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 1hm2_1_A DATA FIRST_RESID 26 DATA SEQUENCE GTAELIMKRV MLDLKKPLRN MDKVAEKNLN TLQPDGSWKD VPYKDDAMTN DATA SEQUENCE WLPNNHLLQL ETIIQAYIEK DSHYYGDDKV FDQISKAFKY WYDSDPKSRN DATA SEQUENCE WWHNEIATPQ ALGEMLILMR YGKKPLDEAL VHKLTERMKR GEPEKKTGAN DATA SEQUENCE KTDIALHYFY RALLTSDEAL LSFAVKELFY PVQFVHYEEG LQYDYSYLQH DATA SEQUENCE GPQLQISSYG AVFITGVLKL ANYVRDTPYA LSTEKLAIFS KYYRDSYLKA DATA SEQUENCE IRGSYMDFNV EGRGVSRPDI LNKKAEKKRL LVAKMIDLKH TEEWADAIAR DATA SEQUENCE TDSTVAAGYK IEPYHHQFWN GDYVQHLRPA YSFNVRMVSK RTRRSESGNK DATA SEQUENCE ENLLGRYLSD GATNIQLRGP EYYNIMPVWE WDKIPGITSR DYLTDRPLTK DATA SEQUENCE LWGEQGSNDF AGGVSDGVYG ASAYALDYDS LQAKKAWFFF DKEIVCLGAG DATA SEQUENCE INSNAPENIT TTLNQSWLNG PVISTAGKTG RGKITTFKAQ GQFWLLHDAI DATA SEQUENCE GYYFPEGANL SLSTQSQKGN WFHINNSHSK DEVSGDVFKL WINHGARPEN DATA SEQUENCE AQYAYIVLPG INKPEEIKKY NGTAPKVLAN TNQLQAVYHQ QLDMVQAIFY DATA SEQUENCE TAGKLSVAGI EIETDKPCAV LIKHINGKQV IWAADPLQKE KTAVLSIRDL DATA SEQUENCE KTGKTNRVKI DFPQQEFAGA TVEL 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 26 G HA2 0.000 nan 3.960 nan 0.000 0.244 26 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 26 G C 0.000 174.942 174.900 0.070 0.000 0.946 26 G CA 0.000 45.131 45.100 0.052 0.000 0.502 27 T N 1.803 116.414 114.554 0.094 0.000 2.809 27 T HA 0.068 4.421 4.350 0.003 0.000 0.260 27 T C 2.822 177.597 174.700 0.126 0.000 1.039 27 T CA 2.155 64.334 62.100 0.132 0.000 1.141 27 T CB -0.112 68.873 68.868 0.194 0.000 0.869 27 T HN 0.895 nan 8.240 nan 0.000 0.437 28 A N 1.561 124.441 122.820 0.100 0.000 1.908 28 A HA -0.160 4.162 4.320 0.003 0.000 0.218 28 A C 2.182 179.782 177.584 0.027 0.000 1.181 28 A CA 2.085 54.148 52.037 0.042 0.000 0.627 28 A CB -0.614 18.394 19.000 0.014 0.000 0.818 28 A HN 0.452 nan 8.150 nan 0.000 0.445 29 E N -0.260 119.964 120.200 0.039 0.000 2.077 29 E HA -0.164 4.188 4.350 0.003 0.000 0.193 29 E C 1.792 178.437 176.600 0.074 0.000 0.989 29 E CA 1.306 57.733 56.400 0.045 0.000 0.800 29 E CB -0.430 29.293 29.700 0.038 0.000 0.746 29 E HN 0.446 nan 8.360 nan 0.000 0.452 30 L N 0.281 121.551 121.223 0.078 0.000 2.046 30 L HA -0.082 4.260 4.340 0.003 0.000 0.208 30 L C 2.167 179.093 176.870 0.093 0.000 1.077 30 L CA 1.683 56.576 54.840 0.088 0.000 0.747 30 L CB -0.427 41.688 42.059 0.094 0.000 0.896 30 L HN 0.256 nan 8.230 nan 0.000 0.432 31 I N -1.119 119.510 120.570 0.099 0.000 2.226 31 I HA -0.326 3.846 4.170 0.003 0.000 0.245 31 I C 2.578 178.712 176.117 0.028 0.000 1.100 31 I CA 1.873 63.240 61.300 0.112 0.000 1.374 31 I CB -0.297 37.783 38.000 0.133 0.000 1.057 31 I HN 0.387 nan 8.210 nan 0.000 0.413 32 M N 0.729 120.329 119.600 0.000 0.000 2.175 32 M HA -0.240 4.242 4.480 0.003 0.000 0.264 32 M C 2.285 178.601 176.300 0.026 0.000 1.063 32 M CA 1.715 57.005 55.300 -0.017 0.000 1.119 32 M CB -0.048 32.569 32.600 0.028 0.000 1.377 32 M HN -0.033 nan 8.290 nan 0.000 0.415 33 K N 0.561 121.015 120.400 0.091 0.000 2.063 33 K HA -0.167 4.155 4.320 0.003 0.000 0.208 33 K C 1.703 178.251 176.600 -0.088 0.000 1.048 33 K CA 1.861 58.162 56.287 0.023 0.000 0.928 33 K CB -0.244 32.308 32.500 0.087 0.000 0.713 33 K HN 0.346 nan 8.250 nan 0.000 0.442 34 R N -0.390 120.099 120.500 -0.018 0.000 2.081 34 R HA -0.068 4.274 4.340 0.003 0.000 0.235 34 R C 2.249 178.516 176.300 -0.055 0.000 1.131 34 R CA 1.484 57.597 56.100 0.022 0.000 0.960 34 R CB -0.505 29.883 30.300 0.146 0.000 0.856 34 R HN 0.028 nan 8.270 nan 0.000 0.436 35 V N 1.490 121.237 119.914 -0.279 0.000 2.343 35 V HA -0.293 3.829 4.120 0.003 0.000 0.247 35 V C 2.459 178.420 176.094 -0.223 0.000 1.051 35 V CA 1.683 63.696 62.300 -0.479 0.000 1.036 35 V CB -0.510 30.990 31.823 -0.539 0.000 0.654 35 V HN 0.386 nan 8.190 nan 0.000 0.451 36 M N -0.107 119.344 119.600 -0.248 0.000 2.065 36 M HA -0.180 4.302 4.480 0.003 0.000 0.259 36 M C 2.181 178.349 176.300 -0.220 0.000 1.069 36 M CA 2.125 57.240 55.300 -0.309 0.000 1.110 36 M CB -0.753 31.403 32.600 -0.740 0.000 1.328 36 M HN 0.292 nan 8.290 nan 0.000 0.405 37 L N 0.160 121.269 121.223 -0.189 0.000 2.187 37 L HA -0.227 4.115 4.340 0.003 0.000 0.213 37 L C 1.977 178.829 176.870 -0.031 0.000 1.100 37 L CA 1.518 56.297 54.840 -0.101 0.000 0.765 37 L CB -0.760 41.261 42.059 -0.063 0.000 0.904 37 L HN 0.353 nan 8.230 nan 0.000 0.437 38 D N -0.259 120.151 120.400 0.016 0.000 2.249 38 D HA -0.078 4.565 4.640 0.003 0.000 0.205 38 D C 2.134 178.465 176.300 0.051 0.000 0.962 38 D CA 0.709 54.760 54.000 0.086 0.000 0.860 38 D CB 0.204 41.165 40.800 0.269 0.000 0.955 38 D HN 0.210 nan 8.370 nan 0.000 0.505 39 L N -0.085 121.140 121.223 0.003 0.000 2.418 39 L HA 0.076 4.418 4.340 0.003 0.000 0.218 39 L C 0.894 177.755 176.870 -0.016 0.000 1.125 39 L CA 0.142 54.977 54.840 -0.009 0.000 0.835 39 L CB -0.140 41.889 42.059 -0.050 0.000 0.953 39 L HN -0.151 nan 8.230 nan 0.000 0.454 40 K N 2.019 122.403 120.400 -0.028 0.000 2.489 40 K HA 0.063 4.385 4.320 0.003 0.000 0.278 40 K C 0.012 176.606 176.600 -0.010 0.000 1.000 40 K CA 0.444 56.717 56.287 -0.023 0.000 1.012 40 K CB 0.570 33.048 32.500 -0.036 0.000 0.903 40 K HN -0.039 nan 8.250 nan 0.000 0.485 41 K N 2.419 122.816 120.400 -0.006 0.000 2.123 41 K HA 0.410 4.732 4.320 0.003 0.000 0.248 41 K C -2.255 174.340 176.600 -0.008 0.000 0.969 41 K CA -1.982 54.302 56.287 -0.005 0.000 0.882 41 K CB 0.679 33.177 32.500 -0.002 0.000 1.080 41 K HN 0.307 nan 8.250 nan 0.000 0.441 42 P HA 0.006 nan 4.420 nan 0.000 0.268 42 P C 0.681 177.972 177.300 -0.015 0.000 1.205 42 P CA -0.253 62.839 63.100 -0.013 0.000 0.771 42 P CB 0.467 32.160 31.700 -0.012 0.000 0.858 43 L N 3.074 124.283 121.223 -0.023 0.000 2.275 43 L HA -0.011 4.331 4.340 0.003 0.000 0.215 43 L C 1.079 177.931 176.870 -0.030 0.000 1.119 43 L CA 1.198 56.020 54.840 -0.030 0.000 0.790 43 L CB -0.696 41.337 42.059 -0.043 0.000 0.919 43 L HN 0.255 nan 8.230 nan 0.000 0.443 44 R N 0.629 121.115 120.500 -0.024 0.000 2.449 44 R HA -0.033 4.310 4.340 0.003 0.000 0.296 44 R C 0.595 176.887 176.300 -0.013 0.000 1.047 44 R CA 0.572 56.659 56.100 -0.021 0.000 1.018 44 R CB -0.059 30.231 30.300 -0.017 0.000 0.962 44 R HN 0.391 nan 8.270 nan 0.000 0.428 45 N N 2.554 121.247 118.700 -0.012 0.000 2.857 45 N HA -0.318 4.424 4.740 0.003 0.000 0.242 45 N C 0.820 176.337 175.510 0.012 0.000 0.983 45 N CA 1.665 54.716 53.050 0.002 0.000 0.934 45 N CB -0.981 37.507 38.487 0.002 0.000 1.115 45 N HN 0.772 nan 8.380 nan 0.000 0.593 46 M N 0.573 120.176 119.600 0.005 0.000 2.080 46 M HA -0.181 4.301 4.480 0.003 0.000 0.260 46 M C 1.084 177.425 176.300 0.069 0.000 1.068 46 M CA 2.005 57.319 55.300 0.024 0.000 1.109 46 M CB -0.043 32.566 32.600 0.016 0.000 1.342 46 M HN -0.058 nan 8.290 nan 0.000 0.405 47 D N 0.278 120.715 120.400 0.060 0.000 2.178 47 D HA -0.146 4.496 4.640 0.003 0.000 0.202 47 D C 1.863 178.325 176.300 0.270 0.000 0.974 47 D CA 1.105 55.219 54.000 0.190 0.000 0.841 47 D CB -0.293 40.404 40.800 -0.171 0.000 0.953 47 D HN 0.466 nan 8.370 nan 0.000 0.478 48 K N 0.712 121.197 120.400 0.141 0.000 2.026 48 K HA -0.111 4.211 4.320 0.003 0.000 0.208 48 K C 1.924 178.586 176.600 0.103 0.000 1.048 48 K CA 0.963 57.325 56.287 0.126 0.000 0.929 48 K CB -0.009 32.532 32.500 0.068 0.000 0.713 48 K HN -0.078 nan 8.250 nan 0.000 0.439 49 V N 1.445 121.398 119.914 0.065 0.000 2.295 49 V HA -0.246 3.876 4.120 0.003 0.000 0.246 49 V C 2.503 178.613 176.094 0.026 0.000 1.049 49 V CA 1.961 64.275 62.300 0.024 0.000 1.024 49 V CB -0.822 30.998 31.823 -0.005 0.000 0.648 49 V HN 0.516 nan 8.190 nan 0.000 0.447 50 A N -0.152 122.700 122.820 0.054 0.000 1.883 50 A HA -0.321 4.001 4.320 0.003 0.000 0.217 50 A C 2.307 179.880 177.584 -0.019 0.000 1.186 50 A CA 2.248 54.284 52.037 -0.003 0.000 0.624 50 A CB -0.618 18.381 19.000 -0.001 0.000 0.822 50 A HN 0.651 nan 8.150 nan 0.000 0.444 51 E N -0.173 120.105 120.200 0.131 0.000 2.085 51 E HA -0.269 4.083 4.350 0.003 0.000 0.194 51 E C 2.086 178.742 176.600 0.093 0.000 0.994 51 E CA 1.603 58.102 56.400 0.165 0.000 0.801 51 E CB -0.171 29.704 29.700 0.292 0.000 0.743 51 E HN 0.632 nan 8.360 nan 0.000 0.453 52 K N 0.106 120.552 120.400 0.076 0.000 2.032 52 K HA -0.184 4.138 4.320 0.003 0.000 0.209 52 K C 1.809 178.448 176.600 0.066 0.000 1.048 52 K CA 1.746 58.065 56.287 0.053 0.000 0.927 52 K CB -0.018 32.495 32.500 0.022 0.000 0.712 52 K HN 0.127 nan 8.250 nan 0.000 0.441 53 N N 0.614 119.349 118.700 0.058 0.000 2.376 53 N HA -0.102 4.640 4.740 0.003 0.000 0.177 53 N C 1.631 177.342 175.510 0.336 0.000 1.024 53 N CA 0.524 53.675 53.050 0.169 0.000 0.893 53 N CB -0.073 38.410 38.487 -0.006 0.000 0.980 53 N HN 0.127 nan 8.380 nan 0.000 0.439 54 L N 1.722 123.017 121.223 0.120 0.000 2.156 54 L HA -0.012 4.330 4.340 0.003 0.000 0.208 54 L C 1.739 178.624 176.870 0.025 0.000 1.095 54 L CA 1.317 56.170 54.840 0.022 0.000 0.770 54 L CB -0.812 41.169 42.059 -0.130 0.000 0.914 54 L HN 0.086 nan 8.230 nan 0.000 0.439 55 N N -1.904 116.834 118.700 0.063 0.000 2.331 55 N HA -0.171 4.571 4.740 0.003 0.000 0.180 55 N C 1.614 177.153 175.510 0.049 0.000 1.019 55 N CA 1.524 54.605 53.050 0.050 0.000 0.881 55 N CB 0.012 38.536 38.487 0.061 0.000 0.972 55 N HN 0.306 nan 8.380 nan 0.000 0.435 56 T N -0.977 113.646 114.554 0.115 0.000 3.069 56 T HA 0.192 4.544 4.350 0.003 0.000 0.252 56 T C -0.011 174.661 174.700 -0.046 0.000 1.053 56 T CA -0.528 61.648 62.100 0.127 0.000 0.964 56 T CB -0.365 68.665 68.868 0.270 0.000 1.005 56 T HN 0.119 nan 8.240 nan 0.000 0.532 57 L N 3.672 124.764 121.223 -0.218 0.000 2.456 57 L HA 0.345 4.687 4.340 0.003 0.000 0.277 57 L C 0.291 176.895 176.870 -0.444 0.000 1.124 57 L CA 0.131 54.540 54.840 -0.719 0.000 0.880 57 L CB 0.213 41.879 42.059 -0.655 0.000 1.192 57 L HN 0.277 nan 8.230 nan 0.000 0.463 58 Q N 6.237 125.767 119.800 -0.450 0.000 2.454 58 Q HA 0.075 4.417 4.340 0.003 0.000 0.247 58 Q C -1.424 174.419 176.000 -0.263 0.000 1.028 58 Q CA -1.122 54.511 55.803 -0.283 0.000 0.910 58 Q CB 0.154 28.738 28.738 -0.256 0.000 1.276 58 Q HN 0.521 nan 8.270 nan 0.000 0.489 59 P HA -0.198 nan 4.420 nan 0.000 0.219 59 P C 0.479 177.691 177.300 -0.146 0.000 1.146 59 P CA 1.191 64.210 63.100 -0.136 0.000 0.808 59 P CB 0.226 31.871 31.700 -0.091 0.000 0.779 60 D N -1.076 119.215 120.400 -0.183 0.000 2.144 60 D HA -0.099 4.543 4.640 0.003 0.000 0.199 60 D C 1.619 177.784 176.300 -0.225 0.000 0.984 60 D CA 1.950 55.836 54.000 -0.190 0.000 0.834 60 D CB -0.595 40.038 40.800 -0.278 0.000 0.955 60 D HN 0.184 nan 8.370 nan 0.000 0.465 61 G N -0.641 107.953 108.800 -0.343 0.000 2.163 61 G HA2 -0.182 3.780 3.960 0.003 0.000 0.213 61 G HA3 -0.182 3.780 3.960 0.003 0.000 0.213 61 G C 0.240 174.854 174.900 -0.477 0.000 0.991 61 G CA 0.651 45.556 45.100 -0.325 0.000 0.653 61 G HN 0.695 nan 8.290 nan 0.000 0.518 62 S N -0.821 114.438 115.700 -0.734 0.000 2.648 62 S HA 0.828 5.300 4.470 0.003 0.000 0.305 62 S C -0.558 173.796 174.600 -0.411 0.000 1.094 62 S CA -0.930 56.836 58.200 -0.724 0.000 0.983 62 S CB 2.085 64.382 63.200 -1.506 0.000 1.101 62 S HN 0.480 nan 8.310 nan 0.000 0.514 63 W N 0.925 122.301 121.300 0.127 0.000 2.475 63 W HA 0.456 5.119 4.660 0.004 0.000 0.317 63 W C 1.252 177.841 176.519 0.118 0.000 1.046 63 W CA -0.660 56.736 57.345 0.085 0.000 1.215 63 W CB 1.649 31.151 29.460 0.071 0.000 1.335 63 W HN 1.112 nan 8.180 nan 0.000 0.471 64 K N 1.564 122.099 120.400 0.225 0.000 2.074 64 K HA -0.209 4.113 4.320 0.003 0.000 0.209 64 K C 0.866 177.556 176.600 0.149 0.000 1.048 64 K CA 2.058 58.435 56.287 0.151 0.000 0.926 64 K CB -0.392 32.160 32.500 0.085 0.000 0.713 64 K HN 0.376 nan 8.250 nan 0.000 0.444 65 D N -0.093 120.388 120.400 0.135 0.000 2.338 65 D HA 0.097 4.739 4.640 0.003 0.000 0.239 65 D C -0.597 175.707 176.300 0.007 0.000 1.095 65 D CA 0.182 54.217 54.000 0.057 0.000 0.888 65 D CB 0.097 40.911 40.800 0.023 0.000 0.899 65 D HN 0.213 nan 8.370 nan 0.000 0.525 66 V N 2.217 122.151 119.914 0.035 0.000 2.347 66 V HA 0.214 4.336 4.120 0.003 0.000 0.280 66 V C -2.203 173.755 176.094 -0.228 0.000 1.021 66 V CA -1.613 60.575 62.300 -0.187 0.000 0.847 66 V CB 1.857 33.476 31.823 -0.340 0.000 0.990 66 V HN -0.142 nan 8.190 nan 0.000 0.444 67 P HA 0.220 nan 4.420 nan 0.000 0.244 67 P C 0.015 177.233 177.300 -0.138 0.000 1.769 67 P CA -0.224 62.822 63.100 -0.090 0.000 1.102 67 P CB -0.165 31.486 31.700 -0.082 0.000 1.937 68 Y N 0.627 120.933 120.300 0.011 0.000 2.556 68 Y HA -0.166 4.387 4.550 0.003 0.000 0.290 68 Y C 1.919 177.790 175.900 -0.049 0.000 1.149 68 Y CA 1.028 59.111 58.100 -0.028 0.000 1.329 68 Y CB -0.408 38.073 38.460 0.036 0.000 0.975 68 Y HN 0.135 nan 8.280 nan 0.000 0.561 69 K N -0.038 120.424 120.400 0.102 0.000 2.356 69 K HA -0.021 4.301 4.320 0.003 0.000 0.195 69 K C 0.265 176.912 176.600 0.079 0.000 1.037 69 K CA 0.190 56.524 56.287 0.079 0.000 1.014 69 K CB -0.268 32.274 32.500 0.070 0.000 0.815 69 K HN 0.321 nan 8.250 nan 0.000 0.507 70 D N 2.802 123.223 120.400 0.036 0.000 2.488 70 D HA -0.101 4.541 4.640 0.003 0.000 0.238 70 D C -0.239 176.194 176.300 0.222 0.000 1.138 70 D CA 0.622 54.657 54.000 0.059 0.000 0.873 70 D CB 0.845 41.618 40.800 -0.045 0.000 1.183 70 D HN 0.125 nan 8.370 nan 0.000 0.458 71 D N 1.676 122.229 120.400 0.255 0.000 2.673 71 D HA 0.201 4.843 4.640 0.003 0.000 0.278 71 D C 0.168 176.632 176.300 0.273 0.000 1.393 71 D CA -0.542 53.660 54.000 0.337 0.000 0.805 71 D CB -0.184 40.729 40.800 0.187 0.000 1.110 71 D HN 0.381 nan 8.370 nan 0.000 0.476 72 A N 0.488 123.489 122.820 0.301 0.000 2.583 72 A HA 0.189 4.511 4.320 0.003 0.000 0.231 72 A C 1.398 179.105 177.584 0.205 0.000 1.065 72 A CA 0.103 52.268 52.037 0.213 0.000 0.760 72 A CB 0.277 19.382 19.000 0.174 0.000 1.001 72 A HN 0.317 nan 8.150 nan 0.000 0.509 73 M N 1.638 121.336 119.600 0.163 0.000 2.098 73 M HA -0.007 4.475 4.480 0.003 0.000 0.262 73 M C 1.195 177.646 176.300 0.251 0.000 1.072 73 M CA 2.369 57.773 55.300 0.175 0.000 1.133 73 M CB -0.259 32.424 32.600 0.138 0.000 1.344 73 M HN 0.911 nan 8.290 nan 0.000 0.414 74 T N -1.949 112.723 114.554 0.196 0.000 2.908 74 T HA 0.441 4.794 4.350 0.003 0.000 0.290 74 T C -0.175 174.617 174.700 0.153 0.000 1.034 74 T CA -0.829 61.390 62.100 0.199 0.000 1.010 74 T CB 1.278 70.191 68.868 0.075 0.000 1.068 74 T HN 0.398 nan 8.240 nan 0.000 0.481 75 N N -0.199 118.588 118.700 0.145 0.000 2.746 75 N HA -0.145 4.597 4.740 0.003 0.000 0.250 75 N C -1.247 174.316 175.510 0.088 0.000 1.055 75 N CA 0.464 53.559 53.050 0.075 0.000 0.699 75 N CB -1.261 37.230 38.487 0.006 0.000 0.919 75 N HN 0.865 nan 8.380 nan 0.000 0.548 76 W N 2.417 123.622 121.300 -0.158 0.000 2.510 76 W HA 0.301 4.963 4.660 0.003 0.000 0.388 76 W C 1.158 177.593 176.519 -0.140 0.000 1.092 76 W CA -0.490 56.700 57.345 -0.257 0.000 1.562 76 W CB -0.449 28.576 29.460 -0.724 0.000 1.603 76 W HN 0.318 nan 8.180 nan 0.000 0.396 77 L N 7.147 128.158 121.223 -0.353 0.000 2.081 77 L HA -0.184 4.158 4.340 0.003 0.000 0.212 77 L C -0.256 176.271 176.870 -0.571 0.000 1.080 77 L CA 1.080 55.691 54.840 -0.381 0.000 0.754 77 L CB -1.797 40.107 42.059 -0.258 0.000 0.893 77 L HN 0.237 nan 8.230 nan 0.000 0.433 78 P HA -0.184 nan 4.420 nan 0.000 0.221 78 P C 1.167 178.177 177.300 -0.482 0.000 1.145 78 P CA 1.285 63.905 63.100 -0.800 0.000 0.795 78 P CB -0.223 30.853 31.700 -1.040 0.000 0.775 79 N N -0.350 117.990 118.700 -0.600 0.000 2.272 79 N HA -0.166 4.576 4.740 0.003 0.000 0.185 79 N C 1.324 176.714 175.510 -0.200 0.000 1.014 79 N CA 0.724 53.652 53.050 -0.202 0.000 0.870 79 N CB -0.281 38.226 38.487 0.032 0.000 0.975 79 N HN 0.063 nan 8.380 nan 0.000 0.433 80 N N 0.338 118.895 118.700 -0.238 0.000 2.348 80 N HA -0.197 4.545 4.740 0.003 0.000 0.185 80 N C 1.433 176.752 175.510 -0.319 0.000 1.019 80 N CA 0.797 53.688 53.050 -0.264 0.000 0.880 80 N CB -0.512 37.811 38.487 -0.274 0.000 0.965 80 N HN 0.584 nan 8.380 nan 0.000 0.437 81 H N 0.831 119.731 119.070 -0.283 0.000 2.326 81 H HA 0.093 4.651 4.556 0.003 0.000 0.301 81 H C 2.185 177.356 175.328 -0.262 0.000 1.081 81 H CA 1.203 57.178 56.048 -0.120 0.000 1.334 81 H CB -0.134 29.838 29.762 0.350 0.000 1.385 81 H HN 0.049 nan 8.280 nan 0.000 0.504 82 L N -0.029 121.014 121.223 -0.302 0.000 2.017 82 L HA -0.181 4.161 4.340 0.003 0.000 0.208 82 L C 2.535 179.213 176.870 -0.319 0.000 1.073 82 L CA 1.065 55.660 54.840 -0.407 0.000 0.745 82 L CB -0.463 41.296 42.059 -0.501 0.000 0.894 82 L HN 0.361 nan 8.230 nan 0.000 0.432 83 L N -0.683 120.370 121.223 -0.282 0.000 2.012 83 L HA -0.272 4.070 4.340 0.003 0.000 0.210 83 L C 2.735 179.419 176.870 -0.310 0.000 1.073 83 L CA 1.532 56.228 54.840 -0.241 0.000 0.748 83 L CB -0.569 41.368 42.059 -0.202 0.000 0.891 83 L HN 0.374 nan 8.230 nan 0.000 0.431 84 Q N -0.517 118.988 119.800 -0.490 0.000 2.079 84 Q HA -0.233 4.109 4.340 0.003 0.000 0.200 84 Q C 2.225 177.970 176.000 -0.425 0.000 0.974 84 Q CA 1.247 56.677 55.803 -0.622 0.000 0.840 84 Q CB -0.262 27.705 28.738 -1.285 0.000 0.898 84 Q HN 0.321 nan 8.270 nan 0.000 0.430 85 L N 1.396 122.390 121.223 -0.382 0.000 2.083 85 L HA -0.193 4.149 4.340 0.003 0.000 0.209 85 L C 2.229 178.980 176.870 -0.199 0.000 1.083 85 L CA 1.814 56.536 54.840 -0.197 0.000 0.752 85 L CB -0.504 41.347 42.059 -0.346 0.000 0.899 85 L HN 0.188 nan 8.230 nan 0.000 0.433 86 E N -0.443 119.637 120.200 -0.200 0.000 2.085 86 E HA -0.248 4.104 4.350 0.003 0.000 0.194 86 E C 2.037 178.589 176.600 -0.080 0.000 0.994 86 E CA 2.016 58.343 56.400 -0.121 0.000 0.801 86 E CB -0.194 29.441 29.700 -0.109 0.000 0.743 86 E HN 0.752 nan 8.360 nan 0.000 0.453 87 T N -1.035 113.458 114.554 -0.102 0.000 2.833 87 T HA -0.082 4.270 4.350 0.003 0.000 0.269 87 T C 2.173 176.852 174.700 -0.036 0.000 1.054 87 T CA 1.211 63.273 62.100 -0.064 0.000 1.135 87 T CB -0.375 68.440 68.868 -0.087 0.000 0.869 87 T HN 0.144 nan 8.240 nan 0.000 0.466 88 I N 0.422 120.959 120.570 -0.055 0.000 2.333 88 I HA 0.033 4.205 4.170 0.003 0.000 0.246 88 I C 2.536 178.661 176.117 0.014 0.000 1.106 88 I CA 0.927 62.197 61.300 -0.050 0.000 1.411 88 I CB -0.310 37.648 38.000 -0.069 0.000 1.082 88 I HN 0.197 nan 8.210 nan 0.000 0.420 89 I N 0.424 120.999 120.570 0.009 0.000 2.163 89 I HA -0.317 3.855 4.170 0.003 0.000 0.243 89 I C 2.726 178.940 176.117 0.162 0.000 1.085 89 I CA 1.253 62.609 61.300 0.094 0.000 1.347 89 I CB -0.437 37.602 38.000 0.066 0.000 1.044 89 I HN 0.331 nan 8.210 nan 0.000 0.408 90 Q N 0.616 120.474 119.800 0.096 0.000 2.045 90 Q HA -0.259 4.083 4.340 0.003 0.000 0.206 90 Q C 2.462 178.547 176.000 0.142 0.000 0.991 90 Q CA 2.218 58.079 55.803 0.096 0.000 0.851 90 Q CB -0.627 28.141 28.738 0.049 0.000 0.911 90 Q HN 0.603 nan 8.270 nan 0.000 0.418 91 A N 0.305 123.219 122.820 0.157 0.000 1.865 91 A HA -0.243 4.079 4.320 0.003 0.000 0.217 91 A C 2.024 179.793 177.584 0.309 0.000 1.191 91 A CA 1.688 53.862 52.037 0.228 0.000 0.623 91 A CB -1.191 17.973 19.000 0.274 0.000 0.826 91 A HN 0.468 nan 8.150 nan 0.000 0.444 92 Y N 1.337 121.747 120.300 0.184 0.000 2.181 92 Y HA -0.253 4.299 4.550 0.003 0.000 0.284 92 Y C 1.896 177.943 175.900 0.245 0.000 1.179 92 Y CA 2.088 60.309 58.100 0.201 0.000 1.179 92 Y CB -0.236 38.311 38.460 0.144 0.000 0.973 92 Y HN 0.475 nan 8.280 nan 0.000 0.519 93 I N -1.669 119.011 120.570 0.183 0.000 3.860 93 I HA 0.181 4.353 4.170 0.003 0.000 0.319 93 I C 0.254 176.524 176.117 0.256 0.000 1.279 93 I CA 0.152 61.546 61.300 0.157 0.000 1.220 93 I CB -0.178 37.944 38.000 0.204 0.000 1.027 93 I HN 0.010 nan 8.210 nan 0.000 0.428 94 E N 2.513 122.838 120.200 0.209 0.000 2.194 94 E HA 0.146 4.498 4.350 0.003 0.000 0.284 94 E C 0.653 177.135 176.600 -0.196 0.000 1.035 94 E CA -0.125 56.297 56.400 0.036 0.000 0.836 94 E CB 1.188 30.905 29.700 0.029 0.000 1.070 94 E HN 0.227 nan 8.360 nan 0.000 0.401 95 K N 3.019 123.035 120.400 -0.641 0.000 2.074 95 K HA -0.141 4.181 4.320 0.003 0.000 0.209 95 K C 0.452 176.692 176.600 -0.600 0.000 1.048 95 K CA 1.640 57.164 56.287 -1.271 0.000 0.926 95 K CB 0.130 32.160 32.500 -0.784 0.000 0.713 95 K HN 0.541 nan 8.250 nan 0.000 0.444 96 D N 0.626 120.845 120.400 -0.302 0.000 2.349 96 D HA -0.028 4.614 4.640 0.003 0.000 0.224 96 D C 0.357 176.582 176.300 -0.124 0.000 1.029 96 D CA 0.339 54.234 54.000 -0.174 0.000 0.879 96 D CB 0.245 40.964 40.800 -0.134 0.000 0.906 96 D HN -0.009 nan 8.370 nan 0.000 0.528 97 S N 0.356 116.012 115.700 -0.072 0.000 2.545 97 S HA 0.019 4.491 4.470 0.003 0.000 0.275 97 S C 1.290 175.935 174.600 0.076 0.000 1.299 97 S CA -0.634 57.564 58.200 -0.003 0.000 1.048 97 S CB 0.435 63.732 63.200 0.162 0.000 0.938 97 S HN 0.355 nan 8.310 nan 0.000 0.496 98 H N 3.077 122.117 119.070 -0.050 0.000 2.556 98 H HA 0.083 4.641 4.556 0.003 0.000 0.268 98 H C 0.135 175.338 175.328 -0.207 0.000 0.996 98 H CA 0.359 56.313 56.048 -0.156 0.000 1.157 98 H CB -0.221 29.384 29.762 -0.261 0.000 1.355 98 H HN 0.771 nan 8.280 nan 0.000 0.597 99 Y N -0.407 120.109 120.300 0.360 0.000 2.481 99 Y HA 0.035 4.588 4.550 0.003 0.000 0.247 99 Y C 0.323 176.365 175.900 0.238 0.000 1.151 99 Y CA -1.074 57.187 58.100 0.269 0.000 1.238 99 Y CB 0.288 38.914 38.460 0.277 0.000 1.179 99 Y HN 0.122 nan 8.280 nan 0.000 0.524 100 Y N 2.255 122.664 120.300 0.183 0.000 2.887 100 Y HA 0.090 4.642 4.550 0.003 0.000 0.350 100 Y C 1.354 177.228 175.900 -0.044 0.000 1.294 100 Y CA 0.796 58.907 58.100 0.018 0.000 1.622 100 Y CB -0.086 38.369 38.460 -0.009 0.000 1.201 100 Y HN 0.438 nan 8.280 nan 0.000 0.546 101 G N 4.327 112.708 108.800 -0.697 0.000 2.180 101 G HA2 -0.391 3.571 3.960 0.003 0.000 0.263 101 G HA3 -0.391 3.571 3.960 0.003 0.000 0.263 101 G C 0.031 174.926 174.900 -0.008 0.000 0.989 101 G CA 0.374 45.093 45.100 -0.637 0.000 0.692 101 G HN 0.918 nan 8.290 nan 0.000 0.526 102 D N -0.076 120.458 120.400 0.223 0.000 2.434 102 D HA 0.334 4.976 4.640 0.003 0.000 0.252 102 D C 1.412 177.901 176.300 0.315 0.000 1.185 102 D CA 0.081 54.237 54.000 0.260 0.000 0.886 102 D CB 0.426 41.413 40.800 0.312 0.000 1.148 102 D HN 0.099 nan 8.370 nan 0.000 0.483 103 D N 2.896 123.408 120.400 0.187 0.000 2.149 103 D HA -0.173 4.469 4.640 0.003 0.000 0.198 103 D C 1.608 178.019 176.300 0.185 0.000 0.990 103 D CA 0.971 55.068 54.000 0.162 0.000 0.839 103 D CB 0.069 40.912 40.800 0.071 0.000 0.948 103 D HN 0.385 nan 8.370 nan 0.000 0.460 104 K N 0.866 121.353 120.400 0.144 0.000 2.057 104 K HA -0.054 4.268 4.320 0.003 0.000 0.206 104 K C 1.836 178.484 176.600 0.080 0.000 1.050 104 K CA 0.823 57.171 56.287 0.101 0.000 0.935 104 K CB -0.522 32.029 32.500 0.084 0.000 0.715 104 K HN -0.030 nan 8.250 nan 0.000 0.439 105 V N 1.036 121.018 119.914 0.114 0.000 2.427 105 V HA -0.163 3.959 4.120 0.003 0.000 0.248 105 V C 2.080 178.121 176.094 -0.089 0.000 1.051 105 V CA 1.826 64.143 62.300 0.028 0.000 1.048 105 V CB -0.682 31.212 31.823 0.119 0.000 0.666 105 V HN 0.349 nan 8.190 nan 0.000 0.456 106 F N 1.777 121.602 119.950 -0.208 0.000 2.095 106 F HA -0.231 4.298 4.527 0.003 0.000 0.298 106 F C 2.191 177.881 175.800 -0.183 0.000 1.104 106 F CA 2.208 59.983 58.000 -0.376 0.000 1.232 106 F CB -0.376 38.483 39.000 -0.235 0.000 0.987 106 F HN 0.221 nan 8.300 nan 0.000 0.475 107 D N 0.094 120.503 120.400 0.014 0.000 2.123 107 D HA -0.212 4.430 4.640 0.003 0.000 0.196 107 D C 2.229 178.430 176.300 -0.164 0.000 0.992 107 D CA 1.673 55.643 54.000 -0.051 0.000 0.833 107 D CB -0.587 40.244 40.800 0.052 0.000 0.954 107 D HN 0.516 nan 8.370 nan 0.000 0.455 108 Q N -0.001 119.708 119.800 -0.153 0.000 2.079 108 Q HA -0.054 4.288 4.340 0.003 0.000 0.200 108 Q C 2.510 178.371 176.000 -0.232 0.000 0.974 108 Q CA 0.682 56.376 55.803 -0.182 0.000 0.840 108 