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 3hbb_1_C DATA FIRST_RESID 1 DATA SEQUENCE MSLFKIRMPE TVAEGTRLAL RAFSLVVAVD ERGGIGDGRS IPWNVPEDMK DATA SEQUENCE FFRDVTTKLR GKNVKPSPAK RNAVVMGRKT WDSIPPKFRP LPGRLNVVLS DATA SEQUENCE STLTTQHLLD GLPDEXXXXX HADSIVAVNG GLEQALQLLA SPNYTPSIET DATA SEQUENCE VYCIGGGSVY AEALRPPCVH LLQAIYRTTI RASESSCSVF FRVPESGTEA DATA SEQUENCE AAGIEWQRET ISEELTSANG NETKYYFEKL IPRNREEEQY LSLVDRIIRE DATA SEQUENCE GNVKHDRTGV GTLSIFGAQM RFSLRNNRLP LLTTKRVFWR GVCEELLWFL DATA SEQUENCE RGETYAKKLS DKGVHIWDDN GSRAFLDSRG LTEYEEMDLG PVYGFQWRHF DATA SEQUENCE GAAYTHHDAN YDGQGVDQIK AIVETLKTNP DDRRMLFTAW NPSALPRMAL DATA SEQUENCE PPCHLLAQFY VSNGELSCML YQRSCDMGLG VPFNIASYAL LTILIAKATG DATA SEQUENCE LRPGELVHTL GDAHVYSNHV EPCNEQLKRV PRAFPYLVFR REREFLEDYE DATA SEQUENCE EGDMEVIDYA PYPPI 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.150 176.300 -0.249 0.000 1.140 1 M CA 0.000 55.208 55.300 -0.154 0.000 0.988 1 M CB 0.000 32.567 32.600 -0.055 0.000 1.302 2 S N 0.360 115.993 115.700 -0.111 0.000 3.278 2 S HA -0.125 4.346 4.470 0.001 0.000 0.857 2 S C 0.271 174.741 174.600 -0.217 0.000 1.108 2 S CA 0.503 58.669 58.200 -0.056 0.000 1.109 2 S CB -1.001 62.295 63.200 0.160 0.000 0.774 2 S HN 1.020 nan 8.310 nan 0.000 0.261 3 L N -0.811 120.181 121.223 -0.385 0.000 2.675 3 L HA 0.410 4.750 4.340 0.001 0.000 0.239 3 L C 0.961 177.508 176.870 -0.539 0.000 1.151 3 L CA 0.785 55.352 54.840 -0.456 0.000 0.905 3 L CB -0.547 41.205 42.059 -0.511 0.000 1.057 3 L HN 0.534 nan 8.230 nan 0.000 0.435 4 F N -0.453 119.456 119.950 -0.069 0.000 2.678 4 F HA 0.306 4.834 4.527 0.001 0.000 0.291 4 F C 1.573 177.337 175.800 -0.060 0.000 1.123 4 F CA -0.411 57.562 58.000 -0.046 0.000 1.395 4 F CB -0.060 38.926 39.000 -0.024 0.000 1.121 4 F HN -0.046 nan 8.300 nan 0.000 0.592 5 K N 0.946 121.350 120.400 0.007 0.000 2.136 5 K HA 0.362 4.682 4.320 0.001 0.000 0.237 5 K C -0.336 176.323 176.600 0.098 0.000 1.048 5 K CA -0.173 56.095 56.287 -0.030 0.000 0.880 5 K CB 0.605 32.895 32.500 -0.349 0.000 1.105 5 K HN -0.047 nan 8.250 nan 0.000 0.507 6 I N 1.403 122.090 120.570 0.195 0.000 2.355 6 I HA 0.217 4.387 4.170 0.001 0.000 0.288 6 I C 0.107 176.417 176.117 0.322 0.000 0.999 6 I CA -0.577 60.844 61.300 0.202 0.000 1.163 6 I CB 1.493 39.557 38.000 0.108 0.000 1.316 6 I HN 0.384 nan 8.210 nan 0.000 0.454 7 R N 7.015 127.663 120.500 0.246 0.000 2.267 7 R HA 0.345 4.685 4.340 0.001 0.000 0.319 7 R C -0.374 175.911 176.300 -0.025 0.000 1.067 7 R CA -0.663 55.468 56.100 0.051 0.000 0.936 7 R CB 0.613 30.911 30.300 -0.002 0.000 1.006 7 R HN 0.476 nan 8.270 nan 0.000 0.452 8 M N 6.410 125.964 119.600 -0.076 0.000 2.228 8 M HA 0.199 4.680 4.480 0.001 0.000 0.351 8 M C -1.815 174.439 176.300 -0.077 0.000 1.233 8 M CA -2.265 53.011 55.300 -0.040 0.000 1.129 8 M CB 0.333 32.941 32.600 0.013 0.000 1.604 8 M HN 0.508 nan 8.290 nan 0.000 0.457 9 P HA 0.087 nan 4.420 nan 0.000 0.275 9 P C 0.472 177.737 177.300 -0.058 0.000 1.266 9 P CA -0.170 62.896 63.100 -0.058 0.000 0.793 9 P CB 0.319 31.990 31.700 -0.048 0.000 1.074 10 E N 0.013 120.181 120.200 -0.052 0.000 2.265 10 E HA -0.133 4.218 4.350 0.001 0.000 0.196 10 E C 0.906 177.484 176.600 -0.036 0.000 0.996 10 E CA 1.770 58.143 56.400 -0.045 0.000 0.832 10 E CB -1.656 28.021 29.700 -0.038 0.000 0.756 10 E HN 0.528 nan 8.360 nan 0.000 0.491 11 T N -1.572 112.960 114.554 -0.036 0.000 3.206 11 T HA 0.247 4.597 4.350 0.001 0.000 0.253 11 T C 1.560 176.237 174.700 -0.038 0.000 1.042 11 T CA 0.318 62.399 62.100 -0.032 0.000 0.931 11 T CB 0.287 69.137 68.868 -0.030 0.000 1.029 11 T HN 0.024 nan 8.240 nan 0.000 0.564 12 V N 1.838 121.726 119.914 -0.043 0.000 2.282 12 V HA -0.180 3.941 4.120 0.001 0.000 0.249 12 V C 2.741 178.792 176.094 -0.070 0.000 1.057 12 V CA 2.409 64.675 62.300 -0.058 0.000 1.032 12 V CB -1.152 30.651 31.823 -0.033 0.000 0.645 12 V HN 0.668 nan 8.190 nan 0.000 0.447 13 A N -1.163 121.635 122.820 -0.036 0.000 2.014 13 A HA -0.079 4.242 4.320 0.001 0.000 0.218 13 A C 2.043 179.622 177.584 -0.009 0.000 1.163 13 A CA 1.225 53.252 52.037 -0.018 0.000 0.652 13 A CB -0.448 18.559 19.000 0.012 0.000 0.808 13 A HN 0.607 nan 8.150 nan 0.000 0.449 14 E N 0.617 120.809 120.200 -0.013 0.000 2.058 14 E HA -0.091 4.259 4.350 0.001 0.000 0.194 14 E C 1.415 178.014 176.600 -0.000 0.000 0.997 14 E CA 0.936 57.334 56.400 -0.004 0.000 0.801 14 E CB -1.034 28.662 29.700 -0.007 0.000 0.746 14 E HN 0.485 nan 8.360 nan 0.000 0.450 15 G N 0.521 109.311 108.800 -0.016 0.000 2.483 15 G HA2 0.197 4.158 3.960 0.001 0.000 0.248 15 G HA3 0.197 4.158 3.960 0.001 0.000 0.248 15 G C 0.434 175.331 174.900 -0.005 0.000 1.248 15 G CA 0.884 45.978 45.100 -0.011 0.000 0.838 15 G HN 0.277 nan 8.290 nan 0.000 0.566 16 T N -1.880 112.694 114.554 0.034 0.000 6.157 16 T HA -0.292 4.058 4.350 0.001 0.000 0.281 16 T C 0.645 175.412 174.700 0.112 0.000 2.039 16 T CA 1.496 63.648 62.100 0.087 0.000 3.312 16 T CB -1.793 67.134 68.868 0.098 0.000 1.589 16 T HN 0.970 nan 8.240 nan 0.000 1.129 17 R N 1.140 121.684 120.500 0.074 0.000 2.248 17 R HA 0.516 4.857 4.340 0.001 0.000 0.328 17 R C 0.606 176.946 176.300 0.067 0.000 1.067 17 R CA -0.823 55.321 56.100 0.073 0.000 0.924 17 R CB 0.282 30.612 30.300 0.050 0.000 1.013 17 R HN 0.580 nan 8.270 nan 0.000 0.454 18 L N 5.164 126.427 121.223 0.066 0.000 2.597 18 L HA -0.014 4.327 4.340 0.001 0.000 0.271 18 L C 1.109 177.993 176.870 0.023 0.000 1.157 18 L CA 0.240 55.103 54.840 0.040 0.000 0.928 18 L CB 0.861 42.930 42.059 0.017 0.000 1.216 18 L HN 0.954 nan 8.230 nan 0.000 0.481 19 A N 6.573 129.407 122.820 0.024 0.000 1.840 19 A HA 0.119 4.440 4.320 0.001 0.000 0.214 19 A C 0.750 178.335 177.584 0.001 0.000 1.198 19 A CA 0.854 52.903 52.037 0.020 0.000 0.608 19 A CB 0.091 19.112 19.000 0.034 0.000 0.839 19 A HN 0.630 nan 8.150 nan 0.000 0.443 20 L N -1.618 119.598 121.223 -0.011 0.000 2.371 20 L HA 0.563 4.904 4.340 0.001 0.000 0.262 20 L C -0.298 176.524 176.870 -0.080 0.000 1.006 20 L CA -1.126 53.695 54.840 -0.032 0.000 0.818 20 L CB 1.929 43.988 42.059 -0.000 0.000 1.354 20 L HN 0.211 nan 8.230 nan 0.000 0.415 21 R N 1.679 122.130 120.500 -0.083 0.000 2.357 21 R HA 0.648 4.989 4.340 0.001 0.000 0.296 21 R C -0.303 175.967 176.300 -0.049 0.000 1.052 21 R CA -0.013 56.019 56.100 -0.112 0.000 0.988 21 R CB 1.296 31.552 30.300 -0.072 0.000 1.025 21 R HN 0.719 nan 8.270 nan 0.000 0.469 22 A N 3.835 126.557 122.820 -0.163 0.000 2.406 22 A HA 0.462 4.782 4.320 0.001 0.000 0.243 22 A C -0.634 177.083 177.584 0.222 0.000 1.082 22 A CA 0.085 52.140 52.037 0.029 0.000 0.786 22 A CB -0.186 18.786 19.000 -0.047 0.000 1.029 22 A HN 0.712 nan 8.150 nan 0.000 0.495 23 F N -1.266 118.682 119.950 -0.002 0.000 2.711 23 F HA 0.783 5.310 4.527 0.001 0.000 0.313 23 F C -0.355 175.465 175.800 0.034 0.000 1.141 23 F CA -0.966 57.018 58.000 -0.026 0.000 0.941 23 F CB 0.751 39.746 39.000 -0.009 0.000 1.349 23 F HN 0.406 nan 8.300 nan 0.000 0.464 24 S N 0.932 116.599 115.700 -0.055 0.000 2.739 24 S HA 0.822 5.293 4.470 0.001 0.000 0.306 24 S C -1.519 173.246 174.600 0.275 0.000 1.115 24 S CA -0.803 57.407 58.200 0.017 0.000 0.985 24 S CB 1.913 65.225 63.200 0.187 0.000 1.133 24 S HN 0.825 nan 8.310 nan 0.000 0.541 25 L N 1.537 122.955 121.223 0.325 0.000 2.386 25 L HA 0.757 5.098 4.340 0.001 0.000 0.271 25 L C -1.801 175.311 176.870 0.404 0.000 0.993 25 L CA -0.554 54.514 54.840 0.380 0.000 0.819 25 L CB 1.611 43.825 42.059 0.259 0.000 1.294 25 L HN 0.432 nan 8.230 nan 0.000 0.414 26 V N 5.433 125.571 119.914 0.374 0.000 2.443 26 V HA 0.621 4.741 4.120 0.001 0.000 0.293 26 V C -0.577 175.656 176.094 0.233 0.000 1.021 26 V CA -0.547 61.941 62.300 0.313 0.000 0.848 26 V CB 1.727 33.685 31.823 0.226 0.000 0.998 26 V HN 0.530 nan 8.190 nan 0.000 0.424 27 V N 3.975 123.916 119.914 0.045 0.000 3.078 27 V HA 0.995 5.115 4.120 0.001 0.000 0.311 27 V C -0.740 175.344 176.094 -0.016 0.000 1.138 27 V CA -0.230 61.974 62.300 -0.160 0.000 1.007 27 V CB 2.527 33.750 31.823 -1.000 0.000 1.045 27 V HN 1.109 nan 8.190 nan 0.000 0.432 28 A N 4.023 126.859 122.820 0.026 0.000 2.343 28 A HA 0.884 5.204 4.320 0.001 0.000 0.308 28 A C -0.832 176.834 177.584 0.137 0.000 1.092 28 A CA -0.060 52.033 52.037 0.093 0.000 0.751 28 A CB 1.534 20.670 19.000 0.227 0.000 1.203 28 A HN 1.893 nan 8.150 nan 0.000 0.452 29 V N 0.014 119.906 119.914 -0.037 0.000 3.126 29 V HA 0.875 4.995 4.120 0.001 0.000 0.314 29 V C -0.438 175.407 176.094 -0.415 0.000 1.138 29 V CA -0.749 61.520 62.300 -0.053 0.000 1.034 29 V CB 1.844 33.673 31.823 0.010 0.000 1.075 29 V HN 0.930 nan 8.190 nan 0.000 0.442 30 D N -0.028 120.125 120.400 -0.412 0.000 2.539 30 D HA 0.277 4.917 4.640 0.001 0.000 0.276 30 D C 0.598 176.777 176.300 -0.201 0.000 1.206 30 D CA -0.440 53.276 54.000 -0.473 0.000 1.081 30 D CB 0.761 41.308 40.800 -0.421 0.000 1.142 30 D HN 0.666 nan 8.370 nan 0.000 0.595 31 E N -1.487 118.630 120.200 -0.139 0.000 2.478 31 E HA -0.035 4.315 4.350 0.001 0.000 0.198 31 E C 1.405 178.017 176.600 0.019 0.000 1.046 31 E CA 0.272 56.646 56.400 -0.043 0.000 0.870 31 E CB 0.127 29.813 29.700 -0.024 0.000 0.818 31 E HN 0.262 nan 8.360 nan 0.000 0.527 32 R N -0.861 119.666 120.500 0.045 0.000 2.432 32 R HA 0.067 4.407 4.340 0.001 0.000 0.260 32 R C 0.861 177.306 176.300 0.242 0.000 0.935 32 R CA 0.576 56.763 56.100 0.144 0.000 1.080 32 R CB 0.547 30.957 30.300 0.184 0.000 1.155 32 R HN 0.231 nan 8.270 nan 0.000 0.531 33 G N -0.399 108.488 108.800 0.144 0.000 2.179 33 G HA2 -0.270 3.691 3.960 0.001 0.000 0.260 33 G HA3 -0.270 3.691 3.960 0.001 0.000 0.260 33 G C 0.368 175.356 174.900 0.147 0.000 0.977 33 G CA -0.004 45.213 45.100 0.195 0.000 0.641 33 G HN 0.537 nan 8.290 nan 0.000 0.533 34 G N 0.014 108.756 108.800 -0.096 0.000 2.432 34 G HA2 0.544 4.505 3.960 0.001 0.000 0.239 34 G HA3 0.544 4.505 3.960 0.001 0.000 0.239 34 G C 1.127 176.048 174.900 0.034 0.000 1.291 34 G CA 0.170 45.005 45.100 -0.441 0.000 0.863 34 G HN 1.251 nan 8.290 nan 0.000 0.560 35 I N -0.291 120.287 120.570 0.013 0.000 4.312 35 I HA 0.572 4.742 4.170 0.001 0.000 0.324 35 I C 0.795 176.874 176.117 -0.063 0.000 1.298 35 I CA 0.019 61.414 61.300 0.158 0.000 1.231 35 I CB 0.694 38.796 38.000 0.169 0.000 1.152 35 I HN 0.663 nan 8.210 nan 0.000 0.421 36 G N 1.645 110.358 108.800 -0.145 0.000 2.489 36 G HA2 0.230 4.190 3.960 0.001 0.000 0.291 36 G HA3 0.230 4.190 3.960 0.001 0.000 0.291 36 G C -1.169 173.632 174.900 -0.164 0.000 1.487 36 G CA 0.135 45.097 45.100 -0.230 0.000 0.795 36 G HN 0.151 nan 8.290 nan 0.000 0.513 37 D N -1.170 119.134 120.400 -0.159 0.000 2.352 37 D HA 0.329 4.969 4.640 0.001 0.000 0.232 37 D C 1.689 177.955 176.300 -0.056 0.000 1.055 37 D CA 1.044 54.987 54.000 -0.095 0.000 0.891 37 D CB 0.093 40.839 40.800 -0.090 0.000 0.897 37 D HN 1.809 nan 8.370 nan 0.000 0.529 38 G N 0.299 109.066 108.800 -0.056 0.000 2.234 38 G HA2 -0.313 3.647 3.960 0.001 0.000 0.235 38 G HA3 -0.313 3.647 3.960 0.001 0.000 0.235 38 G C 1.352 176.230 174.900 -0.037 0.000 0.997 38 G CA 0.216 45.301 45.100 -0.025 0.000 0.623 38 G HN 0.332 nan 8.290 nan 0.000 0.514 39 R N 0.225 120.688 120.500 -0.061 0.000 2.320 39 R HA 0.413 4.753 4.340 0.001 0.000 0.193 39 R C 1.195 177.439 176.300 -0.094 0.000 0.885 39 R CA 1.428 57.490 56.100 -0.063 0.000 1.085 39 R CB -0.282 29.986 30.300 -0.053 0.000 1.253 39 R HN 1.109 nan 8.270 nan 0.000 0.636 40 S N 0.689 116.310 115.700 -0.132 0.000 2.607 40 S HA 0.553 5.024 4.470 0.001 0.000 0.273 40 S C -0.102 174.328 174.600 -0.282 0.000 1.148 40 S CA -1.081 57.010 58.200 -0.182 0.000 0.833 40 S CB 1.441 64.543 63.200 -0.164 0.000 1.130 40 S HN 0.198 nan 8.310 nan 0.000 0.470 41 I N -0.196 120.154 120.570 -0.367 0.000 2.598 41 I HA 0.340 4.511 4.170 0.001 0.000 0.284 41 I C -1.897 173.830 176.117 -0.650 0.000 1.140 41 I CA -1.377 59.542 61.300 -0.634 0.000 1.420 41 I CB -0.211 37.404 38.000 -0.640 0.000 1.387 41 I HN 0.429 nan 8.210 nan 0.000 0.553 42 P HA 0.019 nan 4.420 nan 0.000 0.216 42 P C -0.238 176.885 177.300 -0.295 0.000 1.156 42 P CA 0.590 63.425 63.100 -0.441 0.000 0.855 42 P CB -0.102 31.426 31.700 -0.286 0.000 0.786 43 W N 0.900 122.153 121.300 -0.078 0.000 2.161 43 W HA 0.411 5.071 4.660 0.001 0.000 0.344 43 W C 0.001 176.466 176.519 -0.091 0.000 1.262 43 W CA -0.825 56.473 57.345 -0.079 0.000 1.270 43 W CB -0.306 29.104 29.460 -0.084 0.000 1.126 43 W HN -0.164 nan 8.180 nan 0.000 0.598 44 N N 1.306 120.106 118.700 0.166 0.000 2.573 44 N HA 0.365 5.106 4.740 0.001 0.000 0.262 44 N C -2.119 173.422 175.510 0.052 0.000 1.029 44 N CA -0.451 52.632 53.050 0.056 0.000 0.882 44 N CB 1.251 39.734 38.487 -0.007 0.000 1.204 44 N HN 0.432 nan 8.380 nan 0.000 0.519 45 V N 5.801 125.741 119.914 0.043 0.000 2.340 45 V HA 0.301 4.421 4.120 0.001 0.000 0.277 45 V C -1.647 174.389 176.094 -0.096 0.000 1.017 45 V CA -1.402 60.853 62.300 -0.075 0.000 0.820 45 V CB 1.532 33.243 31.823 -0.188 0.000 1.028 45 V HN 0.566 nan 8.190 nan 0.000 0.436 46 P HA -0.149 nan 4.420 nan 0.000 0.216 46 P C 1.340 178.619 177.300 -0.036 0.000 1.150 46 P CA 1.196 64.264 63.100 -0.052 0.000 0.843 46 P CB 0.488 32.167 31.700 -0.035 0.000 0.787 47 E N -0.753 119.397 120.200 -0.082 0.000 2.160 47 E HA -0.208 4.143 4.350 0.001 0.000 0.195 47 E C 1.730 178.395 176.600 0.108 0.000 0.991 47 E CA 1.409 57.806 56.400 -0.004 0.000 0.810 47 E CB -0.807 28.845 29.700 -0.081 0.000 0.742 47 E HN 0.372 nan 8.360 nan 0.000 0.466 48 D N -0.609 119.789 120.400 -0.003 0.000 2.123 48 D HA -0.140 4.500 4.640 0.001 0.000 0.200 48 D C 1.692 178.131 176.300 0.231 0.000 0.976 48 D CA 1.013 55.131 54.000 0.196 0.000 0.831 48 D CB 0.100 40.943 40.800 0.071 0.000 0.974 48 D HN -0.028 nan 8.370 nan 0.000 0.469 49 M N 0.531 120.193 119.600 0.102 0.000 2.108 49 M HA -0.128 4.353 4.480 0.001 0.000 0.261 49 M C 2.185 178.565 176.300 0.132 0.000 1.066 49 M CA 1.279 56.629 55.300 0.083 0.000 1.107 49 M CB -1.009 31.577 32.600 -0.023 0.000 1.356 49 M HN 0.153 nan 8.290 nan 0.000 0.406 50 K N -0.479 119.983 120.400 0.103 0.000 2.026 50 K HA -0.193 4.128 4.320 0.001 0.000 0.208 50 K C 2.072 178.706 176.600 0.057 0.000 1.048 50 K CA 1.346 57.675 56.287 0.071 0.000 0.929 50 K CB -0.301 32.243 32.500 0.073 0.000 0.713 50 K HN 0.175 nan 8.250 nan 0.000 0.439 51 F N 1.011 120.939 119.950 -0.036 0.000 2.134 51 F HA -0.224 4.303 4.527 0.001 0.000 0.299 51 F C 1.998 177.716 175.800 -0.138 0.000 1.097 51 F CA 1.501 59.402 58.000 -0.166 0.000 1.264 51 F CB -0.556 38.254 39.000 -0.317 0.000 1.001 51 F HN 0.082 nan 8.300 nan 0.000 0.479 52 F N 1.378 121.273 119.950 -0.092 0.000 2.095 52 F HA -0.215 4.312 4.527 0.001 0.000 0.298 52 F C 2.716 178.338 175.800 -0.297 0.000 1.104 52 F CA 2.277 60.159 58.000 -0.197 0.000 1.232 52 F CB -0.678 38.290 39.000 -0.053 0.000 0.987 52 F HN -0.018 nan 8.300 nan 0.000 0.475 53 R N 0.358 120.761 120.500 -0.161 0.000 2.083 53 R HA -0.182 4.159 4.340 0.001 0.000 0.237 53 R C 1.927 177.996 176.300 -0.385 0.000 1.137 53 R CA 2.286 58.237 56.100 -0.248 0.000 0.951 53 R CB -0.691 29.570 30.300 -0.064 0.000 0.851 53 R HN 0.254 nan 8.270 nan 0.000 0.434 54 D N -0.032 120.140 120.400 -0.379 0.000 2.097 54 D HA -0.141 4.500 4.640 0.001 0.000 0.197 54 D C 1.879 177.852 176.300 -0.546 0.000 0.984 54 D CA 1.282 55.049 54.000 -0.387 0.000 0.826 54 D CB -0.400 40.209 40.800 -0.319 0.000 0.973 54 D HN 0.144 nan 8.370 nan 0.000 0.460 55 V N 1.129 120.537 119.914 -0.844 0.000 2.626 55 V HA -0.174 3.946 4.120 0.001 0.000 0.252 55 V C 2.287 177.758 176.094 -1.038 0.000 1.067 55 V CA 2.451 64.160 62.300 -0.985 0.000 1.081 55 V CB -0.447 30.509 31.823 -1.444 0.000 0.686 55 V HN 0.384 nan 8.190 nan 0.000 0.468 56 T N -5.029 108.890 114.554 -1.059 0.000 3.051 56 T HA -0.027 4.324 4.350 0.001 0.000 0.255 56 T C 1.592 176.017 174.700 -0.458 0.000 1.085 56 T CA 1.136 62.614 62.100 -1.038 0.000 1.109 56 T CB 0.030 68.256 68.868 -1.070 0.000 0.921 56 T HN 0.453 nan 8.240 nan 0.000 0.488 57 T N 1.345 115.674 114.554 -0.376 0.000 2.953 57 T HA 0.192 4.542 4.350 0.001 0.000 0.247 57 T C 0.813 175.436 174.700 -0.128 0.000 1.029 57 T CA 0.202 62.186 62.100 -0.194 0.000 1.144 57 T CB -0.010 68.761 68.868 -0.163 0.000 0.870 57 T HN 0.357 nan 8.240 nan 0.000 0.446 58 K N 1.509 121.811 120.400 -0.163 0.000 2.469 58 K HA 0.287 4.608 4.320 0.001 0.000 0.274 58 K C -0.608 175.960 176.600 -0.054 0.000 0.983 58 K CA 0.270 56.493 56.287 -0.107 0.000 0.974 58 K CB 0.335 32.754 32.500 -0.135 0.000 0.913 58 K HN 0.210 nan 8.250 nan 0.000 0.493 59 L N 2.202 123.406 121.223 -0.032 0.000 2.333 59 L HA 0.434 4.775 4.340 0.001 0.000 0.269 59 L C 0.338 177.201 176.870 -0.012 0.000 1.010 59 L CA -1.124 53.711 54.840 -0.008 0.000 0.818 59 L CB 1.656 43.715 42.059 0.000 0.000 1.306 59 L HN 0.479 nan 8.230 nan 0.000 0.430 60 R N 1.004 121.502 120.500 -0.004 0.000 2.679 60 R HA 0.437 4.778 4.340 0.001 0.000 0.268 60 R C 0.150 176.448 176.300 -0.003 0.000 1.044 60 R CA 0.489 56.584 56.100 -0.009 0.000 1.105 60 R CB 0.229 30.523 30.300 -0.010 0.000 0.989 60 R HN 0.888 nan 8.270 nan 0.000 0.447 61 G N 1.582 110.379 108.800 -0.005 0.000 2.895 61 G HA2 -0.204 3.757 3.960 0.001 0.000 0.686 61 G HA3 -0.204 3.757 3.960 0.001 0.000 0.686 61 G C 0.378 175.277 174.900 -0.001 0.000 1.108 61 G CA -0.371 44.730 45.100 0.001 0.000 0.761 61 G HN 0.625 nan 8.290 nan 0.000 0.611 62 K N 0.573 120.973 120.400 0.001 0.000 2.031 62 K HA -0.248 4.073 4.320 0.001 0.000 0.228 62 K C 0.848 177.446 176.600 -0.003 0.000 1.050 62 K CA 2.148 58.435 56.287 -0.001 0.000 0.980 62 K CB -0.238 32.263 32.500 0.002 0.000 0.738 62 K HN 0.503 nan 8.250 nan 0.000 0.451 63 N N 0.525 119.224 