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 2whi_1_E DATA FIRST_RESID 3 DATA SEQUENCE EKTPDDVFKL AKDEKVEYVD VRFCDLPGIM QHFTIPASAF DKSVFDDGLA DATA SEQUENCE FDGSSIRGFQ SIHESDMLLL PDPETARIDP FRAAKTLNIN FFVHDPFTLE DATA SEQUENCE PYSRDPRNIA RKAENYLIST GIADTAYFGA EAEFYIFDSV SFDSRANGSF DATA SEQUENCE YEVDAISGWW NTGAATEADG SPNRGYKVRH KGGYFPVAPN DQYVDLRDKM DATA SEQUENCE LTNLINSGFI LEKGHHEVGS GGQAEINYQF NSLLHAADDM QLYKYIIKNT DATA SEQUENCE AWQNGKTVTF MPKPLFGDNG SGMHCHQSLW KDGAPLMYDE TGYAGLSDTA DATA SEQUENCE RHYIGGLLHH APSLLAFTNP TVNSYKRLVP GYEAPINLVY SQRNRSACVR DATA SEQUENCE IPITGSNPKA KRLEFRSPDS SGNPYLAFSA MLMAGLDGIK NKIEPQAPVD DATA SEQUENCE KDLYELPPEE AASIPQTPTQ LSDVIDRLEA DHEYLTEGGV FTNDLIETWI DATA SEQUENCE SFKRENEIEP VNIRPHPYEF ALYYDV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.606 176.600 0.009 0.000 1.382 3 E CA 0.000 56.417 56.400 0.028 0.000 0.976 3 E CB 0.000 29.713 29.700 0.023 0.000 0.812 4 K N 2.099 122.500 120.400 0.002 0.000 2.414 4 K HA 0.167 4.487 4.320 -0.000 0.000 0.272 4 K C 0.499 177.092 176.600 -0.011 0.000 0.993 4 K CA 0.719 56.999 56.287 -0.011 0.000 0.964 4 K CB 0.652 33.141 32.500 -0.018 0.000 0.925 4 K HN 0.134 nan 8.250 nan 0.000 0.487 5 T N -0.671 113.859 114.554 -0.040 0.000 2.950 5 T HA 0.285 4.635 4.350 -0.000 0.000 0.288 5 T C -2.094 172.502 174.700 -0.174 0.000 1.035 5 T CA -2.180 59.873 62.100 -0.078 0.000 1.028 5 T CB 1.695 70.519 68.868 -0.073 0.000 1.109 5 T HN 0.177 nan 8.240 nan 0.000 0.514 6 P HA -0.100 nan 4.420 nan 0.000 0.216 6 P C 0.865 177.788 177.300 -0.627 0.000 1.157 6 P CA 1.184 63.748 63.100 -0.892 0.000 0.880 6 P CB -0.024 30.955 31.700 -1.201 0.000 0.791 7 D N -1.265 118.998 120.400 -0.230 0.000 2.178 7 D HA -0.127 4.513 4.640 -0.000 0.000 0.202 7 D C 1.544 177.848 176.300 0.006 0.000 0.974 7 D CA 0.904 54.913 54.000 0.016 0.000 0.841 7 D CB -0.730 40.083 40.800 0.021 0.000 0.953 7 D HN 0.149 nan 8.370 nan 0.000 0.478 8 D N -0.208 120.160 120.400 -0.052 0.000 2.117 8 D HA -0.103 4.536 4.640 -0.000 0.000 0.197 8 D C 2.202 178.498 176.300 -0.007 0.000 0.987 8 D CA 0.551 54.538 54.000 -0.022 0.000 0.829 8 D CB -0.124 40.656 40.800 -0.032 0.000 0.961 8 D HN 0.110 nan 8.370 nan 0.000 0.460 9 V N 0.718 120.596 119.914 -0.061 0.000 2.379 9 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 9 V C 2.177 178.333 176.094 0.104 0.000 1.044 9 V CA 1.073 63.373 62.300 -0.001 0.000 1.036 9 V CB -0.575 31.268 31.823 0.033 0.000 0.664 9 V HN 0.020 nan 8.190 nan 0.000 0.453 10 F N 0.859 120.888 119.950 0.132 0.000 2.126 10 F HA -0.147 4.379 4.527 -0.000 0.000 0.299 10 F C 2.394 178.242 175.800 0.080 0.000 1.096 10 F CA 1.777 59.842 58.000 0.109 0.000 1.255 10 F CB -0.667 38.308 39.000 -0.042 0.000 0.997 10 F HN 0.086 nan 8.300 nan 0.000 0.479 11 K N 0.321 120.851 120.400 0.217 0.000 2.025 11 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 11 K C 2.175 178.836 176.600 0.100 0.000 1.049 11 K CA 1.150 57.511 56.287 0.123 0.000 0.933 11 K CB -0.482 32.062 32.500 0.074 0.000 0.714 11 K HN 0.201 nan 8.250 nan 0.000 0.438 12 L N 1.167 122.444 121.223 0.090 0.000 2.042 12 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 12 L C 2.202 179.121 176.870 0.081 0.000 1.076 12 L CA 2.171 57.050 54.840 0.065 0.000 0.749 12 L CB -0.728 41.356 42.059 0.042 0.000 0.893 12 L HN 0.234 nan 8.230 nan 0.000 0.432 13 A N -0.777 122.127 122.820 0.140 0.000 1.902 13 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 13 A C 2.472 180.129 177.584 0.122 0.000 1.181 13 A CA 1.968 54.095 52.037 0.150 0.000 0.623 13 A CB -0.599 18.575 19.000 0.290 0.000 0.818 13 A HN 0.507 nan 8.150 nan 0.000 0.443 14 K N -0.572 119.907 120.400 0.132 0.000 2.025 14 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 14 K C 1.364 177.996 176.600 0.053 0.000 1.049 14 K CA 1.610 57.948 56.287 0.085 0.000 0.933 14 K CB -0.184 32.364 32.500 0.079 0.000 0.714 14 K HN 0.370 nan 8.250 nan 0.000 0.438 15 D N 0.826 121.256 120.400 0.050 0.000 2.144 15 D HA -0.132 4.507 4.640 -0.000 0.000 0.199 15 D C 1.500 177.815 176.300 0.024 0.000 0.984 15 D CA 1.000 55.019 54.000 0.032 0.000 0.834 15 D CB 0.002 40.818 40.800 0.028 0.000 0.955 15 D HN 0.237 nan 8.370 nan 0.000 0.465 16 E N 0.547 120.764 120.200 0.028 0.000 2.502 16 E HA -0.015 4.334 4.350 -0.000 0.000 0.194 16 E C 0.055 176.664 176.600 0.015 0.000 1.062 16 E CA 0.041 56.452 56.400 0.018 0.000 0.867 16 E CB 0.145 29.854 29.700 0.014 0.000 0.888 16 E HN 0.354 nan 8.360 nan 0.000 0.510 17 K N 0.333 120.745 120.400 0.020 0.000 3.257 17 K HA -0.151 4.168 4.320 -0.000 0.000 0.270 17 K C -0.269 176.331 176.600 0.000 0.000 0.984 17 K CA 0.122 56.416 56.287 0.011 0.000 0.739 17 K CB -2.057 30.447 32.500 0.005 0.000 1.351 17 K HN -0.045 nan 8.250 nan 0.000 0.463 18 V N 1.500 121.419 119.914 0.009 0.000 2.585 18 V HA -0.073 4.047 4.120 -0.000 0.000 0.296 18 V C 1.734 177.791 176.094 -0.062 0.000 1.035 18 V CA 0.659 62.954 62.300 -0.007 0.000 1.084 18 V CB 1.111 32.940 31.823 0.011 0.000 0.953 18 V HN 0.382 nan 8.190 nan 0.000 0.483 19 E N 3.060 123.183 120.200 -0.128 0.000 2.216 19 E HA 0.102 4.451 4.350 -0.000 0.000 0.192 19 E C -0.820 175.377 176.600 -0.672 0.000 0.973 19 E CA 0.696 56.862 56.400 -0.390 0.000 0.851 19 E CB 0.423 29.864 29.700 -0.431 0.000 0.804 19 E HN 0.706 nan 8.360 nan 0.000 0.477 20 Y N -0.755 119.556 120.300 0.018 0.000 2.553 20 Y HA 0.406 4.955 4.550 -0.000 0.000 0.347 20 Y C -0.546 175.322 175.900 -0.054 0.000 1.019 20 Y CA -1.172 56.930 58.100 0.003 0.000 1.032 20 Y CB 1.680 40.147 38.460 0.012 0.000 1.284 20 Y HN -0.347 nan 8.280 nan 0.000 0.466 21 V N 1.674 121.636 119.914 0.079 0.000 2.448 21 V HA 0.283 4.403 4.120 -0.000 0.000 0.295 21 V C -1.081 174.951 176.094 -0.103 0.000 1.025 21 V CA -0.806 61.424 62.300 -0.116 0.000 0.859 21 V CB 1.665 33.267 31.823 -0.369 0.000 0.988 21 V HN 0.708 nan 8.190 nan 0.000 0.431 22 D N 3.439 123.762 120.400 -0.129 0.000 2.359 22 D HA 0.402 5.042 4.640 -0.000 0.000 0.230 22 D C -0.444 175.701 176.300 -0.259 0.000 1.118 22 D CA -0.088 53.818 54.000 -0.157 0.000 0.844 22 D CB 1.492 42.237 40.800 -0.092 0.000 1.059 22 D HN 0.296 nan 8.370 nan 0.000 0.493 23 V N 5.596 125.202 119.914 -0.512 0.000 2.408 23 V HA 0.349 4.469 4.120 -0.000 0.000 0.267 23 V C 0.559 176.312 176.094 -0.569 0.000 1.047 23 V CA -0.191 61.653 62.300 -0.761 0.000 0.937 23 V CB 0.556 31.453 31.823 -1.544 0.000 0.999 23 V HN 0.450 nan 8.190 nan 0.000 0.472 24 R N 4.974 125.321 120.500 -0.254 0.000 2.740 24 R HA 0.816 5.156 4.340 -0.000 0.000 0.282 24 R C -1.034 175.271 176.300 0.008 0.000 0.969 24 R CA -0.510 55.483 56.100 -0.178 0.000 0.918 24 R CB 2.435 32.624 30.300 -0.184 0.000 1.175 24 R HN 0.699 nan 8.270 nan 0.000 0.464 25 F N -1.789 118.044 119.950 -0.194 0.000 2.711 25 F HA 0.565 5.091 4.527 -0.000 0.000 0.313 25 F C -1.188 174.527 175.800 -0.142 0.000 1.141 25 F CA -1.375 56.528 58.000 -0.163 0.000 0.941 25 F CB 0.895 39.791 39.000 -0.174 0.000 1.349 25 F HN 0.446 nan 8.300 nan 0.000 0.464 26 C N 3.107 122.437 119.300 0.050 0.000 2.319 26 C HA 0.572 5.031 4.460 -0.000 0.000 0.335 26 C C -0.266 174.774 174.990 0.083 0.000 1.274 26 C CA -0.397 58.610 59.018 -0.020 0.000 1.806 26 C CB -0.436 27.284 27.740 -0.033 0.000 2.329 26 C HN 0.920 nan 8.230 nan 0.000 0.524 27 D N 3.587 123.928 120.400 -0.100 0.000 2.398 27 D HA 0.062 4.702 4.640 -0.000 0.000 0.247 27 D C 0.895 177.234 176.300 0.065 0.000 1.227 27 D CA -0.629 53.267 54.000 -0.173 0.000 0.980 27 D CB 0.379 40.994 40.800 -0.308 0.000 1.106 27 D HN 0.353 nan 8.370 nan 0.000 0.493 28 L N 0.285 121.574 121.223 0.110 0.000 2.005 28 L HA 0.045 4.385 4.340 -0.000 0.000 0.207 28 L C -0.972 176.052 176.870 0.256 0.000 1.072 28 L CA 1.580 56.566 54.840 0.243 0.000 0.744 28 L CB -1.505 40.722 42.059 0.280 0.000 0.895 28 L HN 0.407 nan 8.230 nan 0.000 0.433 29 P HA -0.021 nan 4.420 nan 0.000 0.216 29 P C 0.528 177.929 177.300 0.169 0.000 1.150 29 P CA 1.946 65.053 63.100 0.013 0.000 0.837 29 P CB -0.022 31.541 31.700 -0.230 0.000 0.786 30 G N -3.053 105.804 108.800 0.095 0.000 2.215 30 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.187 30 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.187 30 G C -0.293 174.622 174.900 0.025 0.000 1.039 30 G CA -0.624 44.535 45.100 0.098 0.000 0.771 30 G HN 0.064 nan 8.290 nan 0.000 0.507 31 I N 2.064 122.619 120.570 -0.026 0.000 2.359 31 I HA 0.467 4.637 4.170 -0.000 0.000 0.294 31 I C 0.662 176.701 176.117 -0.129 0.000 0.987 31 I CA -0.814 60.444 61.300 -0.070 0.000 1.225 31 I CB 1.304 39.258 38.000 -0.077 0.000 1.366 31 I HN -0.017 nan 8.210 nan 0.000 0.466 32 M N 5.445 124.960 119.600 -0.142 0.000 2.228 32 M HA 0.182 4.662 4.480 -0.000 0.000 0.351 32 M C 0.119 176.228 176.300 -0.319 0.000 1.233 32 M CA -0.066 55.097 55.300 -0.228 0.000 1.129 32 M CB 0.330 32.808 32.600 -0.203 0.000 1.604 32 M HN 0.400 nan 8.290 nan 0.000 0.457 33 Q N 2.274 121.745 119.800 -0.549 0.000 2.301 33 Q HA 0.602 4.942 4.340 -0.000 0.000 0.267 33 Q C -0.747 174.946 176.000 -0.511 0.000 1.035 33 Q CA -0.498 54.925 55.803 -0.634 0.000 0.856 33 Q CB 2.267 30.278 28.738 -1.212 0.000 1.337 33 Q HN 0.882 nan 8.270 nan 0.000 0.450 34 H N -1.233 117.587 119.070 -0.417 0.000 3.046 34 H HA 0.739 5.295 4.556 -0.000 0.000 0.361 34 H C -1.365 173.920 175.328 -0.072 0.000 1.235 34 H CA -0.966 54.899 56.048 -0.306 0.000 1.146 34 H CB 1.175 30.760 29.762 -0.295 0.000 1.859 34 H HN 0.493 nan 8.280 nan 0.000 0.548 35 F N -0.771 118.986 119.950 -0.322 0.000 2.643 35 F HA 0.772 5.299 4.527 -0.000 0.000 0.314 35 F C -1.441 174.257 175.800 -0.171 0.000 1.096 35 F CA -1.048 56.752 58.000 -0.333 0.000 0.953 35 F CB 1.824 40.700 39.000 -0.206 0.000 1.345 35 F HN 0.611 nan 8.300 nan 0.000 0.468 36 T N 3.106 117.681 114.554 0.034 0.000 2.823 36 T HA 0.684 5.034 4.350 -0.000 0.000 0.279 36 T C -0.421 174.357 174.700 0.130 0.000 0.998 36 T CA -0.499 61.600 62.100 -0.001 0.000 0.994 36 T CB 1.304 70.144 68.868 -0.048 0.000 0.960 36 T HN 0.763 nan 8.240 nan 0.000 0.448 37 I N 1.080 121.725 120.570 0.125 0.000 2.603 37 I HA 0.746 4.915 4.170 -0.000 0.000 0.300 37 I C -2.756 173.530 176.117 0.281 0.000 1.017 37 I CA -3.219 58.205 61.300 0.208 0.000 1.098 37 I CB 2.248 40.374 38.000 0.211 0.000 1.279 37 I HN 0.301 nan 8.210 nan 0.000 0.437 38 P HA 0.117 nan 4.420 nan 0.000 0.274 38 P C 0.447 177.832 177.300 0.142 0.000 1.237 38 P CA -0.196 63.050 63.100 0.243 0.000 0.793 38 P CB 1.227 33.036 31.700 0.181 0.000 0.977 39 A N 2.366 125.199 122.820 0.023 0.000 1.948 39 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 39 A C 2.249 179.933 177.584 0.166 0.000 1.177 39 A CA 2.532 54.629 52.037 0.100 0.000 0.636 39 A CB -1.872 17.137 19.000 0.014 0.000 0.815 39 A HN 0.682 nan 8.150 nan 0.000 0.449 40 S N -0.277 115.481 115.700 0.095 0.000 2.442 40 S HA 0.106 4.576 4.470 -0.000 0.000 0.236 40 S C 1.682 176.355 174.600 0.122 0.000 1.007 40 S CA 1.164 59.417 58.200 0.088 0.000 0.965 40 S CB -0.431 62.801 63.200 0.053 0.000 0.773 40 S HN 0.981 nan 8.310 nan 0.000 0.504 41 A N -0.009 122.914 122.820 0.172 0.000 2.275 41 A HA 0.446 4.766 4.320 -0.000 0.000 0.212 41 A C 0.396 178.156 177.584 0.293 0.000 1.201 41 A CA -0.400 51.752 52.037 0.192 0.000 0.843 41 A CB -0.423 18.687 19.000 0.184 0.000 0.873 41 A HN 0.511 nan 8.150 nan 0.000 0.492 42 F N 2.791 122.841 119.950 0.167 0.000 2.406 42 F HA 0.451 4.978 4.527 -0.000 0.000 0.358 42 F C -0.397 175.615 175.800 0.353 0.000 1.161 42 F CA -1.885 56.275 58.000 0.265 0.000 1.185 42 F CB -0.099 39.062 39.000 0.267 0.000 1.421 42 F HN 0.346 nan 8.300 nan 0.000 0.576 43 D N 2.721 123.149 120.400 0.047 0.000 2.758 43 D HA 0.289 4.929 4.640 -0.000 0.000 0.279 43 D C 0.602 176.999 176.300 0.162 0.000 1.111 43 D CA -0.745 53.217 54.000 -0.064 0.000 1.109 43 D CB 0.736 41.504 40.800 -0.053 0.000 1.428 43 D HN 0.185 nan 8.370 nan 0.000 0.586 44 K N -0.486 119.950 120.400 0.060 0.000 2.209 44 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 44 K C 1.771 178.505 176.600 0.223 0.000 1.048 44 K CA 1.137 57.548 56.287 0.207 0.000 0.940 44 K CB -0.175 32.344 32.500 0.032 0.000 0.729 44 K HN 0.331 nan 8.250 nan 0.000 0.451 45 S N 0.712 116.496 115.700 0.140 0.000 2.399 45 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 45 S C 1.928 176.620 174.600 0.154 0.000 1.022 45 S CA 0.863 59.136 58.200 0.122 0.000 0.983 45 S CB -0.106 63.144 63.200 0.084 0.000 0.803 45 S HN 0.072 nan 8.310 nan 0.000 0.480 46 V N 0.864 120.895 119.914 0.197 0.000 2.407 46 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 46 V C 1.990 178.122 176.094 0.063 0.000 1.055 46 V CA 1.900 64.305 62.300 0.175 0.000 1.049 46 V CB -0.857 31.108 31.823 0.238 0.000 0.662 46 V HN 0.521 nan 8.190 nan 0.000 0.455 47 F N 0.076 120.072 119.950 0.077 0.000 2.234 47 F HA -0.036 4.491 4.527 -0.000 0.000 0.296 47 F C 2.237 178.046 175.800 0.015 0.000 1.089 47 F CA 1.302 59.315 58.000 0.022 0.000 1.343 47 F CB -0.311 38.682 39.000 -0.010 0.000 1.040 47 F HN 0.187 nan 8.300 nan 0.000 0.498 48 D N -0.307 