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 1gz5_1_D DATA FIRST_RESID 1 DATA SEQUENCE SRLVVVSNRI APPDEHAASA GGLAVGILGA LKAAGGLWFG WSGETGNEDQ DATA SEQUENCE PLKKVKKGNI TWASFNLSEQ DLDEYYNQFS NAVLWPAFHY RLDLVQFQRP DATA SEQUENCE AWDGYLRVNA LLADKLLPLL QDDDIIWIHD YHLLPFAHEL RKRGVNNRIG DATA SEQUENCE FFLHIPFPTP EIFNALPTYD TLLEQLCDYD LLGFQTENDR LAFLDCLSNL DATA SEQUENCE TRVTTRSXKS HTAWGKAFRT EVYPIGIEPK EIAKQAAGPL PPKLAQLKAE DATA SEQUENCE LKNVQNIFSV ERLDYSKGLP ERFLAYEALL EKYPQHHGKI RYTQIAPTSR DATA SEQUENCE GDVQAYQDIR HQLENEAGRI NGKYGQLGWT PLYYLNQHFD RKLLXKIFRY DATA SEQUENCE SDVGLVTPLR DGXNLVAKEY VAAQDPANPG VLVLSQFAGA ANELTSALIV DATA SEQUENCE NPYDRDEVAA ALDRALTXSL AERISRHAEX LDVIVKNDIN HWQECFISDL DATA SEQUENCE KQIVPR 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.611 174.600 0.018 0.000 1.055 1 S CA 0.000 58.206 58.200 0.011 0.000 1.107 1 S CB 0.000 63.207 63.200 0.011 0.000 0.593 2 R N 1.853 122.367 120.500 0.023 0.000 2.537 2 R HA 0.151 4.492 4.340 0.002 0.000 0.281 2 R C -0.748 175.578 176.300 0.044 0.000 0.988 2 R CA 0.092 56.210 56.100 0.030 0.000 1.077 2 R CB 0.058 30.376 30.300 0.031 0.000 0.932 2 R HN 0.373 nan 8.270 nan 0.000 0.409 3 L N 5.672 126.924 121.223 0.048 0.000 2.305 3 L HA 0.276 4.617 4.340 0.002 0.000 0.281 3 L C -1.091 175.831 176.870 0.085 0.000 1.085 3 L CA -0.075 54.812 54.840 0.078 0.000 0.813 3 L CB 1.704 43.812 42.059 0.082 0.000 1.157 3 L HN 0.336 nan 8.230 nan 0.000 0.436 4 V N 6.366 126.356 119.914 0.128 0.000 2.350 4 V HA 0.427 4.548 4.120 0.002 0.000 0.285 4 V C -0.262 175.949 176.094 0.195 0.000 1.014 4 V CA -0.647 61.739 62.300 0.144 0.000 0.831 4 V CB 1.555 33.462 31.823 0.140 0.000 1.000 4 V HN 0.552 nan 8.190 nan 0.000 0.433 5 V N 5.883 125.877 119.914 0.134 0.000 2.427 5 V HA 0.610 4.731 4.120 0.002 0.000 0.286 5 V C -0.147 176.096 176.094 0.248 0.000 1.034 5 V CA -0.525 61.823 62.300 0.079 0.000 0.893 5 V CB 1.963 33.572 31.823 -0.356 0.000 0.982 5 V HN 0.674 nan 8.190 nan 0.000 0.452 6 V N 4.430 124.527 119.914 0.306 0.000 2.588 6 V HA 0.996 5.117 4.120 0.002 0.000 0.304 6 V C -0.417 175.868 176.094 0.319 0.000 1.042 6 V CA 0.128 62.662 62.300 0.389 0.000 0.877 6 V CB 2.084 34.144 31.823 0.395 0.000 0.996 6 V HN 1.096 nan 8.190 nan 0.000 0.425 7 S N 3.917 119.816 115.700 0.333 0.000 2.596 7 S HA 0.424 4.895 4.470 0.002 0.000 0.270 7 S C 0.420 175.095 174.600 0.125 0.000 1.155 7 S CA -0.269 58.069 58.200 0.231 0.000 0.827 7 S CB 1.593 64.938 63.200 0.242 0.000 1.130 7 S HN 0.880 nan 8.310 nan 0.000 0.467 8 N N 0.537 119.236 118.700 -0.002 0.000 2.062 8 N HA -0.080 4.661 4.740 0.002 0.000 0.191 8 N C 0.500 175.966 175.510 -0.073 0.000 1.042 8 N CA 0.913 53.921 53.050 -0.069 0.000 0.845 8 N CB -0.088 38.110 38.487 -0.482 0.000 1.024 8 N HN 0.558 nan 8.380 nan 0.000 0.424 9 R N 1.241 121.668 120.500 -0.122 0.000 2.438 9 R HA 0.294 4.635 4.340 0.002 0.000 0.287 9 R C -0.163 176.034 176.300 -0.171 0.000 1.077 9 R CA -0.140 55.880 56.100 -0.133 0.000 1.034 9 R CB 0.238 30.494 30.300 -0.074 0.000 0.993 9 R HN 0.345 nan 8.270 nan 0.000 0.459 10 I N -0.040 120.291 120.570 -0.399 0.000 2.846 10 I HA 0.756 4.927 4.170 0.002 0.000 0.307 10 I C -0.775 175.026 176.117 -0.528 0.000 1.053 10 I CA -1.425 59.418 61.300 -0.762 0.000 1.050 10 I CB 2.510 39.836 38.000 -1.123 0.000 1.239 10 I HN 0.641 nan 8.210 nan 0.000 0.439 11 A N 5.117 127.623 122.820 -0.522 0.000 2.269 11 A HA 0.666 4.987 4.320 0.002 0.000 0.302 11 A C -2.434 174.987 177.584 -0.271 0.000 1.266 11 A CA -1.618 50.328 52.037 -0.153 0.000 0.894 11 A CB -0.376 18.752 19.000 0.213 0.000 1.147 11 A HN 0.615 nan 8.150 nan 0.000 0.537 12 P HA 0.161 nan 4.420 nan 0.000 0.272 12 P C -2.182 174.727 177.300 -0.653 0.000 1.223 12 P CA -1.186 61.558 63.100 -0.594 0.000 0.784 12 P CB 0.407 31.830 31.700 -0.462 0.000 0.923 13 P HA -0.136 nan 4.420 nan 0.000 0.216 13 P C 0.244 177.283 177.300 -0.436 0.000 1.150 13 P CA 1.405 63.963 63.100 -0.903 0.000 0.837 13 P CB -0.210 30.849 31.700 -1.067 0.000 0.786 14 D N 0.010 120.176 120.400 -0.390 0.000 2.342 14 D HA -0.045 4.596 4.640 0.002 0.000 0.260 14 D C 1.167 177.325 176.300 -0.236 0.000 1.278 14 D CA 0.064 53.899 54.000 -0.275 0.000 0.910 14 D CB 0.176 40.801 40.800 -0.291 0.000 1.079 14 D HN 0.037 nan 8.370 nan 0.000 0.496 15 E N 2.274 122.391 120.200 -0.139 0.000 2.170 15 E HA -0.171 4.180 4.350 0.002 0.000 0.191 15 E C 1.278 177.878 176.600 -0.000 0.000 0.981 15 E CA 0.338 56.699 56.400 -0.065 0.000 0.830 15 E CB 0.027 29.725 29.700 -0.004 0.000 0.775 15 E HN 0.754 nan 8.360 nan 0.000 0.470 16 H N -1.177 117.850 119.070 -0.073 0.000 2.543 16 H HA 0.248 4.805 4.556 0.002 0.000 0.269 16 H C 0.819 176.089 175.328 -0.097 0.000 1.005 16 H CA 0.499 56.513 56.048 -0.056 0.000 1.146 16 H CB 0.294 30.033 29.762 -0.038 0.000 1.353 16 H HN 0.006 nan 8.280 nan 0.000 0.595 17 A N 0.779 123.467 122.820 -0.221 0.000 2.337 17 A HA 0.486 4.807 4.320 0.002 0.000 0.227 17 A C 1.186 178.641 177.584 -0.215 0.000 1.259 17 A CA 0.202 52.084 52.037 -0.257 0.000 0.870 17 A CB -0.450 18.365 19.000 -0.308 0.000 0.927 17 A HN 0.539 nan 8.150 nan 0.000 0.497 18 A N -0.250 122.490 122.820 -0.132 0.000 2.407 18 A HA 0.531 4.852 4.320 0.002 0.000 0.248 18 A C 0.538 178.010 177.584 -0.188 0.000 1.082 18 A CA 0.131 52.098 52.037 -0.116 0.000 0.785 18 A CB 0.234 19.230 19.000 -0.006 0.000 1.020 18 A HN 0.315 nan 8.150 nan 0.000 0.489 19 S N 0.001 115.601 115.700 -0.167 0.000 2.549 19 S HA 0.624 5.095 4.470 0.002 0.000 0.297 19 S C 0.402 174.988 174.600 -0.023 0.000 1.115 19 S CA -0.045 58.041 58.200 -0.189 0.000 1.059 19 S CB 1.007 64.104 63.200 -0.171 0.000 1.046 19 S HN 1.502 nan 8.310 nan 0.000 0.506 20 A N 2.040 124.903 122.820 0.072 0.000 2.520 20 A HA 0.573 4.894 4.320 0.002 0.000 0.235 20 A C 0.764 178.403 177.584 0.091 0.000 1.065 20 A CA 0.526 52.662 52.037 0.165 0.000 0.764 20 A CB -0.697 18.430 19.000 0.212 0.000 1.002 20 A HN 1.674 nan 8.150 nan 0.000 0.502 21 G N -0.199 108.667 108.800 0.110 0.000 2.462 21 G HA2 0.461 4.422 3.960 0.002 0.000 0.424 21 G HA3 0.461 4.422 3.960 0.002 0.000 0.424 21 G C 0.369 175.337 174.900 0.112 0.000 1.573 21 G CA 0.002 45.165 45.100 0.105 0.000 0.913 21 G HN 1.528 nan 8.290 nan 0.000 0.672 22 G N 0.381 109.264 108.800 0.139 0.000 2.494 22 G HA2 0.220 4.181 3.960 0.002 0.000 0.216 22 G HA3 0.220 4.181 3.960 0.002 0.000 0.216 22 G C 1.844 176.795 174.900 0.086 0.000 1.140 22 G CA 1.246 46.420 45.100 0.124 0.000 0.801 22 G HN 1.231 nan 8.290 nan 0.000 0.536 23 L N 0.926 122.193 121.223 0.073 0.000 1.971 23 L HA -0.043 4.298 4.340 0.002 0.000 0.215 23 L C 3.071 179.914 176.870 -0.045 0.000 1.072 23 L CA 2.238 57.029 54.840 -0.081 0.000 0.758 23 L CB -0.294 41.608 42.059 -0.261 0.000 0.889 23 L HN 0.223 nan 8.230 nan 0.000 0.433 24 A N -0.865 121.989 122.820 0.056 0.000 1.933 24 A HA -0.141 4.180 4.320 0.002 0.000 0.218 24 A C 2.215 179.899 177.584 0.166 0.000 1.175 24 A CA 1.836 53.995 52.037 0.202 0.000 0.628 24 A CB -1.055 18.034 19.000 0.148 0.000 0.814 24 A HN 0.373 nan 8.150 nan 0.000 0.444 25 V N -0.033 119.933 119.914 0.086 0.000 2.287 25 V HA -0.211 3.910 4.120 0.002 0.000 0.248 25 V C 2.823 178.909 176.094 -0.014 0.000 1.053 25 V CA 2.045 64.381 62.300 0.060 0.000 1.027 25 V CB -1.516 30.344 31.823 0.061 0.000 0.646 25 V HN 0.613 nan 8.190 nan 0.000 0.447 26 G N 0.023 108.768 108.800 -0.093 0.000 2.511 26 G HA2 -0.256 3.705 3.960 0.002 0.000 0.216 26 G HA3 -0.256 3.705 3.960 0.002 0.000 0.216 26 G C 1.562 176.319 174.900 -0.239 0.000 1.218 26 G CA 1.291 46.239 45.100 -0.254 0.000 0.788 26 G HN 0.481 nan 8.290 nan 0.000 0.560 27 I N 0.203 120.589 120.570 -0.306 0.000 2.264 27 I HA -0.145 4.026 4.170 0.002 0.000 0.248 27 I C 2.613 178.412 176.117 -0.531 0.000 1.111 27 I CA 0.576 61.531 61.300 -0.576 0.000 1.382 27 I CB -0.239 37.138 38.000 -1.038 0.000 1.060 27 I HN 0.165 nan 8.210 nan 0.000 0.418 28 L N 1.249 122.319 121.223 -0.254 0.000 2.017 28 L HA -0.090 4.251 4.340 0.002 0.000 0.208 28 L C 2.418 179.272 176.870 -0.026 0.000 1.073 28 L CA 2.276 57.105 54.840 -0.020 0.000 0.745 28 L CB -1.315 40.891 42.059 0.245 0.000 0.894 28 L HN 0.201 nan 8.230 nan 0.000 0.432 29 G N -0.886 107.904 108.800 -0.016 0.000 2.529 29 G HA2 -0.364 3.597 3.960 0.002 0.000 0.219 29 G HA3 -0.364 3.597 3.960 0.002 0.000 0.219 29 G C 1.606 176.518 174.900 0.020 0.000 1.177 29 G CA 1.292 46.398 45.100 0.010 0.000 0.773 29 G HN 0.682 nan 8.290 nan 0.000 0.573 30 A N 0.441 123.269 122.820 0.012 0.000 1.865 30 A HA 0.050 4.371 4.320 0.002 0.000 0.217 30 A C 2.501 180.072 177.584 -0.021 0.000 1.191 30 A CA 1.557 53.635 52.037 0.068 0.000 0.623 30 A CB -0.578 18.495 19.000 0.121 0.000 0.826 30 A HN 0.359 nan 8.150 nan 0.000 0.444 31 L N -0.842 120.291 121.223 -0.149 0.000 2.083 31 L HA -0.203 4.138 4.340 0.002 0.000 0.209 31 L C 2.619 179.447 176.870 -0.070 0.000 1.083 31 L CA 1.665 56.408 54.840 -0.163 0.000 0.752 31 L CB -0.302 41.568 42.059 -0.314 0.000 0.899 31 L HN 0.378 nan 8.230 nan 0.000 0.433 32 K N -0.535 119.850 120.400 -0.026 0.000 2.147 32 K HA -0.168 4.153 4.320 0.002 0.000 0.205 32 K C 2.099 178.715 176.600 0.027 0.000 1.049 32 K CA 1.299 57.599 56.287 0.021 0.000 0.936 32 K CB -0.105 32.426 32.500 0.052 0.000 0.722 32 K HN 0.335 nan 8.250 nan 0.000 0.446 33 A N 0.752 123.591 122.820 0.032 0.000 1.898 33 A HA 0.031 4.352 4.320 0.002 0.000 0.214 33 A C 2.181 179.785 177.584 0.034 0.000 1.183 33 A CA 1.458 53.522 52.037 0.044 0.000 0.622 33 A CB -0.341 18.700 19.000 0.068 0.000 0.824 33 A HN 0.323 nan 8.150 nan 0.000 0.444 34 A N -1.128 121.706 122.820 0.024 0.000 1.844 34 A HA 0.472 4.793 4.320 0.002 0.000 0.212 34 A C 1.506 179.094 177.584 0.007 0.000 1.221 34 A CA 1.538 53.587 52.037 0.020 0.000 0.607 34 A CB -0.969 18.048 19.000 0.029 0.000 0.878 34 A HN 2.153 nan 8.150 nan 0.000 0.451 35 G N -3.534 105.258 108.800 -0.014 0.000 2.587 35 G HA2 0.535 4.496 3.960 0.002 0.000 0.686 35 G HA3 0.535 4.496 3.960 0.002 0.000 0.686 35 G C 0.129 175.007 174.900 -0.037 0.000 1.236 35 G CA -0.162 44.925 45.100 -0.022 0.000 0.820 35 G HN 2.355 nan 8.290 nan 0.000 0.645 36 G N -0.798 107.971 108.800 -0.052 0.000 2.362 36 G HA2 0.532 4.493 3.960 0.002 0.000 0.288 36 G HA3 0.532 4.493 3.960 0.002 0.000 0.288 36 G C -1.514 173.347 174.900 -0.065 0.000 1.305 36 G CA -0.164 44.910 45.100 -0.045 0.000 0.910 36 G HN 1.740 nan 8.290 nan 0.000 0.518 37 L N 0.196 121.411 121.223 -0.015 0.000 2.313 37 L HA 0.675 5.016 4.340 0.002 0.000 0.283 37 L C -1.241 175.689 176.870 0.100 0.000 1.013 37 L CA -0.799 54.062 54.840 0.035 0.000 0.816 37 L CB 1.411 43.524 42.059 0.089 0.000 1.236 37 L HN 0.711 nan 8.230 nan 0.000 0.419 38 W N 6.956 128.153 121.300 -0.172 0.000 2.318 38 W HA 0.318 4.979 4.660 0.002 0.000 0.315 38 W C -1.517 175.034 176.519 0.054 0.000 1.033 38 W CA -1.533 55.725 57.345 -0.146 0.000 1.275 38 W CB 1.159 30.356 29.460 -0.438 0.000 1.250 38 W HN 0.348 nan 8.180 nan 0.000 0.421 39 F N 5.588 125.759 119.950 0.368 0.000 2.427 39 F HA 0.781 5.309 4.527 0.002 0.000 0.346 39 F C 0.257 176.195 175.800 0.231 0.000 1.120 39 F CA 0.123 58.271 58.000 0.247 0.000 1.033 39 F CB 1.189 40.343 39.000 0.257 0.000 1.126 39 F HN 0.438 nan 8.300 nan 0.000 0.462 40 G N 3.849 112.347 108.800 -0.504 0.000 2.430 40 G HA2 0.168 4.129 3.960 0.002 0.000 0.300 40 G HA3 0.168 4.129 3.960 0.002 0.000 0.300 40 G C -2.450 171.749 174.900 -1.168 0.000 1.330 40 G CA -1.011 43.785 45.100 -0.507 0.000 0.813 40 G HN 0.747 nan 8.290 nan 0.000 0.487 41 W N 1.614 122.141 121.300 -1.290 0.000 2.216 41 W HA 0.439 5.100 4.660 0.002 0.000 0.326 41 W C 1.658 177.647 176.519 -0.883 0.000 1.319 41 W CA 0.080 56.553 57.345 -1.454 0.000 1.213 41 W CB 1.308 30.348 29.460 -0.699 0.000 1.171 41 W HN 0.738 nan 8.180 nan 0.000 0.557 42 S N 3.383 118.478 115.700 -1.008 0.000 2.474 42 S HA 0.068 4.539 4.470 0.002 0.000 0.235 42 S C 1.633 175.531 174.600 -1.171 0.000 0.997 42 S CA 0.899 58.572 58.200 -0.877 0.000 0.949 42 S CB -0.466 62.385 63.200 -0.582 0.000 0.766 42 S HN 1.707 nan 8.310 nan 0.000 0.517 43 G N 0.425 107.877 108.800 -2.247 0.000 2.175 43 G HA2 -0.191 3.770 3.960 0.002 0.000 0.244 43 G HA3 -0.191 3.770 3.960 0.002 0.000 0.244 43 G C -0.190 173.888 174.900 -1.370 0.000 0.982 43 G CA 0.226 43.896 45.100 -2.383 0.000 0.641 43 G HN 0.585 nan 8.290 nan 0.000 0.527 44 E N 0.721 120.458 120.200 -0.771 0.000 2.222 44 E HA 0.611 4.962 4.350 0.002 0.000 0.267 44 E C 0.233 176.955 176.600 0.204 0.000 0.963 44 E CA 0.147 56.437 56.400 -0.183 0.000 0.837 44 E CB 1.813 31.400 29.700 -0.188 0.000 1.183 44 E HN 0.483 nan 8.360 nan 0.000 0.403 45 T N -2.441 112.212 114.554 0.165 0.000 2.932 45 T HA 0.730 5.081 4.350 0.002 0.000 0.289 45 T C 0.432 175.186 174.700 0.090 0.000 1.039 45 T CA -0.046 62.161 62.100 0.180 0.000 1.024 45 T CB 1.769 70.733 68.868 0.160 0.000 1.090 45 T HN 0.778 nan 8.240 nan 0.000 0.496 46 G N 1.603 110.450 108.800 0.078 0.000 2.707 46 G HA2 -0.049 3.912 3.960 0.002 0.000 0.686 46 G HA3 -0.049 3.912 3.960 0.002 0.000 0.686 46 G C -0.104 174.822 174.900 0.044 0.000 1.315 46 G CA -0.220 44.908 45.100 0.046 0.000 0.832 46 G HN 1.593 nan 8.290 nan 0.000 0.573 47 N N -0.659 118.058 118.700 0.028 0.000 2.710 47 N HA -0.212 4.529 4.740 0.002 0.000 0.249 47 N C 1.117 176.652 175.510 0.041 0.000 1.059 47 N CA 1.519 54.585 53.050 0.025 0.000 0.720 47 N CB -0.371 38.124 38.487 0.013 0.000 0.983 47 N HN 0.848 nan 8.380 nan 0.000 0.544 48 E N -0.404 119.825 120.200 0.048 0.000 2.333 48 E HA -0.118 4.233 4.350 0.002 0.000 0.198 48 E C 0.585 177.215 176.600 0.049 0.000 1.007 48 E CA 0.981 57.419 56.400 0.062 0.000 0.845 48 E CB 0.098 29.824 29.700 0.044 0.000 0.766 48 E HN 0.459 nan 8.360 nan 0.000 0.507 49 D N 0.398 120.818 120.400 0.033 0.000 2.340 49 D HA 0.024 4.665 4.640 0.002 0.000 0.217 49 D C 0.106 176.424 176.300 0.030 0.000 1.081 49 D CA 0.141 54.156 54.000 0.025 0.000 0.842 49 D CB 0.141 40.949 40.800 0.013 0.000 0.934 49 D HN 0.145 nan 8.370 nan 0.000 0.511 50 Q N 0.979 120.801 119.800 0.036 0.000 2.312 50 Q HA 0.295 4.636 4.340 0.002 0.000 0.236 50 Q C -2.104 173.925 176.000 0.047 0.000 0.965 50 Q CA -1.524 54.298 55.803 0.032 0.000 0.894 50 Q CB 0.275 29.026 28.738 0.023 0.000 1.225 50 Q HN 0.010 nan 8.270 nan 0.000 0.478 51 P HA -0.024 nan 4.420 nan 0.000 0.268 51 P C -0.484 176.861 177.300 0.076 0.000 1.208 51 P CA -0.441 62.693 63.100 0.057 0.000 0.777 51 P CB 0.340 32.065 31.700 0.043 0.000 0.875 52 L N 2.201 123.491 121.223 0.112 0.000 2.593 52 L HA -0.061 4.280 4.340 0.002 0.000 0.287 52 L C 0.917 177.834 176.870 0.078 0.000 1.243 52 L CA 0.953 55.874 54.840 0.134 0.000 0.890 52 L CB -0.909 41.270 42.059 0.201 0.000 1.134 52 L HN 0.347 nan 8.230 nan 0.000 0.502 53 K N 3.720 124.143 120.400 0.039 0.000 2.201 53 K HA 0.355 4.676 4.320 0.002 0.000 0.278 53 K C -0.457 176.162 176.600 0.032 0.000 1.027 53 K CA -0.397 55.893 56.287 0.005 0.000 0.909 53 K CB 0.846 33.312 32.500 -0.057 0.000 1.062 53 K HN 0.400 nan 8.250 nan 0.000 0.465 54 K N 2.322 122.750 120.400 0.045 0.000 2.376 54 K HA 0.453 4.773 4.320 0.002 0.000 0.257 54 K C -1.295 175.350 176.600 0.075 0.000 0.939 54 K CA -0.829 55.511 56.287 0.088 0.000 0.809 54 K CB 1.973 34.531 32.500 0.097 0.000 1.121 54 K HN 0.206 nan 8.250 nan 0.000 0.425 55 V N 2.175 122.168 119.914 0.132 0.000 2.709 55 V HA 0.422 