118.700 -0.001 0.000 2.439 63 N HA 0.103 4.844 4.740 0.001 0.000 0.249 63 N C 0.728 176.236 175.510 -0.003 0.000 1.003 63 N CA -0.090 52.959 53.050 -0.002 0.000 0.942 63 N CB 1.643 40.131 38.487 0.000 0.000 1.115 63 N HN -0.092 nan 8.380 nan 0.000 0.505 64 V N 3.336 123.245 119.914 -0.008 0.000 2.227 64 V HA -0.177 3.944 4.120 0.001 0.000 0.238 64 V C 0.395 176.486 176.094 -0.005 0.000 1.039 64 V CA 0.913 63.207 62.300 -0.010 0.000 0.990 64 V CB -0.821 30.988 31.823 -0.022 0.000 0.635 64 V HN 0.967 nan 8.190 nan 0.000 0.453 65 K N -0.438 119.958 120.400 -0.007 0.000 4.838 65 K HA -0.194 4.127 4.320 0.001 0.000 0.300 65 K C -2.637 173.963 176.600 0.001 0.000 0.861 65 K CA 0.095 56.381 56.287 -0.003 0.000 0.929 65 K CB -2.249 30.251 32.500 0.000 0.000 1.772 65 K HN 0.374 nan 8.250 nan 0.000 0.422 66 P HA 0.098 nan 4.420 nan 0.000 0.269 66 P C -0.457 176.848 177.300 0.009 0.000 1.215 66 P CA -0.116 62.987 63.100 0.006 0.000 0.780 66 P CB 1.271 32.973 31.700 0.004 0.000 0.898 67 S N 0.507 116.214 115.700 0.013 0.000 2.643 67 S HA 0.490 4.961 4.470 0.001 0.000 0.270 67 S C -2.431 172.178 174.600 0.015 0.000 1.166 67 S CA -1.089 57.119 58.200 0.013 0.000 0.815 67 S CB 1.264 64.469 63.200 0.009 0.000 1.139 67 S HN 0.164 nan 8.310 nan 0.000 0.472 68 P HA -0.027 nan 4.420 nan 0.000 0.218 68 P C 1.501 178.801 177.300 -0.001 0.000 1.149 68 P CA 1.886 64.989 63.100 0.006 0.000 0.817 68 P CB -0.416 31.281 31.700 -0.004 0.000 0.785 69 A N -0.566 122.254 122.820 0.000 0.000 1.877 69 A HA -0.100 4.221 4.320 0.001 0.000 0.216 69 A C 1.366 178.955 177.584 0.008 0.000 1.186 69 A CA 1.514 53.551 52.037 0.000 0.000 0.620 69 A CB -0.589 18.413 19.000 0.003 0.000 0.822 69 A HN 0.129 nan 8.150 nan 0.000 0.443 70 K N -0.627 119.781 120.400 0.014 0.000 2.601 70 K HA 0.464 4.784 4.320 0.001 0.000 0.249 70 K C -0.772 175.842 176.600 0.022 0.000 0.966 70 K CA -0.406 55.892 56.287 0.020 0.000 0.827 70 K CB 1.014 33.525 32.500 0.018 0.000 1.178 70 K HN 0.651 nan 8.250 nan 0.000 0.437 71 R N 1.347 121.866 120.500 0.031 0.000 2.728 71 R HA 0.520 4.861 4.340 0.001 0.000 0.274 71 R C -0.970 175.359 176.300 0.048 0.000 1.030 71 R CA -1.042 55.079 56.100 0.035 0.000 0.876 71 R CB 0.536 30.858 30.300 0.037 0.000 1.259 71 R HN 0.312 nan 8.270 nan 0.000 0.468 72 N N -0.402 118.333 118.700 0.058 0.000 2.434 72 N HA 0.592 5.332 4.740 0.001 0.000 0.266 72 N C -1.005 174.560 175.510 0.092 0.000 1.223 72 N CA -0.196 52.908 53.050 0.090 0.000 0.972 72 N CB 1.647 40.235 38.487 0.169 0.000 1.207 72 N HN 0.682 nan 8.380 nan 0.000 0.525 73 A N 0.056 122.938 122.820 0.104 0.000 2.356 73 A HA 0.540 4.861 4.320 0.001 0.000 0.310 73 A C -0.438 177.223 177.584 0.128 0.000 1.075 73 A CA -0.753 51.337 52.037 0.088 0.000 0.746 73 A CB 0.699 19.725 19.000 0.044 0.000 1.221 73 A HN 0.408 nan 8.150 nan 0.000 0.443 74 V N 0.991 120.975 119.914 0.115 0.000 2.427 74 V HA 0.807 4.928 4.120 0.001 0.000 0.286 74 V C -0.360 175.790 176.094 0.094 0.000 1.034 74 V CA -0.630 61.754 62.300 0.140 0.000 0.893 74 V CB 0.989 32.895 31.823 0.139 0.000 0.982 74 V HN 0.599 nan 8.190 nan 0.000 0.452 75 V N 7.089 127.053 119.914 0.084 0.000 2.459 75 V HA 0.699 4.820 4.120 0.001 0.000 0.295 75 V C 0.125 176.233 176.094 0.024 0.000 1.029 75 V CA -0.373 61.935 62.300 0.012 0.000 0.874 75 V CB 1.391 33.182 31.823 -0.054 0.000 0.985 75 V HN 1.132 nan 8.190 nan 0.000 0.438 76 M N 3.164 122.766 119.600 0.004 0.000 2.531 76 M HA 0.827 5.308 4.480 0.001 0.000 0.286 76 M C -0.065 176.218 176.300 -0.028 0.000 1.232 76 M CA -0.498 54.803 55.300 0.002 0.000 0.877 76 M CB 2.212 34.868 32.600 0.093 0.000 1.726 76 M HN 0.627 nan 8.290 nan 0.000 0.463 77 G N 1.200 109.971 108.800 -0.049 0.000 2.539 77 G HA2 0.259 4.220 3.960 0.001 0.000 0.258 77 G HA3 0.259 4.220 3.960 0.001 0.000 0.258 77 G C 0.326 175.236 174.900 0.018 0.000 1.202 77 G CA -0.562 44.515 45.100 -0.038 0.000 0.851 77 G HN 0.995 nan 8.290 nan 0.000 0.556 78 R N 0.434 120.940 120.500 0.010 0.000 2.105 78 R HA -0.103 4.238 4.340 0.001 0.000 0.239 78 R C 2.252 178.632 176.300 0.134 0.000 1.135 78 R CA 1.629 57.765 56.100 0.060 0.000 0.967 78 R CB -0.160 30.148 30.300 0.014 0.000 0.861 78 R HN 0.605 nan 8.270 nan 0.000 0.442 79 K N -0.966 119.473 120.400 0.065 0.000 2.097 79 K HA -0.055 4.266 4.320 0.001 0.000 0.205 79 K C 2.032 178.655 176.600 0.039 0.000 1.050 79 K CA 1.760 58.075 56.287 0.046 0.000 0.938 79 K CB -0.068 32.438 32.500 0.010 0.000 0.718 79 K HN 0.168 nan 8.250 nan 0.000 0.442 80 T N 1.089 115.664 114.554 0.035 0.000 2.708 80 T HA -0.202 4.149 4.350 0.001 0.000 0.266 80 T C 1.238 175.980 174.700 0.069 0.000 1.037 80 T CA 1.129 63.237 62.100 0.013 0.000 1.146 80 T CB -0.321 68.541 68.868 -0.010 0.000 0.865 80 T HN 0.456 nan 8.240 nan 0.000 0.435 81 W N 2.551 123.826 121.300 -0.043 0.000 2.315 81 W HA -0.242 4.419 4.660 0.001 0.000 0.323 81 W C 1.545 178.053 176.519 -0.018 0.000 1.233 81 W CA 1.826 59.159 57.345 -0.021 0.000 1.267 81 W CB -0.533 28.919 29.460 -0.014 0.000 1.160 81 W HN 0.248 nan 8.180 nan 0.000 0.474 82 D N 0.115 120.573 120.400 0.097 0.000 2.158 82 D HA -0.214 4.426 4.640 0.001 0.000 0.197 82 D C 2.434 178.675 176.300 -0.099 0.000 0.995 82 D CA 2.457 56.445 54.000 -0.020 0.000 0.846 82 D CB -0.705 40.131 40.800 0.060 0.000 0.941 82 D HN 0.248 nan 8.370 nan 0.000 0.456 83 S N -0.299 115.351 115.700 -0.082 0.000 2.453 83 S HA -0.065 4.406 4.470 0.001 0.000 0.231 83 S C 0.976 175.495 174.600 -0.136 0.000 1.005 83 S CA -0.032 58.105 58.200 -0.104 0.000 0.949 83 S CB -0.338 62.800 63.200 -0.103 0.000 0.774 83 S HN 0.159 nan 8.310 nan 0.000 0.510 84 I N 3.123 123.586 120.570 -0.178 0.000 2.396 84 I HA 0.318 4.489 4.170 0.001 0.000 0.289 84 I C -2.473 173.542 176.117 -0.171 0.000 1.056 84 I CA -2.569 58.623 61.300 -0.179 0.000 1.365 84 I CB 0.726 38.592 38.000 -0.223 0.000 1.407 84 I HN 0.003 nan 8.210 nan 0.000 0.509 85 P HA -0.004 nan 4.420 nan 0.000 0.262 85 P C -1.808 175.434 177.300 -0.097 0.000 1.182 85 P CA -0.909 62.188 63.100 -0.004 0.000 0.761 85 P CB 0.031 31.843 31.700 0.187 0.000 0.795 86 P HA -0.236 nan 4.420 nan 0.000 0.216 86 P C 1.421 178.583 177.300 -0.231 0.000 1.150 86 P CA 1.746 64.721 63.100 -0.210 0.000 0.843 86 P CB 0.095 31.708 31.700 -0.147 0.000 0.787 87 K N -0.250 119.949 120.400 -0.335 0.000 2.144 87 K HA -0.178 4.142 4.320 0.001 0.000 0.209 87 K C 1.349 177.601 176.600 -0.581 0.000 1.047 87 K CA 1.722 57.681 56.287 -0.546 0.000 0.927 87 K CB -0.529 31.454 32.500 -0.863 0.000 0.716 87 K HN 0.082 nan 8.250 nan 0.000 0.454 88 F N 0.533 120.418 119.950 -0.109 0.000 2.727 88 F HA 0.262 4.790 4.527 0.001 0.000 0.302 88 F C 0.337 176.062 175.800 -0.125 0.000 1.097 88 F CA -0.292 57.649 58.000 -0.098 0.000 1.330 88 F CB 0.313 39.256 39.000 -0.095 0.000 1.084 88 F HN -0.245 nan 8.300 nan 0.000 0.578 89 R N 1.794 122.246 120.500 -0.079 0.000 2.474 89 R HA 0.386 4.727 4.340 0.001 0.000 0.295 89 R C -2.401 173.893 176.300 -0.011 0.000 0.980 89 R CA -1.722 54.281 56.100 -0.161 0.000 0.934 89 R CB 0.565 30.528 30.300 -0.562 0.000 1.101 89 R HN -0.110 nan 8.270 nan 0.000 0.469 90 P HA 0.144 nan 4.420 nan 0.000 0.279 90 P C -0.384 176.997 177.300 0.135 0.000 1.252 90 P CA -0.525 62.694 63.100 0.199 0.000 0.811 90 P CB 0.699 32.577 31.700 0.298 0.000 1.035 91 L N 2.387 123.704 121.223 0.157 0.000 2.584 91 L HA 0.079 4.420 4.340 0.001 0.000 0.272 91 L C -1.832 175.097 176.870 0.097 0.000 1.195 91 L CA -1.421 53.495 54.840 0.127 0.000 0.920 91 L CB -0.846 41.304 42.059 0.152 0.000 1.173 91 L HN 0.221 nan 8.230 nan 0.000 0.489 92 P HA 0.033 nan 4.420 nan 0.000 0.267 92 P C 0.856 178.174 177.300 0.030 0.000 1.200 92 P CA 0.584 63.715 63.100 0.052 0.000 0.772 92 P CB 0.808 32.535 31.700 0.046 0.000 0.855 93 G N 1.127 109.943 108.800 0.027 0.000 2.179 93 G HA2 -0.224 3.737 3.960 0.001 0.000 0.260 93 G HA3 -0.224 3.737 3.960 0.001 0.000 0.260 93 G C 0.050 174.960 174.900 0.016 0.000 0.977 93 G CA 0.114 45.221 45.100 0.012 0.000 0.641 93 G HN 0.809 nan 8.290 nan 0.000 0.533 94 R N -0.826 119.694 120.500 0.033 0.000 2.739 94 R HA 0.691 5.031 4.340 0.001 0.000 0.271 94 R C -0.694 175.648 176.300 0.071 0.000 1.010 94 R CA -1.256 54.872 56.100 0.046 0.000 0.897 94 R CB 1.268 31.586 30.300 0.029 0.000 1.236 94 R HN 0.264 nan 8.270 nan 0.000 0.466 95 L N 2.171 123.441 121.223 0.077 0.000 2.418 95 L HA 0.202 4.543 4.340 0.001 0.000 0.274 95 L C -0.470 176.448 176.870 0.080 0.000 1.135 95 L CA 0.063 54.954 54.840 0.084 0.000 0.870 95 L CB 0.381 42.498 42.059 0.098 0.000 1.154 95 L HN 0.637 nan 8.230 nan 0.000 0.462 96 N N 4.777 123.529 118.700 0.086 0.000 2.462 96 N HA 0.182 4.923 4.740 0.001 0.000 0.242 96 N C -0.881 174.619 175.510 -0.016 0.000 1.010 96 N CA -0.428 52.678 53.050 0.093 0.000 0.939 96 N CB 1.736 40.352 38.487 0.216 0.000 1.127 96 N HN 0.305 nan 8.380 nan 0.000 0.509 97 V N 3.291 123.184 119.914 -0.035 0.000 2.383 97 V HA 0.275 4.396 4.120 0.001 0.000 0.275 97 V C 0.298 176.312 176.094 -0.134 0.000 1.036 97 V CA -0.615 61.619 62.300 -0.110 0.000 0.889 97 V CB 1.487 33.237 31.823 -0.121 0.000 0.985 97 V HN 0.252 nan 8.190 nan 0.000 0.459 98 V N 6.506 126.284 119.914 -0.227 0.000 2.417 98 V HA 0.459 4.580 4.120 0.001 0.000 0.291 98 V C -0.134 175.844 176.094 -0.194 0.000 1.024 98 V CA -0.640 61.505 62.300 -0.257 0.000 0.861 98 V CB 1.766 33.260 31.823 -0.549 0.000 0.985 98 V HN 0.641 nan 8.190 nan 0.000 0.436 99 L N 4.138 125.280 121.223 -0.135 0.000 2.260 99 L HA 0.714 5.055 4.340 0.001 0.000 0.289 99 L C 0.225 177.040 176.870 -0.092 0.000 1.057 99 L CA 0.349 55.125 54.840 -0.107 0.000 0.811 99 L CB 1.260 43.267 42.059 -0.087 0.000 1.184 99 L HN 0.755 nan 8.230 nan 0.000 0.429 100 S N 0.472 116.119 115.700 -0.087 0.000 2.543 100 S HA 0.352 4.823 4.470 0.001 0.000 0.274 100 S C 0.292 174.860 174.600 -0.053 0.000 1.149 100 S CA -0.070 58.090 58.200 -0.067 0.000 0.866 100 S CB 1.813 64.964 63.200 -0.081 0.000 1.111 100 S HN 0.652 nan 8.310 nan 0.000 0.457 101 S N 1.266 116.944 115.700 -0.038 0.000 2.506 101 S HA 0.070 4.541 4.470 0.001 0.000 0.219 101 S C 1.474 176.059 174.600 -0.026 0.000 1.031 101 S CA 0.893 59.075 58.200 -0.029 0.000 0.911 101 S CB -0.372 62.814 63.200 -0.023 0.000 0.812 101 S HN 0.885 nan 8.310 nan 0.000 0.497 102 T N 0.069 114.605 114.554 -0.031 0.000 3.010 102 T HA 0.353 4.703 4.350 0.001 0.000 0.252 102 T C 0.578 175.253 174.700 -0.042 0.000 1.047 102 T CA -0.081 61.996 62.100 -0.038 0.000 1.140 102 T CB -0.271 68.571 68.868 -0.043 0.000 0.885 102 T HN 0.158 nan 8.240 nan 0.000 0.464 103 L N 3.879 125.081 121.223 -0.034 0.000 2.276 103 L HA 0.434 4.775 4.340 0.001 0.000 0.286 103 L C 0.849 177.725 176.870 0.010 0.000 1.061 103 L CA 0.031 54.863 54.840 -0.013 0.000 0.807 103 L CB 0.826 42.861 42.059 -0.039 0.000 1.177 103 L HN 0.507 nan 8.230 nan 0.000 0.429 104 T N -1.055 113.568 114.554 0.115 0.000 2.912 104 T HA 0.130 4.481 4.350 0.001 0.000 0.280 104 T C 1.259 175.950 174.700 -0.014 0.000 0.989 104 T CA 0.038 62.173 62.100 0.059 0.000 0.995 104 T CB 1.365 70.294 68.868 0.102 0.000 1.077 104 T HN 0.632 nan 8.240 nan 0.000 0.531 105 T N -0.751 113.769 114.554 -0.058 0.000 2.881 105 T HA -0.156 4.195 4.350 0.001 0.000 0.270 105 T C 1.790 176.445 174.700 -0.075 0.000 1.068 105 T CA 1.792 63.843 62.100 -0.082 0.000 1.131 105 T CB -0.510 68.317 68.868 -0.069 0.000 0.871 105 T HN 0.651 nan 8.240 nan 0.000 0.479 106 Q N -0.116 119.620 119.800 -0.106 0.000 2.163 106 Q HA -0.020 4.321 4.340 0.001 0.000 0.198 106 Q C 2.076 177.987 176.000 -0.149 0.000 0.954 106 Q CA 1.509 57.220 55.803 -0.153 0.000 0.851 106 Q CB -0.472 28.124 28.738 -0.237 0.000 0.928 106 Q HN 0.679 nan 8.270 nan 0.000 0.459 107 H N -0.280 118.781 119.070 -0.015 0.000 2.457 107 H HA -0.013 4.544 4.556 0.001 0.000 0.294 107 H C 1.856 177.194 175.328 0.017 0.000 1.064 107 H CA 1.289 57.337 56.048 -0.001 0.000 1.330 107 H CB 0.177 29.934 29.762 -0.007 0.000 1.395 107 H HN 0.271 nan 8.280 nan 0.000 0.541 108 L N -0.246 121.030 121.223 0.088 0.000 2.072 108 L HA -0.134 4.206 4.340 0.001 0.000 0.205 108 L C 2.421 179.371 176.870 0.133 0.000 1.079 108 L CA 0.252 55.138 54.840 0.077 0.000 0.752 108 L CB -0.309 41.658 42.059 -0.153 0.000 0.906 108 L HN 0.132 nan 8.230 nan 0.000 0.436 109 L N -0.119 121.141 121.223 0.062 0.000 2.129 109 L HA -0.172 4.168 4.340 0.001 0.000 0.212 109 L C 0.273 177.187 176.870 0.073 0.000 1.087 109 L CA 1.618 56.497 54.840 0.065 0.000 0.757 109 L CB -0.603 41.465 42.059 0.014 0.000 0.896 109 L HN 0.195 nan 8.230 nan 0.000 0.434 110 D N 0.110 120.554 120.400 0.073 0.000 2.500 110 D HA 0.550 5.191 4.640 0.001 0.000 0.219 110 D C 0.638 176.998 176.300 0.099 0.000 1.137 110 D CA 0.483 54.527 54.000 0.073 0.000 0.946 110 D CB 0.375 41.214 40.800 0.064 0.000 1.022 110 D HN 0.215 nan 8.370 nan 0.000 0.518 111 G N 0.842 109.700 108.800 0.095 0.000 4.504 111 G HA2 0.091 4.052 3.960 0.001 0.000 0.229 111 G HA3 0.091 4.052 3.960 0.001 0.000 0.229 111 G C 0.367 175.303 174.900 0.060 0.000 3.132 111 G CA -0.369 44.784 45.100 0.089 0.000 0.731 111 G HN 0.348 nan 8.290 nan 0.000 0.253 112 L N -0.681 120.563 121.223 0.035 0.000 2.783 112 L HA 0.456 4.796 4.340 0.001 0.000 0.174 112 L C -0.735 176.119 176.870 -0.028 0.000 1.235 112 L CA -0.316 54.527 54.840 0.005 0.000 0.862 112 L CB -1.221 40.850 42.059 0.019 0.000 1.249 112 L HN 0.168 nan 8.230 nan 0.000 0.518 113 P HA 0.449 nan 4.420 nan 0.000 0.344 113 P C -1.421 175.874 177.300 -0.008 0.000 1.282 113 P CA -0.338 62.759 63.100 -0.004 0.000 0.769 113 P CB 0.353 32.050 31.700 -0.005 0.000 1.561 114 D N -2.488 117.910 120.400 -0.003 0.000 10.847 114 D HA -0.103 4.538 4.640 0.001 0.000 0.350 114 D C -0.064 176.236 176.300 0.000 0.000 3.129 114 D CA 0.623 54.620 54.000 -0.005 0.000 2.659 114 D CB -0.496 40.297 40.800 -0.012 0.000 1.194 114 D HN 0.305 nan 8.370 nan 0.000 0.939 122 A N 1.540 124.370 122.820 0.017 0.000 2.116 122 A HA 0.058 4.378 4.320 0.001 0.000 0.327 122 A C 0.325 177.922 177.584 0.022 0.000 0.883 122 A CA 1.112 53.158 52.037 0.015 0.000 1.423 122 A CB -1.288 17.720 19.000 0.012 0.000 0.662 122 A HN 0.754 nan 8.150 nan 0.000 0.285 123 D N 1.504 121.916 120.400 0.020 0.000 2.571 123 D HA 0.234 4.875 4.640 0.001 0.000 0.231 123 D C 1.047 177.371 176.300 0.040 0.000 1.133 123 D CA 1.636 55.653 54.000 0.029 0.000 0.862 123 D CB 0.369 41.182 40.800 0.021 0.000 1.179 123 D HN 0.721 nan 8.370 nan 0.000 0.474 124 S N 1.646 117.378 115.700 0.053 0.000 3.022 124 S HA 0.241 4.711 4.470 0.001 0.000 0.247 124 S C -0.317 174.327 174.600 0.073 0.000 0.845 124 S CA -0.801 57.440 58.200 0.068 0.000 1.104 124 S CB -0.419 62.823 63.200 0.069 0.000 1.228 124 S HN 0.332 nan 8.310 nan 0.000 0.532 125 I N 0.466 121.065 120.570 0.048 0.000 2.497 125 I HA 0.769 4.939 4.170 0.001 0.000 0.284 125 I C -1.480 174.611 176.117 -0.044 0.000 1.060 125 I CA -0.710 60.590 61.300 0.002 0.000 1.071 125 I CB 1.769 39.784 38.000 0.024 0.000 1.216 125 I HN 0.097 nan 8.210 nan 0.000 0.442 126 V N 7.337 127.209 119.914 -0.070 0.000 2.680 126 V HA 0.938 5.059 4.120 0.001 0.000 0.309 126 V C -0.126 175.878 176.094 -0.149 0.000 1.052 126 V CA -0.102 62.153 62.300 -0.076 0.000 0.908 126 V CB 1.831 33.646 31.823 -0.013 0.000 1.001 126 V HN 0.985 nan 8.190 nan 0.000 0.431 127 A N 5.502 128.237 122.820 -0.142 0.000 2.312 127 A HA 0.828 5.148 4.320 0.001 0.000 0.326 127 A C -0.948 176.563 177.584 -0.122 0.000 1.172 127 A CA -0.491 51.448 52.037 -0.164 0.000 0.821 127 A CB 1.529 20.433 19.000 -0.161 0.000 1.166 127 A HN 0.873 nan 8.150 nan 0.000 0.493 128 V N 2.647 122.484 119.914 -0.127 0.000 2.409 128 V HA 0.217 4.337 4.120 0.001 0.000 0.291 128 V C 0.113 176.156 176.094 -0.085 0.000 1.020 128 V CA -0.714 61.524 62.300 -0.104 0.000 0.848 128 V CB 1.491 33.242 31.823 -0.120 0.000 0.990 128 V HN 0.945 nan 8.190 nan 0.000 0.430 129 N N 4.146 122.808 118.700 -0.064 0.000 2.739 129 N HA 0.533 5.274 4.740 0.001 0.000 0.266 129 N C 0.060 175.543 175.510 -0.046 0.000 1.168 129 N CA 0.927 53.948 53.050 -0.049 0.000 1.055 129 N CB 0.142 38.609 38.487 -0.034 0.000 1.393 129 N HN 1.023 nan 8.380 nan 0.000 0.514 130 G N -0.209 108.561 108.800 -0.051 0.000 2.343 130 G HA2 0.374 4.334 3.960 0.001 0.000 0.289 130 G HA3 0.374 4.334 3.960 0.001 0.000 0.289 130 G C -0.334 174.533 174.900 -0.055 0.000 1.295 130 G CA -0.443 44.629 45.100 -0.047 0.000 0.869 130 G HN 0.579 nan 8.290 nan 0.000 0.522 131 G N -1.413 107.356 108.800 -0.051 0.000 2.509 131 G HA2 0.562 4.523 3.960 0.001 0.000 0.269 131 G HA3 0.562 4.523 3.960 0.001 0.000 0.269 131 G C 1.104 175.953 174.900 -0.084 0.000 1.416 131 G CA 0.230 45.297 45.100 -0.056 0.000 1.052 131 G HN 1.194 nan 8.290 nan 0.000 0.542 132 L N -0.587 120.579 121.223 -0.096 0.000 2.131 132 L HA 0.026 4.366 4.340 0.001 0.000 0.210 132 L C 2.552 179.318 176.870 -0.173 0.000 1.092 132 L CA 2.205 56.949 54.840 -0.160 0.000 0.759 132 L CB -0.421 41.527 42.059 -0.184 0.000 0.903 132 L HN 0.813 nan 8.230 nan 0.000 0.435 133 E N -1.149 118.986 120.200 -0.108 0.000 2.077 133 E HA -0.280 4.070 4.350 0.001 0.000 0.193 133 E C 2.067 178.616 176.600 -0.084 0.000 0.989 133 E CA 1.210 57.561 56.400 -0.082 0.000 0.800 133 E CB 0.055 29.735 29.700 -0.033 0.000 0.746 133 E HN 0.520 nan 8.360 nan 0.000 0.452 134 Q N 0.080 119.832 119.800 -0.079 0.000 2.119 134 Q HA -0.060 4.280 4.340 0.001 0.000 0.201 134 Q C 1.839 177.775 176.000 -0.108 0.000 0.972 134 Q CA 1.572 57.330 55.803 -0.077 0.000 0.847 134 Q CB -0.313 28.386 28.738 -0.065 0.000 0.903 134 Q HN 0.362 nan 8.270 nan 0.000 0.433 135 A N 0.088 122.826 122.820 -0.137 0.000 1.898 135 A HA -0.098 4.222 4.320 0.001 0.000 0.216 135 A C 1.986 