Q CB 0.006 28.643 28.738 -0.168 0.000 0.898 108 Q HN 0.343 nan 8.270 nan 0.000 0.430 109 I N 0.544 120.940 120.570 -0.290 0.000 2.163 109 I HA -0.292 3.880 4.170 0.003 0.000 0.243 109 I C 2.256 178.262 176.117 -0.185 0.000 1.085 109 I CA 1.012 62.134 61.300 -0.296 0.000 1.347 109 I CB -0.250 37.541 38.000 -0.349 0.000 1.044 109 I HN 0.111 nan 8.210 nan 0.000 0.408 110 S N 0.583 116.107 115.700 -0.294 0.000 2.370 110 S HA -0.252 4.220 4.470 0.003 0.000 0.226 110 S C 2.446 177.041 174.600 -0.007 0.000 1.033 110 S CA 1.963 60.069 58.200 -0.156 0.000 1.011 110 S CB -0.519 62.471 63.200 -0.350 0.000 0.852 110 S HN 0.564 nan 8.310 nan 0.000 0.457 111 K N 1.350 121.709 120.400 -0.068 0.000 2.057 111 K HA 0.248 4.570 4.320 0.003 0.000 0.206 111 K C 2.296 178.921 176.600 0.043 0.000 1.050 111 K CA 1.445 57.720 56.287 -0.020 0.000 0.935 111 K CB -1.359 31.092 32.500 -0.082 0.000 0.715 111 K HN 0.437 nan 8.250 nan 0.000 0.439 112 A N -0.194 122.608 122.820 -0.030 0.000 1.933 112 A HA 0.092 4.414 4.320 0.003 0.000 0.218 112 A C 2.282 180.044 177.584 0.297 0.000 1.175 112 A CA 1.446 53.515 52.037 0.052 0.000 0.628 112 A CB -0.518 18.364 19.000 -0.197 0.000 0.814 112 A HN 0.525 nan 8.150 nan 0.000 0.444 113 F N -0.231 119.830 119.950 0.185 0.000 2.146 113 F HA -0.142 4.387 4.527 0.003 0.000 0.298 113 F C 2.397 178.350 175.800 0.255 0.000 1.096 113 F CA 1.604 59.734 58.000 0.216 0.000 1.275 113 F CB 0.029 39.068 39.000 0.065 0.000 1.008 113 F HN 0.128 nan 8.300 nan 0.000 0.480 114 K N 0.066 120.678 120.400 0.353 0.000 2.063 114 K HA -0.259 4.063 4.320 0.003 0.000 0.208 114 K C 1.915 178.667 176.600 0.253 0.000 1.048 114 K CA 1.597 58.034 56.287 0.251 0.000 0.928 114 K CB -0.999 31.587 32.500 0.143 0.000 0.713 114 K HN 0.300 nan 8.250 nan 0.000 0.442 115 Y N -0.374 120.003 120.300 0.130 0.000 2.181 115 Y HA -0.219 4.333 4.550 0.003 0.000 0.288 115 Y C 2.157 178.057 175.900 -0.001 0.000 1.146 115 Y CA 2.050 60.154 58.100 0.006 0.000 1.164 115 Y CB -0.334 38.087 38.460 -0.064 0.000 0.982 115 Y HN 0.298 nan 8.280 nan 0.000 0.515 116 W N -0.265 121.040 121.300 0.008 0.000 2.355 116 W HA -0.346 4.316 4.660 0.003 0.000 0.309 116 W C 2.043 178.553 176.519 -0.014 0.000 1.206 116 W CA 2.169 59.483 57.345 -0.052 0.000 1.284 116 W CB -0.995 28.550 29.460 0.141 0.000 1.145 116 W HN 0.289 nan 8.180 nan 0.000 0.502 117 Y N 2.271 122.636 120.300 0.108 0.000 2.097 117 Y HA -0.299 4.253 4.550 0.003 0.000 0.282 117 Y C 2.272 178.071 175.900 -0.169 0.000 1.152 117 Y CA 2.727 60.823 58.100 -0.007 0.000 1.136 117 Y CB -0.909 37.592 38.460 0.068 0.000 0.975 117 Y HN -0.158 nan 8.280 nan 0.000 0.498 118 D N -0.862 119.445 120.400 -0.154 0.000 2.123 118 D HA -0.201 4.441 4.640 0.003 0.000 0.196 118 D C 2.423 178.447 176.300 -0.460 0.000 0.992 118 D CA 1.770 55.596 54.000 -0.290 0.000 0.833 118 D CB -0.621 40.052 40.800 -0.212 0.000 0.954 118 D HN 0.354 nan 8.370 nan 0.000 0.455 119 S N 0.018 115.341 115.700 -0.628 0.000 2.428 119 S HA -0.169 4.303 4.470 0.003 0.000 0.230 119 S C 0.218 174.514 174.600 -0.507 0.000 1.014 119 S CA 0.928 58.755 58.200 -0.622 0.000 0.957 119 S CB -0.220 62.469 63.200 -0.851 0.000 0.784 119 S HN 0.145 nan 8.310 nan 0.000 0.499 120 D N 1.313 121.345 120.400 -0.614 0.000 2.740 120 D HA -0.097 4.545 4.640 0.003 0.000 0.231 120 D C -2.547 173.501 176.300 -0.419 0.000 1.194 120 D CA 0.234 53.903 54.000 -0.553 0.000 0.673 120 D CB -0.866 39.688 40.800 -0.410 0.000 0.995 120 D HN 0.300 nan 8.370 nan 0.000 0.411 121 P HA 0.110 nan 4.420 nan 0.000 0.265 121 P C -0.332 177.103 177.300 0.225 0.000 1.193 121 P CA 0.465 63.479 63.100 -0.145 0.000 0.765 121 P CB 0.607 32.112 31.700 -0.324 0.000 0.823 122 K N 1.139 121.727 120.400 0.313 0.000 2.426 122 K HA 0.573 4.895 4.320 0.003 0.000 0.251 122 K C -0.557 176.087 176.600 0.073 0.000 0.941 122 K CA -0.768 55.584 56.287 0.109 0.000 0.808 122 K CB 2.321 34.819 32.500 -0.003 0.000 1.265 122 K HN 0.302 nan 8.250 nan 0.000 0.432 123 S N 0.388 115.790 115.700 -0.498 0.000 2.638 123 S HA 0.218 4.690 4.470 0.003 0.000 0.298 123 S C 0.932 175.436 174.600 -0.160 0.000 1.111 123 S CA -0.740 57.135 58.200 -0.542 0.000 1.027 123 S CB 0.991 63.439 63.200 -1.254 0.000 1.064 123 S HN 0.729 nan 8.310 nan 0.000 0.525 124 R N 2.004 122.492 120.500 -0.021 0.000 2.280 124 R HA 0.055 4.397 4.340 0.003 0.000 0.207 124 R C 0.131 176.472 176.300 0.069 0.000 1.043 124 R CA 0.521 56.648 56.100 0.044 0.000 1.006 124 R CB -0.528 29.819 30.300 0.078 0.000 0.885 124 R HN 0.413 nan 8.270 nan 0.000 0.467 125 N N 1.867 120.594 118.700 0.045 0.000 2.439 125 N HA -0.031 4.711 4.740 0.003 0.000 0.249 125 N C 0.853 176.346 175.510 -0.028 0.000 1.003 125 N CA -1.031 52.054 53.050 0.059 0.000 0.942 125 N CB 0.494 39.039 38.487 0.097 0.000 1.115 125 N HN 0.403 nan 8.380 nan 0.000 0.505 126 W N 3.584 124.907 121.300 0.038 0.000 2.313 126 W HA -0.199 4.463 4.660 0.003 0.000 0.293 126 W C 1.083 177.619 176.519 0.028 0.000 1.216 126 W CA 0.094 57.446 57.345 0.012 0.000 1.223 126 W CB -1.099 28.367 29.460 0.011 0.000 1.138 126 W HN 0.630 nan 8.180 nan 0.000 0.535 127 W N 2.473 122.878 121.300 -1.491 0.000 2.302 127 W HA -0.277 4.385 4.660 0.004 0.000 0.320 127 W C 2.913 179.037 176.519 -0.658 0.000 1.241 127 W CA 3.260 59.743 57.345 -1.436 0.000 1.264 127 W CB -1.084 27.623 29.460 -1.255 0.000 1.154 127 W HN -0.055 nan 8.180 nan 0.000 0.483 128 H N -0.453 118.449 119.070 -0.280 0.000 2.387 128 H HA -0.129 4.430 4.556 0.003 0.000 0.299 128 H C 1.803 176.886 175.328 -0.409 0.000 1.090 128 H CA 1.766 57.594 56.048 -0.367 0.000 1.332 128 H CB -0.674 28.772 29.762 -0.527 0.000 1.386 128 H HN 0.292 nan 8.280 nan 0.000 0.516 129 N N 0.753 119.320 118.700 -0.223 0.000 2.333 129 N HA -0.072 4.670 4.740 0.003 0.000 0.178 129 N C 1.516 176.995 175.510 -0.051 0.000 1.018 129 N CA 0.586 53.562 53.050 -0.125 0.000 0.882 129 N CB 0.040 38.482 38.487 -0.075 0.000 0.984 129 N HN 0.552 nan 8.380 nan 0.000 0.434 130 E N -0.364 119.826 120.200 -0.016 0.000 2.415 130 E HA 0.236 4.588 4.350 0.003 0.000 0.197 130 E C 1.200 177.822 176.600 0.036 0.000 1.007 130 E CA 0.152 56.617 56.400 0.108 0.000 0.890 130 E CB 0.820 30.749 29.700 0.382 0.000 0.891 130 E HN 0.286 nan 8.360 nan 0.000 0.496 131 I N -0.339 120.065 120.570 -0.277 0.000 3.674 131 I HA 0.101 4.273 4.170 0.003 0.000 0.248 131 I C 2.201 178.063 176.117 -0.424 0.000 1.134 131 I CA 0.400 61.482 61.300 -0.363 0.000 1.519 131 I CB -0.262 37.264 38.000 -0.789 0.000 1.598 131 I HN -0.041 nan 8.210 nan 0.000 0.442 132 A N 1.026 123.397 122.820 -0.749 0.000 1.859 132 A HA -0.231 4.091 4.320 0.003 0.000 0.217 132 A C 2.303 179.842 177.584 -0.076 0.000 1.198 132 A CA 3.041 54.835 52.037 -0.404 0.000 0.629 132 A CB -1.342 17.474 19.000 -0.306 0.000 0.830 132 A HN 0.430 nan 8.150 nan 0.000 0.446 133 T N 0.279 114.841 114.554 0.014 0.000 2.708 133 T HA -0.066 4.286 4.350 0.003 0.000 0.266 133 T C -0.171 174.570 174.700 0.068 0.000 1.037 133 T CA 1.898 64.097 62.100 0.165 0.000 1.146 133 T CB -1.161 67.918 68.868 0.352 0.000 0.865 133 T HN 0.406 nan 8.240 nan 0.000 0.435 134 P HA -0.011 nan 4.420 nan 0.000 0.218 134 P C 1.659 178.943 177.300 -0.026 0.000 1.149 134 P CA 0.997 63.973 63.100 -0.208 0.000 0.817 134 P CB -0.046 31.155 31.700 -0.832 0.000 0.785 135 Q N -0.743 119.087 119.800 0.050 0.000 2.079 135 Q HA -0.106 4.236 4.340 0.003 0.000 0.200 135 Q C 2.225 178.356 176.000 0.219 0.000 0.974 135 Q CA 1.601 57.566 55.803 0.270 0.000 0.840 135 Q CB -0.686 28.183 28.738 0.219 0.000 0.898 135 Q HN 0.161 nan 8.270 nan 0.000 0.430 136 A N 0.677 123.559 122.820 0.104 0.000 1.877 136 A HA -0.184 4.138 4.320 0.003 0.000 0.216 136 A C 2.003 179.615 177.584 0.046 0.000 1.186 136 A CA 1.114 53.180 52.037 0.049 0.000 0.620 136 A CB -0.560 18.439 19.000 -0.002 0.000 0.822 136 A HN 0.232 nan 8.150 nan 0.000 0.443 137 L N -0.052 121.216 121.223 0.075 0.000 1.989 137 L HA -0.095 4.247 4.340 0.003 0.000 0.211 137 L C 2.758 179.676 176.870 0.080 0.000 1.071 137 L CA 2.093 57.001 54.840 0.113 0.000 0.749 137 L CB -1.363 40.781 42.059 0.143 0.000 0.890 137 L HN 0.399 nan 8.230 nan 0.000 0.431 138 G N -1.488 107.375 108.800 0.106 0.000 2.440 138 G HA2 -0.268 3.694 3.960 0.003 0.000 0.218 138 G HA3 -0.268 3.694 3.960 0.003 0.000 0.218 138 G C 1.543 176.315 174.900 -0.213 0.000 1.154 138 G CA 0.828 45.972 45.100 0.075 0.000 0.767 138 G HN 0.452 nan 8.290 nan 0.000 0.552 139 E N -0.217 119.822 120.200 -0.269 0.000 2.047 139 E HA -0.044 4.308 4.350 0.003 0.000 0.191 139 E C 2.638 179.155 176.600 -0.139 0.000 0.987 139 E CA 0.963 57.149 56.400 -0.357 0.000 0.799 139 E CB -0.162 29.417 29.700 -0.201 0.000 0.752 139 E HN 0.440 nan 8.360 nan 0.000 0.449 140 M N 0.275 119.866 119.600 -0.015 0.000 2.229 140 M HA -0.121 4.361 4.480 0.003 0.000 0.264 140 M C 2.136 178.523 176.300 0.145 0.000 1.063 140 M CA 1.117 56.479 55.300 0.102 0.000 1.114 140 M CB -0.076 32.641 32.600 0.195 0.000 1.387 140 M HN 0.102 nan 8.290 nan 0.000 0.420 141 L N -0.204 121.045 121.223 0.044 0.000 2.109 141 L HA -0.128 4.214 4.340 0.003 0.000 0.207 141 L C 2.320 179.180 176.870 -0.017 0.000 1.086 141 L CA 0.954 55.765 54.840 -0.048 0.000 0.760 141 L CB -0.405 41.581 42.059 -0.122 0.000 0.910 141 L HN 0.294 nan 8.230 nan 0.000 0.437 142 I N -0.358 120.188 120.570 -0.041 0.000 2.252 142 I HA -0.293 3.879 4.170 0.003 0.000 0.245 142 I C 2.397 178.597 176.117 0.138 0.000 1.102 142 I CA 1.189 62.490 61.300 0.003 0.000 1.385 142 I CB -0.142 37.785 38.000 -0.121 0.000 1.064 142 I HN 0.224 nan 8.210 nan 0.000 0.414 143 L N -0.267 121.008 121.223 0.087 0.000 2.042 143 L HA -0.238 4.104 4.340 0.003 0.000 0.210 143 L C 2.501 179.524 176.870 0.256 0.000 1.076 143 L CA 1.150 56.076 54.840 0.143 0.000 0.749 143 L CB -0.436 41.677 42.059 0.090 0.000 0.893 143 L HN 0.298 nan 8.230 nan 0.000 0.432 144 M N -0.608 119.119 119.600 0.210 0.000 2.632 144 M HA -0.118 4.364 4.480 0.003 0.000 0.256 144 M C 1.891 178.301 176.300 0.183 0.000 1.080 144 M CA 1.293 56.731 55.300 0.231 0.000 1.084 144 M CB -0.933 31.774 32.600 0.178 0.000 1.439 144 M HN 0.205 nan 8.290 nan 0.000 0.509 145 R N -1.295 119.285 120.500 0.132 0.000 2.313 145 R HA -0.060 4.282 4.340 0.003 0.000 0.199 145 R C 0.152 176.262 176.300 -0.316 0.000 0.958 145 R CA 0.579 56.615 56.100 -0.106 0.000 1.047 145 R CB 0.176 30.333 30.300 -0.237 0.000 0.955 145 R HN 0.345 nan 8.270 nan 0.000 0.481 146 Y N -1.003 119.341 120.300 0.073 0.000 2.706 146 Y HA 0.353 4.905 4.550 0.003 0.000 0.255 146 Y C 1.019 176.966 175.900 0.078 0.000 1.163 146 Y CA -0.651 57.487 58.100 0.064 0.000 1.174 146 Y CB 0.919 39.408 38.460 0.048 0.000 1.200 146 Y HN -0.044 nan 8.280 nan 0.000 0.544 147 G N -0.107 108.817 108.800 0.207 0.000 2.552 147 G HA2 0.452 4.414 3.960 0.003 0.000 0.318 147 G HA3 0.452 4.414 3.960 0.003 0.000 0.318 147 G C 1.017 175.923 174.900 0.009 0.000 1.240 147 G CA 0.047 45.218 45.100 0.117 0.000 1.002 147 G HN 0.154 nan 8.290 nan 0.000 0.493 148 K N -0.221 120.047 120.400 -0.219 0.000 1.980 148 K HA -0.110 4.212 4.320 0.003 0.000 0.223 148 K C 1.332 177.897 176.600 -0.058 0.000 1.052 148 K CA 2.100 58.279 56.287 -0.179 0.000 0.974 148 K CB -1.250 31.095 32.500 -0.259 0.000 0.734 148 K HN 0.859 nan 8.250 nan 0.000 0.447 149 K N 1.008 121.392 120.400 -0.026 0.000 2.164 149 K HA 0.529 4.851 4.320 0.003 0.000 0.258 149 K C -2.970 173.623 176.600 -0.013 0.000 0.951 149 K CA -2.296 53.876 56.287 -0.192 0.000 0.844 149 K CB 1.924 34.084 32.500 -0.567 0.000 1.099 149 K HN 0.006 nan 8.250 nan 0.000 0.435 150 P HA 0.115 nan 4.420 nan 0.000 0.275 150 P C -0.523 176.935 177.300 0.265 0.000 1.228 150 P CA -0.461 62.711 63.100 0.119 0.000 0.786 150 P CB 0.534 32.247 31.700 0.022 0.000 0.927 151 L N 1.512 122.882 121.223 0.245 0.000 2.467 151 L HA 0.090 4.432 4.340 0.003 0.000 0.270 151 L C 0.931 177.867 176.870 0.110 0.000 1.205 151 L CA -0.194 54.761 54.840 0.193 0.000 0.828 151 L CB -0.022 42.014 42.059 -0.040 0.000 1.101 151 L HN 0.418 nan 8.230 nan 0.000 0.479 152 D N 1.343 121.799 120.400 0.093 0.000 2.520 152 D HA 0.054 4.696 4.640 0.003 0.000 0.243 152 D C 1.152 177.443 176.300 -0.015 0.000 1.160 152 D CA 0.901 54.925 54.000 0.039 0.000 0.877 152 D CB 1.210 42.022 40.800 0.020 0.000 1.150 152 D HN 0.626 nan 8.370 nan 0.000 0.494 153 E N 3.237 123.429 120.200 -0.014 0.000 2.267 153 E HA -0.136 4.216 4.350 0.003 0.000 0.197 153 E C 1.948 178.535 176.600 -0.022 0.000 0.998 153 E CA 1.510 57.895 56.400 -0.024 0.000 0.830 153 E CB -0.629 29.057 29.700 -0.024 0.000 0.751 153 E HN 0.668 nan 8.360 nan 0.000 0.491 154 A N -0.171 122.628 122.820 -0.034 0.000 1.968 154 A HA 0.247 4.569 4.320 0.003 0.000 0.217 154 A C 2.347 179.890 177.584 -0.070 0.000 1.169 154 A CA 1.419 53.432 52.037 -0.039 0.000 0.638 154 A CB -0.203 nan 19.000 nan 0.000 0.812 154 A HN 0.537 nan 8.150 nan 0.000 0.446 155 L N -0.154 121.008 121.223 -0.101 0.000 2.072 155 L HA -0.037 4.305 4.340 0.003 0.000 0.205 155 L C 2.289 179.041 176.870 -0.195 0.000 1.079 155 L CA 1.703 56.440 54.840 -0.172 0.000 0.752 155 L CB -0.433 41.536 42.059 -0.148 0.000 0.906 155 L HN 0.126 nan 8.230 nan 0.000 0.436 156 V N -0.584 119.238 119.914 -0.153 0.000 2.407 156 V HA -0.313 3.809 4.120 0.003 0.000 0.248 156 V C 2.506 178.531 176.094 -0.115 0.000 1.055 156 V CA 2.015 64.219 62.300 -0.161 0.000 1.049 156 V CB -1.019 30.734 31.823 -0.116 0.000 0.662 156 V HN 0.664 nan 8.190 nan 0.000 0.455 157 H N 0.609 119.600 119.070 -0.131 0.000 2.363 157 H HA -0.079 4.479 4.556 0.003 0.000 0.301 157 H C 2.277 177.541 175.328 -0.106 0.000 1.074 157 H CA 1.803 57.789 56.048 -0.102 0.000 1.354 157 H CB 0.028 29.737 29.762 -0.088 0.000 1.397 157 H HN 0.322 nan 8.280 nan 0.000 0.516 158 K N -0.093 120.224 120.400 -0.138 0.000 2.097 158 K HA -0.104 4.218 4.320 0.003 0.000 0.206 158 K C 2.229 178.733 176.600 -0.159 0.000 1.049 158 K CA 1.452 57.601 56.287 -0.230 0.000 0.933 158 K CB -0.037 32.127 32.500 -0.560 0.000 0.717 158 K HN 0.282 nan 8.250 nan 0.000 0.442 159 L N 0.687 121.814 121.223 -0.161 0.000 2.056 159 L HA -0.165 4.177 4.340 0.003 0.000 0.207 159 L C 2.755 179.609 176.870 -0.027 0.000 1.078 159 L CA 1.596 56.428 54.840 -0.013 0.000 0.749 159 L CB -0.962 41.049 42.059 -0.080 0.000 0.901 159 L HN 0.392 nan 8.230 nan 0.000 0.433 160 T N -3.580 110.898 114.554 -0.128 0.000 2.833 160 T HA -0.158 4.194 4.350 0.003 0.000 0.269 160 T C 1.712 176.326 174.700 -0.144 0.000 1.054 160 T CA 0.900 62.922 62.100 -0.131 0.000 1.135 160 T CB -0.203 68.558 68.868 -0.177 0.000 0.869 160 T HN 0.203 nan 8.240 nan 0.000 0.466 161 E N 1.094 121.169 120.200 -0.208 0.000 2.106 161 E HA -0.044 4.308 4.350 0.003 0.000 0.192 161 E C 2.362 178.946 176.600 -0.026 0.000 0.984 161 E CA 0.835 57.147 56.400 -0.148 0.000 0.806 161 E CB -0.309 29.296 29.700 -0.158 0.000 0.750 161 E HN 0.395 nan 8.360 nan 0.000 0.458 162 R N 0.574 121.104 120.500 0.050 0.000 2.237 162 R HA 0.056 4.398 4.340 0.003 0.000 0.219 162 R C 1.949 178.284 176.300 0.058 0.000 1.080 162 R CA 0.725 56.883 56.100 0.096 0.000 0.995 162 R CB -0.355 30.077 30.300 0.220 0.000 0.875 162 R HN 0.126 nan 8.270 nan 0.000 0.462 163 M N -0.088 119.527 119.600 0.025 0.000 2.562 163 M HA 0.020 4.502 4.480 0.003 0.000 0.257 163 M C 0.324 176.623 176.300 -0.001 0.000 1.099 163 M CA 0.832 56.130 55.300 -0.004 0.000 1.099 163 M CB 0.266 32.871 32.600 0.009 0.000 1.427 163 M HN -0.145 nan 8.290 nan 0.000 0.489 164 K N 1.892 122.288 120.400 -0.007 0.000 2.686 164 K HA 0.128 4.450 4.320 0.003 0.000 0.244 164 K C -0.638 176.007 176.600 0.075 0.000 1.262 164 K CA 0.324 56.611 56.287 0.001 0.000 1.199 164 K CB -0.225 32.248 32.500 -0.046 0.000 1.428 164 K HN 0.251 nan 8.250 nan 0.000 0.247 165 R N 0.508 121.094 120.500 0.144 0.000 2.502 165 R HA 0.389 4.731 4.340 0.003 0.000 0.298 165 R C -0.675 175.792 176.300 0.279 0.000 1.018 165 R CA -0.750 55.441 56.100 0.151 0.000 0.899 165 R CB 2.097 32.441 30.300 0.073 0.000 1.181 165 R HN 0.502 nan 8.270 nan 0.000 0.444 166 G N 2.318 111.276 108.800 0.264 0.000 2.906 166 G HA2 -0.129 3.833 3.960 0.003 0.000 0.686 166 G HA3 -0.129 3.833 3.960 0.003 0.000 0.686 166 G C -1.098 173.952 174.900 0.250 0.000 1.170 166 G CA -1.022 44.239 45.100 0.269 0.000 0.775 166 G HN 0.542 nan 8.290 nan 0.000 0.630 167 E N 4.322 124.572 120.200 0.083 0.000 2.220 167 E HA 0.332 4.684 4.350 0.003 0.000 0.256 167 E C -1.563 174.968 176.600 -0.115 0.000 0.881 167 E CA -1.927 54.486 56.400 0.023 0.000 0.766 167 E CB 2.799 32.529 29.700 0.051 0.000 1.187 167 E HN 0.324 nan 8.360 nan 0.000 0.419 168 P HA -0.236 nan 4.420 nan 0.000 0.216 168 P C 0.502 177.689 177.300 -0.189 0.000 1.153 168 P CA 1.450 64.380 63.100 -0.283 0.000 0.858 168 P CB 0.376 31.785 31.700 -0.484 0.000 0.789 169 E N 0.081 120.210 120.200 -0.119 0.000 2.333 169 E HA -0.135 4.217 4.350 0.003 0.000 0.198 169 E C 1.644 178.180 176.600 -0.108 0.000 1.007 169 E CA 0.940 57.273 56.400 -0.112 0.000 0.845 169 E CB -0.637 29.051 29.700 -0.020 0.000 0.766 169 E HN 0.303 nan 8.360 nan 0.000 0.507 170 K N 0.180 120.519 120.400 -0.102 0.000 2.404 170 K HA 0.163 4.485 4.320 0.003 0.000 0.194 170 K C 0.233 176.745 176.600 -0.147 0.000 1.023 170 K CA 0.265 56.482 56.287 -0.117 0.000 1.094 170 K CB 0.555 32.986 32.500 -0.115 0.000 0.841 170 K HN -0.024 nan 8.250 nan 0.000 0.523 171 K N 0.803 121.124 120.400 -0.133 0.000 2.352 171 K HA 0.348 4.670 4.320 0.003 0.000 0.240 171 K C 0.147 176.706 176.600 -0.069 0.000 1.017 171 K CA -0.422 55.797 56.287 -0.114 0.000 0.851 171 K CB 1.859 34.313 32.500 -0.076 0.000 1.261 171 K HN 0.063 nan 8.250 nan 0.000 0.451 172 T N -3.074 111.458 114.554 -0.036 0.000 2.924 172 T HA 0.634 4.986 4.350 0.003 0.000 0.291 172 T C 0.782 175.501 174.700 0.032 0.000 1.045 172 T CA 0.138 62.234 62.100 -0.007 0.000 1.015 172 T CB 1.789 70.633 68.868 -0.039 0.000 1.103 172 T HN 0.731 nan 8.240 nan 0.000 0.496 173 G N 1.695 110.526 108.800 0.051 0.000 2.672 173 G HA2 -0.191 3.771 3.960 0.003 0.000 0.324 173 G HA3 -0.191 3.771 3.960 0.003 0.000 0.324 173 G C 1.355 176.376 174.900 0.201 0.000 1.286 173 G CA 1.296 46.465 45.100 0.115 0.000 1.004 173 G HN 1.874 nan 8.290 nan 0.000 0.548 174 A N -0.487 122.497 122.820 0.274 0.000 1.978 174 A HA -0.079 4.243 4.320 0.003 0.000 0.220 174 A C 2.205 179.946 177.584 0.262 0.000 1.170 174 A CA 2.427 54.642 52.037 0.296 0.000 0.636 174 A CB -0.487 18.755 19.000 0.404 0.000 0.810 174 A HN 0.643 nan 8.150 nan 0.000 0.448 175 N N -0.224 118.632 118.700 0.259 0.000 2.244 175 N HA -0.125 4.617 4.740 0.003 0.000 0.183 175 N C 1.671 177.272 175.510 0.151 0.000 1.016 175 N CA 1.466 54.692 53.050 0.293 0.000 0.866 175 N CB -0.289 38.413 38.487 0.359 0.000 0.980 175 N HN 0.699 nan 8.380 nan 0.000 0.430 176 K N 0.822 121.269 120.400 0.079 0.000 2.057 176 K HA -0.092 4.230 4.320 0.003 0.000 0.206 176 K C 1.956 178.515 176.600 -0.068 0.000 1.050 176 K CA 1.645 57.917 56.287 -0.025 0.000 0.935 176 K CB -0.121 32.368 32.500 -0.017 0.000 0.715 176 K HN 0.276 nan 8.250 nan 0.000 0.439 177 T N -0.638 113.920 114.554 0.007 0.000 2.746 177 T HA -0.148 4.204 4.350 0.003 0.000 0.267 177 T C 1.557 176.202 174.700 -0.091 0.000 1.039 177 T CA 1.502 63.574 62.100 -0.047 0.000 1.142 177 T CB -0.459 68.427 68.868 0.030 0.000 0.866 177 T HN 0.147 nan 8.240 nan 0.000 0.444 178 D N 1.267 121.665 120.400 -0.005 0.000 2.117 178 D HA 0.011 4.653 4.640 0.003 0.000 0.197 178 D C 2.117 178.370 176.300 -0.079 0.000 0.987 178 D CA 0.913 54.911 54.000 -0.004 0.000 0.829 178 D CB -0.302 40.550 40.800 0.087 0.000 0.961 178 D HN 0.463 nan 8.370 nan 0.000 0.460 179 I N 0.947 121.442 120.570 -0.125 0.000 2.202 179 I HA -0.222 3.951 4.170 0.003 0.000 0.242 179 I C 2.470 178.190 176.117 -0.662 0.000 1.091 179 I CA 0.900 61.993 61.300 -0.345 0.000 1.368 179 I CB -0.247 37.616 38.000 -0.228 0.000 1.058 179 I HN -0.089 nan 8.210 nan 0.000 0.410 180 A N 0.725 123.252 122.820 -0.488 0.000 1.978 180 A HA -0.233 4.089 4.320 0.003 0.000 0.220 180 A C 2.245 179.630 177.584 -0.332 0.000 1.170 180 A CA 1.496 53.250 52.037 -0.471 0.000 0.636 180 A CB -0.742 18.008 19.000 -0.416 0.000 0.810 180 A HN 0.395 nan 8.150 nan 0.000 0.448 181 L N 0.243 121.268 121.223 -0.331 0.000 2.046 181 L HA -0.196 4.146 4.340 0.003 0.000 0.208 181 L C 2.422 179.052 176.870 -0.399 0.000 1.077 181 L CA 2.899 57.531 54.840 -0.347 0.000 0.747 181 L CB -0.812 41.077 42.059 -0.284 0.000 0.896 181 L HN 0.757 nan 8.230 nan 0.000 0.432 182 H N -3.976 115.001 119.070 -0.155 0.000 2.502 182 H HA -0.068 4.490 4.556 0.003 0.000 0.283 182 H C 1.914 177.333 175.328 0.151 0.000 1.015 182 H CA 1.341 57.379 56.048 -0.018 0.000 1.298 182 H CB -1.085 28.765 29.762 0.145 0.000 1.411 182 H HN 0.444 nan 8.280 nan 0.000 0.556 183 Y N -0.466 119.728 120.300 -0.175 0.000 2.242 183 Y HA -0.188 4.364 4.550 0.004 0.000 0.291 183 Y C 2.151 178.066 175.900 0.026 0.000 1.137 183 Y CA 0.749 58.843 58.100 -0.010 0.000 1.181 183 Y CB -0.163 38.279 38.460 -0.029 0.000 0.989 183 Y HN 0.312 nan 8.280 nan 0.000 0.527 184 F N -0.132 119.795 119.950 -0.039 0.000 2.095 184 F HA -0.320 4.209 4.527 0.004 0.000 0.298 184 F C 1.838 177.636 175.800 -0.003 0.000 1.104 184 F CA 1.549 59.483 58.000 -0.111 0.000 1.232 184 F CB -1.032 37.811 39.000 -0.261 0.000 0.987 184 F HN 0.067 nan 8.300 nan 0.000 0.475 185 Y N -0.097 120.162 120.300 -0.069 0.000 2.145 185 Y HA -0.273 4.279 4.550 0.003 0.000 0.286 185 Y C 2.816 178.615 175.900 -0.168 0.000 1.145 185 Y CA 1.133 59.114 58.100 -0.197 0.000 1.148 185 Y CB -0.572 37.900 38.460 0.019 0.000 0.981 185 Y HN 0.028 nan 8.280 nan 0.000 0.507 186 R N 0.909 121.471 120.500 0.104 0.000 2.091 186 R HA -0.197 4.145 4.340 0.003 0.000 0.238 186 R C 2.363 178.629 176.300 -0.056 0.000 1.136 186 R CA 1.397 57.504 56.100 0.012 0.000 0.959 186 R CB -0.485 29.812 30.300 -0.005 0.000 0.856 186 R HN 0.293 nan 8.270 nan 0.000 0.437 187 A N 0.749 123.525 122.820 -0.074 0.000 1.933 187 A HA -0.118 4.204 4.320 0.003 0.000 0.218 187 A C 2.159 179.662 177.584 -0.135 0.000 1.175 187 A CA 1.334 53.317 52.037 -0.090 0.000 0.628 187 A CB -0.463 18.495 19.000 -0.069 0.000 0.814 187 A HN 0.373 nan 8.150 nan 0.000 0.444 188 L N -1.052 120.039 121.223 -0.219 0.000 2.072 188 L HA -0.094 4.248 4.340 0.003 0.000 0.205 188 L C 2.486 179.280 176.870 -0.126 0.000 1.079 188 L CA 0.802 55.513 54.840 -0.215 0.000 0.752 188 L CB -0.488 41.370 42.059 -0.336 0.000 0.906 188 L HN 0.333 nan 8.230 nan 0.000 0.436 189 L N -0.404 120.757 121.223 -0.103 0.000 2.093 189 L HA -0.142 4.200 4.340 0.003 0.000 0.208 189 L C 2.431 179.264 176.870 -0.061 0.000 1.085 189 L CA 1.729 56.524 54.840 -0.076 0.000 0.755 189 L CB -0.610 41.409 42.059 -0.066 0.000 0.904 189 L HN 0.420 nan 8.230 nan 0.000 0.435 190 T N -5.487 109.033 114.554 -0.057 0.000 3.086 190 T HA 0.120 4.472 4.350 0.003 0.000 0.250 190 T C 0.835 175.518 174.700 -0.029 0.000 1.074 190 T CA 0.295 62.375 62.100 -0.035 0.000 0.988 190 T CB 0.235 69.083 68.868 -0.034 0.000 0.988 190 T HN 0.154 nan 8.240 nan 0.000 0.530 191 S N 1.654 117.329 115.700 -0.042 0.000 3.682 191 S HA -0.133 4.340 4.470 0.003 0.000 0.354 191 S C -0.314 174.277 174.600 -0.015 0.000 1.034 191 S CA 0.709 58.891 58.200 -0.029 0.000 1.084 191 S CB -1.621 61.567 63.200 -0.020 0.000 0.903 191 S HN 0.806 nan 8.310 nan 0.000 0.470 192 D N 0.976 121.363 120.400 -0.022 0.000 2.485 192 D HA 0.249 4.891 4.640 0.003 0.000 0.229 192 D C 1.149 177.455 176.300 0.011 0.000 1.101 192 D CA -0.546 53.451 54.000 -0.006 0.000 0.906 192 D CB 0.589 41.379 40.800 -0.017 0.000 1.019 192 D HN 0.151 nan 8.370 nan 0.000 0.516 193 E N 2.078 122.300 120.200 0.036 0.000 2.204 193 E HA -0.145 