4.543 4.120 0.002 0.000 0.308 55 V C -0.710 175.547 176.094 0.271 0.000 1.062 55 V CA -1.040 61.331 62.300 0.118 0.000 0.901 55 V CB 1.955 33.767 31.823 -0.017 0.000 1.003 55 V HN 0.658 nan 8.190 nan 0.000 0.425 56 K N 3.040 123.563 120.400 0.204 0.000 2.323 56 K HA 0.593 4.914 4.320 0.002 0.000 0.259 56 K C -0.951 175.789 176.600 0.234 0.000 0.947 56 K CA -0.709 55.721 56.287 0.238 0.000 0.819 56 K CB 1.442 34.026 32.500 0.140 0.000 1.109 56 K HN 0.707 nan 8.250 nan 0.000 0.429 57 K N 3.474 124.082 120.400 0.348 0.000 2.664 57 K HA 0.246 4.567 4.320 0.002 0.000 0.234 57 K C -0.030 176.706 176.600 0.226 0.000 0.980 57 K CA 0.125 56.582 56.287 0.284 0.000 0.996 57 K CB 1.116 33.827 32.500 0.351 0.000 1.190 57 K HN 0.944 nan 8.250 nan 0.000 0.479 58 G N 3.605 112.486 108.800 0.136 0.000 2.574 58 G HA2 -0.410 3.551 3.960 0.002 0.000 0.301 58 G HA3 -0.410 3.551 3.960 0.002 0.000 0.301 58 G C 0.338 175.283 174.900 0.076 0.000 1.166 58 G CA 0.600 45.758 45.100 0.096 0.000 0.971 58 G HN 0.730 nan 8.290 nan 0.000 0.542 59 N N 1.482 120.216 118.700 0.057 0.000 2.270 59 N HA 0.207 4.948 4.740 0.002 0.000 0.198 59 N C 0.677 176.177 175.510 -0.017 0.000 1.117 59 N CA 0.535 53.599 53.050 0.025 0.000 0.845 59 N CB 0.032 38.531 38.487 0.020 0.000 0.980 59 N HN 0.722 nan 8.380 nan 0.000 0.486 60 I N 0.581 121.131 120.570 -0.034 0.000 2.441 60 I HA 0.277 4.448 4.170 0.002 0.000 0.295 60 I C -0.544 175.477 176.117 -0.161 0.000 0.994 60 I CA -0.634 60.534 61.300 -0.220 0.000 1.144 60 I CB 1.995 39.700 38.000 -0.490 0.000 1.314 60 I HN -0.189 nan 8.210 nan 0.000 0.445 61 T N 4.760 119.202 114.554 -0.186 0.000 2.792 61 T HA 0.372 4.723 4.350 0.002 0.000 0.280 61 T C -0.756 173.927 174.700 -0.027 0.000 0.990 61 T CA -0.444 61.663 62.100 0.012 0.000 0.960 61 T CB 1.065 69.972 68.868 0.065 0.000 0.939 61 T HN 0.354 nan 8.240 nan 0.000 0.439 62 W N 2.053 123.398 121.300 0.075 0.000 2.469 62 W HA 0.649 5.310 4.660 0.001 0.000 0.320 62 W C -0.115 176.417 176.519 0.022 0.000 1.086 62 W CA -1.063 56.298 57.345 0.025 0.000 1.211 62 W CB 1.458 30.859 29.460 -0.098 0.000 1.298 62 W HN 0.627 nan 8.180 nan 0.000 0.525 63 A N 2.824 125.786 122.820 0.235 0.000 2.357 63 A HA 0.602 4.923 4.320 0.002 0.000 0.295 63 A C -0.410 177.195 177.584 0.035 0.000 1.121 63 A CA -0.445 51.710 52.037 0.198 0.000 0.742 63 A CB 0.969 20.172 19.000 0.339 0.000 1.181 63 A HN 0.438 nan 8.150 nan 0.000 0.454 64 S N 1.343 117.001 115.700 -0.070 0.000 2.568 64 S HA 0.923 5.394 4.470 0.002 0.000 0.302 64 S C -0.470 174.025 174.600 -0.174 0.000 1.082 64 S CA -0.662 57.350 58.200 -0.314 0.000 1.009 64 S CB 1.219 64.184 63.200 -0.392 0.000 1.069 64 S HN 1.283 nan 8.310 nan 0.000 0.500 65 F N -0.291 119.554 119.950 -0.176 0.000 2.561 65 F HA 0.763 5.291 4.527 0.001 0.000 0.321 65 F C -0.441 175.385 175.800 0.044 0.000 1.065 65 F CA -1.259 56.705 58.000 -0.061 0.000 0.934 65 F CB 0.541 39.499 39.000 -0.069 0.000 1.215 65 F HN 0.401 nan 8.300 nan 0.000 0.471 66 N N 1.008 119.867 118.700 0.265 0.000 2.463 66 N HA 0.557 5.298 4.740 0.002 0.000 0.270 66 N C -1.358 174.387 175.510 0.391 0.000 1.205 66 N CA -0.375 52.854 53.050 0.298 0.000 0.974 66 N CB 1.072 39.647 38.487 0.146 0.000 1.197 66 N HN 0.470 nan 8.380 nan 0.000 0.504 67 L N 0.105 121.519 121.223 0.320 0.000 2.354 67 L HA 0.446 4.787 4.340 0.002 0.000 0.269 67 L C 0.425 177.338 176.870 0.073 0.000 1.005 67 L CA -0.694 54.208 54.840 0.103 0.000 0.819 67 L CB 1.401 43.370 42.059 -0.151 0.000 1.311 67 L HN 0.730 nan 8.230 nan 0.000 0.423 68 S N 0.985 116.698 115.700 0.022 0.000 2.600 68 S HA 0.155 4.626 4.470 0.002 0.000 0.265 68 S C 0.952 175.569 174.600 0.028 0.000 1.325 68 S CA -0.282 57.933 58.200 0.026 0.000 1.002 68 S CB 0.791 63.996 63.200 0.008 0.000 0.921 68 S HN 0.580 nan 8.310 nan 0.000 0.554 69 E N 0.649 120.872 120.200 0.038 0.000 2.085 69 E HA -0.195 4.156 4.350 0.002 0.000 0.194 69 E C 2.027 178.653 176.600 0.044 0.000 0.994 69 E CA 1.617 58.044 56.400 0.046 0.000 0.801 69 E CB -0.468 29.257 29.700 0.042 0.000 0.743 69 E HN 0.865 nan 8.360 nan 0.000 0.453 70 Q N 0.027 119.847 119.800 0.033 0.000 2.079 70 Q HA -0.145 4.196 4.340 0.002 0.000 0.200 70 Q C 1.445 177.472 176.000 0.044 0.000 0.974 70 Q CA 1.399 57.223 55.803 0.035 0.000 0.840 70 Q CB 0.127 28.878 28.738 0.022 0.000 0.898 70 Q HN 0.171 nan 8.270 nan 0.000 0.430 71 D N 0.690 121.103 120.400 0.022 0.000 2.117 71 D HA -0.176 4.465 4.640 0.002 0.000 0.197 71 D C 1.880 178.237 176.300 0.095 0.000 0.987 71 D CA 0.575 54.588 54.000 0.023 0.000 0.829 71 D CB -0.299 40.462 40.800 -0.065 0.000 0.961 71 D HN 0.228 nan 8.370 nan 0.000 0.460 72 L N 1.006 122.252 121.223 0.038 0.000 2.012 72 L HA -0.232 4.109 4.340 0.002 0.000 0.210 72 L C 1.962 178.927 176.870 0.158 0.000 1.073 72 L CA 1.874 56.736 54.840 0.037 0.000 0.748 72 L CB -0.443 41.601 42.059 -0.025 0.000 0.891 72 L HN -0.030 nan 8.230 nan 0.000 0.431 73 D N -0.489 119.984 120.400 0.122 0.000 2.117 73 D HA -0.212 4.429 4.640 0.002 0.000 0.197 73 D C 2.076 178.458 176.300 0.137 0.000 0.987 73 D CA 1.532 55.603 54.000 0.119 0.000 0.829 73 D CB 0.217 41.068 40.800 0.085 0.000 0.961 73 D HN 0.408 nan 8.370 nan 0.000 0.460 74 E N -1.554 118.740 120.200 0.156 0.000 2.060 74 E HA -0.107 4.244 4.350 0.002 0.000 0.189 74 E C 1.819 178.594 176.600 0.291 0.000 0.974 74 E CA 0.544 57.051 56.400 0.178 0.000 0.808 74 E CB -0.159 29.619 29.700 0.130 0.000 0.768 74 E HN 0.474 nan 8.360 nan 0.000 0.453 75 Y N -0.612 119.802 120.300 0.189 0.000 2.269 75 Y HA -0.168 4.383 4.550 0.002 0.000 0.294 75 Y C 1.944 178.081 175.900 0.396 0.000 1.120 75 Y CA 1.088 59.378 58.100 0.316 0.000 1.159 75 Y CB -0.059 38.503 38.460 0.171 0.000 1.024 75 Y HN 0.031 nan 8.280 nan 0.000 0.532 76 Y N 0.740 121.001 120.300 -0.064 0.000 2.222 76 Y HA 0.096 4.647 4.550 0.002 0.000 0.290 76 Y C 1.951 177.828 175.900 -0.037 0.000 1.123 76 Y CA 1.819 59.790 58.100 -0.216 0.000 1.120 76 Y CB -0.765 37.548 38.460 -0.245 0.000 1.060 76 Y HN 0.123 nan 8.280 nan 0.000 0.508 77 N N -0.515 118.161 118.700 -0.040 0.000 2.188 77 N HA -0.142 4.599 4.740 0.002 0.000 0.184 77 N C 1.652 177.125 175.510 -0.062 0.000 1.018 77 N CA 1.424 54.394 53.050 -0.134 0.000 0.858 77 N CB 0.013 38.502 38.487 0.003 0.000 0.989 77 N HN 0.496 nan 8.380 nan 0.000 0.426 78 Q N -0.339 119.481 119.800 0.033 0.000 2.123 78 Q HA 0.039 4.380 4.340 0.002 0.000 0.193 78 Q C 1.449 177.483 176.000 0.056 0.000 0.981 78 Q CA 0.657 56.494 55.803 0.056 0.000 0.833 78 Q CB -0.178 28.618 28.738 0.096 0.000 0.914 78 Q HN 0.241 nan 8.270 nan 0.000 0.484 79 F N 1.344 121.298 119.950 0.006 0.000 2.084 79 F HA -0.163 4.365 4.527 0.001 0.000 0.296 79 F C 2.451 178.193 175.800 -0.097 0.000 1.111 79 F CA 1.462 59.435 58.000 -0.045 0.000 1.224 79 F CB -0.082 38.883 39.000 -0.059 0.000 0.991 79 F HN -0.036 nan 8.300 nan 0.000 0.471 80 S N 0.353 116.087 115.700 0.057 0.000 2.356 80 S HA -0.170 4.301 4.470 0.002 0.000 0.223 80 S C 1.602 176.197 174.600 -0.008 0.000 1.032 80 S CA 1.567 59.795 58.200 0.046 0.000 1.005 80 S CB -0.380 62.862 63.200 0.070 0.000 0.867 80 S HN 0.393 nan 8.310 nan 0.000 0.449 81 N N 0.848 119.484 118.700 -0.106 0.000 2.405 81 N HA 0.242 4.983 4.740 0.002 0.000 0.175 81 N C 0.960 176.495 175.510 0.042 0.000 1.051 81 N CA 0.785 53.773 53.050 -0.104 0.000 0.899 81 N CB 0.013 38.286 38.487 -0.357 0.000 1.000 81 N HN 0.391 nan 8.380 nan 0.000 0.451 82 A N -0.648 122.163 122.820 -0.016 0.000 2.469 82 A HA 0.409 4.730 4.320 0.002 0.000 0.245 82 A C 1.293 178.838 177.584 -0.064 0.000 1.221 82 A CA -0.082 51.968 52.037 0.021 0.000 0.946 82 A CB 0.498 19.513 19.000 0.025 0.000 1.049 82 A HN 0.018 nan 8.150 nan 0.000 0.529 83 V N -1.071 118.714 119.914 -0.215 0.000 3.134 83 V HA 0.108 4.229 4.120 0.002 0.000 0.222 83 V C 2.124 178.018 176.094 -0.332 0.000 1.247 83 V CA 0.638 62.725 62.300 -0.355 0.000 1.281 83 V CB -0.688 30.646 31.823 -0.815 0.000 1.169 83 V HN 0.418 nan 8.190 nan 0.000 0.512 84 L N -0.379 120.567 121.223 -0.462 0.000 2.023 84 L HA -0.123 4.218 4.340 0.002 0.000 0.205 84 L C 2.452 179.096 176.870 -0.377 0.000 1.073 84 L CA 2.078 56.630 54.840 -0.480 0.000 0.745 84 L CB -0.518 41.228 42.059 -0.521 0.000 0.900 84 L HN 0.565 nan 8.230 nan 0.000 0.435 85 W N 3.019 124.049 121.300 -0.450 0.000 2.317 85 W HA -0.166 4.494 4.660 0.001 0.000 0.318 85 W C -0.675 175.900 176.519 0.093 0.000 1.227 85 W CA 2.069 59.240 57.345 -0.290 0.000 1.269 85 W CB -1.533 27.760 29.460 -0.277 0.000 1.155 85 W HN 0.112 nan 8.180 nan 0.000 0.484 86 P HA -0.145 nan 4.420 nan 0.000 0.216 86 P C 1.592 178.953 177.300 0.102 0.000 1.153 86 P CA 3.029 66.280 63.100 0.252 0.000 0.848 86 P CB -0.408 31.406 31.700 0.191 0.000 0.787 87 A N -0.403 122.445 122.820 0.046 0.000 1.877 87 A HA -0.121 4.200 4.320 0.002 0.000 0.216 87 A C 2.186 179.794 177.584 0.041 0.000 1.186 87 A CA 1.234 53.283 52.037 0.021 0.000 0.620 87 A CB -1.836 17.181 19.000 0.028 0.000 0.822 87 A HN 0.123 nan 8.150 nan 0.000 0.443 88 F N -1.164 118.627 119.950 -0.264 0.000 2.451 88 F HA -0.132 4.396 4.527 0.001 0.000 0.299 88 F C 1.609 177.153 175.800 -0.426 0.000 1.101 88 F CA 0.823 58.596 58.000 -0.378 0.000 1.436 88 F CB -0.069 38.685 39.000 -0.409 0.000 1.074 88 F HN 0.324 nan 8.300 nan 0.000 0.553 89 H N -1.965 117.062 119.070 -0.072 0.000 2.507 89 H HA 0.154 4.711 4.556 0.001 0.000 0.294 89 H C -0.676 174.784 175.328 0.220 0.000 1.064 89 H CA -0.347 55.699 56.048 -0.002 0.000 1.138 89 H CB -0.614 28.991 29.762 -0.263 0.000 1.515 89 H HN 0.122 nan 8.280 nan 0.000 0.547 90 Y N 0.090 120.373 120.300 -0.027 0.000 3.389 90 Y HA -0.276 4.275 4.550 0.001 0.000 0.213 90 Y C 0.083 175.971 175.900 -0.021 0.000 1.272 90 Y CA -0.050 58.025 58.100 -0.042 0.000 1.444 90 Y CB -1.021 37.396 38.460 -0.071 0.000 1.445 90 Y HN 0.317 nan 8.280 nan 0.000 0.583 91 R N 0.520 121.070 120.500 0.083 0.000 2.835 91 R HA 0.223 4.564 4.340 0.002 0.000 0.290 91 R C 0.683 176.961 176.300 -0.038 0.000 1.410 91 R CA -0.504 55.606 56.100 0.016 0.000 1.590 91 R CB 0.479 30.782 30.300 0.005 0.000 1.288 91 R HN 0.224 nan 8.270 nan 0.000 0.637 92 L N 1.647 122.839 121.223 -0.052 0.000 2.127 92 L HA -0.191 4.150 4.340 0.002 0.000 0.211 92 L C 2.015 178.843 176.870 -0.071 0.000 1.089 92 L CA 1.939 56.735 54.840 -0.074 0.000 0.757 92 L CB -0.403 41.603 42.059 -0.089 0.000 0.899 92 L HN 0.436 nan 8.230 nan 0.000 0.434 93 D N -1.746 118.610 120.400 -0.072 0.000 2.351 93 D HA -0.205 4.436 4.640 0.002 0.000 0.216 93 D C 1.763 178.007 176.300 -0.094 0.000 0.968 93 D CA 0.712 54.666 54.000 -0.076 0.000 0.899 93 D CB 0.054 40.808 40.800 -0.077 0.000 0.907 93 D HN 0.232 nan 8.370 nan 0.000 0.514 94 L N 0.848 122.001 121.223 -0.116 0.000 2.638 94 L HA 0.164 4.505 4.340 0.002 0.000 0.232 94 L C 0.845 177.673 176.870 -0.071 0.000 1.099 94 L CA -0.117 54.637 54.840 -0.143 0.000 0.883 94 L CB 0.347 42.230 42.059 -0.294 0.000 1.136 94 L HN -0.006 nan 8.230 nan 0.000 0.492 95 V N 0.219 120.103 119.914 -0.051 0.000 2.763 95 V HA 0.153 4.274 4.120 0.002 0.000 0.306 95 V C 0.258 176.353 176.094 0.002 0.000 1.059 95 V CA -0.103 62.180 62.300 -0.028 0.000 1.138 95 V CB 1.016 32.812 31.823 -0.045 0.000 0.940 95 V HN 0.423 nan 8.190 nan 0.000 0.489 96 Q N 4.970 124.781 119.800 0.018 0.000 2.928 96 Q HA 0.407 4.748 4.340 0.002 0.000 0.353 96 Q C -0.897 175.144 176.000 0.068 0.000 0.870 96 Q CA -0.339 55.487 55.803 0.038 0.000 0.963 96 Q CB 0.442 29.190 28.738 0.017 0.000 1.419 96 Q HN 0.880 nan 8.270 nan 0.000 0.396 97 F N 1.258 121.199 119.950 -0.016 0.000 2.504 97 F HA 0.335 4.862 4.527 0.001 0.000 0.369 97 F C -0.096 175.751 175.800 0.078 0.000 1.082 97 F CA 0.585 58.607 58.000 0.038 0.000 1.216 97 F CB 0.445 39.450 39.000 0.008 0.000 1.108 97 F HN 0.229 nan 8.300 nan 0.000 0.554 98 Q N 5.081 124.529 119.800 -0.587 0.000 2.379 98 Q HA 0.311 4.652 4.340 0.002 0.000 0.278 98 Q C 0.657 176.298 176.000 -0.598 0.000 1.068 98 Q CA -1.069 54.486 55.803 -0.414 0.000 0.816 98 Q CB 2.177 30.844 28.738 -0.118 0.000 1.387 98 Q HN 0.600 nan 8.270 nan 0.000 0.413 99 R N 1.056 121.397 120.500 -0.266 0.000 2.091 99 R HA -0.106 4.235 4.340 0.002 0.000 0.238 99 R C -1.066 175.240 176.300 0.009 0.000 1.136 99 R CA 1.694 57.764 56.100 -0.051 0.000 0.959 99 R CB -1.110 29.267 30.300 0.129 0.000 0.856 99 R HN 0.491 nan 8.270 nan 0.000 0.437 100 P HA -0.083 nan 4.420 nan 0.000 0.218 100 P C 0.943 178.257 177.300 0.024 0.000 1.148 100 P CA 1.634 64.743 63.100 0.015 0.000 0.822 100 P CB -0.097 31.612 31.700 0.015 0.000 0.784 101 A N -0.956 121.877 122.820 0.021 0.000 1.930 101 A HA -0.175 4.146 4.320 0.002 0.000 0.217 101 A C 2.208 179.867 177.584 0.126 0.000 1.175 101 A CA 1.082 53.188 52.037 0.115 0.000 0.627 101 A CB -1.915 17.181 19.000 0.161 0.000 0.815 101 A HN 0.321 nan 8.150 nan 0.000 0.443 102 W N 1.128 122.313 121.300 -0.192 0.000 2.358 102 W HA -0.181 4.480 4.660 0.001 0.000 0.303 102 W C 0.888 177.318 176.519 -0.148 0.000 1.208 102 W CA 1.743 58.865 57.345 -0.372 0.000 1.274 102 W CB -0.176 29.163 29.460 -0.201 0.000 1.138 102 W HN 0.382 nan 8.180 nan 0.000 0.515 103 D N 0.148 120.456 120.400 -0.155 0.000 2.144 103 D HA -0.118 4.523 4.640 0.002 0.000 0.199 103 D C 2.366 178.550 176.300 -0.194 0.000 0.984 103 D CA 1.958 55.822 54.000 -0.228 0.000 0.834 103 D CB -1.050 39.710 40.800 -0.067 0.000 0.955 103 D HN 0.312 nan 8.370 nan 0.000 0.465 104 G N -0.349 108.408 108.800 -0.073 0.000 2.402 104 G HA2 -0.297 3.664 3.960 0.002 0.000 0.216 104 G HA3 -0.297 3.664 3.960 0.002 0.000 0.216 104 G C 1.594 176.509 174.900 0.024 0.000 1.162 104 G CA 0.448 45.543 45.100 -0.009 0.000 0.777 104 G HN 0.254 nan 8.290 nan 0.000 0.539 105 Y N 1.250 121.494 120.300 -0.093 0.000 2.114 105 Y HA -0.119 4.432 4.550 0.002 0.000 0.282 105 Y C 2.567 178.351 175.900 -0.193 0.000 1.165 105 Y CA 1.518 59.601 58.100 -0.028 0.000 1.148 105 Y CB -0.245 38.061 38.460 -0.257 0.000 0.972 105 Y HN 0.111 nan 8.280 nan 0.000 0.504 106 L N -0.449 120.510 121.223 -0.441 0.000 2.056 106 L HA -0.197 4.144 4.340 0.002 0.000 0.207 106 L C 2.733 179.418 176.870 -0.309 0.000 1.078 106 L CA 1.593 56.147 54.840 -0.478 0.000 0.749 106 L CB -0.603 41.102 42.059 -0.589 0.000 0.901 106 L HN 0.137 nan 8.230 nan 0.000 0.433 107 R N 0.240 120.589 120.500 -0.250 0.000 2.083 107 R HA -0.184 4.157 4.340 0.002 0.000 0.237 107 R C 2.348 178.517 176.300 -0.219 0.000 1.137 107 R CA 2.035 58.020 56.100 -0.192 0.000 0.951 107 R CB -0.280 29.935 30.300 -0.142 0.000 0.851 107 R HN 0.348 nan 8.270 nan 0.000 0.434 108 V N 0.315 120.060 119.914 -0.281 0.000 2.548 108 V HA -0.128 3.993 4.120 0.002 0.000 0.249 108 V C 1.620 177.489 176.094 -0.375 0.000 1.055 108 V CA 1.793 63.842 62.300 -0.418 0.000 1.065 108 V CB -0.539 30.868 31.823 -0.693 0.000 0.681 108 V HN 0.365 nan 8.190 nan 0.000 0.462 109 N N 1.019 119.535 118.700 -0.307 0.000 2.149 109 N HA -0.165 4.576 4.740 0.002 0.000 0.188 109 N C 1.948 177.448 175.510 -0.016 0.000 1.019 109 N CA 1.861 54.871 53.050 -0.065 0.000 0.857 109 N CB -0.230 38.214 38.487 -0.073 0.000 0.997 109 N HN 0.675 nan 8.380 nan 0.000 0.426 110 A N 1.870 124.613 122.820 -0.129 0.000 1.898 110 A HA -0.059 4.262 4.320 0.002 0.000 0.216 110 A C 2.269 179.780 177.584 -0.122 0.000 1.181 110 A CA 0.634 52.590 52.037 -0.135 0.000 0.620 110 A CB -0.691 18.224 19.000 -0.142 0.000 0.819 110 