120.212 120.400 0.198 0.000 2.149 48 D HA -0.089 4.551 4.640 -0.000 0.000 0.206 48 D C 1.542 177.877 176.300 0.058 0.000 0.967 48 D CA 1.320 55.384 54.000 0.106 0.000 0.848 48 D CB -0.232 40.620 40.800 0.087 0.000 0.998 48 D HN 0.233 nan 8.370 nan 0.000 0.474 49 D N -0.551 119.887 120.400 0.064 0.000 2.380 49 D HA 0.229 4.869 4.640 -0.000 0.000 0.212 49 D C 1.393 177.716 176.300 0.038 0.000 1.021 49 D CA 0.893 54.916 54.000 0.038 0.000 0.884 49 D CB 1.301 42.125 40.800 0.041 0.000 1.001 49 D HN 0.223 nan 8.370 nan 0.000 0.506 50 G N 0.610 109.454 108.800 0.073 0.000 2.698 50 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.225 50 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.225 50 G C -0.976 174.003 174.900 0.132 0.000 1.345 50 G CA -0.559 44.609 45.100 0.112 0.000 0.871 50 G HN 0.183 nan 8.290 nan 0.000 0.540 51 L N -0.307 121.012 121.223 0.160 0.000 2.393 51 L HA 0.812 5.152 4.340 -0.000 0.000 0.260 51 L C 0.656 177.606 176.870 0.133 0.000 1.002 51 L CA -0.584 54.350 54.840 0.156 0.000 0.818 51 L CB 2.171 44.379 42.059 0.248 0.000 1.369 51 L HN 1.388 nan 8.230 nan 0.000 0.412 52 A N 1.508 124.361 122.820 0.054 0.000 2.282 52 A HA 0.936 5.256 4.320 -0.000 0.000 0.319 52 A C -0.959 176.638 177.584 0.022 0.000 1.121 52 A CA -0.281 51.748 52.037 -0.012 0.000 0.836 52 A CB 0.967 19.902 19.000 -0.108 0.000 1.146 52 A HN 0.641 nan 8.150 nan 0.000 0.494 53 F N -0.958 118.873 119.950 -0.197 0.000 2.745 53 F HA 0.633 5.160 4.527 -0.000 0.000 0.316 53 F C -1.033 174.690 175.800 -0.128 0.000 1.155 53 F CA -1.187 56.697 58.000 -0.193 0.000 0.937 53 F CB 1.203 40.137 39.000 -0.110 0.000 1.361 53 F HN 0.416 nan 8.300 nan 0.000 0.472 54 D N 0.902 121.280 120.400 -0.037 0.000 2.441 54 D HA 0.299 4.939 4.640 -0.000 0.000 0.221 54 D C 1.146 177.419 176.300 -0.045 0.000 1.156 54 D CA 0.075 54.010 54.000 -0.109 0.000 0.896 54 D CB 1.165 41.959 40.800 -0.010 0.000 1.028 54 D HN 0.866 nan 8.370 nan 0.000 0.509 55 G N 2.203 110.812 108.800 -0.319 0.000 2.509 55 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 55 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 55 G C 1.387 176.370 174.900 0.137 0.000 1.124 55 G CA 0.887 45.958 45.100 -0.049 0.000 0.776 55 G HN 0.536 nan 8.290 nan 0.000 0.547 56 S N -0.326 115.403 115.700 0.049 0.000 2.489 56 S HA 0.083 4.553 4.470 -0.000 0.000 0.228 56 S C 2.044 176.701 174.600 0.095 0.000 0.995 56 S CA 1.158 59.404 58.200 0.077 0.000 0.934 56 S CB 0.037 63.259 63.200 0.036 0.000 0.771 56 S HN 0.100 nan 8.310 nan 0.000 0.522 57 S N 1.032 116.792 115.700 0.099 0.000 2.575 57 S HA 0.391 4.861 4.470 -0.000 0.000 0.215 57 S C 0.225 174.871 174.600 0.076 0.000 0.966 57 S CA -0.219 58.032 58.200 0.084 0.000 0.911 57 S CB -0.112 63.131 63.200 0.072 0.000 0.780 57 S HN 0.439 nan 8.310 nan 0.000 0.514 58 I N 2.577 123.201 120.570 0.090 0.000 2.359 58 I HA 0.335 4.504 4.170 -0.000 0.000 0.294 58 I C 0.435 176.513 176.117 -0.066 0.000 0.987 58 I CA -0.650 60.611 61.300 -0.064 0.000 1.225 58 I CB 0.981 38.843 38.000 -0.231 0.000 1.366 58 I HN -0.052 nan 8.210 nan 0.000 0.466 59 R N 3.360 123.801 120.500 -0.098 0.000 2.489 59 R HA 0.326 4.666 4.340 -0.000 0.000 0.287 59 R C 1.097 177.405 176.300 0.013 0.000 1.053 59 R CA 0.728 56.822 56.100 -0.010 0.000 1.036 59 R CB 0.221 30.484 30.300 -0.061 0.000 0.966 59 R HN 0.990 nan 8.270 nan 0.000 0.432 60 G N 1.825 110.720 108.800 0.157 0.000 2.162 60 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 60 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 60 G C 0.024 175.248 174.900 0.541 0.000 0.976 60 G CA 0.066 45.331 45.100 0.275 0.000 0.655 60 G HN 0.460 nan 8.290 nan 0.000 0.533 61 F N 0.243 120.319 119.950 0.209 0.000 2.646 61 F HA 0.525 5.051 4.527 -0.000 0.000 0.180 61 F C 1.419 177.358 175.800 0.232 0.000 1.185 61 F CA -0.100 58.085 58.000 0.308 0.000 0.926 61 F CB -0.735 38.453 39.000 0.314 0.000 1.668 61 F HN 0.015 nan 8.300 nan 0.000 0.658 62 Q N 0.491 120.503 119.800 0.354 0.000 2.193 62 Q HA 0.348 4.687 4.340 -0.000 0.000 0.246 62 Q C -0.206 175.849 176.000 0.091 0.000 0.959 62 Q CA -0.462 55.424 55.803 0.138 0.000 0.904 62 Q CB 1.522 30.254 28.738 -0.009 0.000 1.238 62 Q HN 0.498 nan 8.270 nan 0.000 0.469 63 S N -0.634 115.068 115.700 0.003 0.000 2.669 63 S HA 0.305 4.774 4.470 -0.000 0.000 0.270 63 S C 1.184 175.760 174.600 -0.040 0.000 1.225 63 S CA -0.717 57.485 58.200 0.003 0.000 0.991 63 S CB 0.578 63.779 63.200 0.003 0.000 0.987 63 S HN 0.716 nan 8.310 nan 0.000 0.552 64 I N 1.192 121.803 120.570 0.069 0.000 2.361 64 I HA -0.211 3.958 4.170 -0.000 0.000 0.251 64 I C 2.307 178.466 176.117 0.070 0.000 1.133 64 I CA 1.474 62.817 61.300 0.071 0.000 1.413 64 I CB -0.212 37.846 38.000 0.098 0.000 1.073 64 I HN 0.882 nan 8.210 nan 0.000 0.424 65 H N -0.157 118.924 119.070 0.018 0.000 2.548 65 H HA 0.112 4.667 4.556 -0.000 0.000 0.268 65 H C 0.414 175.754 175.328 0.019 0.000 0.975 65 H CA 0.360 56.418 56.048 0.016 0.000 1.195 65 H CB -0.316 29.458 29.762 0.021 0.000 1.397 65 H HN 0.478 nan 8.280 nan 0.000 0.572 66 E N 1.370 121.369 120.200 -0.335 0.000 2.989 66 E HA 0.090 4.440 4.350 -0.000 0.000 0.207 66 E C 0.995 177.492 176.600 -0.172 0.000 0.989 66 E CA 0.082 56.350 56.400 -0.220 0.000 1.186 66 E CB 0.872 30.406 29.700 -0.276 0.000 1.141 66 E HN 0.461 nan 8.360 nan 0.000 0.454 67 S N -0.182 115.431 115.700 -0.144 0.000 2.345 67 S HA -0.124 4.346 4.470 -0.000 0.000 0.220 67 S C 0.767 175.203 174.600 -0.272 0.000 1.031 67 S CA 0.480 58.584 58.200 -0.160 0.000 0.996 67 S CB -0.309 62.829 63.200 -0.104 0.000 0.882 67 S HN 0.117 nan 8.310 nan 0.000 0.445 68 D N 2.554 122.791 120.400 -0.271 0.000 2.586 68 D HA 0.301 4.941 4.640 -0.000 0.000 0.234 68 D C 0.003 176.007 176.300 -0.493 0.000 1.132 68 D CA 0.941 54.720 54.000 -0.369 0.000 0.860 68 D CB 0.115 40.729 40.800 -0.310 0.000 1.159 68 D HN 0.208 nan 8.370 nan 0.000 0.490 69 M N 1.290 120.466 119.600 -0.707 0.000 2.691 69 M HA 0.519 4.999 4.480 -0.000 0.000 0.293 69 M C -0.850 175.165 176.300 -0.475 0.000 1.259 69 M CA -0.961 53.903 55.300 -0.727 0.000 0.827 69 M CB 1.771 33.720 32.600 -1.085 0.000 1.753 69 M HN 0.273 nan 8.290 nan 0.000 0.465 70 L N 1.108 122.214 121.223 -0.194 0.000 2.341 70 L HA 0.780 5.119 4.340 -0.000 0.000 0.267 70 L C -1.798 175.182 176.870 0.184 0.000 1.009 70 L CA -0.378 54.467 54.840 0.008 0.000 0.819 70 L CB 1.841 43.888 42.059 -0.020 0.000 1.323 70 L HN 0.632 nan 8.230 nan 0.000 0.425 71 L N 4.752 126.100 121.223 0.207 0.000 2.386 71 L HA 0.600 4.940 4.340 -0.000 0.000 0.271 71 L C -1.238 175.857 176.870 0.375 0.000 0.993 71 L CA -0.516 54.493 54.840 0.282 0.000 0.819 71 L CB 1.963 44.094 42.059 0.121 0.000 1.294 71 L HN 0.460 nan 8.230 nan 0.000 0.414 72 L N 4.385 125.846 121.223 0.396 0.000 2.385 72 L HA 0.566 4.905 4.340 -0.000 0.000 0.273 72 L C -2.310 174.487 176.870 -0.122 0.000 0.990 72 L CA -1.849 53.073 54.840 0.136 0.000 0.821 72 L CB 2.547 44.551 42.059 -0.091 0.000 1.279 72 L HN 0.301 nan 8.230 nan 0.000 0.412 73 P HA 0.021 nan 4.420 nan 0.000 0.272 73 P C -1.230 175.771 177.300 -0.497 0.000 1.223 73 P CA -0.136 62.145 63.100 -1.366 0.000 0.784 73 P CB 1.051 31.828 31.700 -1.539 0.000 0.923 74 D N 2.992 123.136 120.400 -0.427 0.000 2.472 74 D HA 0.183 4.823 4.640 -0.000 0.000 0.234 74 D C -1.480 174.773 176.300 -0.077 0.000 1.088 74 D CA -2.574 51.373 54.000 -0.089 0.000 0.882 74 D CB 0.798 41.532 40.800 -0.110 0.000 1.037 74 D HN 0.098 nan 8.370 nan 0.000 0.520 75 P HA -0.143 nan 4.420 nan 0.000 0.221 75 P C 0.869 178.174 177.300 0.009 0.000 1.145 75 P CA 0.777 63.913 63.100 0.060 0.000 0.795 75 P CB 0.533 32.304 31.700 0.117 0.000 0.775 76 E N -0.212 119.998 120.200 0.017 0.000 2.265 76 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 76 E C 1.530 178.094 176.600 -0.060 0.000 0.996 76 E CA 1.756 58.149 56.400 -0.012 0.000 0.832 76 E CB -0.645 29.088 29.700 0.056 0.000 0.756 76 E HN 0.443 nan 8.360 nan 0.000 0.491 77 T N -2.035 112.484 114.554 -0.059 0.000 3.105 77 T HA 0.425 4.775 4.350 -0.000 0.000 0.253 77 T C 0.624 175.271 174.700 -0.088 0.000 1.047 77 T CA -0.059 61.992 62.100 -0.081 0.000 0.944 77 T CB 0.318 69.137 68.868 -0.082 0.000 1.016 77 T HN 0.062 nan 8.240 nan 0.000 0.544 78 A N 2.498 125.272 122.820 -0.077 0.000 2.451 78 A HA 0.640 4.960 4.320 -0.000 0.000 0.266 78 A C 0.185 177.725 177.584 -0.073 0.000 1.119 78 A CA -0.505 51.489 52.037 -0.072 0.000 0.786 78 A CB 0.177 19.150 19.000 -0.046 0.000 1.061 78 A HN 0.399 nan 8.150 nan 0.000 0.503 79 R N 2.288 122.745 120.500 -0.072 0.000 2.698 79 R HA 0.379 4.719 4.340 -0.000 0.000 0.275 79 R C -0.974 175.297 176.300 -0.048 0.000 1.001 79 R CA -0.928 55.136 56.100 -0.059 0.000 0.896 79 R CB 1.133 31.401 30.300 -0.053 0.000 1.218 79 R HN 0.606 nan 8.270 nan 0.000 0.462 80 I N 1.807 122.355 120.570 -0.038 0.000 2.556 80 I HA 0.014 4.183 4.170 -0.000 0.000 0.284 80 I C 0.927 177.023 176.117 -0.034 0.000 1.114 80 I CA 0.055 61.335 61.300 -0.033 0.000 1.418 80 I CB 0.297 38.279 38.000 -0.030 0.000 1.394 80 I HN 0.405 nan 8.210 nan 0.000 0.552 81 D N 8.788 129.177 120.400 -0.019 0.000 2.383 81 D HA 0.109 4.749 4.640 -0.000 0.000 0.252 81 D C -1.679 174.556 176.300 -0.108 0.000 1.166 81 D CA -1.160 52.842 54.000 0.003 0.000 0.879 81 D CB 1.908 42.757 40.800 0.082 0.000 1.164 81 D HN 0.270 nan 8.370 nan 0.000 0.462 82 P HA 0.058 nan 4.420 nan 0.000 0.241 82 P C 0.475 177.439 177.300 -0.559 0.000 1.191 82 P CA 0.509 63.270 63.100 -0.566 0.000 0.771 82 P CB 0.114 31.275 31.700 -0.899 0.000 0.929 83 F N -0.866 119.104 119.950 0.033 0.000 2.553 83 F HA 0.262 4.789 4.527 -0.000 0.000 0.282 83 F C 1.274 177.093 175.800 0.033 0.000 1.089 83 F CA -0.281 57.727 58.000 0.014 0.000 1.411 83 F CB -0.548 38.435 39.000 -0.029 0.000 1.125 83 F HN -0.379 nan 8.300 nan 0.000 0.610 84 R N 0.842 121.464 120.500 0.203 0.000 2.389 84 R HA 0.384 4.724 4.340 -0.000 0.000 0.295 84 R C 1.257 177.623 176.300 0.111 0.000 1.075 84 R CA 0.302 56.490 56.100 0.148 0.000 1.005 84 R CB 0.936 31.317 30.300 0.136 0.000 0.987 84 R HN 0.188 nan 8.270 nan 0.000 0.452 85 A N 3.347 126.229 122.820 0.103 0.000 1.933 85 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 85 A C 1.013 178.655 177.584 0.096 0.000 1.175 85 A CA 1.494 53.583 52.037 0.087 0.000 0.628 85 A CB -0.134 18.913 19.000 0.079 0.000 0.814 85 A HN 0.730 nan 8.150 nan 0.000 0.444 86 A N 0.026 122.926 122.820 0.132 0.000 2.309 86 A HA 0.496 4.815 4.320 -0.000 0.000 0.290 86 A C 0.183 177.870 177.584 0.171 0.000 1.206 86 A CA -0.518 51.629 52.037 0.183 0.000 0.850 86 A CB 0.009 19.214 19.000 0.341 0.000 1.118 86 A HN 0.250 nan 8.150 nan 0.000 0.523 87 K N 2.094 122.556 120.400 0.104 0.000 2.453 87 K HA 0.192 4.511 4.320 -0.000 0.000 0.280 87 K C -0.371 176.281 176.600 0.087 0.000 1.045 87 K CA 1.055 57.383 56.287 0.067 0.000 1.059 87 K CB -0.119 32.397 32.500 0.027 0.000 0.901 87 K HN 0.642 nan 8.250 nan 0.000 0.475 88 T N 4.841 119.442 114.554 0.078 0.000 2.861 88 T HA 0.408 4.758 4.350 -0.000 0.000 0.287 88 T C -1.350 173.356 174.700 0.011 0.000 1.003 88 T CA -0.745 61.402 62.100 0.078 0.000 0.977 88 T CB 1.056 69.989 68.868 0.108 0.000 0.996 88 T HN 0.417 nan 8.240 nan 0.000 0.448 89 L N 3.893 125.096 121.223 -0.032 0.000 2.287 89 L HA 0.560 4.900 4.340 -0.000 0.000 0.287 89 L C -0.726 176.074 176.870 -0.118 0.000 1.022 89 L CA -0.469 54.322 54.840 -0.082 0.000 0.814 89 L CB 0.791 42.776 42.059 -0.123 0.000 1.217 89 L HN 0.443 nan 8.230 nan 0.000 0.420 90 N N 6.338 124.976 118.700 -0.104 0.000 2.455 90 N HA 0.551 5.290 4.740 -0.000 0.000 0.280 90 N C -0.988 174.456 175.510 -0.111 0.000 1.055 90 N CA -0.011 52.964 53.050 -0.125 0.000 0.961 90 N CB 1.642 40.040 38.487 -0.148 0.000 1.121 90 N HN 0.536 nan 8.380 nan 0.000 0.476 91 I N 1.409 121.934 120.570 -0.074 0.000 2.533 91 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 91 I C -0.443 175.721 176.117 0.079 0.000 1.056 91 I CA -0.959 60.322 61.300 -0.032 0.000 1.057 91 I CB 1.830 39.795 38.000 -0.059 0.000 1.240 91 I HN 0.182 nan 8.210 nan 0.000 0.423 92 N N 4.676 123.364 118.700 -0.019 0.000 2.530 92 N HA 0.537 5.277 4.740 -0.000 0.000 0.277 92 N C -1.145 174.349 175.510 -0.027 0.000 1.168 92 N CA 0.128 53.183 53.050 0.008 0.000 0.979 92 N CB 0.791 39.213 38.487 -0.109 0.000 1.141 92 N HN 0.327 nan 8.380 nan 0.000 0.459 93 F N 0.395 120.222 119.950 -0.205 0.000 2.561 93 F HA 0.492 5.018 4.527 -0.000 0.000 0.321 93 F C -0.131 175.527 175.800 -0.237 0.000 1.065 93 F CA -1.009 56.894 58.000 -0.163 0.000 0.934 93 F CB 1.261 40.223 39.000 -0.063 0.000 1.215 93 F HN 0.230 nan 8.300 nan 0.000 0.471 94 F N 1.427 121.489 119.950 0.187 0.000 2.385 94 F HA 0.490 5.016 4.527 -0.000 0.000 0.336 94 F C -0.046 175.889 175.800 0.225 0.000 1.100 94 F CA -0.919 57.171 58.000 0.151 0.000 1.116 94 F CB 1.079 40.177 39.000 0.163 0.000 1.166 94 F HN -0.068 nan 8.300 nan 0.000 0.511 95 V N 3.766 123.843 119.914 0.272 0.000 2.498 95 V HA 0.240 4.360 4.120 -0.000 0.000 0.279 95 V C -0.011 176.107 176.094 