179.454 177.584 -0.193 0.000 1.181 135 A CA 1.045 52.977 52.037 -0.175 0.000 0.620 135 A CB -0.634 18.258 19.000 -0.181 0.000 0.819 135 A HN 0.348 nan 8.150 nan 0.000 0.442 136 L N -0.960 120.149 121.223 -0.190 0.000 2.201 136 L HA -0.184 4.157 4.340 0.001 0.000 0.212 136 L C 2.799 179.599 176.870 -0.117 0.000 1.105 136 L CA 1.265 56.000 54.840 -0.174 0.000 0.775 136 L CB -0.422 41.517 42.059 -0.200 0.000 0.913 136 L HN 0.534 nan 8.230 nan 0.000 0.440 137 Q N 0.062 119.803 119.800 -0.098 0.000 2.046 137 Q HA -0.232 4.108 4.340 0.001 0.000 0.200 137 Q C 2.296 178.258 176.000 -0.064 0.000 0.975 137 Q CA 1.478 57.244 55.803 -0.062 0.000 0.836 137 Q CB -0.054 28.656 28.738 -0.048 0.000 0.896 137 Q HN 0.377 nan 8.270 nan 0.000 0.428 138 L N 0.464 121.624 121.223 -0.106 0.000 2.012 138 L HA -0.171 4.170 4.340 0.001 0.000 0.210 138 L C 1.857 178.616 176.870 -0.184 0.000 1.073 138 L CA 1.592 56.350 54.840 -0.136 0.000 0.748 138 L CB -0.262 41.662 42.059 -0.225 0.000 0.891 138 L HN 0.234 nan 8.230 nan 0.000 0.431 139 L N -0.402 120.670 121.223 -0.252 0.000 2.633 139 L HA -0.056 4.285 4.340 0.001 0.000 0.235 139 L C 2.288 179.151 176.870 -0.010 0.000 1.163 139 L CA 0.602 55.323 54.840 -0.198 0.000 0.859 139 L CB -0.663 41.279 42.059 -0.194 0.000 0.973 139 L HN 0.378 nan 8.230 nan 0.000 0.451 140 A N -1.258 121.557 122.820 -0.009 0.000 2.178 140 A HA 0.091 4.412 4.320 0.001 0.000 0.211 140 A C 1.366 178.990 177.584 0.067 0.000 1.157 140 A CA -0.033 52.014 52.037 0.017 0.000 0.780 140 A CB -0.102 18.891 19.000 -0.011 0.000 0.828 140 A HN 0.300 nan 8.150 nan 0.000 0.476 141 S N 1.491 117.264 115.700 0.121 0.000 2.569 141 S HA 0.146 4.617 4.470 0.001 0.000 0.274 141 S C -1.495 173.175 174.600 0.117 0.000 1.353 141 S CA -0.378 57.908 58.200 0.144 0.000 1.023 141 S CB 0.220 63.565 63.200 0.242 0.000 0.876 141 S HN 0.318 nan 8.310 nan 0.000 0.540 142 P HA -0.066 nan 4.420 nan 0.000 0.225 142 P C 0.231 177.516 177.300 -0.026 0.000 1.148 142 P CA 0.958 64.075 63.100 0.028 0.000 0.779 142 P CB -0.154 31.559 31.700 0.022 0.000 0.780 143 N N -1.447 117.203 118.700 -0.083 0.000 2.396 143 N HA -0.102 4.638 4.740 0.001 0.000 0.180 143 N C 0.968 176.185 175.510 -0.488 0.000 1.028 143 N CA 1.081 53.933 53.050 -0.330 0.000 0.893 143 N CB -0.549 37.619 38.487 -0.532 0.000 0.967 143 N HN 0.327 nan 8.380 nan 0.000 0.440 144 Y N -1.193 119.104 120.300 -0.004 0.000 2.512 144 Y HA 0.335 4.885 4.550 0.001 0.000 0.268 144 Y C 0.154 176.050 175.900 -0.007 0.000 1.102 144 Y CA -0.109 57.987 58.100 -0.007 0.000 1.261 144 Y CB 0.500 38.952 38.460 -0.014 0.000 1.250 144 Y HN -0.227 nan 8.280 nan 0.000 0.506 145 T N 4.319 118.951 114.554 0.131 0.000 2.770 145 T HA 0.272 4.622 4.350 0.001 0.000 0.283 145 T C -2.426 172.297 174.700 0.038 0.000 0.988 145 T CA -1.346 60.795 62.100 0.069 0.000 0.957 145 T CB 1.700 70.601 68.868 0.055 0.000 0.930 145 T HN -0.049 nan 8.240 nan 0.000 0.443 146 P HA 0.189 nan 4.420 nan 0.000 0.274 146 P C 1.119 178.436 177.300 0.029 0.000 1.673 146 P CA -0.286 62.831 63.100 0.027 0.000 1.193 146 P CB 0.054 31.763 31.700 0.016 0.000 1.571 147 S N -0.385 115.331 115.700 0.027 0.000 2.382 147 S HA -0.039 4.432 4.470 0.001 0.000 0.228 147 S C 1.150 175.776 174.600 0.043 0.000 1.027 147 S CA 0.569 58.782 58.200 0.022 0.000 0.991 147 S CB -0.802 62.395 63.200 -0.005 0.000 0.823 147 S HN 0.028 nan 8.310 nan 0.000 0.469 148 I N 2.922 123.534 120.570 0.070 0.000 2.363 148 I HA 0.252 4.422 4.170 0.001 0.000 0.292 148 I C 1.489 177.630 176.117 0.039 0.000 1.075 148 I CA -0.105 61.236 61.300 0.069 0.000 1.333 148 I CB 0.627 38.685 38.000 0.098 0.000 1.415 148 I HN 0.448 nan 8.210 nan 0.000 0.502 149 E N 4.374 124.591 120.200 0.029 0.000 2.046 149 E HA -0.055 4.295 4.350 0.001 0.000 0.190 149 E C -0.232 176.362 176.600 -0.011 0.000 0.982 149 E CA 1.011 57.422 56.400 0.017 0.000 0.800 149 E CB 0.486 30.199 29.700 0.022 0.000 0.756 149 E HN 0.627 nan 8.360 nan 0.000 0.449 150 T N 0.735 115.264 114.554 -0.040 0.000 2.928 150 T HA 0.361 4.712 4.350 0.001 0.000 0.296 150 T C -0.974 173.591 174.700 -0.226 0.000 1.000 150 T CA -0.695 61.299 62.100 -0.177 0.000 0.989 150 T CB 2.131 70.814 68.868 -0.309 0.000 1.005 150 T HN -0.133 nan 8.240 nan 0.000 0.442 151 V N 3.819 123.607 119.914 -0.209 0.000 2.498 151 V HA 0.403 4.523 4.120 0.001 0.000 0.279 151 V C -1.022 174.948 176.094 -0.205 0.000 1.048 151 V CA -0.481 61.756 62.300 -0.106 0.000 0.967 151 V CB 0.230 32.057 31.823 0.006 0.000 0.988 151 V HN 0.782 nan 8.190 nan 0.000 0.473 152 Y N 2.797 123.167 120.300 0.117 0.000 2.350 152 Y HA 0.417 4.968 4.550 0.001 0.000 0.338 152 Y C 0.266 176.272 175.900 0.175 0.000 0.961 152 Y CA -0.621 57.567 58.100 0.146 0.000 1.100 152 Y CB 1.707 40.180 38.460 0.022 0.000 1.179 152 Y HN 0.687 nan 8.280 nan 0.000 0.454 153 C N 7.236 126.801 119.300 0.441 0.000 2.349 153 C HA 0.482 4.943 4.460 0.001 0.000 0.348 153 C C 1.224 176.417 174.990 0.338 0.000 1.223 153 C CA -0.591 58.621 59.018 0.323 0.000 1.746 153 C CB -2.004 25.977 27.740 0.402 0.000 2.360 153 C HN 0.904 nan 8.230 nan 0.000 0.533 154 I N 4.593 125.302 120.570 0.231 0.000 3.927 154 I HA 0.617 4.787 4.170 0.001 0.000 0.332 154 I C 0.593 176.758 176.117 0.081 0.000 1.485 154 I CA 0.328 61.801 61.300 0.288 0.000 1.131 154 I CB -0.463 37.785 38.000 0.413 0.000 1.092 154 I HN 0.859 nan 8.210 nan 0.000 0.410 155 G N -0.008 108.615 108.800 -0.294 0.000 2.369 155 G HA2 0.411 4.372 3.960 0.001 0.000 0.307 155 G HA3 0.411 4.372 3.960 0.001 0.000 0.307 155 G C -0.361 174.100 174.900 -0.733 0.000 1.327 155 G CA -0.132 44.437 45.100 -0.885 0.000 0.963 155 G HN 1.105 nan 8.290 nan 0.000 0.590 156 G N -1.418 106.981 108.800 -0.669 0.000 2.949 156 G HA2 0.490 4.450 3.960 0.001 0.000 0.658 156 G HA3 0.490 4.450 3.960 0.001 0.000 0.658 156 G C 1.354 176.152 174.900 -0.170 0.000 1.194 156 G CA 0.879 45.806 45.100 -0.287 0.000 1.204 156 G HN 2.314 nan 8.290 nan 0.000 0.524 157 G N 1.812 110.642 108.800 0.050 0.000 2.663 157 G HA2 -0.216 3.744 3.960 0.001 0.000 0.222 157 G HA3 -0.216 3.744 3.960 0.001 0.000 0.222 157 G C 2.397 177.408 174.900 0.184 0.000 1.146 157 G CA 2.690 47.928 45.100 0.230 0.000 0.764 157 G HN 2.174 nan 8.290 nan 0.000 0.608 158 S N -0.090 115.659 115.700 0.081 0.000 2.383 158 S HA -0.066 4.405 4.470 0.001 0.000 0.227 158 S C 2.306 176.939 174.600 0.056 0.000 1.026 158 S CA 1.627 59.868 58.200 0.068 0.000 0.981 158 S CB -0.430 62.789 63.200 0.032 0.000 0.818 158 S HN 0.209 nan 8.310 nan 0.000 0.472 159 V N 0.618 120.523 119.914 -0.016 0.000 2.307 159 V HA -0.112 4.009 4.120 0.001 0.000 0.245 159 V C 2.409 178.555 176.094 0.086 0.000 1.045 159 V CA 1.656 63.932 62.300 -0.040 0.000 1.024 159 V CB -1.235 30.490 31.823 -0.163 0.000 0.651 159 V HN 0.408 nan 8.190 nan 0.000 0.449 160 Y N 1.109 121.505 120.300 0.159 0.000 2.114 160 Y HA -0.232 4.319 4.550 0.001 0.000 0.282 160 Y C 2.630 178.684 175.900 0.257 0.000 1.165 160 Y CA 1.056 59.316 58.100 0.267 0.000 1.148 160 Y CB -1.427 37.249 38.460 0.360 0.000 0.972 160 Y HN 0.195 nan 8.280 nan 0.000 0.504 161 A N -0.194 122.835 122.820 0.348 0.000 1.908 161 A HA -0.269 4.051 4.320 0.001 0.000 0.218 161 A C 2.272 179.957 177.584 0.168 0.000 1.181 161 A CA 2.008 54.175 52.037 0.216 0.000 0.627 161 A CB -0.759 18.337 19.000 0.159 0.000 0.818 161 A HN 0.545 nan 8.150 nan 0.000 0.445 162 E N -0.437 119.853 120.200 0.149 0.000 2.152 162 E HA -0.033 4.318 4.350 0.001 0.000 0.192 162 E C 2.091 178.784 176.600 0.154 0.000 0.983 162 E CA 0.725 57.193 56.400 0.112 0.000 0.818 162 E CB -0.199 29.538 29.700 0.061 0.000 0.758 162 E HN 0.550 nan 8.360 nan 0.000 0.467 163 A N 0.729 123.689 122.820 0.234 0.000 2.019 163 A HA -0.084 4.236 4.320 0.001 0.000 0.219 163 A C 1.856 179.656 177.584 0.360 0.000 1.164 163 A CA 0.813 53.078 52.037 0.379 0.000 0.644 163 A CB -0.216 19.102 19.000 0.530 0.000 0.805 163 A HN 0.287 nan 8.150 nan 0.000 0.449 164 L N -0.986 120.391 121.223 0.256 0.000 2.741 164 L HA 0.231 4.571 4.340 0.001 0.000 0.237 164 L C 0.794 177.731 176.870 0.111 0.000 1.178 164 L CA -0.189 54.755 54.840 0.173 0.000 0.973 164 L CB -0.042 42.067 42.059 0.082 0.000 1.255 164 L HN 0.318 nan 8.230 nan 0.000 0.498 165 R N 0.958 121.521 120.500 0.104 0.000 2.686 165 R HA 0.454 4.794 4.340 0.001 0.000 0.283 165 R C -2.824 173.495 176.300 0.031 0.000 0.978 165 R CA -1.766 54.370 56.100 0.059 0.000 0.897 165 R CB 2.433 32.775 30.300 0.069 0.000 1.192 165 R HN -0.238 nan 8.270 nan 0.000 0.457 166 P HA 0.087 nan 4.420 nan 0.000 0.269 166 P C -2.078 175.273 177.300 0.084 0.000 1.209 166 P CA -0.841 62.274 63.100 0.025 0.000 0.776 166 P CB 0.517 32.290 31.700 0.122 0.000 0.876 167 P HA 0.055 nan 4.420 nan 0.000 0.235 167 P C 0.666 178.072 177.300 0.177 0.000 1.177 167 P CA 0.535 63.748 63.100 0.188 0.000 0.785 167 P CB -0.122 31.673 31.700 0.158 0.000 0.885 168 C N -0.259 119.125 119.300 0.139 0.000 2.413 168 C HA -0.091 4.370 4.460 0.001 0.000 0.276 168 C C 2.792 177.986 174.990 0.339 0.000 1.248 168 C CA 0.833 59.986 59.018 0.225 0.000 1.742 168 C CB -1.593 26.248 27.740 0.168 0.000 2.017 168 C HN 0.128 nan 8.230 nan 0.000 0.481 169 V N 0.781 120.789 119.914 0.157 0.000 2.469 169 V HA -0.211 3.910 4.120 0.001 0.000 0.251 169 V C 2.314 178.446 176.094 0.065 0.000 1.064 169 V CA 1.999 64.370 62.300 0.118 0.000 1.066 169 V CB -0.761 31.071 31.823 0.014 0.000 0.667 169 V HN 0.626 nan 8.190 nan 0.000 0.461 170 H N -0.714 118.471 119.070 0.192 0.000 2.561 170 H HA 0.064 4.621 4.556 0.001 0.000 0.278 170 H C 1.657 177.090 175.328 0.174 0.000 1.014 170 H CA 1.089 57.222 56.048 0.141 0.000 1.211 170 H CB 0.052 29.888 29.762 0.124 0.000 1.365 170 H HN 0.412 nan 8.280 nan 0.000 0.594 171 L N 0.411 121.815 121.223 0.303 0.000 2.766 171 L HA 0.121 4.461 4.340 0.001 0.000 0.242 171 L C 0.118 177.011 176.870 0.040 0.000 1.136 171 L CA -0.254 54.757 54.840 0.284 0.000 0.933 171 L CB 0.646 42.928 42.059 0.371 0.000 1.241 171 L HN -0.014 nan 8.230 nan 0.000 0.522 172 L N 0.487 121.638 121.223 -0.120 0.000 2.315 172 L HA 0.144 4.485 4.340 0.001 0.000 0.283 172 L C 1.070 177.912 176.870 -0.046 0.000 1.089 172 L CA 0.787 55.360 54.840 -0.444 0.000 0.833 172 L CB 0.620 42.571 42.059 -0.180 0.000 1.170 172 L HN 0.136 nan 8.230 nan 0.000 0.442 173 Q N 4.421 124.163 119.800 -0.096 0.000 2.373 173 Q HA 0.419 4.759 4.340 0.001 0.000 0.210 173 Q C -0.075 175.976 176.000 0.086 0.000 0.913 173 Q CA 0.676 56.497 55.803 0.030 0.000 0.911 173 Q CB 0.757 29.517 28.738 0.037 0.000 1.040 173 Q HN 0.750 nan 8.270 nan 0.000 0.521 174 A N 0.733 123.600 122.820 0.079 0.000 2.577 174 A HA 0.598 4.918 4.320 0.001 0.000 0.297 174 A C -1.402 176.149 177.584 -0.055 0.000 1.060 174 A CA -0.664 51.385 52.037 0.019 0.000 0.697 174 A CB 0.994 19.921 19.000 -0.122 0.000 1.281 174 A HN 0.129 nan 8.150 nan 0.000 0.402 175 I N 1.679 122.147 120.570 -0.169 0.000 2.354 175 I HA 0.372 4.543 4.170 0.001 0.000 0.292 175 I C -1.294 174.689 176.117 -0.224 0.000 0.989 175 I CA -0.465 60.738 61.300 -0.162 0.000 1.188 175 I CB 1.319 39.155 38.000 -0.273 0.000 1.342 175 I HN 0.618 nan 8.210 nan 0.000 0.457 176 Y N 5.637 126.003 120.300 0.111 0.000 2.417 176 Y HA 0.469 5.020 4.550 0.001 0.000 0.336 176 Y C 0.213 176.196 175.900 0.139 0.000 0.961 176 Y CA -0.564 57.650 58.100 0.190 0.000 1.215 176 Y CB 0.942 39.578 38.460 0.293 0.000 1.120 176 Y HN 0.453 nan 8.280 nan 0.000 0.499 177 R N 1.992 122.608 120.500 0.193 0.000 2.343 177 R HA 0.498 4.839 4.340 0.001 0.000 0.320 177 R C -0.995 175.346 176.300 0.068 0.000 0.956 177 R CA -0.382 55.768 56.100 0.084 0.000 0.836 177 R CB 0.893 31.214 30.300 0.035 0.000 1.151 177 R HN 0.552 nan 8.270 nan 0.000 0.450 178 T N 3.161 117.744 114.554 0.048 0.000 2.806 178 T HA 0.243 4.594 4.350 0.001 0.000 0.290 178 T C -0.477 174.047 174.700 -0.294 0.000 0.966 178 T CA -0.126 61.928 62.100 -0.077 0.000 1.060 178 T CB 1.457 70.365 68.868 0.066 0.000 0.927 178 T HN 0.483 nan 8.240 nan 0.000 0.485 179 T N 4.812 119.005 114.554 -0.602 0.000 2.772 179 T HA 0.417 4.767 4.350 0.001 0.000 0.288 179 T C 0.088 174.401 174.700 -0.644 0.000 0.994 179 T CA -0.714 60.960 62.100 -0.710 0.000 0.951 179 T CB 0.382 68.602 68.868 -1.079 0.000 0.933 179 T HN 0.345 nan 8.240 nan 0.000 0.447 180 I N 3.423 123.633 120.570 -0.599 0.000 2.325 180 I HA 0.273 4.444 4.170 0.001 0.000 0.291 180 I C 1.155 177.025 176.117 -0.413 0.000 1.019 180 I CA -0.397 60.556 61.300 -0.577 0.000 1.302 180 I CB 0.707 38.065 38.000 -1.070 0.000 1.401 180 I HN 0.508 nan 8.210 nan 0.000 0.485 181 R N 4.477 124.843 120.500 -0.224 0.000 4.464 181 R HA 0.409 4.749 4.340 0.001 0.000 0.229 181 R C 0.124 176.355 176.300 -0.114 0.000 1.916 181 R CA -0.114 55.915 56.100 -0.118 0.000 1.601 181 R CB -0.009 30.274 30.300 -0.028 0.000 1.315 181 R HN 0.714 nan 8.270 nan 0.000 0.725 182 A N 0.076 122.789 122.820 -0.178 0.000 2.313 182 A HA 0.687 5.008 4.320 0.001 0.000 0.323 182 A C -0.502 177.028 177.584 -0.090 0.000 1.133 182 A CA -0.536 51.437 52.037 -0.107 0.000 0.847 182 A CB 2.017 20.965 19.000 -0.088 0.000 1.308 182 A HN 0.171 nan 8.150 nan 0.000 0.475 183 S N -0.237 115.450 115.700 -0.022 0.000 2.592 183 S HA 0.553 5.024 4.470 0.001 0.000 0.275 183 S C -1.530 173.093 174.600 0.038 0.000 1.169 183 S CA -0.427 57.777 58.200 0.006 0.000 0.958 183 S CB 0.865 64.069 63.200 0.006 0.000 1.095 183 S HN 1.122 nan 8.310 nan 0.000 0.471 184 E N 1.994 122.230 120.200 0.060 0.000 2.447 184 E HA 0.415 4.766 4.350 0.001 0.000 0.279 184 E C 0.143 176.782 176.600 0.066 0.000 1.053 184 E CA -0.394 56.042 56.400 0.061 0.000 0.840 184 E CB 0.431 30.170 29.700 0.065 0.000 1.409 184 E HN 0.470 nan 8.360 nan 0.000 0.461 185 S N 0.653 116.387 115.700 0.058 0.000 2.377 185 S HA -0.159 4.312 4.470 0.001 0.000 0.223 185 S C 1.902 176.535 174.600 0.054 0.000 1.030 185 S CA 1.578 59.817 58.200 0.065 0.000 0.970 185 S CB -0.971 62.262 63.200 0.054 0.000 0.830 185 S HN 0.711 nan 8.310 nan 0.000 0.473 186 S N 1.119 116.838 115.700 0.032 0.000 2.421 186 S HA -0.208 4.263 4.470 0.001 0.000 0.239 186 S C 1.042 175.633 174.600 -0.014 0.000 1.054 186 S CA 0.948 59.153 58.200 0.007 0.000 1.035 186 S CB -1.903 61.291 63.200 -0.011 0.000 0.840 186 S HN 0.597 nan 8.310 nan 0.000 0.475 187 C N 3.042 122.318 119.300 -0.039 0.000 2.648 187 C HA 0.467 4.928 4.460 0.001 0.000 0.415 187 C C 2.039 176.969 174.990 -0.100 0.000 1.366 187 C CA 0.176 59.102 59.018 -0.153 0.000 1.756 187 C CB -0.042 27.514 27.740 -0.307 0.000 2.549 187 C HN 0.768 nan 8.230 nan 0.000 0.597 188 S N 1.781 117.452 115.700 -0.049 0.000 2.539 188 S HA 0.142 4.612 4.470 0.001 0.000 0.226 188 S C 0.065 174.817 174.600 0.254 0.000 1.054 188 S CA -0.031 58.265 58.200 0.160 0.000 0.910 188 S CB -0.107 63.157 63.200 0.107 0.000 0.818 188 S HN 0.503 nan 8.310 nan 0.000 0.490 189 V N 2.368 122.307 119.914 0.041 0.000 2.483 189 V HA 0.654 4.775 4.120 0.001 0.000 0.295 189 V C -0.980 175.122 176.094 0.013 0.000 1.035 189 V CA -0.714 61.680 62.300 0.157 0.000 0.896 189 V CB 0.636 32.525 31.823 0.110 0.000 0.986 189 V HN 0.316 nan 8.190 nan 0.000 0.447 190 F N 3.207 123.243 119.950 0.145 0.000 2.593 190 F HA 0.705 5.233 4.527 0.001 0.000 0.320 190 F C -0.637 175.290 175.800 0.211 0.000 1.060 190 F CA -1.092 56.999 58.000 0.152 0.000 0.940 190 F CB 2.110 41.163 39.000 0.088 0.000 1.268 190 F HN 0.444 nan 8.300 nan 0.000 0.475 191 F N 3.251 123.309 119.950 0.179 0.000 2.539 191 F HA 0.603 5.131 4.527 0.001 0.000 0.328 191 F C -0.946 174.866 175.800 0.020 0.000 1.148 191 F CA -0.538 57.485 58.000 0.038 0.000 0.940 191 F CB 0.805 39.718 39.000 -0.144 0.000 1.194 191 F HN 0.292 nan 8.300 nan 0.000 0.438 192 R N 5.351 125.510 120.500 -0.569 0.000 2.513 192 R HA 0.529 4.869 4.340 0.001 0.000 0.301 192 R C -1.544 174.364 176.300 -0.653 0.000 0.968 192 R CA -1.038 54.803 56.100 -0.432 0.000 0.872 192 R CB 2.308 32.497 30.300 -0.185 0.000 1.177 192 R HN 0.426 nan 8.270 nan 0.000 0.444 193 V N 5.237 124.851 119.914 -0.499 0.000 2.385 193 V HA 0.191 4.312 4.120 0.001 0.000 0.269 193 V C -1.837 174.143 176.094 -0.190 0.000 1.043 193 V CA -1.683 60.353 62.300 -0.440 0.000 0.906 193 V CB 0.988 32.566 31.823 -0.409 0.000 0.995 193 V HN 0.576 nan 8.190 nan 0.000 0.467 194 P HA 0.151 nan 4.420 nan 0.000 0.265 194 P C -0.034 177.327 177.300 0.102 0.000 1.193 194 P CA -0.074 63.040 63.100 0.024 0.000 0.765 194 P CB 0.552 32.301 31.700 0.082 0.000 0.823 195 E N 0.679 120.915 120.200 0.061 0.000 2.390 195 E HA 0.131 4.481 4.350 0.001 0.000 0.261 195 E C 0.153 176.801 176.600 0.079 0.000 1.076 195 E CA -0.269 56.173 56.400 0.071 0.000 0.905 195 E CB 0.414 30.136 29.700 0.037 0.000 0.984 195 E HN 0.312 nan 8.360 nan 0.000 0.427 196 S N 1.020 116.764 115.700 0.073 0.000 2.575 196 S HA 0.165 4.636 4.470 0.001 0.000 0.295 196 S C 0.948 175.564 174.600 0.027 0.000 1.267 196 S CA 1.066 59.293 58.200 0.045 0.000 1.074 196 S CB -0.185 63.033 63.200 0.031 0.000 0.829 196 S HN 0.799 nan 8.310 nan 0.000 0.497 197 G N 3.174 111.985 108.800 0.019 0.000 2.148 197 G HA2 -0.251 3.710 3.960 0.001 0.000 0.254 197 G HA3 -0.251 3.710 3.960 0.001 0.000 0.254 197 G C 0.177 175.088 174.900 0.018 0.000 0.981 197 G CA 0.428 45.536 45.100 0.013 0.000 0.670 197 G HN 1.148 nan 8.290 nan 0.000 0.528 198 T N -2.950 111.621 114.554 0.028 0.000 2.927 198 T HA 0.667 5.018 4.350 0.001 0.000 0.281 198 T C 1.059 175.777 174.700 0.030 0.000 0.998 198 T CA 0.277 62.392 62.100 0.026 0.000 1.019 198 T CB 2.046 70.930 68.868 0.026 0.000 1.061 198 T HN 0.150 nan 8.240 nan 0.000 0.518 199 E N 0.558 120.773 120.200 0.025 0.000 2.077 199 E HA -0.106 4.244 4.350 0.001 0.000 0.193 199 E C 2.436 