A HN 0.245 nan 8.150 nan 0.000 0.442 111 L N -0.842 120.296 121.223 -0.141 0.000 2.012 111 L HA -0.170 4.171 4.340 0.002 0.000 0.210 111 L C 2.359 179.156 176.870 -0.121 0.000 1.073 111 L CA 1.732 56.485 54.840 -0.146 0.000 0.748 111 L CB -0.479 41.462 42.059 -0.198 0.000 0.891 111 L HN 0.315 nan 8.230 nan 0.000 0.431 112 L N 0.208 121.367 121.223 -0.106 0.000 2.083 112 L HA -0.117 4.224 4.340 0.002 0.000 0.209 112 L C 2.858 179.878 176.870 0.250 0.000 1.083 112 L CA 1.909 56.763 54.840 0.023 0.000 0.752 112 L CB -1.393 40.681 42.059 0.025 0.000 0.899 112 L HN 0.258 nan 8.230 nan 0.000 0.433 113 A N -0.979 121.945 122.820 0.172 0.000 1.933 113 A HA -0.199 4.122 4.320 0.002 0.000 0.218 113 A C 2.021 179.525 177.584 -0.132 0.000 1.175 113 A CA 1.725 53.670 52.037 -0.153 0.000 0.628 113 A CB -0.517 18.189 19.000 -0.490 0.000 0.814 113 A HN 0.396 nan 8.150 nan 0.000 0.444 114 D N -0.308 120.034 120.400 -0.098 0.000 2.144 114 D HA -0.102 4.539 4.640 0.002 0.000 0.200 114 D C 1.890 178.156 176.300 -0.058 0.000 0.978 114 D CA 1.235 55.184 54.000 -0.086 0.000 0.833 114 D CB -0.172 40.583 40.800 -0.076 0.000 0.961 114 D HN 0.471 nan 8.370 nan 0.000 0.470 115 K N 0.201 120.589 120.400 -0.020 0.000 2.155 115 K HA 0.026 4.347 4.320 0.002 0.000 0.203 115 K C 2.129 178.700 176.600 -0.050 0.000 1.052 115 K CA 0.136 56.452 56.287 0.048 0.000 0.948 115 K CB 0.100 32.704 32.500 0.174 0.000 0.728 115 K HN 0.098 nan 8.250 nan 0.000 0.448 116 L N 1.246 122.315 121.223 -0.257 0.000 2.072 116 L HA -0.122 4.219 4.340 0.002 0.000 0.205 116 L C 2.144 178.874 176.870 -0.234 0.000 1.079 116 L CA 0.859 55.377 54.840 -0.538 0.000 0.752 116 L CB -0.251 41.467 42.059 -0.568 0.000 0.906 116 L HN 0.302 nan 8.230 nan 0.000 0.436 117 L N 0.560 121.689 121.223 -0.155 0.000 2.010 117 L HA -0.239 4.102 4.340 0.002 0.000 0.219 117 L C -0.316 176.509 176.870 -0.074 0.000 1.077 117 L CA 2.159 56.933 54.840 -0.110 0.000 0.773 117 L CB -1.698 40.300 42.059 -0.102 0.000 0.892 117 L HN 0.263 nan 8.230 nan 0.000 0.436 118 P HA -0.118 nan 4.420 nan 0.000 0.228 118 P C 1.604 178.894 177.300 -0.017 0.000 1.151 118 P CA 1.083 64.167 63.100 -0.026 0.000 0.770 118 P CB 0.057 31.751 31.700 -0.009 0.000 0.786 119 L N -2.195 119.010 121.223 -0.030 0.000 2.446 119 L HA 0.080 4.421 4.340 0.002 0.000 0.219 119 L C 1.078 177.944 176.870 -0.006 0.000 1.116 119 L CA 0.039 54.876 54.840 -0.006 0.000 0.844 119 L CB -0.380 41.677 42.059 -0.003 0.000 0.970 119 L HN -0.031 nan 8.230 nan 0.000 0.457 120 L N 0.327 121.535 121.223 -0.024 0.000 2.395 120 L HA 0.202 4.543 4.340 0.002 0.000 0.269 120 L C -0.098 176.770 176.870 -0.003 0.000 1.133 120 L CA -0.004 54.829 54.840 -0.012 0.000 0.812 120 L CB 0.842 42.886 42.059 -0.024 0.000 1.125 120 L HN 0.149 nan 8.230 nan 0.000 0.452 121 Q N 0.662 120.466 119.800 0.006 0.000 2.351 121 Q HA 0.187 4.528 4.340 0.002 0.000 0.273 121 Q C -0.164 175.839 176.000 0.006 0.000 1.077 121 Q CA -0.964 54.843 55.803 0.006 0.000 0.843 121 Q CB 2.012 30.757 28.738 0.012 0.000 1.367 121 Q HN 0.458 nan 8.270 nan 0.000 0.449 122 D N 1.044 121.445 120.400 0.002 0.000 2.133 122 D HA -0.231 4.410 4.640 0.002 0.000 0.192 122 D C 0.960 177.264 176.300 0.007 0.000 1.001 122 D CA 1.523 55.524 54.000 0.002 0.000 0.844 122 D CB 0.048 40.848 40.800 0.000 0.000 0.944 122 D HN 0.554 nan 8.370 nan 0.000 0.447 123 D N 0.883 121.289 120.400 0.010 0.000 2.157 123 D HA -0.125 4.516 4.640 0.002 0.000 0.191 123 D C 0.103 176.415 176.300 0.019 0.000 1.004 123 D CA 0.935 54.943 54.000 0.013 0.000 0.854 123 D CB -0.317 40.491 40.800 0.014 0.000 0.936 123 D HN 0.270 nan 8.370 nan 0.000 0.446 124 D N 0.100 120.516 120.400 0.026 0.000 2.478 124 D HA 0.059 4.700 4.640 0.002 0.000 0.234 124 D C 0.209 176.539 176.300 0.050 0.000 1.154 124 D CA 0.382 54.407 54.000 0.041 0.000 0.874 124 D CB 0.751 41.579 40.800 0.048 0.000 1.198 124 D HN 0.078 nan 8.370 nan 0.000 0.455 125 I N 2.531 123.139 120.570 0.063 0.000 2.362 125 I HA 0.262 4.433 4.170 0.002 0.000 0.289 125 I C -0.094 176.103 176.117 0.134 0.000 0.994 125 I CA -0.396 60.948 61.300 0.073 0.000 1.158 125 I CB 0.921 38.945 38.000 0.040 0.000 1.315 125 I HN 0.094 nan 8.210 nan 0.000 0.451 126 I N 6.037 126.712 120.570 0.175 0.000 2.404 126 I HA 0.300 4.471 4.170 0.002 0.000 0.293 126 I C -1.235 175.109 176.117 0.378 0.000 0.992 126 I CA -0.531 60.924 61.300 0.258 0.000 1.149 126 I CB 1.697 39.841 38.000 0.240 0.000 1.315 126 I HN 0.548 nan 8.210 nan 0.000 0.446 127 W N 8.485 129.888 121.300 0.172 0.000 2.543 127 W HA 0.504 5.165 4.660 0.002 0.000 0.318 127 W C -1.622 174.961 176.519 0.106 0.000 1.002 127 W CA -1.059 56.341 57.345 0.092 0.000 1.302 127 W CB 0.984 30.420 29.460 -0.041 0.000 1.299 127 W HN 0.135 nan 8.180 nan 0.000 0.424 128 I N 6.103 126.952 120.570 0.466 0.000 2.392 128 I HA 0.268 4.439 4.170 0.002 0.000 0.295 128 I C 0.235 176.357 176.117 0.009 0.000 0.985 128 I CA -0.709 60.820 61.300 0.381 0.000 1.221 128 I CB 1.172 39.608 38.000 0.727 0.000 1.366 128 I HN 0.315 nan 8.210 nan 0.000 0.467 129 H N 4.378 123.505 119.070 0.095 0.000 2.505 129 H HA 0.370 4.927 4.556 0.001 0.000 0.338 129 H C -0.661 174.747 175.328 0.134 0.000 1.057 129 H CA -0.378 55.675 56.048 0.008 0.000 1.202 129 H CB 1.959 31.712 29.762 -0.014 0.000 1.466 129 H HN 0.590 nan 8.280 nan 0.000 0.499 130 D N 0.405 120.890 120.400 0.142 0.000 10.639 130 D HA -0.228 4.413 4.640 0.002 0.000 0.356 130 D C 0.718 177.320 176.300 0.503 0.000 3.104 130 D CA 0.692 54.897 54.000 0.342 0.000 2.568 130 D CB -0.379 40.572 40.800 0.252 0.000 1.215 130 D HN 0.686 nan 8.370 nan 0.000 0.959 131 Y N -0.245 120.309 120.300 0.423 0.000 2.483 131 Y HA 0.019 4.570 4.550 0.002 0.000 0.291 131 Y C 2.029 178.122 175.900 0.321 0.000 1.143 131 Y CA 1.822 60.096 58.100 0.290 0.000 1.289 131 Y CB -0.858 37.559 38.460 -0.072 0.000 0.983 131 Y HN 0.472 nan 8.280 nan 0.000 0.556 132 H N 0.515 119.610 119.070 0.041 0.000 2.489 132 H HA 0.064 4.621 4.556 0.002 0.000 0.293 132 H C 0.804 176.408 175.328 0.460 0.000 1.066 132 H CA 1.555 57.778 56.048 0.292 0.000 1.305 132 H CB -0.173 29.640 29.762 0.086 0.000 1.386 132 H HN 0.416 nan 8.280 nan 0.000 0.551 133 L N 0.320 121.884 121.223 0.569 0.000 3.289 133 L HA 0.176 4.516 4.340 0.002 0.000 0.291 133 L C 0.784 177.969 176.870 0.525 0.000 1.279 133 L CA -0.084 55.048 54.840 0.488 0.000 1.025 133 L CB 0.405 42.702 42.059 0.397 0.000 1.413 133 L HN 0.188 nan 8.230 nan 0.000 0.593 134 L N 0.702 122.228 121.223 0.505 0.000 2.021 134 L HA -0.173 4.168 4.340 0.002 0.000 0.215 134 L C -0.471 176.605 176.870 0.344 0.000 1.074 134 L CA 1.640 56.688 54.840 0.346 0.000 0.760 134 L CB -1.524 40.836 42.059 0.503 0.000 0.889 134 L HN 0.322 nan 8.230 nan 0.000 0.433 135 P HA -0.093 nan 4.420 nan 0.000 0.245 135 P C 1.211 178.625 177.300 0.190 0.000 1.212 135 P CA 0.618 63.840 63.100 0.203 0.000 0.774 135 P CB -0.019 31.730 31.700 0.082 0.000 0.999 136 F N 1.594 121.613 119.950 0.115 0.000 2.113 136 F HA -0.094 4.433 4.527 0.001 0.000 0.297 136 F C 2.313 178.084 175.800 -0.048 0.000 1.103 136 F CA 1.397 59.447 58.000 0.083 0.000 1.248 136 F CB -0.847 38.294 39.000 0.236 0.000 0.999 136 F HN -0.077 nan 8.300 nan 0.000 0.475 137 A N -0.612 122.075 122.820 -0.221 0.000 1.917 137 A HA -0.314 4.007 4.320 0.002 0.000 0.219 137 A C 2.387 179.778 177.584 -0.322 0.000 1.182 137 A CA 2.091 53.824 52.037 -0.506 0.000 0.633 137 A CB -1.505 16.727 19.000 -1.281 0.000 0.819 137 A HN 0.668 nan 8.150 nan 0.000 0.448 138 H N -0.551 118.340 119.070 -0.298 0.000 2.353 138 H HA -0.109 4.448 4.556 0.002 0.000 0.300 138 H C 1.832 177.033 175.328 -0.211 0.000 1.090 138 H CA 1.720 57.648 56.048 -0.200 0.000 1.327 138 H CB 0.066 29.754 29.762 -0.125 0.000 1.383 138 H HN 0.427 nan 8.280 nan 0.000 0.508 139 E N 0.954 120.989 120.200 -0.275 0.000 2.077 139 E HA -0.128 4.223 4.350 0.002 0.000 0.193 139 E C 2.741 179.090 176.600 -0.418 0.000 0.989 139 E CA 0.566 56.749 56.400 -0.361 0.000 0.800 139 E CB -0.355 29.133 29.700 -0.353 0.000 0.746 139 E HN 0.528 nan 8.360 nan 0.000 0.452 140 L N 0.657 121.595 121.223 -0.476 0.000 2.083 140 L HA -0.158 4.183 4.340 0.002 0.000 0.209 140 L C 2.503 179.213 176.870 -0.266 0.000 1.083 140 L CA 0.936 55.551 54.840 -0.376 0.000 0.752 140 L CB -0.373 41.477 42.059 -0.349 0.000 0.899 140 L HN 0.002 nan 8.230 nan 0.000 0.433 141 R N 1.198 121.538 120.500 -0.267 0.000 2.081 141 R HA -0.135 4.206 4.340 0.002 0.000 0.235 141 R C 2.091 178.255 176.300 -0.226 0.000 1.131 141 R CA 1.348 57.321 56.100 -0.211 0.000 0.960 141 R CB -0.684 29.505 30.300 -0.186 0.000 0.856 141 R HN 0.533 nan 8.270 nan 0.000 0.436 142 K N 0.470 120.679 120.400 -0.318 0.000 2.442 142 K HA -0.044 4.277 4.320 0.002 0.000 0.198 142 K C 1.347 177.832 176.600 -0.191 0.000 1.042 142 K CA 1.009 57.138 56.287 -0.263 0.000 0.958 142 K CB -0.035 32.272 32.500 -0.321 0.000 0.766 142 K HN 0.012 nan 8.250 nan 0.000 0.474 143 R N 0.182 120.565 120.500 -0.194 0.000 2.334 143 R HA 0.086 4.427 4.340 0.002 0.000 0.220 143 R C 0.551 176.778 176.300 -0.122 0.000 0.917 143 R CA 0.496 56.504 56.100 -0.153 0.000 1.073 143 R CB 0.466 30.665 30.300 -0.170 0.000 1.056 143 R HN 0.550 nan 8.270 nan 0.000 0.506 144 G N 0.760 109.489 108.800 -0.118 0.000 2.141 144 G HA2 -0.264 3.697 3.960 0.002 0.000 0.242 144 G HA3 -0.264 3.697 3.960 0.002 0.000 0.242 144 G C 0.052 174.906 174.900 -0.077 0.000 0.982 144 G CA 0.182 45.230 45.100 -0.086 0.000 0.662 144 G HN 0.306 nan 8.290 nan 0.000 0.527 145 V N -0.192 119.665 119.914 -0.095 0.000 2.427 145 V HA 0.613 4.734 4.120 0.002 0.000 0.268 145 V C 0.853 176.915 176.094 -0.053 0.000 1.046 145 V CA 0.149 62.405 62.300 -0.073 0.000 0.970 145 V CB 1.044 32.820 31.823 -0.079 0.000 1.001 145 V HN 0.172 nan 8.190 nan 0.000 0.476 146 N N 4.619 123.301 118.700 -0.030 0.000 2.236 146 N HA 0.135 4.876 4.740 0.002 0.000 0.196 146 N C 0.468 175.980 175.510 0.003 0.000 1.114 146 N CA 0.093 53.135 53.050 -0.014 0.000 0.859 146 N CB -0.120 38.360 38.487 -0.012 0.000 0.982 146 N HN 0.754 nan 8.380 nan 0.000 0.493 147 N N 1.417 120.121 118.700 0.007 0.000 2.305 147 N HA -0.020 4.721 4.740 0.002 0.000 0.232 147 N C 0.129 175.664 175.510 0.041 0.000 1.274 147 N CA 0.351 53.415 53.050 0.024 0.000 0.870 147 N CB 0.731 39.238 38.487 0.034 0.000 1.105 147 N HN -0.006 nan 8.380 nan 0.000 0.436 148 R N 1.127 121.654 120.500 0.044 0.000 2.484 148 R HA 0.197 4.538 4.340 0.002 0.000 0.293 148 R C -0.213 176.152 176.300 0.108 0.000 1.023 148 R CA 0.522 56.657 56.100 0.059 0.000 1.037 148 R CB 0.081 30.396 30.300 0.026 0.000 0.951 148 R HN 0.435 nan 8.270 nan 0.000 0.418 149 I N 1.686 122.354 120.570 0.162 0.000 2.447 149 I HA 0.385 4.556 4.170 0.002 0.000 0.287 149 I C 0.487 176.839 176.117 0.392 0.000 1.023 149 I CA -0.777 60.696 61.300 0.288 0.000 1.083 149 I CB 2.242 40.410 38.000 0.280 0.000 1.245 149 I HN 0.640 nan 8.210 nan 0.000 0.434 150 G N 4.666 113.701 108.800 0.391 0.000 2.432 150 G HA2 0.681 4.642 3.960 0.002 0.000 0.331 150 G HA3 0.681 4.642 3.960 0.002 0.000 0.331 150 G C -1.748 173.431 174.900 0.464 0.000 1.170 150 G CA -0.379 44.947 45.100 0.377 0.000 0.943 150 G HN 0.408 nan 8.290 nan 0.000 0.483 151 F N 1.044 121.005 119.950 0.019 0.000 2.551 151 F HA 0.777 5.305 4.527 0.001 0.000 0.316 151 F C -1.633 174.173 175.800 0.011 0.000 1.089 151 F CA -1.883 55.946 58.000 -0.286 0.000 0.915 151 F CB 2.186 40.461 39.000 -1.209 0.000 1.186 151 F HN 0.374 nan 8.300 nan 0.000 0.456 152 F N 7.343 126.730 119.950 -0.938 0.000 2.518 152 F HA 0.513 5.042 4.527 0.002 0.000 0.323 152 F C -1.888 173.380 175.800 -0.886 0.000 1.129 152 F CA -0.863 56.720 58.000 -0.694 0.000 0.920 152 F CB 1.249 40.016 39.000 -0.388 0.000 1.160 152 F HN 0.416 nan 8.300 nan 0.000 0.440 153 L N 7.235 127.696 121.223 -1.269 0.000 2.257 153 L HA 0.273 4.614 4.340 0.002 0.000 0.290 153 L C 0.597 177.217 176.870 -0.417 0.000 1.044 153 L CA -0.215 54.322 54.840 -0.505 0.000 0.810 153 L CB 0.830 42.849 42.059 -0.066 0.000 1.193 153 L HN 0.829 nan 8.230 nan 0.000 0.425 154 H N 5.424 124.549 119.070 0.092 0.000 2.548 154 H HA 0.096 4.653 4.556 0.002 0.000 0.268 154 H C 0.464 175.979 175.328 0.312 0.000 0.975 154 H CA 0.428 56.677 56.048 0.335 0.000 1.195 154 H CB 0.796 30.831 29.762 0.454 0.000 1.397 154 H HN 0.577 nan 8.280 nan 0.000 0.572 155 I N -1.722 119.083 120.570 0.391 0.000 3.133 155 I HA 0.517 4.688 4.170 0.002 0.000 0.311 155 I C -2.823 173.397 176.117 0.173 0.000 1.072 155 I CA -2.914 58.531 61.300 0.243 0.000 1.015 155 I CB 1.701 39.782 38.000 0.136 0.000 1.233 155 I HN -0.333 nan 8.210 nan 0.000 0.473 156 P HA 0.147 nan 4.420 nan 0.000 0.272 156 P C -1.382 175.999 177.300 0.135 0.000 1.230 156 P CA 0.212 63.360 63.100 0.080 0.000 0.788 156 P CB 0.259 31.949 31.700 -0.017 0.000 0.949 157 F N 3.376 123.345 119.950 0.032 0.000 2.411 157 F HA 0.436 4.964 4.527 0.002 0.000 0.352 157 F C -2.167 173.486 175.800 -0.246 0.000 1.123 157 F CA -2.528 55.365 58.000 -0.178 0.000 1.044 157 F CB 1.357 40.346 39.000 -0.019 0.000 1.135 157 F HN 0.194 nan 8.300 nan 0.000 0.461 158 P HA 0.172 nan 4.420 nan 0.000 0.281 158 P C -0.694 176.515 177.300 -0.151 0.000 1.249 158 P CA -0.322 62.525 63.100 -0.423 0.000 0.810 158 P CB 0.953 32.136 31.700 -0.862 0.000 1.008 159 T N -0.024 114.504 114.554 -0.044 0.000 2.855 159 T HA 0.057 4.408 4.350 0.002 0.000 0.322 159 T C -1.607 173.085 174.700 -0.013 0.000 1.088 159 T CA -0.928 61.181 62.100 0.016 0.000 1.104 159 T CB -1.013 67.891 68.868 0.061 0.000 0.996 159 T HN 0.274 nan 8.240 nan 0.000 0.549 160 P HA -0.162 nan 4.420 nan 0.000 0.216 160 P C 1.635 178.916 177.300 -0.032 0.000 1.157 160 P CA 1.111 64.231 63.100 0.035 0.000 0.880 160 P CB 0.006 31.708 31.700 0.003 0.000 0.791 161 E N -1.184 118.985 120.200 -0.052 0.000 2.209 161 E HA -0.159 4.192 4.350 0.002 0.000 0.196 161 E C 1.973 178.500 176.600 -0.123 0.000 0.993 161 E CA 1.015 57.367 56.400 -0.080 0.000 0.819 161 E CB -0.496 29.173 29.700 -0.051 0.000 0.745 161 E HN 0.337 nan 8.360 nan 0.000 0.477 162 I N -0.760 119.715 120.570 -0.158 0.000 2.729 162 I HA -0.119 4.052 4.170 0.002 0.000 0.256 162 I C 1.994 177.984 176.117 -0.212 0.000 1.115 162 I CA 0.177 61.334 61.300 -0.237 0.000 1.446 162 I CB -0.180 37.548 38.000 -0.453 0.000 1.176 162 I HN -0.047 nan 8.210 nan 0.000 0.446 163 F N 1.991 121.751 119.950 -0.317 0.000 2.126 163 F HA -0.250 4.278 4.527 0.002 0.000 0.299 163 F C 2.063 177.732 175.800 -0.219 0.000 1.096 163 F CA 1.619 59.457 58.000 -0.269 0.000 1.255 163 F CB -0.359 38.518 39.000 -0.204 0.000 0.997 163 F HN 0.111 nan 8.300 nan 0.000 0.479 164 N N 0.462 118.995 118.700 -0.278 0.000 2.550 164 N HA -0.026 4.715 4.740 0.002 0.000 0.186 164 N C 1.672 176.800 175.510 -0.636 0.000 1.110 164 N CA 0.873 53.509 53.050 -0.691 0.000 0.912 164 N CB -0.450 37.689 38.487 -0.581 0.000 0.968 164 N HN 0.420 nan 8.380 nan 0.000 0.448 165 A N -0.035 122.535 122.820 -0.417 0.000 2.067 165 A HA 0.061 4.382 4.320 0.002 0.000 0.217 165 A C 0.634 178.012 177.584 -0.343 0.000 1.156 165 A CA 0.022 51.862 52.037 -0.328 0.000 0.683 165 A CB -0.088 18.767 19.000 -0.242 0.000 0.808 165 A HN 0.097 nan 8.150 nan 0.000 0.455 166 L N 0.691 121.675 121.223 -0.398 0.000 2.615 166 L HA 0.129 4.470 4.340 0.002 0.000 0.271 166 L C -1.552 175.107 176.870 -0.352 0.000 1.183 166 L CA -1.305 