0.040 0.000 1.048 95 V CA -0.442 61.957 62.300 0.165 0.000 0.967 95 V CB 0.423 32.304 31.823 0.096 0.000 0.988 95 V HN 0.675 nan 8.190 nan 0.000 0.473 96 H N 1.875 120.961 119.070 0.025 0.000 2.821 96 H HA 0.290 4.846 4.556 -0.000 0.000 0.373 96 H C -0.725 174.539 175.328 -0.106 0.000 1.165 96 H CA -0.779 55.266 56.048 -0.005 0.000 1.154 96 H CB 2.356 32.128 29.762 0.017 0.000 1.765 96 H HN 0.691 nan 8.280 nan 0.000 0.549 97 D N 2.813 123.232 120.400 0.032 0.000 2.425 97 D HA -0.015 4.625 4.640 -0.000 0.000 0.247 97 D C -1.608 174.659 176.300 -0.054 0.000 1.147 97 D CA -1.159 52.822 54.000 -0.032 0.000 0.879 97 D CB 1.595 42.427 40.800 0.054 0.000 1.179 97 D HN 0.283 nan 8.370 nan 0.000 0.456 98 P HA -0.043 nan 4.420 nan 0.000 0.233 98 P C 0.976 178.074 177.300 -0.336 0.000 1.167 98 P CA 0.596 63.507 63.100 -0.314 0.000 0.770 98 P CB 0.120 31.514 31.700 -0.510 0.000 0.837 99 F N 0.827 120.756 119.950 -0.035 0.000 2.243 99 F HA 0.016 4.542 4.527 -0.000 0.000 0.287 99 F C 2.556 178.352 175.800 -0.008 0.000 1.067 99 F CA 1.861 59.848 58.000 -0.022 0.000 1.304 99 F CB -1.565 37.421 39.000 -0.023 0.000 1.087 99 F HN -0.093 nan 8.300 nan 0.000 0.513 100 T N -2.159 112.518 114.554 0.204 0.000 3.065 100 T HA 0.139 4.489 4.350 -0.000 0.000 0.252 100 T C 1.155 175.909 174.700 0.091 0.000 1.099 100 T CA 0.413 62.586 62.100 0.122 0.000 1.063 100 T CB -0.491 68.437 68.868 0.100 0.000 0.948 100 T HN 0.270 nan 8.240 nan 0.000 0.506 101 L N -0.701 120.576 121.223 0.090 0.000 4.625 101 L HA -0.156 4.184 4.340 -0.000 0.000 0.428 101 L C -0.060 176.942 176.870 0.220 0.000 1.129 101 L CA 0.477 55.380 54.840 0.105 0.000 0.978 101 L CB -2.079 39.999 42.059 0.031 0.000 2.043 101 L HN 0.362 nan 8.230 nan 0.000 0.847 102 E N 1.046 121.339 120.200 0.154 0.000 2.383 102 E HA 0.256 4.606 4.350 -0.000 0.000 0.264 102 E C -1.936 174.689 176.600 0.041 0.000 1.050 102 E CA -1.713 54.754 56.400 0.111 0.000 0.896 102 E CB 0.427 30.157 29.700 0.050 0.000 0.982 102 E HN 0.004 nan 8.360 nan 0.000 0.424 103 P HA -0.079 nan 4.420 nan 0.000 0.266 103 P C -0.514 176.686 177.300 -0.167 0.000 1.195 103 P CA 0.228 63.064 63.100 -0.440 0.000 0.768 103 P CB 0.139 31.626 31.700 -0.355 0.000 0.838 104 Y N 2.390 122.499 120.300 -0.319 0.000 2.377 104 Y HA 0.080 4.630 4.550 -0.000 0.000 0.330 104 Y C 1.676 177.440 175.900 -0.226 0.000 1.108 104 Y CA -0.416 57.537 58.100 -0.246 0.000 1.308 104 Y CB 0.528 38.815 38.460 -0.289 0.000 1.216 104 Y HN 0.424 nan 8.280 nan 0.000 0.518 105 S N 4.529 119.971 115.700 -0.431 0.000 2.474 105 S HA -0.052 4.417 4.470 -0.000 0.000 0.235 105 S C 1.088 175.343 174.600 -0.576 0.000 0.997 105 S CA 0.908 58.849 58.200 -0.431 0.000 0.949 105 S CB -0.130 62.888 63.200 -0.304 0.000 0.766 105 S HN 0.804 nan 8.310 nan 0.000 0.517 106 R N 0.881 120.753 120.500 -1.047 0.000 2.613 106 R HA 0.276 4.616 4.340 -0.000 0.000 0.361 106 R C -0.907 175.106 176.300 -0.478 0.000 1.072 106 R CA -0.125 55.529 56.100 -0.744 0.000 1.089 106 R CB 0.161 30.032 30.300 -0.714 0.000 1.343 106 R HN 0.311 nan 8.270 nan 0.000 0.571 107 D N 1.273 121.470 120.400 -0.338 0.000 2.316 107 D HA 0.122 4.761 4.640 -0.000 0.000 0.245 107 D C -1.700 174.535 176.300 -0.109 0.000 1.171 107 D CA -2.477 51.494 54.000 -0.049 0.000 0.856 107 D CB 1.751 42.575 40.800 0.039 0.000 1.090 107 D HN -0.140 nan 8.370 nan 0.000 0.476 108 P HA -0.132 nan 4.420 nan 0.000 0.216 108 P C 1.114 178.213 177.300 -0.335 0.000 1.150 108 P CA 1.184 64.174 63.100 -0.183 0.000 0.843 108 P CB 0.224 31.864 31.700 -0.100 0.000 0.787 109 R N -1.125 119.075 120.500 -0.499 0.000 2.115 109 R HA -0.117 4.222 4.340 -0.000 0.000 0.230 109 R C 2.093 178.420 176.300 0.046 0.000 1.111 109 R CA 1.272 57.117 56.100 -0.425 0.000 0.976 109 R CB -0.869 29.090 30.300 -0.570 0.000 0.870 109 R HN 0.215 nan 8.270 nan 0.000 0.445 110 N N 1.033 119.757 118.700 0.040 0.000 2.142 110 N HA -0.113 4.626 4.740 -0.000 0.000 0.186 110 N C 1.599 177.031 175.510 -0.130 0.000 1.023 110 N CA 1.063 54.101 53.050 -0.020 0.000 0.852 110 N CB 0.021 38.446 38.487 -0.103 0.000 0.998 110 N HN 0.011 nan 8.380 nan 0.000 0.424 111 I N 0.938 121.374 120.570 -0.223 0.000 2.208 111 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 111 I C 2.291 178.264 176.117 -0.241 0.000 1.097 111 I CA 1.171 62.255 61.300 -0.361 0.000 1.363 111 I CB -1.881 35.761 38.000 -0.598 0.000 1.051 111 I HN 0.155 nan 8.210 nan 0.000 0.413 112 A N 0.589 123.341 122.820 -0.112 0.000 1.902 112 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 112 A C 2.554 180.143 177.584 0.008 0.000 1.181 112 A CA 1.376 53.409 52.037 -0.006 0.000 0.623 112 A CB -0.621 18.457 19.000 0.131 0.000 0.818 112 A HN 0.288 nan 8.150 nan 0.000 0.443 113 R N -0.167 120.345 120.500 0.020 0.000 2.080 113 R HA -0.150 4.190 4.340 -0.000 0.000 0.236 113 R C 2.181 178.460 176.300 -0.034 0.000 1.137 113 R CA 1.954 58.053 56.100 -0.001 0.000 0.943 113 R CB -0.268 30.006 30.300 -0.044 0.000 0.846 113 R HN 0.534 nan 8.270 nan 0.000 0.431 114 K N -0.390 119.968 120.400 -0.070 0.000 2.097 114 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 114 K C 2.089 178.690 176.600 0.001 0.000 1.049 114 K CA 1.236 57.487 56.287 -0.061 0.000 0.933 114 K CB -0.119 32.305 32.500 -0.126 0.000 0.717 114 K HN 0.169 nan 8.250 nan 0.000 0.442 115 A N 1.858 124.669 122.820 -0.015 0.000 1.883 115 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 115 A C 1.941 179.604 177.584 0.132 0.000 1.186 115 A CA 1.570 53.648 52.037 0.069 0.000 0.624 115 A CB -0.420 18.606 19.000 0.042 0.000 0.822 115 A HN 0.298 nan 8.150 nan 0.000 0.444 116 E N -0.261 119.985 120.200 0.075 0.000 2.077 116 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 116 E C 1.749 178.384 176.600 0.057 0.000 0.989 116 E CA 1.129 57.567 56.400 0.062 0.000 0.800 116 E CB -0.205 29.506 29.700 0.019 0.000 0.746 116 E HN 0.550 nan 8.360 nan 0.000 0.452 117 N N 0.184 118.916 118.700 0.053 0.000 2.216 117 N HA -0.152 4.588 4.740 -0.000 0.000 0.183 117 N C 1.701 177.256 175.510 0.076 0.000 1.017 117 N CA 0.775 53.851 53.050 0.044 0.000 0.861 117 N CB -0.298 38.204 38.487 0.025 0.000 0.986 117 N HN 0.230 nan 8.380 nan 0.000 0.428 118 Y N 1.882 122.182 120.300 0.001 0.000 2.145 118 Y HA -0.175 4.374 4.550 -0.000 0.000 0.286 118 Y C 2.333 178.251 175.900 0.030 0.000 1.145 118 Y CA 1.056 59.164 58.100 0.013 0.000 1.148 118 Y CB -0.589 37.880 38.460 0.014 0.000 0.981 118 Y HN -0.036 nan 8.280 nan 0.000 0.507 119 L N 0.620 121.848 121.223 0.009 0.000 1.990 119 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 119 L C 2.225 179.034 176.870 -0.102 0.000 1.072 119 L CA 2.135 56.944 54.840 -0.052 0.000 0.755 119 L CB -0.987 41.120 42.059 0.080 0.000 0.889 119 L HN 0.383 nan 8.230 nan 0.000 0.432 120 I N -0.410 120.129 120.570 -0.051 0.000 2.208 120 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 120 I C 2.610 178.678 176.117 -0.081 0.000 1.097 120 I CA 1.635 62.910 61.300 -0.043 0.000 1.363 120 I CB -0.574 37.417 38.000 -0.015 0.000 1.051 120 I HN 0.548 nan 8.210 nan 0.000 0.413 121 S N -0.196 115.430 115.700 -0.123 0.000 2.474 121 S HA -0.154 4.316 4.470 -0.000 0.000 0.235 121 S C 1.960 176.447 174.600 -0.189 0.000 0.997 121 S CA 1.359 59.481 58.200 -0.131 0.000 0.949 121 S CB -0.931 62.207 63.200 -0.104 0.000 0.766 121 S HN 0.610 nan 8.310 nan 0.000 0.517 122 T N -3.182 111.203 114.554 -0.282 0.000 3.067 122 T HA 0.414 4.764 4.350 -0.000 0.000 0.261 122 T C 1.861 176.493 174.700 -0.114 0.000 1.110 122 T CA 0.967 62.921 62.100 -0.245 0.000 1.113 122 T CB -0.652 68.026 68.868 -0.317 0.000 0.917 122 T HN 1.164 nan 8.240 nan 0.000 0.499 123 G N 1.440 110.190 108.800 -0.083 0.000 2.284 123 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.261 123 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.261 123 G C 0.910 175.798 174.900 -0.020 0.000 0.997 123 G CA 0.423 45.500 45.100 -0.039 0.000 0.621 123 G HN 0.574 nan 8.290 nan 0.000 0.534 124 I N 0.926 121.482 120.570 -0.023 0.000 2.163 124 I HA 0.191 4.361 4.170 -0.000 0.000 0.243 124 I C 1.654 177.788 176.117 0.028 0.000 1.085 124 I CA 1.828 63.133 61.300 0.009 0.000 1.347 124 I CB -0.322 37.692 38.000 0.023 0.000 1.044 124 I HN 0.730 nan 8.210 nan 0.000 0.408 125 A N 0.158 122.996 122.820 0.030 0.000 2.581 125 A HA 0.424 4.744 4.320 -0.000 0.000 0.290 125 A C -0.832 176.779 177.584 0.045 0.000 1.119 125 A CA -0.145 51.925 52.037 0.056 0.000 0.670 125 A CB 0.755 19.808 19.000 0.088 0.000 1.280 125 A HN 0.220 nan 8.150 nan 0.000 0.425 126 D N -1.390 119.048 120.400 0.064 0.000 2.479 126 D HA 0.266 4.906 4.640 -0.000 0.000 0.216 126 D C 0.089 176.402 176.300 0.022 0.000 1.110 126 D CA 0.745 54.770 54.000 0.042 0.000 0.841 126 D CB 0.626 41.454 40.800 0.047 0.000 1.040 126 D HN 0.357 nan 8.370 nan 0.000 0.505 127 T N 0.194 114.762 114.554 0.023 0.000 2.991 127 T HA 0.727 5.076 4.350 -0.000 0.000 0.303 127 T C -1.039 173.590 174.700 -0.118 0.000 1.015 127 T CA -0.814 61.214 62.100 -0.120 0.000 1.007 127 T CB 1.880 70.577 68.868 -0.286 0.000 1.034 127 T HN 0.202 nan 8.240 nan 0.000 0.446 128 A N 2.924 125.679 122.820 -0.108 0.000 2.273 128 A HA 0.720 5.040 4.320 -0.000 0.000 0.315 128 A C -1.226 176.350 177.584 -0.013 0.000 1.256 128 A CA -0.624 51.426 52.037 0.021 0.000 0.851 128 A CB 0.198 19.363 19.000 0.275 0.000 1.172 128 A HN 0.776 nan 8.150 nan 0.000 0.508 129 Y N 1.181 121.521 120.300 0.067 0.000 2.313 129 Y HA 0.518 5.068 4.550 -0.000 0.000 0.332 129 Y C -0.428 175.408 175.900 -0.106 0.000 1.071 129 Y CA -0.189 57.950 58.100 0.065 0.000 1.169 129 Y CB 1.077 39.481 38.460 -0.093 0.000 1.192 129 Y HN 0.574 nan 8.280 nan 0.000 0.487 130 F N 1.544 121.585 119.950 0.152 0.000 2.449 130 F HA 0.622 5.149 4.527 -0.000 0.000 0.342 130 F C 0.536 176.363 175.800 0.045 0.000 1.127 130 F CA -0.909 57.055 58.000 -0.060 0.000 0.975 130 F CB 1.916 40.656 39.000 -0.433 0.000 1.146 130 F HN 0.579 nan 8.300 nan 0.000 0.444 131 G N 1.973 110.852 108.800 0.132 0.000 2.478 131 G HA2 0.705 4.664 3.960 -0.000 0.000 0.317 131 G HA3 0.705 4.664 3.960 -0.000 0.000 0.317 131 G C -1.513 173.442 174.900 0.091 0.000 1.259 131 G CA -0.681 44.486 45.100 0.112 0.000 0.933 131 G HN 0.840 nan 8.290 nan 0.000 0.478 132 A N 2.467 125.290 122.820 0.004 0.000 2.374 132 A HA 0.846 5.166 4.320 -0.000 0.000 0.317 132 A C -0.421 177.131 177.584 -0.054 0.000 1.094 132 A CA -0.811 51.268 52.037 0.070 0.000 0.765 132 A CB 1.472 20.593 19.000 0.202 0.000 1.268 132 A HN 0.611 nan 8.150 nan 0.000 0.438 133 E N 1.360 121.591 120.200 0.052 0.000 2.346 133 E HA 0.462 4.812 4.350 -0.000 0.000 0.239 133 E C -0.563 176.061 176.600 0.041 0.000 0.943 133 E CA -0.462 55.943 56.400 0.008 0.000 0.751 133 E CB 1.619 31.358 29.700 0.065 0.000 1.241 133 E HN 0.698 nan 8.360 nan 0.000 0.423 134 A N 3.840 126.728 122.820 0.112 0.000 2.415 134 A HA 0.191 4.510 4.320 -0.000 0.000 0.309 134 A C 0.075 177.966 177.584 0.513 0.000 1.356 134 A CA -0.408 51.840 52.037 0.353 0.000 0.998 134 A CB 0.064 19.354 19.000 0.483 0.000 1.145 134 A HN 0.520 nan 8.150 nan 0.000 0.545 135 E N 0.945 121.293 120.200 0.246 0.000 2.349 135 E HA 0.602 4.952 4.350 -0.000 0.000 0.262 135 E C -0.608 175.998 176.600 0.009 0.000 1.088 135 E CA -0.009 56.398 56.400 0.011 0.000 0.899 135 E CB 0.939 30.559 29.700 -0.134 0.000 1.044 135 E HN 0.694 nan 8.360 nan 0.000 0.420 136 F N -1.693 118.005 119.950 -0.420 0.000 2.713 136 F HA 0.475 5.002 4.527 -0.000 0.000 0.311 136 F C -1.714 173.672 175.800 -0.690 0.000 1.141 136 F CA -1.306 56.281 58.000 -0.688 0.000 0.939 136 F CB 0.806 39.043 39.000 -1.271 0.000 1.325 136 F HN 0.252 nan 8.300 nan 0.000 0.453 137 Y N 1.923 121.970 120.300 -0.423 0.000 2.341 137 Y HA 0.627 5.176 4.550 -0.000 0.000 0.337 137 Y C -0.009 175.513 175.900 -0.630 0.000 1.014 137 Y CA -0.784 56.900 58.100 -0.694 0.000 1.111 137 Y CB 1.795 39.565 38.460 -1.150 0.000 1.194 137 Y HN 0.485 nan 8.280 nan 0.000 0.462 138 I N 5.645 125.949 120.570 -0.443 0.000 2.276 138 I HA 0.152 4.322 4.170 -0.000 0.000 0.290 138 I C -0.769 175.282 176.117 -0.109 0.000 1.109 138 I CA -0.169 60.967 61.300 -0.273 0.000 1.229 138 I CB -0.352 37.440 38.000 -0.347 0.000 1.452 138 I HN 0.368 nan 8.210 nan 0.000 0.497 139 F N 3.388 123.412 119.950 0.125 0.000 2.375 139 F HA 0.256 4.783 4.527 -0.000 0.000 0.317 139 F C 1.447 177.339 175.800 0.153 0.000 1.124 139 F CA -0.592 57.511 58.000 0.171 0.000 1.050 139 F CB 0.464 39.567 39.000 0.171 0.000 1.314 139 F HN 0.332 nan 8.300 nan 0.000 0.511 140 D N -0.979 119.655 120.400 0.390 0.000 2.379 140 D HA 0.089 4.729 4.640 -0.000 0.000 0.218 140 D C 0.053 176.442 176.300 0.148 0.000 1.006 140 D CA 0.849 54.979 54.000 0.216 0.000 0.893 140 D CB 0.337 41.248 40.800 0.184 0.000 1.019 140 D HN 0.361 nan 8.370 nan 0.000 0.503 141 S N -1.013 114.788 115.700 0.169 0.000 2.567 141 S HA 0.609 5.078 4.470 -0.000 0.000 0.270 141 S C -1.360 173.306 174.600 0.110 0.000 1.152 141 S CA -0.859 57.410 58.200 0.115 0.000 0.835 141 S CB 2.366 65.611 63.200 0.076 0.000 1.115 141 