0.428 167 K N 2.325 122.650 120.400 -0.125 0.000 2.262 167 K HA 0.531 4.852 4.320 0.001 0.000 0.282 167 K C -0.333 176.203 176.600 -0.106 0.000 1.066 167 K CA -0.372 55.845 56.287 -0.116 0.000 0.901 167 K CB 1.574 34.013 32.500 -0.102 0.000 1.089 167 K HN 0.669 nan 8.250 nan 0.000 0.476 168 A N 2.670 125.416 122.820 -0.122 0.000 2.279 168 A HA 0.366 4.687 4.320 0.001 0.000 0.306 168 A C 1.017 178.539 177.584 -0.105 0.000 1.300 168 A CA -0.427 51.558 52.037 -0.087 0.000 0.925 168 A CB 0.503 19.462 19.000 -0.069 0.000 1.152 168 A HN 0.933 nan 8.150 nan 0.000 0.544 169 G N 1.571 110.336 108.800 -0.058 0.000 2.608 169 G HA2 0.487 4.447 3.960 0.001 0.000 0.210 169 G HA3 0.487 4.447 3.960 0.001 0.000 0.210 169 G C 0.924 175.827 174.900 0.006 0.000 1.139 169 G CA 0.666 45.730 45.100 -0.060 0.000 0.812 169 G HN 2.128 nan 8.290 nan 0.000 0.529 170 G N 0.137 108.969 108.800 0.053 0.000 2.663 170 G HA2 0.107 4.067 3.960 0.001 0.000 0.686 170 G HA3 0.107 4.067 3.960 0.001 0.000 0.686 170 G C -2.271 172.652 174.900 0.038 0.000 1.288 170 G CA -0.352 44.802 45.100 0.090 0.000 0.836 170 G HN 0.404 nan 8.290 nan 0.000 0.584 171 P HA 0.355 nan 4.420 nan 0.000 0.286 171 P C 1.452 178.775 177.300 0.038 0.000 1.293 171 P CA -0.462 62.661 63.100 0.038 0.000 0.770 171 P CB 0.525 32.233 31.700 0.014 0.000 1.206 172 L N 0.464 121.694 121.223 0.011 0.000 1.978 172 L HA -0.235 4.106 4.340 0.001 0.000 0.218 172 L C 2.277 179.151 176.870 0.006 0.000 1.075 172 L CA 2.224 57.059 54.840 -0.007 0.000 0.767 172 L CB -1.129 40.898 42.059 -0.052 0.000 0.890 172 L HN 0.232 nan 8.230 nan 0.000 0.434 173 K N -0.236 120.164 120.400 -0.000 0.000 2.113 173 K HA -0.142 4.179 4.320 0.001 0.000 0.208 173 K C 2.066 178.666 176.600 -0.000 0.000 1.047 173 K CA 1.539 57.826 56.287 0.001 0.000 0.928 173 K CB -0.822 31.676 32.500 -0.002 0.000 0.716 173 K HN 0.554 nan 8.250 nan 0.000 0.446 174 A N 1.878 124.699 122.820 0.002 0.000 1.897 174 A HA -0.160 4.161 4.320 0.001 0.000 0.215 174 A C 1.798 179.379 177.584 -0.007 0.000 1.181 174 A CA 1.646 53.680 52.037 -0.005 0.000 0.620 174 A CB -0.299 18.700 19.000 -0.001 0.000 0.821 174 A HN 0.176 nan 8.150 nan 0.000 0.443 175 D N 0.233 120.645 120.400 0.019 0.000 2.097 175 D HA -0.119 4.522 4.640 0.001 0.000 0.195 175 D C 1.865 178.159 176.300 -0.011 0.000 0.989 175 D CA 1.218 55.236 54.000 0.030 0.000 0.827 175 D CB -0.360 40.508 40.800 0.113 0.000 0.966 175 D HN 0.520 nan 8.370 nan 0.000 0.456 176 I N 1.143 121.710 120.570 -0.004 0.000 2.226 176 I HA -0.257 3.914 4.170 0.001 0.000 0.245 176 I C 2.493 178.540 176.117 -0.117 0.000 1.100 176 I CA 1.012 62.293 61.300 -0.031 0.000 1.374 176 I CB -0.254 37.770 38.000 0.039 0.000 1.057 176 I HN -0.078 nan 8.210 nan 0.000 0.413 177 A N 0.702 123.481 122.820 -0.070 0.000 1.877 177 A HA -0.275 4.045 4.320 0.001 0.000 0.216 177 A C 2.428 179.943 177.584 -0.115 0.000 1.186 177 A CA 2.003 53.994 52.037 -0.078 0.000 0.620 177 A CB -0.689 18.285 19.000 -0.043 0.000 0.822 177 A HN 0.447 nan 8.150 nan 0.000 0.443 178 M N -0.255 119.286 119.600 -0.099 0.000 2.065 178 M HA -0.159 4.322 4.480 0.001 0.000 0.259 178 M C 2.016 178.223 176.300 -0.155 0.000 1.071 178 M CA 2.413 57.651 55.300 -0.102 0.000 1.109 178 M CB -0.328 32.227 32.600 -0.075 0.000 1.313 178 M HN 0.204 nan 8.290 nan 0.000 0.408 179 V N 1.103 120.897 119.914 -0.200 0.000 2.287 179 V HA -0.294 3.827 4.120 0.001 0.000 0.248 179 V C 2.745 178.548 176.094 -0.485 0.000 1.053 179 V CA 2.073 64.200 62.300 -0.289 0.000 1.027 179 V CB -1.681 29.971 31.823 -0.284 0.000 0.646 179 V HN 0.698 nan 8.190 nan 0.000 0.447 180 A N -0.051 122.349 122.820 -0.701 0.000 1.883 180 A HA -0.301 4.020 4.320 0.001 0.000 0.217 180 A C 2.215 179.653 177.584 -0.243 0.000 1.186 180 A CA 2.307 53.935 52.037 -0.683 0.000 0.624 180 A CB -0.579 18.174 19.000 -0.411 0.000 0.822 180 A HN 0.573 nan 8.150 nan 0.000 0.444 181 E N -0.125 119.974 120.200 -0.168 0.000 2.072 181 E HA -0.106 4.244 4.350 0.001 0.000 0.191 181 E C 1.849 178.405 176.600 -0.072 0.000 0.985 181 E CA 1.572 57.920 56.400 -0.087 0.000 0.801 181 E CB -0.446 29.212 29.700 -0.072 0.000 0.750 181 E HN 0.254 nan 8.360 nan 0.000 0.452 182 V N 0.658 120.517 119.914 -0.092 0.000 2.295 182 V HA -0.241 3.880 4.120 0.001 0.000 0.246 182 V C 2.571 178.642 176.094 -0.038 0.000 1.049 182 V CA 2.131 64.393 62.300 -0.063 0.000 1.024 182 V CB -0.625 31.154 31.823 -0.073 0.000 0.648 182 V HN 0.231 nan 8.190 nan 0.000 0.447 183 R N 0.506 120.977 120.500 -0.047 0.000 2.091 183 R HA -0.180 4.161 4.340 0.001 0.000 0.238 183 R C 2.461 178.781 176.300 0.034 0.000 1.136 183 R CA 1.889 57.999 56.100 0.016 0.000 0.959 183 R CB -0.536 29.804 30.300 0.067 0.000 0.856 183 R HN 0.428 nan 8.270 nan 0.000 0.437 184 R N -0.254 120.259 120.500 0.021 0.000 2.083 184 R HA -0.132 4.209 4.340 0.001 0.000 0.237 184 R C 1.988 178.299 176.300 0.018 0.000 1.137 184 R CA 1.786 57.904 56.100 0.030 0.000 0.951 184 R CB -0.433 29.880 30.300 0.021 0.000 0.851 184 R HN 0.364 nan 8.270 nan 0.000 0.434 185 A N 0.447 123.269 122.820 0.004 0.000 1.898 185 A HA -0.099 4.222 4.320 0.001 0.000 0.216 185 A C 2.186 179.774 177.584 0.007 0.000 1.181 185 A CA 1.601 53.639 52.037 0.002 0.000 0.620 185 A CB -0.482 18.512 19.000 -0.009 0.000 0.819 185 A HN 0.368 nan 8.150 nan 0.000 0.442 186 V N -3.536 116.384 119.914 0.010 0.000 2.951 186 V HA 0.494 4.614 4.120 0.001 0.000 0.255 186 V C 1.176 177.286 176.094 0.027 0.000 1.088 186 V CA 0.620 62.930 62.300 0.017 0.000 1.109 186 V CB -1.359 30.476 31.823 0.020 0.000 0.724 186 V HN 1.798 nan 8.190 nan 0.000 0.471 187 G N 0.670 109.490 108.800 0.033 0.000 2.707 187 G HA2 -0.158 3.803 3.960 0.001 0.000 0.686 187 G HA3 -0.158 3.803 3.960 0.001 0.000 0.686 187 G C -0.366 174.564 174.900 0.049 0.000 1.315 187 G CA -0.021 45.102 45.100 0.038 0.000 0.832 187 G HN 0.313 nan 8.290 nan 0.000 0.573 188 D N -0.064 120.365 120.400 0.049 0.000 2.363 188 D HA 0.019 4.659 4.640 0.001 0.000 0.220 188 D C 1.335 177.667 176.300 0.053 0.000 0.994 188 D CA 1.071 55.103 54.000 0.054 0.000 0.890 188 D CB 0.153 40.981 40.800 0.046 0.000 0.906 188 D HN 0.496 nan 8.370 nan 0.000 0.530 189 D N 0.351 120.780 120.400 0.049 0.000 2.350 189 D HA 0.014 4.655 4.640 0.001 0.000 0.213 189 D C 0.620 176.957 176.300 0.063 0.000 1.031 189 D CA 0.082 54.113 54.000 0.051 0.000 0.861 189 D CB 1.096 41.921 40.800 0.042 0.000 0.926 189 D HN 0.037 nan 8.370 nan 0.000 0.520 190 V N 1.990 121.944 119.914 0.067 0.000 2.583 190 V HA 0.003 4.123 4.120 0.001 0.000 0.287 190 V C 0.423 176.584 176.094 0.112 0.000 1.051 190 V CA -0.650 61.700 62.300 0.084 0.000 1.010 190 V CB 1.624 33.489 31.823 0.070 0.000 0.988 190 V HN -0.031 nan 8.190 nan 0.000 0.478 191 D N 4.470 124.963 120.400 0.154 0.000 2.344 191 D HA 0.267 4.907 4.640 0.001 0.000 0.253 191 D C -0.795 175.652 176.300 0.244 0.000 1.255 191 D CA -0.041 54.078 54.000 0.198 0.000 0.894 191 D CB 0.808 41.763 40.800 0.258 0.000 1.067 191 D HN 0.336 nan 8.370 nan 0.000 0.492 192 L N 6.098 127.442 121.223 0.201 0.000 2.385 192 L HA 0.655 4.995 4.340 0.001 0.000 0.273 192 L C -1.442 175.560 176.870 0.219 0.000 0.990 192 L CA -0.701 54.235 54.840 0.159 0.000 0.821 192 L CB 1.228 43.338 42.059 0.085 0.000 1.279 192 L HN 0.306 nan 8.230 nan 0.000 0.412 193 F N 4.164 124.094 119.950 -0.033 0.000 2.685 193 F HA 0.834 5.361 4.527 0.001 0.000 0.315 193 F C -1.068 174.695 175.800 -0.062 0.000 1.126 193 F CA -1.213 56.740 58.000 -0.078 0.000 0.950 193 F CB 1.117 40.005 39.000 -0.186 0.000 1.360 193 F HN 0.484 nan 8.300 nan 0.000 0.469 194 I N -0.482 120.151 120.570 0.104 0.000 2.846 194 I HA 0.719 4.890 4.170 0.001 0.000 0.307 194 I C -1.753 174.374 176.117 0.016 0.000 1.053 194 