53.310 54.840 -0.374 0.000 0.933 166 L CB 0.451 42.248 42.059 -0.436 0.000 1.199 166 L HN 0.056 nan 8.230 nan 0.000 0.487 167 P HA -0.101 nan 4.420 nan 0.000 0.222 167 P C 0.979 178.022 177.300 -0.428 0.000 1.142 167 P CA 1.114 63.847 63.100 -0.613 0.000 0.788 167 P CB 0.341 31.241 31.700 -1.332 0.000 0.767 168 T N -2.856 111.439 114.554 -0.432 0.000 3.170 168 T HA 0.103 4.454 4.350 0.002 0.000 0.288 168 T C 1.070 175.575 174.700 -0.324 0.000 0.992 168 T CA -0.472 61.304 62.100 -0.541 0.000 0.909 168 T CB -0.415 67.822 68.868 -1.052 0.000 1.133 168 T HN 0.091 nan 8.240 nan 0.000 0.530 169 Y N 0.694 120.794 120.300 -0.333 0.000 2.114 169 Y HA -0.165 4.386 4.550 0.001 0.000 0.282 169 Y C 1.856 177.822 175.900 0.109 0.000 1.165 169 Y CA 1.579 59.504 58.100 -0.291 0.000 1.148 169 Y CB -0.716 37.422 38.460 -0.536 0.000 0.972 169 Y HN 0.089 nan 8.280 nan 0.000 0.504 170 D N 0.709 120.363 120.400 -1.244 0.000 2.723 170 D HA -0.280 4.361 4.640 0.002 0.000 0.208 170 D C 2.037 178.185 176.300 -0.254 0.000 1.050 170 D CA 3.067 56.564 54.000 -0.839 0.000 0.893 170 D CB -0.760 39.633 40.800 -0.679 0.000 1.062 170 D HN 0.529 nan 8.370 nan 0.000 0.478 171 T N -0.019 114.445 114.554 -0.151 0.000 2.821 171 T HA -0.086 4.265 4.350 0.002 0.000 0.267 171 T C 1.792 176.572 174.700 0.132 0.000 1.046 171 T CA 0.399 62.498 62.100 -0.001 0.000 1.139 171 T CB -0.168 68.805 68.868 0.174 0.000 0.871 171 T HN 0.024 nan 8.240 nan 0.000 0.454 172 L N 0.693 122.071 121.223 0.258 0.000 2.046 172 L HA 0.006 4.347 4.340 0.002 0.000 0.208 172 L C 2.193 179.326 176.870 0.438 0.000 1.077 172 L CA 1.350 56.462 54.840 0.452 0.000 0.747 172 L CB -1.228 41.208 42.059 0.629 0.000 0.896 172 L HN 0.222 nan 8.230 nan 0.000 0.432 173 L N -0.772 120.707 121.223 0.427 0.000 2.072 173 L HA -0.144 4.197 4.340 0.002 0.000 0.205 173 L C 2.505 179.572 176.870 0.328 0.000 1.079 173 L CA 1.348 56.452 54.840 0.440 0.000 0.752 173 L CB -0.880 41.445 42.059 0.443 0.000 0.906 173 L HN 0.288 nan 8.230 nan 0.000 0.436 174 E N -0.912 119.338 120.200 0.083 0.000 2.070 174 E HA -0.282 4.069 4.350 0.002 0.000 0.197 174 E C 2.205 178.755 176.600 -0.084 0.000 1.004 174 E CA 1.732 57.956 56.400 -0.294 0.000 0.805 174 E CB -0.026 29.349 29.700 -0.541 0.000 0.744 174 E HN 0.543 nan 8.360 nan 0.000 0.451 175 Q N -0.293 119.490 119.800 -0.029 0.000 2.187 175 Q HA -0.036 4.305 4.340 0.002 0.000 0.199 175 Q C 2.289 178.343 176.000 0.089 0.000 0.957 175 Q CA 0.499 56.287 55.803 -0.025 0.000 0.857 175 Q CB 0.084 28.806 28.738 -0.026 0.000 0.929 175 Q HN 0.298 nan 8.270 nan 0.000 0.453 176 L N -0.127 121.212 121.223 0.194 0.000 2.127 176 L HA -0.232 4.109 4.340 0.002 0.000 0.211 176 L C 1.989 178.938 176.870 0.130 0.000 1.089 176 L CA 0.664 55.641 54.840 0.230 0.000 0.757 176 L CB -0.289 41.929 42.059 0.264 0.000 0.899 176 L HN 0.343 nan 8.230 nan 0.000 0.434 177 C N -0.311 119.013 119.300 0.040 0.000 2.539 177 C HA -0.049 4.412 4.460 0.002 0.000 0.271 177 C C 1.836 176.861 174.990 0.057 0.000 1.412 177 C CA -0.079 58.852 59.018 -0.144 0.000 1.729 177 C CB -1.227 26.549 27.740 0.059 0.000 1.739 177 C HN 0.463 nan 8.230 nan 0.000 0.570 178 D N -0.817 119.608 120.400 0.042 0.000 2.354 178 D HA 0.057 4.698 4.640 0.002 0.000 0.209 178 D C 0.234 176.508 176.300 -0.043 0.000 1.015 178 D CA 0.414 54.417 54.000 0.006 0.000 0.867 178 D CB 0.089 40.861 40.800 -0.045 0.000 0.933 178 D HN 0.449 nan 8.370 nan 0.000 0.520 179 Y N 1.582 121.935 120.300 0.088 0.000 2.346 179 Y HA 0.013 4.563 4.550 0.001 0.000 0.330 179 Y C 1.706 177.714 175.900 0.181 0.000 1.178 179 Y CA -0.090 58.089 58.100 0.132 0.000 1.331 179 Y CB 0.814 39.352 38.460 0.131 0.000 1.253 179 Y HN -0.187 nan 8.280 nan 0.000 0.529 180 D N 1.204 121.807 120.400 0.338 0.000 2.162 180 D HA -0.040 4.601 4.640 0.002 0.000 0.203 180 D C -0.241 176.218 176.300 0.266 0.000 0.967 180 D CA 1.241 55.398 54.000 0.262 0.000 0.840 180 D CB 0.365 41.258 40.800 0.156 0.000 0.972 180 D HN 0.218 nan 8.370 nan 0.000 0.482 181 L N 1.017 122.384 121.223 0.240 0.000 2.436 181 L HA 0.312 4.653 4.340 0.002 0.000 0.268 181 L C -1.838 175.140 176.870 0.180 0.000 0.974 181 L CA -0.592 54.333 54.840 0.142 0.000 0.826 181 L CB 2.094 44.072 42.059 -0.136 0.000 1.291 181 L HN -0.296 nan 8.230 nan 0.000 0.406 182 L N 4.713 126.057 121.223 0.202 0.000 2.325 182 L HA 0.728 5.069 4.340 0.002 0.000 0.281 182 L C 0.435 177.325 176.870 0.033 0.000 1.004 182 L CA -0.258 54.605 54.840 0.038 0.000 0.823 182 L CB 0.997 43.017 42.059 -0.065 0.000 1.236 182 L HN 0.793 nan 8.230 nan 0.000 0.415 183 G N 2.738 111.520 108.800 -0.030 0.000 2.388 183 G HA2 0.698 4.659 3.960 0.002 0.000 0.330 183 G HA3 0.698 4.659 3.960 0.002 0.000 0.330 183 G C -1.270 173.328 174.900 -0.503 0.000 1.142 183 G CA -0.168 45.106 45.100 0.291 0.000 0.908 183 G HN 0.284 nan 8.290 nan 0.000 0.473 184 F N -0.884 119.167 119.950 0.168 0.000 2.603 184 F HA 0.404 4.932 4.527 0.001 0.000 0.317 184 F C 1.243 177.121 175.800 0.130 0.000 1.066 184 F CA -0.786 57.173 58.000 -0.068 0.000 0.941 184 F CB 2.659 41.676 39.000 0.029 0.000 1.291 184 F HN 0.458 nan 8.300 nan 0.000 0.472 185 Q N -0.202 119.762 119.800 0.273 0.000 2.187 185 Q HA 0.048 4.388 4.340 0.002 0.000 0.199 185 Q C 0.161 176.358 176.000 0.328 0.000 0.957 185 Q CA 1.193 57.233 55.803 0.394 0.000 0.857 185 Q CB 0.350 29.288 28.738 0.334 0.000 0.929 185 Q HN 0.766 nan 8.270 nan 0.000 0.453 186 T N -4.168 110.544 114.554 0.263 0.000 2.896 186 T HA 0.273 4.624 4.350 0.002 0.000 0.297 186 T C 0.390 175.169 174.700 0.133 0.000 1.108 186 T CA -0.745 61.464 62.100 0.182 0.000 1.004 186 T CB 1.606 70.560 68.868 0.144 0.000 1.159 186 T HN -0.051 nan 8.240 nan 0.000 0.499 187 E N 1.289 121.541 120.200 0.088 0.000 2.097 187 E HA -0.212 4.139 4.350 0.002 0.000 0.196 187 E C 1.653 178.250 176.600 -0.004 0.000 1.000 187 E CA 2.016 58.438 56.400 0.036 0.000 0.804 187 E CB -0.367 29.351 29.700 0.029 0.000 0.740 187 E HN 0.614 nan 8.360 nan 0.000 0.454 188 N N 0.987 119.699 118.700 0.022 0.000 2.104 188 N HA -0.151 4.590 4.740 0.002 0.000 0.190 188 N C 1.215 176.715 175.510 -0.016 0.000 1.024 188 N CA 1.484 54.541 53.050 0.011 0.000 0.853 188 N CB -0.426 38.089 38.487 0.046 0.000 1.008 188 N HN 0.328 nan 8.380 nan 0.000 0.424 189 D N 0.444 120.851 120.400 0.011 0.000 2.104 189 D HA -0.152 4.489 4.640 0.002 0.000 0.194 189 D C 2.001 178.013 176.300 -0.480 0.000 0.994 189 D CA 0.744 54.737 54.000 -0.012 0.000 0.830 189 D CB -0.150 40.777 40.800 0.213 0.000 0.959 189 D HN 0.300 nan 8.370 nan 0.000 0.452 190 R N 0.158 120.279 120.500 -0.631 0.000 2.082 190 R HA -0.152 4.189 4.340 0.002 0.000 0.234 190 R C 2.288 178.272 176.300 -0.526 0.000 1.136 190 R CA 0.948 56.458 56.100 -0.982 0.000 0.935 190 R CB -0.302 29.776 30.300 -0.372 0.000 0.842 190 R HN 0.047 nan 8.270 nan 0.000 0.430 191 L N 0.674 121.735 121.223 -0.270 0.000 2.042 191 L HA -0.143 4.198 4.340 0.002 0.000 0.210 191 L C 2.497 179.245 176.870 -0.203 0.000 1.076 191 L CA 2.065 56.797 54.840 -0.179 0.000 0.749 191 L CB -1.218 40.783 42.059 -0.097 0.000 0.893 191 L HN 0.321 nan 8.230 nan 0.000 0.432 192 A N -0.982 121.728 122.820 -0.183 0.000 1.883 192 A HA -0.294 4.027 4.320 0.002 0.000 0.217 192 A C 2.301 179.716 177.584 -0.282 0.000 1.186 192 A CA 1.795 53.761 52.037 -0.118 0.000 0.624 192 A CB -1.083 17.950 19.000 0.055 0.000 0.822 192 A HN 0.414 nan 8.150 nan 0.000 0.444 193 F N 0.240 119.680 119.950 -0.849 0.000 2.120 193 F HA -0.196 4.332 4.527 0.001 0.000 0.300 193 F C 1.744 177.180 175.800 -0.607 0.000 1.095 193 F CA 1.725 58.957 58.000 -1.279 0.000 1.249 193 F CB -0.289 37.839 39.000 -1.453 0.000 0.995 193 F HN 0.145 nan 8.300 nan 0.000 0.480 194 L N 0.603 121.470 121.223 -0.594 0.000 2.141 194 L HA -0.184 4.157 4.340 0.002 0.000 0.209 194 L C 2.261 178.884 176.870 -0.410 0.000 1.094 194 L CA 1.582 56.100 54.840 -0.536 0.000 0.763 194 L CB -1.404 40.473 42.059 -0.303 0.000 0.908 194 L HN 0.253 nan 8.230 nan 0.000 0.437 195 D N -1.144 119.072 120.400 -0.307 0.000 2.084 195 D HA -0.190 4.451 4.640 0.002 0.000 0.194 195 D C 2.214 178.405 176.300 -0.182 0.000 0.990 195 D CA 1.644 55.527 54.000 -0.196 0.000 0.826 195 D CB 0.299 41.021 40.800 -0.129 0.000 0.971 195 D HN 0.351 nan 8.370 nan 0.000 0.453 196 C N 0.571 119.748 119.300 -0.206 0.000 2.398 196 C HA -0.177 4.284 4.460 0.002 0.000 0.276 196 C C 2.736 177.657 174.990 -0.116 0.000 1.222 196 C CA 0.179 59.144 59.018 -0.089 0.000 1.746 196 C CB -1.130 26.543 27.740 -0.112 0.000 2.039 196 C HN 0.377 nan 8.230 nan 0.000 0.470 197 L N 1.244 122.245 121.223 -0.370 0.000 2.012 197 L HA -0.139 4.202 4.340 0.002 0.000 0.210 197 L C 2.603 179.333 176.870 -0.233 0.000 1.073 197 L CA 2.108 56.745 54.840 -0.340 0.000 0.748 197 L CB -0.818 40.883 42.059 -0.596 0.000 0.891 197 L HN 0.260 nan 8.230 nan 0.000 0.431 198 S N -0.239 115.324 115.700 -0.228 0.000 2.419 198 S HA -0.156 4.315 4.470 0.002 0.000 0.235 198 S C 1.732 176.273 174.600 -0.099 0.000 1.019 198 S CA 1.160 59.262 58.200 -0.164 0.000 0.982 198 S CB -0.511 62.603 63.200 -0.143 0.000 0.789 198 S HN 0.503 nan 8.310 nan 0.000 0.490 199 N N 1.128 119.795 118.700 -0.055 0.000 2.331 199 N HA 0.104 4.845 4.740 0.002 0.000 0.180 199 N C 1.482 177.020 175.510 0.046 0.000 1.019 199 N CA 0.548 53.599 53.050 0.002 0.000 0.881 199 N CB -0.199 38.307 38.487 0.031 0.000 0.972 199 N HN 0.350 nan 8.380 nan 0.000 0.435 200 L N -1.098 120.161 121.223 0.061 0.000 2.200 200 L HA 0.072 4.413 4.340 0.002 0.000 0.200 200 L C 0.664 177.546 176.870 0.020 0.000 1.072 200 L CA 0.861 55.774 54.840 0.120 0.000 0.787 200 L CB 0.222 42.413 42.059 0.219 0.000 0.957 200 L HN 0.070 nan 8.230 nan 0.000 0.459 201 T N -0.922 113.534 114.554 -0.162 0.000 2.841 201 T HA 0.351 4.702 4.350 0.002 0.000 0.296 201 T C -0.968 173.547 174.700 -0.310 0.000 1.166 201 T CA -0.800 61.106 62.100 -0.323 0.000 1.007 201 T CB 1.359 69.704 68.868 -0.871 0.000 1.253 201 T HN 0.020 nan 8.240 nan 0.000 0.511 202 R N 1.823 122.156 120.500 -0.278 0.000 2.316 202 R HA 0.408 4.749 4.340 0.002 0.000 0.314 202 R C -0.076 176.087 176.300 -0.229 0.000 1.069 202 R CA -0.364 55.617 56.100 -0.199 0.000 0.959 202 R CB 0.429 30.648 30.300 -0.135 0.000 0.987 202 R HN 0.462 nan 8.270 nan 0.000 0.446 203 V N 0.609 120.419 119.914 -0.175 0.000 2.384 203 V HA 0.369 4.490 4.120 0.002 0.000 0.287 203 V C -0.106 175.942 176.094 -0.077 0.000 1.020 203 V CA -0.556 61.664 62.300 -0.133 0.000 0.850 203 V CB 1.794 33.534 31.823 -0.137 0.000 0.987 203 V HN 0.682 nan 8.190 nan 0.000 0.436 204 T N 4.559 119.077 114.554 -0.059 0.000 2.817 204 T HA 0.483 4.834 4.350 0.002 0.000 0.293 204 T C 0.201 174.885 174.700 -0.027 0.000 0.964 204 T CA -0.040 62.034 62.100 -0.043 0.000 1.085 204 T CB 0.952 69.793 68.868 -0.045 0.000 0.921 204 T HN 0.893 nan 8.240 nan 0.000 0.502 205 T N 2.951 117.493 114.554 -0.020 0.000 3.009 205 T HA 0.249 4.600 4.350 0.002 0.000 0.346 205 T C 1.202 175.861 174.700 -0.068 0.000 1.092 205 T CA -0.849 61.232 62.100 -0.031 0.000 1.080 205 T CB 0.621 69.527 68.868 0.064 0.000 1.037 205 T HN 0.672 nan 8.240 nan 0.000 0.487 206 R N 0.921 121.363 120.500 -0.096 0.000 2.300 206 R HA 0.451 4.792 4.340 0.002 0.000 0.199 206 R C 0.714 176.964 176.300 -0.084 0.000 0.920 206 R CA -0.195 55.859 56.100 -0.076 0.000 1.046 206 R CB 0.387 30.647 30.300 -0.067 0.000 0.984 206 R HN 0.304 nan 8.270 nan 0.000 0.493 210 S N 0.972 116.152 115.700 -0.866 0.000 2.614 210 S HA 0.520 4.991 4.470 0.002 0.000 0.288 210 S C -1.220 172.882 174.600 -0.830 0.000 1.137 210 S CA -0.531 57.245 58.200 -0.706 0.000 0.992 210 S CB 0.690 63.696 63.200 -0.323 0.000 1.026 210 S HN 0.297 nan 8.310 nan 0.000 0.486 211 H N 1.649 120.494 119.070 -0.375 0.000 2.946 211 H HA 0.571 5.129 4.556 0.002 0.000 0.365 211 H C -0.854 174.197 175.328 -0.461 0.000 1.197 211 H CA -0.674 55.073 56.048 -0.501 0.000 1.131 211 H CB 1.888 31.143 29.762 -0.845 0.000 1.849 211 H HN 0.495 nan 8.280 nan 0.000 0.555 212 T N 0.935 115.396 114.554 -0.155 0.000 2.921 212 T HA 0.643 4.994 4.350 0.002 0.000 0.297 212 T C -1.036 173.688 174.700 0.040 0.000 1.013 212 T CA -0.583 61.499 62.100 -0.030 0.000 0.990 212 T CB 1.323 70.183 68.868 -0.014 0.000 1.023 212 T HN 0.752 nan 8.240 nan 0.000 0.447 213 A N 2.794 125.737 122.820 0.205 0.000 2.427 213 A HA 0.640 4.961 4.320 0.002 0.000 0.298 213 A C -0.415 177.306 177.584 0.228 0.000 1.036 213 A CA -0.617 51.447 52.037 0.046 0.000 0.701 213 A CB 0.752 19.762 19.000 0.018 0.000 1.250 213 A HN 0.956 nan 8.150 nan 0.000 0.412 214 W N 1.811 123.178 121.300 0.111 0.000 5.538 214 W HA -0.248 4.412 4.660 0.001 0.000 0.377 214 W C 1.273 177.845 176.519 0.089 0.000 1.406 214 W CA 1.736 59.132 57.345 0.086 0.000 0.940 214 W CB -1.724 27.785 29.460 0.082 0.000 2.536 214 W HN 2.369 nan 8.180 nan 0.000 1.504 215 G N -0.352 108.586 108.800 0.231 0.000 2.175 215 G HA2 -0.358 3.602 3.960 0.002 0.000 0.265 215 G HA3 -0.358 3.602 3.960 0.002 0.000 0.265 215 G C 0.475 175.494 174.900 0.200 0.000 0.979 215 G CA 0.971 46.176 45.100 0.176 0.000 0.663 215 G HN 0.320 nan 8.290 nan 0.000 0.533 216 K N 0.598 121.170 120.400 0.288 0.000 2.211 216 K HA 0.678 4.999 4.320 0.002 0.000 0.275 216 K C 0.446 177.256 176.600 0.349 0.000 1.024 216 K CA 0.103 56.578 56.287 0.313 0.000 0.887 216 K CB 1.743 34.473 32.500 0.384 0.000 1.084 216 K HN 0.418 nan 8.250 nan 0.000 0.463 217 A N 3.655 126.629 122.820 0.256 0.000 2.331 217 A HA 0.708 5.029 4.320 0.002 0.000 0.283 217 A C -0.606 177.173 177.584 0.325 0.000 1.142 217 A CA -0.392 51.752 52.037 0.179 0.000 0.812 217 A CB -0.222 18.830 19.000 0.087 0.000 1.074 217 A HN 0.713 nan 8.150 nan 0.000 0.497 218 F N -0.516 119.541 119.950 0.178 0.000 2.719 218 F HA 0.779 5.307 4.527 0.002 0.000 0.309 218 F C -0.874 175.066 175.800 0.233 0.000 1.138 218 F CA -1.111 57.015 58.000 0.210 0.000 0.943 218 F CB 1.264 40.432 39.000 0.279 0.000 1.304 218 F HN 0.526 nan 8.300 nan 0.000 0.445 219 R N 0.659 121.360 120.500 0.334 0.000 2.664 219 R HA 0.790 5.131 4.340 0.002 0.000 0.286 219 R C -0.946 175.609 176.300 0.424 0.000 0.967 219 R CA -0.593 55.638 56.100 0.218 0.000 0.933 219 R CB 2.255 32.599 30.300 0.073 0.000 1.146 219 R HN 0.967 nan 8.270 nan 0.000 0.468 220 T N -1.050 113.765 114.554 0.434 0.000 2.908 220 T HA 0.721 5.072 4.350 0.002 0.000 0.290 220 T C -0.711 174.169 174.700 0.300 0.000 1.034 220 T CA -0.813 61.575 62.100 0.480 0.000 1.010 220 T CB 2.127 71.345 68.868 0.584 0.000 1.068 220 T HN 0.490 nan 8.240 nan 0.000 0.481 221 E N 0.370 120.759 120.200 0.315 0.000 2.409 221 E HA 0.541 4.892 4.350 0.002 0.000 0.280 221 E C -2.087 174.539 176.600 0.044 0.000 1.079 221 E CA -0.777 55.656 56.400 0.056 0.000 0.840 221 E CB 1.811 31.420 29.700 -0.153 0.000 1.309 221 E HN 0.626 nan 8.360 nan 0.000 0.447 222 V N 3.128 122.917 119.914 -0.208 0.000 2.417 222 V HA 0.519 4.640 4.120 0.002 0.000 0.291 222 V C -1.085 174.893 176.094 -0.193 0.000 1.024 222 V CA -0.438 61.862 62.300 0.001 0.000 0.861 222 V CB 1.006 32.877 31.823 0.079 0.000 0.985 222 V HN 0.609 nan 8.190 nan 0.000 0.436 223 Y N 5.858 126.461 120.300 0.505 0.000 2.609 223 Y HA 0.371 4.922 4.550 0.001 0.000 0.350 223 Y C -2.445 173.872 175.900 0.696 0.000 1.050 223 Y CA -2.702 55.712 58.100 0.523 0.000 1.290 223 Y CB 1.481 40.170 38.460 0.383 0.000 1.094 223 Y HN 0.462 nan 8.280 nan 