S HN -0.067 nan 8.310 nan 0.000 0.459 142 V N 1.317 121.304 119.914 0.123 0.000 2.969 142 V HA 0.895 5.015 4.120 -0.000 0.000 0.304 142 V C -1.338 174.830 176.094 0.123 0.000 1.192 142 V CA 0.479 62.866 62.300 0.145 0.000 0.962 142 V CB 1.894 33.857 31.823 0.234 0.000 1.045 142 V HN 1.875 nan 8.190 nan 0.000 0.428 143 S N 5.334 121.113 115.700 0.132 0.000 2.570 143 S HA 0.991 5.460 4.470 -0.000 0.000 0.270 143 S C -1.115 173.376 174.600 -0.181 0.000 1.149 143 S CA -0.617 57.559 58.200 -0.040 0.000 0.837 143 S CB 2.007 65.284 63.200 0.128 0.000 1.124 143 S HN 2.008 nan 8.310 nan 0.000 0.465 144 F N -1.118 118.504 119.950 -0.548 0.000 2.725 144 F HA 0.828 5.355 4.527 -0.000 0.000 0.309 144 F C -1.647 173.731 175.800 -0.703 0.000 1.132 144 F CA -0.833 56.564 58.000 -1.005 0.000 0.957 144 F CB 0.612 39.358 39.000 -0.422 0.000 1.286 144 F HN 0.826 nan 8.300 nan 0.000 0.440 145 D N 0.127 120.243 120.400 -0.473 0.000 2.677 145 D HA 0.689 5.329 4.640 -0.000 0.000 0.298 145 D C -1.661 174.653 176.300 0.023 0.000 1.250 145 D CA -0.744 53.221 54.000 -0.059 0.000 0.888 145 D CB 1.675 42.497 40.800 0.036 0.000 1.397 145 D HN 0.745 nan 8.370 nan 0.000 0.461 146 S N -0.765 114.968 115.700 0.054 0.000 2.706 146 S HA 0.612 5.082 4.470 -0.000 0.000 0.270 146 S C -1.239 173.388 174.600 0.045 0.000 1.163 146 S CA -0.683 57.545 58.200 0.046 0.000 1.042 146 S CB 0.346 63.566 63.200 0.033 0.000 1.079 146 S HN 0.518 nan 8.310 nan 0.000 0.474 147 R N 1.732 122.260 120.500 0.046 0.000 2.950 147 R HA 0.762 5.102 4.340 -0.000 0.000 0.253 147 R C 1.308 177.629 176.300 0.036 0.000 1.168 147 R CA -0.378 55.745 56.100 0.038 0.000 1.014 147 R CB 0.571 30.894 30.300 0.038 0.000 1.228 147 R HN 0.568 nan 8.270 nan 0.000 0.487 148 A N 0.967 123.807 122.820 0.033 0.000 1.902 148 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 148 A C 1.232 178.844 177.584 0.046 0.000 1.181 148 A CA 1.891 53.952 52.037 0.040 0.000 0.623 148 A CB -0.500 18.521 19.000 0.035 0.000 0.818 148 A HN 0.787 nan 8.150 nan 0.000 0.443 149 N N -0.997 117.720 118.700 0.028 0.000 2.205 149 N HA 0.306 5.046 4.740 -0.000 0.000 0.201 149 N C 0.370 175.854 175.510 -0.044 0.000 1.128 149 N CA 0.943 54.002 53.050 0.015 0.000 0.867 149 N CB 0.588 39.082 38.487 0.013 0.000 0.996 149 N HN 0.443 nan 8.380 nan 0.000 0.503 150 G N -1.105 107.672 108.800 -0.038 0.000 2.547 150 G HA2 0.454 4.414 3.960 -0.000 0.000 0.291 150 G HA3 0.454 4.414 3.960 -0.000 0.000 0.291 150 G C -2.105 172.795 174.900 -0.001 0.000 1.471 150 G CA -0.418 44.636 45.100 -0.075 0.000 0.798 150 G HN 0.153 nan 8.290 nan 0.000 0.504 151 S N -1.034 114.674 115.700 0.013 0.000 2.537 151 S HA 0.856 5.326 4.470 -0.000 0.000 0.271 151 S C -1.535 173.164 174.600 0.165 0.000 1.148 151 S CA -0.591 57.658 58.200 0.081 0.000 0.868 151 S CB 1.138 64.355 63.200 0.030 0.000 1.115 151 S HN 1.847 nan 8.310 nan 0.000 0.461 152 F N 2.444 122.404 119.950 0.017 0.000 2.668 152 F HA 0.859 5.386 4.527 -0.000 0.000 0.309 152 F C -1.725 174.164 175.800 0.149 0.000 1.117 152 F CA -1.117 56.888 58.000 0.008 0.000 0.951 152 F CB 0.850 39.816 39.000 -0.056 0.000 1.323 152 F HN 0.698 nan 8.300 nan 0.000 0.451 153 Y N -0.176 120.077 120.300 -0.079 0.000 2.588 153 Y HA 0.807 5.357 4.550 -0.000 0.000 0.343 153 Y C -1.705 174.253 175.900 0.096 0.000 1.065 153 Y CA -1.078 56.931 58.100 -0.151 0.000 1.038 153 Y CB 2.147 40.521 38.460 -0.143 0.000 1.297 153 Y HN 0.970 nan 8.280 nan 0.000 0.467 154 E N 2.527 122.776 120.200 0.081 0.000 2.343 154 E HA 0.501 4.851 4.350 -0.000 0.000 0.286 154 E C -1.827 174.765 176.600 -0.013 0.000 0.915 154 E CA -0.881 55.477 56.400 -0.071 0.000 0.784 154 E CB 2.650 32.350 29.700 0.001 0.000 1.251 154 E HN 0.857 nan 8.360 nan 0.000 0.407 155 V N 0.557 120.361 119.914 -0.183 0.000 2.732 155 V HA 0.792 4.912 4.120 -0.000 0.000 0.310 155 V C -0.421 175.460 176.094 -0.354 0.000 1.053 155 V CA -0.503 61.572 62.300 -0.374 0.000 0.957 155 V CB 1.875 33.183 31.823 -0.858 0.000 1.018 155 V HN 0.670 nan 8.190 nan 0.000 0.452 156 D N 0.836 121.120 120.400 -0.192 0.000 2.661 156 D HA 0.842 5.482 4.640 -0.000 0.000 0.228 156 D C -1.015 175.470 176.300 0.309 0.000 1.210 156 D CA 0.292 54.400 54.000 0.179 0.000 0.826 156 D CB 2.339 43.251 40.800 0.186 0.000 1.542 156 D HN 1.270 nan 8.370 nan 0.000 0.447 157 A N 2.370 125.470 122.820 0.466 0.000 2.540 157 A HA 0.368 4.688 4.320 -0.000 0.000 0.297 157 A C 0.630 178.325 177.584 0.186 0.000 1.056 157 A CA -0.677 51.597 52.037 0.395 0.000 0.700 157 A CB 0.769 20.118 19.000 0.582 0.000 1.280 157 A HN 0.644 nan 8.150 nan 0.000 0.398 158 I N 1.871 122.536 120.570 0.158 0.000 2.248 158 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 158 I C 2.046 178.149 176.117 -0.024 0.000 1.107 158 I CA 2.538 63.863 61.300 0.042 0.000 1.373 158 I CB 0.215 38.228 38.000 0.022 0.000 1.055 158 I HN 0.755 nan 8.210 nan 0.000 0.418 159 S N 0.167 115.908 115.700 0.068 0.000 2.603 159 S HA 0.162 4.632 4.470 -0.000 0.000 0.220 159 S C 1.160 175.687 174.600 -0.121 0.000 0.967 159 S CA -0.010 58.225 58.200 0.058 0.000 0.920 159 S CB -0.829 62.547 63.200 0.293 0.000 0.773 159 S HN 0.464 nan 8.310 nan 0.000 0.529 160 G N 0.656 109.175 108.800 -0.468 0.000 2.340 160 G HA2 0.110 4.070 3.960 -0.000 0.000 0.245 160 G HA3 0.110 4.070 3.960 -0.000 0.000 0.245 160 G C 0.396 174.669 174.900 -1.046 0.000 1.294 160 G CA -0.654 43.627 45.100 -1.365 0.000 0.896 160 G HN 0.512 nan 8.290 nan 0.000 0.522 161 W N 2.838 123.628 121.300 -0.850 0.000 2.392 161 W HA -0.121 4.539 4.660 -0.000 0.000 0.279 161 W C 1.626 178.010 176.519 -0.226 0.000 1.225 161 W CA 1.077 58.155 57.345 -0.445 0.000 1.233 161 W CB 0.060 29.256 29.460 -0.440 0.000 1.122 161 W HN 0.918 nan 8.180 nan 0.000 0.561 162 W N 0.648 121.990 121.300 0.070 0.000 2.538 162 W HA -0.053 4.607 4.660 -0.000 0.000 0.254 162 W C 1.102 177.577 176.519 -0.073 0.000 1.249 162 W CA 0.939 58.305 57.345 0.035 0.000 1.253 162 W CB -1.545 27.979 29.460 0.107 0.000 1.130 162 W HN -0.240 nan 8.180 nan 0.000 0.618 163 N N 0.547 119.033 118.700 -0.357 0.000 2.230 163 N HA -0.042 4.697 4.740 -0.000 0.000 0.202 163 N C 1.640 176.972 175.510 -0.297 0.000 1.119 163 N CA 1.356 54.259 53.050 -0.245 0.000 0.851 163 N CB -0.268 38.056 38.487 -0.271 0.000 0.990 163 N HN 0.395 nan 8.380 nan 0.000 0.497 164 T N -2.748 111.519 114.554 -0.478 0.000 2.849 164 T HA -0.098 4.252 4.350 -0.000 0.000 0.270 164 T C 1.769 176.280 174.700 -0.314 0.000 1.066 164 T CA 1.410 63.191 62.100 -0.532 0.000 1.130 164 T CB -0.384 67.917 68.868 -0.944 0.000 0.864 164 T HN 0.157 nan 8.240 nan 0.000 0.481 165 G N 0.646 109.310 108.800 -0.226 0.000 3.088 165 G HA2 0.532 4.491 3.960 -0.000 0.000 0.217 165 G HA3 0.532 4.491 3.960 -0.000 0.000 0.217 165 G C 0.501 175.347 174.900 -0.090 0.000 1.159 165 G CA -0.021 44.998 45.100 -0.135 0.000 0.760 165 G HN 0.840 nan 8.290 nan 0.000 0.550 166 A N 0.333 123.098 122.820 -0.092 0.000 2.511 166 A HA 0.591 4.911 4.320 -0.000 0.000 0.242 166 A C 1.749 179.301 177.584 -0.053 0.000 1.069 166 A CA 0.514 52.517 52.037 -0.056 0.000 0.763 166 A CB 0.626 19.597 19.000 -0.049 0.000 1.001 166 A HN 0.680 nan 8.150 nan 0.000 0.498 167 A N 2.389 125.186 122.820 -0.037 0.000 1.930 167 A HA 0.273 4.593 4.320 -0.000 0.000 0.217 167 A C 1.389 178.955 177.584 -0.031 0.000 1.175 167 A CA 2.030 54.047 52.037 -0.033 0.000 0.627 167 A CB -0.550 18.435 19.000 -0.026 0.000 0.815 167 A HN 1.653 nan 8.150 nan 0.000 0.443 168 T N -3.977 110.560 114.554 -0.027 0.000 2.841 168 T HA 0.551 4.900 4.350 -0.000 0.000 0.296 168 T C -0.822 173.865 174.700 -0.022 0.000 1.166 168 T CA -0.988 61.098 62.100 -0.024 0.000 1.007 168 T CB 1.503 70.360 68.868 -0.019 0.000 1.253 168 T HN 0.082 nan 8.240 nan 0.000 0.511 169 E N 0.038 120.226 120.200 -0.020 0.000 2.376 169 E HA 0.486 4.835 4.350 -0.000 0.000 0.254 169 E C 1.595 178.192 176.600 -0.006 0.000 1.213 169 E CA 0.014 56.406 56.400 -0.013 0.000 0.945 169 E CB 0.599 30.290 29.700 -0.015 0.000 1.057 169 E HN 0.846 nan 8.360 nan 0.000 0.479 170 A N 1.451 124.273 122.820 0.004 0.000 1.940 170 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 170 A C 1.297 178.880 177.584 -0.003 0.000 1.176 170 A CA 2.138 54.178 52.037 0.006 0.000 0.631 170 A CB -0.489 18.522 19.000 0.018 0.000 0.814 170 A HN 0.599 nan 8.150 nan 0.000 0.446 171 D N -2.222 118.174 120.400 -0.006 0.000 2.349 171 D HA 0.261 4.900 4.640 -0.000 0.000 0.224 171 D C 1.168 177.461 176.300 -0.012 0.000 1.029 171 D CA 1.001 54.994 54.000 -0.011 0.000 0.879 171 D CB -0.547 40.245 40.800 -0.013 0.000 0.906 171 D HN 0.825 nan 8.370 nan 0.000 0.528 172 G N 0.304 109.097 108.800 -0.012 0.000 2.195 172 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.246 172 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.246 172 G C 0.440 175.331 174.900 -0.015 0.000 0.984 172 G CA 0.402 45.494 45.100 -0.013 0.000 0.633 172 G HN 0.818 nan 8.290 nan 0.000 0.525 173 S N 0.735 116.426 115.700 -0.015 0.000 2.593 173 S HA 0.632 5.102 4.470 -0.000 0.000 0.269 173 S C -2.034 172.556 174.600 -0.018 0.000 1.334 173 S CA -0.850 57.340 58.200 -0.016 0.000 1.015 173 S CB 1.603 64.793 63.200 -0.017 0.000 0.912 173 S HN 0.180 nan 8.310 nan 0.000 0.541 174 P HA 0.173 nan 4.420 nan 0.000 0.269 174 P C -0.522 176.765 177.300 -0.022 0.000 1.209 174 P CA -0.355 62.734 63.100 -0.019 0.000 0.776 174 P CB 0.253 31.945 31.700 -0.015 0.000 0.876 175 N N 2.544 121.227 118.700 -0.029 0.000 2.431 175 N HA 0.011 4.751 4.740 -0.000 0.000 0.265 175 N C 0.390 175.885 175.510 -0.024 0.000 1.184 175 N CA 0.314 53.341 53.050 -0.038 0.000 0.943 175 N CB 0.003 38.455 38.487 -0.058 0.000 1.080 175 N HN 0.245 nan 8.380 nan 0.000 0.477 176 R N 2.519 123.015 120.500 -0.006 0.000 2.468 176 R HA 0.213 4.553 4.340 -0.000 0.000 0.280 176 R C 1.054 177.405 176.300 0.085 0.000 0.963 176 R CA 0.102 56.223 56.100 0.034 0.000 1.083 176 R CB -0.000 30.322 30.300 0.037 0.000 1.200 176 R HN 0.820 nan 8.270 nan 0.000 0.541 177 G N 0.935 109.745 108.800 0.017 0.000 2.569 177 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.259 177 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.259 177 G C -0.187 174.778 174.900 0.109 0.000 1.263 177 G CA 0.067 45.156 45.100 -0.018 0.000 0.928 177 G HN 0.417 nan 8.290 nan 0.000 0.572 178 Y N -0.477 119.821 120.300 -0.004 0.000 3.929 178 Y HA -0.210 4.339 4.550 -0.000 0.000 0.225 178 Y C 1.487 177.409 175.900 0.037 0.000 1.200 178 Y CA 1.596 59.709 58.100 0.023 0.000 1.791 178 Y CB -1.562 36.897 38.460 -0.003 0.000 1.561 178 Y HN 0.664 nan 8.280 nan 0.000 0.657 179 K N -0.135 120.344 120.400 0.132 0.000 2.138 179 K HA 0.540 4.859 4.320 -0.000 0.000 0.251 179 K C 0.193 176.961 176.600 0.280 0.000 1.015 179 K CA -0.622 55.745 56.287 0.133 0.000 0.917 179 K CB 1.146 33.627 32.500 -0.031 0.000 1.021 179 K HN -0.090 nan 8.250 nan 0.000 0.485 180 V N 2.881 122.927 119.914 0.219 0.000 2.432 180 V HA 0.168 4.288 4.120 -0.000 0.000 0.275 180 V C 0.430 176.574 176.094 0.084 0.000 1.043 180 V CA -0.515 61.868 62.300 0.138 0.000 0.925 180 V CB 0.859 32.750 31.823 0.113 0.000 0.985 180 V HN 0.629 nan 8.190 nan 0.000 0.466 181 R N 3.058 123.422 120.500 -0.227 0.000 2.694 181 R HA 0.212 4.552 4.340 -0.000 0.000 0.268 181 R C 0.086 176.188 176.300 -0.331 0.000 1.061 181 R CA -0.591 55.079 56.100 -0.716 0.000 1.133 181 R CB 0.264 30.076 30.300 -0.813 0.000 1.020 181 R HN 0.668 nan 8.270 nan 0.000 0.475 182 H N 3.727 122.659 119.070 -0.231 0.000 3.034 182 H HA -0.048 4.508 4.556 -0.000 0.000 0.324 182 H C 0.536 175.851 175.328 -0.022 0.000 1.015 182 H CA 0.638 56.683 56.048 -0.006 0.000 1.429 182 H CB 0.560 30.344 29.762 0.038 0.000 1.429 182 H HN 0.526 nan 8.280 nan 0.000 0.585 183 K N 1.285 121.807 120.400 0.204 0.000 3.274 183 K HA -0.162 4.157 4.320 -0.000 0.000 0.300 183 K C 0.971 177.601 176.600 0.050 0.000 1.230 183 K CA 1.026 57.389 56.287 0.127 0.000 0.884 183 K CB -1.679 30.871 32.500 0.083 0.000 1.242 183 K HN 0.859 nan 8.250 nan 0.000 0.467 184 G N -0.254 108.561 108.800 0.024 0.000 3.651 184 G HA2 0.331 4.291 3.960 -0.000 0.000 0.279 184 G HA3 0.331 4.291 3.960 -0.000 0.000 0.279 184 G C 1.057 175.955 174.900 -0.003 0.000 1.024 184 G CA 0.374 45.459 45.100 -0.025 0.000 0.813 184 G HN 0.292 nan 8.290 nan 0.000 0.518 185 G N -0.342 108.495 108.800 0.062 0.000 2.880 185 G HA2 0.093 4.053 3.960 -0.000 0.000 0.209 185 G HA3 0.093 4.053 3.960 -0.000 0.000 0.209 185 G C 0.072 175.018 174.900 0.077 0.000 1.157 185 G CA -0.148 44.942 45.100 -0.017 0.000 0.779 185 G HN 0.385 nan 8.290 nan 0.000 0.539 186 Y N 1.773 122.062 120.300 -0.017 0.000 2.491 186 Y HA 0.508 5.057 4.550 -0.000 0.000 0.334 186 Y C -1.210 174.501 175.900 -0.314 0.000 0.969 186 Y CA -1.890 56.133 58.100 -0.128 0.000 1.241 186 Y CB 0.429 38.749 38.460 -0.233 0.000 1.105 186 Y HN 0.062 nan 8.280 nan 0.000 0.503 187 F N 6.050 125.993 119.950 -0.011 0.000 2.971 187 F HA 0.474 5.001 4.527 -0.000 0.000 0.373 187 F C -2.962 172.782 175.800 -0.093 0.000 1.288 187 F CA -3.707 