I CA -0.717 60.566 61.300 -0.027 0.000 1.050 194 I CB 2.141 40.140 38.000 -0.002 0.000 1.239 194 I HN 0.628 nan 8.210 nan 0.000 0.439 195 D N 3.942 124.297 120.400 -0.076 0.000 2.492 195 D HA 0.405 5.046 4.640 0.001 0.000 0.248 195 D C 0.215 176.401 176.300 -0.190 0.000 1.101 195 D CA -0.534 53.423 54.000 -0.072 0.000 0.840 195 D CB 1.849 42.629 40.800 -0.033 0.000 1.209 195 D HN 0.514 nan 8.370 nan 0.000 0.524 196 I N 2.032 122.424 120.570 -0.297 0.000 3.783 196 I HA 0.051 4.222 4.170 0.001 0.000 0.310 196 I C 0.585 176.475 176.117 -0.378 0.000 1.274 196 I CA 0.017 60.998 61.300 -0.531 0.000 1.294 196 I CB -1.060 36.319 38.000 -1.035 0.000 1.051 196 I HN 0.515 nan 8.210 nan 0.000 0.435 197 N N 1.899 120.494 118.700 -0.175 0.000 2.708 197 N HA -0.208 4.532 4.740 0.001 0.000 0.249 197 N C 1.181 176.640 175.510 -0.084 0.000 1.097 197 N CA 1.016 54.042 53.050 -0.040 0.000 0.710 197 N CB -1.565 36.817 38.487 -0.175 0.000 1.032 197 N HN 0.625 nan 8.380 nan 0.000 0.551 198 G N -1.219 107.498 108.800 -0.137 0.000 2.225 198 G HA2 -0.249 3.711 3.960 0.001 0.000 0.267 198 G HA3 -0.249 3.711 3.960 0.001 0.000 0.267 198 G C 0.937 175.748 174.900 -0.148 0.000 1.024 198 G CA 0.922 45.946 45.100 -0.127 0.000 0.784 198 G HN 0.999 nan 8.290 nan 0.000 0.507 199 A N -1.294 121.371 122.820 -0.258 0.000 2.238 199 A HA 0.443 4.763 4.320 0.001 0.000 0.208 199 A C 0.917 178.512 177.584 0.017 0.000 1.177 199 A CA 0.485 52.416 52.037 -0.177 0.000 0.804 199 A CB -0.036 18.808 19.000 -0.259 0.000 0.823 199 A HN 0.508 nan 8.150 nan 0.000 0.482 200 W N 0.623 121.892 121.300 -0.050 0.000 2.448 200 W HA 0.483 5.143 4.660 0.000 0.000 0.339 200 W C 0.535 177.036 176.519 -0.030 0.000 1.124 200 W CA -0.734 56.586 57.345 -0.042 0.000 1.262 200 W CB 0.497 29.926 29.460 -0.052 0.000 1.251 200 W HN 0.165 nan 8.180 nan 0.000 0.597 201 T N -1.234 113.457 114.554 0.228 0.000 2.874 201 T HA 0.097 4.448 4.350 0.001 0.000 0.281 201 T C 0.800 175.584 174.700 0.141 0.000 0.994 201 T CA -0.291 61.901 62.100 0.154 0.000 1.015 201 T CB 1.043 69.981 68.868 0.117 0.000 1.028 201 T HN 0.377 nan 8.240 nan 0.000 0.523 202 Y N 1.842 122.166 120.300 0.041 0.000 2.102 202 Y HA -0.278 4.273 4.550 0.001 0.000 0.280 202 Y C 2.335 178.227 175.900 -0.014 0.000 1.178 202 Y CA 2.765 60.879 58.100 0.022 0.000 1.146 202 Y CB -0.508 37.963 38.460 0.018 0.000 0.968 202 Y HN 0.877 nan 8.280 nan 0.000 0.504 203 D N -0.597 119.764 120.400 -0.064 0.000 2.117 203 D HA -0.233 4.408 4.640 0.001 0.000 0.197 203 D C 1.878 178.007 176.300 -0.284 0.000 0.987 203 D CA 1.713 55.608 54.000 -0.175 0.000 0.829 203 D CB -0.866 39.915 40.800 -0.033 0.000 0.961 203 D HN 0.538 nan 8.370 nan 0.000 0.460 204 Q N 0.559 120.198 119.800 -0.268 0.000 2.077 204 Q HA -0.149 4.191 4.340 0.001 0.000 0.206 204 Q C 2.482 178.005 176.000 -0.794 0.000 0.989 204 Q CA 2.067 57.575 55.803 -0.492 0.000 0.853 204 Q CB -0.277 28.171 28.738 -0.484 0.000 0.907 204 Q HN 0.460 nan 8.270 nan 0.000 0.418 205 A N 0.763 123.247 122.820 -0.561 0.000 1.865 205 A HA -0.215 4.105 4.320 0.001 0.000 0.217 205 A C 2.028 179.365 177.584 -0.412 0.000 1.191 205 A CA 1.458 53.250 52.037 -0.409 0.000 0.623 205 A CB -0.858 18.172 19.000 0.049 0.000 0.826 205 A HN 0.368 nan 8.150 nan 0.000 0.444 206 L N -0.136 120.815 121.223 -0.453 0.000 2.012 206 L HA -0.148 4.193 4.340 0.001 0.000 0.210 206 L C 2.520 179.222 176.870 -0.279 0.000 1.073 206 L CA 2.878 57.498 54.840 -0.368 0.000 0.748 206 L CB -1.242 40.539 42.059 -0.464 0.000 0.891 206 L HN 0.424 nan 8.230 nan 0.000 0.431 207 T N -1.214 113.151 114.554 -0.315 0.000 2.674 207 T HA -0.167 4.183 4.350 0.001 0.000 0.265 207 T C 1.703 176.245 174.700 -0.263 0.000 1.039 207 T CA 2.096 64.044 62.100 -0.254 0.000 1.150 207 T CB -0.518 68.199 68.868 -0.251 0.000 0.864 207 T HN 0.439 nan 8.240 nan 0.000 0.427 208 T N 2.078 116.378 114.554 -0.424 0.000 2.777 208 T HA 0.065 4.416 4.350 0.001 0.000 0.266 208 T C 2.013 176.601 174.700 -0.186 0.000 1.040 208 T CA 0.823 62.696 62.100 -0.378 0.000 1.141 208 T CB -0.389 68.021 68.868 -0.763 0.000 0.868 208 T HN 0.294 nan 8.240 nan 0.000 0.444 209 I N 0.609 121.069 120.570 -0.183 0.000 2.226 209 I HA -0.154 4.017 4.170 0.001 0.000 0.245 209 I C 2.798 178.905 176.117 -0.017 0.000 1.100 209 I CA 1.287 62.579 61.300 -0.013 0.000 1.374 209 I CB -0.272 37.740 38.000 0.021 0.000 1.057 209 I HN 0.120 nan 8.210 nan 0.000 0.413 210 R N 0.575 121.036 120.500 -0.064 0.000 2.115 210 R HA -0.057 4.283 4.340 0.001 0.000 0.230 210 R C 2.359 178.636 176.300 -0.038 0.000 1.111 210 R CA 1.254 57.325 56.100 -0.048 0.000 0.976 210 R CB -0.332 29.930 30.300 -0.064 0.000 0.870 210 R HN 0.331 nan 8.270 nan 0.000 0.445 211 A N 0.631 123.427 122.820 -0.040 0.000 2.067 211 A HA -0.048 4.272 4.320 0.001 0.000 0.219 211 A C 1.857 179.473 177.584 0.054 0.000 1.158 211 A CA 0.964 52.995 52.037 -0.010 0.000 0.661 211 A CB -0.166 18.824 19.000 -0.018 0.000 0.801 211 A HN 0.192 nan 8.150 nan 0.000 0.452 212 L N -1.196 120.079 121.223 0.088 0.000 2.585 212 L HA 0.051 4.392 4.340 0.001 0.000 0.226 212 L C 1.920 178.862 176.870 0.120 0.000 1.113 212 L CA 0.134 55.107 54.840 0.221 0.000 0.876 212 L CB -0.261 41.934 42.059 0.226 0.000 1.072 212 L HN 0.404 nan 8.230 nan 0.000 0.468 213 E N 1.488 121.696 120.200 0.015 0.000 2.147 213 E HA -0.286 4.064 4.350 0.001 0.000 0.199 213 E C 1.866 178.411 176.600 -0.093 0.000 1.005 213 E CA 1.647 58.036 56.400 -0.019 0.000 0.810 213 E CB -0.104 29.577 29.700 -0.032 0.000 0.736 213 E HN 0.539 nan 8.360 nan 0.000 0.460 214 K N 0.176 120.425 120.400 -0.250 0.000 2.442 214 K HA -0.154 4.167 4.320 0.001 0.000 0.198 214 K C 0.863 177.200 176.600 -0.437 0.000 1.044 214 K CA 1.227 57.283 56.287 -0.384 0.000 0.948 214 K CB -0.109 32.073 32.500 -0.530 0.000 0.762 214 K HN 0.198 nan 8.250 nan 0.000 0.472 215 Y N 1.481 121.791 120.300 0.017 0.000 2.457 215 Y HA 0.182 4.733 4.550 0.001 0.000 0.263 215 Y C -0.249 175.668 175.900 0.027 0.000 1.164 215 Y CA -0.875 57.237 58.100 0.021 0.000 1.274 215 Y CB -0.211 38.263 38.460 0.023 0.000 1.097 215 Y HN 0.086 nan 8.280 nan 0.000 0.523 216 N N 1.196 119.956 118.700 0.099 0.000 2.669 216 N HA -0.216 4.525 4.740 0.001 0.000 0.266 216 N C -0.718 174.852 175.510 0.099 0.000 1.024 216 N CA 0.579 53.676 53.050 0.077 0.000 0.766 216 N CB -1.293 37.226 38.487 0.054 0.000 0.898 216 N HN 0.395 nan 8.380 nan 0.000 0.548 217 L N 0.396 121.688 121.223 0.115 0.000 2.439 217 L HA 0.048 4.388 4.340 0.001 0.000 0.269 217 L C 1.978 178.890 176.870 0.070 0.000 1.179 217 L CA -0.063 54.845 54.840 0.114 0.000 0.828 217 L CB 0.634 42.771 42.059 0.130 0.000 1.106 217 L HN 0.354 nan 8.230 nan 0.000 0.467 218 S N 1.120 116.855 115.700 0.057 0.000 2.453 218 S HA -0.025 4.446 4.470 0.001 0.000 0.231 218 S C 0.287 174.798 174.600 -0.150 0.000 1.005 218 S CA 0.454 58.629 58.200 -0.041 0.000 0.949 218 S CB -0.164 62.987 63.200 -0.080 0.000 0.774 218 S HN 0.775 nan 8.310 nan 0.000 0.510 219 K N -0.801 119.515 120.400 -0.139 0.000 2.772 219 K HA 0.447 4.768 4.320 0.001 0.000 0.292 219 K C -2.087 174.480 176.600 -0.056 0.000 1.049 219 K CA -1.046 55.116 56.287 -0.208 0.000 0.846 219 K CB 0.290 32.368 32.500 -0.703 0.000 1.514 219 K HN -0.011 nan 8.250 nan 0.000 0.373 220 I N 1.383 121.945 120.570 -0.014 0.000 2.410 220 I HA 0.264 4.435 4.170 0.001 0.000 0.286 220 I C -0.447 175.698 176.117 0.048 0.000 1.009 220 I CA -0.267 61.069 61.300 0.061 0.000 1.111 220 I CB 1.305 39.373 38.000 0.114 0.000 1.262 220 I HN 0.755 nan 8.210 nan 0.000 0.443 221 E N 5.677 125.912 120.200 0.059 0.000 2.194 221 E HA 0.117 4.468 4.350 0.001 0.000 0.284 221 E C -0.104 176.514 176.600 0.030 0.000 1.035 221 E CA -0.432 56.015 56.400 0.079 