0.000 0.583 224 P HA 0.040 nan 4.420 nan 0.000 0.266 224 P C 0.273 177.749 177.300 0.293 0.000 1.215 224 P CA 0.307 63.668 63.100 0.435 0.000 0.763 224 P CB 1.379 33.249 31.700 0.283 0.000 0.806 225 I N 2.616 123.188 120.570 0.005 0.000 2.696 225 I HA 0.353 4.524 4.170 0.002 0.000 0.284 225 I C 0.879 176.823 176.117 -0.288 0.000 1.129 225 I CA 0.625 61.525 61.300 -0.666 0.000 1.410 225 I CB 0.628 38.110 38.000 -0.863 0.000 1.399 225 I HN 0.457 nan 8.210 nan 0.000 0.579 226 G N 6.331 114.947 108.800 -0.308 0.000 3.243 226 G HA2 0.622 4.582 3.960 0.002 0.000 0.248 226 G HA3 0.622 4.582 3.960 0.002 0.000 0.248 226 G C -1.522 173.325 174.900 -0.089 0.000 1.267 226 G CA -0.442 44.602 45.100 -0.094 0.000 0.906 226 G HN 0.436 nan 8.290 nan 0.000 0.592 227 I N -0.869 119.692 120.570 -0.014 0.000 3.174 227 I HA 0.404 4.575 4.170 0.002 0.000 0.313 227 I C -0.844 175.292 176.117 0.031 0.000 1.155 227 I CA -1.555 59.750 61.300 0.008 0.000 0.977 227 I CB 2.325 40.342 38.000 0.028 0.000 1.248 227 I HN 0.539 nan 8.210 nan 0.000 0.453 228 E N 4.667 124.890 120.200 0.038 0.000 1.986 228 E HA 0.251 4.602 4.350 0.002 0.000 0.264 228 E C -1.871 174.754 176.600 0.042 0.000 1.023 228 E CA -1.352 55.075 56.400 0.045 0.000 0.834 228 E CB 0.708 30.436 29.700 0.047 0.000 1.111 228 E HN 0.294 nan 8.360 nan 0.000 0.417 229 P HA -0.143 nan 4.420 nan 0.000 0.219 229 P C 0.978 178.295 177.300 0.028 0.000 1.150 229 P CA 0.821 63.939 63.100 0.030 0.000 0.814 229 P CB 0.413 32.125 31.700 0.020 0.000 0.787 230 K N 0.076 120.493 120.400 0.029 0.000 2.001 230 K HA -0.145 4.176 4.320 0.002 0.000 0.208 230 K C 2.141 178.757 176.600 0.026 0.000 1.048 230 K CA 1.440 57.742 56.287 0.026 0.000 0.932 230 K CB -1.066 31.451 32.500 0.027 0.000 0.715 230 K HN 0.059 nan 8.250 nan 0.000 0.437 231 E N 0.678 120.898 120.200 0.032 0.000 2.110 231 E HA -0.107 4.244 4.350 0.002 0.000 0.193 231 E C 1.723 178.342 176.600 0.031 0.000 0.988 231 E CA 1.243 57.663 56.400 0.033 0.000 0.804 231 E CB -0.115 29.609 29.700 0.040 0.000 0.745 231 E HN 0.396 nan 8.360 nan 0.000 0.458 232 I N -1.721 118.871 120.570 0.037 0.000 2.353 232 I HA -0.091 4.080 4.170 0.002 0.000 0.248 232 I C 2.312 178.441 176.117 0.020 0.000 1.119 232 I CA 1.096 62.419 61.300 0.039 0.000 1.417 232 I CB -1.035 37.005 38.000 0.066 0.000 1.078 232 I HN 0.050 nan 8.210 nan 0.000 0.421 233 A N 2.630 125.459 122.820 0.014 0.000 1.869 233 A HA -0.246 4.075 4.320 0.002 0.000 0.218 233 A C 2.452 180.032 177.584 -0.006 0.000 1.203 233 A CA 2.368 54.404 52.037 -0.002 0.000 0.638 233 A CB -0.716 18.287 19.000 0.005 0.000 0.831 233 A HN 0.455 nan 8.150 nan 0.000 0.450 234 K N -0.247 120.156 120.400 0.005 0.000 2.001 234 K HA -0.255 4.066 4.320 0.002 0.000 0.214 234 K C 2.392 178.994 176.600 0.003 0.000 1.050 234 K CA 1.880 58.170 56.287 0.006 0.000 0.934 234 K CB -0.441 32.067 32.500 0.013 0.000 0.718 234 K HN 0.889 nan 8.250 nan 0.000 0.443 235 Q N 0.377 120.181 119.800 0.007 0.000 2.167 235 Q HA -0.038 4.302 4.340 0.002 0.000 0.202 235 Q C 2.058 178.052 176.000 -0.009 0.000 0.970 235 Q CA 1.308 57.112 55.803 0.003 0.000 0.855 235 Q CB -0.312 28.431 28.738 0.008 0.000 0.911 235 Q HN 0.248 nan 8.270 nan 0.000 0.438 236 A N 1.454 124.261 122.820 -0.022 0.000 2.019 236 A HA 0.104 4.425 4.320 0.002 0.000 0.219 236 A C 2.225 179.771 177.584 -0.063 0.000 1.164 236 A CA 1.376 53.378 52.037 -0.058 0.000 0.644 236 A CB -0.460 18.491 19.000 -0.082 0.000 0.805 236 A HN 0.510 nan 8.150 nan 0.000 0.449 237 A N -0.497 122.303 122.820 -0.033 0.000 2.275 237 A HA 0.483 4.804 4.320 0.002 0.000 0.212 237 A C 1.361 178.961 177.584 0.026 0.000 1.201 237 A CA 0.586 52.616 52.037 -0.010 0.000 0.843 237 A CB -0.712 18.279 19.000 -0.015 0.000 0.873 237 A HN 0.653 nan 8.150 nan 0.000 0.492 238 G N 0.593 109.406 108.800 0.022 0.000 2.569 238 G HA2 0.444 4.405 3.960 0.002 0.000 0.249 238 G HA3 0.444 4.405 3.960 0.002 0.000 0.249 238 G C -2.642 172.282 174.900 0.041 0.000 1.216 238 G CA -0.904 44.210 45.100 0.024 0.000 0.845 238 G HN 0.164 nan 8.290 nan 0.000 0.568 239 P HA 0.145 nan 4.420 nan 0.000 0.269 239 P C -0.056 177.252 177.300 0.013 0.000 1.215 239 P CA -0.231 62.880 63.100 0.019 0.000 0.780 239 P CB 0.642 32.343 31.700 0.001 0.000 0.898 240 L N 4.328 125.549 121.223 -0.005 0.000 2.395 240 L HA 0.304 4.645 4.340 0.002 0.000 0.269 240 L C -1.707 175.144 176.870 -0.031 0.000 1.133 240 L CA -1.908 52.919 54.840 -0.021 0.000 0.812 240 L CB -0.039 41.974 42.059 -0.077 0.000 1.125 240 L HN 0.302 nan 8.230 nan 0.000 0.452 241 P HA 0.013 nan 4.420 nan 0.000 0.266 241 P C -2.200 175.080 177.300 -0.033 0.000 1.193 241 P CA -0.988 62.095 63.100 -0.028 0.000 0.770 241 P CB -0.057 31.630 31.700 -0.022 0.000 0.836 242 P HA -0.171 nan 4.420 nan 0.000 0.215 242 P C 1.532 178.812 177.300 -0.032 0.000 1.153 242 P CA 1.693 64.773 63.100 -0.032 0.000 0.853 242 P CB 0.022 31.706 31.700 -0.026 0.000 0.788 243 K N -0.786 119.600 120.400 -0.024 0.000 2.103 243 K HA -0.141 4.180 4.320 0.002 0.000 0.207 243 K C 1.684 178.269 176.600 -0.025 0.000 1.048 243 K CA 1.196 57.473 56.287 -0.017 0.000 0.930 243 K CB -0.440 32.057 32.500 -0.006 0.000 0.716 243 K HN -0.009 nan 8.250 nan 0.000 0.444 244 L N 0.107 121.309 121.223 -0.034 0.000 2.270 244 L HA 0.084 4.425 4.340 0.002 0.000 0.210 244 L C 2.163 178.974 176.870 -0.097 0.000 1.104 244 L CA 1.276 56.084 54.840 -0.054 0.000 0.804 244 L CB -0.726 41.306 42.059 -0.046 0.000 0.937 244 L HN 0.138 nan 8.230 nan 0.000 0.450 245 A N -1.148 121.615 122.820 -0.094 0.000 1.933 245 A HA -0.267 4.054 4.320 0.002 0.000 0.218 245 A C 2.272 179.795 177.584 -0.100 0.000 1.175 245 A CA 1.680 53.645 52.037 -0.119 0.000 0.628 245 A CB -0.426 18.521 19.000 -0.089 0.000 0.814 245 A HN 0.474 nan 8.150 nan 0.000 0.444 246 Q N -0.847 118.913 119.800 -0.067 0.000 2.002 246 Q HA -0.196 4.145 4.340 0.002 0.000 0.204 246 Q C 2.140 178.108 176.000 -0.054 0.000 0.988 246 Q CA 1.784 57.557 55.803 -0.049 0.000 0.843 246 Q CB -0.342 28.378 28.738 -0.030 0.000 0.908 246 Q HN 0.688 nan 8.270 nan 0.000 0.420 247 L N 1.057 122.248 121.223 -0.053 0.000 2.043 247 L HA -0.215 4.126 4.340 0.002 0.000 0.212 247 L C 1.966 178.792 176.870 -0.073 0.000 1.075 247 L CA 2.088 56.897 54.840 -0.052 0.000 0.752 247 L CB -1.191 40.838 42.059 -0.049 0.000 0.891 247 L HN 0.153 nan 8.230 nan 0.000 0.432 248 K N -0.101 120.230 120.400 -0.115 0.000 2.032 248 K HA -0.167 4.154 4.320 0.002 0.000 0.209 248 K C 2.050 178.587 176.600 -0.105 0.000 1.048 248 K CA 1.719 57.917 56.287 -0.148 0.000 0.927 248 K CB -0.285 32.043 32.500 -0.287 0.000 0.712 248 K HN 0.515 nan 8.250 nan 0.000 0.441 249 A N 1.330 124.093 122.820 -0.094 0.000 1.908 249 A HA -0.214 4.107 4.320 0.002 0.000 0.218 249 A C 1.810 179.373 177.584 -0.034 0.000 1.181 249 A CA 1.919 53.920 52.037 -0.060 0.000 0.627 249 A CB -0.461 18.507 19.000 -0.053 0.000 0.818 249 A HN 0.523 nan 8.150 nan 0.000 0.445 250 E N -1.039 119.144 120.200 -0.027 0.000 2.216 250 E HA -0.000 4.351 4.350 0.002 0.000 0.192 250 E C 0.405 177.008 176.600 0.004 0.000 0.988 250 E CA 0.215 56.611 56.400 -0.006 0.000 0.834 250 E CB 0.049 29.751 29.700 0.003 0.000 0.772 250 E HN 0.326 nan 8.360 nan 0.000 0.479 251 L N 1.423 122.641 121.223 -0.008 0.000 2.791 251 L HA 0.070 4.411 4.340 0.002 0.000 0.239 251 L C 1.599 178.474 176.870 0.008 0.000 1.203 251 L CA 0.647 55.490 54.840 0.006 0.000 1.002 251 L CB -0.332 41.720 42.059 -0.012 0.000 1.295 251 L HN 0.092 nan 8.230 nan 0.000 0.504 252 K N -1.184 119.216 120.400 0.001 0.000 2.211 252 K HA -0.132 4.189 4.320 0.002 0.000 0.204 252 K C 0.734 177.343 176.600 0.015 0.000 1.047 252 K CA 1.336 57.624 56.287 0.002 0.000 0.935 252 K CB 0.129 32.627 32.500 -0.004 0.000 0.728 252 K HN 0.193 nan 8.250 nan 0.000 0.452 253 N N 0.857 119.569 118.700 0.021 0.000 2.235 253 N HA 0.128 4.869 4.740 0.002 0.000 0.231 253 N C -1.238 174.293 175.510 0.035 0.000 1.177 253 N CA -0.071 52.993 53.050 0.024 0.000 0.874 253 N CB 1.449 39.946 38.487 0.016 0.000 1.097 253 N HN -0.060 nan 8.380 nan 0.000 0.518 254 V N 1.438 121.380 119.914 0.048 0.000 2.459 254 V HA 0.283 4.404 4.120 0.002 0.000 0.295 254 V C 0.220 176.358 176.094 0.074 0.000 1.029 254 V CA -0.715 61.631 62.300 0.075 0.000 0.874 254 V CB 2.309 34.195 31.823 0.104 0.000 0.985 254 V HN 0.031 nan 8.190 nan 0.000 0.438 255 Q N 3.126 122.977 119.800 0.085 0.000 2.259 255 Q HA 0.371 4.712 4.340 0.002 0.000 0.249 255 Q C -0.551 175.503 176.000 0.091 0.000 0.914 255 Q CA -0.375 55.472 55.803 0.074 0.000 0.904 255 Q CB 1.094 29.863 28.738 0.051 0.000 1.213 255 Q HN 0.622 nan 8.270 nan 0.000 0.428 256 N N 2.720 121.472 118.700 0.086 0.000 2.424 256 N HA 0.365 5.106 4.740 0.002 0.000 0.271 256 N C -0.975 174.610 175.510 0.125 0.000 0.985 256 N CA -0.215 52.898 53.050 0.106 0.000 0.921 256 N CB 1.240 39.784 38.487 0.096 0.000 1.149 256 N HN 0.421 nan 8.380 nan 0.000 0.492 257 I N 2.344 122.987 120.570 0.121 0.000 2.353 257 I HA 0.374 4.545 4.170 0.002 0.000 0.293 257 I C -0.522 175.742 176.117 0.244 0.000 0.992 257 I CA -0.618 60.735 61.300 0.088 0.000 1.268 257 I CB 0.779 38.738 38.000 -0.069 0.000 1.387 257 I HN 0.325 nan 8.210 nan 0.000 0.478 258 F N 4.756 124.736 119.950 0.049 0.000 2.569 258 F HA 0.641 5.169 4.527 0.002 0.000 0.312 258 F C -0.629 175.237 175.800 0.110 0.000 1.109 258 F CA -0.158 57.913 58.000 0.117 0.000 0.919 258 F CB 1.923 41.014 39.000 0.152 0.000 1.211 258 F HN 0.341 nan 8.300 nan 0.000 0.446 259 S N 3.614 118.938 115.700 -0.627 0.000 2.540 259 S HA 0.784 5.255 4.470 0.002 0.000 0.275 259 S C -1.746 172.520 174.600 -0.556 0.000 1.123 259 S CA -0.729 57.267 58.200 -0.341 0.000 0.907 259 S CB 2.035 65.230 63.200 -0.009 0.000 1.081 259 S HN 0.685 nan 8.310 nan 0.000 0.476 260 V N 3.760 123.572 119.914 -0.169 0.000 2.851 260 V HA 0.858 4.979 4.120 0.002 0.000 0.307 260 V C -1.926 174.206 176.094 0.064 0.000 1.129 260 V CA -0.249 62.010 62.300 -0.069 0.000 0.932 260 V CB 1.616 33.462 31.823 0.038 0.000 1.024 260 V HN 1.040 nan 8.190 nan 0.000 0.426 261 E N 4.900 125.136 120.200 0.060 0.000 2.403 261 E HA 0.351 4.702 4.350 0.002 0.000 0.280 261 E C -1.348 175.304 176.600 0.088 0.000 1.101 261 E CA -1.136 55.319 56.400 0.092 0.000 0.856 261 E CB 1.349 31.102 29.700 0.088 0.000 1.303 261 E HN 0.672 nan 8.360 nan 0.000 0.441 262 R N 0.430 120.985 120.500 0.092 0.000 2.640 262 R HA 0.122 4.463 4.340 0.002 0.000 0.270 262 R C 0.330 176.673 176.300 0.072 0.000 1.024 262 R CA -0.133 56.011 56.100 0.073 0.000 1.085 262 R CB 0.284 30.606 30.300 0.037 0.000 0.963 262 R HN 0.414 nan 8.270 nan 0.000 0.426 263 L N 3.679 124.951 121.223 0.082 0.000 2.448 263 L HA 0.039 4.380 4.340 0.002 0.000 0.278 263 L C -0.373 176.567 176.870 0.116 0.000 1.201 263 L CA 0.340 55.235 54.840 0.091 0.000 1.036 263 L CB -0.222 41.904 42.059 0.112 0.000 1.325 263 L HN 0.546 nan 8.230 nan 0.000 0.441 264 D N 1.871 122.295 120.400 0.041 0.000 2.738 264 D HA 0.072 4.713 4.640 0.002 0.000 0.237 264 D C 0.342 176.532 176.300 -0.184 0.000 1.123 264 D CA -0.479 53.476 54.000 -0.075 0.000 0.856 264 D CB 1.493 42.282 40.800 -0.018 0.000 1.552 264 D HN 0.398 nan 8.370 nan 0.000 0.480 265 Y N 0.992 121.190 120.300 -0.171 0.000 2.571 265 Y HA -0.019 4.532 4.550 0.002 0.000 0.294 265 Y C 2.026 177.904 175.900 -0.037 0.000 1.141 265 Y CA 0.724 58.747 58.100 -0.130 0.000 1.308 265 Y CB -0.541 37.806 38.460 -0.189 0.000 1.002 265 Y HN 0.208 nan 8.280 nan 0.000 0.551 266 S N 0.149 115.791 115.700 -0.096 0.000 2.453 266 S HA -0.097 4.373 4.470 0.002 0.000 0.231 266 S C 1.540 176.176 174.600 0.060 0.000 1.005 266 S CA 0.463 58.678 58.200 0.025 0.000 0.949 266 S CB -0.204 62.924 63.200 -0.120 0.000 0.774 266 S HN 0.362 nan 8.310 nan 0.000 0.510 267 K N 1.175 121.598 120.400 0.037 0.000 2.459 267 K HA 0.185 4.506 4.320 0.002 0.000 0.193 267 K C 1.384 177.989 176.600 0.008 0.000 1.030 267 K CA 0.607 56.918 56.287 0.042 0.000 1.026 267 K CB -0.945 31.582 32.500 0.045 0.000 0.809 267 K HN 0.593 nan 8.250 nan 0.000 0.504 268 G N 2.356 111.149 108.800 -0.012 0.000 2.305 268 G HA2 -0.252 3.709 3.960 0.002 0.000 0.287 268 G HA3 -0.252 3.709 3.960 0.002 0.000 0.287 268 G C 0.707 175.564 174.900 -0.071 0.000 1.036 268 G CA 0.129 45.195 45.100 -0.057 0.000 0.887 268 G HN 0.143 nan 8.290 nan 0.000 0.505 269 L N 0.233 121.394 121.223 -0.104 0.000 2.012 269 L HA 0.000 4.341 4.340 0.002 0.000 0.210 269 L C 0.751 177.405 176.870 -0.359 0.000 1.073 269 L CA 2.543 57.256 54.840 -0.211 0.000 0.748 269 L CB -1.725 40.162 42.059 -0.287 0.000 0.891 269 L HN 0.221 nan 8.230 nan 0.000 0.431 270 P HA -0.140 nan 4.420 nan 0.000 0.215 270 P C 1.394 178.669 177.300 -0.041 0.000 1.153 270 P CA 1.074 64.038 63.100 -0.227 0.000 0.853 270 P CB 0.123 31.738 31.700 -0.141 0.000 0.788 271 E N -0.908 119.267 120.200 -0.041 0.000 2.153 271 E HA -0.172 4.179 4.350 0.002 0.000 0.194 271 E C 2.122 178.755 176.600 0.055 0.000 0.988 271 E CA 0.964 57.361 56.400 -0.005 0.000 0.811 271 E CB -0.526 29.123 29.700 -0.084 0.000 0.746 271 E HN 0.070 nan 8.360 nan 0.000 0.466 272 R N -0.600 119.945 120.500 0.074 0.000 2.073 272 R HA -0.096 4.245 4.340 0.002 0.000 0.234 272 R C 1.750 178.268 176.300 0.364 0.000 1.134 272 R CA 1.141 57.339 56.100 0.162 0.000 0.952 272 R CB -0.280 30.139 30.300 0.199 0.000 0.850 272 R HN 0.112 nan 8.270 nan 0.000 0.433 273 F N 0.108 120.141 119.950 0.139 0.000 2.126 273 F HA -0.173 4.355 4.527 0.002 0.000 0.299 273 F C 1.942 177.844 175.800 0.171 0.000 1.096 273 F CA 0.856 58.980 58.000 0.208 0.000 1.255 273 F CB -0.730 38.338 39.000 0.112 0.000 0.997 273 F HN 0.058 nan 8.300 nan 0.000 0.479 274 L N -0.199 121.203 121.223 0.299 0.000 2.093 274 L HA -0.107 4.234 4.340 0.002 0.000 0.208 274 L C 2.562 179.519 176.870 0.144 0.000 1.085 274 L CA 1.725 56.676 54.840 0.185 0.000 0.755 274 L CB -1.706 40.431 42.059 0.130 0.000 0.904 274 L HN 0.096 nan 8.230 nan 0.000 0.435 275 A N -1.787 121.115 122.820 0.136 0.000 1.898 275 A HA -0.279 4.042 4.320 0.002 0.000 0.216 275 A C 2.295 179.942 177.584 0.105 0.000 1.181 275 A CA 1.480 53.572 52.037 0.093 0.000 0.620 275 A CB -0.919 18.111 19.000 0.049 0.000 0.819 275 A HN 0.447 nan 8.150 nan 0.000 0.442 276 Y N 0.682 120.975 120.300 -0.012 0.000 2.145 276 Y HA -0.201 4.350 4.550 0.001 0.000 0.286 276 Y C 2.345 178.222 175.900 -0.037 0.000 1.145 276 Y CA 2.017 60.090 58.100 -0.045 0.000 1.148 276 Y CB -0.497 37.961 38.460 -0.003 0.000 0.981 276 Y HN 0.565 nan 8.280 nan 0.000 0.507 277 E N -0.086 120.087 120.200 -0.045 0.000 2.097 277 E HA -0.271 4.080 4.350 0.002 0.000 0.196 277 E C 2.221 178.731 176.600 -0.151 0.000 1.000 277 E CA 1.440 57.733 56.400 -0.179 0.000 0.804 277 E CB -0.382 29.353 29.700 0.058 0.000 0.740 277 E HN 0.514 nan 8.360 nan 0.000 0.454 278 A N 0.878 123.693 122.820 -0.008 0.000 1.972 278 A HA -0.142 4.179 4.320 0.002 0.000 0.219 278 A C 2.139 179.778 177.584 0.092 0.000 1.169 278 A CA 1.271 53.340 52.037 0.054 0.000 0.635 278 A CB -0.598 18.457 19.000 0.091 0.000 0.810 278 A HN 0.414 nan 8.150 nan 0.000 0.446 279 L N -1.030 120.212 121.223 0.030 0.000 2.046 279 L HA -0.082 4.259 4.340 0.002 0.000 0.208 279 L C 2.016 178.953 176.870 0.112 0.000 1.077 279 L CA 1.565 56.462 54.840 0.094 0.000 0.747 279 L CB -0.384 41.640 42.059 -0.059 0.000 0.896 279 L HN 0.238 nan 8.230 nan 0.000 0.432 280 L N -0.561 