4.207 4.350 0.003 0.000 0.195 193 E C 1.646 178.309 176.600 0.105 0.000 0.990 193 E CA 0.619 57.067 56.400 0.080 0.000 0.821 193 E CB -0.042 29.727 29.700 0.114 0.000 0.750 193 E HN 0.588 nan 8.360 nan 0.000 0.477 194 A N 1.430 124.296 122.820 0.078 0.000 1.873 194 A HA -0.078 4.244 4.320 0.003 0.000 0.215 194 A C 2.267 179.919 177.584 0.113 0.000 1.186 194 A CA 0.898 52.987 52.037 0.087 0.000 0.616 194 A CB -0.686 18.340 19.000 0.043 0.000 0.823 194 A HN 0.269 nan 8.150 nan 0.000 0.442 195 L N -0.874 120.396 121.223 0.079 0.000 2.131 195 L HA -0.131 4.211 4.340 0.003 0.000 0.210 195 L C 2.435 179.418 176.870 0.188 0.000 1.092 195 L CA 1.442 56.357 54.840 0.126 0.000 0.759 195 L CB -0.224 41.859 42.059 0.040 0.000 0.903 195 L HN 0.455 nan 8.230 nan 0.000 0.435 196 L N -0.545 120.729 121.223 0.085 0.000 2.017 196 L HA -0.193 4.149 4.340 0.003 0.000 0.208 196 L C 2.542 179.429 176.870 0.029 0.000 1.073 196 L CA 2.110 56.952 54.840 0.003 0.000 0.745 196 L CB -0.655 41.319 42.059 -0.141 0.000 0.894 196 L HN 0.145 nan 8.230 nan 0.000 0.432 197 S N -0.681 115.106 115.700 0.144 0.000 2.399 197 S HA -0.194 4.278 4.470 0.003 0.000 0.231 197 S C 1.767 176.490 174.600 0.204 0.000 1.022 197 S CA 1.511 59.864 58.200 0.254 0.000 0.983 197 S CB -0.708 62.678 63.200 0.311 0.000 0.803 197 S HN 0.553 nan 8.310 nan 0.000 0.480 198 F N 2.749 122.740 119.950 0.069 0.000 2.084 198 F HA -0.027 4.502 4.527 0.004 0.000 0.296 198 F C 2.361 178.168 175.800 0.011 0.000 1.111 198 F CA 0.949 58.977 58.000 0.048 0.000 1.224 198 F CB -0.988 38.053 39.000 0.068 0.000 0.991 198 F HN 0.161 nan 8.300 nan 0.000 0.471 199 A N 0.310 123.134 122.820 0.007 0.000 1.873 199 A HA -0.197 4.125 4.320 0.003 0.000 0.218 199 A C 2.341 179.749 177.584 -0.294 0.000 1.193 199 A CA 2.537 54.488 52.037 -0.143 0.000 0.629 199 A CB -1.532 17.532 19.000 0.106 0.000 0.826 199 A HN 0.304 nan 8.150 nan 0.000 0.447 200 V N 0.441 120.224 119.914 -0.219 0.000 2.282 200 V HA -0.328 3.794 4.120 0.003 0.000 0.249 200 V C 2.600 178.489 176.094 -0.341 0.000 1.057 200 V CA 2.594 64.665 62.300 -0.381 0.000 1.032 200 V CB -0.731 30.997 31.823 -0.157 0.000 0.645 200 V HN 0.743 nan 8.190 nan 0.000 0.447 201 K N -0.354 119.954 120.400 -0.153 0.000 2.057 201 K HA -0.214 4.108 4.320 0.003 0.000 0.207 201 K C 2.169 178.683 176.600 -0.144 0.000 1.049 201 K CA 1.583 57.831 56.287 -0.065 0.000 0.931 201 K CB -0.121 32.363 32.500 -0.027 0.000 0.714 201 K HN 0.373 nan 8.250 nan 0.000 0.440 202 E N 0.858 120.826 120.200 -0.386 0.000 2.150 202 E HA -0.163 4.189 4.350 0.003 0.000 0.193 202 E C 2.011 178.471 176.600 -0.235 0.000 0.985 202 E CA 0.706 56.858 56.400 -0.413 0.000 0.814 202 E CB -0.063 29.196 29.700 -0.736 0.000 0.752 202 E HN 0.378 nan 8.360 nan 0.000 0.466 203 L N -0.571 120.464 121.223 -0.313 0.000 2.095 203 L HA -0.014 4.328 4.340 0.003 0.000 0.204 203 L C 1.975 178.805 176.870 -0.068 0.000 1.080 203 L CA 0.838 55.505 54.840 -0.289 0.000 0.759 203 L CB -0.097 41.634 42.059 -0.547 0.000 0.914 203 L HN 0.056 nan 8.230 nan 0.000 0.439 204 F N -2.225 117.675 119.950 -0.083 0.000 2.811 204 F HA -0.134 4.395 4.527 0.003 0.000 0.301 204 F C 1.971 177.780 175.800 0.015 0.000 1.151 204 F CA -0.306 57.660 58.000 -0.057 0.000 1.412 204 F CB 0.014 38.973 39.000 -0.069 0.000 1.113 204 F HN 0.177 nan 8.300 nan 0.000 0.579 205 Y N 2.632 122.982 120.300 0.083 0.000 2.114 205 Y HA -0.121 4.431 4.550 0.004 0.000 0.284 205 Y C -0.966 174.953 175.900 0.031 0.000 1.143 205 Y CA 1.449 59.565 58.100 0.027 0.000 1.135 205 Y CB -1.637 36.799 38.460 -0.039 0.000 0.980 205 Y HN -0.097 nan 8.280 nan 0.000 0.499 206 P HA -0.105 nan 4.420 nan 0.000 0.231 206 P C 0.094 177.369 177.300 -0.041 0.000 1.158 206 P CA 1.059 64.137 63.100 -0.037 0.000 0.763 206 P CB -0.099 31.695 31.700 0.158 0.000 0.805 207 V N 1.349 121.301 119.914 0.063 0.000 1.984 207 V HA 0.047 4.169 4.120 0.003 0.000 0.272 207 V C 0.597 176.545 176.094 -0.243 0.000 1.706 207 V CA 0.470 62.794 62.300 0.041 0.000 1.644 207 V CB -1.985 29.863 31.823 0.043 0.000 1.509 207 V HN 0.285 nan 8.190 nan 0.000 0.511 208 Q N 0.036 119.586 119.800 -0.416 0.000 2.522 208 Q HA 0.589 4.931 4.340 0.003 0.000 0.285 208 Q C -1.419 174.173 176.000 -0.681 0.000 0.982 208 Q CA -0.991 54.472 55.803 -0.567 0.000 0.805 208 Q CB 1.435 29.934 28.738 -0.399 0.000 1.457 208 Q HN 0.177 nan 8.270 nan 0.000 0.394 209 F N 1.104 120.768 119.950 -0.477 0.000 2.427 209 F HA 0.520 5.049 4.527 0.004 0.000 0.352 209 F C 0.458 175.928 175.800 -0.550 0.000 1.100 209 F CA -0.564 56.967 58.000 -0.783 0.000 1.191 209 F CB 1.503 39.531 39.000 -1.620 0.000 1.128 209 F HN 0.456 nan 8.300 nan 0.000 0.533 210 V N -0.134 119.678 119.914 -0.170 0.000 3.001 210 V HA 0.451 4.573 4.120 0.003 0.000 0.314 210 V C -0.945 175.286 176.094 0.228 0.000 1.099 210 V CA -0.907 61.424 62.300 0.052 0.000 0.989 210 V CB 1.833 33.622 31.823 -0.056 0.000 1.040 210 V HN 0.860 nan 8.190 nan 0.000 0.434 211 H N 2.128 121.293 119.070 0.159 0.000 2.690 211 H HA 0.367 4.925 4.556 0.003 0.000 0.289 211 H C 0.026 175.427 175.328 0.123 0.000 1.089 211 H CA -0.061 56.052 56.048 0.110 0.000 1.299 211 H CB 0.150 29.975 29.762 0.105 0.000 1.405 211 H HN 0.868 nan 8.280 nan 0.000 0.463 212 Y N 0.839 121.177 120.300 0.064 0.000 4.522 212 Y HA -0.430 4.121 4.550 0.003 0.000 0.299 212 Y C 0.874 176.721 175.900 -0.088 0.000 1.035 212 Y CA 1.523 59.579 58.100 -0.073 0.000 2.036 212 Y CB -0.897 37.443 38.460 -0.201 0.000 1.132 212 Y HN 0.716 nan 8.280 nan 0.000 0.471 213 E N 2.470 122.699 120.200 0.048 0.000 2.392 213 E HA 0.233 4.585 4.350 0.003 0.000 0.259 213 E C -0.173 176.371 176.600 -0.094 0.000 1.108 213 E CA -0.460 55.933 56.400 -0.011 0.000 0.916 213 E CB 0.475 30.174 29.700 -0.002 0.000 0.989 213 E HN 0.305 nan 8.360 nan 0.000 0.432 214 E N 0.723 120.849 120.200 -0.124 0.000 2.653 214 E HA 0.176 4.528 4.350 0.003 0.000 0.264 214 E C 0.351 176.750 176.600 -0.336 0.000 0.949 214 E CA 1.253 57.516 56.400 -0.228 0.000 0.953 214 E CB 0.209 29.803 29.700 -0.178 0.000 0.925 214 E HN 0.776 nan 8.360 nan 0.000 0.475 215 G N 1.384 109.801 108.800 -0.639 0.000 2.298 215 G HA2 -0.075 3.887 3.960 0.003 0.000 0.309 215 G HA3 -0.075 3.887 3.960 0.003 0.000 0.309 215 G C -1.454 172.886 174.900 -0.934 0.000 1.279 215 G CA -0.841 43.772 45.100 -0.812 0.000 1.042 215 G HN 0.437 nan 8.290 nan 0.000 0.480 216 L N 1.223 122.065 121.223 -0.635 0.000 2.360 216 L HA 0.526 4.868 4.340 0.003 0.000 0.276 216 L C 0.694 177.391 176.870 -0.288 0.000 1.121 216 L CA -0.192 54.391 54.840 -0.429 0.000 0.845 216 L CB 0.758 42.539 42.059 -0.463 0.000 1.143 216 L HN 0.598 nan 8.230 nan 0.000 0.452 217 Q N 3.537 123.230 119.800 -0.179 0.000 2.199 217 Q HA 0.113 4.455 4.340 0.003 0.000 0.232 217 Q C 0.396 176.320 176.000 -0.126 0.000 0.969 217 Q CA -0.324 55.394 55.803 -0.141 0.000 0.925 217 Q CB 0.475 29.098 28.738 -0.192 0.000 1.198 217 Q HN 0.661 nan 8.270 nan 0.000 0.494 218 Y N 0.972 121.111 120.300 -0.268 0.000 2.421 218 Y HA -0.173 4.379 4.550 0.003 0.000 0.292 218 Y C 1.632 177.311 175.900 -0.368 0.000 1.136 218 Y CA 1.527 59.322 58.100 -0.508 0.000 1.255 218 Y CB 0.160 38.253 38.460 -0.612 0.000 0.991 218 Y HN 0.627 nan 8.280 nan 0.000 0.552 219 D N -2.368 117.795 120.400 -0.395 0.000 2.328 219 D HA -0.159 4.483 4.640 0.003 0.000 0.226 219 D C -0.034 176.365 176.300 0.166 0.000 1.066 219 D CA 0.005 53.594 54.000 -0.684 0.000 0.861 219 D CB -0.854 38.904 40.800 -1.736 0.000 0.912 219 D HN 0.427 nan 8.370 nan 0.000 0.521 220 Y N -0.286 120.103 120.300 0.148 0.000 4.841 220 Y HA -0.317 4.235 4.550 0.003 0.000 0.242 220 Y C 0.914 177.170 175.900 0.594 0.000 1.002 220 Y CA 0.636 58.990 58.100 0.422 0.000 2.011 220 Y CB -2.236 36.454 38.460 0.383 0.000 1.554 220 Y HN 0.258 nan 8.280 nan 0.000 0.618 221 S N -0.820 115.187 115.700 0.511 0.000 2.661 221 S HA 0.606 5.078 4.470 0.003 0.000 0.265 221 S C -0.765 173.977 174.600 0.237 0.000 1.225 221 S CA -0.301 58.075 58.200 0.293 0.000 0.986 221 S CB 1.907 65.129 63.200 0.037 0.000 1.008 221 S HN 0.329 nan 8.310 nan 0.000 0.565 222 Y N -0.210 120.105 120.300 0.026 0.000 2.386 222 Y HA 0.627 5.179 4.550 0.003 0.000 0.334 222 Y C -1.537 174.304 175.900 -0.098 0.000 1.002 222 Y CA -0.965 57.064 58.100 -0.119 0.000 1.068 222 Y CB 1.138 39.500 38.460 -0.164 0.000 1.203 222 Y HN 0.729 nan 8.280 nan 0.000 0.443 223 L N 5.673 126.522 121.223 -0.624 0.000 2.362 223 L HA 0.685 5.028 4.340 0.003 0.000 0.271 223 L C -1.058 175.540 176.870 -0.454 0.000 1.002 223 L CA -0.961 53.665 54.840 -0.356 0.000 0.818 223 L CB 2.248 44.175 42.059 -0.220 0.000 1.298 223 L HN 0.609 nan 8.230 nan 0.000 0.420 224 Q N 1.360 121.031 119.800 -0.214 0.000 2.340 224 Q HA 0.386 4.728 4.340 0.003 0.000 0.276 224 Q C -1.215 174.714 176.000 -0.117 0.000 1.048 224 Q CA -0.444 55.210 55.803 -0.248 0.000 0.832 224 Q CB 1.381 29.892 28.738 -0.378 0.000 1.373 224 Q HN 0.608 nan 8.270 nan 0.000 0.409 225 H N 2.040 120.963 119.070 -0.245 0.000 3.113 225 H HA -0.099 4.459 4.556 0.003 0.000 0.358 225 H C 0.229 175.521 175.328 -0.059 0.000 1.239 225 H CA 0.257 56.221 56.048 -0.140 0.000 1.199 225 H CB -1.103 28.630 29.762 -0.047 0.000 1.577 225 H HN 1.239 nan 8.280 nan 0.000 0.430 226 G N 1.498 110.310 108.800 0.021 0.000 2.796 226 G HA2 -0.229 3.733 3.960 0.003 0.000 0.226 226 G HA3 -0.229 3.733 3.960 0.003 0.000 0.226 226 G C -2.370 172.536 174.900 0.010 0.000 1.381 226 G CA -0.408 44.700 45.100 0.014 0.000 0.867 226 G HN 0.333 nan 8.290 nan 0.000 0.552 227 P HA 0.136 nan 4.420 nan 0.000 0.230 227 P C -0.337 176.992 177.300 0.049 0.000 1.791 227 P CA 0.540 63.673 63.100 0.055 0.000 1.020 227 P CB 0.221 32.004 31.700 0.138 0.000 1.977 228 Q N 2.272 122.085 119.800 0.021 0.000 2.333 228 Q HA 0.314 4.656 4.340 0.003 0.000 0.268 228 Q C -0.674 175.328 176.000 0.003 0.000 1.007 228 Q CA -1.200 54.622 55.803 0.031 0.000 0.810 228 Q CB 1.269 30.051 28.738 0.072 0.000 1.264 228 Q HN 0.120 nan 8.270 nan 0.000 0.452 229 L N 4.228 125.441 121.223 -0.017 0.000 2.640 229 L HA -0.088 4.254 4.340 0.003 0.000 0.280 229 L C -0.698 176.164 176.870 -0.013 0.000 1.229 229 L CA 1.539 56.340 54.840 -0.065 0.000 0.919 229 L CB 0.224 42.189 42.059 -0.157 0.000 1.168 229 L HN 0.709 nan 8.230 nan 0.000 0.496 230 Q N 6.122 125.955 119.800 0.054 0.000 3.112 230 Q HA 0.151 4.493 4.340 0.003 0.000 0.300 230 Q C 0.654 176.805 176.000 0.252 0.000 0.760 230 Q CA -0.334 55.575 55.803 0.177 0.000 0.979 230 Q CB 0.569 29.508 28.738 0.334 0.000 1.512 230 Q HN 0.672 nan 8.270 nan 0.000 0.378 231 I N -0.491 120.150 120.570 0.118 0.000 2.226 231 I HA -0.140 4.032 4.170 0.003 0.000 0.245 231 I C 1.564 177.872 176.117 0.319 0.000 1.100 231 I CA 1.342 62.777 61.300 0.225 0.000 1.374 231 I CB -0.407 37.593 38.000 -0.001 0.000 1.057 231 I HN 0.197 nan 8.210 nan 0.000 0.413 232 S N -1.333 114.492 115.700 0.209 0.000 2.496 232 S HA 0.381 4.853 4.470 0.003 0.000 0.260 232 S C 1.062 175.753 174.600 0.151 0.000 1.122 232 S CA 0.538 58.910 58.200 0.287 0.000 1.019 232 S CB 0.873 64.189 63.200 0.194 0.000 1.226 232 S HN 0.458 nan 8.310 nan 0.000 0.502 233 S N -0.430 115.313 115.700 0.070 0.000 4.112 233 S HA -0.321 4.151 4.470 0.003 0.000 0.602 233 S C 1.105 175.639 174.600 -0.109 0.000 1.939 233 S CA 1.951 60.105 58.200 -0.077 0.000 4.230 233 S CB -2.209 60.955 63.200 -0.061 0.000 0.245 233 S HN 0.741 nan 8.310 nan 0.000 0.530 234 Y N 1.958 122.282 120.300 0.040 0.000 2.224 234 Y HA 0.023 4.575 4.550 0.003 0.000 0.289 234 Y C 2.773 178.629 175.900 -0.073 0.000 1.146 234 Y CA 1.420 59.551 58.100 0.051 0.000 1.182 234 Y CB -0.936 37.606 38.460 0.137 0.000 0.983 234 Y HN 0.623 nan 8.280 nan 0.000 0.524 235 G N -0.375 108.427 108.800 0.002 0.000 2.450 235 G HA2 -0.244 3.718 3.960 0.003 0.000 0.220 235 G HA3 -0.244 3.718 3.960 0.003 0.000 0.220 235 G C 1.834 176.681 174.900 -0.088 0.000 1.130 235 G CA 0.928 45.797 45.100 -0.385 0.000 0.760 235 G HN 0.481 nan 8.290 nan 0.000 0.557 236 A N -0.020 122.788 122.820 -0.019 0.000 1.929 236 A HA 0.206 4.528 4.320 0.003 0.000 0.216 236 A C 2.546 180.059 177.584 -0.117 0.000 1.176 236 A CA 1.478 53.439 52.037 -0.126 0.000 0.628 236 A CB -0.330 18.662 19.000 -0.013 0.000 0.816 236 A HN 0.225 nan 8.150 nan 0.000 0.444 237 V N -0.905 118.989 119.914 -0.033 0.000 2.358 237 V HA -0.206 3.916 4.120 0.003 0.000 0.246 237 V C 2.247 178.346 176.094 0.008 0.000 1.047 237 V CA 1.928 64.234 62.300 0.011 0.000 1.035 237 V CB -1.006 30.876 31.823 0.100 0.000 0.658 237 V HN 0.647 nan 8.190 nan 0.000 0.452 238 F N 1.000 120.845 119.950 -0.174 0.000 2.065 238 F HA -0.231 4.298 4.527 0.003 0.000 0.298 238 F C 2.111 177.817 175.800 -0.157 0.000 1.112 238 F CA 1.775 59.648 58.000 -0.212 0.000 1.212 238 F CB -0.440 38.248 39.000 -0.519 0.000 0.975 238 F HN 0.067 nan 8.300 nan 0.000 0.476 239 I N -0.218 120.175 120.570 -0.295 0.000 2.163 239 I HA -0.365 3.807 4.170 0.003 0.000 0.243 239 I C 2.336 178.259 176.117 -0.324 0.000 1.085 239 I CA 1.934 63.041 61.300 -0.322 0.000 1.347 239 I CB -0.964 36.739 38.000 -0.496 0.000 1.044 239 I HN 0.200 nan 8.210 nan 0.000 0.408 240 T N 0.434 114.822 114.554 -0.277 0.000 2.635 240 T HA -0.180 4.172 4.350 0.003 0.000 0.267 240 T C 1.861 176.419 174.700 -0.238 0.000 1.040 240 T CA 1.734 63.701 62.100 -0.221 0.000 1.156 240 T CB -0.865 67.926 68.868 -0.128 0.000 0.863 240 T HN 0.609 nan 8.240 nan 0.000 0.430 241 G N 0.818 109.488 108.800 -0.217 0.000 2.433 241 G HA2 -0.183 3.779 3.960 0.003 0.000 0.216 241 G HA3 -0.183 3.779 3.960 0.003 0.000 0.216 241 G C 1.737 176.436 174.900 -0.335 0.000 1.186 241 G CA 0.970 45.931 45.100 -0.231 0.000 0.779 241 G HN 0.435 nan 8.290 nan 0.000 0.543 242 V N 0.625 120.282 119.914 -0.429 0.000 2.343 242 V HA -0.135 3.987 4.120 0.003 0.000 0.247 242 V C 2.716 178.444 176.094 -0.609 0.000 1.051 242 V CA 1.640 63.651 62.300 -0.482 0.000 1.036 242 V CB -0.447 30.904 31.823 -0.787 0.000 0.654 242 V HN 0.330 nan 8.190 nan 0.000 0.451 243 L N 1.141 121.949 121.223 -0.691 0.000 2.017 243 L HA -0.202 4.140 4.340 0.003 0.000 0.208 243 L C 2.652 179.234 176.870 -0.479 0.000 1.073 243 L CA 2.320 56.800 54.840 -0.599 0.000 0.745 243 L CB -0.824 41.025 42.059 -0.350 0.000 0.894 243 L HN 0.485 nan 8.230 nan 0.000 0.432 244 K N -1.154 118.960 120.400 -0.478 0.000 2.097 244 K HA -0.186 4.136 4.320 0.003 0.000 0.205 244 K C 2.124 178.145 176.600 -0.964 0.000 1.050 244 K CA 1.656 57.516 56.287 -0.712 0.000 0.938 244 K CB -0.929 31.246 32.500 -0.541 0.000 0.718 244 K HN 0.283 nan 8.250 nan 0.000 0.442 245 L N 1.981 122.845 121.223 -0.598 0.000 2.017 245 L HA -0.053 4.289 4.340 0.003 0.000 0.208 245 L C 2.612 179.364 176.870 -0.197 0.000 1.073 245 L CA 2.022 56.572 54.840 -0.484 0.000 0.745 245 L CB -0.834 40.875 42.059 -0.584 0.000 0.894 245 L HN 0.315 nan 8.230 nan 0.000 0.432 246 A N -0.442 122.322 122.820 -0.093 0.000 1.948 246 A HA -0.316 4.006 4.320 0.003 0.000 0.220 246 A C 2.198 179.724 177.584 -0.097 0.000 1.177 246 A CA 2.115 54.121 52.037 -0.051 0.000 0.636 246 A CB -1.056 17.771 19.000 -0.287 0.000 0.815 246 A HN 0.639 nan 8.150 nan 0.000 0.449 247 N N -1.257 117.306 118.700 -0.227 0.000 2.142 247 N HA -0.140 4.602 4.740 0.003 0.000 0.186 247 N C 1.558 177.068 175.510 -0.000 0.000 1.023 247 N CA 1.917 54.867 53.050 -0.167 0.000 0.852 247 N CB -0.483 37.836 38.487 -0.280 0.000 0.998 247 N HN 0.688 nan 8.380 nan 0.000 0.424 248 Y N -0.361 119.947 120.300 0.013 0.000 2.200 248 Y HA -0.101 4.451 4.550 0.004 0.000 0.290 248 Y C 1.959 177.932 175.900 0.120 0.000 1.137 248 Y CA 0.893 59.044 58.100 0.085 0.000 1.163 248 Y CB 0.021 38.563 38.460 0.136 0.000 0.988 248 Y HN 0.037 nan 8.280 nan 0.000 0.518 249 V N 0.012 120.083 119.914 0.260 0.000 3.577 249 V HA 0.120 4.242 4.120 0.003 0.000 0.294 249 V C 0.681 176.897 176.094 0.203 0.000 1.317 249 V CA -0.437 62.019 62.300 0.259 0.000 1.169 249 V CB -1.140 30.856 31.823 0.289 0.000 1.011 249 V HN 0.181 nan 8.190 nan 0.000 0.426 250 R N 0.532 121.116 120.500 0.140 0.000 2.623 250 R HA 0.102 4.444 4.340 0.003 0.000 0.271 250 R C -0.136 176.224 176.300 0.101 0.000 1.043 250 R CA 0.597 56.753 56.100 0.093 0.000 1.083 250 R CB -0.217 30.116 30.300 0.055 0.000 0.974 250 R HN 0.431 nan 8.270 nan 0.000 0.436 251 D N 0.144 120.591 120.400 0.080 0.000 2.800 251 D HA -0.155 4.487 4.640 0.003 0.000 0.232 251 D C -0.476 175.875 176.300 0.085 0.000 1.137 251 D CA 1.885 55.927 54.000 0.070 0.000 0.718 251 D CB -1.134 39.703 40.800 0.063 0.000 1.084 251 D HN 0.891 nan 8.370 nan 0.000 0.432 252 T N -4.508 110.109 114.554 0.106 0.000 2.864 252 T HA 0.538 4.890 4.350 0.003 0.000 0.299 252 T C -2.138 172.591 174.700 0.049 0.000 1.166 252 T CA -1.275 60.895 62.100 0.116 0.000 1.007 252 T CB 3.144 72.158 68.868 0.243 0.000 1.219 252 T HN -0.339 nan 8.240 nan 0.000 0.506 253 P HA -0.088 nan 4.420 nan 0.000 0.224 253 P C 0.440 177.578 177.300 -0.269 0.000 1.142 253 P CA 1.060 64.018 63.100 -0.236 0.000 0.778 253 P CB -0.259 31.207 31.700 -0.391 0.000 0.764 254 Y N -0.280 120.087 120.300 0.110 0.000 2.462 254 Y HA 0.400 4.952 4.550 0.003 0.000 0.261 254 Y C 1.700 177.711 175.900 0.186 0.000 1.146 254 Y CA -0.507 57.679 58.100 0.144 0.000 1.283 254 Y CB -0.647 37.901 38.460 0.148 0.000 1.090 254 Y HN -0.113 nan 8.280 nan 0.000 0.526 255 A N 1.186 124.148 122.820 0.237 0.000 2.587 255 A HA 0.044 4.366 4.320 0.003 0.000 0.233 255 A C 0.021 177.655 177.584 0.084 0.000 1.049 255 A CA -0.379 51.753 52.037 0.159 0.000 0.754 255 A CB -0.179 18.871 19.000 0.084 0.000 0.977 255 A HN 0.353 nan 8.150 nan 0.000 0.509 256 L N 2.844 124.025 121.223 -0.070 0.000 2.485 256 L HA 0.235 4.577 4.340 0.003 0.000 0.275 256 L C 1.164 177.921 176.870 -0.189 0.000 1.207 256 L CA 1.140 55.752 54.840 -0.380 0.000 0.855 256 L CB 0.320 41.979 42.059 -0.667 0.000 1.114 256 L HN 0.904 nan 8.230 nan 0.000 0.485 257 S N 1.665 117.261 115.700 -0.173 0.000 2.584 257 S HA 0.114 4.586 4.470 0.003 0.000 0.270 257 S C 1.415 175.978 174.600 -0.060 0.000 1.346 257 S CA -0.015 58.140 58.200 -0.075 0.000 1.018 257 S CB 0.534 63.706 63.200 -0.048 0.000 0.899 257 S HN 0.857 nan 8.310 nan 0.000 0.542 258 T N -0.070 114.477 114.554 -0.012 0.000 2.652 258 T HA -0.189 4.163 4.350 0.003 0.000 0.267 258 T C 1.304 176.022 174.700 0.029 0.000 1.039 258 T CA 1.624 63.734 62.100 0.018 0.000 1.153 258 T CB -1.017 67.871 68.868 0.034 0.000 0.863 258 T HN 0.703 nan 8.240 nan 0.000 0.428 259 E N 1.774 121.990 120.200 0.026 0.000 2.068 259 E HA -0.147 4.205 4.350 0.003 0.000 0.207 259 E C 2.339 178.952 176.600 0.023 0.000 1.032 259 E CA 1.693 58.116 56.400 0.040 0.000 0.839 259 E CB -0.297 29.419 29.700 0.026 0.000 0.758 259 E HN 0.591 nan 8.360 nan 0.000 0.457 260 K N 0.105 120.481 120.400 -0.040 0.000 2.097 260 K HA -0.083 4.239 4.320 0.003 0.000 0.206 260 K C 2.089 178.676 176.600 -0.021 0.000 1.049 260 K CA 0.766 57.005 56.287 -0.080 0.000 0.933 260 K CB -0.243 32.137 32.500 -0.200 0.000 0.717 260 K HN 0.108 nan 8.250 nan 0.000 0.442 261 L N 1.267 122.476 121.223 -0.024 0.000 2.046 261 L HA -0.127 4.215 4.340 0.003 0.000 0.208 261 L C 2.223 179.217 176.870 0.207 0.000 1.077 261 L CA 1.914 56.797 54.840 0.071 0.000 0.747 261 L CB -1.090 40.994 42.059 0.042 0.000 0.896 261 L HN 0.115 nan 8.230 nan 0.000 0.432 262 A N 0.137 123.053 122.820 0.159 0.000 1.902 262 A HA -0.187 4.135 4.320 0.003 0.000 0.217 262 A C 2.240 179.945 177.584 0.202 0.000 1.181 262 A CA 1.722 53.866 52.037 0.178 0.000 0.623 262 A CB -0.567 18.530 19.000 0.162 0.000 0.818 262 A HN 0.500 nan 8.150 nan 0.000 0.443 263 I N -1.704 118.992 120.570 0.211 0.000 2.179 263 I HA -0.227 3.945 4.170 0.003 0.000 0.242 263 I C 2.380 178.696 176.117 0.331 0.000 1.088 263 I CA 1.719 63.184 61.300 0.275 0.000 1.357 263 I CB -0.394 37.627 38.000 0.036 0.000 1.051 263 I HN 0.484 nan 8.210 nan 0.000 0.409 264 F N 1.159 121.192 119.950 0.138 0.000 2.095 264 F HA -0.288 4.242 4.527 0.004 0.000 0.298 264 F C 2.787 178.749 175.800 0.270 0.000 1.104 264 F CA 1.948 60.042 58.000 0.157 0.000 1.232 264 F CB -0.568 38.412 39.000 -0.033 0.000 0.987 264 F HN -0.018 nan 8.300 nan 0.000 0.475 265 S N 0.032 115.767 115.700 0.059 0.000 2.359 265 S HA -0.294 4.178 4.470 0.003 0.000 0.224 265 S C 2.280 176.799 174.600 -0.135 0.000 1.035 265 S CA 1.814 60.020 58.200 0.010 0.000 1.018 265 S CB -0.631 62.657 63.200 0.147 0.000 0.876 265 S HN 0.580 nan 8.310 nan 0.000 0.448 266 K N -0.955 119.400 120.400 -0.075 0.000 2.097 266 K HA -0.152 4.170 4.320 0.003 0.000 0.205 266 K C 2.090 178.638 176.600 -0.087 0.000 1.050 266 K CA 1.502 57.686 56.287 -0.172 0.000 0.938 266 K CB -0.463 31.932 32.500 -0.176 0.000 0.718 266 K HN 0.554 nan 8.250 nan 0.000 0.442 267 Y N 0.344 120.711 120.300 0.112 0.000 2.145 267 Y HA -0.289 4.263 4.550 0.003 0.000 0.286 267 Y C 1.950 177.945 175.900 0.159 0.000 1.145 267 Y CA 1.796 60.052 58.100 0.260 0.000 1.148 267 Y CB -0.552 38.118 38.460 0.350 0.000 0.981 267 Y HN 0.191 nan 8.280 nan 0.000 0.507 268 Y N 0.474 120.605 120.300 -0.281 0.000 2.145 268 Y HA -0.286 4.266 4.550 0.003 0.000 0.286 268 Y C 2.527 178.331 175.900 -0.161 0.000 1.145 268 Y CA 1.451 59.384 58.100 -0.279 0.000 1.148 268 Y CB -0.063 38.176 38.460 -0.367 0.000 0.981 268 Y HN 0.094 nan 8.280 nan 0.000 0.507 269 R N -0.085 120.302 120.500 -0.188 0.000 2.055 269 R HA -0.121 4.221 4.340 0.003 0.000 0.226 269 R C 1.733 177.835 176.300 -0.330 0.000 1.135 269 R CA 1.522 57.394 56.100 -0.381 0.000 0.959 269 R CB -0.213 29.712 30.300 -0.626 0.000 0.854 269 R HN 0.349 nan 8.270 nan 0.000 0.431 270 D N -0.273 119.929 120.400 -0.329 0.000 2.194 270 D HA -0.009 4.633 4.640 0.003 0.000 0.204 270 D C 1.695 177.897 176.300 -0.163 0.000 0.964 270 D CA 1.135 54.936 54.000 -0.333 0.000 0.846 270 D CB 0.171 40.745 40.800 -0.377 0.000 0.962 270 D HN 0.046 nan 8.370 nan 0.000 0.490 271 S N -0.533 115.097 115.700 -0.117 0.000 2.384 271 S HA -0.024 4.448 4.470 0.003 0.000 0.217 271 S C 1.781 176.352 174.600 -0.048 0.000 1.041 271 S CA -0.098 58.121 58.200 0.033 0.000 0.948 271 S CB -0.214 62.967 63.200 -0.033 0.000 0.872 271 S HN 0.231 nan 8.310 nan 0.000 0.512 272 Y N 2.541 122.651 120.300 -0.317 0.000 2.092 272 Y HA 0.025 4.578 4.550 0.004 0.000 0.282 272 Y C 1.975 177.855 175.900 -0.032 0.000 1.126 272 Y CA 1.430 59.454 58.100 -0.128 0.000 1.111 272 Y CB -0.515 37.914 38.460 -0.052 0.000 0.987 272 Y HN 0.089 nan 8.280 nan 0.000 0.489 273 L N 0.280 121.528 121.223 0.041 0.000 2.191 273 L HA -0.214 4.128 4.340 0.003 0.000 0.212 273 L C 2.109 178.882 176.870 -0.162 0.000 1.103 273 L CA 1.416 56.203 54.840 -0.087 0.000 0.769 273 L CB -0.438 41.559 42.059 -0.103 0.000 0.908 273 L HN 0.213 nan 8.230 nan 0.000 0.438 274 K N -0.155 120.148 120.400 -0.161 0.000 2.486 274 K HA 0.048 4.370 4.320 0.003 0.000 0.194 274 K C 1.792 178.350 176.600 -0.071 0.000 1.033 274 K CA 0.674 56.868 56.287 -0.154 0.000 1.004 274 K CB 0.120 32.492 32.500 -0.213 0.000 0.798 274 K HN 0.228 nan 8.250 nan 0.000 0.495 275 A N 0.944 123.713 122.820 -0.084 0.000 2.251 275 A HA 0.140 4.462 4.320 0.003 0.000 0.209 275 A C 0.749 178.285 177.584 -0.080 0.000 1.187 275 A CA 0.076 52.088 52.037 -0.041 0.000 0.823 275 A CB -0.011 18.949 19.000 -0.065 0.000 0.846 275 A HN 0.091 nan 8.150 nan 0.000 0.486 276 I N 0.630 121.128 120.570 -0.120 0.000 2.321 276 I HA 0.335 4.507 4.170 0.003 0.000 0.291 276 I C 0.056 176.164 176.117 -0.014 0.000 0.998 276 I CA -0.798 60.455 61.300 -0.078 0.000 1.227 276 I CB 1.386 39.309 38.000 -0.128 0.000 1.368 276 I HN 0.048 nan 8.210 nan 0.000 0.466 277 R N 5.233 125.766 120.500 0.056 0.000 2.215 277 R HA 0.591 4.933 4.340 0.003 0.000 0.336 277 R C 0.517 176.881 176.300 