54.210 58.000 -0.138 0.000 1.204 187 F CB -1.168 37.637 39.000 -0.325 0.000 1.852 187 F HN 0.194 nan 8.300 nan 0.000 0.624 188 P HA 0.206 nan 4.420 nan 0.000 0.268 188 P C 0.272 177.599 177.300 0.046 0.000 1.208 188 P CA -0.118 63.033 63.100 0.085 0.000 0.777 188 P CB 1.571 33.301 31.700 0.052 0.000 0.875 189 V N -0.923 119.009 119.914 0.031 0.000 3.237 189 V HA 0.415 4.534 4.120 -0.000 0.000 0.305 189 V C 0.608 176.700 176.094 -0.004 0.000 1.096 189 V CA -0.797 61.503 62.300 0.000 0.000 1.130 189 V CB -0.793 31.024 31.823 -0.010 0.000 1.048 189 V HN 0.780 nan 8.190 nan 0.000 0.484 190 A N 3.010 125.813 122.820 -0.028 0.000 2.483 190 A HA 0.482 4.802 4.320 -0.000 0.000 0.238 190 A C -0.793 176.719 177.584 -0.121 0.000 1.070 190 A CA -0.368 51.630 52.037 -0.064 0.000 0.770 190 A CB -0.596 18.363 19.000 -0.068 0.000 1.008 190 A HN 0.951 nan 8.150 nan 0.000 0.497 191 P HA 0.022 nan 4.420 nan 0.000 0.249 191 P C 0.912 178.144 177.300 -0.114 0.000 1.229 191 P CA 0.048 62.981 63.100 -0.278 0.000 0.788 191 P CB 0.139 31.502 31.700 -0.562 0.000 1.072 192 N N 0.656 119.376 118.700 0.034 0.000 2.061 192 N HA -0.133 4.607 4.740 -0.000 0.000 0.193 192 N C 0.398 175.939 175.510 0.051 0.000 1.030 192 N CA 1.277 54.408 53.050 0.136 0.000 0.856 192 N CB -0.518 38.048 38.487 0.132 0.000 1.023 192 N HN 0.151 nan 8.380 nan 0.000 0.424 193 D N 1.353 121.768 120.400 0.025 0.000 2.374 193 D HA 0.052 4.691 4.640 -0.000 0.000 0.240 193 D C 0.323 176.657 176.300 0.056 0.000 1.229 193 D CA 0.173 54.228 54.000 0.091 0.000 0.895 193 D CB 0.422 41.278 40.800 0.093 0.000 1.046 193 D HN 0.176 nan 8.370 nan 0.000 0.498 194 Q N 2.758 122.561 119.800 0.004 0.000 2.360 194 Q HA -0.006 4.334 4.340 -0.000 0.000 0.202 194 Q C -0.043 175.663 176.000 -0.489 0.000 0.915 194 Q CA 0.275 55.889 55.803 -0.315 0.000 0.943 194 Q CB 0.485 28.932 28.738 -0.485 0.000 1.064 194 Q HN 0.636 nan 8.270 nan 0.000 0.511 195 Y N -1.706 118.646 120.300 0.086 0.000 2.682 195 Y HA 0.119 4.669 4.550 -0.000 0.000 0.251 195 Y C 1.555 177.476 175.900 0.035 0.000 1.172 195 Y CA -0.324 57.807 58.100 0.052 0.000 1.186 195 Y CB 0.512 38.989 38.460 0.028 0.000 1.216 195 Y HN -0.137 nan 8.280 nan 0.000 0.540 196 V N -0.026 119.958 119.914 0.117 0.000 2.255 196 V HA -0.289 3.830 4.120 -0.000 0.000 0.247 196 V C 1.742 177.868 176.094 0.053 0.000 1.051 196 V CA 2.335 64.678 62.300 0.072 0.000 1.018 196 V CB -0.190 31.650 31.823 0.028 0.000 0.641 196 V HN 0.345 nan 8.190 nan 0.000 0.445 197 D N -0.304 120.116 120.400 0.035 0.000 2.144 197 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 197 D C 1.911 178.238 176.300 0.046 0.000 0.984 197 D CA 1.032 55.048 54.000 0.027 0.000 0.834 197 D CB -0.283 40.522 40.800 0.008 0.000 0.955 197 D HN 0.328 nan 8.370 nan 0.000 0.465 198 L N 0.975 122.242 121.223 0.073 0.000 2.056 198 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 198 L C 2.045 178.966 176.870 0.085 0.000 1.078 198 L CA 1.599 56.492 54.840 0.089 0.000 0.749 198 L CB -0.237 41.906 42.059 0.140 0.000 0.901 198 L HN -0.138 nan 8.230 nan 0.000 0.433 199 R N -0.540 120.018 120.500 0.097 0.000 2.115 199 R HA -0.124 4.216 4.340 -0.000 0.000 0.230 199 R C 1.788 178.123 176.300 0.057 0.000 1.111 199 R CA 1.200 57.349 56.100 0.082 0.000 0.976 199 R CB -0.380 29.963 30.300 0.072 0.000 0.870 199 R HN 0.420 nan 8.270 nan 0.000 0.445 200 D N 0.690 121.118 120.400 0.047 0.000 2.117 200 D HA -0.115 4.524 4.640 -0.000 0.000 0.197 200 D C 1.639 177.956 176.300 0.028 0.000 0.987 200 D CA 1.246 55.265 54.000 0.032 0.000 0.829 200 D CB 0.050 40.864 40.800 0.023 0.000 0.961 200 D HN 0.145 nan 8.370 nan 0.000 0.460 201 K N -0.193 120.226 120.400 0.032 0.000 2.097 201 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 201 K C 2.235 178.849 176.600 0.022 0.000 1.049 201 K CA 0.850 57.154 56.287 0.028 0.000 0.933 201 K CB -0.069 32.454 32.500 0.038 0.000 0.717 201 K HN 0.149 nan 8.250 nan 0.000 0.442 202 M N 0.580 120.193 119.600 0.023 0.000 2.086 202 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 202 M C 2.127 178.419 176.300 -0.013 0.000 1.067 202 M CA 1.581 56.878 55.300 -0.005 0.000 1.116 202 M CB -0.327 32.271 32.600 -0.003 0.000 1.348 202 M HN 0.098 nan 8.290 nan 0.000 0.407 203 L N -0.704 120.530 121.223 0.018 0.000 2.046 203 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 203 L C 2.482 179.361 176.870 0.015 0.000 1.077 203 L CA 1.312 56.168 54.840 0.026 0.000 0.747 203 L CB -0.875 41.209 42.059 0.042 0.000 0.896 203 L HN 0.335 nan 8.230 nan 0.000 0.432 204 T N -0.883 113.676 114.554 0.009 0.000 2.812 204 T HA -0.106 4.244 4.350 -0.000 0.000 0.264 204 T C 1.701 176.394 174.700 -0.013 0.000 1.042 204 T CA 1.176 63.278 62.100 0.003 0.000 1.140 204 T CB -0.215 68.654 68.868 0.002 0.000 0.870 204 T HN 0.265 nan 8.240 nan 0.000 0.445 205 N N 1.326 120.006 118.700 -0.033 0.000 2.149 205 N HA 0.013 4.753 4.740 -0.000 0.000 0.188 205 N C 1.810 177.289 175.510 -0.051 0.000 1.019 205 N CA 0.811 53.816 53.050 -0.075 0.000 0.857 205 N CB -0.505 37.924 38.487 -0.096 0.000 0.997 205 N HN 0.352 nan 8.380 nan 0.000 0.426 206 L N 0.355 121.542 121.223 -0.060 0.000 2.027 206 L HA -0.047 4.293 4.340 -0.000 0.000 0.206 206 L C 2.134 179.089 176.870 0.142 0.000 1.074 206 L CA 0.747 55.542 54.840 -0.074 0.000 0.745 206 L CB -0.333 41.559 42.059 -0.277 0.000 0.898 206 L HN 0.083 nan 8.230 nan 0.000 0.433 207 I N 0.223 120.845 120.570 0.086 0.000 2.163 207 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 207 I C 1.867 178.029 176.117 0.074 0.000 1.085 207 I CA 1.222 62.579 61.300 0.095 0.000 1.347 207 I CB -0.388 37.646 38.000 0.056 0.000 1.044 207 I HN 0.352 nan 8.210 nan 0.000 0.408 208 N N 0.220 118.943 118.700 0.039 0.000 2.550 208 N HA -0.064 4.676 4.740 -0.000 0.000 0.186 208 N C 1.255 176.777 175.510 0.020 0.000 1.110 208 N CA 0.698 53.755 53.050 0.011 0.000 0.912 208 N CB -0.030 38.443 38.487 -0.024 0.000 0.968 208 N HN 0.185 nan 8.380 nan 0.000 0.448 209 S N -0.951 114.799 115.700 0.083 0.000 2.572 209 S HA 0.316 4.786 4.470 -0.000 0.000 0.228 209 S C 1.238 175.875 174.600 0.063 0.000 0.963 209 S CA 0.158 58.421 58.200 0.104 0.000 0.939 209 S CB 0.522 63.856 63.200 0.224 0.000 0.804 209 S HN 0.499 nan 8.310 nan 0.000 0.480 210 G N 1.271 110.100 108.800 0.048 0.000 2.159 210 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.256 210 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.256 210 G C -0.035 174.808 174.900 -0.094 0.000 0.977 210 G CA -0.453 44.619 45.100 -0.048 0.000 0.652 210 G HN 0.448 nan 8.290 nan 0.000 0.531 211 F N 0.376 120.298 119.950 -0.046 0.000 2.471 211 F HA 0.525 5.052 4.527 -0.000 0.000 0.353 211 F C 1.332 177.135 175.800 0.005 0.000 1.113 211 F CA -0.284 57.695 58.000 -0.035 0.000 1.262 211 F CB 0.663 39.635 39.000 -0.048 0.000 1.146 211 F HN -0.020 nan 8.300 nan 0.000 0.578 212 I N 5.062 125.743 120.570 0.185 0.000 2.297 212 I HA 0.114 4.284 4.170 -0.000 0.000 0.291 212 I C -0.527 175.702 176.117 0.186 0.000 1.033 212 I CA -0.348 61.027 61.300 0.124 0.000 1.253 212 I CB 0.383 38.398 38.000 0.026 0.000 1.396 212 I HN 0.214 nan 8.210 nan 0.000 0.476 213 L N 6.916 128.233 121.223 0.157 0.000 2.357 213 L HA 0.335 4.674 4.340 -0.000 0.000 0.273 213 L C 0.974 177.910 176.870 0.110 0.000 1.080 213 L CA 0.400 55.338 54.840 0.163 0.000 0.803 213 L CB 1.399 43.538 42.059 0.133 0.000 1.174 213 L HN 0.701 nan 8.230 nan 0.000 0.443 214 E N 1.396 121.662 120.200 0.110 0.000 2.378 214 E HA 0.106 4.456 4.350 -0.000 0.000 0.200 214 E C -0.403 176.243 176.600 0.077 0.000 0.882 214 E CA 0.104 56.550 56.400 0.077 0.000 1.061 214 E CB 1.081 30.818 29.700 0.062 0.000 1.049 214 E HN 0.586 nan 8.360 nan 0.000 0.494 215 K N -0.586 119.872 120.400 0.096 0.000 2.578 215 K HA 0.658 4.978 4.320 -0.000 0.000 0.287 215 K C -0.953 175.712 176.600 0.107 0.000 1.010 215 K CA -1.093 55.256 56.287 0.102 0.000 0.889 215 K CB 1.912 34.488 32.500 0.126 0.000 1.514 215 K HN 0.063 nan 8.250 nan 0.000 0.424 216 G N 0.799 109.653 108.800 0.089 0.000 2.682 216 G HA2 0.702 4.662 3.960 -0.000 0.000 0.300 216 G HA3 0.702 4.662 3.960 -0.000 0.000 0.300 216 G C -1.798 173.131 174.900 0.048 0.000 1.391 216 G CA -0.585 44.533 45.100 0.030 0.000 0.990 216 G HN 0.995 nan 8.290 nan 0.000 0.501 217 H N -1.061 117.994 119.070 -0.025 0.000 3.003 217 H HA 0.538 5.093 4.556 -0.000 0.000 0.327 217 H C -1.177 174.145 175.328 -0.010 0.000 1.353 217 H CA -1.052 54.968 56.048 -0.047 0.000 1.142 217 H CB 0.991 30.697 29.762 -0.094 0.000 1.864 217 H HN 0.511 nan 8.280 nan 0.000 0.529 218 H N 1.157 120.290 119.070 0.106 0.000 2.732 218 H HA 0.203 4.758 4.556 -0.000 0.000 0.351 218 H C -0.279 175.170 175.328 0.201 0.000 1.090 218 H CA 0.365 56.449 56.048 0.060 0.000 1.431 218 H CB 0.967 30.799 29.762 0.117 0.000 1.447 218 H HN 0.676 nan 8.280 nan 0.000 0.582 219 E N 2.462 122.790 120.200 0.213 0.000 2.284 219 E HA 0.092 4.441 4.350 -0.000 0.000 0.255 219 E C 1.511 178.334 176.600 0.372 0.000 1.052 219 E CA -0.769 55.816 56.400 0.309 0.000 0.904 219 E CB 1.751 31.453 29.700 0.004 0.000 1.217 219 E HN 0.410 nan 8.360 nan 0.000 0.438 220 V N 0.513 120.604 119.914 0.294 0.000 2.324 220 V HA -0.189 3.930 4.120 -0.000 0.000 0.250 220 V C 1.314 177.547 176.094 0.231 0.000 1.060 220 V CA 1.989 64.424 62.300 0.224 0.000 1.042 220 V CB -0.769 31.128 31.823 0.124 0.000 0.650 220 V HN 0.656 nan 8.190 nan 0.000 0.450 221 G N -0.035 108.898 108.800 0.222 0.000 2.398 221 G HA2 0.277 4.237 3.960 -0.000 0.000 0.246 221 G HA3 0.277 4.237 3.960 -0.000 0.000 0.246 221 G C 0.151 175.315 174.900 0.440 0.000 1.289 221 G CA 0.363 45.683 45.100 0.366 0.000 0.869 221 G HN 0.332 nan 8.290 nan 0.000 0.543 222 S N 0.623 116.593 115.700 0.450 0.000 2.576 222 S HA 0.428 4.898 4.470 -0.000 0.000 0.272 222 S C 1.541 176.448 174.600 0.512 0.000 1.352 222 S CA 1.077 59.492 58.200 0.358 0.000 1.021 222 S CB 0.242 63.511 63.200 0.115 0.000 0.887 222 S HN 2.273 nan 8.310 nan 0.000 0.542 223 G N 1.396 110.409 108.800 0.355 0.000 2.182 223 G HA2 0.100 4.060 3.960 -0.000 0.000 0.248 223 G HA3 0.100 4.060 3.960 -0.000 0.000 0.248 223 G C 1.034 176.222 174.900 0.479 0.000 1.042 223 G CA 0.464 45.846 45.100 0.470 0.000 0.775 223 G HN 2.160 nan 8.290 nan 0.000 0.501 224 G N -1.412 107.523 108.800 0.225 0.000 2.165 224 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.226 224 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.226 224 G C 0.183 174.637 174.900 -0.743 0.000 1.035 224 G CA 1.022 45.811 45.100 -0.520 0.000 0.744 224 G HN 1.350 nan 8.290 nan 0.000 0.501 225 Q N -0.243 119.161 119.800 -0.660 0.000 2.392 225 Q HA 0.606 4.946 4.340 -0.000 0.000 0.262 225 Q C 0.383 175.773 176.000 -1.016 0.000 1.003 225 Q CA 0.697 55.855 55.803 -1.075 0.000 0.888 225 Q CB 0.755 28.874 28.738 -1.031 0.000 1.260 225 Q HN 1.270 nan 8.270 nan 0.000 0.435 226 A N 3.207 125.361 122.820 -1.110 0.000 2.593 226 A HA 0.670 4.989 4.320 -0.000 0.000 0.290 226 A C -1.625 175.306 177.584 -1.090 0.000 1.126 226 A CA -0.608 50.781 52.037 -1.079 0.000 0.695 226 A CB 2.101 20.379 19.000 -1.205 0.000 1.290 226 A HN 0.775 nan 8.150 nan 0.000 0.414 227 E N 0.234 119.967 120.200 -0.779 0.000 2.335 227 E HA 0.619 4.969 4.350 -0.000 0.000 0.280 227 E C -2.064 174.386 176.600 -0.250 0.000 0.918 227 E CA -0.411 55.705 56.400 -0.473 0.000 0.765 227 E CB 1.590 31.016 29.700 -0.457 0.000 1.218 227 E HN 0.579 nan 8.360 nan 0.000 0.425 228 I N 3.219 123.876 120.570 0.145 0.000 2.545 228 I HA 0.369 4.539 4.170 -0.000 0.000 0.292 228 I C -0.695 175.537 176.117 0.193 0.000 1.040 228 I CA -0.752 60.681 61.300 0.222 0.000 1.068 228 I CB 2.145 40.384 38.000 0.398 0.000 1.251 228 I HN 0.456 nan 8.210 nan 0.000 0.424 229 N N 5.350 124.121 118.700 0.119 0.000 2.372 229 N HA 0.540 5.279 4.740 -0.000 0.000 0.291 229 N C -1.551 174.014 175.510 0.092 0.000 1.024 229 N CA -0.699 52.355 53.050 0.007 0.000 0.873 229 N CB 1.713 40.206 38.487 0.010 0.000 1.206 229 N HN 0.427 nan 8.380 nan 0.000 0.486 230 Y N -0.833 119.504 120.300 0.060 0.000 2.598 230 Y HA 0.383 4.933 4.550 -0.000 0.000 0.340 230 Y C 0.100 176.054 175.900 0.089 0.000 1.038 230 Y CA -1.402 56.768 58.100 0.115 0.000 1.100 230 Y CB 0.596 39.208 38.460 0.253 0.000 1.281 230 Y HN 0.371 nan 8.280 nan 0.000 0.488 231 Q N 2.170 122.084 119.800 0.190 0.000 2.315 231 Q HA 0.164 4.504 4.340 -0.000 0.000 0.289 231 Q C -0.487 175.499 176.000 -0.024 0.000 1.044 231 Q CA -0.428 55.360 55.803 -0.025 0.000 0.920 231 Q CB 0.288 28.927 28.738 -0.165 0.000 1.214 231 Q HN 0.639 nan 8.270 nan 0.000 0.392 232 F N 2.181 122.133 119.950 0.003 0.000 2.587 232 F HA 0.336 4.863 4.527 -0.000 0.000 0.327 232 F C 0.092 175.973 175.800 0.135 0.000 1.232 232 F CA -0.489 57.539 58.000 0.046 0.000 1.353 232 F CB 0.338 39.325 39.000 -0.020 0.000 1.156 232 F HN 0.508 nan 8.300 nan 0.000 0.599 233 N N -1.360 117.613 118.700 0.454 0.000 3.106 233 N HA 0.256 4.996 4.740 -0.000 0.000 0.253 233 N C -1.606 174.255 175.510 0.585 0.000 1.506 233 N CA -0.159 53.160 53.050 0.448 