120.551 121.223 -0.184 0.000 2.156 280 L HA -0.064 4.277 4.340 0.002 0.000 0.208 280 L C 2.580 179.473 176.870 0.039 0.000 1.095 280 L CA 1.332 56.075 54.840 -0.162 0.000 0.770 280 L CB -1.244 40.338 42.059 -0.795 0.000 0.914 280 L HN 0.328 nan 8.230 nan 0.000 0.439 281 E N 0.173 120.356 120.200 -0.027 0.000 2.047 281 E HA -0.156 4.194 4.350 0.002 0.000 0.191 281 E C 1.917 178.561 176.600 0.074 0.000 0.987 281 E CA 1.118 57.597 56.400 0.131 0.000 0.799 281 E CB 0.182 29.963 29.700 0.135 0.000 0.752 281 E HN 0.437 nan 8.360 nan 0.000 0.449 282 K N -0.977 119.450 120.400 0.045 0.000 2.361 282 K HA 0.053 4.374 4.320 0.002 0.000 0.194 282 K C 0.004 176.361 176.600 -0.405 0.000 1.032 282 K CA 0.080 56.266 56.287 -0.169 0.000 1.048 282 K CB 0.489 32.847 32.500 -0.237 0.000 0.842 282 K HN 0.063 nan 8.250 nan 0.000 0.526 283 Y N 0.947 121.228 120.300 -0.032 0.000 2.562 283 Y HA 0.200 4.751 4.550 0.001 0.000 0.363 283 Y C -1.904 173.869 175.900 -0.211 0.000 0.991 283 Y CA -2.213 55.836 58.100 -0.084 0.000 1.121 283 Y CB 0.805 39.293 38.460 0.047 0.000 1.159 283 Y HN -0.026 nan 8.280 nan 0.000 0.651 284 P HA -0.209 nan 4.420 nan 0.000 0.226 284 P C 0.364 177.349 177.300 -0.525 0.000 1.146 284 P CA 1.334 64.052 63.100 -0.637 0.000 0.773 284 P CB 0.350 31.801 31.700 -0.414 0.000 0.772 285 Q N -1.227 118.370 119.800 -0.337 0.000 2.364 285 Q HA -0.138 4.203 4.340 0.002 0.000 0.207 285 Q C 1.638 177.485 176.000 -0.255 0.000 0.970 285 Q CA 1.030 56.653 55.803 -0.299 0.000 0.888 285 Q CB -0.835 27.707 28.738 -0.328 0.000 0.951 285 Q HN 0.478 nan 8.270 nan 0.000 0.469 286 H N -0.184 118.860 119.070 -0.044 0.000 2.548 286 H HA 0.123 4.680 4.556 0.002 0.000 0.265 286 H C -0.124 175.198 175.328 -0.009 0.000 0.969 286 H CA 0.032 56.090 56.048 0.018 0.000 1.155 286 H CB -0.053 29.766 29.762 0.094 0.000 1.394 286 H HN 0.434 nan 8.280 nan 0.000 0.570 287 H N 0.115 119.100 119.070 -0.142 0.000 3.004 287 H HA 0.114 4.671 4.556 0.002 0.000 0.316 287 H C 1.228 175.981 175.328 -0.957 0.000 1.014 287 H CA 0.429 56.147 56.048 -0.551 0.000 1.454 287 H CB 0.653 30.251 29.762 -0.274 0.000 1.472 287 H HN 0.535 nan 8.280 nan 0.000 0.571 288 G N 3.031 110.585 108.800 -2.077 0.000 2.199 288 G HA2 -0.333 3.628 3.960 0.002 0.000 0.254 288 G HA3 -0.333 3.628 3.960 0.002 0.000 0.254 288 G C 0.941 175.421 174.900 -0.699 0.000 0.982 288 G CA 0.520 44.620 45.100 -1.668 0.000 0.632 288 G HN 0.622 nan 8.290 nan 0.000 0.529 289 K N -0.213 119.980 120.400 -0.346 0.000 2.402 289 K HA 0.487 4.807 4.320 0.002 0.000 0.204 289 K C 0.838 177.505 176.600 0.111 0.000 1.056 289 K CA 0.581 56.840 56.287 -0.046 0.000 1.069 289 K CB 0.745 33.243 32.500 -0.004 0.000 0.888 289 K HN 0.727 nan 8.250 nan 0.000 0.546 290 I N -2.841 117.882 120.570 0.255 0.000 3.174 290 I HA 0.598 4.768 4.170 0.002 0.000 0.313 290 I C -1.535 174.910 176.117 0.545 0.000 1.155 290 I CA -1.453 60.045 61.300 0.330 0.000 0.977 290 I CB 2.358 40.514 38.000 0.260 0.000 1.248 290 I HN -0.239 nan 8.210 nan 0.000 0.453 291 R N 2.029 122.746 120.500 0.363 0.000 2.536 291 R HA 0.417 4.758 4.340 0.002 0.000 0.269 291 R C -2.393 173.991 176.300 0.140 0.000 1.113 291 R CA -0.580 55.681 56.100 0.269 0.000 0.948 291 R CB 1.697 32.074 30.300 0.129 0.000 1.237 291 R HN 0.726 nan 8.270 nan 0.000 0.441 292 Y N 2.884 123.060 120.300 -0.207 0.000 2.328 292 Y HA 0.530 5.081 4.550 0.001 0.000 0.333 292 Y C -1.336 174.419 175.900 -0.243 0.000 0.958 292 Y CA -0.675 57.165 58.100 -0.434 0.000 1.167 292 Y CB 1.902 39.622 38.460 -1.233 0.000 1.151 292 Y HN 0.554 nan 8.280 nan 0.000 0.470 293 T N 6.872 121.377 114.554 -0.082 0.000 2.771 293 T HA 0.322 4.673 4.350 0.002 0.000 0.281 293 T C -1.019 173.446 174.700 -0.391 0.000 0.982 293 T CA -0.515 61.480 62.100 -0.175 0.000 0.978 293 T CB 1.044 69.969 68.868 0.096 0.000 0.930 293 T HN 0.589 nan 8.240 nan 0.000 0.447 294 Q N 3.652 123.196 119.800 -0.427 0.000 2.341 294 Q HA 0.534 4.875 4.340 0.002 0.000 0.268 294 Q C -1.393 174.514 176.000 -0.156 0.000 1.013 294 Q CA -0.397 55.241 55.803 -0.275 0.000 0.798 294 Q CB 0.587 29.280 28.738 -0.075 0.000 1.253 294 Q HN 0.652 nan 8.270 nan 0.000 0.457 295 I N 3.050 123.461 120.570 -0.265 0.000 2.336 295 I HA 0.712 4.883 4.170 0.002 0.000 0.292 295 I C -0.503 175.594 176.117 -0.033 0.000 0.991 295 I CA -0.909 60.293 61.300 -0.163 0.000 1.227 295 I CB 1.682 39.508 38.000 -0.290 0.000 1.366 295 I HN 0.790 nan 8.210 nan 0.000 0.466 296 A N 8.817 131.656 122.820 0.032 0.000 3.007 296 A HA 0.505 4.826 4.320 0.002 0.000 0.314 296 A C -2.708 174.928 177.584 0.087 0.000 1.153 296 A CA -1.188 50.904 52.037 0.093 0.000 0.780 296 A CB 0.288 19.402 19.000 0.191 0.000 1.258 296 A HN 0.354 nan 8.150 nan 0.000 0.460 297 P HA 0.115 nan 4.420 nan 0.000 0.269 297 P C 0.218 177.565 177.300 0.077 0.000 1.209 297 P CA 0.583 63.746 63.100 0.104 0.000 0.776 297 P CB 0.523 32.327 31.700 0.174 0.000 0.876 298 T N 1.887 116.473 114.554 0.054 0.000 2.902 298 T HA 0.159 4.510 4.350 0.002 0.000 0.301 298 T C 0.520 175.217 174.700 -0.006 0.000 1.012 298 T CA 0.734 62.854 62.100 0.033 0.000 1.151 298 T CB -0.183 68.696 68.868 0.019 0.000 0.946 298 T HN 0.371 nan 8.240 nan 0.000 0.542 299 S N 2.697 118.370 115.700 -0.045 0.000 2.521 299 S HA 0.451 4.922 4.470 0.002 0.000 0.295 299 S C -0.004 174.364 174.600 -0.387 0.000 1.098 299 S CA -0.884 57.214 58.200 -0.170 0.000 0.999 299 S CB 0.445 63.540 63.200 -0.175 0.000 1.034 299 S HN 0.776 nan 8.310 nan 0.000 0.483 300 R N 2.150 122.426 120.500 -0.372 0.000 3.336 300 R HA -0.159 4.182 4.340 0.002 0.000 0.260 300 R C 1.087 177.172 176.300 -0.358 0.000 1.032 300 R CA 0.637 56.433 56.100 -0.506 0.000 0.693 300 R CB -2.045 27.590 30.300 -1.108 0.000 1.134 300 R HN 0.804 nan 8.270 nan 0.000 0.433 301 G N -0.142 108.571 108.800 -0.145 0.000 2.679 301 G HA2 -0.182 3.779 3.960 0.002 0.000 0.212 301 G HA3 -0.182 3.779 3.960 0.002 0.000 0.212 301 G C 0.820 175.720 174.900 0.000 0.000 1.137 301 G CA 0.452 45.528 45.100 -0.040 0.000 0.787 301 G HN 0.314 nan 8.290 nan 0.000 0.534 302 D N -0.111 120.283 120.400 -0.010 0.000 2.347 302 D HA 0.042 4.683 4.640 0.002 0.000 0.213 302 D C 0.886 177.209 176.300 0.038 0.000 0.985 302 D CA 0.174 54.188 54.000 0.023 0.000 0.879 302 D CB 0.605 41.425 40.800 0.032 0.000 0.919 302 D HN 0.075 nan 8.370 nan 0.000 0.526 303 V N 1.945 121.886 119.914 0.045 0.000 2.461 303 V HA 0.003 4.124 4.120 0.002 0.000 0.275 303 V C 1.456 177.651 176.094 0.168 0.000 1.047 303 V CA -0.283 62.087 62.300 0.117 0.000 0.955 303 V CB 1.730 33.663 31.823 0.182 0.000 0.988 303 V HN -0.114 nan 8.190 nan 0.000 0.471 304 Q N 5.590 125.456 119.800 0.111 0.000 2.077 304 Q HA -0.229 4.112 4.340 0.002 0.000 0.206 304 Q C 2.085 178.133 176.000 0.080 0.000 0.989 304 Q CA 2.615 58.469 55.803 0.085 0.000 0.853 304 Q CB -0.375 28.396 28.738 0.054 0.000 0.907 304 Q HN 0.924 nan 8.270 nan 0.000 0.418 305 A N -0.948 121.915 122.820 0.072 0.000 1.978 305 A HA -0.190 4.131 4.320 0.002 0.000 0.220 305 A C 1.854 179.428 177.584 -0.017 0.000 1.170 305 A CA 1.578 53.593 52.037 -0.035 0.000 0.636 305 A CB -0.949 17.957 19.000 -0.156 0.000 0.810 305 A HN 0.586 nan 8.150 nan 0.000 0.448 306 Y N -0.013 120.352 120.300 0.110 0.000 2.200 306 Y HA -0.214 4.336 4.550 0.001 0.000 0.290 306 Y C 2.762 178.642 175.900 -0.034 0.000 1.137 306 Y CA 1.824 59.960 58.100 0.059 0.000 1.163 306 Y CB -0.468 37.990 38.460 -0.004 0.000 0.988 306 Y HN 0.410 nan 8.280 nan 0.000 0.518 307 Q N 0.080 119.928 119.800 0.079 0.000 2.061 307 Q HA -0.213 4.128 4.340 0.002 0.000 0.204 307 Q C 1.699 177.591 176.000 -0.180 0.000 0.984 307 Q CA 1.682 57.421 55.803 -0.107 0.000 0.846 307 Q CB -0.220 28.503 28.738 -0.026 0.000 0.902 307 Q HN 0.450 nan 8.270 nan 0.000 0.421 308 D N 0.605 120.994 120.400 -0.018 0.000 2.104 308 D HA -0.177 4.464 4.640 0.002 0.000 0.194 308 D C 1.784 178.076 176.300 -0.014 0.000 0.994 308 D CA 0.960 54.975 54.000 0.024 0.000 0.830 308 D CB -0.225 40.580 40.800 0.008 0.000 0.959 308 D HN 0.171 nan 8.370 nan 0.000 0.452 309 I N 0.498 121.044 120.570 -0.041 0.000 2.394 309 I HA -0.171 4.000 4.170 0.002 0.000 0.251 309 I C 2.308 178.386 176.117 -0.065 0.000 1.136 309 I CA 1.000 62.272 61.300 -0.046 0.000 1.425 309 I CB -0.006 37.980 38.000 -0.022 0.000 1.079 309 I HN -0.166 nan 8.210 nan 0.000 0.425 310 R N -0.647 119.804 120.500 -0.082 0.000 2.066 310 R HA -0.202 4.138 4.340 0.002 0.000 0.232 310 R C 2.395 178.661 176.300 -0.057 0.000 1.131 310 R CA 1.571 57.621 56.100 -0.083 0.000 0.955 310 R CB -0.361 29.858 30.300 -0.135 0.000 0.851 310 R HN 0.438 nan 8.270 nan 0.000 0.432 311 H N 0.188 119.270 119.070 0.021 0.000 2.387 311 H HA -0.158 4.399 4.556 0.002 0.000 0.299 311 H C 1.910 177.226 175.328 -0.020 0.000 1.090 311 H CA 1.769 57.824 56.048 0.012 0.000 1.332 311 H CB -0.255 29.516 29.762 0.015 0.000 1.386 311 H HN 0.456 nan 8.280 nan 0.000 0.516 312 Q N 0.181 120.025 119.800 0.073 0.000 2.079 312 Q HA -0.110 4.231 4.340 0.002 0.000 0.200 312 Q C 2.171 178.127 176.000 -0.074 0.000 0.974 312 Q CA 0.835 56.640 55.803 0.003 0.000 0.840 312 Q CB -0.025 28.700 28.738 -0.022 0.000 0.898 312 Q HN 0.217 nan 8.270 nan 0.000 0.430 313 L N 1.223 122.350 121.223 -0.160 0.000 2.056 313 L HA -0.129 4.212 4.340 0.002 0.000 0.207 313 L C 1.873 178.562 176.870 -0.301 0.000 1.078 313 L CA 1.831 56.454 54.840 -0.362 0.000 0.749 313 L CB -0.311 41.446 42.059 -0.504 0.000 0.901 313 L HN 0.242 nan 8.230 nan 0.000 0.433 314 E N -0.890 119.225 120.200 -0.142 0.000 2.118 314 E HA -0.251 4.100 4.350 0.002 0.000 0.195 314 E C 1.984 178.597 176.600 0.022 0.000 0.992 314 E CA 1.193 57.588 56.400 -0.008 0.000 0.804 314 E CB -0.276 29.506 29.700 0.136 0.000 0.741 314 E HN 0.505 nan 8.360 nan 0.000 0.458 315 N N 0.690 119.405 118.700 0.025 0.000 2.106 315 N HA -0.191 4.550 4.740 0.002 0.000 0.188 315 N C 1.588 177.130 175.510 0.053 0.000 1.029 315 N CA 1.008 54.080 53.050 0.036 0.000 0.848 315 N CB 0.176 38.683 38.487 0.032 0.000 1.007 315 N HN 0.133 nan 8.380 nan 0.000 0.423 316 E N 0.858 121.102 120.200 0.072 0.000 2.106 316 E HA -0.099 4.252 4.350 0.002 0.000 0.192 316 E C 1.946 178.661 176.600 0.191 0.000 0.984 316 E CA 0.784 57.283 56.400 0.165 0.000 0.806 316 E CB -0.350 29.497 29.700 0.245 0.000 0.750 316 E HN 0.442 nan 8.360 nan 0.000 0.458 317 A N 1.300 124.221 122.820 0.169 0.000 1.865 317 A HA -0.121 4.200 4.320 0.002 0.000 0.217 317 A C 2.527 180.119 177.584 0.013 0.000 1.191 317 A CA 2.101 54.161 52.037 0.040 0.000 0.623 317 A CB -1.211 17.812 19.000 0.038 0.000 0.826 317 A HN 0.346 nan 8.150 nan 0.000 0.444 318 G N -0.880 107.940 108.800 0.034 0.000 2.418 318 G HA2 -0.259 3.702 3.960 0.002 0.000 0.217 318 G HA3 -0.259 3.702 3.960 0.002 0.000 0.217 318 G C 1.759 176.668 174.900 0.015 0.000 1.158 318 G CA 1.087 46.198 45.100 0.018 0.000 0.771 318 G HN 0.566 nan 8.290 nan 0.000 0.545 319 R N -0.066 120.456 120.500 0.036 0.000 2.066 319 R HA 0.081 4.422 4.340 0.002 0.000 0.232 319 R C 2.549 178.878 176.300 0.049 0.000 1.131 319 R CA 1.068 57.191 56.100 0.038 0.000 0.955 319 R CB -0.294 30.039 30.300 0.055 0.000 0.851 319 R HN 0.414 nan 8.270 nan 0.000 0.432 320 I N 1.263 121.880 120.570 0.079 0.000 2.202 320 I HA -0.261 3.910 4.170 0.002 0.000 0.242 320 I C 1.781 177.962 176.117 0.107 0.000 1.091 320 I CA 0.995 62.380 61.300 0.143 0.000 1.368 320 I CB -0.366 37.704 38.000 0.117 0.000 1.058 320 I HN 0.226 nan 8.210 nan 0.000 0.410 321 N N 1.120 119.820 118.700 0.000 0.000 2.223 321 N HA -0.120 4.621 4.740 0.002 0.000 0.185 321 N C 1.867 177.352 175.510 -0.042 0.000 1.016 321 N CA 1.570 54.586 53.050 -0.057 0.000 0.863 321 N CB -0.603 37.816 38.487 -0.114 0.000 0.983 321 N HN 0.421 nan 8.380 nan 0.000 0.429 322 G N 0.535 109.317 108.800 -0.030 0.000 2.443 322 G HA2 -0.217 3.743 3.960 0.002 0.000 0.219 322 G HA3 -0.217 3.743 3.960 0.002 0.000 0.219 322 G C 1.616 176.474 174.900 -0.070 0.000 1.131 322 G CA 0.628 45.704 45.100 -0.040 0.000 0.775 322 G HN 0.336 nan 8.290 nan 0.000 0.547 323 K N -1.167 119.171 120.400 -0.104 0.000 2.244 323 K HA 0.154 4.475 4.320 0.002 0.000 0.200 323 K C 1.401 177.749 176.600 -0.419 0.000 1.052 323 K CA 0.201 56.323 56.287 -0.275 0.000 0.980 323 K CB 0.094 32.377 32.500 -0.361 0.000 0.838 323 K HN 0.347 nan 8.250 nan 0.000 0.481 324 Y N 0.157 120.428 120.300 -0.049 0.000 2.444 324 Y HA 0.323 4.874 4.550 0.002 0.000 0.249 324 Y C 1.066 176.932 175.900 -0.057 0.000 1.134 324 Y CA -0.293 57.770 58.100 -0.062 0.000 1.261 324 Y CB 0.631 39.021 38.460 -0.117 0.000 1.143 324 Y HN 0.029 nan 8.280 nan 0.000 0.523 325 G N 0.589 109.399 108.800 0.018 0.000 2.636 325 G HA2 0.409 4.370 3.960 0.002 0.000 0.246 325 G HA3 0.409 4.370 3.960 0.002 0.000 0.246 325 G C -0.405 174.558 174.900 0.105 0.000 1.216 325 G CA -0.284 44.803 45.100 -0.022 0.000 0.854 325 G HN 0.223 nan 8.290 nan 0.000 0.572 326 Q N -0.660 119.243 119.800 0.173 0.000 2.552 326 Q HA 0.371 4.712 4.340 0.002 0.000 0.289 326 Q C 1.325 177.405 176.000 0.133 0.000 1.097 326 Q CA -1.030 54.883 55.803 0.183 0.000 0.812 326 Q CB 2.107 31.011 28.738 0.276 0.000 1.460 326 Q HN 0.351 nan 8.270 nan 0.000 0.452 327 L N -0.040 121.247 121.223 0.107 0.000 2.129 327 L HA -0.129 4.212 4.340 0.002 0.000 0.212 327 L C 1.282 178.215 176.870 0.105 0.000 1.087 327 L CA 1.642 56.532 54.840 0.083 0.000 0.757 327 L CB -0.213 41.886 42.059 0.066 0.000 0.896 327 L HN 0.860 nan 8.230 nan 0.000 0.434 328 G N -2.635 106.259 108.800 0.156 0.000 4.144 328 G HA2 0.181 4.142 3.960 0.002 0.000 0.297 328 G HA3 0.181 4.142 3.960 0.002 0.000 0.297 328 G C -1.213 173.873 174.900 0.311 0.000 1.090 328 G CA -0.230 44.979 45.100 0.181 0.000 0.870 328 G HN 0.211 nan 8.290 nan 0.000 0.532 329 W N 1.400 122.744 121.300 0.074 0.000 3.097 329 W HA 0.463 5.124 4.660 0.002 0.000 0.325 329 W C -1.071 175.511 176.519 0.105 0.000 1.056 329 W CA -0.878 56.528 57.345 0.102 0.000 1.254 329 W CB 0.845 30.360 29.460 0.092 0.000 1.202 329 W HN -0.075 nan 8.180 nan 0.000 0.400 330 T N 8.392 122.763 114.554 -0.306 0.000 2.762 330 T HA 0.184 4.535 4.350 0.002 0.000 0.303 330 T C -1.579 172.690 174.700 -0.719 0.000 0.977 330 T CA -0.946 60.887 62.100 -0.446 0.000 0.961 330 T CB 1.365 70.042 68.868 -0.318 0.000 0.944 330 T HN 0.193 nan 8.240 nan 0.000 0.481 331 P HA 0.020 nan 4.420 nan 0.000 0.218 331 P C 0.173 177.417 177.300 -0.093 0.000 1.149 331 P CA 0.649 63.247 63.100 -0.837 0.000 0.817 331 P CB 0.477 31.794 31.700 -0.637 0.000 0.785 332 L N -1.261 119.883 121.223 -0.131 0.000 2.439 332 L HA 0.422 4.762 4.340 0.002 0.000 0.270 332 L C -1.378 175.387 176.870 -0.174 0.000 0.972 332 L CA -1.054 53.671 54.840 -0.191 0.000 0.836 332 L CB 1.521 43.400 42.059 -0.300 0.000 1.255 332 L HN -0.269 nan 8.230 nan 0.000 0.404 333 Y N 4.673 124.784 120.300 -0.315 0.000 2.491 333 Y HA 0.271 4.822 4.550 0.002 0.000 0.334 333 Y C -0.667 175.130 175.900 -0.171 0.000 0.969 333 Y CA -0.427 57.563 58.100 -0.182 0.000 1.241 333 Y CB 0.919 39.305 38.460 -0.123 0.000 1.105 333 Y HN 0.421 nan 8.280 nan 0.000 0.503 334 Y N 4.816 125.028 120.300 -0.146 0.000 2.335 334 Y HA 0.653 5.204 4.550 0.002 0.000 0.339 334 Y C -1.533 174.371 175.900 0.007 0.000 0.987 334 Y CA -1.510 56.551 58.100 -0.066 0.000 1.140 334 Y CB 0.586 39.055 38.460 0.015 0.000 1.173 334 Y HN 0.454 nan 8.280 nan 0.000 0.486 335 L N 7.327 128.298 