0.000 0.836 221 E CB 0.603 30.388 29.700 0.141 0.000 1.070 221 E HN 0.455 nan 8.360 nan 0.000 0.401 222 Q N 4.107 123.940 119.800 0.056 0.000 2.429 222 Q HA -0.167 4.174 4.340 0.001 0.000 0.365 222 Q C -2.009 173.943 176.000 -0.080 0.000 1.384 222 Q CA 0.680 56.492 55.803 0.015 0.000 1.089 222 Q CB -0.147 28.622 28.738 0.051 0.000 1.264 222 Q HN 0.511 nan 8.270 nan 0.000 0.342 223 P HA -0.106 nan 4.420 nan 0.000 0.220 223 P C 0.106 177.387 177.300 -0.031 0.000 1.152 223 P CA 1.039 64.074 63.100 -0.107 0.000 0.812 223 P CB 0.343 32.149 31.700 0.176 0.000 0.792 224 L N -0.701 120.514 121.223 -0.013 0.000 2.304 224 L HA 0.506 4.846 4.340 0.001 0.000 0.268 224 L C -2.392 174.368 176.870 -0.183 0.000 1.010 224 L CA -3.116 51.688 54.840 -0.060 0.000 0.813 224 L CB 0.808 42.837 42.059 -0.050 0.000 1.315 224 L HN -0.366 nan 8.230 nan 0.000 0.445 225 P HA -0.064 nan 4.420 nan 0.000 0.267 225 P C 0.054 177.062 177.300 -0.486 0.000 1.201 225 P CA 0.207 63.016 63.100 -0.485 0.000 0.775 225 P CB 0.618 31.741 31.700 -0.963 0.000 0.854 226 A N 4.020 126.695 122.820 -0.243 0.000 1.948 226 A HA -0.181 4.140 4.320 0.001 0.000 0.220 226 A C 1.772 179.319 177.584 -0.062 0.000 1.177 226 A CA 1.816 53.803 52.037 -0.083 0.000 0.636 226 A CB -1.518 17.508 19.000 0.044 0.000 0.815 226 A HN 0.842 nan 8.150 nan 0.000 0.449 227 W N -0.774 120.552 121.300 0.044 0.000 2.770 227 W HA 0.131 4.792 4.660 0.001 0.000 0.256 227 W C 0.001 176.544 176.519 0.040 0.000 1.291 227 W CA 0.513 57.880 57.345 0.038 0.000 1.396 227 W CB -0.691 28.791 29.460 0.036 0.000 1.114 227 W HN 0.364 nan 8.180 nan 0.000 0.637 228 D N 2.539 122.638 120.400 -0.502 0.000 2.767 228 D HA 0.085 4.726 4.640 0.001 0.000 0.231 228 D C 1.543 177.786 176.300 -0.096 0.000 1.105 228 D CA 0.158 53.960 54.000 -0.329 0.000 1.024 228 D CB -0.421 39.946 40.800 -0.722 0.000 1.123 228 D HN 0.081 nan 8.370 nan 0.000 0.470 229 L N 0.188 121.421 121.223 0.016 0.000 2.083 229 L HA -0.123 4.217 4.340 0.001 0.000 0.209 229 L C 1.676 178.557 176.870 0.018 0.000 1.083 229 L CA 0.807 55.656 54.840 0.014 0.000 0.752 229 L CB -0.187 41.891 42.059 0.033 0.000 0.899 229 L HN 0.165 nan 8.230 nan 0.000 0.433 230 D N 0.315 120.736 120.400 0.036 0.000 2.144 230 D HA -0.135 4.506 4.640 0.001 0.000 0.199 230 D C 2.114 178.415 176.300 0.002 0.000 0.984 230 D CA 1.522 55.534 54.000 0.020 0.000 0.834 230 D CB -0.196 40.621 40.800 0.029 0.000 0.955 230 D HN 0.366 nan 8.370 nan 0.000 0.465 231 G N 0.610 109.413 108.800 0.004 0.000 2.402 231 G HA2 -0.199 3.762 3.960 0.001 0.000 0.216 231 G HA3 -0.199 3.762 3.960 0.001 0.000 0.216 231 G C 1.606 176.569 174.900 0.105 0.000 1.162 231 G CA 0.338 45.458 45.100 0.033 0.000 0.777 231 G HN 0.105 nan 8.290 nan 0.000 0.539 232 M N 1.201 120.832 119.600 0.052 0.000 2.108 232 M HA -0.029 4.452 4.480 0.001 0.000 0.261 232 M C 3.008 179.346 176.300 0.065 0.000 1.066 232 M CA 1.492 56.827 55.300 0.058 0.000 1.107 232 M CB -1.066 31.544 32.600 0.018 0.000 1.356 232 M HN 0.334 nan 8.290 nan 0.000 0.406 233 A N -0.207 122.638 122.820 0.042 0.000 1.898 233 A HA -0.178 4.143 4.320 0.001 0.000 0.216 233 A C 2.344 179.961 177.584 0.055 0.000 1.181 233 A CA 1.712 53.769 52.037 0.034 0.000 0.620 233 A CB -0.724 18.284 19.000 0.014 0.000 0.819 233 A HN 0.464 nan 8.150 nan 0.000 0.442 234 R N -0.857 119.680 120.500 0.060 0.000 2.096 234 R HA -0.140 4.200 4.340 0.001 0.000 0.235 234 R C 2.033 178.458 176.300 0.208 0.000 1.127 234 R CA 1.653 57.799 56.100 0.075 0.000 0.968 234 R CB -0.398 29.869 30.300 -0.055 0.000 0.861 234 R HN 0.433 nan 8.270 nan 0.000 0.440 235 L N 1.385 122.779 121.223 0.285 0.000 2.017 235 L HA -0.139 4.201 4.340 0.001 0.000 0.208 235 L C 2.050 178.993 176.870 0.123 0.000 1.073 235 L CA 1.774 56.758 54.840 0.240 0.000 0.745 235 L CB -0.391 41.774 42.059 0.176 0.000 0.894 235 L HN 0.079 nan 8.230 nan 0.000 0.432 236 R N -0.768 119.789 120.500 0.095 0.000 2.303 236 R HA -0.081 4.260 4.340 0.001 0.000 0.225 236 R C 1.830 178.164 176.300 0.056 0.000 1.114 236 R CA 0.793 56.931 56.100 0.063 0.000 1.007 236 R CB -0.592 29.735 30.300 0.045 0.000 0.861 236 R HN 0.581 nan 8.270 nan 0.000 0.471 237 G N -0.120 108.722 108.800 0.070 0.000 2.939 237 G HA2 -0.062 3.898 3.960 0.001 0.000 0.210 237 G HA3 -0.062 3.898 3.960 0.001 0.000 0.210 237 G C 1.146 176.082 174.900 0.060 0.000 1.160 237 G CA -0.054 45.080 45.100 0.057 0.000 0.770 237 G HN 0.052 nan 8.290 nan 0.000 0.543 238 K N 0.046 120.489 120.400 0.072 0.000 2.402 238 K HA 0.253 4.574 4.320 0.001 0.000 0.203 238 K C 0.393 177.008 176.600 0.024 0.000 1.077 238 K CA 0.120 56.439 56.287 0.054 0.000 1.051 238 K CB 1.155 33.701 32.500 0.078 0.000 0.907 238 K HN 0.346 nan 8.250 nan 0.000 0.554 239 V N -3.559 116.371 119.914 0.026 0.000 3.040 239 V HA 0.773 4.894 4.120 0.001 0.000 0.312 239 V C 0.657 176.767 176.094 0.026 0.000 1.115 239 V CA -0.619 61.691 62.300 0.017 0.000 0.998 239 V CB 1.849 33.681 31.823 0.015 0.000 1.042 239 V HN -0.112 nan 8.190 nan 0.000 0.433 240 A N 1.069 123.903 122.820 0.022 0.000 1.984 240 A HA 0.256 4.577 4.320 0.001 0.000 0.214 240 A C 1.263 178.867 177.584 0.034 0.000 1.173 240 A CA 1.037 53.088 52.037 0.025 0.000 0.673 240 A CB -0.608 18.402 19.000 0.017 0.000 0.830 240 A HN 0.986 nan 8.150 nan 0.000 0.453 241 T N 3.288 117.865 114.554 0.039 0.000 2.908 241 T HA 0.312 4.662 4.350 0.001 0.000 0.301 241 T C -2.463 172.273 174.700 0.061 0.000 1.019 241 T CA -0.398 61.731 62.100 0.047 0.000 1.152 241 T CB 0.413 69.316 68.868 0.058 0.000 0.966 241 T HN 0.136 nan 8.240 nan 0.000 0.540 242 P HA 0.155 nan 4.420 nan 0.000 0.266 242 P C -0.577 176.817 177.300 0.157 0.000 1.195 242 P CA -0.228 62.944 63.100 0.120 0.000 0.768 242 P CB 0.354 32.156 31.700 0.170 0.000 0.838 243 I N 3.859 124.538 120.570 0.182 0.000 2.389 243 I HA 0.284 4.455 4.170 0.001 0.000 0.288 243 I C -0.227 176.046 176.117 0.261 0.000 0.999 243 I CA -0.810 60.600 61.300 0.183 0.000 1.129 243 I CB 0.409 38.472 38.000 0.105 0.000 1.288 243 I HN 0.297 nan 8.210 nan 0.000 0.444 244 Y N 3.664 123.938 120.300 -0.044 0.000 2.457 244 Y HA 0.697 5.247 4.550 0.001 0.000 0.333 244 Y C 0.535 176.431 175.900 -0.007 0.000 1.119 244 Y CA -1.238 56.833 58.100 -0.049 0.000 1.143 244 Y CB 1.889 40.288 38.460 -0.101 0.000 1.230 244 Y HN 0.610 nan 8.280 nan 0.000 0.469 245 A N 1.629 124.522 122.820 0.123 0.000 2.318 245 A HA 0.536 4.857 4.320 0.001 0.000 0.324 245 A C -0.165 177.521 177.584 0.170 0.000 1.170 245 A CA -0.259 51.842 52.037 0.106 0.000 0.810 245 A CB 0.951 19.976 19.000 0.040 0.000 1.198 245 A HN 0.765 nan 8.150 nan 0.000 0.484 246 D N 0.933 121.440 120.400 0.178 0.000 3.074 246 D HA 0.029 4.670 4.640 0.001 0.000 0.227 246 D C 1.238 177.662 176.300 0.207 0.000 1.553 246 D CA 0.585 54.726 54.000 0.234 0.000 1.347 246 D CB -0.134 40.821 40.800 0.259 0.000 1.021 246 D HN 0.418 nan 8.370 nan 0.000 0.260 247 E N 0.279 120.586 120.200 0.178 0.000 2.171 247 E HA -0.082 4.269 4.350 0.001 0.000 0.197 247 E C 2.088 178.716 176.600 0.045 0.000 0.997 247 E CA 1.364 57.802 56.400 0.062 0.000 0.810 247 E CB -0.161 29.583 29.700 0.074 0.000 0.738 247 E HN 0.102 nan 8.360 nan 0.000 0.467 248 S N -0.211 115.524 115.700 0.058 0.000 2.423 248 S HA 0.009 4.480 4.470 0.001 0.000 0.231 248 S C 1.060 175.685 174.600 0.043 0.000 1.014 248 S CA 0.709 58.931 58.200 0.036 0.000 0.965 248 S CB 0.123 63.330 63.200 0.013 0.000 0.785 248 S HN 0.320 nan 8.310 nan 0.000 0.495 249 A N 1.369 124.251 122.820 0.105 0.000 3.016 249 A HA 0.434 4.755 4.320 0.001 0.000 0.303 249 A C 0.884 178.677 177.584 0.349 0.000 1.507 249 A CA -0.539 51.587 52.037 0.148 0.000 1.196 249 A CB 0.113 19.233 19.000 0.201 0.000 1.169 249 A HN 0.425 nan 8.150 nan 0.000 