0.108 0.000 0.996 277 R CA 0.650 56.799 56.100 0.081 0.000 0.847 277 R CB 0.525 30.901 30.300 0.127 0.000 1.127 277 R HN 0.875 nan 8.270 nan 0.000 0.465 278 G N 2.602 111.443 108.800 0.068 0.000 2.675 278 G HA2 -0.361 3.601 3.960 0.003 0.000 0.312 278 G HA3 -0.361 3.601 3.960 0.003 0.000 0.312 278 G C 0.446 175.357 174.900 0.019 0.000 1.186 278 G CA 0.523 45.666 45.100 0.071 0.000 0.965 278 G HN 0.582 nan 8.290 nan 0.000 0.548 279 S N 0.120 115.819 115.700 -0.001 0.000 2.603 279 S HA 0.460 4.932 4.470 0.003 0.000 0.232 279 S C -0.311 173.995 174.600 -0.490 0.000 1.016 279 S CA 0.045 58.089 58.200 -0.260 0.000 0.976 279 S CB 0.486 63.436 63.200 -0.416 0.000 0.921 279 S HN 0.457 nan 8.310 nan 0.000 0.516 280 Y N 1.282 121.572 120.300 -0.018 0.000 2.352 280 Y HA 0.629 5.181 4.550 0.004 0.000 0.339 280 Y C 0.002 175.924 175.900 0.035 0.000 0.992 280 Y CA -1.341 56.767 58.100 0.013 0.000 1.100 280 Y CB 0.781 39.270 38.460 0.049 0.000 1.192 280 Y HN 0.045 nan 8.280 nan 0.000 0.458 281 M N 2.898 122.588 119.600 0.150 0.000 2.250 281 M HA 0.186 4.668 4.480 0.003 0.000 0.344 281 M C -0.385 175.992 176.300 0.129 0.000 1.150 281 M CA -0.276 55.065 55.300 0.068 0.000 1.147 281 M CB 0.458 33.067 32.600 0.016 0.000 1.498 281 M HN 0.627 nan 8.290 nan 0.000 0.461 282 D N 3.204 123.627 120.400 0.038 0.000 2.417 282 D HA -0.035 4.607 4.640 0.003 0.000 0.250 282 D C 0.582 176.864 176.300 -0.030 0.000 1.166 282 D CA 0.057 54.037 54.000 -0.034 0.000 0.881 282 D CB 0.236 41.008 40.800 -0.047 0.000 1.164 282 D HN 0.530 nan 8.370 nan 0.000 0.467 283 F N 3.086 123.069 119.950 0.055 0.000 2.451 283 F HA 0.008 4.537 4.527 0.003 0.000 0.299 283 F C 1.430 177.240 175.800 0.016 0.000 1.101 283 F CA 0.154 58.178 58.000 0.040 0.000 1.436 283 F CB -0.721 38.291 39.000 0.020 0.000 1.074 283 F HN 0.210 nan 8.300 nan 0.000 0.553 284 N N 1.219 119.803 118.700 -0.194 0.000 2.381 284 N HA -0.084 4.658 4.740 0.003 0.000 0.182 284 N C 1.739 177.136 175.510 -0.187 0.000 1.025 284 N CA 1.680 54.650 53.050 -0.134 0.000 0.888 284 N CB -0.036 38.296 38.487 -0.259 0.000 0.965 284 N HN 0.507 nan 8.380 nan 0.000 0.438 285 V N -2.136 117.667 119.914 -0.185 0.000 3.271 285 V HA 0.323 4.445 4.120 0.003 0.000 0.327 285 V C 0.861 176.933 176.094 -0.037 0.000 1.389 285 V CA 0.105 62.289 62.300 -0.193 0.000 1.156 285 V CB 0.273 31.938 31.823 -0.263 0.000 1.103 285 V HN -0.111 nan 8.190 nan 0.000 0.453 286 E N 1.480 121.698 120.200 0.030 0.000 2.476 286 E HA 0.330 4.682 4.350 0.003 0.000 0.196 286 E C 1.495 178.122 176.600 0.044 0.000 1.029 286 E CA 0.637 57.070 56.400 0.055 0.000 0.896 286 E CB 0.739 30.496 29.700 0.094 0.000 1.012 286 E HN 0.825 nan 8.360 nan 0.000 0.475 287 G N 2.931 111.762 108.800 0.052 0.000 2.574 287 G HA2 -0.431 3.531 3.960 0.003 0.000 0.282 287 G HA3 -0.431 3.531 3.960 0.003 0.000 0.282 287 G C 0.829 175.773 174.900 0.072 0.000 1.257 287 G CA 0.662 45.801 45.100 0.065 0.000 0.956 287 G HN 0.409 nan 8.290 nan 0.000 0.560 288 R N 0.523 121.062 120.500 0.065 0.000 2.237 288 R HA 0.177 4.519 4.340 0.003 0.000 0.219 288 R C 2.407 178.731 176.300 0.040 0.000 1.080 288 R CA 1.818 57.947 56.100 0.048 0.000 0.995 288 R CB -0.630 29.697 30.300 0.045 0.000 0.875 288 R HN 1.039 nan 8.270 nan 0.000 0.462 289 G N 0.951 109.762 108.800 0.018 0.000 2.708 289 G HA2 -0.137 3.825 3.960 0.003 0.000 0.210 289 G HA3 -0.137 3.825 3.960 0.003 0.000 0.210 289 G C 1.220 176.161 174.900 0.069 0.000 1.141 289 G CA 0.316 45.423 45.100 0.011 0.000 0.788 289 G HN 0.235 nan 8.290 nan 0.000 0.531 290 V N 1.653 121.637 119.914 0.117 0.000 2.759 290 V HA -0.092 4.030 4.120 0.003 0.000 0.256 290 V C 2.615 178.849 176.094 0.233 0.000 1.080 290 V CA 2.356 64.765 62.300 0.182 0.000 1.101 290 V CB -0.166 31.798 31.823 0.235 0.000 0.698 290 V HN 0.474 nan 8.190 nan 0.000 0.477 291 S N -0.480 115.346 115.700 0.210 0.000 2.671 291 S HA 0.243 4.715 4.470 0.003 0.000 0.220 291 S C 0.733 175.515 174.600 0.302 0.000 0.951 291 S CA -0.373 57.991 58.200 0.274 0.000 0.932 291 S CB -0.298 62.968 63.200 0.110 0.000 0.777 291 S HN 0.622 nan 8.310 nan 0.000 0.508 292 R N 1.787 122.357 120.500 0.116 0.000 2.428 292 R HA 0.475 4.817 4.340 0.003 0.000 0.294 292 R C -2.986 172.981 176.300 -0.554 0.000 1.000 292 R CA -2.355 53.611 56.100 -0.223 0.000 0.960 292 R CB 0.401 30.621 30.300 -0.133 0.000 1.076 292 R HN 0.136 nan 8.270 nan 0.000 0.475 293 P HA -0.056 nan 4.420 nan 0.000 0.265 293 P C -0.713 176.275 177.300 -0.520 0.000 1.193 293 P CA 0.489 62.710 63.100 -1.466 0.000 0.765 293 P CB 0.438 31.235 31.700 -1.506 0.000 0.823 294 D N 0.695 120.947 120.400 -0.247 0.000 3.006 294 D HA -0.227 4.415 4.640 0.003 0.000 0.208 294 D C 1.051 177.478 176.300 0.211 0.000 1.116 294 D CA 0.622 54.680 54.000 0.095 0.000 0.998 294 D CB -1.545 39.319 40.800 0.107 0.000 1.124 294 D HN 0.308 nan 8.370 nan 0.000 0.413 295 I N 0.761 121.389 120.570 0.097 0.000 2.248 295 I HA -0.240 3.932 4.170 0.003 0.000 0.248 295 I C 2.112 178.352 176.117 0.205 0.000 1.107 295 I CA 1.545 62.916 61.300 0.119 0.000 1.373 295 I CB -0.138 37.911 38.000 0.082 0.000 1.055 295 I HN 0.235 nan 8.210 nan 0.000 0.418 296 L N 0.066 121.492 121.223 0.338 0.000 2.465 296 L HA -0.072 4.270 4.340 0.003 0.000 0.224 296 L C 0.829 177.867 176.870 0.280 0.000 1.145 296 L CA 0.147 55.212 54.840 0.373 0.000 0.834 296 L CB -1.046 41.333 42.059 0.534 0.000 0.944 296 L HN 0.285 nan 8.230 nan 0.000 0.451 297 N N 1.669 120.520 118.700 0.251 0.000 2.405 297 N HA -0.008 4.734 4.740 0.003 0.000 0.260 297 N C 0.062 175.478 175.510 -0.156 0.000 1.152 297 N CA 0.299 53.240 53.050 -0.182 0.000 0.948 297 N CB 0.626 39.056 38.487 -0.094 0.000 1.111 297 N HN -0.042 nan 8.380 nan 0.000 0.485 298 K N 3.543 123.780 120.400 -0.271 0.000 2.699 298 K HA 0.158 4.480 4.320 0.003 0.000 0.210 298 K C 0.669 177.182 176.600 -0.144 0.000 1.076 298 K CA -0.184 56.029 56.287 -0.122 0.000 1.109 298 K CB 0.376 32.843 32.500 -0.055 0.000 0.862 298 K HN 0.548 nan 8.250 nan 0.000 0.470 299 K N 0.422 120.697 120.400 -0.207 0.000 2.283 299 K HA -0.024 4.298 4.320 0.003 0.000 0.202 299 K C 1.406 177.964 176.600 -0.069 0.000 1.048 299 K CA 1.072 57.265 56.287 -0.156 0.000 0.948 299 K CB 0.131 32.531 32.500 -0.167 0.000 0.742 299 K HN 0.093 nan 8.250 nan 0.000 0.458 300 A N 0.864 123.660 122.820 -0.041 0.000 2.337 300 A HA 0.003 4.325 4.320 0.003 0.000 0.227 300 A C 1.529 179.125 177.584 0.021 0.000 1.259 300 A CA 0.189 52.221 52.037 -0.008 0.000 0.870 300 A CB -0.041 18.958 19.000 -0.001 0.000 0.927 300 A HN 0.115 nan 8.150 nan 0.000 0.497 301 E N 1.783 122.006 120.200 0.037 0.000 2.204 301 E HA -0.225 4.127 4.350 0.003 0.000 0.195 301 E C 1.916 178.567 176.600 0.084 0.000 0.990 301 E CA 1.731 58.189 56.400 0.098 0.000 0.821 301 E CB -0.291 29.490 29.700 0.136 0.000 0.750 301 E HN 0.769 nan 8.360 nan 0.000 0.477 302 K N -0.335 120.090 120.400 0.042 0.000 2.280 302 K HA -0.130 4.192 4.320 0.003 0.000 0.202 302 K C 2.217 178.827 176.600 0.016 0.000 1.047 302 K CA 1.692 57.996 56.287 0.028 0.000 0.942 302 K CB -0.403 32.103 32.500 0.011 0.000 0.739 302 K HN 0.080 nan 8.250 nan 0.000 0.457 303 K N 2.206 122.616 120.400 0.016 0.000 2.103 303 K HA -0.109 4.213 4.320 0.003 0.000 0.207 303 K C 2.079 178.676 176.600 -0.006 0.000 1.048 303 K CA 1.762 58.051 56.287 0.003 0.000 0.930 303 K CB -0.634 31.869 32.500 0.005 0.000 0.716 303 K HN 0.465 nan 8.250 nan 0.000 0.444 304 R N -0.596 119.915 120.500 0.019 0.000 2.112 304 R HA 0.282 4.624 4.340 0.003 0.000 0.216 304 R C 2.539 178.851 176.300 0.019 0.000 1.080 304 R CA 0.734 56.843 56.100 0.015 0.000 0.996 304 R CB -0.242 30.078 30.300 0.033 0.000 0.902 304 R HN 0.316 nan 8.270 nan 0.000 0.449 305 L N 0.626 121.874 121.223 0.041 0.000 2.083 305 L HA -0.199 4.143 4.340 0.003 0.000 0.209 305 L C 2.123 178.891 176.870 -0.171 0.000 1.083 305 L CA 0.792 55.587 54.840 -0.074 0.000 0.752 305 L CB -0.387 41.684 42.059 0.020 0.000 0.899 305 L HN 0.142 nan 8.230 nan 0.000 0.433 306 L N -0.629 120.542 121.223 -0.087 0.000 2.079 306 L HA -0.176 4.166 4.340 0.003 0.000 0.210 306 L C 2.407 179.198 176.870 -0.132 0.000 1.081 306 L CA 1.527 56.316 54.840 -0.085 0.000 0.752 306 L CB -0.756 41.277 42.059 -0.044 0.000 0.896 306 L HN 0.013 nan 8.230 nan 0.000 0.433 307 V N -0.779 119.050 119.914 -0.142 0.000 2.379 307 V HA -0.176 3.946 4.120 0.003 0.000 0.245 307 V C 2.682 178.628 176.094 -0.245 0.000 1.044 307 V CA 1.257 63.464 62.300 -0.156 0.000 1.036 307 V CB -1.053 30.686 31.823 -0.140 0.000 0.664 307 V HN 0.468 nan 8.190 nan 0.000 0.453 308 A N -0.194 122.402 122.820 -0.373 0.000 1.940 308 A HA -0.290 4.032 4.320 0.003 0.000 0.219 308 A C 2.336 179.393 177.584 -0.878 0.000 1.176 308 A CA 2.239 53.871 52.037 -0.675 0.000 0.631 308 A CB -0.517 17.745 19.000 -1.230 0.000 0.814 308 A HN 0.491 nan 8.150 nan 0.000 0.446 309 K N -1.049 118.894 120.400 -0.762 0.000 2.283 309 K HA -0.020 4.302 4.320 0.003 0.000 0.202 309 K C 1.875 178.397 176.600 -0.129 0.000 1.048 309 K CA 1.206 57.252 56.287 -0.402 0.000 0.948 309 K CB -0.187 32.236 32.500 -0.129 0.000 0.742 309 K HN 0.575 nan 8.250 nan 0.000 0.458 310 M N -0.118 119.398 119.600 -0.140 0.000 2.248 310 M HA -0.026 4.456 4.480 0.003 0.000 0.265 310 M C 1.918 178.197 176.300 -0.035 0.000 1.079 310 M CA 1.174 56.438 55.300 -0.059 0.000 1.150 310 M CB 0.035 32.600 32.600 -0.059 0.000 1.366 310 M HN 0.068 nan 8.290 nan 0.000 0.433 311 I N -0.622 119.908 120.570 -0.066 0.000 2.584 311 I HA -0.106 4.066 4.170 0.003 0.000 0.255 311 I C 0.380 176.533 176.117 0.059 0.000 1.145 311 I CA 0.680 61.967 61.300 -0.022 0.000 1.462 311 I CB 0.001 37.961 38.000 -0.066 0.000 1.102 311 I HN 0.137 nan 8.210 nan 0.000 0.433 312 D N 0.360 120.830 120.400 0.117 0.000 2.434 312 D HA 0.210 4.852 4.640 0.003 0.000 0.275 312 D C 0.705 177.234 176.300 0.381 0.000 1.172 312 D CA -0.290 53.901 54.000 0.319 0.000 0.916 312 D CB 0.729 41.872 40.800 0.571 0.000 1.041 312 D HN -0.139 nan 8.370 nan 0.000 0.501 313 L N 2.111 123.462 121.223 0.214 0.000 2.275 313 L HA 0.004 4.346 4.340 0.003 0.000 0.215 313 L C 2.153 179.092 176.870 0.116 0.000 1.119 313 L CA 1.184 56.122 54.840 0.163 0.000 0.790 313 L CB -0.355 41.757 42.059 0.088 0.000 0.919 313 L HN 0.329 nan 8.230 nan 0.000 0.443 314 K N -0.910 119.542 120.400 0.087 0.000 2.280 314 K HA -0.113 4.209 4.320 0.003 0.000 0.202 314 K C 0.328 176.668 176.600 -0.433 0.000 1.047 314 K CA 1.081 57.272 56.287 -0.159 0.000 0.942 314 K CB -0.144 32.234 32.500 -0.203 0.000 0.739 314 K HN 0.461 nan 8.250 nan 0.000 0.457 315 H N -0.932 118.155 119.070 0.028 0.000 2.528 315 H HA 0.155 4.713 4.556 0.003 0.000 0.256 315 H C 0.726 175.965 175.328 -0.150 0.000 1.204 315 H CA -0.249 55.679 56.048 -0.199 0.000 0.955 315 H CB 0.571 30.010 29.762 -0.539 0.000 1.817 315 H HN 0.004 nan 8.280 nan 0.000 0.579 316 T N -0.466 114.179 114.554 0.153 0.000 2.665 316 T HA -0.274 4.078 4.350 0.003 0.000 0.268 316 T C 1.911 176.687 174.700 0.128 0.000 1.035 316 T CA 1.868 64.107 62.100 0.232 0.000 1.151 316 T CB 0.166 69.113 68.868 0.132 0.000 0.862 316 T HN 0.589 nan 8.240 nan 0.000 0.438 317 E N 0.885 121.096 120.200 0.018 0.000 2.058 317 E HA -0.205 4.147 4.350 0.003 0.000 0.194 317 E C 2.236 178.806 176.600 -0.049 0.000 0.997 317 E CA 1.282 57.675 56.400 -0.011 0.000 0.801 317 E CB -0.045 29.626 29.700 -0.049 0.000 0.746 317 E HN 0.591 nan 8.360 nan 0.000 0.450 318 E N -0.494 119.608 120.200 -0.163 0.000 2.110 318 E HA -0.187 4.165 4.350 0.003 0.000 0.193 318 E C 1.820 178.300 176.600 -0.201 0.000 0.988 318 E CA 1.217 57.455 56.400 -0.271 0.000 0.804 318 E CB -0.181 29.236 29.700 -0.471 0.000 0.745 318 E HN 0.467 nan 8.360 nan 0.000 0.458 319 W N 0.762 122.032 121.300 -0.050 0.000 2.358 319 W HA -0.152 4.510 4.660 0.004 0.000 0.303 319 W C 2.604 179.098 176.519 -0.043 0.000 1.208 319 W CA 0.486 57.788 57.345 -0.072 0.000 1.274 319 W CB -0.164 29.274 29.460 -0.037 0.000 1.138 319 W HN 0.092 nan 8.180 nan 0.000 0.515 320 A N 0.692 123.639 122.820 0.211 0.000 1.877 320 A HA -0.230 4.092 4.320 0.003 0.000 0.216 320 A C 1.646 179.300 177.584 0.116 0.000 1.186 320 A CA 2.149 54.267 52.037 0.135 0.000 0.620 320 A CB -0.924 18.141 19.000 0.108 0.000 0.822 320 A HN 0.172 nan 8.150 nan 0.000 0.443 321 D N 0.215 120.678 120.400 0.105 0.000 2.117 321 D HA -0.075 4.567 4.640 0.003 0.000 0.197 321 D C 2.196 178.561 176.300 0.109 0.000 0.987 321 D CA 1.540 55.631 54.000 0.151 0.000 0.829 321 D CB -0.499 40.329 40.800 0.048 0.000 0.961 321 D HN 0.443 nan 8.370 nan 0.000 0.460 322 A N 0.809 123.659 122.820 0.050 0.000 1.902 322 A HA -0.125 4.197 4.320 0.003 0.000 0.217 322 A C 2.395 180.007 177.584 0.047 0.000 1.181 322 A CA 0.802 52.857 52.037 0.030 0.000 0.623 322 A CB -0.693 18.315 19.000 0.014 0.000 0.818 322 A HN 0.169 nan 8.150 nan 0.000 0.443 323 I N -0.222 120.388 120.570 0.067 0.000 2.163 323 I HA -0.318 3.854 4.170 0.003 0.000 0.243 323 I C 3.028 179.155 176.117 0.016 0.000 1.085 323 I CA 1.128 62.454 61.300 0.044 0.000 1.347 323 I CB -0.417 37.612 38.000 0.048 0.000 1.044 323 I HN 0.374 nan 8.210 nan 0.000 0.408 324 A N 0.913 123.744 122.820 0.018 0.000 1.873 324 A HA -0.250 4.072 4.320 0.003 0.000 0.218 324 A C 2.411 179.971 177.584 -0.040 0.000 1.193 324 A CA 1.829 53.843 52.037 -0.038 0.000 0.629 324 A CB -0.675 18.276 19.000 -0.082 0.000 0.826 324 A HN 0.331 nan 8.150 nan 0.000 0.447 325 R N -0.885 119.624 120.500 0.015 0.000 2.070 325 R HA -0.107 4.235 4.340 0.003 0.000 0.233 325 R C 2.570 178.864 176.300 -0.010 0.000 1.137 325 R CA 2.025 58.135 56.100 0.017 0.000 0.945 325 R CB -0.915 29.415 30.300 0.050 0.000 0.845 325 R HN 0.776 nan 8.270 nan 0.000 0.430 326 T N -1.334 113.212 114.554 -0.015 0.000 2.821 326 T HA -0.131 4.221 4.350 0.003 0.000 0.267 326 T C 1.496 176.161 174.700 -0.058 0.000 1.046 326 T CA 1.535 63.608 62.100 -0.044 0.000 1.139 326 T CB -0.159 68.695 68.868 -0.025 0.000 0.871 326 T HN 0.037 nan 8.240 nan 0.000 0.454 327 D N 0.968 121.345 120.400 -0.039 0.000 2.340 327 D HA 0.123 4.765 4.640 0.003 0.000 0.220 327 D C 0.388 176.661 176.300 -0.045 0.000 1.039 327 D CA 0.225 54.200 54.000 -0.042 0.000 0.866 327 D CB -0.560 40.223 40.800 -0.029 0.000 0.913 327 D HN 0.327 nan 8.370 nan 0.000 0.523 328 S N -0.469 115.204 115.700 -0.046 0.000 3.386 328 S HA -0.202 4.270 4.470 0.003 0.000 0.403 328 S C 1.020 175.583 174.600 -0.062 0.000 0.893 328 S CA 0.869 59.042 58.200 -0.046 0.000 1.336 328 S CB -1.452 61.731 63.200 -0.028 0.000 0.925 328 S HN 0.494 nan 8.310 nan 0.000 0.589 329 T N -1.220 113.278 114.554 -0.094 0.000 3.054 329 T HA 0.499 4.851 4.350 0.003 0.000 0.255 329 T C 0.662 175.256 174.700 -0.176 0.000 1.035 329 T CA 0.441 62.473 62.100 -0.114 0.000 0.941 329 T CB 0.365 69.164 68.868 -0.116 0.000 1.026 329 T HN 1.349 nan 8.240 nan 0.000 0.533 330 V N -2.423 117.375 119.914 -0.194 0.000 3.182 330 V HA 0.970 5.092 4.120 0.003 0.000 0.308 330 V C -0.223 175.813 176.094 -0.097 0.000 1.240 330 V CA -1.669 60.482 62.300 -0.248 0.000 1.063 330 V CB 1.087 32.541 31.823 -0.616 0.000 1.076 330 V HN 0.312 nan 8.190 nan 0.000 0.446 331 A N 0.404 123.203 122.820 -0.035 0.000 2.366 331 A HA 0.753 5.075 4.320 0.003 0.000 0.249 331 A C 1.659 179.281 177.584 0.063 0.000 1.084 331 A CA 0.248 52.300 52.037 0.026 0.000 0.794 331 A CB 0.390 19.418 19.000 0.045 0.000 1.034 331 A HN 2.306 nan 8.150 nan 0.000 0.491 332 A N 1.052 123.908 122.820 0.061 0.000 1.986 332 A HA 0.024 4.346 4.320 0.003 0.000 0.220 332 A C 1.848 179.473 177.584 0.068 0.000 1.171 332 A CA 2.187 54.265 52.037 0.069 0.000 0.640 332 A CB -0.870 18.175 19.000 0.076 0.000 0.811 332 A HN 1.552 nan 8.150 nan 0.000 0.451 333 G N -2.706 106.135 108.800 0.069 0.000 3.284 333 G HA2 0.261 4.223 3.960 0.003 0.000 0.236 333 G HA3 0.261 4.223 3.960 0.003 0.000 0.236 333 G C 0.205 175.136 174.900 0.052 0.000 1.158 333 G CA -0.262 44.861 45.100 0.038 0.000 0.774 333 G HN 0.427 nan 8.290 nan 0.000 0.545 334 Y N 2.084 122.364 120.300 -0.034 0.000 2.802 334 Y HA 0.041 4.593 4.550 0.003 0.000 0.333 334 Y C 1.278 177.145 175.900 -0.055 0.000 1.244 334 Y CA 0.166 58.243 58.100 -0.038 0.000 1.558 334 Y CB 0.114 38.555 38.460 -0.031 0.000 1.233 334 Y HN 0.358 nan 8.280 nan 0.000 0.547 335 K N 4.052 124.129 120.400 -0.538 0.000 3.020 335 K HA -0.213 4.109 4.320 0.003 0.000 0.266 335 K C -0.627 175.808 176.600 -0.276 0.000 1.067 335 K CA 0.529 56.524 56.287 -0.486 0.000 0.780 335 K CB -1.249 30.834 32.500 -0.695 0.000 1.220 335 K HN 0.447 nan 8.250 nan 0.000 0.483 336 I N 2.331 122.785 120.570 -0.194 0.000 2.379 336 I HA 0.066 4.238 4.170 0.003 0.000 0.290 336 I C 0.988 177.002 176.117 -0.171 0.000 1.063 336 I CA 0.297 61.495 61.300 -0.171 0.000 1.351 336 I CB 0.740 38.659 38.000 -0.136 0.000 1.410 336 I HN 0.054 nan 8.210 nan 0.000 0.505 337 E N 7.886 127.980 120.200 -0.177 0.000 2.283 337 E HA 0.378 4.730 4.350 0.003 0.000 0.271 337 E C -2.234 174.274 176.600 -0.152 0.000 1.031 337 E CA -1.925 54.383 56.400 -0.153 0.000 0.868 337 E CB 0.804 30.421 29.700 -0.138 0.000 1.094 337 E HN 0.244 nan 8.360 nan 0.000 0.401 338 P HA -0.012 nan 4.420 nan 0.000 0.263 338 P C -1.104 176.102 177.300 -0.157 0.000 1.195 338 P CA 0.744 63.708 63.100 -0.227 0.000 0.762 338 P CB -0.006 31.546 31.700 -0.247 0.000 0.799 339 Y N 2.845 122.920 120.300 -0.374 0.000 2.581 339 Y HA 0.604 5.156 4.550 0.004 0.000 0.337 339 Y C -1.379 174.345 175.900 -0.294 0.000 1.108 339 Y CA -0.953 56.970 58.100 -0.296 0.000 1.033 339 Y CB 1.922 40.229 38.460 -0.254 0.000 1.318 339 Y HN 0.463 nan 8.280 nan 0.000 0.459 340 H N 2.696 121.140 119.070 -1.042 0.000 3.086 340 H HA 0.485 5.043 4.556 0.004 0.000 0.353 340 H C -2.228 172.582 175.328 -0.863 0.000 1.134 340 H CA -0.510 55.086 56.048 -0.754 0.000 1.248 340 H CB 1.258 30.761 29.762 -0.432 0.000 1.878 340 H HN 0.782 nan 8.280 nan 0.000 0.527 341 H N 2.658 121.086 119.070 -1.070 0.000 3.083 341 H HA 0.268 4.826 4.556 0.003 0.000 0.339 341 H C -1.569 173.354 175.328 -0.676 0.000 1.020 341 H CA -0.673 54.921 56.048 -0.757 0.000 1.360 341 H CB 1.542 30.863 29.762 -0.735 0.000 1.811 341 H HN 0.604 nan 8.280 nan 0.000 0.493 342 Q N 4.804 124.134 119.800 -0.783 0.000 2.331 342 Q HA 0.306 4.648 4.340 0.003 0.000 0.257 342 Q C -1.444 174.147 176.000 -0.681 0.000 0.957 342 Q CA -0.392 55.114 55.803 -0.495 0.000 0.923 342 Q CB 0.182 28.851 28.738 -0.114 0.000 1.212 342 Q HN 0.505 nan 8.270 nan 0.000 0.443 343 F N 5.256 124.943 119.950 -0.438 0.000 2.464 343 F HA 0.162 4.691 4.527 0.003 0.000 0.353 343 F C 0.498 176.185 175.800 -0.189 0.000 1.191 343 F CA -0.531 57.242 58.000 -0.379 0.000 1.147 343 F CB 0.017 38.948 39.000 -0.115 0.000 1.294 343 F HN 0.773 nan 8.300 nan 0.000 0.583 344 W N 1.437 122.771 121.300 0.056 0.000 2.392 344 W HA -0.125 4.537 4.660 0.003 0.000 0.279 344 W C 0.865 177.481 176.519 0.162 0.000 1.225 344 W CA 1.263 58.666 57.345 0.097 0.000 1.233 344 W CB -1.013 28.493 29.460 0.076 0.000 1.122 344 W HN 0.326 nan 8.180 nan 0.000 0.561 345 N N 0.201 118.733 118.700 -0.281 0.000 2.290 345 N HA 0.059 4.801 4.740 0.003 0.000 0.179 345 N C 2.094 177.613 175.510 0.015 0.000 1.016 345 N CA 1.175 54.081 53.050 -0.239 0.000 0.871 345 N CB -0.604 37.508 38.487 -0.624 0.000 0.987 345 N HN 0.307 nan 8.380 nan 0.000 0.431 346 G N -0.170 108.644 108.800 0.023 0.000 2.813 346 G HA2 -0.077 3.885 3.960 0.003 0.000 0.209 346 G HA3 -0.077 3.885 3.960 0.003 0.000 0.209 346 G C -0.314 174.666 174.900 0.133 0.000 1.150 346 G CA -0.069 45.073 45.100 0.070 0.000 0.785 346 G HN 0.088 nan 8.290 nan 0.000 0.535 347 D N -1.620 118.892 120.400 0.187 0.000 2.737 347 D HA -0.182 4.460 4.640 0.003 0.000 0.238 347 D C -0.725 175.689 176.300 0.191 0.000 1.157 347 D CA 1.091 55.197 54.000 0.177 0.000 0.694 347 D CB -1.170 39.715 40.800 0.143 0.000 1.021 347 D HN 0.484 nan 8.370 nan 0.000 0.420 348 Y N -1.113 119.219 120.300 0.052 0.000 2.552 348 Y HA 0.542 5.094 4.550 0.004 0.000 0.337 348 Y C -1.858 174.124 175.900 0.136 0.000 1.094 348 Y CA -1.035 57.071 58.100 0.011 0.000 1.028 348 Y CB 1.673 40.066 38.460 -0.113 0.000 1.321 348 Y HN -0.095 nan 8.280 nan 0.000 0.456 349 V N 5.931 125.583 119.914 -0.437 0.000 2.733 349 V HA 0.557 4.679 4.120 0.003 0.000 0.306 349 V C -1.708 173.971 176.094 -0.692 0.000 1.084 349 V CA -0.304 61.697 62.300 -0.499 0.000 0.905 349 V CB 2.093 33.714 31.823 -0.336 0.000 1.010 349 V HN 0.915 nan 8.190 nan 0.000 0.424 350 Q N 4.034 123.465 119.800 -0.615 0.000 2.309 350 Q HA 0.568 4.910 4.340 0.003 0.000 0.264 350 Q C -1.563 174.181 176.000 -0.426 0.000 1.008 350 Q CA -0.686 54.888 55.803 -0.381 0.000 0.853 350 Q CB 2.517 31.190 28.738 -0.109 0.000 1.314 350 Q HN 0.846 nan 8.270 nan 0.000 0.448 351 H N 1.648 120.570 119.070 -0.247 0.000 3.013 351 H HA 0.434 4.992 4.556 0.004 0.000 0.326 351 H C -1.922 173.412 175.328 0.010 0.000 0.973 351 H CA -0.478 55.484 56.048 -0.143 0.000 1.369 351 H CB 0.554 30.322 29.762 0.010 0.000 1.598 351 H HN 0.379 nan 8.280 nan 0.000 0.518 352 L N 5.005 126.040 121.223 -0.313 0.000 2.329 352 L HA 0.642 4.984 4.340 0.003 0.000 0.279 352 L C -0.297 176.282 176.870 -0.484 0.000 1.014 352 L CA -0.576 54.087 54.840 -0.296 0.000 0.814 352 L CB 1.363 43.343 42.059 -0.132 0.000 1.257 352 L HN 0.583 nan 8.230 nan 0.000 0.424 353 R N 2.409 122.571 120.500 -0.563 0.000 2.799 353 R HA 0.442 4.784 4.340 0.003 0.000 0.270 353 R C -2.051 174.048 176.300 -0.335 0.000 1.010 353 R CA -1.980 53.817 56.100 -0.505 0.000 0.916 353 R CB 0.953 30.834 30.300 -0.698 0.000 1.228 353 R HN 0.156 nan 8.270 nan 0.000 0.469 354 P HA -0.140 nan 4.420 nan 0.000 0.216 354 P C 0.733 178.003 177.300 -0.051 0.000 1.153 354 P CA 1.893 64.930 63.100 -0.105 0.000 0.858 354 P CB 0.270 31.931 31.700 -0.065 0.000 0.789 355 A N -2.871 119.944 122.820 -0.008 0.000 2.218 355 A HA 0.184 4.506 4.320 0.003 0.000 0.209 355 A C 0.417 178.140 177.584 0.231 0.000 1.168 355 A CA 0.509 52.617 52.037 0.119 0.000 0.804 355 A CB -0.801 18.314 19.000 0.191 0.000 0.834 355 A HN 0.385 nan 8.150 nan 0.000 0.482 356 Y N -4.959 115.387 120.300 0.077 0.000 2.814 356 Y HA 0.631 5.183 4.550 0.004 0.000 0.348 356 Y C -0.985 174.998 175.900 0.138 0.000 1.245 356 Y CA -1.260 56.910 58.100 0.118 0.000 1.086 356 Y CB 0.159 38.716 38.460 0.162 0.000 1.373 356 Y HN -0.188 nan 8.280 nan 0.000 0.451 357 S N 1.394 117.307 115.700 0.355 0.000 2.547 357 S HA 0.676 5.148 4.470 0.003 0.000 0.281 357 S C -2.105 172.851 174.600 0.593 0.000 1.118 357 S CA -0.606 57.773 58.200 0.298 0.000 0.947 357 S CB 1.431 64.722 63.200 0.153 0.000 1.053 357 S HN 0.692 nan 8.310 nan 0.000 0.482 358 F N 3.923 124.162 119.950 0.481 0.000 2.716 358 F HA 0.478 5.008 4.527 0.004 0.000 0.354 358 F C -1.006 174.993 175.800 0.331 0.000 1.168 358 F CA -0.548 57.722 58.000 0.452 0.000 1.045 358 F CB 0.778 40.128 39.000 0.584 0.000 1.311 358 F HN 0.451 nan 8.300 nan 0.000 0.477 359 N N 4.844 123.672 118.700 0.212 0.000 2.314 359 N HA 0.593 5.335 4.740 0.003 0.000 0.304 359 N C -1.371 174.124 175.510 -0.026 0.000 1.073 359 N CA -0.570 52.526 53.050 0.077 0.000 0.822 359 N CB 2.771 41.256 38.487 -0.002 0.000 1.280 359 N HN 0.234 nan 8.380 nan 0.000 0.489 360 V N 1.102 120.976 119.914 -0.067 0.000 2.540 360 V HA 0.461 4.583 4.120 0.003 0.000 0.302 360 V C 0.188 176.245 176.094 -0.062 0.000 1.035 360 V CA -0.873 61.308 62.300 -0.198 0.000 0.873 360 V CB 2.240 33.718 31.823 -0.575 0.000 0.992 360 V HN 0.558 nan 8.190 nan 0.000 0.428 361 R N 4.056 124.528 120.500 -0.048 0.000 2.393 361 R HA 0.824 5.166 4.340 0.003 0.000 0.310 361 R C -0.780 175.447 176.300 -0.121 0.000 0.968 361 R CA -0.342 55.770 56.100 0.020 0.000 0.867 361 R CB 1.226 31.527 