179.058 176.600 0.037 0.000 0.989 199 E CA 1.149 57.567 56.400 0.029 0.000 0.800 199 E CB -0.410 29.303 29.700 0.023 0.000 0.746 199 E HN 0.806 nan 8.360 nan 0.000 0.452 200 A N 1.311 124.151 122.820 0.032 0.000 1.978 200 A HA -0.149 4.172 4.320 0.001 0.000 0.220 200 A C 2.336 179.957 177.584 0.062 0.000 1.170 200 A CA 1.587 53.645 52.037 0.036 0.000 0.636 200 A CB -0.562 18.448 19.000 0.017 0.000 0.810 200 A HN 0.303 nan 8.150 nan 0.000 0.448 201 A N -1.218 121.647 122.820 0.074 0.000 2.070 201 A HA 0.300 4.620 4.320 0.001 0.000 0.220 201 A C 1.758 179.396 177.584 0.090 0.000 1.159 201 A CA 1.483 53.587 52.037 0.110 0.000 0.656 201 A CB -0.970 18.084 19.000 0.090 0.000 0.800 201 A HN 2.108 nan 8.150 nan 0.000 0.453 202 A N -2.993 119.872 122.820 0.075 0.000 2.822 202 A HA 0.147 4.468 4.320 0.001 0.000 0.287 202 A C 1.982 179.641 177.584 0.125 0.000 1.479 202 A CA 1.529 53.624 52.037 0.097 0.000 0.779 202 A CB -1.955 17.087 19.000 0.069 0.000 1.022 202 A HN 2.564 nan 8.150 nan 0.000 0.532 203 G N -2.823 106.017 108.800 0.067 0.000 2.199 203 G HA2 -0.227 3.733 3.960 0.001 0.000 0.254 203 G HA3 -0.227 3.733 3.960 0.001 0.000 0.254 203 G C 0.191 175.080 174.900 -0.019 0.000 0.982 203 G CA 0.462 45.584 45.100 0.036 0.000 0.632 203 G HN 1.449 nan 8.290 nan 0.000 0.529 204 I N 1.080 121.617 120.570 -0.054 0.000 2.532 204 I HA 0.439 4.609 4.170 0.001 0.000 0.292 204 I C 0.281 176.240 176.117 -0.263 0.000 1.014 204 I CA -0.330 60.827 61.300 -0.239 0.000 1.340 204 I CB 1.274 39.029 38.000 -0.409 0.000 1.422 204 I HN 0.095 nan 8.210 nan 0.000 0.528 205 E N 5.164 125.160 120.200 -0.341 0.000 2.346 205 E HA 0.187 4.537 4.350 0.001 0.000 0.239 205 E C -1.600 174.853 176.600 -0.247 0.000 0.943 205 E CA -0.499 55.781 56.400 -0.200 0.000 0.751 205 E CB 0.713 30.347 29.700 -0.111 0.000 1.241 205 E HN 0.383 nan 8.360 nan 0.000 0.423 206 W N 2.676 123.972 121.300 -0.007 0.000 2.251 206 W HA 0.061 4.722 4.660 0.001 0.000 0.327 206 W C 0.740 177.255 176.519 -0.006 0.000 1.361 206 W CA -0.120 57.219 57.345 -0.009 0.000 1.234 206 W CB 0.562 30.017 29.460 -0.008 0.000 1.212 206 W HN 0.235 nan 8.180 nan 0.000 0.557 207 Q N 2.590 122.533 119.800 0.239 0.000 2.387 207 Q HA 0.394 4.735 4.340 0.001 0.000 0.273 207 Q C -0.585 175.501 176.000 0.143 0.000 1.089 207 Q CA -1.469 54.416 55.803 0.138 0.000 0.824 207 Q CB 2.566 31.346 28.738 0.070 0.000 1.367 207 Q HN 0.443 nan 8.270 nan 0.000 0.443 208 R N 1.610 122.170 120.500 0.100 0.000 2.248 208 R HA 0.044 4.384 4.340 0.001 0.000 0.328 208 R C 0.788 177.136 176.300 0.080 0.000 1.067 208 R CA 0.234 56.386 56.100 0.086 0.000 0.924 208 R CB 0.572 30.913 30.300 0.068 0.000 1.013 208 R HN 0.773 nan 8.270 nan 0.000 0.454 209 E N 2.176 122.426 120.200 0.084 0.000 2.075 209 E HA -0.029 4.322 4.350 0.001 0.000 0.190 209 E C -0.358 176.301 176.600 0.098 0.000 0.969 209 E CA 1.119 57.578 56.400 0.098 0.000 0.815 209 E CB 0.443 30.202 29.700 0.099 0.000 0.776 209 E HN 0.751 nan 8.360 nan 0.000 0.457 210 T N -1.416 113.193 114.554 0.093 0.000 2.894 210 T HA 0.596 4.947 4.350 0.001 0.000 0.309 210 T C -0.692 174.067 174.700 0.098 0.000 1.208 210 T CA -0.857 61.301 62.100 0.097 0.000 1.016 210 T CB 1.961 70.899 68.868 0.118 0.000 1.192 210 T HN 0.126 nan 8.240 nan 0.000 0.491 211 I N 1.964 122.585 120.570 0.085 0.000 2.571 211 I HA 0.543 4.713 4.170 0.001 0.000 0.289 211 I C 0.129 176.290 176.117 0.074 0.000 1.115 211 I CA -0.488 60.865 61.300 0.088 0.000 1.045 211 I CB 2.049 40.070 38.000 0.035 0.000 1.238 211 I HN 1.065 nan 8.210 nan 0.000 0.424 212 S N 4.888 120.658 115.700 0.116 0.000 2.608 212 S HA 0.339 4.810 4.470 0.001 0.000 0.261 212 S C 0.108 174.699 174.600 -0.015 0.000 1.314 212 S CA -0.493 57.760 58.200 0.087 0.000 0.992 212 S CB 0.770 64.076 63.200 0.176 0.000 0.935 212 S HN 0.724 nan 8.310 nan 0.000 0.564 213 E N 0.299 120.475 120.200 -0.041 0.000 2.410 213 E HA 0.094 4.444 4.350 0.001 0.000 0.255 213 E C -0.059 176.443 176.600 -0.164 0.000 1.194 213 E CA -0.233 56.107 56.400 -0.100 0.000 0.955 213 E CB 0.360 30.014 29.700 -0.077 0.000 0.988 213 E HN 0.749 nan 8.360 nan 0.000 0.461 214 E N 1.371 121.458 120.200 -0.189 0.000 2.366 214 E HA 0.099 4.449 4.350 0.001 0.000 0.266 214 E C -1.116 175.319 176.600 -0.276 0.000 1.015 214 E CA 0.017 56.286 56.400 -0.219 0.000 0.906 214 E CB 0.345 29.942 29.700 -0.173 0.000 0.979 214 E HN 0.240 nan 8.360 nan 0.000 0.443 215 L N 3.194 124.114 121.223 -0.504 0.000 2.319 215 L HA 0.479 4.820 4.340 0.001 0.000 0.267 215 L C -0.307 176.303 176.870 -0.433 0.000 1.011 215 L CA -0.910 53.592 54.840 -0.564 0.000 0.818 215 L CB 2.412 43.928 42.059 -0.906 0.000 1.316 215 L HN 0.487 nan 8.230 nan 0.000 0.432 216 T N 0.264 114.752 114.554 -0.110 0.000 2.779 216 T HA 0.223 4.574 4.350 0.001 0.000 0.280 216 T C -0.182 174.668 174.700 0.250 0.000 0.987 216 T CA -0.377 61.768 62.100 0.074 0.000 0.966 216 T CB 1.513 70.398 68.868 0.029 0.000 0.933 216 T HN 0.507 nan 8.240 nan 0.000 0.442 217 S N 2.092 117.971 115.700 0.299 0.000 2.549 217 S HA 0.414 4.885 4.470 0.001 0.000 0.279 217 S C 0.835 175.484 174.600 0.081 0.000 1.321 217 S CA -0.790 57.508 58.200 0.163 0.000 1.054 217 S CB 0.135 63.328 63.200 -0.011 0.000 0.899 217 S HN 0.824 nan 8.310 nan 0.000 0.497 218 A N 4.711 127.568 122.820 0.062 0.000 3.135 218 A HA 0.221 4.541 4.320 0.001 0.000 0.253 218 A C 0.897 178.493 177.584 0.019 0.000 1.638 218 A CA -0.493 51.568 52.037 0.040 0.000 1.295 218 A CB -0.882 18.143 19.000 0.042 0.000 1.106 218 A HN 0.861 nan 8.150 nan 0.000 0.648 219 N N -0.428 118.280 118.700 0.013 0.000 2.204 219 N HA 0.299 5.040 4.740 0.001 0.000 0.219 219 N C 0.876 176.390 175.510 0.007 0.000 1.151 219 N CA 0.694 53.746 53.050 0.003 0.000 0.867 219 N CB 0.338 38.821 38.487 -0.007 0.000 1.043 219 N HN 0.658 nan 8.380 nan 0.000 0.516 220 G N 0.631 109.438 108.800 0.011 0.000 3.211 220 G HA2 -0.288 3.672 3.960 0.001 0.000 0.206 220 G HA3 -0.288 3.672 3.960 0.001 0.000 0.206 220 G C 0.029 174.937 174.900 0.013 0.000 1.418 220 G CA -0.074 45.032 45.100 0.010 0.000 0.958 220 G HN 0.465 nan 8.290 nan 0.000 0.567 221 N N 1.587 120.295 118.700 0.014 0.000 2.285 221 N HA 0.459 5.200 4.740 0.001 0.000 0.262 221 N C 0.050 175.571 175.510 0.019 0.000 1.299 221 N CA 0.379 53.438 53.050 0.015 0.000 0.930 221 N CB 0.091 38.588 38.487 0.017 0.000 1.157 221 N HN 0.480 nan 8.380 nan 0.000 0.532 222 E N -0.478 119.734 120.200 0.018 0.000 2.947 222 E HA 0.195 4.546 4.350 0.001 0.000 0.229 222 E C -0.906 175.712 176.600 0.029 0.000 1.158 222 E CA -0.246 56.168 56.400 0.024 0.000 1.441 222 E CB -0.122 29.587 29.700 0.015 0.000 1.414 222 E HN 0.327 nan 8.360 nan 0.000 0.432 223 T N 2.547 117.122 114.554 0.036 0.000 2.761 223 T HA 0.043 4.393 4.350 0.001 0.000 0.287 223 T C 0.357 175.110 174.700 0.089 0.000 0.931 223 T CA -0.228 61.892 62.100 0.033 0.000 1.164 223 T CB 0.222 69.094 68.868 0.007 0.000 0.876 223 T HN -0.020 nan 8.240 nan 0.000 0.534 224 K N 3.439 123.865 120.400 0.043 0.000 2.295 224 K HA 0.356 4.677 4.320 0.001 0.000 0.270 224 K C -0.230 176.406 176.600 0.060 0.000 1.011 224 K CA -0.311 55.989 56.287 0.023 0.000 0.953 224 K CB 0.649 33.134 32.500 -0.023 0.000 0.956 224 K HN 0.808 nan 8.250 nan 0.000 0.477 225 Y N -0.982 119.232 120.300 -0.143 0.000 2.641 225 Y HA 0.553 5.104 4.550 0.001 0.000 0.333 225 Y C -1.539 174.205 175.900 -0.260 0.000 1.174 225 Y CA -1.663 56.267 58.100 -0.282 0.000 1.057 225 Y CB 0.862 39.089 38.460 -0.388 0.000 1.322 225 Y HN 0.618 nan 8.280 nan 0.000 0.457 226 Y N -0.368 119.648 120.300 -0.475 0.000 2.597 226 Y HA 0.850 5.401 4.550 0.001 0.000 0.340 226 Y C -2.210 173.337 175.900 -0.588 0.000 1.097 226 Y CA -2.584 55.155 58.100 -0.602 0.000 1.037 226 Y CB 1.211 39.467 38.460 -0.340 0.000 1.305 226 Y HN 0.519 nan 8.280 nan 0.000 0.463 227 F N 1.049 120.985 119.950 -0.024 0.000 2.458 227 F HA 0.652 5.179 4.527 0.001 0.000 0.330 227 F C -0.147 175.664 175.800 0.018 0.000 1.082 227 F CA -0.897 57.013 58.000 -0.150 0.000 0.995 227 F CB 2.004 40.749 39.000 -0.425 0.000 1.170 227 F HN 0.648 nan 8.300 nan 0.000 0.478 228 E N 0.877 121.203 120.200 0.210 0.000 2.356 228 E HA 0.414 4.765 4.350 0.001 0.000 0.275 228 E C -1.754 174.924 176.600 0.130 0.000 0.904 228 E CA -1.294 55.213 56.400 0.178 0.000 0.757 228 E CB 2.913 32.719 29.700 0.176 0.000 1.232 228 E HN 0.533 nan 8.360 nan 0.000 0.442 229 K N 3.428 123.879 120.400 0.084 0.000 2.274 229 K HA 0.409 4.730 4.320 0.001 0.000 0.262 229 K C -1.263 175.315 176.600 -0.037 0.000 0.961 229 K CA -0.642 55.613 56.287 -0.054 0.000 0.833 229 K CB 0.966 33.433 32.500 -0.054 0.000 1.102 229 K HN 0.577 nan 8.250 nan 0.000 0.436 230 L N 6.750 127.927 121.223 -0.077 0.000 2.341 230 L HA 0.584 4.924 4.340 0.001 0.000 0.278 230 L C -0.073 176.907 176.870 0.183 0.000 1.005 230 L CA -1.072 53.807 54.840 0.065 0.000 0.818 230 L CB 1.467 43.538 42.059 0.021 0.000 1.259 230 L HN 0.605 nan 8.230 nan 0.000 0.418 231 I N 0.727 121.466 120.570 0.283 0.000 2.730 231 I HA 0.635 4.805 4.170 0.001 0.000 0.298 231 I C -2.721 173.470 176.117 0.123 0.000 1.089 231 I CA -2.515 58.928 61.300 0.238 0.000 1.041 231 I CB 2.654 40.700 38.000 0.077 0.000 1.235 231 I HN 0.272 nan 8.210 nan 0.000 0.423 232 P HA 0.179 nan 4.420 nan 0.000 0.287 232 P C -0.703 176.405 177.300 -0.321 0.000 1.294 232 P CA -0.305 62.424 63.100 -0.619 0.000 0.776 232 P CB 0.912 32.101 31.700 -0.851 0.000 0.889 233 R N 3.828 124.168 120.500 -0.266 0.000 2.501 233 R HA -0.066 4.275 4.340 0.001 0.000 0.319 233 R C 0.258 176.455 176.300 -0.172 0.000 0.913 233 R CA 0.171 56.173 56.100 -0.162 0.000 1.104 233 R CB -0.319 29.906 30.300 -0.124 0.000 0.901 233 R HN 0.346 nan 8.270 nan 0.000 0.407 234 N N 4.530 123.133 118.700 -0.163 0.000 2.807 234 N HA 0.030 4.770 4.740 0.001 0.000 0.259 234 N C 0.593 176.023 175.510 -0.133 0.000 1.149 234 N CA -0.115 52.809 53.050 -0.210 0.000 1.042 234 N CB 0.428 38.715 38.487 -0.333 0.000 1.367 234 N HN 0.506 nan 8.380 nan 0.000 0.516 235 R N 1.528 121.967 120.500 -0.102 0.000 2.091 235 R HA -0.130 4.210 4.340 0.001 0.000 0.238 235 R C 1.120 177.391 176.300 -0.048 0.000 1.136 235 R CA 1.206 57.265 56.100 -0.068 0.000 0.959 235 R CB -0.004 30.255 30.300 -0.069 0.000 0.856 235 R HN 0.625 nan 8.270 nan 0.000 0.437 236 E N 0.498 120.684 120.200 -0.024 0.000 2.058 236 E HA -0.232 4.118 4.350 0.001 0.000 0.194 236 E C 1.960 178.662 176.600 0.170 0.000 0.997 236 E CA 1.415 57.831 56.400 0.027 0.000 0.801 236 E CB -0.030 29.836 29.700 0.275 0.000 0.746 236 E HN 0.388 nan 8.360 nan 0.000 0.450 237 E N 0.714 121.031 120.200 0.196 0.000 2.150 237 E HA -0.197 4.154 4.350 0.001 0.000 0.193 237 E C 1.705 178.433 176.600 0.213 0.000 0.985 237 E CA 0.930 57.497 56.400 0.277 0.000 0.814 237 E CB 0.144 29.916 29.700 0.120 0.000 0.752 237 E HN 0.241 nan 8.360 nan 0.000 0.466 238 E N 0.305 120.559 120.200 0.089 0.000 2.110 238 E HA -0.236 4.115 4.350 0.001 0.000 0.193 238 E C 2.160 178.792 176.600 0.053 0.000 0.988 238 E CA 0.920 57.355 56.400 0.057 0.000 0.804 238 E CB -0.040 29.662 29.700 0.002 0.000 0.745 238 E HN 0.379 nan 8.360 nan 0.000 0.458 239 Q N 0.010 119.830 119.800 0.034 0.000 2.012 239 Q HA -0.281 4.059 4.340 0.001 0.000 0.211 239 Q C 2.068 178.106 176.000 0.065 0.000 1.009 239 Q CA 2.237 58.041 55.803 0.002 0.000 0.866 239 Q CB -0.466 28.223 28.738 -0.082 0.000 0.945 239 Q HN 0.383 nan 8.270 nan 0.000 0.414 240 Y N 1.181 121.507 120.300 0.044 0.000 2.053 240 Y HA -0.297 4.254 4.550 0.001 0.000 0.277 240 Y C 1.954 177.870 175.900 0.028 0.000 1.159 240 Y CA 1.918 60.058 58.100 0.067 0.000 1.125 240 Y CB -0.476 38.078 38.460 0.157 0.000 0.969 240 Y HN 0.051 nan 8.280 nan 0.000 0.492 241 L N -0.703 120.549 121.223 0.048 0.000 2.042 241 L HA -0.287 4.053 4.340 0.001 0.000 0.210 241 L C 2.589 179.389 176.870 -0.117 0.000 1.076 241 L CA 1.603 56.398 54.840 -0.075 0.000 0.749 241 L CB -0.941 41.150 42.059 0.055 0.000 0.893 241 L HN 0.209 nan 8.230 nan 0.000 0.432 242 S N 0.130 115.789 115.700 -0.069 0.000 2.365 242 S HA -0.217 4.254 4.470 0.001 0.000 0.225 242 S C 1.855 176.394 174.600 -0.103 0.000 1.039 242 S CA 1.613 59.770 58.200 -0.072 0.000 1.033 242 S CB -0.409 62.759 63.200 -0.054 0.000 0.887 242 S HN 0.250 nan 8.310 nan 0.000 0.447 243 L N 1.876 123.019 121.223 -0.133 0.000 2.046 243 L HA -0.023 4.318 4.340 0.001 0.000 0.208 243 L C 2.197 178.955 176.870 -0.187 0.000 1.077 243 L CA 1.521 56.271 54.840 -0.149 0.000 0.747 243 L CB -0.924 41.043 42.059 -0.153 0.000 0.896 243 L HN 0.149 nan 8.230 nan 0.000 0.432 244 V N -0.094 119.648 119.914 -0.286 0.000 2.287 244 V HA -0.323 3.798 4.120 0.001 0.000 0.248 244 V C 2.373 178.380 176.094 -0.145 0.000 1.053 244 V CA 2.030 64.172 62.300 -0.264 0.000 1.027 244 V CB -0.825 30.777 31.823 -0.369 0.000 0.646 244 V HN 0.534 nan 8.190 nan 0.000 0.447 245 D N -0.187 120.139 120.400 -0.122 0.000 2.117 245 D HA -0.227 4.413 4.640 0.001 0.000 0.197 245 D C 2.354 178.616 176.300 -0.063 0.000 0.987 245 D CA 1.447 55.401 54.000 -0.076 0.000 0.829 245 D CB -0.171 40.591 40.800 -0.063 0.000 0.961 245 D HN 0.252 nan 8.370 nan 0.000 0.460 246 R N -0.304 120.154 120.500 -0.070 0.000 2.092 246 R HA -0.039 4.302 4.340 0.001 0.000 0.231 246 R C 2.348 178.618 176.300 -0.050 0.000 1.119 246 R CA 0.943 57.010 56.100 -0.055 0.000 0.970 246 R CB -0.191 30.075 30.300 -0.057 0.000 0.864 246 R HN 0.303 nan 8.270 nan 0.000 0.440 247 I N 0.368 120.901 120.570 -0.062 0.000 2.252 247 I HA -0.283 3.888 4.170 0.001 0.000 0.245 247 I C 2.115 178.208 176.117 -0.039 0.000 1.102 247 I CA 1.212 62.481 61.300 -0.051 0.000 1.385 247 I CB -0.128 37.834 38.000 -0.064 0.000 1.064 247 I HN 0.187 nan 8.210 nan 0.000 0.414 248 I N 0.444 120.990 120.570 -0.040 0.000 2.226 248 I HA -0.266 3.904 4.170 0.001 0.000 0.245 248 I C 2.569 178.672 176.117 -0.023 0.000 1.100 248 I CA 1.506 62.790 61.300 -0.026 0.000 1.374 248 I CB -0.347 37.640 38.000 -0.022 0.000 1.057 248 I HN 0.174 nan 8.210 nan 0.000 0.413 249 R N 0.215 120.700 120.500 -0.026 0.000 2.127 249 R HA -0.001 4.340 4.340 0.001 0.000 0.217 249 R C 1.554 177.842 176.300 -0.020 0.000 1.074 249 R CA 0.870 56.957 56.100 -0.021 0.000 0.991 249 R CB -0.003 30.284 30.300 -0.022 0.000 0.895 249 R HN 0.370 nan 8.270 nan 0.000 0.450 250 E N -0.280 119.907 120.200 -0.022 0.000 2.541 250 E HA 0.126 4.477 4.350 0.001 0.000 0.219 250 E C 0.364 176.955 176.600 -0.017 0.000 0.922 250 E CA -0.288 56.102 56.400 -0.018 0.000 1.095 250 E CB 1.118 30.807 29.700 -0.018 0.000 1.112 250 E HN 0.237 nan 8.360 nan 0.000 0.516 251 G N 1.136 109.923 108.800 -0.021 0.000 2.544 251 G HA2 0.066 4.027 3.960 0.001 0.000 0.242 251 G HA3 0.066 4.027 3.960 0.001 0.000 0.242 251 G C -0.024 174.861 174.900 -0.026 0.000 1.247 251 G CA -0.443 44.645 45.100 -0.020 0.000 0.840 251 G HN 0.029 nan 8.290 nan 0.000 0.578 252 N N -0.580 118.104 118.700 -0.028 0.000 2.515 252 N HA 0.187 4.927 4.740 0.001 0.000 0.279 252 N C -0.184 175.284 175.510 -0.069 0.000 1.164 252 N CA -0.467 52.559 53.050 -0.040 0.000 0.982 252 N CB 2.031 40.496 38.487 -0.035 0.000 1.170 252 N HN 0.135 nan 8.380 nan 0.000 0.474 253 V N 1.855 121.720 119.914 -0.081 0.000 2.488 253 V HA 0.157 4.278 4.120 0.001 0.000 0.277 253 V C 0.464 176.442 176.094 -0.193 0.000 1.046 253 V CA 0.227 62.440 62.300 -0.145 0.000 0.986 253 V CB 0.097 31.849 31.823 -0.118 0.000 0.989 253 V HN 0.523 nan 8.190 nan 0.000 0.475 254 K N 3.058 123.281 120.400 -0.295 0.000 2.477 254 K HA 0.623 4.943 4.320 0.001 0.000 0.255 254 K C -1.473 174.858 176.600 -0.448 0.000 0.952 254 K CA -1.012 55.111 56.287 -0.273 0.000 0.826 254 K CB 2.343 34.738 32.500 -0.175 0.000 1.331 254 K HN 0.751 nan 8.250 nan 0.000 0.437 255 H N 0.650 119.692 119.070 -0.046 0.000 2.547 255 H HA 0.112 4.669 4.556 0.001 0.000 0.342 255 H C -0.523 174.790 175.328 -0.024 0.000 1.048 255 H CA -0.812 55.222 56.048 -0.024 0.000 1.204 255 H CB 1.280 31.039 29.762 -0.005 0.000 1.493 255 H HN 0.631 nan 8.280 nan 0.000 0.511 256 D N 1.374 121.829 120.400 0.092 0.000 2.440 256 D HA 0.056 4.697 4.640 0.001 0.000 0.269 256 D C 1.343 177.697 176.300 0.089 0.000 1.249 256 D CA -0.609 53.427 54.000 0.060 0.000 1.055 256 D CB 0.850 41.687 40.800 0.060 0.000 1.104 256 D HN 0.242 nan 8.370 nan 0.000 0.561 257 R N -1.008 119.543 120.500 0.085 0.000 2.112 257 R HA -0.163 4.178 4.340 0.001 0.000 0.242 257 R C 2.262 178.607 176.300 0.074 0.000 1.137 257 R CA 2.409 58.557 56.100 0.081 0.000 0.944 257 R CB -1.627 28.733 30.300 0.100 0.000 0.857 257 R HN 0.839 nan 8.270 nan 0.000 0.435 258 T N -3.218 111.386 114.554 0.085 0.000 2.951 258 T HA 0.051 4.401 4.350 0.001 0.000 0.268 258 T C 1.341 176.074 174.700 0.055 0.000 1.073 258 T CA 1.509 63.650 62.100 0.067 0.000 1.134 258 T CB 0.244 69.151 68.868 0.065 0.000 0.884 258 T HN 0.498 nan 8.240 nan 0.000 0.479 259 G N 0.116 108.963 108.800 0.078 0.000 2.159 259 G HA2 -0.103 3.857 3.960 0.001 0.000 0.170 259 G HA3 -0.103 3.857 3.960 0.001 0.000 0.170 259 G C -0.092 174.888 174.900 0.133 0.000 1.007 259 G CA -0.200 44.940 45.100 0.068 0.000 0.672 259 G HN 0.652 nan 8.290 nan 0.000 0.507 260 V N 1.351 121.365 119.914 0.166 0.000 2.583 260 V HA 0.617 4.738 4.120 0.001 0.000 0.287 260 V C 1.542 177.798 176.094 0.270 0.000 1.051 260 V CA 0.247 62.664 62.300 0.196 0.000 1.010 260 V CB 1.387 33.289 31.823 0.131 0.000 0.988 260 V HN 0.711 nan 8.190 nan 0.000 0.478 261 G N 3.061 112.009 108.800 0.248 0.000 2.491 261 G HA2 0.421 4.382 3.960 0.001 0.000 0.238 261 G HA3 0.421 4.382 3.960 0.001 0.000 0.238 261 G C -0.177 174.699 174.900 -0.039 0.000 1.277 261 G CA 0.148 45.276 45.100 0.047 0.000 0.851 261 G HN 0.693 nan 8.290 nan 0.000 0.573 