0.544 250 Q N 0.682 120.594 119.800 0.187 0.000 2.514 250 Q HA 0.096 4.437 4.340 0.001 0.000 0.208 250 Q C 0.112 176.242 176.000 0.216 0.000 0.938 250 Q CA 0.368 56.295 55.803 0.207 0.000 0.892 250 Q CB 0.215 28.980 28.738 0.046 0.000 1.050 250 Q HN 0.658 nan 8.270 nan 0.000 0.595 251 E N 0.598 120.779 120.200 -0.033 0.000 2.239 251 E HA 0.128 4.479 4.350 0.001 0.000 0.261 251 E C 1.275 177.739 176.600 -0.227 0.000 1.016 251 E CA -0.292 56.024 56.400 -0.139 0.000 0.882 251 E CB 1.067 30.507 29.700 -0.433 0.000 1.190 251 E HN 0.280 nan 8.360 nan 0.000 0.415 252 L N 0.965 122.119 121.223 -0.115 0.000 2.012 252 L HA -0.236 4.105 4.340 0.001 0.000 0.210 252 L C 2.387 179.178 176.870 -0.132 0.000 1.073 252 L CA 1.402 56.175 54.840 -0.111 0.000 0.748 252 L CB -0.797 41.266 42.059 0.007 0.000 0.891 252 L HN 0.574 nan 8.230 nan 0.000 0.431 253 H N -1.153 117.894 119.070 -0.039 0.000 2.456 253 H HA -0.119 4.437 4.556 0.001 0.000 0.296 253 H C 1.246 176.547 175.328 -0.046 0.000 1.079 253 H CA 1.174 57.199 56.048 -0.039 0.000 1.322 253 H CB -0.550 29.202 29.762 -0.016 0.000 1.388 253 H HN 0.380 nan 8.280 nan 0.000 0.538 254 D N 1.209 121.379 120.400 -0.383 0.000 2.097 254 D HA -0.083 4.558 4.640 0.001 0.000 0.197 254 D C 2.381 178.577 176.300 -0.173 0.000 0.984 254 D CA 0.565 54.439 54.000 -0.211 0.000 0.826 254 D CB -0.093 40.582 40.800 -0.209 0.000 0.973 254 D HN 0.243 nan 8.370 nan 0.000 0.460 255 L N 0.572 121.639 121.223 -0.260 0.000 2.079 255 L HA -0.140 4.200 4.340 0.001 0.000 0.210 255 L C 2.359 179.105 176.870 -0.205 0.000 1.081 255 L CA 0.886 55.540 54.840 -0.310 0.000 0.752 255 L CB -0.963 40.796 42.059 -0.500 0.000 0.896 255 L HN 0.076 nan 8.230 nan 0.000 0.433 256 L N -0.311 120.824 121.223 -0.146 0.000 2.017 256 L HA -0.133 4.207 4.340 0.001 0.000 0.208 256 L C 2.512 179.343 176.870 -0.066 0.000 1.073 256 L CA 2.036 56.821 54.840 -0.092 0.000 0.745 256 L CB -0.951 41.082 42.059 -0.043 0.000 0.894 256 L HN 0.178 nan 8.230 nan 0.000 0.432 257 A N -0.316 122.478 122.820 -0.043 0.000 1.933 257 A HA -0.184 4.136 4.320 0.001 0.000 0.218 257 A C 2.286 179.846 177.584 -0.040 0.000 1.175 257 A CA 2.117 54.142 52.037 -0.021 0.000 0.628 257 A CB -0.895 18.111 19.000 0.010 0.000 0.814 257 A HN 0.541 nan 8.150 nan 0.000 0.444 258 I N 0.342 120.870 120.570 -0.070 0.000 2.252 258 I HA -0.245 3.926 4.170 0.001 0.000 0.245 258 I C 2.508 178.575 176.117 -0.083 0.000 1.102 258 I CA 1.688 62.941 61.300 -0.079 0.000 1.385 258 I CB -0.357 37.575 38.000 -0.113 0.000 1.064 258 I HN 0.585 nan 8.210 nan 0.000 0.414 259 I N -1.070 119.439 120.570 -0.101 0.000 2.315 259 I HA -0.192 3.979 4.170 0.001 0.000 0.248 259 I C 2.068 178.147 176.117 -0.063 0.000 1.117 259 I CA 1.579 62.824 61.300 -0.092 0.000 1.404 259 I CB -0.643 37.292 38.000 -0.108 0.000 1.071 259 I HN 0.157 nan 8.210 nan 0.000 0.419 260 N N 1.996 120.665 118.700 -0.052 0.000 2.244 260 N HA -0.115 4.626 4.740 0.001 0.000 0.183 260 N C 1.631 177.126 175.510 -0.026 0.000 1.016 260 N CA 1.366 54.395 53.050 -0.035 0.000 0.866 260 N CB -0.206 38.266 38.487 -0.026 0.000 0.980 260 N HN 0.557 nan 8.380 nan 0.000 0.430 261 K N -0.323 120.062 120.400 -0.025 0.000 2.379 261 K HA 0.164 4.485 4.320 0.001 0.000 0.194 261 K C 0.517 177.106 176.600 -0.018 0.000 1.031 261 K CA 0.271 56.549 56.287 -0.016 0.000 1.037 261 K CB 0.393 32.889 32.500 -0.007 0.000 0.824 261 K HN 0.128 nan 8.250 nan 0.000 0.516 262 G N 1.552 110.334 108.800 -0.030 0.000 2.333 262 G HA2 -0.293 3.668 3.960 0.001 0.000 0.296 262 G HA3 -0.293 3.668 3.960 0.001 0.000 0.296 262 G C 0.498 175.383 174.900 -0.024 0.000 1.059 262 G CA 0.288 45.369 45.100 -0.031 0.000 1.050 262 G HN 0.383 nan 8.290 nan 0.000 0.508 263 A N -1.231 121.570 122.820 -0.032 0.000 2.275 263 A HA 0.816 5.136 4.320 0.001 0.000 0.212 263 A C 1.294 178.860 177.584 -0.029 0.000 1.201 263 A CA 1.492 53.517 52.037 -0.020 0.000 0.843 263 A CB 0.247 19.236 19.000 -0.018 0.000 0.873 263 A HN 2.311 nan 8.150 nan 0.000 0.492 264 A N -1.099 121.685 122.820 -0.060 0.000 2.594 264 A HA 0.574 4.895 4.320 0.001 0.000 0.295 264 A C -0.693 176.800 177.584 -0.152 0.000 1.071 264 A CA -0.347 51.633 52.037 -0.096 0.000 0.685 264 A CB 0.631 19.555 19.000 -0.127 0.000 1.285 264 A HN 0.035 nan 8.150 nan 0.000 0.405 265 D N 0.212 120.483 120.400 -0.215 0.000 2.407 265 D HA 0.344 4.985 4.640 0.001 0.000 0.208 265 D C 0.669 176.566 176.300 -0.671 0.000 1.083 265 D CA 1.335 55.178 54.000 -0.263 0.000 0.844 265 D CB 1.282 42.039 40.800 -0.070 0.000 0.967 265 D HN 0.899 nan 8.370 nan 0.000 0.506 266 G N 0.239 108.393 108.800 -1.076 0.000 2.506 266 G HA2 0.547 4.508 3.960 0.001 0.000 0.292 266 G HA3 0.547 4.508 3.960 0.001 0.000 0.292 266 G C -1.835 172.576 174.900 -0.816 0.000 1.425 266 G CA -0.692 43.470 45.100 -1.564 0.000 0.788 266 G HN 0.002 nan 8.290 nan 0.000 0.490 267 L N -0.789 120.223 121.223 -0.353 0.000 2.350 267 L HA 0.807 5.147 4.340 0.001 0.000 0.260 267 L C -0.754 176.263 176.870 0.245 0.000 1.015 267 L CA -0.971 53.900 54.840 0.051 0.000 0.821 267 L CB 2.525 44.660 42.059 0.127 0.000 1.370 267 L HN 0.438 nan 8.230 nan 0.000 0.416 268 M N 2.315 122.108 119.600 0.321 0.000 2.464 268 M HA 0.606 5.086 4.480 0.001 0.000 0.308 268 M C -0.977 175.435 176.300 0.187 0.000 1.127 268 M CA 0.011 55.458 55.300 0.244 0.000 0.913 268 M CB 2.530 35.258 32.600 0.214 0.000 1.689 268 M HN 0.457 nan 8.290 nan 0.000 0.445 269 I N 1.220 121.764 120.570 -0.043 0.000 3.042 269 I HA 0.632 4.803 4.170 0.001 0.000 0.310 269 I C -1.381 174.628 176.117 -0.180 0.000 1.117 269 I CA -0.703 60.358 61.300 -0.398 0.000 1.003 269 I CB 1.864 39.285 38.000 -0.964 0.000 1.228 269 I HN 0.597 nan 8.210 nan 0.000 0.443 270 K N 2.691 122.973 120.400 -0.197 0.000 2.535 270 K HA 0.238 4.558 4.320 0.001 0.000 0.251 270 K C 0.385 176.945 176.600 -0.066 0.000 0.942 270 K CA -0.319 55.936 56.287 -0.054 0.000 0.798 270 K CB 2.136 34.672 32.500 0.060 0.000 1.267 270 K HN 0.778 nan 8.250 nan 0.000 0.434 271 T N -0.660 113.903 114.554 0.015 0.000 2.737 271 T HA -0.247 4.104 4.350 0.001 0.000 0.269 271 T C 1.457 176.249 174.700 0.153 0.000 1.040 271 T CA 1.414 63.585 62.100 0.118 0.000 1.142 271 T CB -0.066 68.971 68.868 0.282 0.000 0.861 271 T HN 0.515 nan 8.240 nan 0.000 0.456 272 Q N 0.946 120.851 119.800 0.176 0.000 2.167 272 Q HA 0.114 4.455 4.340 0.001 0.000 0.202 272 Q C 2.322 178.347 176.000 0.043 0.000 0.970 272 Q CA 1.246 57.113 55.803 0.107 0.000 0.855 272 Q CB -0.230 28.589 28.738 0.136 0.000 0.911 272 Q HN 0.685 nan 8.270 nan 0.000 0.438 273 K N 0.282 120.710 120.400 0.046 0.000 2.031 273 K HA -0.033 4.288 4.320 0.001 0.000 0.205 273 K C 1.984 178.569 176.600 -0.025 0.000 1.049 273 K CA 1.070 57.363 56.287 0.010 0.000 0.939 273 K CB -0.166 32.356 32.500 0.037 0.000 0.717 273 K HN 0.178 nan 8.250 nan 0.000 0.438 274 A N 0.288 123.054 122.820 -0.089 0.000 1.972 274 A HA 0.019 4.340 4.320 0.001 0.000 0.219 274 A C 1.608 179.189 177.584 -0.004 0.000 1.169 274 A CA 1.748 53.735 52.037 -0.082 0.000 0.635 274 A CB -0.683 18.185 19.000 -0.220 0.000 0.810 274 A HN 0.667 nan 8.150 nan 0.000 0.446 275 G N -3.628 105.154 108.800 -0.030 0.000 2.154 275 G HA2 0.418 4.378 3.960 0.001 0.000 0.186 275 G HA3 0.418 4.378 3.960 0.001 0.000 0.186 275 G C 1.003 175.834 174.900 -0.115 0.000 1.000 275 G CA 0.329 45.396 45.100 -0.055 0.000 0.664 275 G HN 2.384 nan 8.290 nan 0.000 0.513 276 G N -1.781 106.956 108.800 -0.105 0.000 2.353 276 G HA2 0.294 4.254 3.960 0.001 0.000 0.424 276 G HA3 0.294 4.254 3.960 0.001 0.000 0.424 276 G C 0.604 175.543 174.900 0.065 0.000 1.320 276 G CA -0.125 44.898 45.100 -0.129 0.000 0.995 276 G HN 0.871 nan 8.290 nan 0.000 0.580 277 L N -0.164 121.120 121.223 