30.300 0.002 0.000 1.124 361 R HN 0.788 nan 8.270 nan 0.000 0.450 362 M N 2.384 121.909 119.600 -0.124 0.000 2.752 362 M HA 0.612 5.094 4.480 0.003 0.000 0.285 362 M C -1.224 174.955 176.300 -0.202 0.000 1.140 362 M CA -1.084 54.016 55.300 -0.332 0.000 0.767 362 M CB 2.016 34.492 32.600 -0.208 0.000 1.736 362 M HN 0.387 nan 8.290 nan 0.000 0.452 363 V N -0.401 119.401 119.914 -0.186 0.000 3.282 363 V HA 0.875 4.997 4.120 0.003 0.000 0.295 363 V C -1.783 174.440 176.094 0.215 0.000 1.451 363 V CA 0.058 62.380 62.300 0.037 0.000 1.062 363 V CB 2.489 34.326 31.823 0.024 0.000 1.128 363 V HN 1.099 nan 8.190 nan 0.000 0.456 364 S N 2.090 117.901 115.700 0.184 0.000 2.703 364 S HA 0.476 4.948 4.470 0.003 0.000 0.273 364 S C 0.158 174.827 174.600 0.114 0.000 1.178 364 S CA -0.246 58.072 58.200 0.197 0.000 0.838 364 S CB 1.603 64.914 63.200 0.186 0.000 1.178 364 S HN 0.760 nan 8.310 nan 0.000 0.494 365 K N 0.253 120.705 120.400 0.085 0.000 2.360 365 K HA 0.063 4.385 4.320 0.003 0.000 0.201 365 K C 1.722 178.304 176.600 -0.030 0.000 1.046 365 K CA 0.871 57.178 56.287 0.035 0.000 0.945 365 K CB -0.199 32.315 32.500 0.023 0.000 0.750 365 K HN 0.413 nan 8.250 nan 0.000 0.464 366 R N 0.304 120.769 120.500 -0.057 0.000 2.276 366 R HA 0.008 4.350 4.340 0.003 0.000 0.196 366 R C 0.835 177.082 176.300 -0.087 0.000 0.961 366 R CA 0.711 56.685 56.100 -0.210 0.000 1.024 366 R CB 0.348 30.445 30.300 -0.339 0.000 0.940 366 R HN 0.209 nan 8.270 nan 0.000 0.480 367 T N -2.104 112.467 114.554 0.029 0.000 2.693 367 T HA 0.516 4.869 4.350 0.003 0.000 0.278 367 T C -0.413 174.319 174.700 0.053 0.000 0.994 367 T CA -1.100 61.045 62.100 0.075 0.000 1.033 367 T CB 2.098 71.034 68.868 0.112 0.000 1.342 367 T HN -0.215 nan 8.240 nan 0.000 0.538 368 R N 0.340 120.871 120.500 0.052 0.000 2.711 368 R HA 0.549 4.891 4.340 0.003 0.000 0.284 368 R C -0.100 176.215 176.300 0.025 0.000 0.968 368 R CA -0.798 55.328 56.100 0.043 0.000 0.924 368 R CB 1.931 32.267 30.300 0.060 0.000 1.162 368 R HN 0.659 nan 8.270 nan 0.000 0.465 369 R N 0.122 120.622 120.500 0.000 0.000 2.707 369 R HA 0.122 4.464 4.340 0.003 0.000 0.270 369 R C 0.413 176.706 176.300 -0.013 0.000 1.083 369 R CA -0.198 55.878 56.100 -0.040 0.000 1.182 369 R CB 0.442 30.668 30.300 -0.124 0.000 1.084 369 R HN 0.453 nan 8.270 nan 0.000 0.528 370 S N 1.138 116.829 115.700 -0.016 0.000 2.563 370 S HA -0.070 4.402 4.470 0.003 0.000 0.294 370 S C 0.013 174.615 174.600 0.004 0.000 1.279 370 S CA -0.292 57.917 58.200 0.015 0.000 1.069 370 S CB 0.100 63.319 63.200 0.033 0.000 0.828 370 S HN 0.502 nan 8.310 nan 0.000 0.497 371 E N 2.897 123.124 120.200 0.046 0.000 2.314 371 E HA 0.529 4.881 4.350 0.003 0.000 0.262 371 E C -0.512 176.059 176.600 -0.050 0.000 1.093 371 E CA -0.891 55.530 56.400 0.035 0.000 0.908 371 E CB 1.071 30.881 29.700 0.184 0.000 1.091 371 E HN 0.357 nan 8.360 nan 0.000 0.425 372 S N 0.428 116.029 115.700 -0.164 0.000 2.521 372 S HA 0.759 5.231 4.470 0.003 0.000 0.295 372 S C -0.742 173.544 174.600 -0.523 0.000 1.098 372 S CA 0.076 58.116 58.200 -0.266 0.000 0.999 372 S CB 1.318 64.359 63.200 -0.266 0.000 1.034 372 S HN 0.845 nan 8.310 nan 0.000 0.483 373 G N 2.409 110.868 108.800 -0.568 0.000 2.667 373 G HA2 0.435 4.397 3.960 0.003 0.000 0.294 373 G HA3 0.435 4.397 3.960 0.003 0.000 0.294 373 G C -0.927 173.714 174.900 -0.432 0.000 1.467 373 G CA -0.791 43.650 45.100 -1.099 0.000 0.852 373 G HN 0.717 nan 8.290 nan 0.000 0.521 374 N N 0.332 118.886 118.700 -0.243 0.000 2.710 374 N HA -0.182 4.560 4.740 0.003 0.000 0.249 374 N C 0.622 176.088 175.510 -0.073 0.000 1.059 374 N CA 1.522 54.577 53.050 0.008 0.000 0.720 374 N CB -0.747 37.826 38.487 0.144 0.000 0.983 374 N HN 0.978 nan 8.380 nan 0.000 0.544 375 K N -2.171 118.137 120.400 -0.153 0.000 3.069 375 K HA -0.261 4.061 4.320 0.003 0.000 0.267 375 K C -0.479 176.015 176.600 -0.177 0.000 1.082 375 K CA 1.257 57.442 56.287 -0.169 0.000 0.782 375 K CB -1.070 31.348 32.500 -0.137 0.000 1.230 375 K HN 0.575 nan 8.250 nan 0.000 0.488 376 E N 0.503 120.604 120.200 -0.165 0.000 2.221 376 E HA 0.244 4.596 4.350 0.003 0.000 0.268 376 E C 0.092 176.592 176.600 -0.167 0.000 0.933 376 E CA -1.137 55.188 56.400 -0.125 0.000 0.809 376 E CB 1.077 30.744 29.700 -0.054 0.000 1.190 376 E HN 0.196 nan 8.360 nan 0.000 0.406 377 N N 1.372 119.974 118.700 -0.163 0.000 2.725 377 N HA -0.212 4.530 4.740 0.003 0.000 0.251 377 N C 0.101 175.411 175.510 -0.332 0.000 1.031 377 N CA 0.288 53.202 53.050 -0.227 0.000 0.720 377 N CB -1.094 37.326 38.487 -0.112 0.000 0.930 377 N HN 0.596 nan 8.380 nan 0.000 0.543 378 L N -0.750 120.244 121.223 -0.381 0.000 2.187 378 L HA -0.143 4.199 4.340 0.003 0.000 0.213 378 L C 1.739 178.342 176.870 -0.444 0.000 1.100 378 L CA 1.104 55.719 54.840 -0.374 0.000 0.765 378 L CB -0.201 41.648 42.059 -0.350 0.000 0.904 378 L HN 0.379 nan 8.230 nan 0.000 0.437 379 L N -0.885 119.918 121.223 -0.701 0.000 2.728 379 L HA 0.212 4.554 4.340 0.003 0.000 0.238 379 L C 1.675 178.212 176.870 -0.554 0.000 1.143 379 L CA -0.141 54.251 54.840 -0.747 0.000 0.937 379 L CB -0.081 41.248 42.059 -1.216 0.000 1.225 379 L HN 0.124 nan 8.230 nan 0.000 0.507 380 G N 0.121 108.664 108.800 -0.429 0.000 3.340 380 G HA2 -0.070 3.892 3.960 0.003 0.000 0.240 380 G HA3 -0.070 3.892 3.960 0.003 0.000 0.240 380 G C 1.335 176.193 174.900 -0.070 0.000 1.327 380 G CA -0.280 44.796 45.100 -0.041 0.000 1.170 380 G HN 0.242 nan 8.290 nan 0.000 0.520 381 R N -0.688 119.690 120.500 -0.203 0.000 2.159 381 R HA -0.094 4.248 4.340 0.003 0.000 0.237 381 R C 0.570 176.506 176.300 -0.607 0.000 1.131 381 R CA 1.121 56.951 56.100 -0.449 0.000 0.982 381 R CB -0.037 29.865 30.300 -0.662 0.000 0.868 381 R HN 0.576 nan 8.270 nan 0.000 0.453 382 Y N -1.134 119.231 120.300 0.108 0.000 2.612 382 Y HA 0.189 4.742 4.550 0.004 0.000 0.250 382 Y C 1.229 177.168 175.900 0.064 0.000 1.175 382 Y CA -0.462 57.694 58.100 0.092 0.000 1.205 382 Y CB 0.486 39.023 38.460 0.128 0.000 1.201 382 Y HN -0.065 nan 8.280 nan 0.000 0.532 383 L N -0.684 120.631 121.223 0.153 0.000 2.261 383 L HA -0.204 4.138 4.340 0.003 0.000 0.216 383 L C 1.611 178.543 176.870 0.103 0.000 1.114 383 L CA 1.307 56.233 54.840 0.144 0.000 0.777 383 L CB -0.130 42.036 42.059 0.179 0.000 0.910 383 L HN 0.170 nan 8.230 nan 0.000 0.440 384 S N -1.678 114.052 115.700 0.050 0.000 2.556 384 S HA 0.029 4.501 4.470 0.003 0.000 0.216 384 S C 0.351 174.912 174.600 -0.066 0.000 0.970 384 S CA -0.074 58.115 58.200 -0.018 0.000 0.912 384 S CB 0.023 63.192 63.200 -0.052 0.000 0.790 384 S HN 0.276 nan 8.310 nan 0.000 0.504 385 D N 2.268 122.720 120.400 0.086 0.000 3.057 385 D HA 0.330 4.972 4.640 0.003 0.000 0.246 385 D C 0.928 177.402 176.300 0.290 0.000 1.238 385 D CA 0.061 54.198 54.000 0.230 0.000 0.949 385 D CB -0.181 40.876 40.800 0.428 0.000 1.086 385 D HN 0.372 nan 8.370 nan 0.000 0.487 386 G N 0.804 109.646 108.800 0.070 0.000 2.291 386 G HA2 -0.160 3.802 3.960 0.003 0.000 0.271 386 G HA3 -0.160 3.802 3.960 0.003 0.000 0.271 386 G C 0.406 175.445 174.900 0.231 0.000 1.099 386 G CA -0.148 45.122 45.100 0.284 0.000 0.919 386 G HN 0.605 nan 8.290 nan 0.000 0.496 387 A N 0.777 123.649 122.820 0.087 0.000 2.404 387 A HA 0.708 5.030 4.320 0.003 0.000 0.273 387 A C 0.997 178.583 177.584 0.004 0.000 1.144 387 A CA 0.850 52.957 52.037 0.117 0.000 0.806 387 A CB 0.244 19.360 19.000 0.193 0.000 1.080 387 A HN 1.831 nan 8.150 nan 0.000 0.509 388 T N 0.869 115.446 114.554 0.037 0.000 2.781 388 T HA 0.375 4.727 4.350 0.003 0.000 0.305 388 T C -0.267 174.285 174.700 -0.247 0.000 1.001 388 T CA -0.693 61.303 62.100 -0.173 0.000 0.950 388 T CB 0.130 68.938 68.868 -0.100 0.000 0.955 388 T HN 0.587 nan 8.240 nan 0.000 0.471 389 N N 4.078 122.529 118.700 -0.415 0.000 2.415 389 N HA 0.349 5.091 4.740 0.003 0.000 0.246 389 N C -0.780 174.636 175.510 -0.157 0.000 1.078 389 N CA -0.637 52.159 53.050 -0.423 0.000 0.942 389 N CB 0.150 38.222 38.487 -0.692 0.000 1.140 389 N HN 0.683 nan 8.380 nan 0.000 0.501 390 I N 2.831 123.496 120.570 0.158 0.000 2.390 390 I HA 0.252 4.424 4.170 0.003 0.000 0.283 390 I C -0.393 175.912 176.117 0.315 0.000 1.016 390 I CA -0.608 60.789 61.300 0.162 0.000 1.151 390 I CB 1.285 39.360 38.000 0.125 0.000 1.293 390 I HN 0.387 nan 8.210 nan 0.000 0.458 391 Q N 5.026 124.994 119.800 0.280 0.000 2.340 391 Q HA 0.504 4.846 4.340 0.003 0.000 0.268 391 Q C -0.434 175.700 176.000 0.223 0.000 1.031 391 Q CA -0.665 55.276 55.803 0.230 0.000 0.804 391 Q CB 3.129 32.004 28.738 0.228 0.000 1.286 391 Q HN 0.554 nan 8.270 nan 0.000 0.448 392 L N 0.900 122.217 121.223 0.157 0.000 2.675 392 L HA 0.230 4.572 4.340 0.003 0.000 0.178 392 L C 1.837 178.769 176.870 0.103 0.000 1.135 392 L CA 0.738 55.669 54.840 0.151 0.000 0.855 392 L CB -0.155 41.971 42.059 0.112 0.000 1.235 392 L HN 0.457 nan 8.230 nan 0.000 0.499 393 R N -0.570 119.969 120.500 0.064 0.000 2.093 393 R HA 0.236 4.578 4.340 0.003 0.000 0.224 393 R C 1.326 177.669 176.300 0.072 0.000 1.101 393 R CA 1.111 57.239 56.100 0.047 0.000 0.979 393 R CB -0.090 30.213 30.300 0.005 0.000 0.877 393 R HN 0.521 nan 8.270 nan 0.000 0.441 394 G N -0.259 108.579 108.800 0.063 0.000 3.151 394 G HA2 -0.166 3.796 3.960 0.003 0.000 0.197 394 G HA3 -0.166 3.796 3.960 0.003 0.000 0.197 394 G C -1.794 173.039 174.900 -0.112 0.000 1.682 394 G CA -0.145 45.026 45.100 0.118 0.000 1.205 394 G HN 0.230 nan 8.290 nan 0.000 0.510 395 P HA 0.284 nan 4.420 nan 0.000 0.255 395 P C 0.614 177.877 177.300 -0.062 0.000 1.427 395 P CA 0.550 63.271 63.100 -0.632 0.000 0.863 395 P CB 0.409 31.545 31.700 -0.940 0.000 1.444 396 E N -0.306 119.845 120.200 -0.082 0.000 2.219 396 E HA -0.180 4.172 4.350 0.003 0.000 0.198 396 E C 0.487 176.875 176.600 -0.354 0.000 0.998 396 E CA 1.665 57.946 56.400 -0.198 0.000 0.818 396 E CB -0.697 28.733 29.700 -0.450 0.000 0.741 396 E HN 0.543 nan 8.360 nan 0.000 0.477 397 Y N -2.637 117.733 120.300 0.116 0.000 2.588 397 Y HA 0.178 4.730 4.550 0.003 0.000 0.247 397 Y C -0.160 175.728 175.900 -0.019 0.000 1.157 397 Y CA -0.936 57.086 58.100 -0.130 0.000 1.215 397 Y CB 0.077 38.518 38.460 -0.031 0.000 1.245 397 Y HN -0.076 nan 8.280 nan 0.000 0.534 398 Y N 3.389 123.830 120.300 0.235 0.000 2.745 398 Y HA -0.034 4.518 4.550 0.003 0.000 0.335 398 Y C 0.620 176.772 175.900 0.420 0.000 1.212 398 Y CA -0.071 58.198 58.100 0.282 0.000 1.535 398 Y CB -0.349 38.179 38.460 0.113 0.000 1.220 398 Y HN 0.317 nan 8.280 nan 0.000 0.531 399 N N 3.879 122.479 118.700 -0.166 0.000 2.714 399 N HA -0.316 4.426 4.740 0.003 0.000 0.250 399 N C 0.888 176.401 175.510 0.006 0.000 1.117 399 N CA 1.305 54.335 53.050 -0.034 0.000 0.719 399 N CB -1.461 36.932 38.487 -0.156 0.000 1.081 399 N HN 0.862 nan 8.380 nan 0.000 0.557 400 I N -0.585 119.797 120.570 -0.313 0.000 3.059 400 I HA -0.074 4.098 4.170 0.003 0.000 0.270 400 I C 1.698 177.228 176.117 -0.979 0.000 1.238 400 I CA 0.321 61.105 61.300 -0.860 0.000 1.478 400 I CB 0.124 37.167 38.000 -1.595 0.000 1.097 400 I HN 0.036 nan 8.210 nan 0.000 0.455 401 M N 1.591 120.632 119.600 -0.933 0.000 2.113 401 M HA -0.206 4.276 4.480 0.003 0.000 0.255 401 M C -0.640 175.477 176.300 -0.305 0.000 1.073 401 M CA 2.474 57.376 55.300 -0.663 0.000 1.091 401 M CB -2.095 30.359 32.600 -0.244 0.000 1.309 401 M HN 0.138 nan 8.290 nan 0.000 0.407 402 P HA -0.081 nan 4.420 nan 0.000 0.221 402 P C 1.112 178.400 177.300 -0.020 0.000 1.145 402 P CA 1.716 64.569 63.100 -0.412 0.000 0.795 402 P CB -0.249 30.845 31.700 -1.010 0.000 0.775 403 V N -7.240 112.607 119.914 -0.112 0.000 3.483 403 V HA 0.330 4.452 4.120 0.003 0.000 0.301 403 V C 0.501 176.609 176.094 0.023 0.000 1.389 403 V CA -0.805 61.493 62.300 -0.003 0.000 1.101 403 V CB -1.056 30.767 31.823 -0.000 0.000 0.971 403 V HN -0.171 nan 8.190 nan 0.000 0.434 404 W N 2.048 123.189 121.300 -0.265 0.000 2.170 404 W HA 0.386 5.048 4.660 0.004 0.000 0.336 404 W C 0.611 176.930 176.519 -0.333 0.000 1.283 404 W CA -0.753 56.294 57.345 -0.497 0.000 1.224 404 W CB 0.762 29.584 29.460 -1.063 0.000 1.132 404 W HN 0.309 nan 8.180 nan 0.000 0.571 405 E N 2.851 122.950 120.200 -0.169 0.000 2.046 405 E HA 0.065 4.417 4.350 0.003 0.000 0.279 405 E C 0.022 176.453 176.600 -0.282 0.000 0.989 405 E CA -0.466 55.863 56.400 -0.118 0.000 0.798 405 E CB 0.275 29.852 29.700 -0.205 0.000 1.086 405 E HN 0.475 nan 8.360 nan 0.000 0.399 406 W N 2.718 123.955 121.300 -0.106 0.000 2.611 406 W HA -0.069 4.593 4.660 0.004 0.000 0.251 406 W C 1.007 177.479 176.519 -0.078 0.000 1.265 406 W CA 0.497 57.764 57.345 -0.130 0.000 1.295 406 W CB 0.135 29.583 29.460 -0.021 0.000 1.129 406 W HN 0.587 nan 8.180 nan 0.000 0.630 407 D N -0.780 119.660 120.400 0.066 0.000 2.358 407 D HA 0.028 4.670 4.640 0.003 0.000 0.224 407 D C 0.553 176.707 176.300 -0.242 0.000 1.123 407 D CA 0.172 54.158 54.000 -0.023 0.000 0.833 407 D CB -0.495 40.325 40.800 0.034 0.000 0.946 407 D HN 0.034 nan 8.370 nan 0.000 0.505 408 K N 0.686 120.876 120.400 -0.350 0.000 2.972 408 K HA 0.181 4.503 4.320 0.003 0.000 0.209 408 K C -0.405 175.844 176.600 -0.585 0.000 1.128 408 K CA -0.678 55.335 56.287 -0.456 0.000 1.024 408 K CB 0.938 33.109 32.500 -0.549 0.000 0.754 408 K HN 0.031 nan 8.250 nan 0.000 0.454 409 I N 2.523 122.746 120.570 -0.579 0.000 2.775 409 I HA 0.011 4.183 4.170 0.003 0.000 0.290 409 I C -2.095 173.779 176.117 -0.405 0.000 1.203 409 I CA -2.518 58.316 61.300 -0.777 0.000 1.433 409 I CB -0.344 37.375 38.000 -0.469 0.000 1.354 409 I HN -0.060 nan 8.210 nan 0.000 0.579 410 P HA 0.055 nan 4.420 nan 0.000 0.260 410 P C 0.867 178.232 177.300 0.109 0.000 1.172 410 P CA 1.105 64.200 63.100 -0.009 0.000 0.760 410 P CB 0.390 32.184 31.700 0.157 0.000 0.773 411 G N 2.873 111.783 108.800 0.184 0.000 2.225 411 G HA2 -0.276 3.686 3.960 0.003 0.000 0.254 411 G HA3 -0.276 3.686 3.960 0.003 0.000 0.254 411 G C 0.317 175.426 174.900 0.348 0.000 0.988 411 G CA 0.257 45.572 45.100 0.358 0.000 0.625 411 G HN 0.681 nan 8.290 nan 0.000 0.527 412 I N -0.279 120.410 120.570 0.199 0.000 2.612 412 I HA 0.749 4.921 4.170 0.003 0.000 0.295 412 I C 0.058 176.262 176.117 0.144 0.000 1.011 412 I CA -0.497 60.930 61.300 0.212 0.000 1.326 412 I CB 1.522 39.609 38.000 0.144 0.000 1.427 412 I HN -0.026 nan 8.210 nan 0.000 0.537 413 T N 4.230 118.901 114.554 0.196 0.000 2.829 413 T HA 0.542 4.894 4.350 0.003 0.000 0.282 413 T C -0.325 174.404 174.700 0.049 0.000 0.990 413 T CA -0.412 61.779 62.100 0.153 0.000 1.028 413 T CB 1.147 70.154 68.868 0.232 0.000 0.951 413 T HN 0.811 nan 8.240 nan 0.000 0.460 414 S N 2.001 117.669 115.700 -0.054 0.000 2.615 414 S HA 0.474 4.946 4.470 0.003 0.000 0.268 414 S C -1.303 173.147 174.600 -0.249 0.000 1.146 414 S CA -0.976 57.094 58.200 -0.217 0.000 0.818 414 S CB 1.113 64.050 63.200 -0.439 0.000 1.111 414 S HN 0.625 nan 8.310 nan 0.000 0.465 415 R N 1.101 121.379 120.500 -0.370 0.000 2.582 415 R HA 0.275 4.617 4.340 0.003 0.000 0.271 415 R C -0.902 175.060 176.300 -0.562 0.000 1.078 415 R CA -0.411 55.402 56.100 -0.478 0.000 1.127 415 R CB 0.335 30.208 30.300 -0.711 0.000 1.038 415 R HN 0.544 nan 8.270 nan 0.000 0.500 416 D N 2.684 122.815 120.400 -0.448 0.000 2.518 416 D HA 0.092 4.734 4.640 0.003 0.000 0.230 416 D C -0.690 175.443 176.300 -0.279 0.000 1.138 416 D CA -0.397 53.406 54.000 -0.329 0.000 0.964 416 D CB -0.147 40.502 40.800 -0.251 0.000 1.011 416 D HN 0.249 nan 8.370 nan 0.000 0.517 417 Y N 1.261 121.517 120.300 -0.072 0.000 2.511 417 Y HA -0.029 4.523 4.550 0.004 0.000 0.347 417 Y C 1.524 177.405 175.900 -0.033 0.000 1.257 417 Y CA -0.646 57.437 58.100 -0.029 0.000 1.469 417 Y CB 0.615 39.082 38.460 0.012 0.000 1.353 417 Y HN 0.234 nan 8.280 nan 0.000 0.617 418 L N 1.230 122.539 121.223 0.144 0.000 1.988 418 L HA -0.041 4.301 4.340 0.003 0.000 0.207 418 L C 0.976 177.893 176.870 0.078 0.000 1.071 418 L CA 1.982 56.865 54.840 0.073 0.000 0.744 418 L CB -0.747 41.348 42.059 0.059 0.000 0.893 418 L HN 0.798 nan 8.230 nan 0.000 0.433 419 T N -2.204 112.409 114.554 0.099 0.000 2.885 419 T HA 0.336 4.688 4.350 0.003 0.000 0.285 419 T C -0.354 174.400 174.700 0.090 0.000 1.019 419 T CA -0.985 61.162 62.100 0.078 0.000 1.010 419 T CB 1.089 69.986 68.868 0.047 0.000 1.022 419 T HN 0.051 nan 8.240 nan 0.000 0.466 420 D N 1.698 122.157 120.400 0.099 0.000 2.525 420 D HA 0.040 4.682 4.640 0.003 0.000 0.235 420 D C 0.310 176.582 176.300 -0.048 0.000 1.137 420 D CA 0.352 54.407 54.000 0.091 0.000 0.868 420 D CB 0.620 41.512 40.800 0.153 0.000 1.180 420 D HN 0.521 nan 8.370 nan 0.000 0.465 421 R N 3.503 123.908 120.500 -0.159 0.000 2.196 421 R HA 0.246 4.588 4.340 0.003 0.000 0.340 421 R C -2.236 173.942 176.300 -0.204 0.000 1.043 421 R CA -1.403 54.514 56.100 -0.304 0.000 0.883 421 R CB 0.893 30.770 30.300 -0.705 0.000 1.078 421 R HN 0.246 nan 8.270 nan 0.000 0.462 422 P HA 0.030 nan 4.420 nan 0.000 0.274 422 P C -0.451 176.730 177.300 -0.197 0.000 1.256 422 P CA -0.311 62.666 63.100 -0.205 0.000 0.795 422 P CB 0.919 32.510 31.700 -0.182 0.000 1.038 423 L N 0.620 121.718 121.223 -0.207 0.000 2.417 423 L HA 0.172 4.514 4.340 0.003 0.000 0.268 423 L C 1.839 178.622 176.870 -0.144 0.000 1.158 423 L CA 0.249 54.986 54.840 -0.173 0.000 0.819 423 L CB 0.612 42.558 42.059 -0.188 0.000 1.112 423 L HN 0.544 nan 8.230 nan 0.000 0.458 424 T N -2.559 111.932 114.554 -0.105 0.000 3.019 424 T HA 0.187 4.539 4.350 0.003 0.000 0.247 424 T C 0.684 175.332 174.700 -0.086 0.000 0.992 424 T CA -0.361 61.685 62.100 -0.089 0.000 1.036 424 T CB 0.297 69.128 68.868 -0.062 0.000 1.063 424 T HN 0.168 nan 8.240 nan 0.000 0.476 425 K N 1.829 122.188 120.400 -0.068 0.000 2.237 425 K HA 0.469 4.791 4.320 0.003 0.000 0.270 425 K C -0.553 175.972 176.600 -0.125 0.000 1.015 425 K CA -0.487 55.765 56.287 -0.058 0.000 0.949 425 K CB 0.844 33.340 32.500 -0.008 0.000 0.976 425 K HN 0.189 nan 8.250 nan 0.000 0.472 426 L N 1.290 122.425 121.223 -0.146 0.000 2.334 426 L HA 0.315 4.657 4.340 0.003 0.000 0.273 426 L C 0.102 176.873 176.870 -0.164 0.000 1.013 426 L CA -0.403 54.221 54.840 -0.359 0.000 0.816 426 L CB 0.659 42.365 42.059 -0.588 0.000 1.278 426 L HN 0.837 nan 8.230 nan 0.000 0.431 427 W N 1.929 123.252 121.300 0.039 0.000 3.456 427 W HA -0.068 4.594 4.660 0.003 0.000 0.314 427 W C 0.986 177.549 176.519 0.073 0.000 1.192 427 W CA 0.473 57.861 57.345 0.073 0.000 0.654 427 W CB -1.652 27.805 29.460 -0.006 0.000 2.251 427 W HN 1.005 nan 8.180 nan 0.000 1.360 428 G N 0.929 109.838 108.800 0.182 0.000 3.436 428 G HA2 -0.076 3.886 3.960 0.003 0.000 0.685 428 G HA3 -0.076 3.886 3.960 0.003 0.000 0.685 428 G C -0.609 174.344 174.900 0.087 0.000 1.039 428 G CA -0.385 44.790 45.100 0.125 0.000 0.879 428 G HN 0.432 nan 8.290 nan 0.000 0.478 429 E N 1.929 122.156 120.200 0.046 0.000 2.200 429 E HA 0.389 4.741 4.350 0.003 0.000 0.283 429 E C 0.802 177.427 176.600 0.042 0.000 1.015 429 E CA -0.640 55.788 56.400 0.047 0.000 0.819 429 E CB 0.615 30.343 29.700 0.047 0.000 1.081 429 E HN 0.674 nan 8.360 nan 0.000 0.397 430 Q N 3.194 123.025 119.800 0.050 0.000 2.315 430 Q HA 0.077 4.419 4.340 0.003 0.000 0.289 430 Q C 0.127 176.163 176.000 0.060 0.000 1.044 430 Q CA 0.132 55.963 55.803 0.046 0.000 0.920 430 Q CB 0.597 29.358 28.738 0.038 0.000 1.214 430 Q HN 0.721 nan 8.270 nan 0.000 0.392 431 G N 1.733 110.572 108.800 0.064 0.000 2.690 431 G HA2 0.048 4.010 3.960 0.003 0.000 0.239 431 G HA3 0.048 4.010 3.960 0.003 0.000 0.239 431 G C 0.648 175.619 174.900 0.117 0.000 1.233 431 G CA 0.091 45.250 45.100 0.098 0.000 0.847 431 G HN 0.834 nan 8.290 nan 0.000 0.588 432 S N -0.641 115.153 115.700 0.156 0.000 2.514 432 S HA 0.045 4.517 4.470 0.003 0.000 0.223 432 S C 0.800 175.479 174.600 0.131 0.000 1.046 432 S CA 0.042 58.329 58.200 0.145 0.000 0.914 432 S CB -0.104 63.205 63.200 0.182 0.000 0.807 432 S HN 0.763 nan 8.310 nan 0.000 0.497 433 N N 1.557 120.353 118.700 0.160 0.000 2.473 433 N HA 0.243 4.985 4.740 0.003 0.000 0.291 433 N C -0.628 174.986 175.510 0.174 0.000 1.083 433 N CA -0.391 52.754 53.050 0.159 0.000 0.951 433 N CB 1.292 39.878 38.487 0.165 0.000 1.164 433 N HN -0.037 nan 8.380 nan 0.000 0.480 434 D N 0.410 120.909 120.400 0.166 0.000 2.213 434 D HA -0.015 4.627 4.640 0.003 0.000 0.205 434 D C -0.331 176.085 176.300 0.194 0.000 0.961 434 D CA 0.723 54.811 54.000 0.147 0.000 0.853 434 D CB 0.165 41.038 40.800 0.122 0.000 0.967 434 D HN 0.463 nan 8.370 nan 0.000 0.496 435 F N 1.097 121.133 119.950 0.142 0.000 2.413 435 F HA 0.405 4.935 4.527 0.004 0.000 0.359 435 F C -0.236 175.721 175.800 0.262 0.000 1.122 435 F CA -0.324 57.789 58.000 0.190 0.000 1.160 435 F CB 0.548 39.687 39.000 0.232 0.000 1.146 435 F HN -0.204 nan 8.300 nan 0.000 0.514 436 A N 4.319 127.279 122.820 0.233 0.000 2.530 436 A HA 0.722 5.044 4.320 0.003 0.000 0.297 436 A C -0.541 177.141 177.584 0.164 0.000 1.059 436 A CA 0.097 52.361 52.037 0.377 0.000 0.782 436 A CB 0.719 19.978 19.000 0.432 0.000 1.301 436 A HN 1.299 nan 8.150 nan 0.000 0.394 437 G N -0.129 108.798 108.800 0.211 0.000 2.367 437 G HA2 0.810 4.772 3.960 0.003 0.000 0.272 437 G HA3 0.810 4.772 3.960 0.003 0.000 0.272 437 G C -0.119 174.881 174.900 0.167 0.000 1.271 437 G CA 0.520 45.706 45.100 0.144 0.000 0.893 437 G HN 2.586 nan 8.290 nan 0.000 0.485 438 G N -2.172 106.703 108.800 0.125 0.000 2.368 438 G HA2 0.631 4.593 3.960 0.003 0.000 0.293 438 G HA3 0.631 4.593 3.960 0.003 0.000 0.293 438 G C -1.740 173.226 174.900 0.110 0.000 1.467 438 G CA 0.451 45.629 45.100 0.130 0.000 0.804 438 G HN 1.795 nan 8.290 nan 0.000 0.535 439 V N -0.233 119.740 119.914 0.098 0.000 2.630 439 V HA 0.906 5.028 4.120 0.003 0.000 0.305 439 V C -0.115 175.993 176.094 0.022 0.000 1.046 439 V CA 0.187 62.540 62.300 0.088 0.000 0.934 439 V CB 1.747 33.641 31.823 0.118 0.000 1.003 439 V HN 1.637 nan 8.190 nan 0.000 0.451 440 S N 2.886 118.586 115.700 -0.000 0.000 2.543 440 S HA 0.431 4.904 4.470 0.003 0.000 0.271 440 S C -0.568 173.914 174.600 -0.196 0.000 1.148 440 S CA -0.062 58.084 58.200 -0.089 0.000 0.914 440 S CB 1.808 65.056 63.200 0.079 0.000 1.096 440 S HN 1.019 nan 8.310 nan 0.000 0.471 441 D N 2.211 122.356 120.400 -0.426 0.000 2.402 441 D HA 0.296 4.938 4.640 0.003 0.000 0.216 441 D C 1.300 177.432 176.300 -0.282 0.000 1.128 441 D CA 0.604 54.243 54.000 -0.602 0.000 0.833 441 D CB -0.014 39.972 40.800 -1.356 0.000 0.971 441 D HN 1.211 nan 8.370 nan 0.000 0.503 442 G N -0.687 107.982 108.800 -0.219 0.000 2.217 442 G HA2 -0.303 3.659 3.960 0.003 0.000 0.246 442 G HA3 -0.303 3.659 3.960 0.003 0.000 0.246 442 G C 0.803 175.513 174.900 -0.316 0.000 0.990 442 G CA 0.337 45.290 45.100 -0.245 0.000 0.627 442 G HN 0.388 nan 8.290 nan 0.000 0.522 443 V N -1.622 118.117 119.914 -0.292 0.000 3.165 443 V HA 0.416 4.538 4.120 0.003 0.000 0.231 443 V C 0.626 176.418 176.094 -0.503 0.000 1.365 443 V CA 0.874 62.943 62.300 -0.385 0.000 1.286 443 V CB 0.150 31.749 31.823 -0.374 0.000 1.081 443 V HN 0.288 nan 8.190 nan 0.000 0.477 444 Y N -0.165 119.937 120.300 -0.330 0.000 2.630 444 Y HA 0.847 5.399 4.550 0.004 0.000 0.337 444 Y C 0.558 175.982 175.900 -0.794 0.000 1.051 444 Y CA -0.069 57.775 58.100 -0.427 0.000 1.121 444 Y CB 2.128 40.396 38.460 -0.321 0.000 1.299 444 Y HN 0.202 nan 8.280 nan 0.000 0.498 445 G N -0.410 107.989 108.800 -0.668 0.000 2.328 445 G HA2 0.582 4.544 3.960 0.003 0.000 0.295 445 G HA3 0.582 4.544 3.960 0.003 0.000 0.295 445 G C -2.284 172.475 174.900 -0.235 0.000 1.413 445 G CA -0.231 44.509 45.100 -0.601 0.000 0.817 445 G HN 0.885 nan 8.290 nan 0.000 0.546 446 A N -0.490 122.307 122.820 -0.038 0.000 2.486 446 A HA 0.947 5.269 4.320 0.003 0.000 0.300 446 A C -0.321 177.327 177.584 