0.000 0.876 233 N CB 1.965 40.632 38.487 0.300 0.000 1.452 233 N HN 0.875 nan 8.380 nan 0.000 0.542 234 S N 0.118 116.061 115.700 0.405 0.000 2.584 234 S HA 0.158 4.628 4.470 -0.000 0.000 0.270 234 S C 1.867 176.579 174.600 0.188 0.000 1.346 234 S CA -0.474 57.813 58.200 0.144 0.000 1.018 234 S CB 0.616 63.788 63.200 -0.046 0.000 0.899 234 S HN 0.602 nan 8.310 nan 0.000 0.542 235 L N 1.054 122.379 121.223 0.170 0.000 1.997 235 L HA -0.216 4.124 4.340 -0.000 0.000 0.227 235 L C 2.488 179.428 176.870 0.116 0.000 1.087 235 L CA 2.191 57.093 54.840 0.103 0.000 0.797 235 L CB -0.537 41.543 42.059 0.035 0.000 0.902 235 L HN 0.822 nan 8.230 nan 0.000 0.441 236 L N -0.823 120.428 121.223 0.047 0.000 2.017 236 L HA -0.268 4.072 4.340 -0.000 0.000 0.208 236 L C 2.567 179.531 176.870 0.156 0.000 1.073 236 L CA 1.873 56.766 54.840 0.089 0.000 0.745 236 L CB -0.971 41.112 42.059 0.039 0.000 0.894 236 L HN 0.364 nan 8.230 nan 0.000 0.432 237 H N -0.094 119.058 119.070 0.138 0.000 2.352 237 H HA -0.036 4.519 4.556 -0.000 0.000 0.299 237 H C 2.210 177.618 175.328 0.133 0.000 1.097 237 H CA 1.348 57.460 56.048 0.106 0.000 1.311 237 H CB -0.811 29.004 29.762 0.088 0.000 1.377 237 H HN 0.523 nan 8.280 nan 0.000 0.504 238 A N 0.919 123.944 122.820 0.342 0.000 1.933 238 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 238 A C 2.670 180.485 177.584 0.386 0.000 1.175 238 A CA 1.773 54.056 52.037 0.411 0.000 0.628 238 A CB -0.759 18.517 19.000 0.461 0.000 0.814 238 A HN 0.446 nan 8.150 nan 0.000 0.444 239 A N -0.338 122.585 122.820 0.173 0.000 1.929 239 A HA -0.119 4.200 4.320 -0.000 0.000 0.216 239 A C 1.812 179.146 177.584 -0.417 0.000 1.176 239 A CA 1.627 53.428 52.037 -0.394 0.000 0.628 239 A CB -0.449 18.082 19.000 -0.780 0.000 0.816 239 A HN 0.443 nan 8.150 nan 0.000 0.444 240 D N 0.343 120.698 120.400 -0.075 0.000 2.117 240 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 240 D C 1.261 177.577 176.300 0.026 0.000 0.987 240 D CA 1.376 55.405 54.000 0.047 0.000 0.829 240 D CB -0.336 40.542 40.800 0.131 0.000 0.961 240 D HN 0.341 nan 8.370 nan 0.000 0.460 241 D N 0.204 120.636 120.400 0.053 0.000 2.104 241 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 241 D C 1.988 178.415 176.300 0.212 0.000 0.994 241 D CA 0.700 54.741 54.000 0.068 0.000 0.830 241 D CB -0.284 40.588 40.800 0.120 0.000 0.959 241 D HN 0.137 nan 8.370 nan 0.000 0.452 242 M N 0.805 120.524 119.600 0.197 0.000 2.080 242 M HA -0.172 4.307 4.480 -0.000 0.000 0.260 242 M C 1.795 178.155 176.300 0.100 0.000 1.068 242 M CA 1.528 56.938 55.300 0.184 0.000 1.109 242 M CB -0.406 32.230 32.600 0.060 0.000 1.342 242 M HN -0.169 nan 8.290 nan 0.000 0.405 243 Q N -0.254 119.535 119.800 -0.017 0.000 2.096 243 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 243 Q C 2.220 178.256 176.000 0.059 0.000 0.982 243 Q CA 1.652 57.443 55.803 -0.020 0.000 0.850 243 Q CB -1.072 27.654 28.738 -0.021 0.000 0.901 243 Q HN 0.552 nan 8.270 nan 0.000 0.422 244 L N -0.134 121.170 121.223 0.134 0.000 2.109 244 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 244 L C 2.288 179.314 176.870 0.260 0.000 1.086 244 L CA 1.550 56.522 54.840 0.220 0.000 0.760 244 L CB -0.875 41.338 42.059 0.257 0.000 0.910 244 L HN 0.200 nan 8.230 nan 0.000 0.437 245 Y N 0.548 120.895 120.300 0.078 0.000 2.128 245 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 245 Y C 2.388 178.222 175.900 -0.111 0.000 1.154 245 Y CA 2.266 60.258 58.100 -0.180 0.000 1.149 245 Y CB -0.197 38.136 38.460 -0.212 0.000 0.976 245 Y HN 0.156 nan 8.280 nan 0.000 0.505 246 K N -0.906 119.451 120.400 -0.071 0.000 2.103 246 K HA -0.254 4.065 4.320 -0.000 0.000 0.207 246 K C 1.997 178.491 176.600 -0.176 0.000 1.048 246 K CA 1.810 57.899 56.287 -0.331 0.000 0.930 246 K CB -0.625 31.589 32.500 -0.477 0.000 0.716 246 K HN 0.483 nan 8.250 nan 0.000 0.444 247 Y N 1.575 121.771 120.300 -0.174 0.000 2.145 247 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 247 Y C 1.833 177.667 175.900 -0.110 0.000 1.145 247 Y CA 1.338 59.355 58.100 -0.138 0.000 1.148 247 Y CB -0.135 38.277 38.460 -0.079 0.000 0.981 247 Y HN -0.069 nan 8.280 nan 0.000 0.507 248 I N -0.459 120.068 120.570 -0.072 0.000 2.252 248 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 248 I C 2.049 178.050 176.117 -0.193 0.000 1.102 248 I CA 0.675 61.970 61.300 -0.008 0.000 1.385 248 I CB -0.346 37.660 38.000 0.010 0.000 1.064 248 I HN 0.250 nan 8.210 nan 0.000 0.414 249 I N 1.105 121.435 120.570 -0.400 0.000 2.113 249 I HA -0.286 3.884 4.170 -0.000 0.000 0.238 249 I C 2.452 178.335 176.117 -0.389 0.000 1.070 249 I CA 1.735 62.727 61.300 -0.514 0.000 1.332 249 I CB -1.270 36.203 38.000 -0.879 0.000 1.044 249 I HN 0.221 nan 8.210 nan 0.000 0.402 250 K N 0.516 120.728 120.400 -0.313 0.000 2.074 250 K HA -0.180 4.139 4.320 -0.000 0.000 0.209 250 K C 1.808 178.228 176.600 -0.300 0.000 1.048 250 K CA 1.500 57.646 56.287 -0.235 0.000 0.926 250 K CB -0.132 32.258 32.500 -0.182 0.000 0.713 250 K HN 0.396 nan 8.250 nan 0.000 0.444 251 N N -0.331 118.011 118.700 -0.597 0.000 2.395 251 N HA -0.035 4.705 4.740 -0.000 0.000 0.175 251 N C 1.544 176.647 175.510 -0.678 0.000 1.029 251 N CA 0.912 53.424 53.050 -0.896 0.000 0.897 251 N CB 0.168 37.526 38.487 -1.881 0.000 0.991 251 N HN 0.142 nan 8.380 nan 0.000 0.441 252 T N 1.433 115.786 114.554 -0.334 0.000 2.708 252 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 252 T C 2.102 176.791 174.700 -0.019 0.000 1.037 252 T CA 1.343 63.453 62.100 0.018 0.000 1.146 252 T CB -0.226 68.689 68.868 0.078 0.000 0.865 252 T HN 0.276 nan 8.240 nan 0.000 0.435 253 A N 1.399 124.184 122.820 -0.058 0.000 1.883 253 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 253 A C 2.179 179.781 177.584 0.030 0.000 1.186 253 A CA 1.448 53.482 52.037 -0.005 0.000 0.624 253 A CB -1.181 17.808 19.000 -0.019 0.000 0.822 253 A HN 0.718 nan 8.150 nan 0.000 0.444 254 W N 0.640 121.842 121.300 -0.164 0.000 2.335 254 W HA -0.196 4.464 4.660 -0.000 0.000 0.311 254 W C 2.080 178.537 176.519 -0.103 0.000 1.213 254 W CA 2.051 59.314 57.345 -0.138 0.000 1.274 254 W CB -0.332 29.005 29.460 -0.206 0.000 1.148 254 W HN 0.506 nan 8.180 nan 0.000 0.498 255 Q N -0.654 119.192 119.800 0.077 0.000 2.364 255 Q HA -0.121 4.219 4.340 -0.000 0.000 0.207 255 Q C 0.848 176.844 176.000 -0.006 0.000 0.970 255 Q CA 0.784 56.614 55.803 0.046 0.000 0.888 255 Q CB -0.188 28.606 28.738 0.093 0.000 0.951 255 Q HN 0.282 nan 8.270 nan 0.000 0.469 256 N N -0.998 117.687 118.700 -0.024 0.000 2.275 256 N HA 0.104 4.843 4.740 -0.000 0.000 0.236 256 N C 0.317 175.794 175.510 -0.056 0.000 1.154 256 N CA 0.652 53.689 53.050 -0.022 0.000 0.866 256 N CB 1.671 40.167 38.487 0.015 0.000 1.093 256 N HN 0.288 nan 8.380 nan 0.000 0.515 257 G N 0.782 109.498 108.800 -0.140 0.000 2.157 257 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.248 257 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.248 257 G C 0.234 175.042 174.900 -0.154 0.000 0.979 257 G CA 0.218 45.213 45.100 -0.175 0.000 0.650 257 G HN 0.152 nan 8.290 nan 0.000 0.529 258 K N -0.469 119.862 120.400 -0.116 0.000 2.303 258 K HA 0.852 5.172 4.320 -0.000 0.000 0.233 258 K C -0.402 176.186 176.600 -0.021 0.000 1.046 258 K CA -0.171 56.105 56.287 -0.018 0.000 0.895 258 K CB 1.436 33.979 32.500 0.071 0.000 1.220 258 K HN 0.253 nan 8.250 nan 0.000 0.470 259 T N -0.206 114.408 114.554 0.101 0.000 2.991 259 T HA 0.422 4.771 4.350 -0.000 0.000 0.303 259 T C -1.462 173.342 174.700 0.174 0.000 1.015 259 T CA -0.557 61.665 62.100 0.203 0.000 1.007 259 T CB 0.897 69.916 68.868 0.252 0.000 1.034 259 T HN 0.115 nan 8.240 nan 0.000 0.446 260 V N 4.246 124.230 119.914 0.116 0.000 2.483 260 V HA 0.746 4.866 4.120 -0.000 0.000 0.295 260 V C 0.512 176.622 176.094 0.027 0.000 1.035 260 V CA -0.524 61.765 62.300 -0.019 0.000 0.896 260 V CB 1.880 33.596 31.823 -0.179 0.000 0.986 260 V HN 0.989 nan 8.190 nan 0.000 0.447 261 T N 3.629 118.162 114.554 -0.035 0.000 2.841 261 T HA 0.550 4.899 4.350 -0.000 0.000 0.283 261 T C -0.200 174.477 174.700 -0.038 0.000 1.000 261 T CA -0.252 61.886 62.100 0.064 0.000 0.977 261 T CB 0.736 69.709 68.868 0.175 0.000 0.979 261 T HN 0.383 nan 8.240 nan 0.000 0.446 262 F N 3.652 123.665 119.950 0.104 0.000 2.641 262 F HA 0.346 4.873 4.527 -0.000 0.000 0.302 262 F C 1.268 177.137 175.800 0.115 0.000 1.098 262 F CA -0.690 57.388 58.000 0.129 0.000 1.318 262 F CB 0.131 39.193 39.000 0.103 0.000 1.035 262 F HN 0.518 nan 8.300 nan 0.000 0.551 263 M N -0.164 119.571 119.600 0.225 0.000 2.252 263 M HA 0.214 4.694 4.480 -0.000 0.000 0.333 263 M C -1.981 174.403 176.300 0.140 0.000 1.111 263 M CA -1.289 54.100 55.300 0.148 0.000 1.140 263 M CB 0.274 32.921 32.600 0.077 0.000 1.538 263 M HN -0.225 nan 8.290 nan 0.000 0.448 264 P HA -0.081 nan 4.420 nan 0.000 0.216 264 P C -0.208 177.135 177.300 0.072 0.000 1.150 264 P CA 1.659 64.806 63.100 0.078 0.000 0.837 264 P CB 0.143 31.858 31.700 0.026 0.000 0.786 265 K N -1.295 119.130 120.400 0.041 0.000 2.950 265 K HA 0.211 4.531 4.320 -0.000 0.000 0.199 265 K C -2.268 174.323 176.600 -0.016 0.000 1.144 265 K CA -1.469 54.828 56.287 0.017 0.000 0.983 265 K CB 0.426 32.919 32.500 -0.012 0.000 1.187 265 K HN -0.117 nan 8.250 nan 0.000 0.595 266 P HA -0.012 nan 4.420 nan 0.000 0.227 266 P C -0.287 176.988 177.300 -0.042 0.000 1.161 266 P CA 0.429 63.509 63.100 -0.033 0.000 0.788 266 P CB 0.560 32.308 31.700 0.081 0.000 0.822 267 L N -0.209 120.983 121.223 -0.051 0.000 2.322 267 L HA 0.425 4.765 4.340 -0.000 0.000 0.281 267 L C -0.131 176.763 176.870 0.041 0.000 1.014 267 L CA -1.340 53.497 54.840 -0.005 0.000 0.815 267 L CB 1.410 43.481 42.059 0.020 0.000 1.247 267 L HN -0.173 nan 8.230 nan 0.000 0.421 268 F N 2.454 122.354 119.950 -0.084 0.000 2.420 268 F HA 0.556 5.083 4.527 -0.000 0.000 0.352 268 F C 1.024 176.743 175.800 -0.135 0.000 1.108 268 F CA -0.096 57.839 58.000 -0.108 0.000 1.162 268 F CB 1.076 40.040 39.000 -0.059 0.000 1.118 268 F HN 0.693 nan 8.300 nan 0.000 0.510 269 G N 3.439 111.817 108.800 -0.703 0.000 2.136 269 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.242 269 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.242 269 G C -0.453 174.303 174.900 -0.240 0.000 0.989 269 G CA 0.225 44.979 45.100 -0.577 0.000 0.682 269 G HN 0.828 nan 8.290 nan 0.000 0.522 270 D N -0.919 119.336 120.400 -0.240 0.000 2.610 270 D HA 0.417 5.057 4.640 -0.000 0.000 0.271 270 D C -0.153 176.084 176.300 -0.105 0.000 1.174 270 D CA -0.764 53.262 54.000 0.044 0.000 0.949 270 D CB 0.804 41.772 40.800 0.280 0.000 1.430 270 D HN -0.054 nan 8.370 nan 0.000 0.467 271 N N -0.493 118.311 118.700 0.175 0.000 2.454 271 N HA 0.357 5.097 4.740 -0.000 0.000 0.254 271 N C 0.333 175.926 175.510 0.138 0.000 1.228 271 N CA 0.354 53.497 53.050 0.156 0.000 0.900 271 N CB 0.717 39.335 38.487 0.218 0.000 1.089 271 N HN 0.372 nan 8.380 nan 0.000 0.449 272 G N -0.116 108.722 108.800 0.063 0.000 2.621 272 G HA2 0.317 4.277 3.960 -0.000 0.000 0.271 272 G HA3 0.317 4.277 3.960 -0.000 0.000 0.271 272 G C -0.699 174.284 174.900 0.138 0.000 1.236 272 G CA -0.443 44.722 45.100 0.108 0.000 0.958 272 G HN 0.454 nan 8.290 nan 0.000 0.512 273 S N -0.706 115.075 115.700 0.134 0.000 2.474 273 S HA 0.630 5.100 4.470 -0.000 0.000 0.321 273 S C 0.524 175.165 174.600 0.068 0.000 1.080 273 S CA -0.355 57.891 58.200 0.075 0.000 1.106 273 S CB 1.356 64.613 63.200 0.096 0.000 0.984 273 S HN 0.934 nan 8.310 nan 0.000 0.464 274 G N 1.434 110.235 108.800 0.001 0.000 2.521 274 G HA2 0.643 4.603 3.960 -0.000 0.000 0.323 274 G HA3 0.643 4.603 3.960 -0.000 0.000 0.323 274 G C -0.663 174.205 174.900 -0.054 0.000 1.211 274 G CA -0.718 44.364 45.100 -0.029 0.000 0.979 274 G HN 0.623 nan 8.290 nan 0.000 0.490 275 M N 1.674 121.274 119.600 -0.000 0.000 2.389 275 M HA 0.270 4.749 4.480 -0.000 0.000 0.206 275 M C -0.744 175.635 176.300 0.132 0.000 0.976 275 M CA -0.488 54.855 55.300 0.071 0.000 0.648 275 M CB -0.100 32.603 32.600 0.172 0.000 1.474 275 M HN 0.709 nan 8.290 nan 0.000 0.398 276 H N 0.605 119.752 119.070 0.129 0.000 3.001 276 H HA 0.074 4.630 4.556 -0.000 0.000 0.334 276 H C -0.435 174.996 175.328 0.171 0.000 1.034 276 H CA -0.192 55.920 56.048 0.107 0.000 1.420 276 H CB 0.518 30.344 29.762 0.106 0.000 1.405 276 H HN 0.522 nan 8.280 nan 0.000 0.593 277 C N 4.975 124.443 119.300 0.280 0.000 2.291 277 C HA 0.157 4.617 4.460 -0.000 0.000 0.322 277 C C 0.244 175.308 174.990 0.125 0.000 1.205 277 C CA -0.825 58.339 59.018 0.242 0.000 1.495 277 C CB -0.723 27.201 27.740 0.307 0.000 2.127 277 C HN 0.830 nan 8.230 nan 0.000 0.452 278 H N 2.544 121.625 119.070 0.018 0.000 2.722 278 H HA 0.255 4.810 4.556 -0.000 0.000 0.328 278 H C -0.219 174.966 175.328 -0.238 0.000 1.067 278 H CA 0.520 56.525 56.048 -0.073 0.000 1.447 278 H CB 0.974 30.695 29.762 -0.067 0.000 1.469 278 H HN 0.649 nan 8.280 nan 0.000 0.544 279 Q N 1.607 121.273 119.800 -0.223 0.000 2.331 279 Q HA 0.401 4.741 4.340 -0.000 0.000 0.272 279 Q C -1.048 174.731 