0.102 0.000 2.027 277 L HA 0.008 4.349 4.340 0.001 0.000 0.206 277 L C 2.953 179.843 176.870 0.033 0.000 1.074 277 L CA 1.624 56.466 54.840 0.003 0.000 0.745 277 L CB -0.426 41.422 42.059 -0.352 0.000 0.898 277 L HN 0.544 nan 8.230 nan 0.000 0.433 278 L N -0.061 121.223 121.223 0.102 0.000 2.017 278 L HA -0.188 4.153 4.340 0.001 0.000 0.208 278 L C 2.499 179.431 176.870 0.103 0.000 1.073 278 L CA 1.870 56.791 54.840 0.135 0.000 0.745 278 L CB -0.638 41.515 42.059 0.157 0.000 0.894 278 L HN 0.042 nan 8.230 nan 0.000 0.432 279 K N -0.108 120.342 120.400 0.083 0.000 2.211 279 K HA 0.032 4.352 4.320 0.001 0.000 0.203 279 K C 2.056 178.736 176.600 0.134 0.000 1.050 279 K CA 1.123 57.468 56.287 0.097 0.000 0.945 279 K CB -0.550 31.992 32.500 0.070 0.000 0.732 279 K HN 0.500 nan 8.250 nan 0.000 0.451 280 A N 1.182 124.058 122.820 0.093 0.000 1.930 280 A HA -0.181 4.140 4.320 0.001 0.000 0.217 280 A C 2.116 179.803 177.584 0.172 0.000 1.175 280 A CA 1.196 53.281 52.037 0.079 0.000 0.627 280 A CB -0.319 18.692 19.000 0.019 0.000 0.815 280 A HN 0.372 nan 8.150 nan 0.000 0.443 281 Q N -0.583 119.304 119.800 0.146 0.000 2.084 281 Q HA -0.153 4.187 4.340 0.001 0.000 0.202 281 Q C 2.330 178.430 176.000 0.166 0.000 0.978 281 Q CA 1.463 57.359 55.803 0.156 0.000 0.844 281 Q CB -0.178 28.636 28.738 0.127 0.000 0.898 281 Q HN 0.626 nan 8.270 nan 0.000 0.426 282 R N -0.375 120.221 120.500 0.159 0.000 2.073 282 R HA -0.169 4.172 4.340 0.001 0.000 0.234 282 R C 1.885 178.290 176.300 0.174 0.000 1.134 282 R CA 1.483 57.663 56.100 0.133 0.000 0.952 282 R CB -0.412 29.957 30.300 0.115 0.000 0.850 282 R HN 0.352 nan 8.270 nan 0.000 0.433 283 W N 1.542 122.853 121.300 0.018 0.000 2.318 283 W HA -0.197 4.463 4.660 0.001 0.000 0.313 283 W C 1.630 178.150 176.519 0.002 0.000 1.221 283 W CA 1.438 58.789 57.345 0.009 0.000 1.266 283 W CB -0.172 29.306 29.460 0.030 0.000 1.150 283 W HN -0.006 nan 8.180 nan 0.000 0.496 284 L N -0.339 121.173 121.223 0.481 0.000 2.275 284 L HA -0.176 4.165 4.340 0.001 0.000 0.215 284 L C 2.278 179.181 176.870 0.055 0.000 1.119 284 L CA 1.339 56.392 54.840 0.355 0.000 0.790 284 L CB -0.983 41.303 42.059 0.379 0.000 0.919 284 L HN -0.074 nan 8.230 nan 0.000 0.443 285 T N -0.114 114.457 114.554 0.028 0.000 2.821 285 T HA -0.105 4.246 4.350 0.001 0.000 0.267 285 T C 1.835 176.425 174.700 -0.184 0.000 1.046 285 T CA 0.977 63.034 62.100 -0.071 0.000 1.139 285 T CB -0.030 68.826 68.868 -0.020 0.000 0.871 285 T HN 0.054 nan 8.240 nan 0.000 0.454 286 L N 1.068 122.180 121.223 -0.185 0.000 2.109 286 L HA 0.182 4.522 4.340 0.001 0.000 0.207 286 L C 2.741 179.396 176.870 -0.358 0.000 1.086 286 L CA 1.211 55.891 54.840 -0.266 0.000 0.760 286 L CB -1.084 40.792 42.059 -0.306 0.000 0.910 286 L HN 0.200 nan 8.230 nan 0.000 0.437 287 A N -0.446 122.149 122.820 -0.376 0.000 1.902 287 A HA -0.255 4.066 4.320 0.001 0.000 0.217 287 A C 2.511 179.680 177.584 -0.692 0.000 1.181 287 A CA 1.866 53.683 52.037 -0.367 0.000 0.623 287 A CB -0.570 18.404 19.000 -0.042 0.000 0.818 287 A HN 0.396 nan 8.150 nan 0.000 0.443 288 R N -0.648 119.194 120.500 -1.095 0.000 2.070 288 R HA -0.149 4.192 4.340 0.001 0.000 0.233 288 R C 2.064 177.849 176.300 -0.858 0.000 1.137 288 R CA 1.852 56.940 56.100 -1.686 0.000 0.945 288 R CB -0.527 29.155 30.300 -1.031 0.000 0.845 288 R HN 0.410 nan 8.270 nan 0.000 0.430 289 L N 1.001 121.930 121.223 -0.489 0.000 2.079 289 L HA -0.081 4.260 4.340 0.001 0.000 0.210 289 L C 2.140 178.865 176.870 -0.242 0.000 1.081 289 L CA 2.232 56.898 54.840 -0.290 0.000 0.752 289 L CB -0.686 41.245 42.059 -0.212 0.000 0.896 289 L HN 0.312 nan 8.230 nan 0.000 0.433 290 A N -0.811 121.848 122.820 -0.269 0.000 2.167 290 A HA -0.038 4.283 4.320 0.001 0.000 0.214 290 A C 1.224 178.741 177.584 -0.111 0.000 1.151 290 A CA 0.747 52.676 52.037 -0.181 0.000 0.735 290 A CB -0.727 18.155 19.000 -0.197 0.000 0.802 290 A HN 0.716 nan 8.150 nan 0.000 0.467 291 N N -1.437 117.179 118.700 -0.140 0.000 2.740 291 N HA -0.143 4.598 4.740 0.001 0.000 0.248 291 N C -0.722 174.955 175.510 0.279 0.000 1.062 291 N CA 0.754 53.886 53.050 0.136 0.000 0.704 291 N CB -1.833 36.729 38.487 0.126 0.000 0.968 291 N HN 0.487 nan 8.380 nan 0.000 0.547 292 L N 0.088 121.460 121.223 0.249 0.000 2.334 292 L HA 0.662 5.002 4.340 0.001 0.000 0.273 292 L C -1.754 175.173 176.870 0.095 0.000 1.013 292 L CA -1.963 52.930 54.840 0.089 0.000 0.816 292 L CB 1.750 43.748 42.059 -0.101 0.000 1.278 292 L HN 0.006 nan 8.230 nan 0.000 0.431 293 P HA 0.154 nan 4.420 nan 0.000 0.274 293 P C -1.149 175.765 177.300 -0.643 0.000 1.237 293 P CA -0.214 62.158 63.100 -1.212 0.000 0.793 293 P CB 1.625 32.766 31.700 -0.931 0.000 0.977 294 V N 3.386 122.887 119.914 -0.688 0.000 2.623 294 V HA 0.389 4.510 4.120 0.001 0.000 0.304 294 V C 0.185 176.319 176.094 0.067 0.000 1.054 294 V CA -0.488 61.808 62.300 -0.007 0.000 0.882 294 V CB 1.830 33.864 31.823 0.352 0.000 1.002 294 V HN 0.395 nan 8.190 nan 0.000 0.424 295 I N 3.953 124.592 120.570 0.116 0.000 2.382 295 I HA 0.372 4.543 4.170 0.001 0.000 0.286 295 I C -0.119 176.085 176.117 0.144 0.000 1.002 295 I CA -0.307 61.083 61.300 0.150 0.000 1.135 295 I CB 1.594 39.665 38.000 0.118 0.000 1.288 295 I HN 0.658 nan 8.210 nan 0.000 0.448 296 C N 6.350 125.732 119.300 0.136 0.000 2.415 296 C HA 0.726 5.187 4.460 0.001 0.000 0.369 296 C C 1.104 176.159 174.990 0.107 0.000 1.279 296 C CA -0.042 59.023 59.018 0.079 0.000 1.886 296 C CB -0.532 27.239 27.740 0.051 0.000 2.468 296 C HN 0.980 nan 8.230 nan 0.000 0.553 297 G N 3.332 112.176 108.800 0.073 0.000 2.773 297 G HA2 0.719 4.679 3.960 0.001 0.000 0.186 297 G HA3 0.719 4.679 3.960 0.001 0.000 0.186 297 G C -0.359 174.567 174.900 0.043 0.000 1.411 297 G CA 0.278 45.421 45.100 0.072 0.000 1.054 297 G HN 1.518 nan 8.290 nan 0.000 0.579 298 C N -2.945 116.356 119.300 0.003 0.000 3.312 298 C HA 0.695 5.156 4.460 0.001 0.000 0.332 298 C C -0.706 174.249 174.990 -0.058 0.000 1.340 298 C CA -1.151 57.869 59.018 0.003 0.000 1.265 298 C CB 0.993 28.765 27.740 0.053 0.000 1.563 298 C HN 0.497 nan 8.230 nan 0.000 0.471 299 M N 2.976 122.558 119.600 -0.030 0.000 2.289 299 M HA 0.265 4.746 4.480 0.001 0.000 0.354 299 M C 0.162 176.442 176.300 -0.033 0.000 1.210 299 M CA -0.346 54.917 55.300 -0.062 0.000 1.174 299 M CB 0.581 33.177 32.600 -0.007 0.000 1.297 299 M HN 0.703 nan 8.290 nan 0.000 0.423 300 V N 3.473 123.352 119.914 -0.058 0.000 3.084 300 V HA 0.005 4.126 4.120 0.001 0.000 0.286 300 V C 1.107 177.197 176.094 -0.007 0.000 1.236 300 V CA 0.984 63.269 62.300 -0.026 0.000 1.329 300 V CB -1.428 30.348 31.823 -0.079 0.000 0.795 300 V HN 1.013 nan 8.190 nan 0.000 0.435 301 G N 3.454 112.264 108.800 0.017 0.000 2.619 301 G HA2 0.643 4.604 3.960 0.001 0.000 0.305 301 G HA3 0.643 4.604 3.960 0.001 0.000 0.305 301 G C -0.329 174.588 174.900 0.028 0.000 1.330 301 G CA -0.041 45.069 45.100 0.016 0.000 0.789 301 G HN 0.963 nan 8.290 nan 0.000 0.487 302 S N -1.097 114.629 115.700 0.044 0.000 2.634 302 S HA 0.423 4.894 4.470 0.001 0.000 0.254 302 S C 1.884 176.546 174.600 0.103 0.000 1.299 302 S CA 0.805 59.053 58.200 0.081 0.000 0.974 302 S CB 0.627 63.876 63.200 0.082 0.000 1.001 302 S HN 1.723 nan 8.310 nan 0.000 0.584 303 G N -0.404 108.473 108.800 0.129 0.000 2.448 303 G HA2 -0.110 3.850 3.960 0.001 0.000 0.219 303 G HA3 -0.110 3.850 3.960 0.001 0.000 0.219 303 G C 1.196 176.156 174.900 0.100 0.000 1.127 303 G CA 0.802 45.990 45.100 0.147 0.000 0.766 303 G HN 0.604 nan 8.290 nan 0.000 0.552 304 L N 0.530 121.797 121.223 0.073 0.000 2.072 304 L HA 0.090 4.430 4.340 0.001 0.000 0.205 304 L C 2.464 179.340 176.870 0.010 0.000 1.079 304 L CA 1.987 56.854 54.840 0.044 0.000 0.752 