0.107 0.000 1.048 446 A CA -0.128 51.923 52.037 0.023 0.000 0.696 446 A CB 1.784 20.653 19.000 -0.218 0.000 1.278 446 A HN 1.550 nan 8.150 nan 0.000 0.405 447 S N -0.529 115.312 115.700 0.234 0.000 2.634 447 S HA 0.944 5.416 4.470 0.003 0.000 0.296 447 S C -0.333 174.503 174.600 0.392 0.000 1.104 447 S CA -0.002 58.398 58.200 0.333 0.000 0.920 447 S CB 1.931 65.389 63.200 0.429 0.000 1.111 447 S HN 1.923 nan 8.310 nan 0.000 0.493 448 A N 1.185 124.287 122.820 0.471 0.000 2.587 448 A HA 0.814 5.136 4.320 0.003 0.000 0.293 448 A C -2.242 175.794 177.584 0.754 0.000 1.087 448 A CA -0.553 51.797 52.037 0.523 0.000 0.692 448 A CB 1.465 20.687 19.000 0.370 0.000 1.291 448 A HN 0.865 nan 8.150 nan 0.000 0.407 449 Y N 0.752 121.381 120.300 0.548 0.000 2.330 449 Y HA 0.584 5.136 4.550 0.003 0.000 0.324 449 Y C -0.398 175.717 175.900 0.358 0.000 1.093 449 Y CA -0.735 57.671 58.100 0.510 0.000 1.103 449 Y CB 1.536 40.347 38.460 0.585 0.000 1.183 449 Y HN 1.086 nan 8.280 nan 0.000 0.433 450 A N 7.305 130.121 122.820 -0.008 0.000 2.798 450 A HA 0.471 4.793 4.320 0.003 0.000 0.316 450 A C -0.873 176.391 177.584 -0.534 0.000 1.506 450 A CA -0.557 51.339 52.037 -0.235 0.000 1.162 450 A CB -0.692 18.290 19.000 -0.031 0.000 1.138 450 A HN 0.774 nan 8.150 nan 0.000 0.532 451 L N 1.724 122.486 121.223 -0.769 0.000 2.456 451 L HA 0.446 4.788 4.340 0.003 0.000 0.272 451 L C -0.400 176.381 176.870 -0.148 0.000 1.189 451 L CA 0.820 55.325 54.840 -0.559 0.000 0.846 451 L CB 0.642 42.558 42.059 -0.239 0.000 1.111 451 L HN 0.564 nan 8.230 nan 0.000 0.475 452 D N 3.624 124.040 120.400 0.027 0.000 2.362 452 D HA 0.236 4.878 4.640 0.003 0.000 0.232 452 D C -2.102 174.348 176.300 0.251 0.000 1.329 452 D CA -0.143 53.914 54.000 0.094 0.000 0.944 452 D CB 0.032 40.866 40.800 0.057 0.000 1.471 452 D HN 0.441 nan 8.370 nan 0.000 0.533 453 Y N 1.713 122.074 120.300 0.101 0.000 2.521 453 Y HA 0.319 4.871 4.550 0.003 0.000 0.332 453 Y C -0.735 175.264 175.900 0.165 0.000 1.121 453 Y CA -0.867 57.321 58.100 0.148 0.000 1.037 453 Y CB 1.444 40.034 38.460 0.217 0.000 1.330 453 Y HN 0.127 nan 8.280 nan 0.000 0.452 454 D N 3.424 123.513 120.400 -0.518 0.000 2.686 454 D HA -0.199 4.443 4.640 0.003 0.000 0.235 454 D C 0.208 176.476 176.300 -0.053 0.000 1.160 454 D CA 1.881 55.709 54.000 -0.287 0.000 0.645 454 D CB -1.187 39.557 40.800 -0.093 0.000 1.039 454 D HN 0.712 nan 8.370 nan 0.000 0.423 455 S N -2.084 113.588 115.700 -0.047 0.000 3.641 455 S HA -0.239 4.233 4.470 0.003 0.000 0.346 455 S C -0.072 174.526 174.600 -0.002 0.000 1.074 455 S CA 0.876 59.067 58.200 -0.016 0.000 1.026 455 S CB -0.771 62.419 63.200 -0.017 0.000 0.908 455 S HN 0.569 nan 8.310 nan 0.000 0.479 456 L N 0.841 122.077 121.223 0.023 0.000 2.436 456 L HA 0.755 5.097 4.340 0.003 0.000 0.268 456 L C -0.857 176.030 176.870 0.027 0.000 0.974 456 L CA -0.111 54.741 54.840 0.020 0.000 0.826 456 L CB 1.909 43.988 42.059 0.034 0.000 1.291 456 L HN 0.077 nan 8.230 nan 0.000 0.406 457 Q N 3.484 123.274 119.800 -0.017 0.000 2.413 457 Q HA 1.000 5.342 4.340 0.003 0.000 0.276 457 Q C -1.262 174.688 176.000 -0.084 0.000 1.099 457 Q CA -0.293 55.481 55.803 -0.047 0.000 0.814 457 Q CB 2.438 31.137 28.738 -0.065 0.000 1.379 457 Q HN 0.967 nan 8.270 nan 0.000 0.436 458 A N 1.037 123.781 122.820 -0.126 0.000 2.590 458 A HA 0.659 4.981 4.320 0.003 0.000 0.294 458 A C -1.737 175.713 177.584 -0.225 0.000 1.046 458 A CA -0.932 51.013 52.037 -0.154 0.000 0.684 458 A CB 1.222 20.180 19.000 -0.069 0.000 1.279 458 A HN 0.330 nan 8.150 nan 0.000 0.415 459 K N 1.781 122.014 120.400 -0.279 0.000 2.316 459 K HA 0.448 4.770 4.320 0.003 0.000 0.267 459 K C -0.941 175.535 176.600 -0.205 0.000 1.025 459 K CA -0.113 55.967 56.287 -0.345 0.000 0.896 459 K CB 1.358 33.475 32.500 -0.637 0.000 1.124 459 K HN 0.634 nan 8.250 nan 0.000 0.451 460 K N 1.270 121.610 120.400 -0.099 0.000 2.221 460 K HA 0.711 5.033 4.320 0.003 0.000 0.258 460 K C -0.717 175.615 176.600 -0.446 0.000 0.944 460 K CA -0.696 55.448 56.287 -0.238 0.000 0.823 460 K CB 2.097 34.561 32.500 -0.059 0.000 1.113 460 K HN 0.597 nan 8.250 nan 0.000 0.431 461 A N 2.655 125.052 122.820 -0.705 0.000 2.515 461 A HA 0.738 5.060 4.320 0.003 0.000 0.296 461 A C -1.819 175.221 177.584 -0.906 0.000 1.094 461 A CA -0.774 50.896 52.037 -0.610 0.000 0.718 461 A CB 1.277 20.137 19.000 -0.233 0.000 1.307 461 A HN 0.680 nan 8.150 nan 0.000 0.408 462 W N 1.034 122.126 121.300 -0.346 0.000 2.715 462 W HA 0.529 5.192 4.660 0.005 0.000 0.331 462 W C -2.026 174.002 176.519 -0.819 0.000 1.031 462 W CA -0.626 56.426 57.345 -0.488 0.000 1.237 462 W CB 1.757 30.935 29.460 -0.470 0.000 1.378 462 W HN 0.535 nan 8.180 nan 0.000 0.454 463 F N 3.033 122.796 119.950 -0.312 0.000 2.347 463 F HA 0.388 4.920 4.527 0.008 0.000 0.366 463 F C -0.325 175.133 175.800 -0.570 0.000 1.107 463 F CA -0.938 56.886 58.000 -0.294 0.000 1.058 463 F CB 0.386 39.336 39.000 -0.083 0.000 1.236 463 F HN -0.015 nan 8.300 nan 0.000 0.456 464 F N 3.995 123.640 119.950 -0.509 0.000 2.411 464 F HA 0.547 5.076 4.527 0.004 0.000 0.355 464 F C -0.142 175.249 175.800 -0.682 0.000 1.117 464 F CA -0.743 56.860 58.000 -0.661 0.000 1.139 464 F CB 0.331 38.770 39.000 -0.935 0.000 1.120 464 F HN 0.276 nan 8.300 nan 0.000 0.493 465 F N 0.620 120.704 119.950 0.224 0.000 2.990 465 F HA 0.364 4.894 4.527 0.005 0.000 0.357 465 F C 1.283 177.358 175.800 0.458 0.000 1.395 465 F CA -0.676 57.554 58.000 0.384 0.000 1.087 465 F CB 0.328 39.477 39.000 0.248 0.000 1.655 465 F HN 0.221 nan 8.300 nan 0.000 0.456 466 D N -0.127 120.637 120.400 0.607 0.000 2.320 466 D HA 0.014 4.657 4.640 0.003 0.000 0.228 466 D C 1.553 178.107 176.300 0.423 0.000 0.978 466 D CA 1.140 55.398 54.000 0.430 0.000 0.905 466 D CB -0.139 40.837 40.800 0.293 0.000 1.051 466 D HN 0.342 nan 8.370 nan 0.000 0.471 467 K N 0.507 121.101 120.400 0.324 0.000 2.365 467 K HA 0.003 4.325 4.320 0.003 0.000 0.197 467 K C 0.781 177.455 176.600 0.123 0.000 1.042 467 K CA 0.541 56.953 56.287 0.209 0.000 0.987 467 K CB 0.502 33.085 32.500 0.139 0.000 0.779 467 K HN 0.281 nan 8.250 nan 0.000 0.484 468 E N 0.413 120.745 120.200 0.221 0.000 2.430 468 E HA 0.283 4.635 4.350 0.003 0.000 0.279 468 E C -1.301 175.398 176.600 0.166 0.000 1.003 468 E CA -0.869 55.598 56.400 0.112 0.000 0.801 468 E CB 1.083 30.850 29.700 0.111 0.000 1.313 468 E HN -0.133 nan 8.360 nan 0.000 0.459 469 I N 0.829 121.371 120.570 -0.046 0.000 2.439 469 I HA 0.230 4.402 4.170 0.003 0.000 0.285 469 I C -0.535 175.505 176.117 -0.129 0.000 1.021 469 I CA -0.794 60.343 61.300 -0.272 0.000 1.091 469 I CB 1.967 39.411 38.000 -0.927 0.000 1.242 469 I HN 0.323 nan 8.210 nan 0.000 0.439 470 V N 5.164 125.100 119.914 0.037 0.000 2.461 470 V HA 0.239 4.361 4.120 0.003 0.000 0.275 470 V C -0.280 175.815 176.094 0.001 0.000 1.047 470 V CA -0.321 62.019 62.300 0.067 0.000 0.955 470 V CB 0.961 32.877 31.823 0.155 0.000 0.988 470 V HN 0.808 nan 8.190 nan 0.000 0.471 471 C N 7.213 126.382 119.300 -0.218 0.000 2.281 471 C HA 0.681 5.143 4.460 0.003 0.000 0.323 471 C C 0.004 174.879 174.990 -0.193 0.000 1.270 471 C CA -0.885 57.909 59.018 -0.372 0.000 1.559 471 C CB -0.464 26.752 27.740 -0.874 0.000 2.239 471 C HN 0.717 nan 8.230 nan 0.000 0.488 472 L N 2.947 124.095 121.223 -0.125 0.000 2.362 472 L HA 0.884 5.226 4.340 0.003 0.000 0.271 472 L C 0.404 176.882 176.870 -0.654 0.000 1.002 472 L CA -0.207 54.487 54.840 -0.242 0.000 0.818 472 L CB 1.889 43.886 42.059 -0.103 0.000 1.298 472 L HN 0.806 nan 8.230 nan 0.000 0.420 473 G N 1.009 109.029 108.800 -1.300 0.000 2.591 473 G HA2 0.822 4.784 3.960 0.003 0.000 0.306 473 G HA3 0.822 4.784 3.960 0.003 0.000 0.306 473 G C -1.573 172.930 174.900 -0.662 0.000 1.334 473 G CA -0.320 44.013 45.100 -1.279 0.000 0.981 473 G HN 0.817 nan 8.290 nan 0.000 0.491 474 A N 0.034 122.609 122.820 -0.408 0.000 2.609 474 A HA 0.880 5.202 4.320 0.003 0.000 0.291 474 A C 0.698 178.127 177.584 -0.258 0.000 1.096 474 A CA 0.202 52.069 52.037 -0.282 0.000 0.684 474 A CB 1.008 19.875 19.000 -0.222 0.000 1.282 474 A HN 2.594 nan 8.150 nan 0.000 0.412 475 G N -0.175 108.500 108.800 -0.208 0.000 2.305 475 G HA2 -0.182 3.780 3.960 0.003 0.000 0.287 475 G HA3 -0.182 3.780 3.960 0.003 0.000 0.287 475 G C 0.001 174.793 174.900 -0.181 0.000 1.036 475 G CA 0.555 45.540 45.100 -0.192 0.000 0.887 475 G HN 1.003 nan 8.290 nan 0.000 0.505 476 I N 1.010 121.469 120.570 -0.186 0.000 2.363 476 I HA 0.214 4.386 4.170 0.003 0.000 0.292 476 I C 0.164 176.200 176.117 -0.135 0.000 1.075 476 I CA -0.239 60.951 61.300 -0.183 0.000 1.333 476 I CB 0.319 38.137 38.000 -0.303 0.000 1.415 476 I HN 0.110 nan 8.210 nan 0.000 0.502 477 N N 4.491 123.130 118.700 -0.102 0.000 2.262 477 N HA 0.547 5.289 4.740 0.003 0.000 0.295 477 N C -1.247 174.231 175.510 -0.053 0.000 1.161 477 N CA -0.570 52.436 53.050 -0.072 0.000 0.767 477 N CB 2.497 40.943 38.487 -0.068 0.000 1.499 477 N HN 0.476 nan 8.380 nan 0.000 0.476 478 S N 0.341 116.016 115.700 -0.043 0.000 2.542 478 S HA 0.260 4.732 4.470 0.003 0.000 0.276 478 S C -1.339 173.243 174.600 -0.030 0.000 1.148 478 S CA -0.738 57.441 58.200 -0.035 0.000 0.886 478 S CB 0.449 63.626 63.200 -0.039 0.000 1.109 478 S HN 0.667 nan 8.310 nan 0.000 0.458 479 N N 2.201 120.885 118.700 -0.026 0.000 2.328 479 N HA 0.415 5.157 4.740 0.003 0.000 0.247 479 N C -0.036 175.462 175.510 -0.020 0.000 1.165 479 N CA -0.104 52.933 53.050 -0.021 0.000 0.873 479 N CB 0.713 39.190 38.487 -0.018 0.000 1.125 479 N HN 0.592 nan 8.380 nan 0.000 0.513 480 A N 1.202 124.006 122.820 -0.027 0.000 2.256 480 A HA 0.619 4.941 4.320 0.003 0.000 0.318 480 A C -1.375 176.187 177.584 -0.036 0.000 1.103 480 A CA -1.341 50.679 52.037 -0.028 0.000 0.860 480 A CB 1.064 20.041 19.000 -0.039 0.000 1.182 480 A HN 0.116 nan 8.150 nan 0.000 0.501 481 P HA 0.042 nan 4.420 nan 0.000 0.222 481 P C -0.007 177.259 177.300 -0.057 0.000 1.157 481 P CA 0.584 63.664 63.100 -0.034 0.000 0.816 481 P CB 0.088 31.778 31.700 -0.016 0.000 0.813 482 E N 1.161 121.301 120.200 -0.099 0.000 2.422 482 E HA 0.089 4.441 4.350 0.003 0.000 0.260 482 E C 0.503 177.031 176.600 -0.120 0.000 1.108 482 E CA -0.108 56.206 56.400 -0.143 0.000 0.943 482 E CB -0.255 29.266 29.700 -0.299 0.000 0.961 482 E HN 0.070 nan 8.360 nan 0.000 0.443 483 N N 1.058 119.695 118.700 -0.105 0.000 2.508 483 N HA 0.044 4.786 4.740 0.003 0.000 0.264 483 N C -1.015 174.447 175.510 -0.080 0.000 1.216 483 N CA -0.182 52.830 53.050 -0.064 0.000 0.943 483 N CB 0.395 38.859 38.487 -0.039 0.000 1.113 483 N HN 0.253 nan 8.380 nan 0.000 0.447 484 I N 2.020 122.583 120.570 -0.011 0.000 2.359 484 I HA 0.292 4.464 4.170 0.003 0.000 0.294 484 I C 0.511 176.698 176.117 0.117 0.000 0.987 484 I CA -0.363 60.954 61.300 0.028 0.000 1.225 484 I CB 0.439 38.483 38.000 0.074 0.000 1.366 484 I HN 0.721 nan 8.210 nan 0.000 0.466 485 T N 1.263 115.857 114.554 0.066 0.000 2.906 485 T HA 0.663 5.016 4.350 0.003 0.000 0.295 485 T C -0.329 174.424 174.700 0.089 0.000 1.075 485 T CA -0.638 61.493 62.100 0.052 0.000 1.005 485 T CB 2.030 70.851 68.868 -0.078 0.000 1.136 485 T HN 0.453 nan 8.240 nan 0.000 0.498 486 T N 2.420 117.008 114.554 0.057 0.000 2.864 486 T HA 0.484 4.836 4.350 0.003 0.000 0.299 486 T C -0.331 174.351 174.700 -0.030 0.000 1.011 486 T CA -0.478 61.643 62.100 0.035 0.000 0.975 486 T CB 1.129 69.984 68.868 -0.022 0.000 0.962 486 T HN 0.793 nan 8.240 nan 0.000 0.448 487 T N 4.484 119.019 114.554 -0.031 0.000 2.794 487 T HA 0.218 4.570 4.350 0.003 0.000 0.296 487 T C 1.287 175.954 174.700 -0.055 0.000 0.949 487 T CA -0.495 61.583 62.100 -0.037 0.000 1.101 487 T CB 0.778 69.574 68.868 -0.120 0.000 0.905 487 T HN 0.252 nan 8.240 nan 0.000 0.516 488 L N 2.927 124.057 121.223 -0.154 0.000 2.131 488 L HA 0.289 4.631 4.340 0.003 0.000 0.206 488 L C 1.170 178.090 176.870 0.085 0.000 1.087 488 L CA 1.122 55.838 54.840 -0.207 0.000 0.767 488 L CB -0.193 41.599 42.059 -0.445 0.000 0.917 488 L HN 0.537 nan 8.230 nan 0.000 0.441 489 N N -1.345 117.368 118.700 0.022 0.000 3.322 489 N HA 0.201 4.943 4.740 0.003 0.000 0.233 489 N C -1.731 173.810 175.510 0.052 0.000 1.399 489 N CA -0.508 52.648 53.050 0.177 0.000 0.894 489 N CB 1.177 39.911 38.487 0.411 0.000 1.440 489 N HN -0.034 nan 8.380 nan 0.000 0.503 490 Q N 1.500 121.426 119.800 0.209 0.000 3.345 490 Q HA 0.405 4.747 4.340 0.003 0.000 0.204 490 Q C -1.663 174.570 176.000 0.389 0.000 0.847 490 Q CA -0.323 55.568 55.803 0.147 0.000 0.780 490 Q CB 0.174 28.870 28.738 -0.070 0.000 1.426 490 Q HN 0.720 nan 8.270 nan 0.000 0.460 491 S N 0.573 116.437 115.700 0.272 0.000 2.740 491 S HA 0.640 5.112 4.470 0.003 0.000 0.300 491 S C -0.644 174.000 174.600 0.074 0.000 1.147 491 S CA -0.869 57.362 58.200 0.051 0.000 0.871 491 S CB 0.680 63.844 63.200 -0.060 0.000 1.173 491 S HN 0.487 nan 8.310 nan 0.000 0.510 492 W N 0.816 122.165 121.300 0.082 0.000 2.264 492 W HA 0.356 5.018 4.660 0.003 0.000 0.331 492 W C 0.353 176.993 176.519 0.202 0.000 1.364 492 W CA -0.603 56.800 57.345 0.096 0.000 1.253 492 W CB 0.357 29.831 29.460 0.024 0.000 1.215 492 W HN 0.514 nan 8.180 nan 0.000 0.561 493 L N 4.669 126.191 121.223 0.497 0.000 2.455 493 L HA 0.044 4.386 4.340 0.003 0.000 0.272 493 L C -0.171 176.932 176.870 0.388 0.000 1.174 493 L CA 0.685 55.789 54.840 0.440 0.000 0.869 493 L CB 0.040 42.284 42.059 0.308 0.000 1.130 493 L HN 0.483 nan 8.230 nan 0.000 0.474 494 N N 3.692 122.649 118.700 0.427 0.000 2.707 494 N HA 0.601 5.343 4.740 0.003 0.000 0.249 494 N C -0.507 175.010 175.510 0.013 0.000 1.299 494 N CA 0.586 53.705 53.050 0.116 0.000 0.769 494 N CB 0.696 39.185 38.487 0.004 0.000 1.236 494 N HN 1.031 nan 8.380 nan 0.000 0.524 495 G N 2.233 111.082 108.800 0.081 0.000 2.631 495 G HA2 -0.122 3.840 3.960 0.003 0.000 0.504 495 G HA3 -0.122 3.840 3.960 0.003 0.000 0.504 495 G C -2.916 172.059 174.900 0.126 0.000 1.306 495 G CA -0.738 44.395 45.100 0.055 0.000 0.897 495 G HN 0.429 nan 8.290 nan 0.000 0.520 496 P HA 0.534 nan 4.420 nan 0.000 0.277 496 P C -0.404 176.996 177.300 0.166 0.000 1.240 496 P CA -0.320 62.854 63.100 0.124 0.000 0.798 496 P CB 1.561 33.312 31.700 0.084 0.000 0.979 497 V N 3.940 123.958 119.914 0.174 0.000 2.328 497 V HA 0.298 4.420 4.120 0.003 0.000 0.278 497 V C 0.600 176.783 176.094 0.149 0.000 1.021 497 V CA -0.455 61.963 62.300 0.195 0.000 0.838 497 V CB 0.620 32.578 31.823 0.224 0.000 0.999 497 V HN 0.388 nan 8.190 nan 0.000 0.447 498 I N 4.895 125.562 120.570 0.163 0.000 2.392 498 I HA 0.625 4.797 4.170 0.003 0.000 0.295 498 I C 0.475 176.609 176.117 0.028 0.000 0.985 498 I CA 0.109 61.484 61.300 0.124 0.000 1.221 498 I CB 2.001 40.129 38.000 0.213 0.000 1.366 498 I HN 0.761 nan 8.210 nan 0.000 0.467 499 S N 2.248 117.804 115.700 -0.241 0.000 2.851 499 S HA 0.654 5.126 4.470 0.003 0.000 0.313 499 S C 0.015 173.924 174.600 -1.152 0.000 1.163 499 S CA -0.591 57.175 58.200 -0.723 0.000 0.850 499 S CB 1.061 64.094 63.200 -0.277 0.000 1.245 499 S HN 0.743 nan 8.310 nan 0.000 0.558 500 T N 0.580 114.318 114.554 -1.359 0.000 2.759 500 T HA 0.527 4.879 4.350 0.003 0.000 0.273 500 T C 0.767 175.287 174.700 -0.300 0.000 0.938 500 T CA 0.379 61.975 62.100 -0.841 0.000 1.197 500 T CB -1.873 nan 68.868 nan 0.000 0.887 500 T HN 2.272 nan 8.240 nan 0.000 0.540 501 A N 2.305 125.011 122.820 -0.190 0.000 1.815 501 A HA 0.445 4.767 4.320 0.003 0.000 0.239 501 A C 0.993 178.519 177.584 -0.098 0.000 1.327 501 A CA 0.880 52.870 52.037 -0.079 0.000 0.710 501 A CB -1.306 nan 19.000 nan 0.000 1.192 501 A HN 2.961 nan 8.150 nan 0.000 0.255 502 G N -0.801 107.948 108.800 -0.085 0.000 2.226 502 G HA2 0.721 4.683 3.960 0.003 0.000 0.257 502 G HA3 0.721 4.683 3.960 0.003 0.000 0.257 502 G C -0.967 173.907 174.900 -0.045 0.000 1.732 502 G CA 0.379 45.434 45.100 -0.074 0.000 0.914 502 G HN 2.256 nan 8.290 nan 0.000 0.742 503 K N 0.351 120.742 120.400 -0.015 0.000 2.244 503 K HA 0.941 5.263 4.320 0.003 0.000 0.260 503 K C -0.095 176.518 176.600 0.021 0.000 0.951 503 K CA -0.444 55.854 56.287 0.018 0.000 0.826 503 K CB 1.930 nan 32.500 nan 0.000 1.108 503 K HN 0.989 nan 8.250 nan 0.000 0.433 504 T N 1.599 116.183 114.554 0.050 0.000 2.786 504 T HA 0.609 4.961 4.350 0.003 0.000 0.283 504 T C 0.550 175.297 174.700 0.078 0.000 0.992 504 T CA -0.197 61.937 62.100 0.056 0.000 0.954 504 T CB 1.398 70.311 68.868 0.075 0.000 0.934 504 T HN 0.882 nan 8.240 nan 0.000 0.440 505 G N 1.509 110.346 108.800 0.063 0.000 2.557 505 G HA2 0.517 4.479 3.960 0.003 0.000 0.302 505 G HA3 0.517 4.479 3.960 0.003 0.000 0.302 505 G C -0.104 174.843 174.900 0.079 0.000 1.311 505 G CA -0.857 44.286 45.100 0.071 0.000 1.030 505 G HN 0.732 nan 8.290 nan 0.000 0.509 506 R N -0.812 119.737 120.500 0.081 0.000 2.758 506 R HA 0.265 4.607 4.340 0.003 0.000 0.263 506 R C 1.193 177.535 176.300 0.069 0.000 1.010 506 R CA 1.207 57.358 56.100 0.085 0.000 1.114 506 R CB -0.217 30.130 30.300 0.079 0.000 0.985 506 R HN 1.432 nan 8.270 nan 0.000 0.439 507 G N 0.627 109.471 108.800 0.073 0.000 2.198 507 G HA2 -0.304 3.658 3.960 0.003 0.000 0.260 507 G HA3 -0.304 3.658 3.960 0.003 0.000 0.260 507 G C -0.150 174.779 174.900 0.049 0.000 1.025 507 G CA 0.811 45.947 45.100 0.060 0.000 0.769 507 G HN 0.888 nan 8.290 nan 0.000 0.507 508 K N -0.519 119.912 120.400 0.050 0.000 2.340 508 K HA 0.918 5.240 4.320 0.003 0.000 0.244 508 K C -0.470 176.147 176.600 0.030 0.000 0.973 508 K CA -0.513 55.796 56.287 0.035 0.000 0.828 508 K CB 2.369 34.887 32.500 0.031 0.000 1.226 508 K HN 1.085 nan 8.250 nan 0.000 0.437 509 I N 1.537 122.116 120.570 0.015 0.000 2.534 509 I HA 0.658 4.830 4.170 0.003 0.000 0.288 509 I C -1.270 174.836 176.117 -0.018 0.000 1.077 509 I CA -0.122 61.177 61.300 -0.002 0.000 1.051 509 I CB 1.761 39.774 38.000 0.022 0.000 1.234 509 I HN 0.783 nan 8.210 nan 0.000 0.425 510 T N 5.485 120.014 114.554 -0.042 0.000 2.971 510 T HA 0.594 4.946 4.350 0.003 0.000 0.304 510 T C -0.996 173.683 174.700 -0.035 0.000 1.038 510 T CA -0.094 62.005 62.100 -0.002 0.000 1.007 510 T CB 0.982 69.879 68.868 0.048 0.000 1.055 510 T HN 0.670 nan 8.240 nan 0.000 0.451 511 T N 5.826 120.351 114.554 -0.048 0.000 2.792 511 T HA 0.781 5.133 4.350 0.003 0.000 0.280 511 T C -1.064 173.597 174.700 -0.065 0.000 0.990 511 T CA -0.452 61.528 62.100 -0.201 0.000 0.960 511 T CB 0.195 68.936 68.868 -0.211 0.000 0.939 511 T HN 0.581 nan 8.240 nan 0.000 0.439 512 F N -0.202 119.557 119.950 -0.318 0.000 2.693 512 F HA 0.636 5.164 4.527 0.002 0.000 0.309 512 F C -0.911 174.671 175.800 -0.362 0.000 1.129 512 F CA -1.534 56.281 58.000 -0.309 0.000 0.948 512 F CB 1.560 40.367 39.000 -0.322 0.000 1.315 512 F HN 0.306 nan 8.300 nan 0.000 0.447 513 K N 2.419 122.708 120.400 -0.186 0.000 2.273 513 K HA 0.715 5.037 4.320 0.003 0.000 0.287 513 K C -0.347 176.114 176.600 -0.231 0.000 1.089 513 K CA -0.358 55.769 56.287 -0.266 0.000 0.909 513 K CB 0.720 33.122 32.500 -0.164 0.000 1.123 513 K HN 0.941 nan 8.250 nan 0.000 0.473 514 A N 4.432 126.988 122.820 -0.440 0.000 2.440 514 A HA 0.144 4.466 4.320 0.003 0.000 0.251 514 A C -0.155 177.291 177.584 -0.229 0.000 1.089 514 A CA -0.419 51.326 52.037 -0.486 0.000 0.779 514 A CB 0.425 18.953 19.000 -0.786 0.000 1.022 514 A HN 0.735 nan 8.150 nan 0.000 0.492 515 Q N 0.821 120.552 119.800 -0.115 0.000 2.237 515 Q HA 0.400 4.742 4.340 0.003 0.000 0.219 515 Q C 0.789 176.838 176.000 0.082 0.000 0.999 515 Q CA 0.111 55.911 55.803 -0.006 0.000 0.959 515 Q CB 0.457 29.206 28.738 0.017 0.000 1.173 515 Q HN 0.892 nan 8.270 nan 0.000 0.527 516 G N 0.279 109.122 108.800 0.072 0.000 2.391 516 G HA2 0.031 3.994 3.960 0.003 0.000 0.234 516 G HA3 0.031 3.994 3.960 0.003 0.000 0.234 516 G C -0.108 174.865 174.900 0.121 0.000 1.284 516 G CA 0.059 45.209 45.100 0.083 0.000 0.873 516 G HN 0.712 nan 8.290 nan 0.000 0.549 517 Q N -0.999 118.822 119.800 0.036 0.000 2.460 517 Q HA -0.246 4.096 4.340 0.003 0.000 0.248 517 Q C 0.204 176.374 176.000 0.283 0.000 0.847 517 Q CA 0.627 56.450 55.803 0.033 0.000 1.214 517 Q CB -1.814 27.083 28.738 0.265 0.000 1.523 517 Q HN 0.566 nan 8.270 nan 0.000 0.602 518 F N 2.041 122.083 119.950 0.154 0.000 2.459 518 F HA 0.367 4.895 4.527 0.001 0.000 0.346 518 F C 0.287 176.385 175.800 0.496 0.000 1.128 518 F CA 0.073 58.204 58.000 0.219 0.000 1.268 518 F CB 0.534 39.595 39.000 0.101 0.000 1.161 518 F HN 0.138 nan 8.300 nan 0.000 0.583 519 W N 6.208 127.103 121.300 -0.674 0.000 3.083 519 W HA 0.700 5.360 4.660 -0.000 0.000 0.333 519 W C -2.603 173.640 176.519 -0.459 0.000 1.217 519 W CA -1.396 55.805 57.345 -0.239 0.000 1.170 519 W CB 0.854 30.376 29.460 0.102 0.000 1.437 519 W HN 0.536 nan 8.180 nan 0.000 0.557 520 L N 2.587 124.016 121.223 0.343 0.000 2.371 520 L HA 0.673 5.015 4.340 0.003 0.000 0.262 520 L C -1.289 175.936 176.870 0.592 0.000 1.006 520 L CA -1.137 53.918 54.840 0.360 0.000 0.818 520 L CB 2.461 44.799 42.059 0.465 0.000 1.354 520 L HN 0.377 nan 8.230 nan 0.000 0.415 521 L N 2.734 124.247 121.223 0.484 0.000 2.438 521 L HA 0.594 4.936 4.340 0.003 0.000 0.270 521 L C -1.301 175.732 176.870 0.272 0.000 0.972 521 L CA 0.039 55.100 54.840 0.368 0.000 0.831 521 L CB 1.503 43.763 42.059 0.334 0.000 1.273 521 L HN 0.607 nan 8.230 nan 0.000 0.405 522 H N 4.297 123.396 119.070 0.049 0.000 3.087 522 H HA 0.248 4.806 4.556 0.003 0.000 0.348 522 H C -0.824 174.413 175.328 -0.150 0.000 1.092 522 H CA -0.196 55.756 56.048 -0.160 0.000 1.285 522 H CB 1.754 31.128 29.762 -0.646 0.000 1.875 522 H HN 0.783 nan 8.280 nan 0.000 0.512 523 D N 4.145 124.074 120.400 -0.784 0.000 2.751 523 D HA -0.228 4.414 4.640 0.003 0.000 0.233 523 D C 0.846 177.005 176.300 -0.236 0.000 1.149 523 D CA 2.044 55.708 54.000 -0.560 0.000 0.682 523 D CB -1.435 38.937 40.800 -0.714 0.000 1.068 523 D HN 1.139 nan 8.370 nan 0.000 0.429 524 A N -1.559 121.166 122.820 -0.159 0.000 3.172 524 A HA -0.277 4.045 4.320 0.003 0.000 0.263 524 A C 0.663 178.187 177.584 -0.099 0.000 1.215 524 A CA 1.243 53.223 52.037 -0.095 0.000 1.065 524 A CB -2.055 16.905 19.000 -0.066 0.000 1.148 524 A HN 0.572 nan 8.150 nan 0.000 0.904 525 I N 0.360 120.864 120.570 -0.110 0.000 2.362 525 I HA 0.556 4.729 4.170 0.003 0.000 0.289 525 I C 0.919 176.875 176.117 -0.269 0.000 0.994 525 I CA -0.118 61.061 61.300 -0.201 0.000 1.158 525 I CB 1.794 39.678 38.000 -0.193 0.000 1.315 525 I HN 0.356 nan 8.210 nan 0.000 0.451 526 G N 5.243 113.853 108.800 -0.317 0.000 2.389 526 G HA2 0.564 4.526 3.960 0.003 0.000 0.317 526 G HA3 0.564 4.526 3.960 0.003 0.000 0.317 526 G C -1.467 173.222 174.900 -0.351 0.000 1.137 526 G CA -0.217 44.772 45.100 -0.185 0.000 0.870 526 G HN 0.462 nan 8.290 nan 0.000 0.496 527 Y N 0.462 120.873 120.300 0.186 0.000 2.332 527 Y HA 0.348 4.899 4.550 0.002 0.000 0.326 527 Y C -0.794 175.164 175.900 0.096 0.000 0.978 527 Y CA -0.900 57.271 58.100 0.117 0.000 1.205 527 Y CB 1.825 40.387 38.460 0.170 0.000 1.131 527 Y HN 0.595 nan 8.280 nan 0.000 0.462 528 Y N 3.779 124.062 120.300 -0.030 0.000 2.352 528 Y HA 0.639 5.189 4.550 0.000 0.000 0.339 528 Y C -1.667 174.166 175.900 -0.111 0.000 0.992 528 Y CA -2.109 56.043 58.100 0.088 0.000 1.100 528 Y CB 0.755 39.343 38.460 0.214 0.000 1.192 528 Y HN 0.464 nan 8.280 nan 0.000 0.458 529 F N 8.423 128.300 119.950 -0.122 0.000 2.311 529 F HA 0.394 4.921 4.527 0.001 0.000 0.371 529 F C -1.839 173.767 175.800 -0.324 0.000 1.083 529 F CA -2.405 55.555 58.000 -0.066 0.000 1.113 529 F CB 1.170 40.244 39.000 0.123 0.000 1.349 529 F HN 0.464 nan 8.300 nan 0.000 0.470 530 P HA -0.199 nan 4.420 nan 0.000 0.216 530 P C 0.544 177.843 177.300 -0.003 0.000 1.154 530 P CA 1.748 64.779 63.100 -0.116 0.000 0.865 530 P CB 