262 T N 1.061 115.478 114.554 -0.228 0.000 2.982 262 T HA 0.432 4.783 4.350 0.001 0.000 0.321 262 T C -0.465 174.115 174.700 -0.201 0.000 1.229 262 T CA -0.449 61.497 62.100 -0.258 0.000 1.044 262 T CB 1.063 69.682 68.868 -0.415 0.000 1.184 262 T HN 0.383 nan 8.240 nan 0.000 0.477 263 L N 2.629 123.772 121.223 -0.133 0.000 2.295 263 L HA 0.782 5.123 4.340 0.001 0.000 0.285 263 L C 0.076 176.915 176.870 -0.051 0.000 1.035 263 L CA -0.636 54.154 54.840 -0.083 0.000 0.806 263 L CB 1.769 43.798 42.059 -0.051 0.000 1.214 263 L HN 0.537 nan 8.230 nan 0.000 0.426 264 S N 3.432 119.110 115.700 -0.038 0.000 2.541 264 S HA 0.807 5.278 4.470 0.001 0.000 0.280 264 S C -0.825 173.786 174.600 0.019 0.000 1.112 264 S CA -0.583 57.620 58.200 0.005 0.000 0.925 264 S CB 1.543 64.737 63.200 -0.010 0.000 1.067 264 S HN 0.458 nan 8.310 nan 0.000 0.479 265 I N 0.896 121.493 120.570 0.045 0.000 3.002 265 I HA 0.862 5.032 4.170 0.001 0.000 0.310 265 I C -1.481 174.734 176.117 0.163 0.000 1.087 265 I CA -1.023 60.320 61.300 0.072 0.000 1.017 265 I CB 1.590 39.602 38.000 0.021 0.000 1.226 265 I HN 0.545 nan 8.210 nan 0.000 0.443 266 F N 2.890 122.827 119.950 -0.023 0.000 2.477 266 F HA 0.771 5.299 4.527 0.001 0.000 0.335 266 F C 0.319 176.108 175.800 -0.018 0.000 1.130 266 F CA -0.312 57.678 58.000 -0.016 0.000 0.948 266 F CB 1.242 40.238 39.000 -0.006 0.000 1.154 266 F HN 1.073 nan 8.300 nan 0.000 0.439 267 G N 4.320 112.778 108.800 -0.569 0.000 3.313 267 G HA2 0.466 4.427 3.960 0.001 0.000 0.563 267 G HA3 0.466 4.427 3.960 0.001 0.000 0.563 267 G C -1.106 173.642 174.900 -0.253 0.000 1.037 267 G CA -0.231 44.546 45.100 -0.538 0.000 0.848 267 G HN 1.583 nan 8.290 nan 0.000 0.416 268 A N 2.361 125.058 122.820 -0.205 0.000 2.569 268 A HA 0.994 5.315 4.320 0.001 0.000 0.290 268 A C -0.328 177.185 177.584 -0.118 0.000 1.136 268 A CA -0.121 51.833 52.037 -0.138 0.000 0.710 268 A CB 2.106 21.034 19.000 -0.120 0.000 1.303 268 A HN 1.411 nan 8.150 nan 0.000 0.413 269 Q N 0.411 120.157 119.800 -0.090 0.000 2.281 269 Q HA 0.639 4.979 4.340 0.001 0.000 0.263 269 Q C -1.732 174.228 176.000 -0.066 0.000 0.989 269 Q CA -0.231 55.534 55.803 -0.064 0.000 0.852 269 Q CB 1.684 30.383 28.738 -0.065 0.000 1.337 269 Q HN 0.819 nan 8.270 nan 0.000 0.418 270 M N 2.017 121.597 119.600 -0.033 0.000 2.724 270 M HA 0.631 5.112 4.480 0.001 0.000 0.310 270 M C -0.738 175.481 176.300 -0.135 0.000 1.217 270 M CA -0.767 54.463 55.300 -0.117 0.000 0.894 270 M CB 2.569 35.121 32.600 -0.080 0.000 1.719 270 M HN 0.447 nan 8.290 nan 0.000 0.479 271 R N 1.255 121.520 120.500 -0.391 0.000 2.574 271 R HA 0.691 5.032 4.340 0.001 0.000 0.288 271 R C -2.270 173.720 176.300 -0.517 0.000 1.004 271 R CA -0.333 55.607 56.100 -0.266 0.000 0.895 271 R CB 1.459 31.665 30.300 -0.156 0.000 1.191 271 R HN 0.604 nan 8.270 nan 0.000 0.444 272 F N 1.056 121.023 119.950 0.029 0.000 2.556 272 F HA 0.372 4.899 4.527 0.001 0.000 0.314 272 F C 0.286 176.095 175.800 0.015 0.000 1.106 272 F CA -0.798 57.220 58.000 0.029 0.000 0.911 272 F CB 2.467 41.458 39.000 -0.015 0.000 1.190 272 F HN 0.338 nan 8.300 nan 0.000 0.448 273 S N 2.248 118.063 115.700 0.192 0.000 2.489 273 S HA 0.389 4.859 4.470 0.001 0.000 0.277 273 S C 0.302 174.955 174.600 0.089 0.000 1.230 273 S CA -0.462 57.809 58.200 0.117 0.000 1.053 273 S CB 0.428 63.680 63.200 0.087 0.000 0.955 273 S HN 0.573 nan 8.310 nan 0.000 0.488 274 L N 4.656 125.923 121.223 0.073 0.000 2.640 274 L HA 0.364 4.705 4.340 0.001 0.000 0.230 274 L C 1.224 178.130 176.870 0.059 0.000 1.123 274 L CA 0.516 55.384 54.840 0.047 0.000 0.900 274 L CB -0.618 41.479 42.059 0.064 0.000 1.146 274 L HN 0.606 nan 8.230 nan 0.000 0.484 275 R N 1.513 122.053 120.500 0.067 0.000 2.623 275 R HA 0.054 4.395 4.340 0.001 0.000 0.271 275 R C 0.185 176.544 176.300 0.099 0.000 1.043 275 R CA -0.093 56.052 56.100 0.074 0.000 1.083 275 R CB 0.040 30.376 30.300 0.060 0.000 0.974 275 R HN 0.227 nan 8.270 nan 0.000 0.436 276 N N 2.671 121.436 118.700 0.108 0.000 2.727 276 N HA -0.227 4.514 4.740 0.001 0.000 0.251 276 N C -0.776 174.870 175.510 0.226 0.000 1.040 276 N CA 1.240 54.378 53.050 0.146 0.000 0.712 276 N CB -1.261 37.315 38.487 0.149 0.000 0.912 276 N HN 0.852 nan 8.380 nan 0.000 0.545 277 N N -2.424 116.388 118.700 0.186 0.000 2.863 277 N HA -0.215 4.525 4.740 0.001 0.000 0.245 277 N C -0.385 175.240 175.510 0.191 0.000 1.001 277 N CA 1.133 54.318 53.050 0.224 0.000 0.901 277 N CB -0.414 38.235 38.487 0.270 0.000 1.124 277 N HN 0.442 nan 8.380 nan 0.000 0.582 278 R N 0.631 121.173 120.500 0.070 0.000 2.570 278 R HA 0.302 4.643 4.340 0.001 0.000 0.277 278 R C -0.151 176.029 176.300 -0.201 0.000 1.039 278 R CA -0.059 55.930 56.100 -0.185 0.000 1.065 278 R CB 0.339 30.591 30.300 -0.080 0.000 0.964 278 R HN 0.296 nan 8.270 nan 0.000 0.428 279 L N 5.765 126.780 121.223 -0.346 0.000 2.441 279 L HA 0.384 4.725 4.340 0.001 0.000 0.270 279 L C -2.180 174.290 176.870 -0.667 0.000 0.973 279 L CA -1.625 52.968 54.840 -0.412 0.000 0.842 279 L CB 2.338 44.127 42.059 -0.450 0.000 1.239 279 L HN 0.401 nan 8.230 nan 0.000 0.406 280 P HA 0.056 nan 4.420 nan 0.000 0.231 280 P C -0.469 176.219 177.300 -1.019 0.000 1.756 280 P CA 0.150 62.348 63.100 -1.503 0.000 0.990 280 P CB -0.227 30.832 31.700 -1.068 0.000 1.973 281 L N 2.297 123.079 121.223 -0.735 0.000 2.325 281 L HA 0.139 4.480 4.340 0.001 0.000 0.284 281 L C 0.710 177.601 176.870 0.035 0.000 1.089 281 L CA -0.983 53.623 54.840 -0.391 0.000 0.836 281 L CB 0.452 42.103 42.059 -0.679 0.000 1.184 281 L HN 0.039 nan 8.230 nan 0.000 0.444 282 L N 3.740 125.003 121.223 0.066 0.000 2.559 282 L HA -0.081 4.260 4.340 0.001 0.000 0.282 282 L C 1.591 178.671 176.870 0.351 0.000 1.232 282 L CA 0.909 55.896 54.840 0.244 0.000 0.885 282 L CB 0.928 42.970 42.059 -0.028 0.000 1.131 282 L HN 0.698 nan 8.230 nan 0.000 0.498 283 T N -3.906 110.847 114.554 0.332 0.000 3.015 283 T HA -0.030 4.321 4.350 0.001 0.000 0.250 283 T C 1.338 176.217 174.700 0.299 0.000 1.057 283 T CA 0.497 62.765 62.100 0.280 0.000 1.066 283 T CB -0.234 68.762 68.868 0.213 0.000 0.959 283 T HN 0.652 nan 8.240 nan 0.000 0.488 284 T N -0.646 114.051 114.554 0.239 0.000 3.072 284 T HA 0.202 4.553 4.350 0.001 0.000 0.266 284 T C 0.476 175.252 174.700 0.128 0.000 1.127 284 T CA 0.208 62.395 62.100 0.146 0.000 1.107 284 T CB -0.146 68.743 68.868 0.035 0.000 0.910 284 T HN 0.517 nan 8.240 nan 0.000 0.513 285 K N 0.656 121.148 120.400 0.152 0.000 2.561 285 K HA 0.357 4.678 4.320 0.001 0.000 0.254 285 K C -1.187 175.506 176.600 0.154 0.000 0.942 285 K CA -0.822 55.543 56.287 0.130 0.000 0.818 285 K CB 2.104 34.668 32.500 0.107 0.000 1.306 285 K HN 0.061 nan 8.250 nan 0.000 0.435 286 R N 3.016 123.601 120.500 0.141 0.000 2.484 286 R HA 0.136 4.476 4.340 0.001 0.000 0.293 286 R C -0.819 175.628 176.300 0.245 0.000 1.023 286 R CA -0.185 56.031 56.100 0.193 0.000 1.037 286 R CB 0.514 30.895 30.300 0.135 0.000 0.951 286 R HN 0.286 nan 8.270 nan 0.000 0.418 287 V N 6.396 126.503 119.914 0.321 0.000 2.509 287 V HA 0.094 4.215 4.120 0.001 0.000 0.284 287 V C 0.148 176.430 176.094 0.314 0.000 1.047 287 V CA -0.497 61.953 62.300 0.250 0.000 0.952 287 V CB 1.049 32.941 31.823 0.115 0.000 0.988 287 V HN 0.643 nan 8.190 nan 0.000 0.469 288 F N 6.164 126.191 119.950 0.128 0.000 2.677 288 F HA 0.083 4.611 4.527 0.001 0.000 0.358 288 F C 1.024 176.806 175.800 -0.030 0.000 1.266 288 F CA -0.995 57.068 58.000 0.106 0.000 1.262 288 F CB -0.380 38.721 39.000 0.169 0.000 1.684 288 F HN 0.819 nan 8.300 nan 0.000 0.671 289 W N 5.056 126.244 121.300 -0.186 0.000 2.342 289 W HA -0.223 4.437 4.660 0.001 0.000 0.297 289 W C 1.777 178.002 176.519 -0.491 0.000 1.213 289 W CA 1.536 58.648 57.345 -0.388 0.000 1.251 289 W CB -0.235 29.055 29.460 -0.284 0.000 1.136 289 W HN 0.513 nan 8.180 nan 0.000 0.526 290 R N 0.539 120.709 120.500 -0.550 0.000 2.105 290 R HA -0.126 4.215 4.340 0.001 0.000 0.239 290 R C 2.551 178.273 176.300 -0.964 0.000 1.135 290 R CA 2.035 57.751 56.100 -0.639 0.000 0.967 290 R CB -0.927 29.288 30.300 -0.142 0.000 0.861 290 R HN 0.248 nan 8.270 nan 0.000 0.442 291 G N -0.383 107.410 108.800 -1.678 0.000 2.403 291 G HA2 -0.159 3.802 3.960 0.001 0.000 0.216 291 G HA3 -0.159 3.802 3.960 0.001 0.000 0.216 291 G C 1.379 175.864 174.900 -0.692 0.000 1.154 291 G CA 0.612 45.002 45.100 -1.184 0.000 0.784 291 G HN 0.198 nan 8.290 nan 0.000 0.538 292 V N 0.280 119.559 119.914 -1.058 0.000 2.332 292 V HA -0.235 3.886 4.120 0.001 0.000 0.248 292 V C 2.925 178.503 176.094 -0.860 0.000 1.055 292 V CA 1.818 63.456 62.300 -1.104 0.000 1.038 292 V CB -0.692 30.400 31.823 -1.219 0.000 0.651 292 V HN 0.568 nan 8.190 nan 0.000 0.450 293 C N 0.121 118.730 119.300 -1.152 0.000 2.476 293 C HA -0.075 4.386 4.460 0.001 0.000 0.278 293 C C 2.808 177.499 174.990 -0.499 0.000 1.274 293 C CA 0.820 59.272 59.018 -0.944 0.000 1.713 293 C CB -0.941 26.098 27.740 -1.170 0.000 2.039 293 C HN 0.591 nan 8.230 nan 0.000 0.484 294 E N 0.479 120.403 120.200 -0.460 0.000 2.153 294 E HA -0.199 4.152 4.350 0.001 0.000 0.194 294 E C 2.046 178.496 176.600 -0.249 0.000 0.988 294 E CA 1.064 57.291 56.400 -0.288 0.000 0.811 294 E CB -0.518 29.013 29.700 -0.282 0.000 0.746 294 E HN 0.768 nan 8.360 nan 0.000 0.466 295 E N 0.473 120.482 120.200 -0.319 0.000 2.076 295 E HA -0.120 4.231 4.350 0.001 0.000 0.190 295 E C 2.195 178.504 176.600 -0.484 0.000 0.979 295 E CA 0.227 56.398 56.400 -0.382 0.000 0.807 295 E CB 0.071 29.592 29.700 -0.299 0.000 0.761 295 E HN 0.082 nan 8.360 nan 0.000 0.454 296 L N 0.757 121.802 121.223 -0.296 0.000 2.093 296 L HA -0.159 4.182 4.340 0.001 0.000 0.208 296 L C 2.112 179.009 176.870 0.046 0.000 1.085 296 L CA 0.992 55.794 54.840 -0.065 0.000 0.755 296 L CB -0.223 41.827 42.059 -0.015 0.000 0.904 296 L HN 0.170 nan 8.230 nan 0.000 0.435 297 L N -1.510 119.714 121.223 0.003 0.000 2.046 297 L HA -0.210 4.130 4.340 0.001 0.000 0.208 297 L C 2.186 179.125 176.870 0.115 0.000 1.077 297 L CA 1.691 56.578 54.840 0.078 0.000 0.747 297 L CB -1.693 40.402 42.059 0.060 0.000 0.896 297 L HN 0.545 nan 8.230 nan 0.000 0.432 298 W N -0.201 121.009 121.300 -0.149 0.000 2.335 298 W HA -0.273 4.388 4.660 0.001 0.000 0.311 298 W C 2.422 178.894 176.519 -0.078 0.000 1.213 298 W CA 1.429 58.681 57.345 -0.155 0.000 1.274 298 W CB -0.381 28.909 29.460 -0.284 0.000 1.148 298 W HN 0.061 nan 8.180 nan 0.000 0.498 299 F N 0.368 120.276 119.950 -0.069 0.000 2.043 299 F HA -0.257 4.271 4.527 0.001 0.000 0.297 299 F C 2.466 178.074 175.800 -0.319 0.000 1.121 299 F CA 1.591 59.326 58.000 -0.440 0.000 1.199 299 F CB -1.662 36.978 39.000 -0.599 0.000 0.968 299 F HN -0.160 nan 8.300 nan 0.000 0.478 300 L N -0.562 120.771 121.223 0.184 0.000 2.129 300 L HA -0.252 4.089 4.340 0.001 0.000 0.212 300 L C 2.520 179.444 176.870 0.090 0.000 1.087 300 L CA 1.318 56.285 54.840 0.212 0.000 0.757 300 L CB -0.489 41.697 42.059 0.213 0.000 0.896 300 L HN 0.124 nan 8.230 nan 0.000 0.434 301 R N -0.395 120.125 120.500 0.034 0.000 2.280 301 R HA -0.038 4.302 4.340 0.001 0.000 0.207 301 R C 1.293 177.575 176.300 -0.031 0.000 1.043 301 R CA 0.646 56.751 56.100 0.009 0.000 1.006 301 R CB -0.087 30.221 30.300 0.014 0.000 0.885 301 R HN 0.519 nan 8.270 nan 0.000 0.467 302 G N 1.234 109.973 108.800 -0.102 0.000 2.137 302 G HA2 -0.289 3.672 3.960 0.001 0.000 0.237 302 G HA3 -0.289 3.672 3.960 0.001 0.000 0.237 302 G C -0.285 174.533 174.900 -0.136 0.000 1.002 302 G CA 0.059 45.108 45.100 -0.085 0.000 0.702 302 G HN 0.325 nan 8.290 nan 0.000 0.515 303 E N 0.025 119.972 120.200 -0.422 0.000 2.383 303 E HA 0.558 4.909 4.350 0.001 0.000 0.264 303 E C 1.601 177.738 176.600 -0.772 0.000 1.050 303 E CA 0.802 56.860 56.400 -0.571 0.000 0.896 303 E CB 0.701 29.831 29.700 -0.951 0.000 0.982 303 E HN 0.487 nan 8.360 nan 0.000 0.424 304 T N 0.360 114.755 114.554 -0.264 0.000 3.016 304 T HA 0.076 4.427 4.350 0.001 0.000 0.271 304 T C -0.161 174.669 174.700 0.217 0.000 0.968 304 T CA -0.341 61.672 62.100 -0.145 0.000 0.891 304 T CB -0.171 68.628 68.868 -0.115 0.000 1.149 304 T HN 0.330 nan 8.240 nan 0.000 0.524 305 Y N 2.845 123.238 120.300 0.155 0.000 2.504 305 Y HA 0.688 5.238 4.550 0.001 0.000 0.351 305 Y C 1.281 177.318 175.900 0.230 0.000 0.988 305 Y CA -1.841 56.297 58.100 0.063 0.000 1.239 305 Y CB 0.630 39.030 38.460 -0.100 0.000 1.128 305 Y HN 0.252 nan 8.280 nan 0.000 0.525 306 A N 5.053 127.811 122.820 -0.103 0.000 2.167 306 A HA -0.054 4.267 4.320 0.001 0.000 0.214 306 A C 2.160 179.457 177.584 -0.478 0.000 1.151 306 A CA 0.875 52.709 52.037 -0.338 0.000 0.735 306 A CB -0.339 18.520 19.000 -0.235 0.000 0.802 306 A HN 0.796 nan 8.150 nan 0.000 0.467 307 K N 0.496 120.445 120.400 -0.751 0.000 2.148 307 K HA -0.087 4.233 4.320 0.001 0.000 0.204 307 K C 1.665 178.027 176.600 -0.397 0.000 1.050 307 K CA 1.292 57.207 56.287 -0.620 0.000 0.942 307 K CB -0.118 31.890 32.500 -0.818 0.000 0.724 307 K HN 0.420 nan 8.250 nan 0.000 0.446 308 K N 0.089 120.298 120.400 -0.319 0.000 2.281 308 K HA -0.161 4.160 4.320 0.001 0.000 0.203 308 K C 1.652 178.123 176.600 -0.214 0.000 1.046 308 K CA 0.800 57.024 56.287 -0.105 0.000 0.938 308 K CB 0.014 32.604 32.500 0.150 0.000 0.737 308 K HN 0.094 nan 8.250 nan 0.000 0.458 309 L N 0.344 121.319 121.223 -0.412 0.000 2.145 309 L HA -0.064 4.276 4.340 0.001 0.000 0.201 309 L C 2.425 179.078 176.870 -0.362 0.000 1.075 309 L CA 1.579 56.147 54.840 -0.454 0.000 0.773 309 L CB -0.811 40.844 42.059 -0.674 0.000 0.936 309 L HN 0.110 nan 8.230 nan 0.000 0.451 310 S N -1.293 114.196 115.700 -0.352 0.000 2.399 310 S HA -0.172 4.299 4.470 0.001 0.000 0.231 310 S C 1.605 176.040 174.600 -0.274 0.000 1.022 310 S CA 1.134 59.098 58.200 -0.394 0.000 0.983 310 S CB -0.571 62.539 63.200 -0.150 0.000 0.803 310 S HN 0.365 nan 8.310 nan 0.000 0.480 311 D N 1.951 122.245 120.400 -0.176 0.000 2.221 311 D HA -0.024 4.617 4.640 0.001 0.000 0.204 311 D C 1.416 177.662 176.300 -0.090 0.000 0.982 311 D CA 1.041 54.984 54.000 -0.095 0.000 0.857 311 D CB -0.164 40.596 40.800 -0.066 0.000 0.934 311 D HN 0.548 nan 8.370 nan 0.000 0.475 312 K N -0.656 119.660 120.400 -0.139 0.000 2.410 312 K HA 0.245 4.566 4.320 0.001 0.000 0.200 312 K C 0.881 177.414 176.600 -0.112 0.000 1.023 312 K CA 0.262 56.486 56.287 -0.105 0.000 1.149 312 K CB 0.886 33.320 32.500 -0.111 0.000 0.859 312 K HN 0.073 nan 8.250 nan 0.000 0.514 313 G N 1.081 109.764 108.800 -0.195 0.000 2.143 313 G HA2 -0.224 3.737 3.960 0.001 0.000 0.248 313 G HA3 -0.224 3.737 3.960 0.001 0.000 0.248 313 G C -0.048 174.708 174.900 -0.240 0.000 0.991 313 G CA -0.033 44.960 45.100 -0.179 0.000 0.689 313 G HN 0.146 nan 8.290 nan 0.000 0.522 314 V N 0.682 120.383 119.914 -0.355 0.000 2.311 314 V HA 0.467 4.587 4.120 0.001 0.000 0.275 314 V C 0.561 176.460 176.094 -0.326 0.000 1.022 314 V CA -0.513 61.700 62.300 -0.145 0.000 0.830 314 V CB 1.008 32.757 31.823 -0.122 0.000 1.012 314 V HN 0.425 nan 8.190 nan 0.000 0.452 315 H N 4.093 123.188 119.070 0.042 0.000 2.487 315 H HA 0.250 4.806 4.556 0.001 0.000 0.290 315 H C 1.783 177.084 175.328 -0.045 0.000 1.081 315 H CA -0.062 55.974 56.048 -0.020 0.000 1.116 315 H CB 0.232 29.973 29.762 -0.034 0.000 1.560 315 H HN 0.774 nan 8.280 nan 0.000 0.548 316 I N -2.803 117.773 120.570 0.009 0.000 2.493 316 I HA -0.130 4.040 4.170 0.001 0.000 0.254 316 I C 0.939 176.880 176.117 -0.293 0.000 1.160 316 I CA 1.295 62.501 61.300 -0.157 0.000 1.445 316 I CB -0.071 37.772 38.000 -0.261 0.000 1.086 316 I HN 0.145 nan 8.210 nan 0.000 0.433 317 W N 1.741 122.936 121.300 -0.175 0.000 3.316 317 W HA 0.154 4.814 4.660 0.001 0.000 0.327 317 W C 1.554 177.992 176.519 -0.135 0.000 1.232 317 W CA -0.252 56.992 57.345 -0.168 0.000 1.805 317 W CB -0.073 29.243 29.460 -0.241 0.000 1.090 317 W HN 0.109 nan 8.180 nan 0.000 0.654 318 D N 0.537 120.972 120.400 0.058 0.000 2.078 318 D HA -0.210 4.431 4.640 0.001 0.000 0.193 318 D C 1.728 178.027 176.300 -0.001 0.000 0.990 318 D CA 1.761 55.787 54.000 0.044 0.000 0.827 318 D CB -0.277 40.559 40.800 0.059 0.000 0.975 318 D HN -0.012 nan 8.370 nan 0.000 0.451 319 D N 0.444 120.801 120.400 -0.072 0.000 2.103 319 D HA -0.138 4.503 4.640 0.001 0.000 0.190 319 D C 1.423 177.578 176.300 -0.242 0.000 0.997 319 D CA 0.837 54.759 54.000 -0.131 0.000 0.833 319 D CB -0.519 40.168 40.800 -0.188 0.000 0.961 319 D HN 0.314 nan 8.370 nan 0.000 0.447 320 N N 0.186 118.662 118.700 -0.373 0.000 2.609 320 N HA -0.054 4.686 4.740 0.001 0.000 0.190 320 N C 1.437 176.955 175.510 0.014 0.000 1.157 320 N CA 0.601 53.288 53.050 -0.605 0.000 0.918 320 N CB 0.256 38.560 38.487 -0.304 0.000 0.978 320 N HN 0.181 nan 8.380 nan 0.000 0.448 321 G N 0.224 109.092 108.800 0.112 0.000 3.228 321 G HA2 0.001 3.962 3.960 0.001 0.000 0.245 321 G HA3 0.001 3.962 3.960 0.001 0.000 0.245 321 G C 0.396 175.409 174.900 0.188 0.000 1.051 321 G CA -0.218 44.999 45.100 0.195 0.000 0.809 321 G HN 0.245 nan 8.290 nan 0.000 0.531 322 S N -0.068 115.740 115.700 0.181 0.000 2.592 322 S HA 0.324 4.795 4.470 0.001 0.000 0.271 322 S C 1.389 176.106 174.600 0.196 0.000 1.326 322 S CA -0.389 57.909 58.200 0.162 0.000 1.024 322 S CB 2.285 65.563 63.200 0.130 0.000 0.921 322 S HN 0.142 nan 8.310 nan 0.000 0.527 323 R N 2.029 122.616 120.500 0.145 0.000 2.113 323 R HA -0.177 4.164 4.340 0.001 0.000 0.244 323 R C 2.292 178.665 176.300 0.120 0.000 1.142 323 R CA 2.303 58.480 56.100 0.128 0.000 0.953 323 R CB -1.447 28.910 30.300 0.094 0.000 0.860 323 R HN 0.882 nan 8.270 nan 0.000 0.438 324 A N -0.573 122.320 122.820 0.122 0.000 1.865 324 A HA -0.167 4.154 4.320 0.001 0.000 0.217 324 A C 2.238 179.900 177.584 0.130 0.000 