176.000 -0.367 0.000 1.062 279 Q CA -0.867 54.650 55.803 -0.477 0.000 0.806 279 Q CB 2.766 31.118 28.738 -0.642 0.000 1.312 279 Q HN 0.758 nan 8.270 nan 0.000 0.431 280 S N 1.548 117.082 115.700 -0.277 0.000 2.556 280 S HA 0.706 5.176 4.470 -0.000 0.000 0.271 280 S C -1.293 173.350 174.600 0.073 0.000 1.135 280 S CA -0.828 57.319 58.200 -0.088 0.000 0.858 280 S CB 1.027 64.306 63.200 0.132 0.000 1.114 280 S HN 0.509 nan 8.310 nan 0.000 0.468 281 L N 1.749 123.023 121.223 0.085 0.000 2.329 281 L HA 0.664 5.003 4.340 -0.000 0.000 0.279 281 L C -1.282 175.761 176.870 0.289 0.000 1.014 281 L CA -0.492 54.456 54.840 0.179 0.000 0.814 281 L CB 1.252 43.356 42.059 0.075 0.000 1.257 281 L HN 0.723 nan 8.230 nan 0.000 0.424 282 W N 2.462 123.794 121.300 0.053 0.000 2.864 282 W HA 0.629 5.289 4.660 -0.000 0.000 0.343 282 W C -0.359 176.192 176.519 0.052 0.000 1.109 282 W CA -0.718 56.681 57.345 0.091 0.000 1.192 282 W CB 1.752 31.346 29.460 0.224 0.000 1.426 282 W HN 0.201 nan 8.180 nan 0.000 0.529 283 K N 1.932 122.464 120.400 0.220 0.000 2.535 283 K HA 0.191 4.511 4.320 -0.000 0.000 0.250 283 K C -0.756 175.926 176.600 0.136 0.000 0.948 283 K CA -0.373 56.000 56.287 0.144 0.000 0.796 283 K CB 1.257 33.799 32.500 0.070 0.000 1.216 283 K HN 0.594 nan 8.250 nan 0.000 0.432 284 D N 2.949 123.429 120.400 0.133 0.000 2.772 284 D HA -0.189 4.451 4.640 -0.000 0.000 0.233 284 D C 0.531 176.925 176.300 0.158 0.000 1.143 284 D CA 1.765 55.834 54.000 0.116 0.000 0.700 284 D CB -1.139 39.704 40.800 0.073 0.000 1.076 284 D HN 1.113 nan 8.370 nan 0.000 0.430 285 G N -1.313 107.641 108.800 0.257 0.000 2.153 285 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.252 285 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.252 285 G C 0.281 175.428 174.900 0.412 0.000 0.994 285 G CA 0.729 46.045 45.100 0.360 0.000 0.698 285 G HN 1.249 nan 8.290 nan 0.000 0.521 286 A N 0.214 123.180 122.820 0.244 0.000 2.365 286 A HA 0.924 5.244 4.320 -0.000 0.000 0.318 286 A C -2.334 174.916 177.584 -0.558 0.000 1.091 286 A CA -1.530 50.446 52.037 -0.101 0.000 0.763 286 A CB 2.299 21.253 19.000 -0.076 0.000 1.248 286 A HN 0.144 nan 8.150 nan 0.000 0.442 287 P HA 0.335 nan 4.420 nan 0.000 0.277 287 P C -0.125 176.798 177.300 -0.628 0.000 1.240 287 P CA -0.119 62.075 63.100 -1.510 0.000 0.798 287 P CB 1.033 31.926 31.700 -1.344 0.000 0.979 288 L N 1.010 121.956 121.223 -0.461 0.000 2.817 288 L HA 0.195 4.534 4.340 -0.000 0.000 0.248 288 L C 1.883 178.668 176.870 -0.142 0.000 1.133 288 L CA 0.153 54.866 54.840 -0.211 0.000 0.935 288 L CB -0.186 41.799 42.059 -0.123 0.000 1.266 288 L HN 0.196 nan 8.230 nan 0.000 0.535 289 M N -0.669 118.841 119.600 -0.150 0.000 2.541 289 M HA 0.079 4.559 4.480 -0.000 0.000 0.252 289 M C 0.255 176.535 176.300 -0.034 0.000 1.125 289 M CA 0.627 55.872 55.300 -0.091 0.000 1.091 289 M CB -0.588 31.958 32.600 -0.089 0.000 1.420 289 M HN 0.040 nan 8.290 nan 0.000 0.486 290 Y N 1.581 121.790 120.300 -0.150 0.000 2.328 290 Y HA 0.385 4.935 4.550 -0.000 0.000 0.337 290 Y C -0.820 175.021 175.900 -0.098 0.000 1.008 290 Y CA -0.877 57.152 58.100 -0.118 0.000 1.129 290 Y CB 0.726 39.111 38.460 -0.124 0.000 1.185 290 Y HN -0.009 nan 8.280 nan 0.000 0.476 291 D N 5.284 125.257 120.400 -0.712 0.000 2.602 291 D HA 0.075 4.715 4.640 -0.000 0.000 0.245 291 D C 0.458 176.288 176.300 -0.784 0.000 1.325 291 D CA -0.301 53.350 54.000 -0.582 0.000 0.952 291 D CB 1.443 42.076 40.800 -0.279 0.000 1.317 291 D HN 0.892 nan 8.370 nan 0.000 0.577 292 E N 1.542 121.304 120.200 -0.731 0.000 2.233 292 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 292 E C 1.212 177.676 176.600 -0.227 0.000 1.004 292 E CA 1.921 58.084 56.400 -0.395 0.000 0.819 292 E CB 0.383 30.035 29.700 -0.080 0.000 0.738 292 E HN 0.544 nan 8.360 nan 0.000 0.478 293 T N -3.114 111.326 114.554 -0.190 0.000 3.060 293 T HA 0.224 4.574 4.350 -0.000 0.000 0.249 293 T C 0.801 175.445 174.700 -0.094 0.000 1.079 293 T CA 0.085 62.119 62.100 -0.110 0.000 1.013 293 T CB 0.596 69.418 68.868 -0.076 0.000 0.975 293 T HN 0.134 nan 8.240 nan 0.000 0.518 294 G N 0.399 109.120 108.800 -0.132 0.000 2.507 294 G HA2 0.423 4.383 3.960 -0.000 0.000 0.271 294 G HA3 0.423 4.383 3.960 -0.000 0.000 0.271 294 G C -0.801 174.085 174.900 -0.023 0.000 1.189 294 G CA -0.949 44.111 45.100 -0.066 0.000 0.859 294 G HN 0.449 nan 8.290 nan 0.000 0.542 295 Y N 1.310 121.584 120.300 -0.044 0.000 2.712 295 Y HA 0.220 4.770 4.550 -0.000 0.000 0.333 295 Y C 1.173 177.068 175.900 -0.009 0.000 1.225 295 Y CA 0.761 58.848 58.100 -0.022 0.000 1.499 295 Y CB 0.455 38.917 38.460 0.004 0.000 1.288 295 Y HN 1.362 nan 8.280 nan 0.000 0.575 296 A N 3.820 126.138 122.820 -0.838 0.000 2.790 296 A HA -0.178 4.142 4.320 -0.000 0.000 0.277 296 A C 1.580 179.019 177.584 -0.242 0.000 1.435 296 A CA 1.536 53.223 52.037 -0.583 0.000 0.877 296 A CB -2.406 16.233 19.000 -0.602 0.000 1.007 296 A HN 2.625 nan 8.150 nan 0.000 0.613 297 G N -2.753 105.914 108.800 -0.222 0.000 2.198 297 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.260 297 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.260 297 G C -0.050 174.674 174.900 -0.294 0.000 1.025 297 G CA 0.555 45.491 45.100 -0.273 0.000 0.769 297 G HN 1.444 nan 8.290 nan 0.000 0.507 298 L N 1.314 122.433 121.223 -0.173 0.000 2.307 298 L HA 0.582 4.922 4.340 -0.000 0.000 0.282 298 L C 1.342 178.119 176.870 -0.156 0.000 1.051 298 L CA -0.309 54.458 54.840 -0.123 0.000 0.804 298 L CB 1.621 43.664 42.059 -0.026 0.000 1.197 298 L HN 0.405 nan 8.230 nan 0.000 0.431 299 S N 0.405 116.011 115.700 -0.156 0.000 2.617 299 S HA 0.094 4.563 4.470 -0.000 0.000 0.259 299 S C 0.625 175.127 174.600 -0.164 0.000 1.301 299 S CA -0.631 57.480 58.200 -0.148 0.000 0.984 299 S CB 0.933 64.062 63.200 -0.118 0.000 0.954 299 S HN 0.610 nan 8.310 nan 0.000 0.572 300 D N 1.120 121.414 120.400 -0.176 0.000 2.117 300 D HA -0.062 4.578 4.640 -0.000 0.000 0.197 300 D C 2.027 178.134 176.300 -0.321 0.000 0.987 300 D CA 1.769 55.584 54.000 -0.308 0.000 0.829 300 D CB -1.024 39.662 40.800 -0.190 0.000 0.961 300 D HN 0.693 nan 8.370 nan 0.000 0.460 301 T N 0.855 115.348 114.554 -0.101 0.000 2.684 301 T HA -0.166 4.183 4.350 -0.000 0.000 0.267 301 T C 1.999 176.704 174.700 0.008 0.000 1.036 301 T CA 1.753 63.859 62.100 0.010 0.000 1.148 301 T CB -0.317 68.561 68.868 0.016 0.000 0.863 301 T HN 0.214 nan 8.240 nan 0.000 0.436 302 A N 1.360 124.140 122.820 -0.067 0.000 1.877 302 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 302 A C 2.304 179.834 177.584 -0.089 0.000 1.186 302 A CA 1.748 53.737 52.037 -0.081 0.000 0.620 302 A CB -0.578 18.355 19.000 -0.111 0.000 0.822 302 A HN 0.402 nan 8.150 nan 0.000 0.443 303 R N -1.273 119.122 120.500 -0.175 0.000 2.092 303 R HA -0.149 4.191 4.340 -0.000 0.000 0.231 303 R C 1.943 178.142 176.300 -0.167 0.000 1.119 303 R CA 1.722 57.677 56.100 -0.242 0.000 0.970 303 R CB -0.345 29.794 30.300 -0.267 0.000 0.864 303 R HN 0.806 nan 8.270 nan 0.000 0.440 304 H N -2.117 116.924 119.070 -0.049 0.000 2.428 304 H HA -0.128 4.428 4.556 -0.000 0.000 0.296 304 H C 1.592 176.910 175.328 -0.016 0.000 1.062 304 H CA 1.275 57.298 56.048 -0.042 0.000 1.350 304 H CB -0.014 29.733 29.762 -0.025 0.000 1.403 304 H HN 0.254 nan 8.280 nan 0.000 0.533 305 Y N 1.288 121.595 120.300 0.013 0.000 2.128 305 Y HA -0.261 4.289 4.550 -0.000 0.000 0.284 305 Y C 2.176 178.015 175.900 -0.100 0.000 1.154 305 Y CA 1.472 59.553 58.100 -0.032 0.000 1.149 305 Y CB -0.164 38.268 38.460 -0.047 0.000 0.976 305 Y HN 0.086 nan 8.280 nan 0.000 0.505 306 I N -0.399 120.220 120.570 0.081 0.000 2.226 306 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 306 I C 2.698 178.739 176.117 -0.127 0.000 1.100 306 I CA 1.364 62.607 61.300 -0.096 0.000 1.374 306 I CB -1.045 36.757 38.000 -0.329 0.000 1.057 306 I HN 0.369 nan 8.210 nan 0.000 0.413 307 G N 0.653 109.391 108.800 -0.103 0.000 2.476 307 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.218 307 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.218 307 G C 1.716 176.571 174.900 -0.075 0.000 1.164 307 G CA 0.988 46.046 45.100 -0.070 0.000 0.768 307 G HN 0.509 nan 8.290 nan 0.000 0.560 308 G N 0.759 109.506 108.800 -0.088 0.000 2.421 308 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 308 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 308 G C 1.832 176.679 174.900 -0.089 0.000 1.171 308 G CA 0.810 45.859 45.100 -0.085 0.000 0.775 308 G HN 0.428 nan 8.290 nan 0.000 0.543 309 L N -0.158 120.963 121.223 -0.169 0.000 2.017 309 L HA -0.021 4.318 4.340 -0.000 0.000 0.208 309 L C 2.908 179.696 176.870 -0.138 0.000 1.073 309 L CA 0.779 55.469 54.840 -0.250 0.000 0.745 309 L CB -0.369 41.400 42.059 -0.483 0.000 0.894 309 L HN 0.188 nan 8.230 nan 0.000 0.432 310 L N -1.420 119.756 121.223 -0.078 0.000 2.179 310 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 310 L C 2.595 179.462 176.870 -0.004 0.000 1.096 310 L CA 0.785 55.630 54.840 0.009 0.000 0.779 310 L CB -0.639 41.443 42.059 0.040 0.000 0.922 310 L HN 0.326 nan 8.230 nan 0.000 0.443 311 H N -0.674 118.301 119.070 -0.158 0.000 2.357 311 H HA -0.126 4.430 4.556 -0.000 0.000 0.301 311 H C 2.087 177.227 175.328 -0.312 0.000 1.082 311 H CA 1.606 57.499 56.048 -0.258 0.000 1.342 311 H CB 0.153 29.681 29.762 -0.391 0.000 1.389 311 H HN 0.233 nan 8.280 nan 0.000 0.511 312 H N -0.399 118.496 119.070 -0.292 0.000 2.548 312 H HA 0.272 4.827 4.556 -0.000 0.000 0.265 312 H C 2.160 177.393 175.328 -0.159 0.000 0.969 312 H CA 0.625 56.425 56.048 -0.413 0.000 1.155 312 H CB -0.105 29.231 29.762 -0.711 0.000 1.394 312 H HN 0.547 nan 8.280 nan 0.000 0.570 313 A N 2.235 125.079 122.820 0.041 0.000 1.915 313 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 313 A C -0.118 177.561 177.584 0.160 0.000 1.198 313 A CA 1.651 53.784 52.037 0.161 0.000 0.647 313 A CB -1.415 17.696 19.000 0.184 0.000 0.825 313 A HN 0.297 nan 8.150 nan 0.000 0.456 314 P HA -0.159 nan 4.420 nan 0.000 0.218 314 P C 1.704 179.078 177.300 0.124 0.000 1.146 314 P CA 2.087 65.241 63.100 0.090 0.000 0.813 314 P CB -0.078 31.638 31.700 0.028 0.000 0.778 315 S N -2.179 113.616 115.700 0.158 0.000 2.527 315 S HA 0.044 4.514 4.470 -0.000 0.000 0.227 315 S C 1.727 176.483 174.600 0.260 0.000 1.059 315 S CA -0.060 58.264 58.200 0.206 0.000 0.919 315 S CB -1.351 62.010 63.200 0.268 0.000 0.805 315 S HN -0.018 nan 8.310 nan 0.000 0.500 316 L N 2.299 123.714 121.223 0.320 0.000 2.079 316 L HA 0.122 4.462 4.340 -0.000 0.000 0.210 316 L C 2.063 179.145 176.870 0.353 0.000 1.081 316 L CA 1.633 56.697 54.840 0.374 0.000 0.752 316 L CB -0.812 41.456 42.059 0.348 0.000 0.896 316 L HN 0.387 nan 8.230 nan 0.000 0.433 317 L N -0.599 120.813 121.223 0.315 0.000 2.353 317 L HA -0.151 4.189 4.340 -0.000 0.000 0.220 317 L C 2.599 179.647 176.870 0.298 0.000 1.133 317 L CA 0.864 55.892 54.840 0.314 0.000 0.798 317 L CB -1.144 41.111 42.059 0.326 0.000 0.922 317 L HN 0.427 nan 8.230 nan 0.000 0.445 318 A N -0.047 122.903 122.820 0.217 0.000 2.024 318 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 318 A C 1.897 179.541 177.584 0.101 0.000 1.164 318 A CA 1.606 53.719 52.037 0.127 0.000 0.643 318 A CB -0.500 18.471 19.000 -0.047 0.000 0.806 318 A HN 0.415 nan 8.150 nan 0.000 0.451 319 F N -1.033 119.063 119.950 0.244 0.000 2.694 319 F HA 0.038 4.565 4.527 -0.000 0.000 0.292 319 F C 2.572 178.497 175.800 0.208 0.000 1.121 319 F CA 1.005 59.085 58.000 0.133 0.000 1.352 319 F CB 0.310 39.252 39.000 -0.096 0.000 1.107 319 F HN 0.298 nan 8.300 nan 0.000 0.597 320 T N -3.448 111.339 114.554 0.388 0.000 3.040 320 T HA 0.132 4.481 4.350 -0.000 0.000 0.252 320 T C 0.467 175.292 174.700 0.208 0.000 1.064 320 T CA 0.334 62.622 62.100 0.313 0.000 1.110 320 T CB -0.270 68.802 68.868 0.340 0.000 0.921 320 T HN -0.042 nan 8.240 nan 0.000 0.480 321 N N 2.437 121.254 118.700 0.194 0.000 2.791 321 N HA 0.348 5.087 4.740 -0.000 0.000 0.265 321 N C -2.588 173.027 175.510 0.177 0.000 1.580 321 N CA -1.362 51.730 53.050 0.070 0.000 0.809 321 N CB 1.978 40.382 38.487 -0.139 0.000 1.178 321 N HN 0.256 nan 8.380 nan 0.000 0.499 322 P HA 0.045 nan 4.420 nan 0.000 0.262 322 P C -0.282 177.135 177.300 0.195 0.000 1.304 322 P CA 0.363 63.643 63.100 0.300 0.000 0.859 322 P CB 0.217 32.197 31.700 0.468 0.000 1.310 323 T N -4.562 110.099 114.554 0.178 0.000 2.942 323 T HA 0.363 4.713 4.350 -0.000 0.000 0.289 323 T C 1.211 176.033 174.700 0.203 0.000 1.044 323 T CA -0.663 61.515 62.100 0.130 0.000 1.023 323 T CB 1.289 70.204 68.868 0.078 0.000 1.123 323 T HN -0.293 nan 8.240 nan 0.000 0.512 324 V N 1.577 121.567 119.914 0.127 0.000 2.343 324 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 324 V C 2.859 179.050 176.094 0.162 0.000 1.051 324 V CA 2.200 64.587 62.300 0.144 0.000 1.036 324 V CB -1.011 30.838 31.823 0.043 0.000 0.654 324 V HN 1.011 nan 8.190 nan 0.000 0.451 325 N N -0.005 118.736 118.700 0.070 0.000 2.289 325 N HA -0.160 4.580 4.740 -0.000 0.000 0.184 325 N C 1.912 177.432 