304 L CB -0.380 41.707 42.059 0.046 0.000 0.906 304 L HN 0.224 nan 8.230 nan 0.000 0.436 305 E N 0.033 120.249 120.200 0.026 0.000 2.110 305 E HA -0.183 4.168 4.350 0.001 0.000 0.193 305 E C 1.920 178.498 176.600 -0.038 0.000 0.988 305 E CA 1.241 57.639 56.400 -0.002 0.000 0.804 305 E CB 0.041 29.764 29.700 0.038 0.000 0.745 305 E HN 0.570 nan 8.360 nan 0.000 0.458 306 A N 0.222 123.063 122.820 0.034 0.000 2.067 306 A HA -0.021 4.299 4.320 0.001 0.000 0.217 306 A C 2.406 179.992 177.584 0.002 0.000 1.156 306 A CA 1.135 53.212 52.037 0.067 0.000 0.683 306 A CB -0.245 18.893 19.000 0.231 0.000 0.808 306 A HN 0.237 nan 8.150 nan 0.000 0.455 307 S N 0.764 116.458 115.700 -0.010 0.000 2.359 307 S HA -0.098 4.373 4.470 0.001 0.000 0.224 307 S C -0.303 174.308 174.600 0.018 0.000 1.035 307 S CA 1.839 60.048 58.200 0.015 0.000 1.018 307 S CB -1.134 62.105 63.200 0.065 0.000 0.876 307 S HN 0.459 nan 8.310 nan 0.000 0.448 308 P HA -0.057 nan 4.420 nan 0.000 0.215 308 P C 1.493 178.707 177.300 -0.144 0.000 1.157 308 P CA 1.533 64.455 63.100 -0.297 0.000 0.868 308 P CB -0.131 30.961 31.700 -1.014 0.000 0.788 309 A N -0.180 122.540 122.820 -0.167 0.000 1.933 309 A HA -0.117 4.204 4.320 0.001 0.000 0.218 309 A C 2.308 179.877 177.584 -0.025 0.000 1.175 309 A CA 2.050 54.048 52.037 -0.065 0.000 0.628 309 A CB -1.618 17.356 19.000 -0.044 0.000 0.814 309 A HN 0.188 nan 8.150 nan 0.000 0.444 310 A N -1.068 121.725 122.820 -0.045 0.000 1.902 310 A HA -0.213 4.108 4.320 0.001 0.000 0.217 310 A C 2.080 179.608 177.584 -0.093 0.000 1.181 310 A CA 1.617 53.594 52.037 -0.101 0.000 0.623 310 A CB -0.936 17.962 19.000 -0.169 0.000 0.818 310 A HN 0.673 nan 8.150 nan 0.000 0.443 311 H N -1.344 117.736 119.070 0.016 0.000 2.357 311 H HA -0.089 4.468 4.556 0.001 0.000 0.301 311 H C 2.117 177.488 175.328 0.072 0.000 1.082 311 H CA 1.804 57.910 56.048 0.097 0.000 1.342 311 H CB -0.249 29.555 29.762 0.069 0.000 1.389 311 H HN 0.433 nan 8.280 nan 0.000 0.511 312 L N 1.071 122.374 121.223 0.132 0.000 2.027 312 L HA -0.108 4.232 4.340 0.001 0.000 0.206 312 L C 2.262 179.173 176.870 0.069 0.000 1.074 312 L CA 1.233 56.126 54.840 0.089 0.000 0.745 312 L CB -0.693 41.397 42.059 0.051 0.000 0.898 312 L HN 0.119 nan 8.230 nan 0.000 0.433 313 L N -0.650 120.595 121.223 0.036 0.000 2.201 313 L HA -0.110 4.231 4.340 0.001 0.000 0.212 313 L C 2.469 179.329 176.870 -0.018 0.000 1.105 313 L CA 0.957 55.808 54.840 0.018 0.000 0.775 313 L CB -0.985 41.075 42.059 0.001 0.000 0.913 313 L HN 0.384 nan 8.230 nan 0.000 0.440 314 A N -0.385 122.413 122.820 -0.036 0.000 2.030 314 A HA 0.242 4.563 4.320 0.001 0.000 0.215 314 A C 2.394 179.942 177.584 -0.060 0.000 1.164 314 A CA 1.081 53.062 52.037 -0.093 0.000 0.697 314 A CB -0.150 18.746 19.000 -0.174 0.000 0.827 314 A HN 0.335 nan 8.150 nan 0.000 0.457 315 A N -0.206 122.630 122.820 0.026 0.000 1.901 315 A HA 0.101 4.422 4.320 0.001 0.000 0.210 315 A C 1.180 178.807 177.584 0.071 0.000 1.208 315 A CA 0.213 52.289 52.037 0.065 0.000 0.644 315 A CB -0.410 18.681 19.000 0.153 0.000 0.863 315 A HN 0.441 nan 8.150 nan 0.000 0.454 316 N N 1.053 119.809 118.700 0.093 0.000 2.434 316 N HA -0.076 4.664 4.740 0.001 0.000 0.268 316 N C 0.135 175.712 175.510 0.112 0.000 1.256 316 N CA 0.511 53.636 53.050 0.126 0.000 0.914 316 N CB 0.798 39.384 38.487 0.165 0.000 1.088 316 N HN 0.358 nan 8.380 nan 0.000 0.478 317 D N 4.461 124.934 120.400 0.122 0.000 2.149 317 D HA -0.187 4.454 4.640 0.001 0.000 0.198 317 D C 1.586 177.950 176.300 0.108 0.000 0.990 317 D CA 1.292 55.347 54.000 0.091 0.000 0.839 317 D CB -0.022 40.845 40.800 0.111 0.000 0.948 317 D HN 0.686 nan 8.370 nan 0.000 0.460 318 W N 0.616 121.948 121.300 0.054 0.000 2.378 318 W HA -0.089 4.572 4.660 0.001 0.000 0.313 318 W C 2.031 178.630 176.519 0.134 0.000 1.197 318 W CA 0.537 57.940 57.345 0.098 0.000 1.304 318 W CB -0.553 29.005 29.460 0.163 0.000 1.148 318 W HN 0.003 nan 8.180 nan 0.000 0.494 319 I N 1.498 122.197 120.570 0.215 0.000 2.830 319 I HA -0.181 3.990 4.170 0.001 0.000 0.263 319 I C 2.241 178.351 176.117 -0.011 0.000 1.230 319 I CA 1.184 62.602 61.300 0.196 0.000 1.480 319 I CB -0.389 37.768 38.000 0.261 0.000 1.095 319 I HN -0.053 nan 8.210 nan 0.000 0.455 320 A N -0.304 122.452 122.820 -0.108 0.000 2.248 320 A HA -0.152 4.169 4.320 0.001 0.000 0.210 320 A C 1.978 179.363 177.584 -0.332 0.000 1.174 320 A CA 0.849 52.788 52.037 -0.164 0.000 0.750 320 A CB -0.400 18.527 19.000 -0.121 0.000 0.780 320 A HN 0.579 nan 8.150 nan 0.000 0.478 321 Q N -1.507 117.895 119.800 -0.665 0.000 2.398 321 Q HA 0.178 4.519 4.340 0.001 0.000 0.204 321 Q C -0.818 174.559 176.000 -1.037 0.000 0.932 321 Q CA 0.267 55.451 55.803 -1.032 0.000 0.916 321 Q CB 0.303 28.011 28.738 -1.716 0.000 1.024 321 Q HN 0.705 nan 8.270 nan 0.000 0.504 322 F N 0.567 120.428 119.950 -0.149 0.000 2.561 322 F HA 0.448 4.976 4.527 0.001 0.000 0.321 322 F C -2.207 173.576 175.800 -0.027 0.000 1.065 322 F CA -3.382 54.571 58.000 -0.078 0.000 0.934 322 F CB 0.612 39.578 39.000 -0.057 0.000 1.215 322 F HN -0.214 nan 8.300 nan 0.000 0.471 323 P HA 0.099 nan 4.420 nan 0.000 0.269 323 P C -1.112 176.373 177.300 0.308 0.000 1.215 323 P CA -0.111 63.093 63.100 0.173 0.000 0.780 323 P CB 1.113 32.991 31.700 0.297 0.000 0.898 324 Q N 0.664 120.606 119.800 0.238 0.000 2.572 324 Q HA 0.340 4.681 4.340 0.001 0.000 0.284 324 Q C -0.034 176.152 176.000 0.310 0.000 1.091 324 Q CA -0.525 55.436 55.803 0.263 0.000 0.840 324 Q CB 1.533 30.355 28.738 0.141 0.000 1.433 324 Q HN 0.556 nan 8.270 nan 0.000 0.471 325 E N 0.888 121.261 120.200 0.288 0.000 3.105 325 E HA 0.074 4.425 4.350 0.001 0.000 0.198 325 E C -0.705 176.017 176.600 0.205 0.000 0.976 325 E CA -0.064 56.499 56.400 0.272 0.000 1.219 325 E CB 0.277 30.200 29.700 0.371 0.000 1.081 325 E HN 0.448 nan 8.360 nan 0.000 0.464 326 N N 0.751 119.565 118.700 0.191 0.000 2.868 326 N HA 0.193 4.933 4.740 0.001 0.000 0.252 326 N C -0.599 175.090 175.510 0.299 0.000 1.130 326 N CA 0.120 53.282 53.050 0.187 0.000 1.026 326 N CB 0.768 39.334 38.487 0.131 0.000 1.335 326 N HN 0.141 nan 8.380 nan 0.000 0.516 327 A N 1.687 124.639 122.820 0.221 0.000 2.795 327 A HA 0.427 4.748 4.320 0.001 0.000 0.282 327 A C 1.516 179.013 177.584 -0.147 0.000 0.964 327 A CA -0.236 51.826 52.037 0.041 0.000 1.045 327 A CB -0.280 18.656 19.000 -0.107 0.000 1.174 327 A HN 0.557 nan 8.150 nan 0.000 0.493 328 G N 1.638 110.481 108.800 0.071 0.000 2.513 328 G HA2 -0.202 3.759 3.960 0.001 0.000 0.219 328 G HA3 -0.202 3.759 3.960 0.001 0.000 0.219 328 G C -0.326 174.549 174.900 -0.041 0.000 1.160 328 G CA 1.666 46.829 45.100 0.106 0.000 0.767 328 G HN 0.483 nan 8.290 nan 0.000 0.571 329 P HA -0.032 nan 4.420 nan 0.000 0.218 329 P C 1.954 179.149 177.300 -0.175 0.000 1.148 329 P CA 0.670 63.713 63.100 -0.095 0.000 0.822 329 P CB -0.091 31.567 31.700 -0.071 0.000 0.784 330 L N -2.226 118.719 121.223 -0.464 0.000 2.156 330 L HA -0.158 4.183 4.340 0.001 0.000 0.208 330 L C 2.287 178.952 176.870 -0.342 0.000 1.095 330 L CA 1.465 56.041 54.840 -0.440 0.000 0.770 330 L CB -0.965 40.726 42.059 -0.615 0.000 0.914 330 L HN 0.162 nan 8.230 nan 0.000 0.439 331 H N -0.453 118.509 119.070 -0.180 0.000 2.343 331 H HA -0.036 4.521 4.556 0.001 0.000 0.303 331 H C 2.369 177.603 175.328 -0.157 0.000 1.068 331 H CA 1.130 57.086 56.048 -0.153 0.000 1.359 331 H CB 0.158 29.837 29.762 -0.138 0.000 1.402 331 H HN 0.139 nan 8.280 nan 0.000 0.515 332 I N 0.525 121.041 120.570 -0.090 0.000 2.163 332 I HA -0.280 3.891 4.170 0.001 0.000 0.243 332 I C 1.511 177.417 176.117 -0.351 0.000 1.085 332 I CA 1.385 62.528 61.300 -0.261 0.000 1.347 332 I CB -0.203 37.540 38.000 -0.430 0.000 1.044 332 I