0.275 31.994 31.700 0.031 0.000 0.789 531 E N -1.415 118.828 120.200 0.071 0.000 2.548 531 E HA 0.342 4.694 4.350 0.003 0.000 0.206 531 E C 0.818 177.468 176.600 0.084 0.000 1.005 531 E CA -0.027 56.416 56.400 0.071 0.000 0.951 531 E CB 0.230 29.971 29.700 0.068 0.000 1.035 531 E HN 0.115 nan 8.360 nan 0.000 0.470 532 G N 1.434 110.313 108.800 0.131 0.000 2.741 532 G HA2 0.026 3.988 3.960 0.003 0.000 0.222 532 G HA3 0.026 3.988 3.960 0.003 0.000 0.222 532 G C -0.399 174.508 174.900 0.012 0.000 1.364 532 G CA -0.577 44.559 45.100 0.060 0.000 0.866 532 G HN 0.668 nan 8.290 nan 0.000 0.555 533 A N -1.080 121.631 122.820 -0.183 0.000 2.517 533 A HA 0.609 4.931 4.320 0.003 0.000 0.296 533 A C -0.803 176.549 177.584 -0.387 0.000 0.983 533 A CA 0.019 51.927 52.037 -0.215 0.000 0.634 533 A CB 0.420 19.317 19.000 -0.172 0.000 1.341 533 A HN 1.378 nan 8.150 nan 0.000 0.438 534 N N 1.384 119.881 118.700 -0.338 0.000 2.482 534 N HA 0.448 5.190 4.740 0.003 0.000 0.242 534 N C -0.721 174.445 175.510 -0.573 0.000 1.100 534 N CA 0.212 53.014 53.050 -0.414 0.000 0.946 534 N CB 0.473 38.792 38.487 -0.280 0.000 1.227 534 N HN 0.549 nan 8.380 nan 0.000 0.508 535 L N 0.580 121.290 121.223 -0.855 0.000 2.375 535 L HA 0.462 4.804 4.340 0.003 0.000 0.268 535 L C 0.498 176.719 176.870 -1.080 0.000 1.058 535 L CA -0.464 53.767 54.840 -1.014 0.000 0.803 535 L CB 1.223 42.534 42.059 -1.246 0.000 1.212 535 L HN 0.233 nan 8.230 nan 0.000 0.451 536 S N 2.231 117.225 115.700 -1.176 0.000 2.779 536 S HA 0.491 4.963 4.470 0.003 0.000 0.293 536 S C -1.162 172.706 174.600 -1.220 0.000 1.150 536 S CA -0.415 57.011 58.200 -1.290 0.000 1.057 536 S CB 1.478 63.525 63.200 -1.921 0.000 1.021 536 S HN 0.345 nan 8.310 nan 0.000 0.485 537 L N 3.838 124.671 121.223 -0.649 0.000 2.313 537 L HA 0.840 5.182 4.340 0.003 0.000 0.283 537 L C -0.344 176.382 176.870 -0.240 0.000 1.013 537 L CA 0.184 54.792 54.840 -0.386 0.000 0.816 537 L CB 1.655 43.660 42.059 -0.090 0.000 1.236 537 L HN 0.540 nan 8.230 nan 0.000 0.419 538 S N 2.034 117.629 115.700 -0.176 0.000 2.521 538 S HA 0.724 5.196 4.470 0.003 0.000 0.295 538 S C 0.100 174.697 174.600 -0.006 0.000 1.098 538 S CA 0.178 58.365 58.200 -0.022 0.000 0.999 538 S CB 1.337 64.611 63.200 0.123 0.000 1.034 538 S HN 0.840 nan 8.310 nan 0.000 0.483 539 T N 1.136 115.722 114.554 0.053 0.000 3.393 539 T HA 0.353 4.705 4.350 0.003 0.000 0.298 539 T C 0.103 174.864 174.700 0.101 0.000 1.004 539 T CA -0.467 61.693 62.100 0.101 0.000 0.956 539 T CB -0.176 68.767 68.868 0.126 0.000 1.182 539 T HN 0.641 nan 8.240 nan 0.000 0.497 540 Q N 1.265 121.116 119.800 0.085 0.000 2.396 540 Q HA 0.516 4.858 4.340 0.003 0.000 0.221 540 Q C 0.133 176.192 176.000 0.099 0.000 1.025 540 Q CA -0.558 55.294 55.803 0.082 0.000 0.946 540 Q CB 0.662 29.441 28.738 0.069 0.000 1.224 540 Q HN 0.353 nan 8.270 nan 0.000 0.539 541 S N -0.014 115.740 115.700 0.090 0.000 2.565 541 S HA 0.160 4.632 4.470 0.003 0.000 0.274 541 S C -0.849 173.806 174.600 0.092 0.000 1.309 541 S CA -0.412 57.850 58.200 0.104 0.000 1.043 541 S CB 0.510 63.760 63.200 0.083 0.000 0.939 541 S HN 0.420 nan 8.310 nan 0.000 0.504 542 Q N 1.662 121.528 119.800 0.109 0.000 2.413 542 Q HA 0.628 4.970 4.340 0.003 0.000 0.276 542 Q C -1.277 174.774 176.000 0.084 0.000 1.099 542 Q CA -1.122 54.729 55.803 0.080 0.000 0.814 542 Q CB 2.074 30.850 28.738 0.063 0.000 1.379 542 Q HN 0.711 nan 8.270 nan 0.000 0.436 543 K N -0.898 119.536 120.400 0.057 0.000 2.522 543 K HA 0.932 5.254 4.320 0.003 0.000 0.275 543 K C -0.669 175.945 176.600 0.022 0.000 1.006 543 K CA -0.684 55.631 56.287 0.046 0.000 0.890 543 K CB 1.480 34.003 32.500 0.038 0.000 1.475 543 K HN 0.765 nan 8.250 nan 0.000 0.441 544 G N 0.079 108.883 108.800 0.007 0.000 2.336 544 G HA2 0.316 4.278 3.960 0.003 0.000 0.300 544 G HA3 0.316 4.278 3.960 0.003 0.000 0.300 544 G C -1.962 172.950 174.900 0.021 0.000 1.375 544 G CA -0.609 44.468 45.100 -0.037 0.000 0.885 544 G HN 1.058 nan 8.290 nan 0.000 0.599 545 N N -1.684 117.068 118.700 0.088 0.000 2.525 545 N HA 0.593 5.335 4.740 0.003 0.000 0.288 545 N C 0.443 176.123 175.510 0.283 0.000 1.242 545 N CA -1.143 52.021 53.050 0.190 0.000 0.905 545 N CB 1.022 39.660 38.487 0.251 0.000 1.258 545 N HN 0.575 nan 8.380 nan 0.000 0.551 546 W N -1.061 120.399 121.300 0.266 0.000 2.436 546 W HA 0.133 4.795 4.660 0.004 0.000 0.284 546 W C 1.717 178.363 176.519 0.212 0.000 1.225 546 W CA -0.048 57.414 57.345 0.195 0.000 1.271 546 W CB -0.458 29.086 29.460 0.140 0.000 1.114 546 W HN 0.570 nan 8.180 nan 0.000 0.559 547 F N 1.789 121.959 119.950 0.366 0.000 2.063 547 F HA -0.372 4.157 4.527 0.003 0.000 0.298 547 F C 2.998 178.906 175.800 0.179 0.000 1.109 547 F CA 2.455 60.599 58.000 0.240 0.000 1.212 547 F CB -0.922 38.189 39.000 0.185 0.000 0.973 547 F HN 0.083 nan 8.300 nan 0.000 0.480 548 H N 0.756 119.898 119.070 0.119 0.000 2.560 548 H HA -0.093 4.465 4.556 0.003 0.000 0.283 548 H C 1.560 176.779 175.328 -0.181 0.000 1.028 548 H CA 1.711 57.731 56.048 -0.047 0.000 1.221 548 H CB -1.056 28.736 29.762 0.050 0.000 1.363 548 H HN 0.582 nan 8.280 nan 0.000 0.594 549 I N -3.375 116.914 120.570 -0.468 0.000 4.227 549 I HA 0.333 4.506 4.170 0.003 0.000 0.334 549 I C -0.096 175.854 176.117 -0.279 0.000 1.341 549 I CA -0.281 60.700 61.300 -0.532 0.000 1.123 549 I CB 0.551 38.183 38.000 -0.613 0.000 1.097 549 I HN -0.040 nan 8.210 nan 0.000 0.399 550 N N 1.938 120.538 118.700 -0.166 0.000 2.812 550 N HA 0.176 4.918 4.740 0.003 0.000 0.262 550 N C -0.830 174.595 175.510 -0.142 0.000 1.241 550 N CA -0.255 52.751 53.050 -0.073 0.000 0.854 550 N CB 0.796 39.376 38.487 0.154 0.000 1.506 550 N HN 0.167 nan 8.380 nan 0.000 0.576 551 N N 0.205 118.686 118.700 -0.365 0.000 2.609 551 N HA -0.043 4.699 4.740 0.003 0.000 0.190 551 N C 0.504 175.985 175.510 -0.048 0.000 1.157 551 N CA 0.405 53.142 53.050 -0.520 0.000 0.918 551 N CB 0.312 38.506 38.487 -0.488 0.000 0.978 551 N HN 0.308 nan 8.380 nan 0.000 0.448 552 S N -0.512 115.152 115.700 -0.061 0.000 2.575 552 S HA 0.081 4.553 4.470 0.003 0.000 0.215 552 S C 0.031 174.363 174.600 -0.447 0.000 0.966 552 S CA 0.151 58.234 58.200 -0.196 0.000 0.911 552 S CB 0.143 63.177 63.200 -0.275 0.000 0.780 552 S HN 0.349 nan 8.310 nan 0.000 0.514 553 H N 0.167 119.337 119.070 0.166 0.000 2.855 553 H HA 0.355 4.913 4.556 0.003 0.000 0.363 553 H C -0.002 175.505 175.328 0.298 0.000 1.185 553 H CA -0.794 55.356 56.048 0.170 0.000 1.174 553 H CB 1.090 30.902 29.762 0.084 0.000 1.857 553 H HN 0.073 nan 8.280 nan 0.000 0.565 554 S N 0.075 115.985 115.700 0.350 0.000 2.561 554 S HA -0.083 4.389 4.470 0.003 0.000 0.294 554 S C 0.911 175.709 174.600 0.330 0.000 1.294 554 S CA 0.101 58.465 58.200 0.274 0.000 1.055 554 S CB 0.216 63.550 63.200 0.223 0.000 0.819 554 S HN 0.536 nan 8.310 nan 0.000 0.503 555 K N 1.966 122.460 120.400 0.157 0.000 2.404 555 K HA 0.124 4.446 4.320 0.003 0.000 0.194 555 K C -0.268 176.394 176.600 0.104 0.000 1.023 555 K CA -0.148 56.196 56.287 0.094 0.000 1.094 555 K CB 0.146 32.529 32.500 -0.195 0.000 0.841 555 K HN 0.587 nan 8.250 nan 0.000 0.523 556 D N 2.638 123.117 120.400 0.133 0.000 2.414 556 D HA -0.047 4.595 4.640 0.003 0.000 0.242 556 D C -0.096 176.281 176.300 0.129 0.000 1.129 556 D CA 0.339 54.406 54.000 0.111 0.000 0.885 556 D CB 0.847 41.716 40.800 0.115 0.000 1.198 556 D HN 0.159 nan 8.370 nan 0.000 0.437 557 E N 1.091 121.340 120.200 0.083 0.000 2.360 557 E HA 0.253 4.605 4.350 0.003 0.000 0.269 557 E C -0.628 176.019 176.600 0.078 0.000 1.022 557 E CA -0.675 55.766 56.400 0.068 0.000 0.887 557 E CB 0.807 30.531 29.700 0.040 0.000 0.990 557 E HN 0.228 nan 8.360 nan 0.000 0.426 558 V N 1.114 121.068 119.914 0.067 0.000 2.715 558 V HA 0.793 4.915 4.120 0.003 0.000 0.310 558 V C -0.476 175.658 176.094 0.067 0.000 1.054 558 V CA -0.611 61.733 62.300 0.072 0.000 0.928 558 V CB 1.890 33.753 31.823 0.067 0.000 1.007 558 V HN 0.617 nan 8.190 nan 0.000 0.437 559 S N 1.111 116.857 115.700 0.076 0.000 2.618 559 S HA 1.023 5.495 4.470 0.003 0.000 0.277 559 S C -0.097 174.571 174.600 0.113 0.000 1.138 559 S CA -0.170 58.087 58.200 0.094 0.000 0.844 559 S CB 1.878 65.116 63.200 0.064 0.000 1.127 559 S HN 1.814 nan 8.310 nan 0.000 0.474 560 G N 0.688 109.597 108.800 0.182 0.000 2.442 560 G HA2 0.448 4.410 3.960 0.003 0.000 0.296 560 G HA3 0.448 4.410 3.960 0.003 0.000 0.296 560 G C -2.483 172.600 174.900 0.306 0.000 1.564 560 G CA -0.843 44.383 45.100 0.209 0.000 0.828 560 G HN 0.486 nan 8.290 nan 0.000 0.571 561 D N 0.254 120.805 120.400 0.252 0.000 2.348 561 D HA 0.433 5.075 4.640 0.003 0.000 0.253 561 D C 0.102 176.625 176.300 0.372 0.000 1.161 561 D CA 0.230 54.379 54.000 0.247 0.000 0.876 561 D CB 1.929 42.837 40.800 0.180 0.000 1.160 561 D HN 0.196 nan 8.370 nan 0.000 0.459 562 V N 3.478 123.550 119.914 0.264 0.000 2.495 562 V HA 0.244 4.366 4.120 0.003 0.000 0.298 562 V C -0.337 175.861 176.094 0.173 0.000 1.031 562 V CA -1.052 61.374 62.300 0.210 0.000 0.871 562 V CB 1.559 33.426 31.823 0.074 0.000 0.988 562 V HN 0.353 nan 8.190 nan 0.000 0.432 563 F N 5.529 125.489 119.950 0.017 0.000 2.413 563 F HA 0.543 5.072 4.527 0.002 0.000 0.359 563 F C 0.091 175.867 175.800 -0.039 0.000 1.122 563 F CA -0.250 57.681 58.000 -0.116 0.000 1.160 563 F CB 0.326 39.082 39.000 -0.407 0.000 1.146 563 F HN 0.433 nan 8.300 nan 0.000 0.514 564 K N 7.045 127.128 120.400 -0.529 0.000 2.463 564 K HA 0.608 4.930 4.320 0.003 0.000 0.255 564 K C -2.226 174.113 176.600 -0.435 0.000 0.942 564 K CA -0.949 55.123 56.287 -0.358 0.000 0.814 564 K CB 1.379 33.868 32.500 -0.018 0.000 1.122 564 K HN 0.699 nan 8.250 nan 0.000 0.425 565 L N 6.193 127.148 121.223 -0.445 0.000 2.409 565 L HA 0.707 5.049 4.340 0.003 0.000 0.272 565 L C -1.955 174.860 176.870 -0.093 0.000 0.980 565 L CA -0.083 54.509 54.840 -0.413 0.000 0.826 565 L CB 0.944 42.606 42.059 -0.661 0.000 1.268 565 L HN 0.783 nan 8.230 nan 0.000 0.407 566 W N 4.228 125.316 121.300 -0.353 0.000 3.075 566 W HA 0.810 5.472 4.660 0.004 0.000 0.334 566 W C -1.914 174.406 176.519 -0.331 0.000 1.243 566 W CA -1.134 56.020 57.345 -0.319 0.000 1.170 566 W CB 0.629 29.921 29.460 -0.280 0.000 1.452 566 W HN 0.383 nan 8.180 nan 0.000 0.572 567 I N 3.047 123.533 120.570 -0.140 0.000 2.437 567 I HA 0.250 4.422 4.170 0.003 0.000 0.298 567 I C -0.369 175.573 176.117 -0.292 0.000 0.984 567 I CA -1.064 60.048 61.300 -0.314 0.000 1.214 567 I CB 1.184 39.009 38.000 -0.292 0.000 1.365 567 I HN 0.373 nan 8.210 nan 0.000 0.469 568 N N 5.350 123.850 118.700 -0.333 0.000 2.457 568 N HA 0.234 4.976 4.740 0.003 0.000 0.250 568 N C 0.269 175.625 175.510 -0.256 0.000 0.982 568 N CA -0.435 52.490 53.050 -0.208 0.000 0.941 568 N CB 1.179 39.580 38.487 -0.143 0.000 1.120 568 N HN 0.560 nan 8.380 nan 0.000 0.505 569 H N 1.169 120.249 119.070 0.017 0.000 2.563 569 H HA 0.157 4.714 4.556 0.002 0.000 0.264 569 H C 1.417 176.739 175.328 -0.009 0.000 0.957 569 H CA 0.623 56.679 56.048 0.013 0.000 1.173 569 H CB 0.615 30.399 29.762 0.036 0.000 1.420 569 H HN 0.814 nan 8.280 nan 0.000 0.551 570 G N 0.437 109.277 108.800 0.067 0.000 2.756 570 G HA2 -0.032 3.930 3.960 0.003 0.000 0.678 570 G HA3 -0.032 3.930 3.960 0.003 0.000 0.678 570 G C -0.306 174.608 174.900 0.023 0.000 1.349 570 G CA -0.419 44.697 45.100 0.026 0.000 0.847 570 G HN 0.551 nan 8.290 nan 0.000 0.548 571 A N 0.049 122.868 122.820 -0.002 0.000 2.351 571 A HA 0.737 5.059 4.320 0.003 0.000 0.257 571 A C 1.375 178.952 177.584 -0.011 0.000 1.087 571 A CA 0.900 52.927 52.037 -0.016 0.000 0.798 571 A CB 0.053 19.039 19.000 -0.023 0.000 1.033 571 A HN 1.856 nan 8.150 nan 0.000 0.488 572 R N -0.400 120.088 120.500 -0.020 0.000 3.158 572 R HA -0.136 4.206 4.340 0.003 0.000 0.244 572 R C -2.214 174.076 176.300 -0.016 0.000 0.900 572 R CA 0.639 56.727 56.100 -0.020 0.000 0.618 572 R CB -1.826 28.462 30.300 -0.020 0.000 1.061 572 R HN 0.702 nan 8.270 nan 0.000 0.471 573 P HA 0.026 nan 4.420 nan 0.000 0.272 573 P C -0.610 176.670 177.300 -0.033 0.000 1.240 573 P CA 0.087 63.179 63.100 -0.014 0.000 0.791 573 P CB 0.840 32.534 31.700 -0.010 0.000 0.978 574 E N 1.487 121.666 120.200 -0.035 0.000 2.316 574 E HA 0.171 4.523 4.350 0.003 0.000 0.254 574 E C -0.361 176.208 176.600 -0.051 0.000 0.902 574 E CA -0.563 55.812 56.400 -0.042 0.000 0.801 574 E CB -0.016 29.665 29.700 -0.032 0.000 1.270 574 E HN 0.406 nan 8.360 nan 0.000 0.414 575 N N 2.306 120.963 118.700 -0.072 0.000 2.741 575 N HA -0.233 4.509 4.740 0.003 0.000 0.250 575 N C -0.850 174.609 175.510 -0.085 0.000 1.115 575 N CA 1.039 54.038 53.050 -0.084 0.000 0.724 575 N CB -1.048 37.399 38.487 -0.067 0.000 1.090 575 N HN 0.636 nan 8.380 nan 0.000 0.558 576 A N -0.086 122.678 122.820 -0.094 0.000 2.366 576 A HA 0.495 4.817 4.320 0.003 0.000 0.250 576 A C 0.652 178.162 177.584 -0.125 0.000 1.099 576 A CA 0.858 52.847 52.037 -0.080 0.000 0.794 576 A CB 0.365 19.314 19.000 -0.084 0.000 1.056 576 A HN 0.618 nan 8.150 nan 0.000 0.499 577 Q N -1.451 118.321 119.800 -0.046 0.000 2.685 577 Q HA 0.683 5.025 4.340 0.003 0.000 0.301 577 Q C -1.684 174.415 176.000 0.164 0.000 0.924 577 Q CA -0.850 54.910 55.803 -0.072 0.000 0.755 577 Q CB 1.484 30.167 28.738 -0.092 0.000 1.470 577 Q HN 1.253 nan 8.270 nan 0.000 0.434 578 Y N -2.249 118.138 120.300 0.144 0.000 2.609 578 Y HA 0.907 5.459 4.550 0.003 0.000 0.336 578 Y C -2.064 173.936 175.900 0.167 0.000 1.129 578 Y CA -0.752 57.490 58.100 0.237 0.000 1.040 578 Y CB 1.512 40.209 38.460 0.395 0.000 1.310 578 Y HN 0.986 nan 8.280 nan 0.000 0.460 579 A N 2.537 125.658 122.820 0.503 0.000 2.456 579 A HA 0.723 5.045 4.320 0.003 0.000 0.288 579 A C -2.254 175.574 177.584 0.408 0.000 1.042 579 A CA -0.612 51.612 52.037 0.312 0.000 0.738 579 A CB 0.542 19.623 19.000 0.136 0.000 1.266 579 A HN 1.548 nan 8.150 nan 0.000 0.407 580 Y N 0.220 120.653 120.300 0.221 0.000 2.519 580 Y HA 0.807 5.359 4.550 0.002 0.000 0.336 580 Y C -1.445 174.497 175.900 0.069 0.000 1.089 580 Y CA -1.537 56.572 58.100 0.013 0.000 1.025 580 Y CB 1.023 39.433 38.460 -0.085 0.000 1.318 580 Y HN 0.504 nan 8.280 nan 0.000 0.452 581 I N 4.182 124.869 120.570 0.195 0.000 2.404 581 I HA 0.502 4.674 4.170 0.003 0.000 0.293 581 I C -0.801 175.424 176.117 0.180 0.000 0.992 581 I CA -1.361 60.050 61.300 0.185 0.000 1.149 581 I CB 1.906 40.082 38.000 0.293 0.000 1.315 581 I HN 0.494 nan 8.210 nan 0.000 0.446 582 V N 7.410 127.397 119.914 0.122 0.000 2.407 582 V HA 0.304 4.426 4.120 0.003 0.000 0.278 582 V C -0.183 175.830 176.094 -0.135 0.000 1.037 582 V CA -0.463 61.852 62.300 0.025 0.000 0.900 582 V CB 1.482 33.443 31.823 0.230 0.000 0.983 582 V HN 0.402 nan 8.190 nan 0.000 0.459 583 L N 8.001 129.069 121.223 -0.259 0.000 2.387 583 L HA 0.463 4.805 4.340 0.003 0.000 0.259 583 L C -2.549 174.146 176.870 -0.291 0.000 1.050 583 L CA -1.239 53.421 54.840 -0.300 0.000 0.922 583 L CB 1.202 43.011 42.059 -0.416 0.000 1.280 583 L HN 0.431 nan 8.230 nan 0.000 0.449 584 P HA 0.361 nan 4.420 nan 0.000 0.276 584 P C 0.741 177.979 177.300 -0.102 0.000 1.230 584 P CA -0.003 62.929 63.100 -0.279 0.000 0.776 584 P CB 1.226 32.524 31.700 -0.670 0.000 0.888 585 G N 2.799 111.575 108.800 -0.040 0.000 2.165 585 G HA2 -0.165 3.797 3.960 0.003 0.000 0.226 585 G HA3 -0.165 3.797 3.960 0.003 0.000 0.226 585 G C -0.164 174.710 174.900 -0.044 0.000 1.035 585 G CA -0.694 44.409 45.100 0.005 0.000 0.744 585 G HN 0.398 nan 8.290 nan 0.000 0.501 586 I N 1.062 121.578 120.570 -0.090 0.000 2.352 586 I HA 0.249 4.421 4.170 0.003 0.000 0.290 586 I C 0.684 176.754 176.117 -0.079 0.000 1.036 586 I CA -0.498 60.734 61.300 -0.114 0.000 1.336 586 I CB 1.141 39.043 38.000 -0.164 0.000 1.407 586 I HN 0.095 nan 8.210 nan 0.000 0.497 587 N N 5.598 124.258 118.700 -0.066 0.000 2.220 587 N HA 0.126 4.868 4.740 0.003 0.000 0.195 587 N C -0.143 175.341 175.510 -0.043 0.000 1.123 587 N CA 0.212 53.235 53.050 -0.045 0.000 0.874 587 N CB 1.074 39.543 38.487 -0.030 0.000 0.995 587 N HN 0.541 nan 8.380 nan 0.000 0.498 588 K N -0.049 120.314 120.400 -0.062 0.000 2.543 588 K HA 0.275 4.597 4.320 0.003 0.000 0.255 588 K C -2.213 174.333 176.600 -0.090 0.000 0.934 588 K CA -1.554 54.701 56.287 -0.053 0.000 0.810 588 K CB 3.016 35.489 32.500 -0.045 0.000 1.315 588 K HN -0.349 nan 8.250 nan 0.000 0.433 589 P HA -0.241 nan 4.420 nan 0.000 0.217 589 P C 0.300 177.468 177.300 -0.221 0.000 1.151 589 P CA 1.437 64.477 63.100 -0.100 0.000 0.849 589 P CB 0.309 32.054 31.700 0.076 0.000 0.787 590 E N -0.119 120.009 120.200 -0.121 0.000 2.118 590 E HA -0.217 4.135 4.350 0.003 0.000 0.195 590 E C 1.881 178.378 176.600 -0.171 0.000 0.992 590 E CA 0.997 57.327 56.400 -0.117 0.000 0.804 590 E CB -0.602 29.063 29.700 -0.059 0.000 0.741 590 E HN 0.424 nan 8.360 nan 0.000 0.458 591 E N 0.303 120.399 120.200 -0.173 0.000 2.267 591 E HA -0.181 4.171 4.350 0.003 0.000 0.197 591 E C 1.999 178.440 176.600 -0.264 0.000 0.998 591 E CA 1.208 57.501 56.400 -0.179 0.000 0.830 591 E CB -0.116 29.491 29.700 -0.155 0.000 0.751 591 E HN 0.541 nan 8.360 nan 0.000 0.491 592 I N -3.311 117.011 120.570 -0.414 0.000 4.244 592 I HA 0.114 4.286 4.170 0.003 0.000 0.318 592 I C 2.033 177.754 176.117 -0.661 0.000 1.282 592 I CA -0.288 60.667 61.300 -0.575 0.000 1.276 592 I CB -0.020 37.520 38.000 -0.766 0.000 1.183 592 I HN -0.205 nan 8.210 nan 0.000 0.431 593 K N 3.052 123.051 120.400 -0.670 0.000 2.228 593 K HA -0.190 4.132 4.320 0.003 0.000 0.205 593 K C 1.515 178.034 176.600 -0.135 0.000 1.045 593 K CA 2.216 58.269 56.287 -0.389 0.000 0.931 593 K CB -0.077 32.348 32.500 -0.125 0.000 0.727 593 K HN 0.556 nan 8.250 nan 0.000 0.458 594 K N -0.401 119.917 120.400 -0.137 0.000 2.537 594 K HA 0.034 4.356 4.320 0.003 0.000 0.206 594 K C 0.970 177.529 176.600 -0.068 0.000 1.041 594 K CA -0.061 56.189 56.287 -0.061 0.000 1.090 594 K CB -0.646 nan 32.500 nan 0.000 0.833 594 K HN 0.216 nan 8.250 nan 0.000 0.493 595 Y N 1.348 121.472 120.300 -0.293 0.000 2.293 595 Y HA -0.187 4.367 4.550 0.008 0.000 0.291 595 Y C 2.540 178.214 175.900 -0.378 0.000 1.137 595 Y CA 1.974 59.843 58.100 -0.384 0.000 1.202 595 Y CB -0.696 37.421 38.460 -0.571 0.000 0.990 595 Y HN 0.486 nan 8.280 nan 0.000 0.537 596 N N 0.127 118.668 118.700 -0.266 0.000 2.184 596 N HA -0.216 4.526 4.740 0.003 0.000 0.190 596 N C 2.008 177.404 175.510 -0.190 0.000 1.011 596 N CA 1.621 54.596 53.050 -0.124 0.000 0.867 596 N CB -1.670 nan 38.487 nan 0.000 0.993 596 N HN 0.529 nan 8.380 nan 0.000 0.433 597 G N -1.436 107.256 108.800 -0.181 0.000 2.813 597 G HA2 0.186 4.148 3.960 0.003 0.000 0.209 597 G HA3 0.186 4.148 3.960 0.003 0.000 0.209 597 G C 1.228 175.989 174.900 -0.233 0.000 1.150 597 G CA 1.757 46.762 45.100 -0.158 0.000 0.785 597 G HN 0.935 nan 8.290 nan 0.000 0.535 598 T N -3.452 110.872 114.554 -0.383 0.000 3.332 598 T HA 0.645 4.997 4.350 0.003 0.000 0.304 598 T C 0.656 174.950 174.700 -0.677 0.000 0.971 598 T CA 0.383 62.238 62.100 -0.408 0.000 0.954 598 T CB 0.501 69.219 68.868 -0.250 0.000 1.175 598 T HN 0.302 nan 8.240 nan 0.000 0.519 599 A N 2.523 124.783 122.820 -0.933 0.000 2.351 599 A HA 0.704 5.026 4.320 0.003 0.000 0.257 599 A C -2.322 174.878 177.584 -0.641 0.000 1.087 599 A CA -1.317 50.078 52.037 -1.070 0.000 0.798 599 A CB -0.259 18.104 19.000 -1.062 0.000 1.033 599 A HN 0.350 nan 8.150 nan 0.000 0.488 600 P HA 0.151 nan 4.420 nan 0.000 0.268 600 P C -0.567 176.522 177.300 -0.351 0.000 1.208 600 P CA -0.067 62.652 63.100 -0.634 0.000 0.777 600 P CB 0.423 31.745 31.700 -0.630 0.000 0.875 601 K N 1.894 122.123 120.400 -0.286 0.000 2.240 601 K HA 0.301 4.623 4.320 0.003 0.000 0.271 601 K C -0.985 175.555 176.600 -0.100 0.000 1.018 601 K CA -0.697 55.506 56.287 -0.140 0.000 0.874 601 K CB 0.643 33.101 32.500 -0.069 0.000 1.098 601 K HN 0.112 nan 8.250 nan 0.000 0.458 602 V N 7.360 127.216 119.914 -0.096 0.000 2.421 602 V HA -0.015 4.107 4.120 0.003 0.000 0.271 602 V C 1.381 177.419 176.094 -0.093 0.000 1.031 602 V CA 0.174 62.397 62.300 -0.128 0.000 1.032 602 V CB 0.426 32.185 31.823 -0.107 0.000 1.009 602 V HN 0.872 nan 8.190 nan 0.000 0.477 603 L N 4.211 125.371 121.223 -0.105 0.000 2.131 603 L HA 0.314 4.656 4.340 0.003 0.000 0.206 603 L C 1.001 177.822 176.870 -0.081 0.000 1.087 603 L CA 1.185 55.983 54.840 -0.070 0.000 0.767 603 L CB -0.059 41.963 42.059 -0.062 0.000 0.917 603 L HN 0.762 nan 8.230 nan 0.000 0.441 604 A N -0.410 122.341 122.820 -0.115 0.000 2.594 604 A HA 0.598 4.920 4.320 0.003 0.000 0.296 604 A C -1.345 176.173 177.584 -0.109 0.000 1.061 604 A CA -0.425 51.554 52.037 -0.097 0.000 0.689 604 A CB 1.224 20.169 19.000 -0.092 0.000 1.280 604 A HN 0.041 nan 8.150 nan 0.000 0.406 605 N N 0.744 119.392 118.700 -0.085 0.000 2.751 605 N HA 0.443 5.185 4.740 0.003 0.000 0.234 605 N C -0.710 174.748 175.510 -0.086 0.000 1.403 605 N CA 0.581 53.577 53.050 -0.090 0.000 0.747 605 N CB 1.152 39.573 38.487 -0.110 0.000 1.326 605 N HN 1.046 nan 8.380 nan 0.000 0.532 606 T N -1.239 113.274 114.554 -0.069 0.000 2.888 606 T HA 0.365 4.717 4.350 0.003 0.000 0.288 606 T C 1.085 175.718 174.700 -0.113 0.000 1.063 606 T CA -0.686 61.365 62.100 -0.082 0.000 1.010 606 T CB 0.879 69.715 68.868 -0.053 0.000 1.214 606 T HN 0.163 nan 8.240 nan 0.000 0.533 607 N N -0.178 118.425 118.700 -0.161 0.000 2.571 607 N HA -0.051 4.691 4.740 0.003 0.000 0.189 607 N C 1.109 176.467 175.510 -0.253 0.000 1.154 607 N CA 0.595 53.471 53.050 -0.289 0.000 0.907 607 N CB -0.366 37.968 38.487 -0.254 0.000 0.977 607 N HN 0.747 nan 8.380 nan 0.000 0.449 608 Q N -0.914 118.856 119.800 -0.050 0.000 2.353 608 Q HA 0.310 4.652 4.340 0.003 0.000 0.240 608 Q C -0.535 175.586 176.000 0.203 0.000 0.868 608 Q CA -0.037 55.816 55.803 0.083 0.000 0.944 608 Q CB 1.000 29.770 28.738 0.054 0.000 1.104 608 Q HN 0.295 nan 8.270 nan 0.000 0.531 609 L N 0.438 121.742 121.223 0.135 0.000 2.611 609 L HA 0.323 4.665 4.340 0.003 0.000 0.260 609 L C -2.165 174.701 176.870 -0.006 0.000 0.924 609 L CA -0.153 54.693 54.840 0.011 0.000 0.901 609 L CB 2.194 44.192 42.059 -0.101 0.000 1.369 609 L HN -0.141 nan 8.230 nan 0.000 0.415 610 Q N 3.793 123.586 119.800 -0.011 0.000 2.292 610 Q HA 0.916 5.258 4.340 0.003 0.000 0.270 610 Q C -1.291 174.719 176.000 0.016 0.000 1.024 610 Q CA -0.624 55.206 55.803 0.046 0.000 0.768 610 Q CB 2.404 31.286 28.738 0.240 0.000 1.250 610 Q HN 0.898 nan 8.270 nan 0.000 0.447 611 A N 1.811 124.507 122.820 -0.207 0.000 2.572 611 A HA 0.856 5.178 4.320 0.003 0.000 0.295 611 A C -1.443 175.877 177.584 -0.440 0.000 1.072 611 A CA -0.512 51.364 52.037 -0.268 0.000 0.691 611 A CB 1.770 20.665 19.000 -0.174 0.000 1.291 611 A HN 0.401 nan 8.150 nan 0.000 0.404 612 V N 1.259 120.950 119.914 -0.371 0.000 2.789 612 V HA 0.514 4.636 4.120 0.003 0.000 0.311 612 V C -1.547 174.610 176.094 0.106 0.000 1.073 612 V CA -0.527 61.646 62.300 -0.212 0.000 0.921 612 V CB 1.955 33.600 31.823 -0.297 0.000 1.009 612 V HN 0.894 nan 8.190 nan 0.000 0.426 613 Y N 3.837 124.089 120.300 -0.080 0.000 2.328 613 Y HA 0.527 5.076 4.550 -0.001 0.000 0.336 613 Y C -0.398 175.425 175.900 -0.128 0.000 0.960 613 Y CA -1.144 56.931 58.100 -0.043 0.000 1.134 613 Y CB 0.950 39.377 38.460 -0.055 0.000 1.166 613 Y HN 0.755 nan 8.280 nan 0.000 0.464 614 H N 7.258 126.089 119.070 -0.397 0.000 2.685 614 H HA 0.153 4.712 4.556 0.006 0.000 0.286 614 H C 0.909 175.766 175.328 -0.784 0.000 1.102 614 H CA 0.139 55.778 56.048 -0.681 0.000 1.254 614 H CB 1.211 30.502 29.762 -0.784 0.000 1.397 614 H HN 0.874 nan 8.280 nan 0.000 0.473 615 Q N 3.360 122.635 119.800 -0.875 0.000 2.061 615 Q HA -0.153 4.189 4.340 0.003 0.000 0.204 615 Q C 1.256 177.132 176.000 -0.207 0.000 