121.223 -0.421 0.000 2.343 335 L HA 0.353 4.694 4.340 0.002 0.000 0.278 335 L C 0.027 176.638 176.870 -0.432 0.000 0.996 335 L CA -0.512 54.121 54.840 -0.345 0.000 0.831 335 L CB 1.619 43.680 42.059 0.003 0.000 1.232 335 L HN 0.730 nan 8.230 nan 0.000 0.413 336 N N 4.143 122.546 118.700 -0.495 0.000 3.298 336 N HA 0.200 4.941 4.740 0.002 0.000 0.292 336 N C -0.899 174.573 175.510 -0.063 0.000 1.271 336 N CA -0.197 52.693 53.050 -0.267 0.000 1.184 336 N CB 0.455 38.806 38.487 -0.226 0.000 1.452 336 N HN 0.695 nan 8.380 nan 0.000 0.534 337 Q N 0.492 120.309 119.800 0.029 0.000 2.418 337 Q HA 0.141 4.482 4.340 0.002 0.000 0.282 337 Q C -1.461 174.650 176.000 0.185 0.000 1.044 337 Q CA -0.864 54.987 55.803 0.080 0.000 0.813 337 Q CB 1.925 30.689 28.738 0.043 0.000 1.428 337 Q HN 0.432 nan 8.270 nan 0.000 0.402 338 H N 0.708 119.796 119.070 0.029 0.000 2.548 338 H HA 0.481 5.038 4.556 0.001 0.000 0.331 338 H C -1.539 173.795 175.328 0.009 0.000 1.093 338 H CA -0.007 56.084 56.048 0.072 0.000 1.367 338 H CB 0.461 30.224 29.762 0.002 0.000 1.455 338 H HN 0.355 nan 8.280 nan 0.000 0.519 339 F N 2.645 122.189 119.950 -0.677 0.000 2.495 339 F HA 0.162 4.690 4.527 0.001 0.000 0.327 339 F C 0.055 175.508 175.800 -0.578 0.000 1.103 339 F CA -0.997 56.736 58.000 -0.447 0.000 0.949 339 F CB 1.272 40.142 39.000 -0.217 0.000 1.142 339 F HN 0.633 nan 8.300 nan 0.000 0.457 340 D N 2.408 122.729 120.400 -0.132 0.000 2.493 340 D HA -0.028 4.613 4.640 0.002 0.000 0.240 340 D C 1.424 177.713 176.300 -0.019 0.000 1.142 340 D CA 0.494 54.479 54.000 -0.024 0.000 0.872 340 D CB 0.775 41.552 40.800 -0.038 0.000 1.173 340 D HN 0.607 nan 8.370 nan 0.000 0.467 341 R N 3.285 123.793 120.500 0.014 0.000 2.105 341 R HA -0.158 4.183 4.340 0.002 0.000 0.239 341 R C 1.883 178.171 176.300 -0.020 0.000 1.135 341 R CA 1.269 57.373 56.100 0.007 0.000 0.967 341 R CB 0.079 30.415 30.300 0.060 0.000 0.861 341 R HN 0.472 nan 8.270 nan 0.000 0.442 342 K N 0.173 120.569 120.400 -0.006 0.000 2.044 342 K HA -0.215 4.106 4.320 0.002 0.000 0.210 342 K C 2.024 178.597 176.600 -0.045 0.000 1.049 342 K CA 1.626 57.903 56.287 -0.017 0.000 0.927 342 K CB -0.216 32.276 32.500 -0.013 0.000 0.713 342 K HN 0.127 nan 8.250 nan 0.000 0.443 343 L N 1.500 122.696 121.223 -0.045 0.000 2.109 343 L HA -0.001 4.340 4.340 0.002 0.000 0.207 343 L C 0.963 177.751 176.870 -0.137 0.000 1.086 343 L CA 1.115 55.927 54.840 -0.046 0.000 0.760 343 L CB -0.263 41.808 42.059 0.021 0.000 0.910 343 L HN 0.062 nan 8.230 nan 0.000 0.437 347 I N 1.647 122.083 120.570 -0.224 0.000 2.286 347 I HA -0.226 3.945 4.170 0.002 0.000 0.248 347 I C 1.866 177.791 176.117 -0.320 0.000 1.115 347 I CA 1.455 62.537 61.300 -0.362 0.000 1.392 347 I CB -0.225 37.343 38.000 -0.720 0.000 1.065 347 I HN 0.039 nan 8.210 nan 0.000 0.418 348 F N 1.017 120.794 119.950 -0.288 0.000 2.095 348 F HA -0.228 4.300 4.527 0.001 0.000 0.298 348 F C 2.723 178.339 175.800 -0.307 0.000 1.104 348 F CA 1.444 59.345 58.000 -0.165 0.000 1.232 348 F CB -1.148 37.796 39.000 -0.093 0.000 0.987 348 F HN -0.011 nan 8.300 nan 0.000 0.475 349 R N -0.842 119.537 120.500 -0.203 0.000 2.105 349 R HA -0.202 4.139 4.340 0.002 0.000 0.239 349 R C 1.674 177.637 176.300 -0.562 0.000 1.135 349 R CA 1.666 57.468 56.100 -0.495 0.000 0.967 349 R CB -0.500 29.364 30.300 -0.726 0.000 0.861 349 R HN 0.330 nan 8.270 nan 0.000 0.442 350 Y N -0.453 119.796 120.300 -0.085 0.000 2.461 350 Y HA 0.265 4.816 4.550 0.001 0.000 0.277 350 Y C 0.282 176.157 175.900 -0.041 0.000 1.182 350 Y CA -0.556 57.500 58.100 -0.073 0.000 1.276 350 Y CB 0.736 39.142 38.460 -0.091 0.000 1.087 350 Y HN -0.092 nan 8.280 nan 0.000 0.519 351 S N 0.487 116.239 115.700 0.087 0.000 2.525 351 S HA 0.041 4.512 4.470 0.002 0.000 0.278 351 S C 0.201 174.914 174.600 0.189 0.000 1.234 351 S CA -0.611 57.688 58.200 0.165 0.000 1.058 351 S CB 1.047 64.437 63.200 0.316 0.000 0.983 351 S HN 0.345 nan 8.310 nan 0.000 0.495 352 D N 0.984 121.474 120.400 0.151 0.000 2.194 352 D HA 0.050 4.691 4.640 0.002 0.000 0.204 352 D C -0.130 176.259 176.300 0.149 0.000 0.964 352 D CA 0.762 54.833 54.000 0.120 0.000 0.846 352 D CB 0.241 41.084 40.800 0.072 0.000 0.962 352 D HN 0.235 nan 8.370 nan 0.000 0.490 353 V N 0.275 120.267 119.914 0.131 0.000 2.686 353 V HA 0.616 4.737 4.120 0.002 0.000 0.306 353 V C 0.223 176.224 176.094 -0.155 0.000 1.065 353 V CA -1.214 61.091 62.300 0.008 0.000 0.894 353 V CB 1.938 33.728 31.823 -0.054 0.000 1.004 353 V HN 0.068 nan 8.190 nan 0.000 0.424 354 G N 3.753 112.140 108.800 -0.689 0.000 2.319 354 G HA2 0.601 4.562 3.960 0.002 0.000 0.308 354 G HA3 0.601 4.562 3.960 0.002 0.000 0.308 354 G C -0.892 173.704 174.900 -0.507 0.000 1.117 354 G CA -0.429 44.085 45.100 -0.977 0.000 0.903 354 G HN 0.627 nan 8.290 nan 0.000 0.436 355 L N 3.766 124.811 121.223 -0.298 0.000 2.277 355 L HA 0.459 4.800 4.340 0.002 0.000 0.284 355 L C -0.741 176.032 176.870 -0.161 0.000 1.028 355 L CA -0.662 54.041 54.840 -0.227 0.000 0.835 355 L CB 1.450 43.354 42.059 -0.258 0.000 1.215 355 L HN 0.203 nan 8.230 nan 0.000 0.425 356 V N 3.094 122.924 119.914 -0.140 0.000 2.327 356 V HA 0.236 4.357 4.120 0.002 0.000 0.272 356 V C 0.281 176.350 176.094 -0.041 0.000 1.019 356 V CA -0.365 61.890 62.300 -0.075 0.000 0.814 356 V CB 1.244 33.023 31.823 -0.074 0.000 1.040 356 V HN 0.817 nan 8.190 nan 0.000 0.440 357 T N 1.610 116.150 114.554 -0.023 0.000 3.514 357 T HA 0.358 4.709 4.350 0.002 0.000 0.259 357 T C -2.285 172.427 174.700 0.019 0.000 1.466 357 T CA -1.659 60.435 62.100 -0.009 0.000 1.562 357 T CB 0.778 69.626 68.868 -0.035 0.000 0.924 357 T HN 0.395 nan 8.240 nan 0.000 0.678 358 P HA 0.141 nan 4.420 nan 0.000 0.269 358 P C 0.627 177.985 177.300 0.098 0.000 1.215 358 P CA -0.557 62.588 63.100 0.074 0.000 0.780 358 P CB 1.057 32.825 31.700 0.113 0.000 0.898 359 L N 1.155 122.406 121.223 0.047 0.000 2.156 359 L HA 0.069 4.410 4.340 0.002 0.000 0.208 359 L C 1.382 178.280 176.870 0.047 0.000 1.095 359 L CA 1.609 56.448 54.840 -0.003 0.000 0.770 359 L CB -1.121 40.909 42.059 -0.048 0.000 0.914 359 L HN 0.540 nan 8.230 nan 0.000 0.439 360 R N -0.905 119.664 120.500 0.115 0.000 2.560 360 R HA 0.348 4.689 4.340 0.002 0.000 0.267 360 R C -1.812 174.621 176.300 0.222 0.000 1.150 360 R CA -0.261 55.918 56.100 0.133 0.000 0.997 360 R CB 1.131 31.482 30.300 0.084 0.000 1.250 360 R HN -0.140 nan 8.270 nan 0.000 0.433 361 D N 2.248 122.764 120.400 0.194 0.000 2.977 361 D HA 0.310 4.951 4.640 0.002 0.000 0.220 361 D C -0.123 176.286 176.300 0.181 0.000 1.267 361 D CA -0.164 53.967 54.000 0.219 0.000 0.884 361 D CB 1.957 42.876 40.800 0.199 0.000 1.667 361 D HN 0.624 nan 8.370 nan 0.000 0.536 365 L N 1.329 122.622 121.223 0.116 0.000 2.240 365 L HA 0.019 4.360 4.340 0.002 0.000 0.211 365 L C 2.166 179.102 176.870 0.110 0.000 1.106 365 L CA 0.690 55.588 54.840 0.096 0.000 0.793 365 L CB 0.002 42.114 42.059 0.088 0.000 0.927 365 L HN 0.288 nan 8.230 nan 0.000 0.446 366 V N 0.604 120.599 119.914 0.135 0.000 2.324 366 V HA -0.359 3.762 4.120 0.002 0.000 0.250 366 V C 2.819 178.921 176.094 0.013 0.000 1.060 366 V CA 1.979 64.368 62.300 0.149 0.000 1.042 366 V CB -0.782 31.152 31.823 0.184 0.000 0.650 366 V HN 0.513 nan 8.190 nan 0.000 0.450 367 A N -0.439 122.390 122.820 0.016 0.000 1.908 367 A HA -0.270 4.051 4.320 0.002 0.000 0.218 367 A C 2.289 179.885 177.584 0.020 0.000 1.181 367 A CA 2.153 54.185 52.037 -0.009 0.000 0.627 367 A CB -0.428 18.576 19.000 0.007 0.000 0.818 367 A HN 0.573 nan 8.150 nan 0.000 0.445 368 K N -0.568 119.852 120.400 0.034 0.000 2.103 368 K HA -0.093 4.228 4.320 0.002 0.000 0.204 368 K C 1.956 178.577 176.600 0.035 0.000 1.052 368 K CA 1.363 57.670 56.287 0.034 0.000 0.945 368 K CB -0.137 32.385 32.500 0.036 0.000 0.722 368 K HN 0.610 nan 8.250 nan 0.000 0.443 369 E N 0.074 120.308 120.200 0.057 0.000 2.077 369 E HA -0.222 4.129 4.350 0.002 0.000 0.193 369 E C 1.782 178.378 176.600 -0.008 0.000 0.989 369 E CA 1.178 57.645 56.400 0.110 0.000 0.800 369 E CB -0.150 29.733 29.700 0.305 0.000 0.746 369 E HN 0.310 nan 8.360 nan 0.000 0.452 370 Y N 0.974 121.030 120.300 -0.406 0.000 2.128 370 Y HA -0.269 4.282 4.550 0.002 0.000 0.284 370 Y C 2.344 178.143 175.900 -0.167 0.000 1.154 370 Y CA 1.676 59.422 58.100 -0.590 0.000 1.149 370 Y CB -0.225 37.853 38.460 -0.638 0.000 0.976 370 Y HN 0.008 nan 8.280 nan 0.000 0.505 371 V N 0.148 120.049 119.914 -0.020 0.000 2.427 371 V HA -0.124 3.997 4.120 0.002 0.000 0.248 371 V C 2.171 178.300 176.094 0.059 0.000 1.051 371 V CA 1.915 64.234 62.300 0.031 0.000 1.048 371 V CB -1.273 30.580 31.823 0.050 0.000 0.666 371 V HN 0.434 nan 8.190 nan 0.000 0.456 372 A N 0.140 122.968 122.820 0.013 0.000 2.070 372 A HA 0.187 4.508 4.320 0.002 0.000 0.220 372 A C 2.350 179.945 177.584 0.019 0.000 1.159 372 A CA 1.908 53.963 52.037 0.030 0.000 0.656 372 A CB -0.811 18.208 19.000 0.032 0.000 0.800 372 A HN 1.082 nan 8.150 nan 0.000 0.453 373 A N -1.545 121.255 122.820 -0.034 0.000 2.132 373 A HA 0.171 4.492 4.320 0.002 0.000 0.213 373 A C 1.027 178.506 177.584 -0.176 0.000 1.154 373 A CA 0.058 52.054 52.037 -0.068 0.000 0.753 373 A CB -0.051 18.955 19.000 0.010 0.000 0.826 373 A HN 0.419 nan 8.150 nan 0.000 0.469 374 Q N 1.248 120.916 119.800 -0.220 0.000 2.364 374 Q HA 0.099 4.440 4.340 0.002 0.000 0.267 374 Q C -0.654 175.153 176.000 -0.322 0.000 0.999 374 Q CA -0.124 55.453 55.803 -0.377 0.000 0.886 374 Q CB 0.510 28.906 28.738 -0.571 0.000 1.243 374 Q HN 0.390 nan 8.270 nan 0.000 0.415 375 D N 4.200 124.409 120.400 -0.319 0.000 2.349 375 D HA 0.003 4.644 4.640 0.002 0.000 0.266 375 D C -1.512 174.630 176.300 -0.262 0.000 1.293 375 D CA -1.582 52.279 54.000 -0.231 0.000 0.926 375 D CB 0.824 41.510 40.800 -0.191 0.000 1.090 375 D HN 0.172 nan 8.370 nan 0.000 0.502 376 P HA -0.179 nan 4.420 nan 0.000 0.217 376 P C 0.863 178.101 177.300 -0.104 0.000 1.148 376 P CA 1.189 64.213 63.100 -0.126 0.000 0.828 376 P CB 0.113 31.831 31.700 0.029 0.000 0.783 377 A N -1.423 121.347 122.820 -0.084 0.000 2.119 377 A HA -0.036 4.285 4.320 0.002 0.000 0.216 377 A C 1.265 178.811 177.584 -0.062 0.000 1.152 377 A CA 0.904 52.910 52.037 -0.053 0.000 0.708 377 A CB -0.728 18.251 19.000 -0.034 0.000 0.805 377 A HN 0.198 nan 8.150 nan 0.000 0.460 378 N N -0.605 118.033 118.700 -0.103 0.000 2.732 378 N HA 0.196 4.937 4.740 0.002 0.000 0.230 378 N C -3.383 172.041 175.510 -0.145 0.000 1.487 378 N CA -1.236 51.760 53.050 -0.091 0.000 0.765 378 N CB 1.147 39.603 38.487 -0.052 0.000 1.384 378 N HN 0.043 nan 8.380 nan 0.000 0.530 379 P HA 0.377 nan 4.420 nan 0.000 0.284 379 P C 0.618 177.844 177.300 -0.124 0.000 1.258 379 P CA -0.097 62.828 63.100 -0.291 0.000 0.824 379 P CB 1.242 32.623 31.700 -0.532 0.000 1.038 380 G N 0.705 109.452 108.800 -0.087 0.000 2.553 380 G HA2 0.444 4.405 3.960 0.002 0.000 0.278 380 G HA3 0.444 4.405 3.960 0.002 0.000 0.278 380 G C -0.774 174.232 174.900 0.176 0.000 1.349 380 G CA -0.505 44.649 45.100 0.090 0.000 1.037 380 G HN 0.383 nan 8.290 nan 0.000 0.508 381 V N 0.066 120.102 119.914 0.204 0.000 2.555 381 V HA 0.392 4.513 4.120 0.002 0.000 0.302 381 V C -0.456 175.687 176.094 0.082 0.000 1.038 381 V CA -0.765 61.612 62.300 0.129 0.000 0.887 381 V CB 1.503 33.351 31.823 0.042 0.000 0.991 381 V HN 0.584 nan 8.190 nan 0.000 0.434 382 L N 5.924 127.186 121.223 0.064 0.000 2.264 382 L HA 0.587 4.928 4.340 0.002 0.000 0.289 382 L C -0.362 176.454 176.870 -0.089 0.000 1.044 382 L CA 0.221 55.017 54.840 -0.073 0.000 0.807 382 L CB 1.380 43.455 42.059 0.027 0.000 1.192 382 L HN 0.470 nan 8.230 nan 0.000 0.425 383 V N 6.995 126.820 119.914 -0.149 0.000 2.347 383 V HA 0.437 4.558 4.120 0.002 0.000 0.280 383 V C -0.143 175.884 176.094 -0.112 0.000 1.021 383 V CA -0.532 61.699 62.300 -0.116 0.000 0.847 383 V CB 1.321 33.068 31.823 -0.127 0.000 0.990 383 V HN 0.623 nan 8.190 nan 0.000 0.444 384 L N 4.004 125.179 121.223 -0.081 0.000 2.385 384 L HA 0.527 4.868 4.340 0.002 0.000 0.273 384 L C 0.357 177.188 176.870 -0.066 0.000 0.990 384 L CA -0.255 54.545 54.840 -0.066 0.000 0.821 384 L CB 2.347 44.376 42.059 -0.050 0.000 1.279 384 L HN 0.725 nan 8.230 nan 0.000 0.412 385 S N 2.669 118.340 115.700 -0.048 0.000 2.537 385 S HA 0.004 4.475 4.470 0.002 0.000 0.286 385 S C 1.172 175.693 174.600 -0.132 0.000 1.299 385 S CA -0.083 58.080 58.200 -0.062 0.000 1.067 385 S CB 0.894 64.114 63.200 0.033 0.000 0.864 385 S HN 0.774 nan 8.310 nan 0.000 0.494 386 Q N 3.342 122.956 119.800 -0.310 0.000 2.439 386 Q HA -0.107 4.234 4.340 0.002 0.000 0.211 386 Q C 0.334 176.097 176.000 -0.394 0.000 0.978 386 Q CA 1.527 57.090 55.803 -0.400 0.000 0.897 386 Q CB -0.393 28.022 28.738 -0.538 0.000 0.956 386 Q HN 0.817 nan 8.270 nan 0.000 0.483 387 F N 0.932 120.894 119.950 0.019 0.000 2.727 387 F HA 0.404 4.932 4.527 0.002 0.000 0.302 387 F C 0.931 176.747 175.800 0.027 0.000 1.097 387 F CA -0.516 57.493 58.000 0.015 0.000 1.330 387 F CB 0.191 39.203 39.000 0.020 0.000 1.084 387 F HN 0.050 nan 8.300 nan 0.000 0.578 388 A N 0.278 123.182 122.820 0.139 0.000 2.328 388 A HA 0.535 4.856 4.320 0.002 0.000 0.284 388 A C 1.773 179.421 177.584 0.106 0.000 1.160 388 A CA 0.212 52.324 52.037 0.125 0.000 0.818 388 A CB 0.229 19.284 19.000 0.091 0.000 1.087 388 A HN 0.416 nan 8.150 nan 0.000 0.504 389 G N 1.951 110.828 108.800 0.128 0.000 2.545 389 G HA2 -0.166 3.795 3.960 0.002 0.000 0.222 389 G HA3 -0.166 3.795 3.960 0.002 0.000 0.222 389 G C 1.526 176.488 174.900 0.103 0.000 1.126 389 G CA 1.539 46.714 45.100 0.126 0.000 0.754 389 G HN 1.338 nan 8.290 nan 0.000 0.583 390 A N 0.936 123.811 122.820 0.092 0.000 2.024 390 A HA 0.252 4.573 4.320 0.002 0.000 0.220 390 A C 2.749 180.360 177.584 0.045 0.000 1.164 390 A CA 2.066 54.144 52.037 0.069 0.000 0.643 390 A CB -0.586 18.449 19.000 0.060 0.000 0.806 390 A HN 0.924 nan 8.150 nan 0.000 0.451 391 A N 0.359 123.199 122.820 0.032 0.000 2.070 391 A HA -0.168 4.153 4.320 0.002 0.000 0.220 391 A C 1.776 179.367 177.584 0.011 0.000 1.159 391 A CA 1.476 53.516 52.037 0.005 0.000 0.656 391 A CB -0.545 18.438 19.000 -0.028 0.000 0.800 391 A HN 0.589 nan 8.150 nan 0.000 0.453 392 N N 0.363 119.083 118.700 0.034 0.000 2.309 392 N HA -0.151 4.590 4.740 0.002 0.000 0.182 392 N C 1.627 177.160 175.510 0.037 0.000 1.018 392 N CA 1.628 54.701 53.050 0.038 0.000 0.876 392 N CB -0.171 38.352 38.487 0.060 0.000 0.972 392 N HN 0.922 nan 8.380 nan 0.000 0.434 393 E N 0.097 120.322 120.200 0.041 0.000 2.399 393 E HA 0.058 4.409 4.350 0.002 0.000 0.205 393 E C 0.604 177.215 176.600 0.017 0.000 0.906 393 E CA -0.033 56.388 56.400 0.035 0.000 0.998 393 E CB -0.124 29.607 29.700 0.052 0.000 1.002 393 E HN 0.148 nan 8.360 nan 0.000 0.501 394 L N 2.621 123.852 121.223 0.014 0.000 2.934 394 L HA 0.190 4.531 4.340 0.002 0.000 0.233 394 L C 1.258 178.126 176.870 -0.003 0.000 1.358 394 L CA -0.155 54.687 54.840 0.004 0.000 1.233 394 L CB 0.040 42.103 42.059 0.007 0.000 1.594 394 L HN 0.108 nan 8.230 nan 0.000 0.439 395 T N -0.959 113.593 114.554 -0.003 0.000 2.977 395 T HA -0.111 4.240 4.350 0.002 0.000 0.271 395 T C 1.709 176.403 174.700 -0.009 0.000 1.105 395 T CA 1.420 63.516 62.100 -0.007 0.000 1.116 395 T CB 0.101 68.967 68.868 -0.004 0.000 0.878 395 T HN 0.431 nan 8.240 nan 0.000 0.509 396 S N 0.603 116.299 115.700 -0.007 0.000 2.556 