1.191 324 A CA 1.584 53.686 52.037 0.108 0.000 0.623 324 A CB -0.944 18.120 19.000 0.106 0.000 0.826 324 A HN 0.504 nan 8.150 nan 0.000 0.444 325 F N 0.440 120.425 119.950 0.058 0.000 2.146 325 F HA -0.079 4.449 4.527 0.001 0.000 0.298 325 F C 1.936 177.781 175.800 0.076 0.000 1.096 325 F CA 1.580 59.620 58.000 0.066 0.000 1.275 325 F CB -0.234 38.814 39.000 0.081 0.000 1.008 325 F HN 0.132 nan 8.300 nan 0.000 0.480 326 L N -0.033 121.306 121.223 0.194 0.000 2.042 326 L HA -0.256 4.085 4.340 0.001 0.000 0.210 326 L C 2.128 178.974 176.870 -0.041 0.000 1.076 326 L CA 1.516 56.422 54.840 0.110 0.000 0.749 326 L CB -0.898 41.297 42.059 0.226 0.000 0.893 326 L HN 0.079 nan 8.230 nan 0.000 0.432 327 D N -0.413 119.975 120.400 -0.021 0.000 2.178 327 D HA -0.163 4.478 4.640 0.001 0.000 0.201 327 D C 2.374 178.608 176.300 -0.110 0.000 0.980 327 D CA 1.693 55.661 54.000 -0.053 0.000 0.842 327 D CB -0.101 40.690 40.800 -0.014 0.000 0.948 327 D HN 0.371 nan 8.370 nan 0.000 0.472 328 S N 0.046 115.641 115.700 -0.175 0.000 2.481 328 S HA -0.056 4.415 4.470 0.001 0.000 0.231 328 S C 1.497 175.926 174.600 -0.284 0.000 0.996 328 S CA 0.367 58.430 58.200 -0.228 0.000 0.942 328 S CB 0.103 63.142 63.200 -0.269 0.000 0.768 328 S HN 0.063 nan 8.310 nan 0.000 0.520 329 R N 0.533 120.841 120.500 -0.321 0.000 2.468 329 R HA 0.337 4.678 4.340 0.001 0.000 0.280 329 R C 1.411 177.615 176.300 -0.159 0.000 0.963 329 R CA 0.438 56.391 56.100 -0.246 0.000 1.083 329 R CB -0.500 29.640 30.300 -0.267 0.000 1.200 329 R HN 0.569 nan 8.270 nan 0.000 0.541 330 G N 1.549 110.262 108.800 -0.145 0.000 2.143 330 G HA2 -0.258 3.703 3.960 0.001 0.000 0.248 330 G HA3 -0.258 3.703 3.960 0.001 0.000 0.248 330 G C 0.247 175.047 174.900 -0.166 0.000 0.991 330 G CA 0.009 45.033 45.100 -0.127 0.000 0.689 330 G HN 0.324 nan 8.290 nan 0.000 0.522 331 L N 1.874 122.985 121.223 -0.186 0.000 2.990 331 L HA 0.248 4.589 4.340 0.001 0.000 0.231 331 L C 2.244 178.980 176.870 -0.224 0.000 1.341 331 L CA 0.377 55.020 54.840 -0.329 0.000 1.208 331 L CB -0.095 41.787 42.059 -0.295 0.000 1.571 331 L HN 0.383 nan 8.230 nan 0.000 0.453 332 T N -4.421 110.043 114.554 -0.150 0.000 3.007 332 T HA -0.096 4.254 4.350 0.001 0.000 0.270 332 T C 1.416 176.102 174.700 -0.023 0.000 1.107 332 T CA 0.742 62.806 62.100 -0.060 0.000 1.118 332 T CB 0.045 68.885 68.868 -0.048 0.000 0.889 332 T HN 0.281 nan 8.240 nan 0.000 0.506 333 E N 0.279 120.432 120.200 -0.077 0.000 2.299 333 E HA 0.099 4.449 4.350 0.001 0.000 0.193 333 E C -0.225 176.549 176.600 0.291 0.000 0.998 333 E CA 0.206 56.643 56.400 0.062 0.000 0.851 333 E CB -0.174 29.543 29.700 0.028 0.000 0.795 333 E HN 0.594 nan 8.360 nan 0.000 0.492 334 Y N 1.843 122.261 120.300 0.196 0.000 2.346 334 Y HA 0.106 4.656 4.550 0.001 0.000 0.330 334 Y C 1.156 177.168 175.900 0.186 0.000 1.178 334 Y CA -1.307 56.943 58.100 0.251 0.000 1.331 334 Y CB 0.074 38.660 38.460 0.211 0.000 1.253 334 Y HN -0.070 nan 8.280 nan 0.000 0.529 335 E N 2.486 122.900 120.200 0.357 0.000 2.383 335 E HA 0.030 4.380 4.350 0.001 0.000 0.264 335 E C -0.451 176.302 176.600 0.256 0.000 1.050 335 E CA -0.572 55.967 56.400 0.232 0.000 0.896 335 E CB 0.582 30.387 29.700 0.175 0.000 0.982 335 E HN 0.729 nan 8.360 nan 0.000 0.424 336 E N 3.863 124.186 120.200 0.205 0.000 2.652 336 E HA -0.174 4.177 4.350 0.001 0.000 0.255 336 E C 0.037 176.757 176.600 0.199 0.000 0.952 336 E CA 0.444 56.956 56.400 0.187 0.000 0.947 336 E CB 0.192 29.974 29.700 0.138 0.000 0.912 336 E HN 0.636 nan 8.360 nan 0.000 0.489 337 M N 1.385 121.083 119.600 0.162 0.000 3.019 337 M HA -0.210 4.270 4.480 0.001 0.000 0.214 337 M C -0.444 175.944 176.300 0.146 0.000 0.577 337 M CA 0.753 56.097 55.300 0.074 0.000 0.816 337 M CB -2.077 30.437 32.600 -0.143 0.000 2.911 337 M HN 0.612 nan 8.290 nan 0.000 0.302 338 D N 1.839 122.375 120.400 0.226 0.000 2.365 338 D HA 0.450 5.090 4.640 0.001 0.000 0.237 338 D C 0.946 177.239 176.300 -0.011 0.000 1.190 338 D CA -0.034 54.056 54.000 0.150 0.000 0.867 338 D CB 0.401 41.318 40.800 0.194 0.000 1.050 338 D HN 0.453 nan 8.370 nan 0.000 0.491 339 L N 3.102 124.290 121.223 -0.058 0.000 2.558 339 L HA 0.246 4.587 4.340 0.001 0.000 0.225 339 L C 1.528 178.217 176.870 -0.302 0.000 1.128 339 L CA 0.279 55.075 54.840 -0.072 0.000 0.868 339 L CB -0.679 41.343 42.059 -0.060 0.000 1.006 339 L HN 0.657 nan 8.230 nan 0.000 0.454 340 G N 0.999 109.336 108.800 -0.771 0.000 2.725 340 G HA2 -0.201 3.759 3.960 0.001 0.000 0.220 340 G HA3 -0.201 3.759 3.960 0.001 0.000 0.220 340 G C -2.458 171.656 174.900 -1.311 0.000 1.357 340 G CA -0.506 43.825 45.100 -1.282 0.000 0.866 340 G HN 0.042 nan 8.290 nan 0.000 0.548 341 P HA 0.291 nan 4.420 nan 0.000 0.238 341 P C 0.866 177.879 177.300 -0.477 0.000 1.714 341 P CA 0.616 63.026 63.100 -1.150 0.000 0.908 341 P CB -0.623 30.516 31.700 -0.935 0.000 1.893 342 V N -2.526 117.151 119.914 -0.395 0.000 3.214 342 V HA 0.139 4.260 4.120 0.001 0.000 0.306 342 V C 1.313 177.295 176.094 -0.187 0.000 1.078 342 V CA -0.506 61.640 62.300 -0.257 0.000 1.077 342 V CB -0.557 31.177 31.823 -0.147 0.000 1.121 342 V HN 0.166 nan 8.190 nan 0.000 0.468 343 Y N 2.443 122.627 120.300 -0.193 0.000 1.384 343 Y HA -0.419 4.132 4.550 0.001 0.000 0.095 343 Y C 2.527 177.973 175.900 -0.756 0.000 0.643 343 Y CA 3.071 60.884 58.100 -0.479 0.000 0.404 343 Y CB -2.074 35.862 38.460 -0.874 0.000 0.530 343 Y HN 0.838 nan 8.280 nan 0.000 0.792 344 G N -1.356 106.969 108.800 -0.790 0.000 2.503 344 G HA2 -0.335 3.625 3.960 0.001 0.000 0.221 344 G HA3 -0.335 3.625 3.960 0.001 0.000 0.221 344 G C 1.473 176.245 174.900 -0.213 0.000 1.131 344 G CA 1.193 45.870 45.100 -0.705 0.000 0.756 344 G HN 0.496 nan 8.290 nan 0.000 0.572 345 F N 1.083 120.881 119.950 -0.252 0.000 2.126 345 F HA -0.122 4.405 4.527 0.001 0.000 0.299 345 F C 2.888 178.700 175.800 0.020 0.000 1.096 345 F CA 1.926 59.873 58.000 -0.088 0.000 1.255 345 F CB 0.132 39.012 39.000 -0.199 0.000 0.997 345 F HN 0.108 nan 8.300 nan 0.000 0.479 346 Q N -0.947 118.968 119.800 0.191 0.000 2.230 346 Q HA -0.163 4.178 4.340 0.001 0.000 0.202 346 Q C 1.997 178.266 176.000 0.448 0.000 0.963 346 Q CA 1.066 57.042 55.803 0.288 0.000 0.866 346 Q CB -0.753 28.180 28.738 0.326 0.000 0.931 346 Q HN 0.534 nan 8.270 nan 0.000 0.452 347 W N 1.097 122.459 121.300 0.103 0.000 2.402 347 W HA -0.056 4.605 4.660 0.002 0.000 0.286 347 W C 1.765 178.211 176.519 -0.121 0.000 1.221 347 W CA 0.610 57.968 57.345 0.022 0.000 1.257 347 W CB -0.103 29.300 29.460 -0.094 0.000 1.120 347 W HN 0.128 nan 8.180 nan 0.000 0.551 348 R N -1.706 118.773 120.500 -0.035 0.000 2.394 348 R HA 0.112 4.452 4.340 0.001 0.000 0.220 348 R C 0.127 175.939 176.300 -0.813 0.000 0.887 348 R CA 0.555 56.406 56.100 -0.416 0.000 1.034 348 R CB -0.200 29.776 30.300 -0.540 0.000 1.179 348 R HN 0.269 nan 8.270 nan 0.000 0.561 349 H N -0.814 118.111 119.070 -0.242 0.000 3.064 349 H HA 0.126 4.682 4.556 0.001 0.000 0.232 349 H C -0.704 174.501 175.328 -0.205 0.000 1.308 349 H CA -0.895 54.925 56.048 -0.381 0.000 1.010 349 H CB -0.390 28.766 29.762 -1.011 0.000 2.408 349 H HN -0.065 nan 8.280 nan 0.000 0.599 350 F N 2.429 122.360 119.950 -0.032 0.000 2.580 350 F HA 0.203 4.730 4.527 0.002 0.000 0.398 350 F C 1.492 177.339 175.800 0.079 0.000 1.023 350 F CA 2.026 60.063 58.000 0.062 0.000 1.188 350 F CB 0.394 39.447 39.000 0.089 0.000 1.005 350 F HN 0.586 nan 8.300 nan 0.000 0.546 351 G N 3.742 112.246 108.800 -0.495 0.000 2.162 351 G HA2 -0.158 3.802 3.960 0.001 0.000 0.260 351 G HA3 -0.158 3.802 3.960 0.001 0.000 0.260 351 G C 0.245 175.139 174.900 -0.010 0.000 0.976 351 G CA 0.007 44.924 45.100 -0.304 0.000 0.655 351 G HN 1.377 nan 8.290 nan 0.000 0.533 352 A N 0.063 122.933 122.820 0.084 0.000 2.462 352 A HA 0.769 5.090 4.320 0.001 0.000 0.243 352 A C 1.035 178.760 177.584 0.235 0.000 1.076 352 A CA 0.889 53.029 52.037 0.170 0.000 0.773 352 A CB 0.457 19.544 19.000 0.146 0.000 1.010 352 A HN 2.101 nan 8.150 nan 0.000 0.493 353 A N 1.686 124.618 122.820 0.187 0.000 2.491 353 A HA 0.442 4.763 4.320 0.001 0.000 0.261 353 A C -0.309 177.409 177.584 0.223 0.000 1.101 353 A CA 0.051 52.179 52.037 0.152 0.000 0.772 353 A CB -0.349 18.710 19.000 0.097 0.000 1.043 353 A HN 0.845 nan 8.150 nan 0.000 0.501 354 Y N 2.475 122.750 120.300 -0.041 0.000 2.320 354 Y HA 0.404 4.954 4.550 0.001 0.000 0.324 354 Y C 1.468 177.332 175.900 -0.061 0.000 1.190 354 Y CA 0.941 58.943 58.100 -0.163 0.000 1.215 354 Y CB 1.554 39.732 38.460 -0.471 0.000 1.221 354 Y HN 0.849 nan 8.280 nan 0.000 0.486 355 T N 0.278 114.551 114.554 -0.470 0.000 3.400 355 T HA 0.334 4.684 4.350 0.001 0.000 0.228 355 T C -0.291 173.892 174.700 -0.860 0.000 0.992 355 T CA -0.049 61.780 62.100 -0.453 0.000 1.222 355 T CB 0.218 68.917 68.868 -0.281 0.000 1.236 355 T HN 0.552 nan 8.240 nan 0.000 0.357 356 H N 0.143 118.923 119.070 -0.484 0.000 2.977 356 H HA 0.384 4.941 4.556 0.001 0.000 0.350 356 H C 0.919 175.998 175.328 -0.415 0.000 1.238 356 H CA 0.020 55.849 56.048 -0.367 0.000 1.124 356 H CB 1.424 31.074 29.762 -0.186 0.000 1.866 356 H HN 0.627 nan 8.280 nan 0.000 0.550 357 H N -0.226 118.826 119.070 -0.031 0.000 2.422 357 H HA -0.113 4.444 4.556 0.001 0.000 0.298 357 H C 0.351 175.656 175.328 -0.038 0.000 1.098 357 H CA 2.084 58.139 56.048 0.013 0.000 1.315 357 H CB 0.090 29.846 29.762 -0.011 0.000 1.382 357 H HN 0.436 nan 8.280 nan 0.000 0.523 358 D N 1.767 121.667 120.400 -0.833 0.000 2.104 358 D HA -0.050 4.591 4.640 0.001 0.000 0.194 358 D C 1.310 177.413 176.300 -0.328 0.000 0.994 358 D CA 1.440 55.098 54.000 -0.569 0.000 0.830 358 D CB -0.604 39.877 40.800 -0.531 0.000 0.959 358 D HN 0.695 nan 8.370 nan 0.000 0.452 359 A N 0.558 123.161 122.820 -0.361 0.000 2.583 359 A HA -0.085 4.236 4.320 0.001 0.000 0.231 359 A C 0.505 177.689 177.584 -0.665 0.000 1.065 359 A CA 0.076 51.793 52.037 -0.534 0.000 0.760 359 A CB -0.118 18.448 19.000 -0.723 0.000 1.001 359 A HN 0.288 nan 8.150 nan 0.000 0.509 360 N N 1.023 119.348 118.700 -0.625 0.000 2.437 360 N HA 0.267 5.007 4.740 0.001 0.000 0.243 360 N C -0.947 174.196 175.510 -0.612 0.000 1.041 360 N CA -0.173 52.589 53.050 -0.480 0.000 0.940 360 N CB 0.235 38.545 38.487 -0.296 0.000 1.133 360 N HN 0.610 nan 8.380 nan 0.000 0.506 361 Y N 1.020 121.147 120.300 -0.288 0.000 2.571 361 Y HA 0.182 4.733 4.550 0.001 0.000 0.275 361 Y C 0.062 175.689 175.900 -0.456 0.000 1.179 361 Y CA -0.636 57.208 58.100 -0.428 0.000 1.242 361 Y CB 0.015 38.064 38.460 -0.684 0.000 1.126 361 Y HN 0.421 nan 8.280 nan 0.000 0.524 362 D N 1.054 121.250 120.400 -0.339 0.000 2.520 362 D HA 0.081 4.722 4.640 0.001 0.000 0.243 362 D C 1.332 177.229 176.300 -0.672 0.000 1.160 362 D CA 1.638 55.233 54.000 -0.676 0.000 0.877 362 D CB 0.705 40.984 40.800 -0.868 0.000 1.150 362 D HN 0.618 nan 8.370 nan 0.000 0.494 363 G N 2.776 111.211 108.800 -0.610 0.000 2.203 363 G HA2 -0.282 3.679 3.960 0.001 0.000 0.263 363 G HA3 -0.282 3.679 3.960 0.001 0.000 0.263 363 G C 0.168 175.074 174.900 0.010 0.000 1.012 363 G CA 0.025 45.045 45.100 -0.133 0.000 0.749 363 G HN 0.535 nan 8.290 nan 0.000 0.512 364 Q N -0.344 119.488 119.800 0.053 0.000 2.282 364 Q HA 0.577 4.917 4.340 0.001 0.000 0.260 364 Q C 0.765 176.856 176.000 0.151 0.000 0.964 364 Q CA 0.170 56.026 55.803 0.089 0.000 0.880 364 Q CB 1.899 30.677 28.738 0.066 0.000 1.286 364 Q HN 1.543 nan 8.270 nan 0.000 0.445 365 G N 0.566 109.434 108.800 0.114 0.000 2.693 365 G HA2 -0.232 3.729 3.960 0.001 0.000 0.226 365 G HA3 -0.232 3.729 3.960 0.001 0.000 0.226 365 G C -0.708 174.265 174.900 0.122 0.000 1.354 365 G CA -0.594 44.578 45.100 0.121 0.000 0.873 365 G HN 0.460 nan 8.290 nan 0.000 0.562 366 V N 0.916 120.928 119.914 0.164 0.000 2.383 366 V HA 0.429 4.550 4.120 0.001 0.000 0.275 366 V C 0.191 176.319 176.094 0.057 0.000 1.036 366 V CA 0.036 62.408 62.300 0.121 0.000 0.889 366 V CB 1.642 33.545 31.823 0.134 0.000 0.985 366 V HN 0.742 nan 8.190 nan 0.000 0.459 367 D N 3.965 124.367 120.400 0.003 0.000 2.517 367 D HA 0.156 4.797 4.640 0.001 0.000 0.220 367 D C 1.164 177.451 176.300 -0.021 0.000 1.158 367 D CA 0.141 54.106 54.000 -0.059 0.000 0.992 367 D CB 0.899 41.663 40.800 -0.060 0.000 1.058 367 D HN 0.605 nan 8.370 nan 0.000 0.516 368 Q N 2.220 122.022 119.800 0.003 0.000 2.084 368 Q HA -0.126 4.214 4.340 0.001 0.000 0.202 368 Q C 1.781 177.756 176.000 -0.041 0.000 0.978 368 Q CA 0.831 56.645 55.803 0.018 0.000 0.844 368 Q CB 0.376 29.171 28.738 0.095 0.000 0.898 368 Q HN 0.562 nan 8.270 nan 0.000 0.426 369 I N 1.103 121.596 120.570 -0.129 0.000 2.179 369 I HA -0.265 3.905 4.170 0.001 0.000 0.242 369 I C 2.291 178.340 176.117 -0.113 0.000 1.088 369 I CA 1.495 62.675 61.300 -0.200 0.000 1.357 369 I CB -0.899 36.967 38.000 -0.224 0.000 1.051 369 I HN 0.222 nan 8.210 nan 0.000 0.409 370 K N 0.978 121.338 120.400 -0.066 0.000 2.063 370 K HA -0.164 4.157 4.320 0.001 0.000 0.208 370 K C 2.226 178.806 176.600 -0.034 0.000 1.048 370 K CA 1.590 57.855 56.287 -0.036 0.000 0.928 370 K CB -0.034 32.461 32.500 -0.008 0.000 0.713 370 K HN 0.265 nan 8.250 nan 0.000 0.442 371 A N 1.136 123.941 122.820 -0.024 0.000 1.883 371 A HA -0.169 4.152 4.320 0.001 0.000 0.217 371 A C 2.079 179.649 177.584 -0.022 0.000 1.186 371 A CA 1.616 53.646 52.037 -0.012 0.000 0.624 371 A CB -0.590 18.412 19.000 0.003 0.000 0.822 371 A HN 0.331 nan 8.150 nan 0.000 0.444 372 I N -0.615 119.936 120.570 -0.032 0.000 2.142 372 I HA -0.215 3.956 4.170 0.001 0.000 0.240 372 I C 2.389 178.437 176.117 -0.114 0.000 1.078 372 I CA 1.161 62.430 61.300 -0.051 0.000 1.343 372 I CB -0.430 37.548 38.000 -0.035 0.000 1.046 372 I HN 0.155 nan 8.210 nan 0.000 0.405 373 V N 0.746 120.577 119.914 -0.138 0.000 2.278 373 V HA -0.339 3.782 4.120 0.001 0.000 0.251 373 V C 2.571 178.615 176.094 -0.083 0.000 1.062 373 V CA 2.326 64.548 62.300 -0.130 0.000 1.038 373 V CB -0.655 31.107 31.823 -0.101 0.000 0.646 373 V HN 0.432 nan 8.190 nan 0.000 0.447 374 E N 0.187 120.354 120.200 -0.055 0.000 2.072 374 E HA -0.157 4.194 4.350 0.001 0.000 0.191 374 E C 2.246 178.824 176.600 -0.036 0.000 0.985 374 E CA 1.970 58.347 56.400 -0.037 0.000 0.801 374 E CB -0.585 29.101 29.700 -0.023 0.000 0.750 374 E HN 0.657 nan 8.360 nan 0.000 0.452 375 T N 1.023 115.556 114.554 -0.035 0.000 2.674 375 T HA -0.121 4.230 4.350 0.001 0.000 0.265 375 T C 1.959 176.636 174.700 -0.038 0.000 1.039 375 T CA 1.364 63.447 62.100 -0.028 0.000 1.150 375 T CB -0.440 68.420 68.868 -0.014 0.000 0.864 375 T HN 0.122 nan 8.240 nan 0.000 0.427 376 L N 0.585 121.774 121.223 -0.057 0.000 2.089 376 L HA -0.213 4.128 4.340 0.001 0.000 0.213 376 L C 2.619 179.455 176.870 -0.058 0.000 1.079 376 L CA 1.521 56.321 54.840 -0.067 0.000 0.758 376 L CB -0.485 41.506 42.059 -0.113 0.000 0.891 376 L HN 0.259 nan 8.230 nan 0.000 0.433 377 K N -1.143 119.224 120.400 -0.055 0.000 2.217 377 K HA -0.089 4.231 4.320 0.001 0.000 0.202 377 K C 2.003 178.581 176.600 -0.036 0.000 1.051 377 K CA 1.694 57.954 56.287 -0.045 0.000 0.952 377 K CB 0.005 32.480 32.500 -0.043 0.000 0.736 377 K HN 0.540 nan 8.250 nan 0.000 0.453 378 T N -2.059 112.475 114.554 -0.032 0.000 3.056 378 T HA 0.076 4.427 4.350 0.001 0.000 0.241 378 T C 0.614 175.298 174.700 -0.026 0.000 1.006 378 T CA -0.244 61.840 62.100 -0.026 0.000 1.115 378 T CB 0.146 69.001 68.868 -0.021 0.000 0.939 378 T HN -0.083 nan 8.240 nan 0.000 0.462 379 N N 2.470 121.154 118.700 -0.027 0.000 2.746 379 N HA 0.301 5.042 4.740 0.001 0.000 0.250 379 N C -2.661 172.827 175.510 -0.036 0.000 1.146 379 N CA -1.239 51.794 53.050 -0.028 0.000 0.828 379 N CB 1.927 40.402 38.487 -0.021 0.000 1.158 379 N HN 0.203 nan 8.380 nan 0.000 0.519 380 P HA -0.051 nan 4.420 nan 0.000 0.225 380 P C 0.568 177.813 177.300 -0.091 0.000 1.148 380 P CA 1.002 64.062 63.100 -0.067 0.000 0.779 380 P CB 0.473 32.128 31.700 -0.074 0.000 0.780 381 D N -1.032 119.323 120.400 -0.076 0.000 2.347 381 D HA -0.032 4.608 4.640 0.001 0.000 0.213 381 D C 0.335 176.607 176.300 -0.047 0.000 0.985 381 D CA 0.419 54.371 54.000 -0.081 0.000 0.879 381 D CB -0.700 40.065 40.800 -0.057 0.000 0.919 381 D HN 0.211 nan 8.370 nan 0.000 0.526 382 D N 0.029 120.413 120.400 -0.026 0.000 2.506 382 D HA -0.045 4.595 4.640 0.001 0.000 0.234 382 D C 0.783 177.095 176.300 0.020 0.000 1.143 382 D CA 0.406 54.406 54.000 -0.001 0.000 0.871 382 D CB 0.618 41.422 40.800 0.006 0.000 1.190 382 D HN -0.074 nan 8.370 nan 0.000 0.459 383 R N 2.634 123.151 120.500 0.029 0.000 2.546 383 R HA 0.216 4.556 4.340 0.001 0.000 0.320 383 R C 0.622 176.947 176.300 0.042 0.000 1.021 383 R CA -0.063 56.065 56.100 0.048 0.000 1.088 383 R CB 0.571 30.897 30.300 0.042 0.000 1.278 383 R HN 0.332 nan 8.270 nan 0.000 0.557 384 R N 0.129 120.653 120.500 0.040 0.000 2.508 384 R HA 0.295 4.636 4.340 0.001 0.000 0.300 384 R C 0.215 176.548 176.300 0.054 0.000 0.970 384 R CA -0.126 55.993 56.100 0.032 0.000 1.102 384 R CB 0.546 30.857 30.300 0.018 0.000 1.246 384 R HN 0.013 nan 8.270 nan 0.000 0.539 385 M N 2.905 122.559 119.600 0.090 0.000 3.442 385 M HA 0.191 4.671 4.480 0.001 0.000 0.232 385 M C -0.747 175.684 176.300 0.218 0.000 1.508 385 M CA 0.463 55.855 55.300 0.153 0.000 1.647 385 M CB -0.409 32.298 32.600 0.179 0.000 1.126 385 M HN 0.062 nan 8.290 nan 0.000 0.557 386 L N -0.384 120.925 121.223 0.143 0.000 2.409 386 L HA 0.890 5.230 4.340 0.001 0.000 0.262 386 L C -0.890 176.047 176.870 0.112 0.000 0.992 386 L CA -1.214 53.678 54.840 0.086 0.000 0.817 386 L CB 1.489 43.514 42.059 -0.058 0.000 1.350 386 L HN 0.297 nan 8.230 nan 0.000 0.411 387 F N -0.968 118.975 119.950 -0.012 0.000 2.522 387 F HA 0.926 5.453 4.527 0.001 