HN 0.489 nan 8.210 nan 0.000 0.408 333 H N 0.075 119.113 119.070 -0.055 0.000 2.526 333 H HA 0.035 4.592 4.556 0.001 0.000 0.274 333 H C -0.034 175.259 175.328 -0.058 0.000 0.999 333 H CA 0.275 56.292 56.048 -0.053 0.000 1.157 333 H CB -0.393 29.333 29.762 -0.060 0.000 1.407 333 H HN 0.263 nan 8.280 nan 0.000 0.568 334 D N 1.089 121.485 120.400 -0.007 0.000 2.803 334 D HA -0.179 4.461 4.640 0.001 0.000 0.233 334 D C -0.360 175.924 176.300 -0.026 0.000 1.182 334 D CA 0.699 54.683 54.000 -0.026 0.000 0.726 334 D CB -1.283 39.507 40.800 -0.016 0.000 0.987 334 D HN 0.539 nan 8.370 nan 0.000 0.412 335 C N -1.633 117.634 119.300 -0.055 0.000 3.332 335 C HA 0.703 5.164 4.460 0.001 0.000 0.329 335 C C 1.384 176.327 174.990 -0.077 0.000 1.434 335 C CA -1.089 57.903 59.018 -0.044 0.000 1.314 335 C CB 0.961 28.693 27.740 -0.014 0.000 1.664 335 C HN 0.227 nan 8.230 nan 0.000 0.457 336 L N 1.238 122.455 121.223 -0.010 0.000 2.664 336 L HA 0.285 4.626 4.340 0.001 0.000 0.233 336 L C 0.011 177.006 176.870 0.208 0.000 1.113 336 L CA 0.412 55.300 54.840 0.079 0.000 0.896 336 L CB -0.462 41.683 42.059 0.144 0.000 1.163 336 L HN 0.926 nan 8.230 nan 0.000 0.497 337 N N -3.210 115.556 118.700 0.110 0.000 2.396 337 N HA 0.096 4.837 4.740 0.001 0.000 0.275 337 N C 0.357 175.920 175.510 0.088 0.000 1.218 337 N CA -0.258 52.878 53.050 0.143 0.000 0.812 337 N CB 0.965 39.525 38.487 0.121 0.000 1.592 337 N HN -0.119 nan 8.380 nan 0.000 0.480 338 S N 0.377 116.169 115.700 0.153 0.000 2.481 338 S HA -0.185 4.285 4.470 0.001 0.000 0.231 338 S C 1.419 176.046 174.600 0.044 0.000 0.996 338 S CA 0.614 58.880 58.200 0.110 0.000 0.942 338 S CB -0.552 62.801 63.200 0.254 0.000 0.768 338 S HN 0.757 nan 8.310 nan 0.000 0.520 339 R N 1.353 121.878 120.500 0.041 0.000 2.241 339 R HA 0.042 4.383 4.340 0.001 0.000 0.224 339 R C 0.359 176.653 176.300 -0.010 0.000 1.101 339 R CA 1.435 57.541 56.100 0.010 0.000 0.995 339 R CB -0.649 29.656 30.300 0.008 0.000 0.870 339 R HN 0.258 nan 8.270 nan 0.000 0.463 340 D N 0.806 121.200 120.400 -0.011 0.000 2.336 340 D HA 0.215 4.855 4.640 0.001 0.000 0.228 340 D C -0.080 176.179 176.300 -0.069 0.000 1.120 340 D CA 0.281 54.265 54.000 -0.027 0.000 0.839 340 D CB 0.226 41.020 40.800 -0.010 0.000 0.932 340 D HN 0.293 nan 8.370 nan 0.000 0.509 341 I N 1.154 121.657 120.570 -0.111 0.000 2.465 341 I HA 0.175 4.346 4.170 0.001 0.000 0.291 341 I C 0.220 176.221 176.117 -0.194 0.000 1.014 341 I CA -0.474 60.674 61.300 -0.253 0.000 1.093 341 I CB 2.045 39.826 38.000 -0.365 0.000 1.267 341 I HN -0.232 nan 8.210 nan 0.000 0.431 342 D N 3.447 123.727 120.400 -0.199 0.000 2.480 342 D HA -0.029 4.612 4.640 0.001 0.000 0.276 342 D C -0.047 176.203 176.300 -0.085 0.000 1.294 342 D CA -0.007 53.928 54.000 -0.109 0.000 0.829 342 D CB 0.063 40.825 40.800 -0.062 0.000 1.242 342 D HN 0.540 nan 8.370 nan 0.000 0.513 343 N N 0.636 119.265 118.700 -0.118 0.000 2.610 343 N HA 0.110 4.851 4.740 0.001 0.000 0.307 343 N C -1.347 174.201 175.510 0.063 0.000 1.813 343 N CA -0.199 52.843 53.050 -0.014 0.000 0.901 343 N CB 0.860 39.367 38.487 0.034 0.000 1.354 343 N HN -0.000 nan 8.380 nan 0.000 0.491 344 D N 0.184 120.590 120.400 0.011 0.000 2.268 344 D HA 0.203 4.844 4.640 0.001 0.000 0.249 344 D C 1.939 178.291 176.300 0.086 0.000 1.008 344 D CA -0.714 53.364 54.000 0.130 0.000 0.939 344 D CB 1.489 42.351 40.800 0.103 0.000 1.170 344 D HN 0.267 nan 8.370 nan 0.000 0.468 345 I N -0.316 120.311 120.570 0.095 0.000 2.700 345 I HA 0.115 4.286 4.170 0.001 0.000 0.261 345 I C 0.652 176.801 176.117 0.054 0.000 1.219 345 I CA 0.240 61.579 61.300 0.064 0.000 1.463 345 I CB -0.347 37.689 38.000 0.059 0.000 1.092 345 I HN 0.144 nan 8.210 nan 0.000 0.452 346 A N 1.400 124.258 122.820 0.062 0.000 2.269 346 A HA 0.533 4.854 4.320 0.001 0.000 0.302 346 A C 0.979 178.585 177.584 0.036 0.000 1.266 346 A CA -0.560 51.508 52.037 0.052 0.000 0.894 346 A CB 0.607 19.647 19.000 0.067 0.000 1.147 346 A HN 0.411 nan 8.150 nan 0.000 0.537 347 L N 1.652 122.891 121.223 0.027 0.000 2.083 347 L HA -0.102 4.238 4.340 0.001 0.000 0.209 347 L C 0.852 177.730 176.870 0.014 0.000 1.083 347 L CA 1.042 55.892 54.840 0.016 0.000 0.752 347 L CB -0.262 41.805 42.059 0.014 0.000 0.899 347 L HN 0.899 nan 8.230 nan 0.000 0.433 348 N N -0.462 118.252 118.700 0.024 0.000 2.976 348 N HA 0.165 4.905 4.740 0.001 0.000 0.255 348 N C -0.756 174.781 175.510 0.045 0.000 1.312 348 N CA -0.358 52.707 53.050 0.026 0.000 0.897 348 N CB 0.436 38.937 38.487 0.022 0.000 1.184 348 N HN -0.214 nan 8.380 nan 0.000 0.497 349 V N 1.901 121.848 119.914 0.056 0.000 2.673 349 V HA 0.109 4.230 4.120 0.001 0.000 0.303 349 V C -1.663 174.503 176.094 0.120 0.000 1.046 349 V CA -0.706 61.657 62.300 0.104 0.000 1.126 349 V CB 0.042 31.933 31.823 0.114 0.000 0.934 349 V HN 0.442 nan 8.190 nan 0.000 0.487 350 P HA 0.089 nan 4.420 nan 0.000 0.267 350 P C -0.214 177.116 177.300 0.050 0.000 1.200 350 P CA -0.240 62.882 63.100 0.037 0.000 0.772 350 P CB 0.345 32.016 31.700 -0.049 0.000 0.855 351 R N 2.848 123.345 120.500 -0.006 0.000 2.404 351 R HA 0.179 4.520 4.340 0.001 0.000 0.315 351 R C -0.998 175.327 176.300 0.042 0.000 1.032 351 R CA 0.309 56.436 56.100 0.046 0.000 0.992 351 R CB -0.564 29.699 30.300 -0.062 0.000 0.959 351 R HN 0.330 nan 8.270 nan 0.000 0.428 352 F N 3.551 123.585 119.950 0.139 0.000 2.382 352 F HA 0.333 4.861 4.527 0.001 0.000 0.361 352 F C 0.003 175.878 175.800 0.125 0.000 1.109 352 F CA -0.390 57.697 58.000 0.146 0.000 1.031 352 F CB 1.564 40.634 39.000 0.116 0.000 1.234 352 F HN 0.507 nan 8.300 nan 0.000 0.445 353 E N 1.267 121.644 120.200 0.295 0.000 2.321 353 E HA 0.467 4.818 4.350 0.001 0.000 0.278 353 E C 0.341 177.037 176.600 0.160 0.000 0.902 353 E CA -0.430 56.085 56.400 0.193 0.000 0.758 353 E CB 1.919 31.704 29.700 0.142 0.000 1.213 353 E HN 0.738 nan 8.360 nan 0.000 0.426 354 G N 2.381 111.207 108.800 0.044 0.000 2.258 354 G HA2 -0.261 3.700 3.960 0.001 0.000 0.274 354 G HA3 -0.261 3.700 3.960 0.001 0.000 0.274 354 G C 0.876 175.681 174.900 -0.159 0.000 1.021 354 G CA 0.799 45.902 45.100 0.004 0.000 0.798 354 G HN 1.486 nan 8.290 nan 0.000 0.507 355 G N -2.851 105.596 108.800 -0.588 0.000 2.143 355 G HA2 -0.218 3.743 3.960 0.001 0.000 0.249 355 G HA3 -0.218 3.743 3.960 0.001 0.000 0.249 355 G C 0.133 174.644 174.900 -0.648 0.000 0.981 355 G CA 0.822 45.219 45.100 -1.172 0.000 0.665 355 G HN 1.355 nan 8.290 nan 0.000 0.528 356 Y N -1.524 118.630 120.300 -0.243 0.000 2.485 356 Y HA 0.703 5.253 4.550 0.001 0.000 0.345 356 Y C 0.092 175.833 175.900 -0.265 0.000 0.998 356 Y CA -1.281 56.670 58.100 -0.249 0.000 1.059 356 Y CB 1.935 40.179 38.460 -0.359 0.000 1.234 356 Y HN 0.249 nan 8.280 nan 0.000 0.461 357 L N 3.049 124.130 121.223 -0.236 0.000 2.307 357 L HA 0.556 4.896 4.340 0.001 0.000 0.284 357 L C -1.984 174.614 176.870 -0.454 0.000 1.023 357 L CA -0.993 53.592 54.840 -0.425 0.000 0.810 357 L CB 0.428 42.211 42.059 -0.461 0.000 1.231 357 L HN 0.488 nan 8.230 nan 0.000 0.423 358 Y N 6.048 126.169 120.300 -0.299 0.000 2.328 358 Y HA 0.545 5.095 4.550 0.001 0.000 0.337 358 Y C -2.048 173.713 175.900 -0.232 0.000 0.966 358 Y CA -2.102 55.870 58.100 -0.214 0.000 1.136 358 Y CB 1.253 39.618 38.460 -0.158 0.000 1.170 358 Y HN 0.546 nan 8.280 nan 0.000 0.470 359 P HA 0.028 nan 4.420 nan 0.000 0.275 359 P C -0.739 176.528 177.300 -0.054 0.000 1.228 359 P CA -0.158 62.833 63.100 -0.183 0.000 0.786 359 P CB 1.068 32.601 31.700 -0.279 0.000 0.927 360 N N 1.046 119.712 118.700 -0.057 0.000 2.415 360 N HA 0.015 4.755 4.740 0.001 0.000 0.248 360 N C 0.492 176.095 175.510 0.155 0.000 1.271 360 N CA -0.213 52.867 53.050 0.050 0.000 0.913 360 N CB 0.418 38.944 