396 S HA 0.509 4.980 4.470 0.002 0.000 0.216 396 S C 0.867 175.468 174.600 0.001 0.000 0.970 396 S CA -0.321 57.877 58.200 -0.003 0.000 0.912 396 S CB 0.267 63.465 63.200 -0.003 0.000 0.790 396 S HN 0.589 nan 8.310 nan 0.000 0.504 397 A N 1.460 124.278 122.820 -0.002 0.000 2.366 397 A HA 0.459 4.780 4.320 0.002 0.000 0.250 397 A C -0.034 177.541 177.584 -0.016 0.000 1.099 397 A CA -0.295 51.740 52.037 -0.004 0.000 0.794 397 A CB -0.049 18.943 19.000 -0.013 0.000 1.056 397 A HN 0.258 nan 8.150 nan 0.000 0.499 398 L N 2.039 123.248 121.223 -0.024 0.000 2.433 398 L HA 0.154 4.495 4.340 0.002 0.000 0.284 398 L C -0.105 176.738 176.870 -0.046 0.000 1.120 398 L CA 0.161 54.981 54.840 -0.032 0.000 0.879 398 L CB -0.412 41.625 42.059 -0.038 0.000 1.232 398 L HN 0.364 nan 8.230 nan 0.000 0.454 399 I N 5.220 125.762 120.570 -0.047 0.000 2.371 399 I HA 0.350 4.521 4.170 0.002 0.000 0.290 399 I C 0.331 176.405 176.117 -0.072 0.000 1.028 399 I CA -0.250 61.011 61.300 -0.066 0.000 1.345 399 I CB 1.238 39.196 38.000 -0.069 0.000 1.407 399 I HN 0.293 nan 8.210 nan 0.000 0.501 400 V N 3.291 123.152 119.914 -0.088 0.000 3.130 400 V HA 0.552 4.673 4.120 0.002 0.000 0.310 400 V C -0.512 175.517 176.094 -0.107 0.000 1.158 400 V CA -1.064 61.191 62.300 -0.076 0.000 1.029 400 V CB 2.191 33.984 31.823 -0.051 0.000 1.057 400 V HN 0.810 nan 8.190 nan 0.000 0.436 401 N N 3.010 121.677 118.700 -0.054 0.000 2.485 401 N HA 0.455 5.196 4.740 0.002 0.000 0.243 401 N C -1.682 173.887 175.510 0.098 0.000 0.987 401 N CA -1.909 51.151 53.050 0.016 0.000 0.940 401 N CB 1.966 40.503 38.487 0.083 0.000 1.122 401 N HN 0.618 nan 8.380 nan 0.000 0.509 402 P HA -0.157 nan 4.420 nan 0.000 0.223 402 P C 0.172 177.415 177.300 -0.094 0.000 1.144 402 P CA 1.143 64.218 63.100 -0.042 0.000 0.783 402 P CB -0.062 31.566 31.700 -0.122 0.000 0.771 403 Y N -0.350 120.035 120.300 0.141 0.000 2.578 403 Y HA 0.049 4.600 4.550 0.001 0.000 0.297 403 Y C 0.976 176.922 175.900 0.075 0.000 1.176 403 Y CA 0.305 58.463 58.100 0.096 0.000 1.315 403 Y CB -0.219 38.298 38.460 0.095 0.000 1.031 403 Y HN -0.059 nan 8.280 nan 0.000 0.524 404 D N 0.503 121.007 120.400 0.172 0.000 2.438 404 D HA 0.082 4.723 4.640 0.002 0.000 0.257 404 D C 1.166 177.515 176.300 0.082 0.000 1.148 404 D CA -0.409 53.664 54.000 0.121 0.000 0.902 404 D CB 0.538 41.403 40.800 0.107 0.000 1.062 404 D HN 0.237 nan 8.370 nan 0.000 0.518 405 R N 2.362 122.909 120.500 0.078 0.000 2.127 405 R HA -0.136 4.205 4.340 0.002 0.000 0.238 405 R C 0.168 176.510 176.300 0.071 0.000 1.134 405 R CA 0.944 57.084 56.100 0.067 0.000 0.975 405 R CB -0.145 30.199 30.300 0.074 0.000 0.865 405 R HN 0.189 nan 8.270 nan 0.000 0.447 406 D N 1.164 121.612 120.400 0.080 0.000 2.149 406 D HA -0.144 4.497 4.640 0.002 0.000 0.201 406 D C 1.795 178.147 176.300 0.088 0.000 0.972 406 D CA 1.137 55.195 54.000 0.097 0.000 0.835 406 D CB -0.210 40.644 40.800 0.090 0.000 0.966 406 D HN 0.497 nan 8.370 nan 0.000 0.476 407 E N 0.539 120.778 120.200 0.065 0.000 2.077 407 E HA -0.143 4.208 4.350 0.002 0.000 0.193 407 E C 1.993 178.606 176.600 0.023 0.000 0.989 407 E CA 0.792 57.220 56.400 0.046 0.000 0.800 407 E CB 0.237 29.961 29.700 0.039 0.000 0.746 407 E HN 0.012 nan 8.360 nan 0.000 0.452 408 V N 1.126 121.050 119.914 0.018 0.000 2.358 408 V HA -0.230 3.891 4.120 0.002 0.000 0.246 408 V C 2.471 178.547 176.094 -0.030 0.000 1.047 408 V CA 1.665 63.957 62.300 -0.014 0.000 1.035 408 V CB -0.804 31.009 31.823 -0.016 0.000 0.658 408 V HN 0.423 nan 8.190 nan 0.000 0.452 409 A N 0.304 123.125 122.820 0.002 0.000 1.883 409 A HA -0.192 4.129 4.320 0.002 0.000 0.217 409 A C 2.439 179.940 177.584 -0.138 0.000 1.186 409 A CA 2.369 54.389 52.037 -0.030 0.000 0.624 409 A CB -0.893 18.170 19.000 0.105 0.000 0.822 409 A HN 0.586 nan 8.150 nan 0.000 0.444 410 A N -0.353 122.459 122.820 -0.014 0.000 1.933 410 A HA 0.157 4.478 4.320 0.002 0.000 0.218 410 A C 2.480 180.018 177.584 -0.077 0.000 1.175 410 A CA 2.119 54.152 52.037 -0.007 0.000 0.628 410 A CB -0.940 18.126 19.000 0.111 0.000 0.814 410 A HN 1.102 nan 8.150 nan 0.000 0.444 411 A N -0.445 122.338 122.820 -0.062 0.000 1.969 411 A HA 0.049 4.370 4.320 0.002 0.000 0.218 411 A C 2.134 179.654 177.584 -0.107 0.000 1.169 411 A CA 1.277 53.273 52.037 -0.068 0.000 0.635 411 A CB -0.504 18.462 19.000 -0.056 0.000 0.810 411 A HN 0.466 nan 8.150 nan 0.000 0.445 412 L N -0.610 120.527 121.223 -0.145 0.000 2.046 412 L HA -0.204 4.136 4.340 0.002 0.000 0.208 412 L C 2.405 179.144 176.870 -0.219 0.000 1.077 412 L CA 1.890 56.625 54.840 -0.175 0.000 0.747 412 L CB -0.510 41.445 42.059 -0.173 0.000 0.896 412 L HN 0.523 nan 8.230 nan 0.000 0.432 413 D N -0.001 120.219 120.400 -0.300 0.000 2.117 413 D HA -0.239 4.402 4.640 0.002 0.000 0.198 413 D C 2.311 178.551 176.300 -0.100 0.000 0.982 413 D CA 1.138 54.975 54.000 -0.273 0.000 0.828 413 D CB 0.068 40.539 40.800 -0.548 0.000 0.967 413 D HN 0.039 nan 8.370 nan 0.000 0.464 414 R N -0.057 120.397 120.500 -0.078 0.000 2.081 414 R HA -0.111 4.230 4.340 0.002 0.000 0.235 414 R C 2.174 178.457 176.300 -0.028 0.000 1.131 414 R CA 1.491 57.576 56.100 -0.025 0.000 0.960 414 R CB -0.401 29.889 30.300 -0.016 0.000 0.856 414 R HN 0.212 nan 8.270 nan 0.000 0.436 415 A N 1.078 123.866 122.820 -0.053 0.000 1.908 415 A HA -0.141 4.180 4.320 0.002 0.000 0.218 415 A C 2.187 179.750 177.584 -0.034 0.000 1.181 415 A CA 1.386 53.398 52.037 -0.042 0.000 0.627 415 A CB -0.577 18.387 19.000 -0.061 0.000 0.818 415 A HN 0.381 nan 8.150 nan 0.000 0.445 416 L N -0.063 121.119 121.223 -0.067 0.000 2.275 416 L HA -0.042 4.299 4.340 0.002 0.000 0.215 416 L C 1.610 178.485 176.870 0.007 0.000 1.119 416 L CA 1.081 55.886 54.840 -0.059 0.000 0.790 416 L CB -0.648 41.302 42.059 -0.181 0.000 0.919 416 L HN 0.643 nan 8.230 nan 0.000 0.443 420 L N 1.724 122.954 121.223 0.011 0.000 2.093 420 L HA 0.278 4.619 4.340 0.002 0.000 0.208 420 L C 2.686 179.562 176.870 0.010 0.000 1.085 420 L CA 2.759 57.603 54.840 0.007 0.000 0.755 420 L CB -1.286 40.776 42.059 0.004 0.000 0.904 420 L HN 1.009 nan 8.230 nan 0.000 0.435 421 A N -0.884 121.943 122.820 0.012 0.000 1.877 421 A HA -0.254 4.067 4.320 0.002 0.000 0.216 421 A C 2.353 179.948 177.584 0.019 0.000 1.186 421 A CA 1.781 53.827 52.037 0.014 0.000 0.620 421 A CB -0.713 18.294 19.000 0.012 0.000 0.822 421 A HN 0.590 nan 8.150 nan 0.000 0.443 422 E N -0.395 119.816 120.200 0.018 0.000 2.107 422 E HA -0.166 4.185 4.350 0.002 0.000 0.191 422 E C 2.229 178.848 176.600 0.030 0.000 0.982 422 E CA 0.663 57.076 56.400 0.022 0.000 0.809 422 E CB -0.077 29.634 29.700 0.019 0.000 0.756 422 E HN 0.577 nan 8.360 nan 0.000 0.459 423 R N 0.218 120.736 120.500 0.029 0.000 2.091 423 R HA -0.152 4.189 4.340 0.002 0.000 0.238 423 R C 2.315 178.648 176.300 0.055 0.000 1.136 423 R CA 1.316 57.439 56.100 0.038 0.000 0.959 423 R CB -0.257 30.055 30.300 0.019 0.000 0.856 423 R HN 0.262 nan 8.270 nan 0.000 0.437 424 I N 0.884 121.478 120.570 0.039 0.000 2.226 424 I HA -0.239 3.932 4.170 0.002 0.000 0.245 424 I C 2.563 178.726 176.117 0.077 0.000 1.100 424 I CA 1.750 63.082 61.300 0.054 0.000 1.374 424 I CB -1.408 36.610 38.000 0.031 0.000 1.057 424 I HN 0.200 nan 8.210 nan 0.000 0.413 425 S N 0.361 116.091 115.700 0.051 0.000 2.425 425 S HA -0.039 4.432 4.470 0.002 0.000 0.225 425 S C 2.117 176.738 174.600 0.036 0.000 1.024 425 S CA 0.214 58.437 58.200 0.037 0.000 0.951 425 S CB -0.300 62.914 63.200 0.023 0.000 0.796 425 S HN 0.341 nan 8.310 nan 0.000 0.498 426 R N 0.257 120.786 120.500 0.048 0.000 2.075 426 R HA -0.051 4.290 4.340 0.002 0.000 0.232 426 R C 2.574 178.905 176.300 0.053 0.000 1.126 426 R CA 1.565 57.691 56.100 0.044 0.000 0.963 426 R CB -0.535 29.796 30.300 0.051 0.000 0.858 426 R HN 0.648 nan 8.270 nan 0.000 0.435 427 H N 0.052 119.122 119.070 0.000 0.000 2.403 427 H HA 0.058 4.615 4.556 0.002 0.000 0.298 427 H C 1.674 176.997 175.328 -0.009 0.000 1.059 427 H CA 1.416 57.461 56.048 -0.005 0.000 1.363 427 H CB 0.254 30.006 29.762 -0.018 0.000 1.410 427 H HN 0.209 nan 8.280 nan 0.000 0.528 428 A N 0.964 123.770 122.820 -0.024 0.000 1.968 428 A HA -0.073 4.247 4.320 0.002 0.000 0.217 428 A C 1.587 179.117 177.584 -0.090 0.000 1.169 428 A CA 0.430 52.428 52.037 -0.064 0.000 0.638 428 A CB -0.330 18.683 19.000 0.022 0.000 0.812 428 A HN 0.614 nan 8.150 nan 0.000 0.446 432 D N 0.400 120.736 120.400 -0.108 0.000 2.117 432 D HA -0.131 4.510 4.640 0.002 0.000 0.197 432 D C 1.661 177.933 176.300 -0.047 0.000 0.987 432 D CA 2.098 56.060 54.000 -0.062 0.000 0.829 432 D CB 0.330 41.101 40.800 -0.049 0.000 0.961 432 D HN 0.256 nan 8.370 nan 0.000 0.460 433 V N 2.274 122.161 119.914 -0.045 0.000 2.332 433 V HA -0.244 3.877 4.120 0.002 0.000 0.248 433 V C 2.681 178.767 176.094 -0.014 0.000 1.055 433 V CA 1.903 64.188 62.300 -0.024 0.000 1.038 433 V CB -0.753 31.062 31.823 -0.015 0.000 0.651 433 V HN 0.437 nan 8.190 nan 0.000 0.450 434 I N -2.212 118.346 120.570 -0.021 0.000 2.876 434 I HA -0.026 4.145 4.170 0.002 0.000 0.264 434 I C 2.142 178.261 176.117 0.004 0.000 1.204 434 I CA 1.009 62.309 61.300 -0.000 0.000 1.485 434 I CB -0.360 37.637 38.000 -0.004 0.000 1.103 434 I HN 0.059 nan 8.210 nan 0.000 0.446 435 V N 2.161 122.067 119.914 -0.014 0.000 2.379 435 V HA -0.162 3.959 4.120 0.002 0.000 0.245 435 V C 2.645 178.731 176.094 -0.013 0.000 1.044 435 V CA 1.748 64.043 62.300 -0.007 0.000 1.036 435 V CB -0.771 31.042 31.823 -0.016 0.000 0.664 435 V HN 0.412 nan 8.190 nan 0.000 0.453 436 K N 0.238 120.616 120.400 -0.036 0.000 2.097 436 K HA -0.084 4.237 4.320 0.002 0.000 0.205 436 K C 1.313 177.839 176.600 -0.124 0.000 1.050 436 K CA 0.832 57.068 56.287 -0.086 0.000 0.938 436 K CB -0.334 32.111 32.500 -0.092 0.000 0.718 436 K HN 0.357 nan 8.250 nan 0.000 0.442 437 N N 2.243 120.929 118.700 -0.022 0.000 2.635 437 N HA -0.024 4.717 4.740 0.002 0.000 0.307 437 N C -0.774 174.823 175.510 0.145 0.000 1.433 437 N CA -0.040 53.061 53.050 0.084 0.000 0.973 437 N CB 0.218 38.786 38.487 0.135 0.000 1.304 437 N HN 0.102 nan 8.380 nan 0.000 0.507 438 D N 1.081 121.556 120.400 0.124 0.000 2.860 438 D HA -0.209 4.432 4.640 0.002 0.000 0.210 438 D C 1.562 177.981 176.300 0.198 0.000 1.139 438 D CA 0.410 54.495 54.000 0.143 0.000 0.821 438 D CB 1.134 42.029 40.800 0.158 0.000 1.196 438 D HN 0.273 nan 8.370 nan 0.000 0.522 439 I N 3.708 124.358 120.570 0.133 0.000 2.335 439 I HA -0.272 3.899 4.170 0.002 0.000 0.251 439 I C 1.926 178.199 176.117 0.259 0.000 1.129 439 I CA 1.419 62.810 61.300 0.150 0.000 1.402 439 I CB -0.335 37.691 38.000 0.043 0.000 1.069 439 I HN 0.440 nan 8.210 nan 0.000 0.424 440 N N -0.378 118.443 118.700 0.201 0.000 2.120 440 N HA -0.301 4.440 4.740 0.002 0.000 0.188 440 N C 2.124 177.774 175.510 0.233 0.000 1.024 440 N CA 1.824 54.989 53.050 0.191 0.000 0.852 440 N CB -0.293 38.278 38.487 0.140 0.000 1.003 440 N HN 0.541 nan 8.380 nan 0.000 0.424 441 H N -1.261 117.910 119.070 0.168 0.000 2.319 441 H HA -0.120 4.437 4.556 0.002 0.000 0.299 441 H C 1.663 177.139 175.328 0.246 0.000 1.092 441 H CA 2.285 58.438 56.048 0.175 0.000 1.302 441 H CB -0.651 29.206 29.762 0.158 0.000 1.373 441 H HN 0.462 nan 8.280 nan 0.000 0.497 442 W N 1.663 123.013 121.300 0.082 0.000 2.311 442 W HA -0.290 4.371 4.660 0.001 0.000 0.326 442 W C 2.720 179.249 176.519 0.016 0.000 1.239 442 W CA 2.498 59.874 57.345 0.052 0.000 1.258 442 W CB -0.789 28.699 29.460 0.048 0.000 1.165 442 W HN 0.313 nan 8.180 nan 0.000 0.466 443 Q N 0.787 120.697 119.800 0.184 0.000 2.045 443 Q HA -0.288 4.053 4.340 0.002 0.000 0.206 443 Q C 2.001 177.950 176.000 -0.085 0.000 0.991 443 Q CA 2.601 58.430 55.803 0.044 0.000 0.851 443 Q CB -0.865 28.007 28.738 0.224 0.000 0.911 443 Q HN 0.564 nan 8.270 nan 0.000 0.418 444 E N -0.678 119.503 120.200 -0.033 0.000 2.051 444 E HA -0.166 4.185 4.350 0.002 0.000 0.192 444 E C 2.288 178.804 176.600 -0.141 0.000 0.991 444 E CA 1.408 57.769 56.400 -0.065 0.000 0.799 444 E CB -0.065 29.628 29.700 -0.012 0.000 0.748 444 E HN 0.454 nan 8.360 nan 0.000 0.449 445 C N 0.081 119.265 119.300 -0.194 0.000 2.446 445 C HA -0.108 4.353 4.460 0.002 0.000 0.277 445 C C 2.368 177.262 174.990 -0.159 0.000 1.275 445 C CA 0.237 59.175 59.018 -0.133 0.000 1.727 445 C CB -0.968 26.729 27.740 -0.071 0.000 2.010 445 C HN 0.421 nan 8.230 nan 0.000 0.486 446 F N 1.570 121.131 119.950 -0.648 0.000 2.075 446 F HA -0.104 4.424 4.527 0.002 0.000 0.297 446 F C 2.240 177.555 175.800 -0.809 0.000 1.113 446 F CA 1.686 59.016 58.000 -1.116 0.000 1.218 446 F CB -0.244 37.654 39.000 -1.837 0.000 0.984 446 F HN 0.035 nan 8.300 nan 0.000 0.472 447 I N -0.105 120.213 120.570 -0.421 0.000 2.163 447 I HA -0.302 3.869 4.170 0.002 0.000 0.243 447 I C 2.746 178.713 176.117 -0.250 0.000 1.085 447 I CA 1.782 62.900 61.300 -0.302 0.000 1.347 447 I CB -1.929 35.973 38.000 -0.164 0.000 1.044 447 I HN 0.292 nan 8.210 nan 0.000 0.408 448 S N 0.940 116.520 115.700 -0.199 0.000 2.359 448 S HA -0.229 4.242 4.470 0.002 0.000 0.224 448 S C 1.730 176.228 174.600 -0.169 0.000 1.035 448 S CA 1.952 60.066 58.200 -0.144 0.000 1.018 448 S CB -0.235 62.907 63.200 -0.097 0.000 0.876 448 S HN 0.374 nan 8.310 nan 0.000 0.448 449 D N 0.932 121.198 120.400 -0.224 0.000 2.117 449 D HA -0.063 4.578 4.640 0.002 0.000 0.197 449 D C 1.921 178.052 176.300 -0.282 0.000 0.987 449 D CA 0.952 54.816 54.000 -0.225 0.000 0.829 449 D CB -0.636 40.037 40.800 -0.211 0.000 0.961 449 D HN 0.349 nan 8.370 nan 0.000 0.460 450 L N 1.277 122.241 121.223 -0.431 0.000 2.012 450 L HA -0.148 4.193 4.340 0.002 0.000 0.210 450 L C 1.873 178.637 176.870 -0.177 0.000 1.073 450 L CA 1.829 56.463 54.840 -0.343 0.000 0.748 450 L CB -0.411 41.404 42.059 -0.408 0.000 0.891 450 L HN -0.115 nan 8.230 nan 0.000 0.431 451 K N -1.150 119.158 120.400 -0.154 0.000 2.280 451 K HA -0.165 4.156 4.320 0.002 0.000 0.202 451 K C 1.990 178.545 176.600 -0.074 0.000 1.047 451 K CA 0.986 57.218 56.287 -0.091 0.000 0.942 451 K CB -0.069 32.384 32.500 -0.078 0.000 0.739 451 K HN 0.490 nan 8.250 nan 0.000 0.457 452 Q N 0.460 120.206 119.800 -0.090 0.000 2.451 452 Q HA 0.086 4.427 4.340 0.002 0.000 0.206 452 Q C 0.430 176.396 176.000 -0.057 0.000 0.947 452 Q CA 0.082 55.844 55.803 -0.068 0.000 0.937 452 Q CB 0.289 28.983 28.738 -0.073 0.000 1.025 452 Q HN 0.354 nan 8.270 nan 0.000 0.511 453 I N -0.304 120.231 120.570 -0.059 0.000 2.488 453 I HA 0.235 4.405 4.170 0.002 0.000 0.299 453 I C -0.168 175.937 176.117 -0.020 0.000 0.984 453 I CA -1.021 60.258 61.300 -0.035 0.000 1.250 453 I CB 1.312 39.295 38.000 -0.027 0.000 1.389 453 I HN -0.226 nan 8.210 nan 0.000 0.488 454 V N 5.124 125.033 119.914 -0.009 0.000 2.498 454 V HA 0.598 4.719 4.120 0.002 0.000 0.279 454 V C -2.186 173.914 176.094 0.009 0.000 1.048 454 V CA -1.275 61.023 62.300 -0.003 0.000 0.967 454 V CB 0.239 32.060 31.823 -0.003 0.000 0.988 454 V HN 0.749 nan 8.190 nan 0.000 0.473 455 P HA 0.301 nan 4.420 nan 0.000 0.274 455 P C 0.046 177.357 177.300 0.018 0.000 1.237 455 P CA -0.614 62.496 63.100 0.018 0.000 0.793 455 P CB 0.716 32.425 31.700 0.013 0.000 0.977 456 R N 0.000 120.514 120.500 0.024 0.000 2.786 456 R HA 0.000 4.341 4.340 0.002 0.000 0.208 456 R CA 0.000 56.113 56.100 0.022 0.000 0.921 456 R CB 0.000 30.316 30.300 0.026 0.000 0.687 456 R HN 0.000 nan 8.270 nan 0.000 0.535