0.000 0.324 387 F C -0.165 175.610 175.800 -0.041 0.000 1.077 387 F CA -0.647 57.320 58.000 -0.055 0.000 0.944 387 F CB 1.940 40.875 39.000 -0.109 0.000 1.175 387 F HN 0.652 nan 8.300 nan 0.000 0.468 388 T N 0.655 115.291 114.554 0.136 0.000 2.916 388 T HA 0.697 5.048 4.350 0.001 0.000 0.292 388 T C -0.003 174.984 174.700 0.478 0.000 1.055 388 T CA -0.098 62.108 62.100 0.178 0.000 1.009 388 T CB 1.618 70.565 68.868 0.131 0.000 1.118 388 T HN 1.052 nan 8.240 nan 0.000 0.497 389 A N 2.373 125.498 122.820 0.507 0.000 2.469 389 A HA 0.279 4.599 4.320 0.001 0.000 0.245 389 A C 0.464 178.272 177.584 0.373 0.000 1.221 389 A CA -0.528 51.816 52.037 0.511 0.000 0.946 389 A CB 0.136 19.443 19.000 0.512 0.000 1.049 389 A HN 0.802 nan 8.150 nan 0.000 0.529 390 W N 2.491 123.924 121.300 0.222 0.000 2.430 390 W HA 0.311 4.972 4.660 0.001 0.000 0.380 390 W C -0.762 175.895 176.519 0.231 0.000 1.045 390 W CA -0.342 57.098 57.345 0.158 0.000 1.547 390 W CB 0.238 29.765 29.460 0.112 0.000 1.554 390 W HN 0.285 nan 8.180 nan 0.000 0.378 391 N N 6.902 125.550 118.700 -0.087 0.000 2.626 391 N HA 0.234 4.975 4.740 0.001 0.000 0.242 391 N C -1.909 173.420 175.510 -0.303 0.000 1.005 391 N CA -2.216 50.783 53.050 -0.086 0.000 0.905 391 N CB 1.552 39.847 38.487 -0.320 0.000 1.128 391 N HN 0.031 nan 8.380 nan 0.000 0.512 392 P HA -0.100 nan 4.420 nan 0.000 0.217 392 P C 0.888 178.090 177.300 -0.162 0.000 1.148 392 P CA 1.217 64.176 63.100 -0.234 0.000 0.828 392 P CB 0.423 32.098 31.700 -0.042 0.000 0.783 393 S N -0.794 114.834 115.700 -0.120 0.000 2.387 393 S HA -0.051 4.420 4.470 0.001 0.000 0.226 393 S C 1.983 176.497 174.600 -0.142 0.000 1.026 393 S CA 1.286 59.424 58.200 -0.103 0.000 0.972 393 S CB -0.724 62.432 63.200 -0.074 0.000 0.814 393 S HN 0.179 nan 8.310 nan 0.000 0.477 394 A N 0.753 123.451 122.820 -0.203 0.000 2.095 394 A HA 0.263 4.583 4.320 0.001 0.000 0.212 394 A C 1.841 179.290 177.584 -0.225 0.000 1.162 394 A CA 0.223 52.132 52.037 -0.213 0.000 0.753 394 A CB -0.387 18.460 19.000 -0.255 0.000 0.840 394 A HN 0.313 nan 8.150 nan 0.000 0.468 395 L N 0.390 121.448 121.223 -0.276 0.000 2.010 395 L HA -0.160 4.181 4.340 0.001 0.000 0.219 395 L C -0.656 176.104 176.870 -0.183 0.000 1.077 395 L CA 2.579 57.243 54.840 -0.293 0.000 0.773 395 L CB -1.467 40.347 42.059 -0.408 0.000 0.892 395 L HN 0.226 nan 8.230 nan 0.000 0.436 396 P HA -0.102 nan 4.420 nan 0.000 0.228 396 P C 1.241 178.487 177.300 -0.089 0.000 1.151 396 P CA 1.048 64.088 63.100 -0.100 0.000 0.770 396 P CB 0.008 31.656 31.700 -0.087 0.000 0.786 397 R N -1.715 118.726 120.500 -0.097 0.000 2.254 397 R HA 0.254 4.594 4.340 0.001 0.000 0.195 397 R C 0.982 177.279 176.300 -0.004 0.000 0.957 397 R CA 0.248 56.314 56.100 -0.056 0.000 1.024 397 R CB -0.229 30.029 30.300 -0.071 0.000 0.952 397 R HN 0.348 nan 8.270 nan 0.000 0.484 398 M N -0.478 119.078 119.600 -0.073 0.000 2.255 398 M HA 0.187 4.668 4.480 0.001 0.000 0.336 398 M C 1.429 177.780 176.300 0.085 0.000 1.135 398 M CA -0.120 55.145 55.300 -0.058 0.000 1.145 398 M CB 1.192 33.719 32.600 -0.123 0.000 1.473 398 M HN -0.047 nan 8.290 nan 0.000 0.462 399 A N 2.053 124.977 122.820 0.174 0.000 2.015 399 A HA 0.172 4.493 4.320 0.001 0.000 0.219 399 A C 0.430 178.262 177.584 0.412 0.000 1.163 399 A CA 1.246 53.494 52.037 0.351 0.000 0.646 399 A CB 0.054 19.320 19.000 0.444 0.000 0.806 399 A HN 0.615 nan 8.150 nan 0.000 0.448 400 L N -0.736 120.667 121.223 0.300 0.000 2.549 400 L HA 0.437 4.777 4.340 0.001 0.000 0.259 400 L C -2.734 174.218 176.870 0.138 0.000 0.934 400 L CA -1.664 53.347 54.840 0.284 0.000 0.865 400 L CB 2.395 44.684 42.059 0.384 0.000 1.352 400 L HN -0.099 nan 8.230 nan 0.000 0.410 401 P HA 0.345 nan 4.420 nan 0.000 0.274 401 P C -2.736 174.608 177.300 0.073 0.000 1.237 401 P CA -1.373 61.734 63.100 0.012 0.000 0.793 401 P CB -0.237 31.498 31.700 0.059 0.000 0.977 402 P HA 0.129 nan 4.420 nan 0.000 0.271 402 P C 0.306 177.784 177.300 0.297 0.000 1.218 402 P CA -0.049 62.993 63.100 -0.097 0.000 0.780 402 P CB 0.354 31.981 31.700 -0.121 0.000 0.901 403 C N 0.126 119.639 119.300 0.356 0.000 2.664 403 C HA 0.042 4.502 4.460 0.001 0.000 0.285 403 C C 0.968 176.157 174.990 0.331 0.000 1.386 403 C CA 0.372 59.596 59.018 0.343 0.000 1.753 403 C CB -1.671 26.301 27.740 0.385 0.000 2.115 403 C HN 0.696 nan 8.230 nan 0.000 0.577 404 H N 1.752 121.082 119.070 0.434 0.000 2.934 404 H HA 0.441 4.997 4.556 0.001 0.000 0.273 404 H C 0.275 175.883 175.328 0.467 0.000 1.121 404 H CA -0.308 55.934 56.048 0.323 0.000 1.451 404 H CB 0.054 30.008 29.762 0.321 0.000 1.469 404 H HN 0.420 nan 8.280 nan 0.000 0.476 405 L N 1.174 122.591 121.223 0.323 0.000 2.878 405 L HA 0.463 4.804 4.340 0.001 0.000 0.253 405 L C -0.514 176.472 176.870 0.193 0.000 1.135 405 L CA -0.219 54.818 54.840 0.328 0.000 0.943 405 L CB 0.475 42.746 42.059 0.353 0.000 1.307 405 L HN 0.497 nan 8.230 nan 0.000 0.545 406 L N 1.008 122.256 121.223 0.041 0.000 2.482 406 L HA 0.943 5.283 4.340 0.001 0.000 0.263 406 L C -1.461 175.195 176.870 -0.356 0.000 0.957 406 L CA -0.373 54.366 54.840 -0.168 0.000 0.836 406 L CB 2.108 44.099 42.059 -0.114 0.000 1.324 406 L HN 0.111 nan 8.230 nan 0.000 0.406 407 A N 4.127 126.550 122.820 -0.661 0.000 2.427 407 A HA 0.700 5.021 4.320 0.001 0.000 0.298 407 A C -1.473 175.746 177.584 -0.610 0.000 1.036 407 A CA -0.474 51.145 52.037 -0.698 0.000 0.701 407 A CB 1.686 20.188 19.000 -0.830 0.000 1.250 407 A HN 0.673 nan 8.150 nan 0.000 0.412 408 Q N 1.386 120.903 119.800 -0.471 0.000 2.309 408 Q HA 0.734 5.074 4.340 0.001 0.000 0.264 408 Q C -1.767 173.994 176.000 -0.398 0.000 1.008 408 Q CA -0.486 55.139 55.803 -0.298 0.000 0.853 408 Q CB 1.205 29.855 28.738 -0.146 0.000 1.314 408 Q HN 0.611 nan 8.270 nan 0.000 0.448 409 F N 2.179 122.169 119.950 0.067 0.000 2.507 409 F HA 0.536 5.064 4.527 0.001 0.000 0.327 409 F C -0.747 175.152 175.800 0.164 0.000 1.068 409 F CA -0.547 57.519 58.000 0.110 0.000 0.965 409 F CB 1.441 40.498 39.000 0.094 0.000 1.192 409 F HN 0.509 nan 8.300 nan 0.000 0.476 410 Y N 0.953 121.383 120.300 0.217 0.000 2.552 410 Y HA 0.717 5.268 4.550 0.001 0.000 0.337 410 Y C -2.016 173.948 175.900 0.107 0.000 1.094 410 Y CA -1.093 57.076 58.100 0.114 0.000 1.028 410 Y CB 1.721 40.217 38.460 0.060 0.000 1.321 410 Y HN 0.346 nan 8.280 nan 0.000 0.456 411 V N 4.578 124.261 119.914 -0.386 0.000 2.577 411 V HA 0.728 4.849 4.120 0.001 0.000 0.303 411 V C -1.273 174.605 176.094 -0.361 0.000 1.042 411 V CA -0.473 61.696 62.300 -0.219 0.000 0.872 411 V CB 1.713 33.459 31.823 -0.128 0.000 0.998 411 V HN 0.820 nan 8.190 nan 0.000 0.423 412 S N 2.896 118.537 115.700 -0.098 0.000 2.543 412 S HA 0.551 5.021 4.470 0.001 0.000 0.271 412 S C -0.372 174.238 174.600 0.017 0.000 1.148 412 S CA -0.894 57.279 58.200 -0.044 0.000 0.914 412 S CB 1.583 64.821 63.200 0.063 0.000 1.096 412 S HN 0.775 nan 8.310 nan 0.000 0.471 413 N N 1.273 119.974 118.700 0.001 0.000 2.725 413 N HA -0.194 4.547 4.740 0.001 0.000 0.251 413 N C 1.012 176.529 175.510 0.011 0.000 1.031 413 N CA 1.383 54.439 53.050 0.011 0.000 0.720 413 N CB -1.662 36.840 38.487 0.025 0.000 0.930 413 N HN 2.023 nan 8.380 nan 0.000 0.543 414 G N -0.946 107.853 108.800 -0.002 0.000 2.166 414 G HA2 -0.343 3.617 3.960 0.001 0.000 0.260 414 G HA3 -0.343 3.617 3.960 0.001 0.000 0.260 414 G C -0.152 174.756 174.900 0.015 0.000 0.986 414 G CA 0.904 46.004 45.100 -0.000 0.000 0.683 414 G HN 0.631 nan 8.290 nan 0.000 0.527 415 E N -0.736 119.482 120.200 0.031 0.000 2.191 415 E HA 0.578 4.929 4.350 0.001 0.000 0.278 415 E C -0.534 176.115 176.600 0.082 0.000 0.972 415 E CA -1.032 55.404 56.400 0.059 0.000 0.804 415 E CB 1.973 31.718 29.700 0.076 0.000 1.110 415 E HN 0.142 nan 8.360 nan 0.000 0.394 416 L N 2.307 123.589 121.223 0.098 0.000 2.262 416 L HA 0.313 4.654 4.340 0.001 0.000 0.288 416 L C -0.744 176.254 176.870 0.213 0.000 1.035 416 L CA 0.146 55.075 54.840 0.148 0.000 0.820 416 L CB 1.137 43.264 42.059 0.112 0.000 1.204 416 L HN 0.314 nan 8.230 nan 0.000 0.424 417 S N 3.604 119.467 115.700 0.272 0.000 2.638 417 S HA 0.695 5.166 4.470 0.001 0.000 0.298 417 S C -1.141 173.594 174.600 0.225 0.000 1.111 417 S CA -0.550 57.791 58.200 0.234 0.000 1.027 417 S CB 1.446 64.777 63.200 0.218 0.000 1.064 417 S HN 0.822 nan 8.310 nan 0.000 0.525 418 C N 4.235 123.582 119.300 0.079 0.000 2.686 418 C HA 0.645 5.106 4.460 0.001 0.000 0.318 418 C C -1.002 173.890 174.990 -0.164 0.000 1.160 418 C CA -0.764 58.171 59.018 -0.137 0.000 1.396 418 C CB 0.765 28.413 27.740 -0.154 0.000 1.924 418 C HN 0.830 nan 8.230 nan 0.000 0.471 419 M N 5.113 124.555 119.600 -0.263 0.000 2.268 419 M HA 0.490 4.970 4.480 0.001 0.000 0.344 419 M C -0.925 175.180 176.300 -0.325 0.000 1.106 419 M CA -0.469 54.695 55.300 -0.226 0.000 1.010 419 M CB 1.500 33.992 32.600 -0.181 0.000 1.649 419 M HN 0.751 nan 8.290 nan 0.000 0.443 420 L N 5.745 126.755 121.223 -0.355 0.000 2.313 420 L HA 0.447 4.788 4.340 0.001 0.000 0.283 420 L C -1.784 174.893 176.870 -0.321 0.000 1.013 420 L CA -0.341 54.179 54.840 -0.534 0.000 0.816 420 L CB 1.293 42.778 42.059 -0.956 0.000 1.236 420 L HN 0.563 nan 8.230 nan 0.000 0.419 421 Y N 4.260 124.368 120.300 -0.321 0.000 2.331 421 Y HA 0.513 5.064 4.550 0.002 0.000 0.338 421 Y C -0.493 175.340 175.900 -0.111 0.000 0.976 421 Y CA -0.055 57.935 58.100 -0.183 0.000 1.137 421 Y CB 1.024 39.386 38.460 -0.162 0.000 1.172 421 Y HN 0.722 nan 8.280 nan 0.000 0.478 422 Q N 6.590 126.080 119.800 -0.515 0.000 2.309 422 Q HA 0.280 4.621 4.340 0.001 0.000 0.270 422 Q C 0.461 176.265 176.000 -0.328 0.000 1.023 422 Q CA -0.760 54.929 55.803 -0.189 0.000 0.758 422 Q CB 1.212 29.973 28.738 0.038 0.000 1.247 422 Q HN 0.989 nan 8.270 nan 0.000 0.455 423 R N 1.181 121.646 120.500 -0.057 0.000 2.119 423 R HA 0.103 4.444 4.340 0.001 0.000 0.222 423 R C 0.423 176.773 176.300 0.084 0.000 1.088 423 R CA 0.695 56.814 56.100 0.032 0.000 0.984 423 R CB 0.279 30.632 30.300 0.088 0.000 0.884 423 R HN 0.269 nan 8.270 nan 0.000 0.447 424 S N 0.048 115.827 115.700 0.131 0.000 2.736 424 S HA 0.433 4.904 4.470 0.001 0.000 0.285 424 S C -1.394 173.317 174.600 0.184 0.000 1.163 424 S CA -0.916 57.416 58.200 0.220 0.000 1.025 424 S CB 1.423 64.788 63.200 0.276 0.000 1.030 424 S HN 0.344 nan 8.310 nan 0.000 0.486 425 C N 4.086 123.399 119.300 0.021 0.000 2.356 425 C HA 0.480 4.940 4.460 0.001 0.000 0.324 425 C C -0.124 174.526 174.990 -0.567 0.000 1.167 425 C CA -1.101 57.843 59.018 -0.124 0.000 1.420 425 C CB -0.307 27.375 27.740 -0.096 0.000 2.036 425 C HN 0.939 nan 8.230 nan 0.000 0.435 426 D N 3.296 123.488 120.400 -0.346 0.000 2.346 426 D HA 0.147 4.788 4.640 0.001 0.000 0.260 426 D C 1.207 177.479 176.300 -0.047 0.000 1.252 426 D CA -0.083 53.768 54.000 -0.248 0.000 0.895 426 D CB 0.670 41.616 40.800 0.244 0.000 1.097 426 D HN 0.380 nan 8.370 nan 0.000 0.489 427 M N 3.142 122.702 119.600 -0.066 0.000 2.319 427 M HA 0.059 4.539 4.480 0.001 0.000 0.265 427 M C 1.996 178.434 176.300 0.230 0.000 1.068 427 M CA 0.850 56.194 55.300 0.072 0.000 1.118 427 M CB -0.975 31.593 32.600 -0.054 0.000 1.395 427 M HN 0.594 nan 8.290 nan 0.000 0.435 428 G N -0.021 108.910 108.800 0.218 0.000 2.404 428 G HA2 -0.081 3.880 3.960 0.001 0.000 0.215 428 G HA3 -0.081 3.880 3.960 0.001 0.000 0.215 428 G C 1.578 176.579 174.900 0.169 0.000 1.174 428 G CA 0.627 45.848 45.100 0.201 0.000 0.780 428 G HN 0.415 nan 8.290 nan 0.000 0.537 429 L N -0.940 120.390 121.223 0.177 0.000 2.641 429 L HA 0.325 4.666 4.340 0.001 0.000 0.207 429 L C 2.943 179.906 176.870 0.156 0.000 1.049 429 L CA 0.691 55.619 54.840 0.147 0.000 0.866 429 L CB -0.198 41.921 42.059 0.100 0.000 1.264 429 L HN 0.229 nan 8.230 nan 0.000 0.483 430 G N 0.062 108.944 108.800 0.136 0.000 2.433 430 G HA2 -0.186 3.775 3.960 0.001 0.000 0.216 430 G HA3 -0.186 3.775 3.960 0.001 0.000 0.216 430 G C 1.499 176.519 174.900 0.200 0.000 1.186 430 G CA 1.204 46.383 45.100 0.132 0.000 0.779 430 G HN 0.100 nan 8.290 nan 0.000 0.543 431 V N 2.128 122.145 119.914 0.172 0.000 2.261 431 V HA -0.109 4.012 4.120 0.001 0.000 0.246 431 V C 0.319 176.481 176.094 0.112 0.000 1.047 431 V CA 2.277 64.670 62.300 0.154 0.000 1.015 431 V CB -1.115 30.797 31.823 0.148 0.000 0.642 431 V HN 0.299 nan 8.190 nan 0.000 0.446 432 P HA -0.159 nan 4.420 nan 0.000 0.218 432 P C 1.668 178.987 177.300 0.033 0.000 1.149 432 P CA 1.409 64.467 63.100 -0.070 0.000 0.817 432 P CB -0.102 31.552 31.700 -0.078 0.000 0.785 433 F N 0.454 120.404 119.950 0.000 0.000 2.146 433 F HA -0.135 4.393 4.527 0.001 0.000 0.298 433 F C 1.818 177.630 175.800 0.019 0.000 1.096 433 F CA 1.488 59.494 58.000 0.011 0.000 1.275 433 F CB -0.522 38.497 39.000 0.032 0.000 1.008 433 F HN -0.159 nan 8.300 nan 0.000 0.480 434 N N 0.434 119.328 118.700 0.324 0.000 2.270 434 N HA -0.081 4.660 4.740 0.001 0.000 0.181 434 N C 1.976 177.606 175.510 0.200 0.000 1.016 434 N CA 1.198 54.409 53.050 0.268 0.000 0.870 434 N CB -0.352 38.304 38.487 0.281 0.000 0.979 434 N HN 0.315 nan 8.380 nan 0.000 0.431 435 I N 0.861 121.493 120.570 0.104 0.000 2.142 435 I HA -0.273 3.897 4.170 0.001 0.000 0.240 435 I C 2.260 178.301 176.117 -0.127 0.000 1.078 435 I CA 1.184 62.432 61.300 -0.086 0.000 1.343 435 I CB -0.331 37.430 38.000 -0.399 0.000 1.046 435 I HN 0.072 nan 8.210 nan 0.000 0.405 436 A N -0.068 122.671 122.820 -0.135 0.000 1.883 436 A HA -0.240 4.081 4.320 0.001 0.000 0.217 436 A C 2.484 180.058 177.584 -0.016 0.000 1.186 436 A CA 2.370 54.351 52.037 -0.094 0.000 0.624 436 A CB -0.915 18.017 19.000 -0.112 0.000 0.822 436 A HN 0.384 nan 8.150 nan 0.000 0.444 437 S N -1.523 114.154 115.700 -0.038 0.000 2.359 437 S HA -0.194 4.276 4.470 0.001 0.000 0.223 437 S C 1.840 176.415 174.600 -0.041 0.000 1.039 437 S CA 1.903 60.076 58.200 -0.045 0.000 1.042 437 S CB -0.547 62.664 63.200 0.018 0.000 0.915 437 S HN 0.670 nan 8.310 nan 0.000 0.439 438 Y N 1.299 121.610 120.300 0.018 0.000 2.457 438 Y HA 0.125 4.675 4.550 0.001 0.000 0.292 438 Y C 2.383 178.307 175.900 0.040 0.000 1.125 438 Y CA 0.331 58.453 58.100 0.038 0.000 1.254 438 Y CB -0.595 37.838 38.460 -0.046 0.000 1.012 438 Y HN 0.263 nan 8.280 nan 0.000 0.555 439 A N 0.091 122.975 122.820 0.107 0.000 1.851 439 A HA -0.215 4.105 4.320 0.001 0.000 0.216 439 A C 2.151 179.794 177.584 0.098 0.000 1.195 439 A CA 1.792 53.863 52.037 0.057 0.000 0.622 439 A CB -1.138 17.832 19.000 -0.050 0.000 0.831 439 A HN 0.391 nan 8.150 nan 0.000 0.444 440 L N -0.712 120.582 121.223 0.117 0.000 2.042 440 L HA -0.160 4.181 4.340 0.001 0.000 0.210 440 L C 2.300 179.244 176.870 0.123 0.000 1.076 440 L CA 2.229 57.164 54.840 0.159 0.000 0.749 440 L CB -0.733 41.414 42.059 0.146 0.000 0.893 440 L HN 0.397 nan 8.230 nan 0.000 0.432 441 L N -1.096 120.181 121.223 0.089 0.000 2.017 441 L HA -0.202 4.139 4.340 0.001 0.000 0.208 441 L C 2.348 179.319 176.870 0.170 0.000 1.073 441 L CA 2.503 57.407 54.840 0.107 0.000 0.745 441 L CB -1.027 41.058 42.059 0.044 0.000 0.894 441 L HN 0.336 nan 8.230 nan 0.000 0.432 442 T N -0.012 114.675 114.554 0.223 0.000 2.746 442 T HA -0.175 4.176 4.350 0.001 0.000 0.267 442 T C 1.938 176.726 174.700 0.147 0.000 1.039 442 T CA 2.039 64.302 62.100 0.272 0.000 1.142 442 T CB -0.393 68.631 68.868 0.260 0.000 0.866 442 T HN 0.320 nan 8.240 nan 0.000 0.444 443 I N 0.742 121.385 120.570 0.120 0.000 2.127 443 I HA -0.174 3.997 4.170 0.001 0.000 0.241 443 I C 2.344 178.461 176.117 -0.001 0.000 1.075 443 I CA 1.340 62.693 61.300 0.089 0.000 1.334 443 I CB -0.458 37.642 38.000 0.167 0.000 1.040 443 I HN 0.190 nan 8.210 nan 0.000 0.405 444 L N 0.135 121.356 121.223 -0.003 0.000 2.046 444 L HA -0.227 4.114 4.340 0.001 0.000 0.208 444 L C 2.525 179.316 176.870 -0.131 0.000 1.077 444 L CA 1.106 55.868 54.840 -0.130 0.000 0.747 444 L CB -0.479 41.530 42.059 -0.084 0.000 0.896 444 L HN 0.268 nan 8.230 nan 0.000 0.432 445 I N 0.068 120.591 120.570 -0.079 0.000 2.394 445 I HA -0.200 3.971 4.170 0.001 0.000 0.251 445 I C 2.834 178.866 176.117 -0.140 0.000 1.136 445 I CA 1.357 62.569 61.300 -0.146 0.000 1.425 445 I CB -1.492 36.348 38.000 -0.267 0.000 1.079 445 I HN 0.164 nan 8.210 nan 0.000 0.425 446 A N 1.174 123.944 122.820 -0.084 0.000 1.883 446 A HA -0.231 4.089 4.320 0.001 0.000 0.217 446 A C 2.380 179.910 177.584 -0.091 0.000 1.186 446 A CA 1.663 53.662 52.037 -0.064 0.000 0.624 446 A CB -0.529 18.463 19.000 -0.014 0.000 0.822 446 A HN 0.338 nan 8.150 nan 0.000 0.444 447 K N -0.462 119.857 120.400 -0.136 0.000 2.097 447 K HA -0.072 4.248 4.320 0.001 0.000 0.206 447 K C 2.139 178.664 176.600 -0.125 0.000 1.049 447 K CA 1.144 57.328 56.287 -0.172 0.000 0.933 447 K CB -0.297 32.010 32.500 -0.320 0.000 0.717 447 K HN 0.454 nan 8.250 nan 0.000 0.442 448 A N 0.841 123.591 122.820 -0.117 0.000 2.119 448 A HA -0.085 4.236 4.320 0.001 0.000 0.217 448 A C 1.863 179.401 177.584 -0.076 0.000 1.153 448 A CA 1.707 53.696 52.037 -0.079 0.000 0.692 448 A CB -0.354 18.602 19.000 -0.073 0.000 0.799 448 A HN 0.443 nan 8.150 nan 0.000 0.458 449 T N -5.607 108.895 114.554 -0.087 0.000 3.040 449 T HA 0.436 4.787 4.350 0.001 0.000 0.266 449 T C 1.088 175.751 174.700 -0.062 0.000 1.005 449 T CA 0.903 62.955 62.100 -0.080 0.000 0.906 449 T CB 0.189 68.994 68.868 -0.104 0.000 1.082 449 T HN 1.627 nan 8.240 nan 0.000 0.531 450 G N 1.565 110.329 108.800 -0.059 0.000 2.256 450 G HA2 -0.176 3.785 3.960 0.001 0.000 0.272 450 G HA3 -0.176 3.785 3.960 0.001 0.000 0.272 450 G C -0.286 174.592 174.900 -0.037 0.000 1.076 450 G CA 0.318 45.390 45.100 -0.046 0.000 0.882 450 G HN 0.657 nan 8.290 nan 0.000 0.497 451 L N -1.589 119.612 121.223 -0.037 0.000 2.301 451 L