38.487 0.065 0.000 1.129 360 N HN 0.426 nan 8.380 nan 0.000 0.444 361 D N 0.107 120.595 120.400 0.146 0.000 2.395 361 D HA 0.097 4.737 4.640 0.001 0.000 0.213 361 D C 0.808 177.161 176.300 0.089 0.000 1.110 361 D CA 0.003 54.114 54.000 0.186 0.000 0.835 361 D CB 0.312 41.217 40.800 0.174 0.000 0.965 361 D HN 0.521 nan 8.370 nan 0.000 0.505 362 G N 1.586 110.425 108.800 0.066 0.000 2.580 362 G HA2 0.349 4.309 3.960 0.001 0.000 0.278 362 G HA3 0.349 4.309 3.960 0.001 0.000 0.278 362 G C -2.577 172.317 174.900 -0.011 0.000 1.212 362 G CA -0.898 44.218 45.100 0.027 0.000 0.939 362 G HN -0.125 nan 8.290 nan 0.000 0.513 363 P HA 0.270 nan 4.420 nan 0.000 0.269 363 P C 0.993 178.244 177.300 -0.081 0.000 1.209 363 P CA 1.368 64.435 63.100 -0.055 0.000 0.776 363 P CB 0.729 32.411 31.700 -0.031 0.000 0.876 364 G N 1.650 110.369 108.800 -0.135 0.000 2.566 364 G HA2 -0.317 3.644 3.960 0.001 0.000 0.280 364 G HA3 -0.317 3.644 3.960 0.001 0.000 0.280 364 G C 0.760 175.521 174.900 -0.231 0.000 1.225 364 G CA 0.135 45.136 45.100 -0.164 0.000 0.966 364 G HN 0.489 nan 8.290 nan 0.000 0.560 365 L N 2.136 123.268 121.223 -0.151 0.000 2.551 365 L HA 0.287 4.628 4.340 0.001 0.000 0.228 365 L C 2.401 179.347 176.870 0.128 0.000 1.153 365 L CA 1.146 55.938 54.840 -0.080 0.000 0.851 365 L CB -0.668 41.379 42.059 -0.019 0.000 0.959 365 L HN 2.058 nan 8.230 nan 0.000 0.451 366 G N 0.660 109.491 108.800 0.051 0.000 2.176 366 G HA2 -0.248 3.712 3.960 0.001 0.000 0.252 366 G HA3 -0.248 3.712 3.960 0.001 0.000 0.252 366 G C 0.067 175.003 174.900 0.060 0.000 1.024 366 G CA -0.118 45.025 45.100 0.072 0.000 0.755 366 G HN 0.179 nan 8.290 nan 0.000 0.507 367 I N 0.449 121.044 120.570 0.042 0.000 2.474 367 I HA 0.409 4.579 4.170 0.001 0.000 0.294 367 I C 0.030 176.161 176.117 0.023 0.000 1.005 367 I CA -0.893 60.430 61.300 0.038 0.000 1.113 367 I CB 1.678 39.703 38.000 0.042 0.000 1.289 367 I HN 0.144 nan 8.210 nan 0.000 0.436 368 E N 6.559 126.773 120.200 0.024 0.000 2.155 368 E HA 0.447 4.797 4.350 0.001 0.000 0.264 368 E C -0.767 175.845 176.600 0.021 0.000 0.886 368 E CA -0.717 55.693 56.400 0.017 0.000 0.752 368 E CB 2.582 32.290 29.700 0.015 0.000 1.133 368 E HN 0.419 nan 8.360 nan 0.000 0.414 369 L N 2.592 123.827 121.223 0.020 0.000 2.417 369 L HA 0.120 4.460 4.340 0.001 0.000 0.268 369 L C 0.800 177.684 176.870 0.024 0.000 1.158 369 L CA -0.366 54.488 54.840 0.025 0.000 0.819 369 L CB 0.360 42.433 42.059 0.024 0.000 1.112 369 L HN 0.422 nan 8.230 nan 0.000 0.458 370 N N 2.261 120.977 118.700 0.027 0.000 2.602 370 N HA 0.005 4.746 4.740 0.001 0.000 0.238 370 N C 0.752 176.278 175.510 0.027 0.000 1.084 370 N CA -0.118 52.947 53.050 0.025 0.000 0.952 370 N CB 0.696 39.198 38.487 0.026 0.000 1.244 370 N HN 0.494 nan 8.380 nan 0.000 0.512 371 E N 1.698 121.913 120.200 0.025 0.000 2.118 371 E HA -0.188 4.162 4.350 0.001 0.000 0.195 371 E C 0.452 177.068 176.600 0.026 0.000 0.992 371 E CA 1.187 57.604 56.400 0.027 0.000 0.804 371 E CB 0.215 29.931 29.700 0.027 0.000 0.741 371 E HN 0.621 nan 8.360 nan 0.000 0.458 372 D N 0.632 121.046 120.400 0.023 0.000 2.097 372 D HA -0.134 4.507 4.640 0.001 0.000 0.195 372 D C 2.090 178.404 176.300 0.023 0.000 0.989 372 D CA 0.547 54.560 54.000 0.021 0.000 0.827 372 D CB -0.285 40.526 40.800 0.018 0.000 0.966 372 D HN 0.105 nan 8.370 nan 0.000 0.456 373 L N 0.640 121.879 121.223 0.026 0.000 2.093 373 L HA -0.097 4.243 4.340 0.001 0.000 0.208 373 L C 2.182 179.070 176.870 0.031 0.000 1.085 373 L CA 1.135 55.992 54.840 0.029 0.000 0.755 373 L CB -0.409 41.671 42.059 0.035 0.000 0.904 373 L HN -0.151 nan 8.230 nan 0.000 0.435 374 V N 0.094 120.027 119.914 0.032 0.000 2.287 374 V HA -0.331 3.790 4.120 0.001 0.000 0.248 374 V C 2.759 178.871 176.094 0.030 0.000 1.053 374 V CA 2.245 64.565 62.300 0.033 0.000 1.027 374 V CB -0.687 31.157 31.823 0.035 0.000 0.646 374 V HN 0.467 nan 8.190 nan 0.000 0.447 375 R N -0.570 119.947 120.500 0.028 0.000 2.096 375 R HA -0.096 4.245 4.340 0.001 0.000 0.235 375 R C 2.514 178.827 176.300 0.022 0.000 1.127 375 R CA 1.222 57.337 56.100 0.025 0.000 0.968 375 R CB -0.294 30.020 30.300 0.023 0.000 0.861 375 R HN 0.469 nan 8.270 nan 0.000 0.440 376 R N 0.310 120.823 120.500 0.022 0.000 2.148 376 R HA -0.022 4.318 4.340 0.001 0.000 0.227 376 R C 1.779 178.091 176.300 0.020 0.000 1.103 376 R CA 0.857 56.969 56.100 0.020 0.000 0.983 376 R CB 0.002 30.314 30.300 0.021 0.000 0.874 376 R HN 0.243 nan 8.270 nan 0.000 0.451 377 L N 0.887 122.123 121.223 0.023 0.000 2.592 377 L HA 0.120 4.461 4.340 0.001 0.000 0.227 377 L C 0.284 177.166 176.870 0.020 0.000 1.127 377 L CA -0.284 54.568 54.840 0.021 0.000 0.884 377 L CB 0.430 42.504 42.059 0.024 0.000 1.065 377 L HN -0.128 nan 8.230 nan 0.000 0.457 378 V N 1.235 121.161 119.914 0.021 0.000 2.584 378 V HA -0.118 4.003 4.120 0.001 0.000 0.303 378 V C 0.884 176.989 176.094 0.017 0.000 1.035 378 V CA 0.481 62.793 62.300 0.021 0.000 1.172 378 V CB 0.389 32.224 31.823 0.021 0.000 0.896 378 V HN 0.297 nan 8.190 nan 0.000 0.486 379 T N 9.091 123.656 114.554 0.017 0.000 2.800 379 T HA 0.048 4.399 4.350 0.001 0.000 0.283 379 T C -2.103 172.605 174.700 0.013 0.000 0.999 379 T CA -0.330 61.778 62.100 0.014 0.000 1.176 379 T CB 0.103 68.980 68.868 0.015 0.000 0.973 379 T HN 0.543 nan 8.240 nan 0.000 0.519 380 P HA 0.170 nan 4.420 nan 0.000 0.264 380 P C 1.093 178.399 177.300 0.010 0.000 1.183 380 P CA 0.860 63.966 63.100 0.010 0.000 0.763 380 P CB 0.241 31.947 31.700 0.009 0.000 0.807 381 G N 1.558 110.364 108.800 0.010 0.000 2.179 381 G HA2 -0.247 3.714 3.960 0.001 0.000 0.260 381 G HA3 -0.247 3.714 3.960 0.001 0.000 0.260 381 G C 0.164 175.069 174.900 0.010 0.000 0.977 381 G CA 0.069 45.174 45.100 0.009 0.000 0.641 381 G HN 0.546 nan 8.290 nan 0.000 0.533 382 K N -0.145 120.262 120.400 0.011 0.000 2.313 382 K HA 0.874 5.195 4.320 0.001 0.000 0.235 382 K C -0.256 176.352 176.600 0.013 0.000 1.035 382 K CA -0.216 56.079 56.287 0.012 0.000 0.868 382 K CB 2.222 34.730 32.500 0.014 0.000 1.232 382 K HN 0.815 nan 8.250 nan 0.000 0.459 383 A N 0.333 123.162 122.820 0.014 0.000 2.594 383 A HA 0.682 5.003 4.320 0.001 0.000 0.295 383 A C -1.337 176.258 177.584 0.018 0.000 1.071 383 A CA -0.735 51.311 52.037 0.015 0.000 0.685 383 A CB 1.417 20.424 19.000 0.012 0.000 1.285 383 A HN 0.703 nan 8.150 nan 0.000 0.405 384 A N 0.885 123.718 122.820 0.022 0.000 2.483 384 A HA 0.573 4.893 4.320 0.001 0.000 0.238 384 A C 0.530 178.128 177.584 0.023 0.000 1.070 384 A CA 0.309 52.362 52.037 0.027 0.000 0.770 384 A CB 0.110 19.130 19.000 0.033 0.000 1.008 384 A HN 0.930 nan 8.150 nan 0.000 0.497 385 R N 0.972 121.488 120.500 0.027 0.000 2.637 385 R HA 0.655 4.996 4.340 0.001 0.000 0.291 385 R C -1.758 174.556 176.300 0.024 0.000 0.963 385 R CA -0.440 55.672 56.100 0.019 0.000 0.901 385 R CB 1.706 32.017 30.300 0.017 0.000 1.160 385 R HN 0.519 nan 8.270 nan 0.000 0.457 386 V N 3.998 123.918 119.914 0.011 0.000 2.709 386 V HA 0.492 4.613 4.120 0.001 0.000 0.308 386 V C -0.918 175.173 176.094 -0.004 0.000 1.062 386 V CA -0.783 61.520 62.300 0.005 0.000 0.901 386 V CB 2.129 33.943 31.823 -0.016 0.000 1.003 386 V HN 0.507 nan 8.190 nan 0.000 0.425 387 V N 3.461 123.376 119.914 0.002 0.000 2.577 387 V HA 0.766 4.887 4.120 0.001 0.000 0.303 387 V C 0.133 176.223 176.094 -0.006 0.000 1.042 387 V CA -0.291 62.006 62.300 -0.004 0.000 0.872 387 V CB 2.094 33.919 31.823 0.002 0.000 0.998 387 V HN 1.074 nan 8.190 nan 0.000 0.423 388 T N 0.000 114.545 114.554 -0.015 0.000 3.816 388 T HA 0.000 4.351 4.350 0.001 0.000 0.228 388 T CA 0.000 62.090 62.100 -0.016 0.000 1.349 388 T CB 0.000 68.851 68.868 -0.028 0.000 0.612 388 T HN 0.000 nan 8.240 nan 0.000 0.658