0.984 615 Q CA 1.485 56.875 55.803 -0.688 0.000 0.846 615 Q CB 0.385 28.809 28.738 -0.523 0.000 0.902 615 Q HN 0.698 nan 8.270 nan 0.000 0.421 616 Q N 0.036 119.809 119.800 -0.045 0.000 2.084 616 Q HA -0.059 4.283 4.340 0.003 0.000 0.202 616 Q C 2.267 178.292 176.000 0.043 0.000 0.978 616 Q CA 1.022 56.855 55.803 0.050 0.000 0.844 616 Q CB -0.222 28.586 28.738 0.116 0.000 0.898 616 Q HN 0.409 nan 8.270 nan 0.000 0.426 617 L N 0.394 121.624 121.223 0.012 0.000 2.492 617 L HA -0.031 4.311 4.340 0.003 0.000 0.223 617 L C 0.145 177.000 176.870 -0.026 0.000 1.132 617 L CA 0.114 54.873 54.840 -0.134 0.000 0.850 617 L CB -0.120 41.681 42.059 -0.430 0.000 0.966 617 L HN 0.218 nan 8.230 nan 0.000 0.454 618 D N 0.757 121.175 120.400 0.030 0.000 2.697 618 D HA -0.251 4.391 4.640 0.003 0.000 0.238 618 D C -0.139 176.261 176.300 0.166 0.000 1.152 618 D CA 0.766 54.855 54.000 0.148 0.000 0.666 618 D CB -0.442 40.455 40.800 0.162 0.000 1.037 618 D HN 0.235 nan 8.370 nan 0.000 0.423 619 M N 0.281 119.984 119.600 0.171 0.000 2.518 619 M HA 0.597 5.079 4.480 0.003 0.000 0.300 619 M C -1.527 174.972 176.300 0.331 0.000 1.175 619 M CA -0.869 54.527 55.300 0.160 0.000 0.890 619 M CB 2.164 34.776 32.600 0.020 0.000 1.710 619 M HN -0.141 nan 8.290 nan 0.000 0.453 620 V N 3.584 123.656 119.914 0.264 0.000 2.656 620 V HA 0.496 4.618 4.120 0.003 0.000 0.307 620 V C -1.034 175.207 176.094 0.246 0.000 1.051 620 V CA -0.538 61.928 62.300 0.278 0.000 0.893 620 V CB 2.174 34.099 31.823 0.170 0.000 0.999 620 V HN 0.880 nan 8.190 nan 0.000 0.426 621 Q N 2.553 122.528 119.800 0.291 0.000 2.337 621 Q HA 0.837 5.179 4.340 0.003 0.000 0.270 621 Q C -0.813 175.390 176.000 0.338 0.000 1.043 621 Q CA -0.543 55.443 55.803 0.304 0.000 0.794 621 Q CB 2.671 31.630 28.738 0.368 0.000 1.281 621 Q HN 0.919 nan 8.270 nan 0.000 0.446 622 A N 2.825 125.810 122.820 0.275 0.000 2.486 622 A HA 0.712 5.034 4.320 0.003 0.000 0.300 622 A C -1.349 176.292 177.584 0.095 0.000 1.048 622 A CA -0.583 51.539 52.037 0.142 0.000 0.696 622 A CB 1.278 20.235 19.000 -0.072 0.000 1.278 622 A HN 0.585 nan 8.150 nan 0.000 0.405 623 I N 2.181 122.719 120.570 -0.053 0.000 2.390 623 I HA 0.322 4.494 4.170 0.003 0.000 0.283 623 I C -1.342 174.580 176.117 -0.326 0.000 1.016 623 I CA -0.380 60.843 61.300 -0.130 0.000 1.151 623 I CB 0.301 38.155 38.000 -0.243 0.000 1.293 623 I HN 0.486 nan 8.210 nan 0.000 0.458 624 F N 5.711 125.626 119.950 -0.058 0.000 2.350 624 F HA 0.308 4.837 4.527 0.004 0.000 0.365 624 F C 0.949 176.718 175.800 -0.052 0.000 1.122 624 F CA -0.380 57.610 58.000 -0.016 0.000 1.139 624 F CB 0.569 39.613 39.000 0.072 0.000 1.220 624 F HN 0.344 nan 8.300 nan 0.000 0.499 625 Y N 0.456 120.794 120.300 0.063 0.000 2.457 625 Y HA -0.007 4.544 4.550 0.002 0.000 0.292 625 Y C 1.430 177.370 175.900 0.066 0.000 1.125 625 Y CA 0.563 58.560 58.100 -0.171 0.000 1.254 625 Y CB 0.077 38.297 38.460 -0.400 0.000 1.012 625 Y HN 0.485 nan 8.280 nan 0.000 0.555 626 T N -2.966 111.746 114.554 0.263 0.000 2.864 626 T HA 0.768 5.120 4.350 0.003 0.000 0.299 626 T C -0.310 174.520 174.700 0.216 0.000 1.166 626 T CA -0.885 61.337 62.100 0.203 0.000 1.007 626 T CB 1.468 70.422 68.868 0.144 0.000 1.219 626 T HN 0.104 nan 8.240 nan 0.000 0.506 627 A N 0.074 122.978 122.820 0.141 0.000 2.555 627 A HA 0.662 4.984 4.320 0.003 0.000 0.233 627 A C 0.923 178.587 177.584 0.134 0.000 1.060 627 A CA 0.536 52.626 52.037 0.088 0.000 0.759 627 A CB -0.799 18.230 19.000 0.048 0.000 0.995 627 A HN 1.959 nan 8.150 nan 0.000 0.506 628 G N 0.478 109.346 108.800 0.113 0.000 2.342 628 G HA2 0.534 4.496 3.960 0.003 0.000 0.297 628 G HA3 0.534 4.496 3.960 0.003 0.000 0.297 628 G C -1.154 173.873 174.900 0.212 0.000 1.313 628 G CA -0.257 44.965 45.100 0.204 0.000 0.830 628 G HN 1.160 nan 8.290 nan 0.000 0.506 629 K N -1.473 119.073 120.400 0.243 0.000 2.395 629 K HA 0.894 5.216 4.320 0.003 0.000 0.247 629 K C -1.751 174.998 176.600 0.248 0.000 0.973 629 K CA -1.037 55.382 56.287 0.220 0.000 0.828 629 K CB 2.805 35.365 32.500 0.101 0.000 1.272 629 K HN 0.807 nan 8.250 nan 0.000 0.439 630 L N 0.505 121.854 121.223 0.210 0.000 2.464 630 L HA 0.425 4.767 4.340 0.003 0.000 0.266 630 L C -1.610 175.295 176.870 0.058 0.000 0.965 630 L CA -0.079 54.835 54.840 0.124 0.000 0.833 630 L CB 2.508 44.658 42.059 0.151 0.000 1.296 630 L HN 0.807 nan 8.230 nan 0.000 0.405 631 S N 3.335 119.043 115.700 0.013 0.000 2.451 631 S HA 0.902 5.374 4.470 0.003 0.000 0.301 631 S C -1.060 173.503 174.600 -0.061 0.000 1.116 631 S CA -0.517 57.673 58.200 -0.017 0.000 1.093 631 S CB 1.631 64.823 63.200 -0.014 0.000 1.017 631 S HN 0.706 nan 8.310 nan 0.000 0.482 632 V N 2.179 122.030 119.914 -0.104 0.000 3.036 632 V HA 0.615 4.737 4.120 0.003 0.000 0.288 632 V C -0.291 175.655 176.094 -0.247 0.000 1.407 632 V CA -0.010 62.162 62.300 -0.213 0.000 0.983 632 V CB 1.246 32.874 31.823 -0.324 0.000 1.128 632 V HN 1.592 nan 8.190 nan 0.000 0.439 633 A N 4.235 126.894 122.820 -0.268 0.000 2.704 633 A HA 0.142 4.464 4.320 0.003 0.000 0.299 633 A C 2.048 179.577 177.584 -0.092 0.000 1.507 633 A CA 2.084 54.012 52.037 -0.181 0.000 0.776 633 A CB -1.802 17.037 19.000 -0.269 0.000 1.027 633 A HN 3.083 nan 8.150 nan 0.000 0.475 634 G N -2.252 106.508 108.800 -0.067 0.000 2.162 634 G HA2 -0.146 3.816 3.960 0.003 0.000 0.260 634 G HA3 -0.146 3.816 3.960 0.003 0.000 0.260 634 G C 0.326 175.204 174.900 -0.036 0.000 0.976 634 G CA 0.849 45.926 45.100 -0.039 0.000 0.655 634 G HN 2.518 nan 8.290 nan 0.000 0.533 635 I N -3.658 116.882 120.570 -0.050 0.000 3.042 635 I HA 0.903 5.075 4.170 0.003 0.000 0.310 635 I C -0.754 175.346 176.117 -0.028 0.000 1.117 635 I CA -1.482 59.797 61.300 -0.034 0.000 1.003 635 I CB 2.405 40.384 38.000 -0.034 0.000 1.228 635 I HN 0.019 nan 8.210 nan 0.000 0.443 636 E N 4.064 124.258 120.200 -0.011 0.000 2.216 636 E HA 0.534 4.886 4.350 0.003 0.000 0.260 636 E C -1.538 175.074 176.600 0.020 0.000 0.880 636 E CA -0.714 55.690 56.400 0.007 0.000 0.765 636 E CB 1.808 31.512 29.700 0.008 0.000 1.174 636 E HN 0.631 nan 8.360 nan 0.000 0.417 637 I N 3.724 124.324 120.570 0.050 0.000 2.365 637 I HA 0.303 4.475 4.170 0.003 0.000 0.291 637 I C 0.105 176.264 176.117 0.070 0.000 1.004 637 I CA -0.231 61.109 61.300 0.067 0.000 1.311 637 I CB 1.343 39.422 38.000 0.132 0.000 1.401 637 I HN 0.529 nan 8.210 nan 0.000 0.491 638 E N 4.194 124.380 120.200 -0.022 0.000 2.314 638 E HA 0.481 4.833 4.350 0.003 0.000 0.272 638 E C -1.451 175.024 176.600 -0.209 0.000 0.884 638 E CA -0.551 55.797 56.400 -0.087 0.000 0.753 638 E CB 2.404 32.083 29.700 -0.035 0.000 1.213 638 E HN 0.534 nan 8.360 nan 0.000 0.432 639 T N 1.284 115.627 114.554 -0.352 0.000 2.893 639 T HA 0.207 4.559 4.350 0.003 0.000 0.291 639 T C -0.177 174.416 174.700 -0.180 0.000 1.028 639 T CA -0.547 61.356 62.100 -0.328 0.000 0.995 639 T CB 1.109 69.637 68.868 -0.566 0.000 1.051 639 T HN 0.587 nan 8.240 nan 0.000 0.470 640 D N 2.285 122.630 120.400 -0.090 0.000 2.349 640 D HA 0.186 4.828 4.640 0.003 0.000 0.214 640 D C 0.084 176.388 176.300 0.007 0.000 1.063 640 D CA 0.025 54.007 54.000 -0.031 0.000 0.847 640 D CB 0.347 41.138 40.800 -0.015 0.000 0.933 640 D HN 0.211 nan 8.370 nan 0.000 0.513 641 K N 0.434 120.842 120.400 0.012 0.000 2.508 641 K HA 0.457 4.779 4.320 0.003 0.000 0.260 641 K C -2.978 173.674 176.600 0.088 0.000 0.949 641 K CA -2.054 54.274 56.287 0.068 0.000 0.834 641 K CB 1.817 34.390 32.500 0.122 0.000 1.365 641 K HN -0.167 nan 8.250 nan 0.000 0.437 642 P HA 0.155 nan 4.420 nan 0.000 0.269 642 P C -0.415 177.010 177.300 0.208 0.000 1.209 642 P CA -0.248 62.996 63.100 0.240 0.000 0.776 642 P CB 0.434 32.327 31.700 0.321 0.000 0.876 643 C N -0.322 119.159 119.300 0.302 0.000 3.167 643 C HA 0.850 5.312 4.460 0.003 0.000 0.348 643 C C -1.515 173.678 174.990 0.338 0.000 1.394 643 C CA -1.034 58.136 59.018 0.254 0.000 1.204 643 C CB 0.811 28.727 27.740 0.294 0.000 1.467 643 C HN 0.638 nan 8.230 nan 0.000 0.446 644 A N 0.628 123.610 122.820 0.270 0.000 2.343 644 A HA 0.907 5.229 4.320 0.003 0.000 0.308 644 A C -0.421 177.318 177.584 0.258 0.000 1.092 644 A CA 0.094 52.280 52.037 0.249 0.000 0.751 644 A CB 1.015 20.113 19.000 0.162 0.000 1.203 644 A HN 2.503 nan 8.150 nan 0.000 0.452 645 V N 0.564 120.650 119.914 0.286 0.000 2.962 645 V HA 0.922 5.044 4.120 0.003 0.000 0.313 645 V C -1.097 175.135 176.094 0.230 0.000 1.099 645 V CA -0.957 61.501 62.300 0.262 0.000 0.971 645 V CB 1.643 33.639 31.823 0.287 0.000 1.028 645 V HN 1.272 nan 8.190 nan 0.000 0.430 646 L N 4.001 125.363 121.223 0.232 0.000 2.409 646 L HA 0.782 5.124 4.340 0.003 0.000 0.272 646 L C -1.131 175.903 176.870 0.273 0.000 0.980 646 L CA -0.249 54.707 54.840 0.194 0.000 0.826 646 L CB 1.464 43.571 42.059 0.080 0.000 1.268 646 L HN 0.761 nan 8.230 nan 0.000 0.407 647 I N 4.845 125.534 120.570 0.199 0.000 2.447 647 I HA 0.439 4.611 4.170 0.003 0.000 0.287 647 I C -0.393 175.784 176.117 0.100 0.000 1.023 647 I CA -0.711 60.697 61.300 0.181 0.000 1.083 647 I CB 1.780 39.859 38.000 0.132 0.000 1.245 647 I HN 0.572 nan 8.210 nan 0.000 0.434 648 K N 4.288 124.723 120.400 0.058 0.000 2.123 648 K HA 0.464 4.786 4.320 0.003 0.000 0.248 648 K C -0.294 176.154 176.600 -0.253 0.000 0.969 648 K CA -0.840 55.302 56.287 -0.243 0.000 0.882 648 K CB 0.716 32.911 32.500 -0.508 0.000 1.080 648 K HN 0.566 nan 8.250 nan 0.000 0.441 649 H N 0.896 120.026 119.070 0.100 0.000 2.626 649 H HA -0.155 4.403 4.556 0.003 0.000 0.317 649 H C 0.993 176.368 175.328 0.077 0.000 1.140 649 H CA 0.916 57.013 56.048 0.081 0.000 1.134 649 H CB -2.070 27.733 29.762 0.068 0.000 1.486 649 H HN 0.732 nan 8.280 nan 0.000 0.417 650 I N -2.836 117.819 120.570 0.141 0.000 2.423 650 I HA -0.170 4.002 4.170 0.003 0.000 0.254 650 I C 1.407 177.572 176.117 0.079 0.000 1.151 650 I CA 1.599 62.954 61.300 0.091 0.000 1.421 650 I CB -0.103 37.926 38.000 0.048 0.000 1.079 650 I HN 0.029 nan 8.210 nan 0.000 0.431 651 N N 1.364 120.130 118.700 0.110 0.000 2.295 651 N HA 0.273 5.015 4.740 0.003 0.000 0.221 651 N C 0.399 175.956 175.510 0.077 0.000 1.129 651 N CA 0.661 53.760 53.050 0.083 0.000 0.836 651 N CB 1.184 39.728 38.487 0.096 0.000 1.040 651 N HN 0.677 nan 8.380 nan 0.000 0.494 652 G N -0.657 108.201 108.800 0.097 0.000 3.000 652 G HA2 0.370 4.332 3.960 0.003 0.000 0.170 652 G HA3 0.370 4.332 3.960 0.003 0.000 0.170 652 G C -0.910 174.035 174.900 0.076 0.000 1.160 652 G CA -0.309 44.834 45.100 0.071 0.000 0.945 652 G HN 0.103 nan 8.290 nan 0.000 0.593 653 K N 1.178 121.613 120.400 0.057 0.000 2.167 653 K HA 0.481 4.803 4.320 0.003 0.000 0.275 653 K C 0.480 177.173 176.600 0.156 0.000 1.103 653 K CA -0.036 56.286 56.287 0.058 0.000 0.963 653 K CB -0.965 31.539 32.500 0.006 0.000 1.243 653 K HN 0.537 nan 8.250 nan 0.000 0.407 654 Q N 0.351 120.223 119.800 0.120 0.000 2.364 654 Q HA 0.388 4.730 4.340 0.003 0.000 0.267 654 Q C -0.370 175.672 176.000 0.071 0.000 0.999 654 Q CA -0.459 55.415 55.803 0.118 0.000 0.886 654 Q CB 1.191 29.965 28.738 0.061 0.000 1.243 654 Q HN 0.459 nan 8.270 nan 0.000 0.415 655 V N 3.886 123.838 119.914 0.063 0.000 2.656 655 V HA 0.536 4.658 4.120 0.003 0.000 0.307 655 V C -0.373 175.656 176.094 -0.107 0.000 1.051 655 V CA -0.682 61.558 62.300 -0.101 0.000 0.893 655 V CB 1.709 33.473 31.823 -0.099 0.000 0.999 655 V HN 0.621 nan 8.190 nan 0.000 0.426 656 I N 3.086 123.477 120.570 -0.299 0.000 2.569 656 I HA 0.532 4.704 4.170 0.003 0.000 0.296 656 I C -1.010 174.958 176.117 -0.248 0.000 1.028 656 I CA -0.416 60.825 61.300 -0.097 0.000 1.082 656 I CB 2.309 40.275 38.000 -0.056 0.000 1.264 656 I HN 0.458 nan 8.210 nan 0.000 0.429 657 W N 3.926 125.220 121.300 -0.011 0.000 2.819 657 W HA 0.768 5.430 4.660 0.002 0.000 0.337 657 W C -0.548 175.977 176.519 0.010 0.000 1.077 657 W CA -0.790 56.549 57.345 -0.010 0.000 1.226 657 W CB 2.322 31.780 29.460 -0.002 0.000 1.419 657 W HN 0.475 nan 8.180 nan 0.000 0.502 658 A N 1.548 124.489 122.820 0.200 0.000 2.556 658 A HA 0.989 5.311 4.320 0.003 0.000 0.294 658 A C -1.542 176.173 177.584 0.219 0.000 1.091 658 A CA -0.552 51.590 52.037 0.175 0.000 0.704 658 A CB 1.844 20.878 19.000 0.057 0.000 1.300 658 A HN 0.802 nan 8.150 nan 0.000 0.406 659 A N 0.417 123.418 122.820 0.302 0.000 2.594 659 A HA 0.686 5.008 4.320 0.003 0.000 0.295 659 A C -1.888 175.819 177.584 0.206 0.000 1.071 659 A CA -0.305 51.898 52.037 0.277 0.000 0.685 659 A CB 1.621 20.705 19.000 0.140 0.000 1.285 659 A HN 0.889 nan 8.150 nan 0.000 0.405 660 D N 1.809 122.167 120.400 -0.070 0.000 2.472 660 D HA 0.521 5.163 4.640 0.003 0.000 0.234 660 D C -1.979 174.138 176.300 -0.305 0.000 1.088 660 D CA -1.885 51.869 54.000 -0.410 0.000 0.882 660 D CB 1.443 41.603 40.800 -1.066 0.000 1.037 660 D HN 0.067 nan 8.370 nan 0.000 0.520 661 P HA -0.075 nan 4.420 nan 0.000 0.221 661 P C 1.260 178.298 177.300 -0.436 0.000 1.145 661 P CA 0.808 63.632 63.100 -0.459 0.000 0.795 661 P CB 0.262 31.389 31.700 -0.956 0.000 0.775 662 L N -1.621 119.345 121.223 -0.430 0.000 2.492 662 L HA 0.020 4.362 4.340 0.003 0.000 0.223 662 L C 0.610 177.402 176.870 -0.130 0.000 1.132 662 L CA 0.339 55.046 54.840 -0.222 0.000 0.850 662 L CB -0.794 41.186 42.059 -0.131 0.000 0.966 662 L HN -0.018 nan 8.230 nan 0.000 0.454 663 Q N 0.575 120.281 119.800 -0.157 0.000 2.439 663 Q HA -0.305 4.037 4.340 0.003 0.000 0.325 663 Q C 0.940 176.895 176.000 -0.075 0.000 1.372 663 Q CA 0.973 56.725 55.803 -0.084 0.000 0.909 663 Q CB -0.974 27.784 28.738 0.033 0.000 1.167 663 Q HN 0.538 nan 8.270 nan 0.000 0.418 664 K N -0.610 119.710 120.400 -0.132 0.000 2.585 664 K HA 0.083 4.405 4.320 0.003 0.000 0.198 664 K C -0.031 176.519 176.600 -0.083 0.000 1.403 664 K CA -0.238 56.001 56.287 -0.081 0.000 1.021 664 K CB 0.740 33.204 32.500 -0.060 0.000 1.558 664 K HN 0.071 nan 8.250 nan 0.000 0.524 665 E N 1.790 121.888 120.200 -0.169 0.000 2.390 665 E HA 0.039 4.391 4.350 0.003 0.000 0.261 665 E C 0.421 177.047 176.600 0.043 0.000 1.076 665 E CA 0.131 56.479 56.400 -0.086 0.000 0.905 665 E CB 1.236 30.852 29.700 -0.140 0.000 0.984 665 E HN 0.135 nan 8.360 nan 0.000 0.427 666 K N 0.242 120.728 120.400 0.144 0.000 2.214 666 K HA 0.073 4.395 4.320 0.003 0.000 0.201 666 K C 1.103 177.865 176.600 0.270 0.000 1.049 666 K CA 0.791 57.179 56.287 0.169 0.000 0.978 666 K CB 0.181 32.734 32.500 0.088 0.000 0.842 666 K HN 0.735 nan 8.250 nan 0.000 0.474 667 T N -2.356 112.365 114.554 0.278 0.000 2.731 667 T HA 0.791 5.143 4.350 0.003 0.000 0.300 667 T C -1.358 173.467 174.700 0.208 0.000 1.283 667 T CA -0.671 61.518 62.100 0.149 0.000 1.005 667 T CB 2.172 71.047 68.868 0.012 0.000 1.420 667 T HN 0.138 nan 8.240 nan 0.000 0.503 668 A N -0.008 122.817 122.820 0.008 0.000 2.586 668 A HA 0.724 5.046 4.320 0.003 0.000 0.291 668 A C -1.703 175.836 177.584 -0.074 0.000 1.062 668 A CA -0.758 51.305 52.037 0.043 0.000 0.666 668 A CB 1.360 20.475 19.000 0.193 0.000 1.281 668 A HN 1.242 nan 8.150 nan 0.000 0.421 669 V N 0.964 120.845 119.914 -0.056 0.000 2.540 669 V HA 0.600 4.722 4.120 0.003 0.000 0.302 669 V C -0.940 175.099 176.094 -0.091 0.000 1.035 669 V CA -0.473 61.780 62.300 -0.078 0.000 0.873 669 V CB 1.405 33.194 31.823 -0.056 0.000 0.992 669 V HN 0.804 nan 8.190 nan 0.000 0.428 670 L N 4.261 125.423 121.223 -0.101 0.000 2.307 670 L HA 0.712 5.054 4.340 0.003 0.000 0.284 670 L C 0.079 176.903 176.870 -0.077 0.000 1.023 670 L CA 0.623 55.401 54.840 -0.103 0.000 0.810 670 L CB 1.964 43.964 42.059 -0.099 0.000 1.231 670 L HN 0.711 nan 8.230 nan 0.000 0.423 671 S N 5.414 121.073 115.700 -0.068 0.000 2.513 671 S HA 0.694 5.166 4.470 0.003 0.000 0.299 671 S C -0.816 173.766 174.600 -0.030 0.000 1.087 671 S CA -0.498 57.675 58.200 -0.045 0.000 1.012 671 S CB 1.575 64.751 63.200 -0.039 0.000 1.044 671 S HN 0.357 nan 8.310 nan 0.000 0.485 672 I N 3.046 123.602 120.570 -0.023 0.000 2.437 672 I HA 0.361 4.533 4.170 0.003 0.000 0.279 672 I C 0.112 176.221 176.117 -0.013 0.000 1.028 672 I CA -0.323 60.970 61.300 -0.013 0.000 1.142 672 I CB 1.086 39.078 38.000 -0.012 0.000 1.266 672 I HN 0.558 nan 8.210 nan 0.000 0.461 673 R N 4.809 125.303 120.500 -0.009 0.000 2.265 673 R HA 0.213 4.555 4.340 0.003 0.000 0.319 673 R C -0.326 175.968 176.300 -0.010 0.000 1.006 673 R CA -0.488 55.606 56.100 -0.009 0.000 0.880 673 R CB 1.137 31.432 30.300 -0.007 0.000 1.077 673 R HN 0.542 nan 8.270 nan 0.000 0.454 674 D N 5.266 125.660 120.400 -0.010 0.000 2.339 674 D HA -0.010 4.632 4.640 0.003 0.000 0.256 674 D C 1.136 177.430 176.300 -0.010 0.000 1.214 674 D CA -0.283 53.710 54.000 -0.011 0.000 0.877 674 D CB 1.091 41.886 40.800 -0.009 0.000 1.111 674 D HN 0.474 nan 8.370 nan 0.000 0.478 675 L N 4.813 126.029 121.223 -0.011 0.000 2.129 675 L HA -0.185 4.157 4.340 0.003 0.000 0.212 675 L C 2.426 179.291 176.870 -0.007 0.000 1.087 675 L CA 1.396 56.231 54.840 -0.009 0.000 0.757 675 L CB -0.668 41.383 42.059 -0.012 0.000 0.896 675 L HN 0.441 nan 8.230 nan 0.000 0.434 676 K N -0.561 119.834 120.400 -0.007 0.000 2.005 676 K HA -0.058 4.264 4.320 0.003 0.000 0.206 676 K C 2.117 178.714 176.600 -0.005 0.000 1.044 676 K CA 1.845 58.128 56.287 -0.006 0.000 0.942 676 K CB -0.240 32.257 32.500 -0.005 0.000 0.727 676 K HN 0.481 nan 8.250 nan 0.000 0.439 677 T N -3.049 111.502 114.554 -0.006 0.000 3.043 677 T HA 0.102 4.454 4.350 0.003 0.000 0.263 677 T C 1.420 176.116 174.700 -0.006 0.000 1.094 677 T CA 1.217 63.314 62.100 -0.006 0.000 1.127 677 T CB 0.026 68.891 68.868 -0.006 0.000 0.905 677 T HN 0.395 nan 8.240 nan 0.000 0.490 678 G N 1.450 110.246 108.800 -0.007 0.000 2.184 678 G HA2 -0.243 3.719 3.960 0.003 0.000 0.264 678 G HA3 -0.243 3.719 3.960 0.003 0.000 0.264 678 G C 0.113 175.008 174.900 -0.008 0.000 0.975 678 G CA 0.108 45.204 45.100 -0.007 0.000 0.642 678 G HN 0.595 nan 8.290 nan 0.000 0.536 679 K N 1.471 121.866 120.400 -0.008 0.000 2.412 679 K HA 0.439 4.761 4.320 0.003 0.000 0.281 679 K C 0.065 176.659 176.600 -0.011 0.000 1.027 679 K CA 0.474 56.755 56.287 -0.010 0.000 0.989 679 K CB 0.859 33.353 32.500 -0.010 0.000 0.935 679 K HN 0.217 nan 8.250 nan 0.000 0.475 680 T N 3.544 118.090 114.554 -0.013 0.000 2.812 680 T HA 0.319 4.671 4.350 0.003 0.000 0.282 680 T C -0.233 174.455 174.700 -0.019 0.000 0.990 680 T CA -0.894 61.197 62.100 -0.016 0.000 0.960 680 T CB 0.973 69.832 68.868 -0.016 0.000 0.948 680 T HN 0.305 nan 8.240 nan 0.000 0.438 681 N N 2.692 121.379 118.700 -0.022 0.000 2.443 681 N HA 0.490 5.232 4.740 0.003 0.000 0.295 681 N C -0.370 175.120 175.510 -0.033 0.000 1.076 681 N CA -0.626 52.408 53.050 -0.027 0.000 0.919 681 N CB 1.846 40.317 38.487 -0.026 0.000 1.176 681 N HN 0.442 nan 8.380 nan 0.000 0.487 682 R N 0.523 121.000 120.500 -0.039 0.000 2.621 682 R HA 0.645 4.987 4.340 0.003 0.000 0.292 682 R C -1.037 175.228 176.300 -0.060 0.000 0.969 682 R CA -0.887 55.184 56.100 -0.048 0.000 0.887 682 R CB 1.992 32.265 30.300 -0.044 0.000 1.180 682 R HN 0.196 nan 8.270 nan 0.000 0.450 683 V N 2.623 122.494 119.914 -0.073 0.000 2.531 683 V HA 0.266 4.388 4.120 0.003 0.000 0.301 683 V C -0.402 175.625 176.094 -0.111 0.000 1.034 683 V CA -0.977 61.268 62.300 -0.092 0.000 0.865 683 V CB 1.880 33.644 31.823 -0.100 0.000 0.995 683 V HN 0.568 nan 8.190 nan 0.000 0.424 684 K N 4.568 124.897 120.400 -0.117 0.000 2.276 684 K HA 0.531 4.853 4.320 0.003 0.000 0.283 684 K C -0.883 175.599 176.600 -0.197 0.000 1.044 684 K CA 0.084 56.290 56.287 -0.136 0.000 0.944 684 K CB 0.629 33.062 32.500 -0.112 0.000 1.012 684 K HN 0.622 nan 8.250 nan 0.000 0.472 685 I N 4.302 124.711 120.570 -0.268 0.000 2.354 685 I HA 0.190 4.362 4.170 0.003 0.000 0.286 685 I C -0.624 175.189 176.117 -0.507 0.000 1.007 685 I CA -0.596 60.433 61.300 -0.451 0.000 1.167 685 I CB 1.466 39.066 38.000 -0.667 0.000 1.320 685 I HN 0.521 nan 8.210 nan 0.000 0.458 686 D N 7.767 127.935 120.400 -0.387 0.000 2.443 686 D HA 0.259 4.901 4.640 0.003 0.000 0.221 686 D C -0.359 175.795 176.300 -0.243 0.000 1.097 686 D CA -0.184 53.667 54.000 -0.248 0.000 0.865 686 D CB 0.918 41.629 40.800 -0.148 0.000 1.034 686 D HN 0.170 nan 8.370 nan 0.000 0.511 687 F N 2.359 122.275 119.950 -0.057 0.000 2.484 687 F HA 0.181 4.710 4.527 0.003 0.000 0.360 687 F C -1.525 174.229 175.800 -0.077 0.000 1.101 687 F CA -1.668 56.293 58.000 -0.065 0.000 1.251 687 F CB 0.240 39.211 39.000 -0.050 0.000 1.132 687 F HN 0.059 nan 8.300 nan 0.000 0.570 688 P HA 0.025 nan 4.420 nan 0.000 0.268 688 P C -0.798 176.521 177.300 0.032 0.000 1.205 688 P CA -0.041 63.052 63.100 -0.011 0.000 0.771 688 P CB 0.573 32.209 31.700 -0.108 0.000 0.858 689 Q N 1.876 121.699 119.800 0.038 0.000 2.333 689 Q HA 0.337 4.679 4.340 0.003 0.000 0.266 689 Q C 0.428 176.452 176.000 0.040 0.000 1.053 689 Q CA -0.662 55.168 55.803 0.045 0.000 0.890 689 Q CB 1.120 29.883 28.738 0.041 0.000 1.337 689 Q HN 0.340 nan 8.270 nan 0.000 0.474 690 Q N 0.112 119.928 119.800 0.025 0.000 1.786 690 Q HA -0.309 4.033 4.340 0.003 0.000 0.369 690 Q C 1.135 176.972 176.000 -0.272 0.000 0.796 690 Q CA 2.343 58.124 55.803 -0.037 0.000 0.877 690 Q CB -1.350 27.344 28.738 -0.073 0.000 3.276 690 Q HN 0.735 nan 8.270 nan 0.000 0.718 691 E N -0.240 119.523 120.200 -0.728 0.000 2.209 691 E HA -0.068 4.284 4.350 0.003 0.000 0.196 691 E C 1.331 177.470 176.600 -0.768 0.000 0.993 691 E CA 1.608 57.191 56.400 -1.362 0.000 0.819 691 E CB -0.209 28.296 29.700 -1.992 0.000 0.745 691 E HN 0.435 nan 8.360 nan 0.000 0.477 692 F N 0.288 120.076 119.950 -0.271 0.000 2.693 692 F HA 0.357 4.886 4.527 0.003 0.000 0.303 692 F C 0.755 176.276 175.800 -0.465 0.000 1.097 692 F CA -0.449 57.350 58.000 -0.334 0.000 1.330 692 F CB 0.032 38.827 39.000 -0.342 0.000 1.067 692 F HN -0.147 nan 8.300 nan 0.000 0.565 693 A N 0.638 123.420 122.820 -0.064 0.000 2.545 693 A HA 0.407 4.729 4.320 0.003 0.000 0.253 693 A C 1.469 179.012 177.584 -0.067 0.000 1.074 693 A CA 0.947 52.972 52.037 -0.020 0.000 0.760 693 A CB -0.779 18.286 19.000 0.107 0.000 1.005 693 A HN 0.902 nan 8.150 nan 0.000 0.506 694 G N 1.016 109.730 108.800 -0.143 0.000 2.218 694 G HA2 0.176 4.138 3.960 0.003 0.000 0.216 694 G HA3 0.176 4.138 3.960 0.003 0.000 0.216 694 G C 0.622 175.397 174.900 -0.208 0.000 0.994 694 G CA 0.299 45.354 45.100 -0.074 0.000 0.637 694 G HN 2.102 nan 8.290 nan 0.000 0.505 695 A N 0.264 122.665 122.820 -0.699 0.000 2.346 695 A HA 0.694 5.016 4.320 0.003 0.000 0.252 695 A C 0.740 178.177 177.584 -0.246 0.000 1.089 695 A CA 1.170 52.717 52.037 -0.817 0.000 0.797 695 A CB 0.299 18.455 19.000 -1.407 0.000 1.047 695 A HN 0.730 nan 8.150 nan 0.000 0.494 696 T N 0.373 114.867 114.554 -0.100 0.000 2.909 696 T HA 0.445 4.797 4.350 0.003 0.000 0.289 696 T C -0.353 174.370 174.700 0.038 0.000 1.005 696 T CA -0.138 61.990 62.100 0.047 0.000 1.084 696 T CB 1.149 70.096 68.868 0.131 0.000 0.975 696 T HN 0.920 nan 8.240 nan 0.000 0.509 697 V N 2.889 122.837 119.914 0.058 0.000 2.588 697 V HA 0.465 4.587 4.120 0.003 0.000 0.304 697 V C -0.375 175.696 176.094 -0.039 0.000 1.042 697 V CA -0.914 61.375 62.300 -0.018 0.000 0.877 697 V CB 1.668 33.432 31.823 -0.099 0.000 0.996 697 V HN 0.959 nan 8.190 nan 0.000 0.425 698 E N 6.183 126.311 120.200 -0.120 0.000 2.259 698 E HA 0.414 4.766 4.350 0.003 0.000 0.281 698 E C -0.575 175.798 176.600 -0.378 0.000 1.037 698 E CA -0.491 55.628 56.400 -0.468 0.000 0.854 698 E CB 0.958 30.353 29.700 -0.509 0.000 1.051 698 E HN 0.744 nan 8.360 nan 0.000 0.409 699 L N 0.000 120.975 121.223 -0.413 0.000 2.949 699 L HA 0.000 4.342 4.340 0.003 0.000 0.249 699 L CA 0.000 54.666 54.840 -0.291 0.000 0.813 699 L CB 0.000 41.913 42.059 -0.244 0.000 0.961 699 L HN 0.000 nan 8.230 nan 0.000 0.502