HA 0.731 5.072 4.340 0.001 0.000 0.264 451 L C 0.843 177.708 176.870 -0.008 0.000 1.016 451 L CA -1.407 53.422 54.840 -0.020 0.000 0.821 451 L CB 1.577 43.625 42.059 -0.018 0.000 1.346 451 L HN 0.102 nan 8.230 nan 0.000 0.429 452 R N 0.816 121.323 120.500 0.011 0.000 2.404 452 R HA 0.389 4.729 4.340 0.001 0.000 0.291 452 R C -2.442 173.886 176.300 0.045 0.000 1.025 452 R CA -1.674 54.442 56.100 0.026 0.000 0.991 452 R CB 0.791 31.110 30.300 0.033 0.000 1.053 452 R HN 0.233 nan 8.270 nan 0.000 0.479 453 P HA -0.022 nan 4.420 nan 0.000 0.266 453 P C -0.229 177.122 177.300 0.084 0.000 1.195 453 P CA 0.251 63.398 63.100 0.079 0.000 0.768 453 P CB 1.007 32.756 31.700 0.080 0.000 0.838 454 G N 2.301 111.163 108.800 0.103 0.000 2.930 454 G HA2 0.228 4.188 3.960 0.001 0.000 0.209 454 G HA3 0.228 4.188 3.960 0.001 0.000 0.209 454 G C -0.584 174.375 174.900 0.098 0.000 2.018 454 G CA -0.087 45.075 45.100 0.103 0.000 0.751 454 G HN 0.474 nan 8.290 nan 0.000 0.770 455 E N -0.836 119.427 120.200 0.105 0.000 2.277 455 E HA 0.539 4.890 4.350 0.001 0.000 0.266 455 E C -1.689 174.972 176.600 0.102 0.000 0.901 455 E CA -0.749 55.707 56.400 0.093 0.000 0.782 455 E CB 2.903 32.639 29.700 0.059 0.000 1.228 455 E HN 0.185 nan 8.360 nan 0.000 0.424 456 L N 2.456 123.757 121.223 0.131 0.000 2.287 456 L HA 0.365 4.706 4.340 0.001 0.000 0.287 456 L C -1.428 175.535 176.870 0.155 0.000 1.022 456 L CA -0.622 54.297 54.840 0.131 0.000 0.814 456 L CB 1.438 43.587 42.059 0.150 0.000 1.217 456 L HN 0.276 nan 8.230 nan 0.000 0.420 457 V N 4.857 124.804 119.914 0.056 0.000 2.398 457 V HA 0.345 4.465 4.120 0.001 0.000 0.286 457 V C -0.513 175.608 176.094 0.045 0.000 1.026 457 V CA -0.562 61.765 62.300 0.045 0.000 0.868 457 V CB 1.149 32.951 31.823 -0.036 0.000 0.982 457 V HN 0.784 nan 8.190 nan 0.000 0.443 458 H N 2.460 121.549 119.070 0.032 0.000 2.504 458 H HA 0.508 5.064 4.556 0.001 0.000 0.322 458 H C -0.367 174.920 175.328 -0.069 0.000 1.055 458 H CA -0.297 55.745 56.048 -0.010 0.000 1.231 458 H CB 1.060 30.892 29.762 0.116 0.000 1.417 458 H HN 0.707 nan 8.280 nan 0.000 0.472 459 T N 6.581 121.185 114.554 0.083 0.000 2.758 459 T HA 0.306 4.656 4.350 0.001 0.000 0.285 459 T C -0.649 173.939 174.700 -0.185 0.000 0.981 459 T CA -0.666 61.405 62.100 -0.049 0.000 0.965 459 T CB 0.472 69.315 68.868 -0.042 0.000 0.927 459 T HN 0.298 nan 8.240 nan 0.000 0.448 460 L N 2.514 123.617 121.223 -0.200 0.000 2.317 460 L HA 0.658 4.999 4.340 0.001 0.000 0.281 460 L C 1.249 177.923 176.870 -0.327 0.000 1.024 460 L CA -0.323 54.371 54.840 -0.244 0.000 0.810 460 L CB 1.378 43.335 42.059 -0.169 0.000 1.240 460 L HN 0.774 nan 8.230 nan 0.000 0.427 461 G N 0.394 109.009 108.800 -0.308 0.000 2.542 461 G HA2 -0.059 3.902 3.960 0.001 0.000 0.211 461 G HA3 -0.059 3.902 3.960 0.001 0.000 0.211 461 G C -0.173 174.785 174.900 0.096 0.000 1.702 461 G CA 0.030 45.047 45.100 -0.139 0.000 0.935 461 G HN 0.577 nan 8.290 nan 0.000 0.509 462 D N 1.784 122.330 120.400 0.243 0.000 2.453 462 D HA 0.477 5.118 4.640 0.001 0.000 0.223 462 D C -0.002 176.417 176.300 0.199 0.000 1.183 462 D CA -0.283 53.885 54.000 0.280 0.000 0.933 462 D CB 0.430 41.374 40.800 0.240 0.000 1.038 462 D HN 0.273 nan 8.370 nan 0.000 0.513 463 A N 5.206 128.080 122.820 0.090 0.000 2.289 463 A HA 0.502 4.823 4.320 0.001 0.000 0.298 463 A C -0.169 177.403 177.584 -0.020 0.000 1.208 463 A CA -0.507 51.502 52.037 -0.048 0.000 0.845 463 A CB 0.423 19.371 19.000 -0.087 0.000 1.125 463 A HN 0.735 nan 8.150 nan 0.000 0.517 464 H N -0.192 118.834 119.070 -0.073 0.000 2.928 464 H HA 0.754 5.310 4.556 0.001 0.000 0.371 464 H C -1.866 173.376 175.328 -0.144 0.000 1.186 464 H CA -1.072 54.893 56.048 -0.139 0.000 1.134 464 H CB 1.210 30.836 29.762 -0.226 0.000 1.824 464 H HN 0.329 nan 8.280 nan 0.000 0.554 465 V N 2.102 121.999 119.914 -0.028 0.000 2.604 465 V HA 0.172 4.292 4.120 0.001 0.000 0.305 465 V C -0.830 175.230 176.094 -0.057 0.000 1.043 465 V CA -0.805 61.498 62.300 0.007 0.000 0.888 465 V CB 1.524 33.368 31.823 0.034 0.000 0.995 465 V HN 0.622 nan 8.190 nan 0.000 0.429 466 Y N 2.015 122.349 120.300 0.056 0.000 2.425 466 Y HA 0.082 4.633 4.550 0.001 0.000 0.331 466 Y C 1.948 177.791 175.900 -0.096 0.000 1.157 466 Y CA 0.645 58.683 58.100 -0.103 0.000 1.372 466 Y CB 1.164 39.405 38.460 -0.364 0.000 1.253 466 Y HN 0.730 nan 8.280 nan 0.000 0.536 467 S N 1.868 117.613 115.700 0.075 0.000 2.381 467 S HA -0.336 4.135 4.470 0.001 0.000 0.230 467 S C 1.761 176.394 174.600 0.055 0.000 1.052 467 S CA 2.154 60.380 58.200 0.044 0.000 1.068 467 S CB -0.421 62.804 63.200 0.041 0.000 0.918 467 S HN 0.911 nan 8.310 nan 0.000 0.448 468 N N 0.915 119.637 118.700 0.036 0.000 2.188 468 N HA -0.129 4.611 4.740 0.001 0.000 0.184 468 N C 1.069 176.675 175.510 0.160 0.000 1.018 468 N CA 1.430 54.515 53.050 0.058 0.000 0.858 468 N CB -0.926 37.575 38.487 0.023 0.000 0.989 468 N HN 0.382 nan 8.380 nan 0.000 0.426 469 H N -0.384 118.751 119.070 0.109 0.000 2.568 469 H HA 0.105 4.662 4.556 0.001 0.000 0.281 469 H C 1.607 176.975 175.328 0.066 0.000 1.028 469 H CA 0.089 56.194 56.048 0.096 0.000 1.199 469 H CB -0.309 29.536 29.762 0.139 0.000 1.352 469 H HN 0.129 nan 8.280 nan 0.000 0.605 470 V N 0.418 120.429 119.914 0.163 0.000 2.358 470 V HA -0.213 3.907 4.120 0.001 0.000 0.246 470 V C 2.136 178.270 176.094 0.067 0.000 1.047 470 V CA 1.678 64.033 62.300 0.092 0.000 1.035 470 V CB -0.186 31.671 31.823 0.058 0.000 0.658 470 V HN 0.416 nan 8.190 nan 0.000 0.452 471 E N 0.167 120.407 120.200 0.067 0.000 2.031 471 E HA -0.157 4.194 4.350 0.001 0.000 0.193 471 E C -0.201 176.424 176.600 0.042 0.000 0.994 471 E CA 1.674 58.102 56.400 0.046 0.000 0.800 471 E CB -1.050 28.677 29.700 0.044 0.000 0.752 471 E HN 0.553 nan 8.360 nan 0.000 0.447 472 P HA -0.136 nan 4.420 nan 0.000 0.218 472 P C 1.128 178.444 177.300 0.026 0.000 1.149 472 P CA 1.088 64.207 63.100 0.033 0.000 0.817 472 P CB -0.044 31.671 31.700 0.025 0.000 0.785 473 C N -0.433 118.892 119.300 0.042 0.000 2.440 473 C HA -0.020 4.441 4.460 0.001 0.000 0.278 473 C C 2.682 177.678 174.990 0.010 0.000 1.295 473 C CA 0.753 59.790 59.018 0.032 0.000 1.738 473 C CB -1.896 25.870 27.740 0.044 0.000 1.987 473 C HN 0.286 nan 8.230 nan 0.000 0.492 474 N N 0.641 119.347 118.700 0.011 0.000 2.244 474 N HA -0.094 4.646 4.740 0.001 0.000 0.183 474 N C 1.761 177.266 175.510 -0.008 0.000 1.016 474 N CA 0.975 54.024 53.050 -0.002 0.000 0.866 474 N CB -0.371 38.118 38.487 0.003 0.000 0.980 474 N HN 0.572 nan 8.380 nan 0.000 0.430 475 E N 1.136 121.334 120.200 -0.003 0.000 2.038 475 E HA -0.208 4.143 4.350 0.001 0.000 0.195 475 E C 1.835 178.417 176.600 -0.030 0.000 1.000 475 E CA 0.851 57.244 56.400 -0.011 0.000 0.803 475 E CB -0.311 29.388 29.700 -0.002 0.000 0.750 475 E HN 0.476 nan 8.360 nan 0.000 0.448 476 Q N 0.353 120.140 119.800 -0.021 0.000 2.170 476 Q HA -0.114 4.227 4.340 0.001 0.000 0.203 476 Q C 2.311 178.282 176.000 -0.048 0.000 0.976 476 Q CA 0.749 56.532 55.803 -0.033 0.000 0.858 476 Q CB -0.046 28.701 28.738 0.015 0.000 0.907 476 Q HN 0.242 nan 8.270 nan 0.000 0.433 477 L N 0.265 121.469 121.223 -0.032 0.000 2.362 477 L HA -0.143 4.198 4.340 0.001 0.000 0.219 477 L C 2.157 178.996 176.870 -0.051 0.000 1.134 477 L CA 0.800 55.619 54.840 -0.035 0.000 0.807 477 L CB -0.253 41.788 42.059 -0.031 0.000 0.927 477 L HN 0.126 nan 8.230 nan 0.000 0.447 478 K N 0.387 120.751 120.400 -0.060 0.000 2.280 478 K HA -0.067 4.253 4.320 0.001 0.000 0.202 478 K C 0.513 177.051 176.600 -0.104 0.000 1.047 478 K CA 0.675 56.923 56.287 -0.065 0.000 0.942 478 K CB -0.011 32.457 32.500 -0.054 0.000 0.739 478 K HN 0.338 nan 8.250 nan 0.000 0.457 479 R N 1.360 121.754 120.500 -0.177 0.000 2.308 479 R HA 0.171 4.512 4.340 0.001 0.000 0.305 479 R C -0.471 175.709 176.300 -0.199 0.000 1.053 479 R CA -0.406 55.495 56.100 -0.332 0.000 0.957 479 R CB 1.349 31.241 30.300 -0.680 0.000 1.022 479 R HN -0.165 nan 8.270 nan 0.000 0.461 480 V N 6.213 126.066 119.914 -0.103 0.000 2.470 480 V HA 0.102 4.223 4.120 0.001 0.000 0.276 480 V C -1.856 174.288 176.094 0.083 0.000 1.040 480 V CA -1.615 60.691 62.300 0.011 0.000 1.008 480 V CB 0.725 32.587 31.823 0.066 0.000 0.990 480 V HN 0.623 nan 8.190 nan 0.000 0.477 481 P HA 0.214 nan 4.420 nan 0.000 0.267 481 P C -0.114 177.227 177.300 0.068 0.000 1.200 481 P CA 0.015 63.161 63.100 0.077 0.000 0.772 481 P CB 0.634 32.328 31.700 -0.009 0.000 0.855 482 R N 1.175 121.718 120.500 0.072 0.000 2.606 482 R HA 0.707 5.048 4.340 0.001 0.000 0.249 482 R C 0.014 176.218 176.300 -0.160 0.000 1.127 482 R CA -1.031 55.057 56.100 -0.020 0.000 1.133 482 R CB 0.704 30.991 30.300 -0.022 0.000 1.243 482 R HN 0.466 nan 8.270 nan 0.000 0.558 483 A N 1.083 123.826 122.820 -0.128 0.000 2.462 483 A HA 0.242 4.563 4.320 0.001 0.000 0.243 483 A C -0.510 177.018 177.584 -0.093 0.000 1.076 483 A CA -0.102 51.836 52.037 -0.165 0.000 0.773 483 A CB -0.035 18.933 19.000 -0.052 0.000 1.010 483 A HN 0.392 nan 8.150 nan 0.000 0.493 484 F N 2.540 122.459 119.950 -0.051 0.000 2.490 484 F HA 0.306 4.834 4.527 0.001 0.000 0.336 484 F C -1.138 174.543 175.800 -0.198 0.000 1.178 484 F CA -1.604 56.334 58.000 -0.104 0.000 1.301 484 F CB 0.020 38.917 39.000 -0.172 0.000 1.175 484 F HN 0.413 nan 8.300 nan 0.000 0.593 485 P HA 0.175 nan 4.420 nan 0.000 0.297 485 P C -1.536 175.525 177.300 -0.398 0.000 1.303 485 P CA -0.013 63.047 63.100 -0.066 0.000 0.753 485 P CB 0.750 32.378 31.700 -0.120 0.000 1.281 486 Y N -2.061 118.178 120.300 -0.103 0.000 2.536 486 Y HA 0.517 5.068 4.550 0.001 0.000 0.347 486 Y C -0.014 175.756 175.900 -0.216 0.000 1.000 486 Y CA -1.036 56.996 58.100 -0.113 0.000 1.051 486 Y CB 1.504 39.943 38.460 -0.035 0.000 1.259 486 Y HN 0.065 nan 8.280 nan 0.000 0.468 487 L N 3.739 124.934 121.223 -0.047 0.000 2.296 487 L HA 0.803 5.144 4.340 0.001 0.000 0.286 487 L C -0.834 176.005 176.870 -0.052 0.000 1.023 487 L CA -0.737 54.001 54.840 -0.170 0.000 0.812 487 L CB 1.115 43.045 42.059 -0.214 0.000 1.223 487 L HN 0.481 nan 8.230 nan 0.000 0.421 488 V N 1.221 121.061 119.914 -0.124 0.000 2.864 488 V HA 0.622 4.743 4.120 0.001 0.000 0.314 488 V C -0.828 175.174 176.094 -0.153 0.000 1.073 488 V CA -0.744 61.544 62.300 -0.019 0.000 0.956 488 V CB 1.824 33.659 31.823 0.020 0.000 1.023 488 V HN 0.549 nan 8.190 nan 0.000 0.435 489 F N 3.057 123.039 119.950 0.053 0.000 2.332 489 F HA 0.568 5.095 4.527 0.001 0.000 0.368 489 F C 1.502 177.348 175.800 0.078 0.000 1.110 489 F CA -0.760 57.289 58.000 0.081 0.000 1.087 489 F CB 1.852 40.908 39.000 0.093 0.000 1.235 489 F HN 0.725 nan 8.300 nan 0.000 0.470 490 R N 1.546 122.148 120.500 0.170 0.000 2.280 490 R HA 0.124 4.465 4.340 0.001 0.000 0.207 490 R C 0.448 176.835 176.300 0.145 0.000 1.043 490 R CA 0.629 56.804 56.100 0.126 0.000 1.006 490 R CB 0.353 30.697 30.300 0.073 0.000 0.885 490 R HN 0.522 nan 8.270 nan 0.000 0.467 491 R N 0.146 120.779 120.500 0.221 0.000 2.629 491 R HA 0.183 4.524 4.340 0.001 0.000 0.266 491 R C -1.293 175.165 176.300 0.263 0.000 1.051 491 R CA -0.626 55.582 56.100 0.180 0.000 0.895 491 R CB 1.650 32.026 30.300 0.127 0.000 1.246 491 R HN 0.009 nan 8.270 nan 0.000 0.459 492 E N 2.149 122.432 120.200 0.138 0.000 2.303 492 E HA 0.563 4.914 4.350 0.001 0.000 0.254 492 E C -0.470 176.019 176.600 -0.184 0.000 0.979 492 E CA -0.899 55.568 56.400 0.113 0.000 0.843 492 E CB 1.289 31.043 29.700 0.090 0.000 1.245 492 E HN 0.399 nan 8.360 nan 0.000 0.413 493 R N 0.404 120.649 120.500 -0.426 0.000 2.808 493 R HA 0.224 4.565 4.340 0.001 0.000 0.272 493 R C 0.802 176.931 176.300 -0.286 0.000 0.995 493 R CA -0.575 55.234 56.100 -0.484 0.000 0.917 493 R CB 1.295 31.053 30.300 -0.904 0.000 1.217 493 R HN 0.653 nan 8.270 nan 0.000 0.471 494 E N 0.644 120.683 120.200 -0.269 0.000 2.106 494 E HA -0.030 4.321 4.350 0.001 0.000 0.192 494 E C -0.473 175.758 176.600 -0.616 0.000 0.984 494 E CA 1.258 57.388 56.400 -0.451 0.000 0.806 494 E CB 0.260 29.637 29.700 -0.539 0.000 0.750 494 E HN 0.265 nan 8.360 nan 0.000 0.458 495 F N -0.639 119.284 119.950 -0.044 0.000 2.561 495 F HA 0.196 4.724 4.527 0.001 0.000 0.321 495 F C 0.637 176.489 175.800 0.087 0.000 1.065 495 F CA -0.913 57.097 58.000 0.018 0.000 0.934 495 F CB 1.276 40.286 39.000 0.016 0.000 1.215 495 F HN -0.155 nan 8.300 nan 0.000 0.471 496 L N 1.437 122.874 121.223 0.357 0.000 2.046 496 L HA -0.113 4.228 4.340 0.001 0.000 0.208 496 L C 1.713 178.800 176.870 0.362 0.000 1.077 496 L CA 2.087 57.152 54.840 0.374 0.000 0.747 496 L CB -0.534 41.649 42.059 0.207 0.000 0.896 496 L HN 0.648 nan 8.230 nan 0.000 0.432 497 E N -0.544 119.807 120.200 0.252 0.000 2.478 497 E HA -0.110 4.241 4.350 0.001 0.000 0.198 497 E C 1.115 177.814 176.600 0.165 0.000 1.046 497 E CA 0.688 57.197 56.400 0.180 0.000 0.870 497 E CB -0.115 29.650 29.700 0.109 0.000 0.818 497 E HN 0.499 nan 8.360 nan 0.000 0.527 498 D N -0.822 119.679 120.400 0.168 0.000 2.350 498 D HA -0.020 4.620 4.640 0.001 0.000 0.213 498 D C -0.343 175.958 176.300 0.001 0.000 1.031 498 D CA 0.122 54.165 54.000 0.072 0.000 0.861 498 D CB 0.038 40.874 40.800 0.060 0.000 0.926 498 D HN 0.180 nan 8.370 nan 0.000 0.520 499 Y N 1.637 122.005 120.300 0.114 0.000 2.480 499 Y HA 0.139 4.690 4.550 0.001 0.000 0.338 499 Y C 1.095 177.055 175.900 0.100 0.000 1.220 499 Y CA 0.499 58.673 58.100 0.122 0.000 1.430 499 Y CB 0.622 39.173 38.460 0.152 0.000 1.311 499 Y HN -0.227 nan 8.280 nan 0.000 0.575 500 E N 0.931 121.285 120.200 0.255 0.000 2.343 500 E HA 0.087 4.438 4.350 0.001 0.000 0.270 500 E C 0.457 177.136 176.600 0.133 0.000 0.895 500 E CA -0.794 55.693 56.400 0.144 0.000 0.767 500 E CB 1.722 31.476 29.700 0.089 0.000 1.248 500 E HN 0.622 nan 8.360 nan 0.000 0.440 501 E N 1.796 122.026 120.200 0.050 0.000 2.130 501 E HA -0.175 4.176 4.350 0.001 0.000 0.196 501 E C 1.597 178.229 176.600 0.054 0.000 0.998 501 E CA 1.695 58.100 56.400 0.008 0.000 0.806 501 E CB -0.189 29.468 29.700 -0.072 0.000 0.738 501 E HN 0.814 nan 8.360 nan 0.000 0.459 502 G N 0.806 109.641 108.800 0.059 0.000 2.470 502 G HA2 -0.231 3.730 3.960 0.001 0.000 0.220 502 G HA3 -0.231 3.730 3.960 0.001 0.000 0.220 502 G C 1.122 176.071 174.900 0.081 0.000 1.121 502 G CA 0.830 45.968 45.100 0.063 0.000 0.766 502 G HN 0.250 nan 8.290 nan 0.000 0.553 503 D N 0.081 120.558 120.400 0.127 0.000 2.312 503 D HA 0.026 4.667 4.640 0.001 0.000 0.211 503 D C 1.534 177.915 176.300 0.135 0.000 0.964 503 D CA 0.600 54.715 54.000 0.191 0.000 0.877 503 D CB 0.020 41.034 40.800 0.356 0.000 0.924 503 D HN 0.532 nan 8.370 nan 0.000 0.515 504 M N -0.798 118.803 119.600 0.002 0.000 2.591 504 M HA 0.689 5.169 4.480 0.001 0.000 0.306 504 M C -1.244 174.991 176.300 -0.110 0.000 1.190 504 M CA -0.845 54.305 55.300 -0.249 0.000 0.889 504 M CB 3.335 35.553 32.600 -0.636 0.000 1.728 504 M HN -0.392 nan 8.290 nan 0.000 0.458 505 E N 1.238 121.329 120.200 -0.181 0.000 2.272 505 E HA 0.588 4.939 4.350 0.001 0.000 0.269 505 E C -1.979 174.490 176.600 -0.219 0.000 0.877 505 E CA -0.674 55.656 56.400 -0.116 0.000 0.755 505 E CB 2.621 32.284 29.700 -0.062 0.000 1.192 505 E HN 0.630 nan 8.360 nan 0.000 0.422 506 V N 6.155 125.906 119.914 -0.272 0.000 2.318 506 V HA 0.325 4.445 4.120 0.001 0.000 0.271 506 V C 0.100 176.101 176.094 -0.155 0.000 1.030 506 V CA -0.659 61.408 62.300 -0.388 0.000 0.844 506 V CB 0.544 31.903 31.823 -0.773 0.000 1.015 506 V HN 0.592 nan 8.190 nan 0.000 0.460 507 I N 1.804 122.337 120.570 -0.062 0.000 2.607 507 I HA 0.586 4.757 4.170 0.001 0.000 0.305 507 I C 0.166 176.356 176.117 0.123 0.000 0.995 507 I CA -0.373 60.946 61.300 0.032 0.000 1.148 507 I CB 1.758 39.773 38.000 0.026 0.000 1.323 507 I HN 0.675 nan 8.210 nan 0.000 0.461 508 D N 2.357 122.830 120.400 0.121 0.000 2.800 508 D HA -0.281 4.359 4.640 0.001 0.000 0.232 508 D C -0.807 175.618 176.300 0.208 0.000 1.137 508 D CA 0.855 54.949 54.000 0.157 0.000 0.718 508 D CB -1.636 39.292 40.800 0.214 0.000 1.084 508 D HN 0.667 nan 8.370 nan 0.000 0.432 509 Y N 0.888 121.193 120.300 0.008 0.000 2.425 509 Y HA 0.451 5.001 4.550 0.001 0.000 0.347 509 Y C 0.085 175.985 175.900 -0.000 0.000 0.976 509 Y CA -1.248 56.847 58.100 -0.009 0.000 1.190 509 Y CB 0.810 39.239 38.460 -0.052 0.000 1.136 509 Y HN 0.105 nan 8.280 nan 0.000 0.517 510 A N 9.319 132.032 122.820 -0.178 0.000 3.165 510 A HA 0.439 4.760 4.320 0.001 0.000 0.331 510 A C -2.714 174.642 177.584 -0.380 0.000 1.034 510 A CA -1.350 50.538 52.037 -0.248 0.000 0.906 510 A CB -0.555 18.379 19.000 -0.111 0.000 1.054 510 A HN 0.526 nan 8.150 nan 0.000 0.484 511 P HA 0.258 nan 4.420 nan 0.000 0.276 511 P C -0.591 176.579 177.300 -0.216 0.000 1.252 511 P CA -0.153 62.713 63.100 -0.390 0.000 0.802 511 P CB 0.623 32.016 31.700 -0.511 0.000 1.035 512 Y N 0.364 120.615 120.300 -0.082 0.000 2.357 512 Y HA 0.169 4.719 4.550 0.001 0.000 0.340 512 Y C -1.156 174.727 175.900 -0.028 0.000 1.260 512 Y CA -0.961 57.118 58.100 -0.033 0.000 1.425 512 Y CB -1.035 37.423 38.460 -0.003 0.000 1.326 512 Y HN 0.360 nan 8.280 nan 0.000 0.580 513 P HA 0.102 nan 4.420 nan 0.000 0.274 513 P C -2.570 174.786 177.300 0.092 0.000 1.260 513 P CA -0.931 62.222 63.100 0.088 0.000 0.793 513 P CB -0.146 31.601 31.700 0.077 0.000 1.048 514 P HA 0.405 nan 4.420 nan 0.000 0.287 514 P C -1.927 175.396 177.300 0.038 0.000 1.270 514 P CA -0.604 62.524 63.100 0.048 0.000 0.844 514 P CB 2.234 33.954 31.700 0.034 0.000 1.068 515 I N 0.000 120.588 120.570 0.029 0.000 2.984 515 I HA 0.000 4.171 4.170 0.001 0.000 0.288 515 I CA 0.000 61.313 61.300 0.021 0.000 1.566 515 I CB 0.000 38.012 38.000 0.019 0.000 1.214 515 I HN 0.000 nan 8.210 nan 0.000 0.494