175.510 0.017 0.000 1.016 325 N CA 1.388 54.453 53.050 0.025 0.000 0.872 325 N CB 0.042 38.515 38.487 -0.023 0.000 0.973 325 N HN 0.459 nan 8.380 nan 0.000 0.433 326 S N -0.067 115.627 115.700 -0.010 0.000 2.392 326 S HA -0.163 4.307 4.470 -0.000 0.000 0.232 326 S C 1.188 175.571 174.600 -0.362 0.000 1.041 326 S CA 1.234 59.304 58.200 -0.217 0.000 1.026 326 S CB -0.358 62.612 63.200 -0.383 0.000 0.845 326 S HN 0.505 nan 8.310 nan 0.000 0.465 327 Y N 0.640 120.966 120.300 0.043 0.000 2.511 327 Y HA 0.205 4.755 4.550 -0.000 0.000 0.279 327 Y C 1.999 177.922 175.900 0.039 0.000 1.157 327 Y CA 0.243 58.370 58.100 0.045 0.000 1.300 327 Y CB 0.005 38.490 38.460 0.041 0.000 1.052 327 Y HN 0.019 nan 8.280 nan 0.000 0.529 328 K N 0.246 120.703 120.400 0.095 0.000 2.296 328 K HA -0.036 4.284 4.320 -0.000 0.000 0.200 328 K C 2.087 178.701 176.600 0.024 0.000 1.048 328 K CA 0.533 56.855 56.287 0.059 0.000 0.966 328 K CB 0.030 32.548 32.500 0.031 0.000 0.754 328 K HN 0.165 nan 8.250 nan 0.000 0.466 329 R N 0.309 120.808 120.500 -0.002 0.000 2.127 329 R HA 0.091 4.431 4.340 -0.000 0.000 0.217 329 R C 0.253 176.572 176.300 0.031 0.000 1.074 329 R CA 0.519 56.615 56.100 -0.007 0.000 0.991 329 R CB 0.080 30.373 30.300 -0.011 0.000 0.895 329 R HN 0.080 nan 8.270 nan 0.000 0.450 330 L N 3.613 124.853 121.223 0.028 0.000 2.511 330 L HA 0.151 4.491 4.340 -0.000 0.000 0.239 330 L C -0.474 176.464 176.870 0.113 0.000 1.400 330 L CA -0.460 54.425 54.840 0.075 0.000 1.226 330 L CB 0.071 42.172 42.059 0.071 0.000 1.475 330 L HN 0.070 nan 8.230 nan 0.000 0.428 331 V N -1.628 118.353 119.914 0.111 0.000 2.962 331 V HA 0.704 4.824 4.120 -0.000 0.000 0.313 331 V C -2.561 173.567 176.094 0.055 0.000 1.099 331 V CA -2.308 60.060 62.300 0.113 0.000 0.971 331 V CB 1.885 33.792 31.823 0.140 0.000 1.028 331 V HN 0.057 nan 8.190 nan 0.000 0.430 332 P HA 0.465 nan 4.420 nan 0.000 0.275 332 P C 0.691 177.563 177.300 -0.714 0.000 1.227 332 P CA 1.184 64.029 63.100 -0.425 0.000 0.781 332 P CB 1.247 32.852 31.700 -0.159 0.000 0.906 333 G N 1.294 109.197 108.800 -1.496 0.000 2.175 333 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.182 333 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.182 333 G C -0.156 174.109 174.900 -1.058 0.000 1.003 333 G CA -0.354 44.041 45.100 -1.175 0.000 0.666 333 G HN 0.485 nan 8.290 nan 0.000 0.506 334 Y N 0.174 120.258 120.300 -0.359 0.000 2.738 334 Y HA 0.449 4.998 4.550 -0.000 0.000 0.249 334 Y C 1.035 176.952 175.900 0.027 0.000 1.153 334 Y CA -0.233 57.810 58.100 -0.096 0.000 1.165 334 Y CB 0.231 38.652 38.460 -0.064 0.000 1.235 334 Y HN 0.382 nan 8.280 nan 0.000 0.559 335 E N -0.513 119.818 120.200 0.218 0.000 2.791 335 E HA -0.210 4.140 4.350 -0.000 0.000 0.271 335 E C 0.106 176.859 176.600 0.256 0.000 1.044 335 E CA 0.516 57.072 56.400 0.261 0.000 0.814 335 E CB -1.224 28.566 29.700 0.149 0.000 1.400 335 E HN 0.398 nan 8.360 nan 0.000 0.423 336 A N 0.440 123.426 122.820 0.276 0.000 2.356 336 A HA 0.695 5.015 4.320 -0.000 0.000 0.323 336 A C -2.578 175.157 177.584 0.253 0.000 1.119 336 A CA -1.582 50.588 52.037 0.221 0.000 0.790 336 A CB 1.033 20.135 19.000 0.169 0.000 1.273 336 A HN -0.139 nan 8.150 nan 0.000 0.452 337 P HA 0.284 nan 4.420 nan 0.000 0.269 337 P C 0.223 177.642 177.300 0.198 0.000 1.209 337 P CA 0.096 63.302 63.100 0.176 0.000 0.776 337 P CB 0.343 32.112 31.700 0.116 0.000 0.876 338 I N -1.326 119.376 120.570 0.219 0.000 4.240 338 I HA 0.382 4.552 4.170 -0.000 0.000 0.331 338 I C -0.232 175.974 176.117 0.149 0.000 1.381 338 I CA -0.275 61.139 61.300 0.190 0.000 1.136 338 I CB -0.046 38.090 38.000 0.226 0.000 1.137 338 I HN 0.192 nan 8.210 nan 0.000 0.411 339 N N 0.736 119.517 118.700 0.134 0.000 3.020 339 N HA 0.387 5.127 4.740 -0.000 0.000 0.248 339 N C -1.141 174.440 175.510 0.118 0.000 1.480 339 N CA -0.936 52.181 53.050 0.111 0.000 0.874 339 N CB 0.768 39.306 38.487 0.084 0.000 1.433 339 N HN 0.073 nan 8.380 nan 0.000 0.530 340 L N 0.536 121.825 121.223 0.110 0.000 2.598 340 L HA 0.491 4.831 4.340 -0.000 0.000 0.241 340 L C -0.031 176.912 176.870 0.123 0.000 1.244 340 L CA -0.818 54.100 54.840 0.130 0.000 1.198 340 L CB -0.186 41.942 42.059 0.116 0.000 1.448 340 L HN 0.521 nan 8.230 nan 0.000 0.406 341 V N -0.778 119.208 119.914 0.121 0.000 2.769 341 V HA 0.598 4.718 4.120 -0.000 0.000 0.312 341 V C -0.749 175.454 176.094 0.182 0.000 1.061 341 V CA -0.699 61.671 62.300 0.117 0.000 0.931 341 V CB 1.847 33.685 31.823 0.026 0.000 1.010 341 V HN 0.426 nan 8.190 nan 0.000 0.433 342 Y N 2.496 122.811 120.300 0.025 0.000 2.420 342 Y HA 0.881 5.431 4.550 -0.000 0.000 0.334 342 Y C -0.112 175.814 175.900 0.043 0.000 1.094 342 Y CA -0.249 57.877 58.100 0.044 0.000 1.126 342 Y CB 1.935 40.428 38.460 0.056 0.000 1.217 342 Y HN 1.000 nan 8.280 nan 0.000 0.462 343 S N 2.900 118.590 115.700 -0.016 0.000 2.548 343 S HA 0.210 4.680 4.470 -0.000 0.000 0.278 343 S C -1.533 173.106 174.600 0.065 0.000 1.150 343 S CA -0.994 57.178 58.200 -0.047 0.000 0.907 343 S CB 1.092 64.248 63.200 -0.073 0.000 1.108 343 S HN 1.017 nan 8.310 nan 0.000 0.459 344 Q N 3.367 123.227 119.800 0.101 0.000 2.373 344 Q HA 0.515 4.855 4.340 -0.000 0.000 0.255 344 Q C 0.539 176.532 176.000 -0.012 0.000 0.980 344 Q CA -0.335 55.470 55.803 0.004 0.000 0.882 344 Q CB 0.416 29.072 28.738 -0.136 0.000 1.249 344 Q HN 0.845 nan 8.270 nan 0.000 0.438 345 R N 0.381 120.869 120.500 -0.019 0.000 3.994 345 R HA -0.213 4.127 4.340 -0.000 0.000 0.403 345 R C -0.886 175.394 176.300 -0.033 0.000 1.126 345 R CA 1.062 57.148 56.100 -0.023 0.000 1.143 345 R CB -1.040 29.243 30.300 -0.028 0.000 1.695 345 R HN 0.883 nan 8.270 nan 0.000 0.555 346 N N 0.635 119.314 118.700 -0.036 0.000 2.546 346 N HA 0.176 4.916 4.740 -0.000 0.000 0.238 346 N C 0.334 175.802 175.510 -0.070 0.000 0.984 346 N CA -0.266 52.748 53.050 -0.059 0.000 0.935 346 N CB 0.757 39.207 38.487 -0.062 0.000 1.122 346 N HN 0.203 nan 8.380 nan 0.000 0.510 347 R N 0.532 120.986 120.500 -0.077 0.000 2.323 347 R HA 0.013 4.353 4.340 -0.000 0.000 0.198 347 R C 1.270 177.540 176.300 -0.051 0.000 0.988 347 R CA 0.554 56.615 56.100 -0.065 0.000 1.041 347 R CB 0.220 30.491 30.300 -0.047 0.000 0.926 347 R HN 0.523 nan 8.270 nan 0.000 0.476 348 S N -1.017 114.592 115.700 -0.151 0.000 2.556 348 S HA 0.254 4.724 4.470 -0.000 0.000 0.216 348 S C 0.721 175.221 174.600 -0.166 0.000 0.970 348 S CA -0.369 57.645 58.200 -0.311 0.000 0.912 348 S CB 0.553 63.250 63.200 -0.838 0.000 0.790 348 S HN 0.194 nan 8.310 nan 0.000 0.504 349 A N 0.113 122.885 122.820 -0.080 0.000 2.252 349 A HA 0.621 4.941 4.320 -0.000 0.000 0.305 349 A C 1.373 178.985 177.584 0.047 0.000 1.097 349 A CA -0.369 51.659 52.037 -0.015 0.000 0.849 349 A CB 0.440 19.436 19.000 -0.008 0.000 1.142 349 A HN 0.401 nan 8.150 nan 0.000 0.499 350 C N -0.317 119.046 119.300 0.106 0.000 2.486 350 C HA 0.278 4.737 4.460 -0.000 0.000 0.279 350 C C 0.643 175.779 174.990 0.243 0.000 1.302 350 C CA 0.805 59.928 59.018 0.173 0.000 1.720 350 C CB -0.654 27.226 27.740 0.233 0.000 2.030 350 C HN 0.500 nan 8.230 nan 0.000 0.490 351 V N 2.494 122.551 119.914 0.238 0.000 2.407 351 V HA 0.392 4.512 4.120 -0.000 0.000 0.291 351 V C -0.179 176.007 176.094 0.153 0.000 1.018 351 V CA -0.417 62.021 62.300 0.230 0.000 0.842 351 V CB 1.223 33.191 31.823 0.242 0.000 0.996 351 V HN 0.414 nan 8.190 nan 0.000 0.426 352 R N 5.503 126.037 120.500 0.057 0.000 2.407 352 R HA 0.575 4.915 4.340 -0.000 0.000 0.303 352 R C -1.064 175.251 176.300 0.026 0.000 0.981 352 R CA -0.710 55.404 56.100 0.022 0.000 0.905 352 R CB 1.129 31.399 30.300 -0.051 0.000 1.099 352 R HN 0.544 nan 8.270 nan 0.000 0.459 353 I N 6.555 127.158 120.570 0.055 0.000 2.306 353 I HA 0.293 4.463 4.170 -0.000 0.000 0.288 353 I C -2.032 174.091 176.117 0.009 0.000 1.036 353 I CA -3.056 58.266 61.300 0.036 0.000 1.221 353 I CB 0.768 38.803 38.000 0.058 0.000 1.385 353 I HN 0.549 nan 8.210 nan 0.000 0.472 354 P HA 0.103 nan 4.420 nan 0.000 0.269 354 P C -0.296 177.020 177.300 0.026 0.000 1.209 354 P CA -0.263 62.864 63.100 0.044 0.000 0.776 354 P CB 1.013 32.781 31.700 0.114 0.000 0.876 355 I N 3.319 123.901 120.570 0.020 0.000 2.347 355 I HA 0.048 4.218 4.170 -0.000 0.000 0.294 355 I C 1.611 177.740 176.117 0.019 0.000 1.090 355 I CA 0.528 61.832 61.300 0.007 0.000 1.314 355 I CB -0.561 37.439 38.000 -0.001 0.000 1.423 355 I HN 0.457 nan 8.210 nan 0.000 0.503 356 T N 1.250 115.815 114.554 0.019 0.000 3.003 356 T HA 0.477 4.826 4.350 -0.000 0.000 0.261 356 T C 0.908 175.612 174.700 0.007 0.000 1.003 356 T CA 0.187 62.297 62.100 0.017 0.000 0.917 356 T CB 0.642 69.522 68.868 0.020 0.000 1.084 356 T HN 0.877 nan 8.240 nan 0.000 0.522 357 G N 2.000 110.809 108.800 0.014 0.000 2.527 357 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.227 357 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.227 357 G C 0.793 175.708 174.900 0.025 0.000 1.291 357 G CA 0.442 45.549 45.100 0.011 0.000 0.904 357 G HN 1.126 nan 8.290 nan 0.000 0.577 358 S N -0.275 115.417 115.700 -0.013 0.000 2.556 358 S HA 0.214 4.684 4.470 -0.000 0.000 0.216 358 S C 0.775 175.198 174.600 -0.295 0.000 0.970 358 S CA 0.965 59.137 58.200 -0.046 0.000 0.912 358 S CB 0.138 63.343 63.200 0.008 0.000 0.790 358 S HN 1.027 nan 8.310 nan 0.000 0.504 359 N N 3.826 122.386 118.700 -0.232 0.000 2.427 359 N HA 0.204 4.944 4.740 -0.000 0.000 0.269 359 N C -1.921 173.321 175.510 -0.447 0.000 1.235 359 N CA -1.794 51.094 53.050 -0.271 0.000 0.934 359 N CB 1.103 39.514 38.487 -0.127 0.000 1.121 359 N HN 0.053 nan 8.380 nan 0.000 0.480 360 P HA -0.081 nan 4.420 nan 0.000 0.220 360 P C 0.678 177.801 177.300 -0.296 0.000 1.148 360 P CA 1.265 63.929 63.100 -0.727 0.000 0.803 360 P CB 0.322 31.685 31.700 -0.562 0.000 0.782 361 K N -0.242 120.059 120.400 -0.165 0.000 2.148 361 K HA 0.002 4.322 4.320 -0.000 0.000 0.204 361 K C 1.985 178.655 176.600 0.116 0.000 1.050 361 K CA 1.376 57.699 56.287 0.060 0.000 0.942 361 K CB -0.458 32.167 32.500 0.207 0.000 0.724 361 K HN 0.066 nan 8.250 nan 0.000 0.446 362 A N 1.391 124.213 122.820 0.003 0.000 2.208 362 A HA -0.021 4.299 4.320 -0.000 0.000 0.209 362 A C 0.751 178.335 177.584 0.001 0.000 1.161 362 A CA 0.201 52.237 52.037 -0.001 0.000 0.782 362 A CB -0.037 18.956 19.000 -0.013 0.000 0.816 362 A HN 0.010 nan 8.150 nan 0.000 0.477 363 K N 1.574 121.979 120.400 0.009 0.000 2.416 363 K HA 0.243 4.563 4.320 -0.000 0.000 0.283 363 K C 0.304 176.909 176.600 0.009 0.000 1.037 363 K CA 0.293 56.607 56.287 0.044 0.000 0.995 363 K CB 0.081 32.662 32.500 0.135 0.000 0.938 363 K HN 0.653 nan 8.250 nan 0.000 0.475 364 R N 2.539 123.038 120.500 -0.003 0.000 2.728 364 R HA 0.394 4.733 4.340 -0.000 0.000 0.274 364 R C -1.567 174.705 176.300 -0.047 0.000 1.032 364 R CA -1.144 54.930 56.100 -0.044 0.000 0.866 364 R CB 0.126 30.406 30.300 -0.034 0.000 1.263 364 R HN 0.346 nan 8.270 nan 0.000 0.475 365 L N -1.606 119.556 121.223 -0.102 0.000 2.331 365 L HA 0.643 4.983 4.340 -0.000 0.000 0.275 365 L C -0.322 176.464 176.870 -0.141 0.000 1.022 365 L CA -0.503 54.285 54.840 -0.086 0.000 0.812 365 L CB 1.724 43.730 42.059 -0.089 0.000 1.257 365 L HN 0.774 nan 8.230 nan 0.000 0.435 366 E N 2.192 122.291 120.200 -0.168 0.000 2.102 366 E HA 0.242 4.592 4.350 -0.000 0.000 0.263 366 E C -1.659 174.935 176.600 -0.009 0.000 0.894 366 E CA -0.755 55.458 56.400 -0.312 0.000 0.746 366 E CB 0.865 30.235 29.700 -0.551 0.000 1.129 366 E HN 0.619 nan 8.360 nan 0.000 0.416 367 F N 4.975 124.873 119.950 -0.087 0.000 2.434 367 F HA 0.255 4.782 4.527 -0.000 0.000 0.358 367 F C 0.739 176.579 175.800 0.066 0.000 1.136 367 F CA -0.593 57.425 58.000 0.030 0.000 1.157 367 F CB 0.424 39.489 39.000 0.108 0.000 1.167 367 F HN 0.541 nan 8.300 nan 0.000 0.539 368 R N 2.028 122.485 120.500 -0.072 0.000 2.280 368 R HA -0.023 4.317 4.340 -0.000 0.000 0.195 368 R C 2.271 178.505 176.300 -0.109 0.000 0.935 368 R CA 0.684 56.717 56.100 -0.111 0.000 1.033 368 R CB 0.113 30.288 30.300 -0.207 0.000 0.964 368 R HN 0.616 nan 8.270 nan 0.000 0.489 369 S N 1.203 116.618 115.700 -0.474 0.000 2.368 369 S HA 0.019 4.489 4.470 -0.000 0.000 0.224 369 S C -1.619 172.824 174.600 -0.262 0.000 1.029 369 S CA 0.355 58.320 58.200 -0.390 0.000 0.988 369 S CB -0.521 62.382 63.200 -0.495 0.000 0.838 369 S HN 0.069 nan 8.310 nan 0.000 0.462 370 P HA 0.220 nan 4.420 nan 0.000 0.269 370 P C -0.871 176.452 177.300 0.039 0.000 1.215 370 P CA -0.010 63.062 63.100 -0.046 0.000 0.780 370 P CB 0.465 32.211 31.700 0.076 0.000 0.898 371 D N -1.590 118.853 120.400 0.072 0.000 2.585 371 D HA 0.317 4.956 4.640 -0.000 0.000 0.254 371 D C -0.190 176.190 176.300 0.134 0.000 1.067 371 D CA -0.735 53.320 54.000 0.093 0.000 1.090 371 D CB 0.213 41.049 40.800 0.059 0.000 1.408 371 D HN -0.009 nan 8.370 nan 0.000 0.554 372 S N -1.120 114.676 115.700 0.161 0.000 2.660 372 S HA 0.064 4.534 4.470 -0.000 0.000 0.227 372 S C 1.087 175.762 174.600 0.124 0.000 0.948 372 S CA 0.027 58.319 58.200 0.152 0.000 0.948 372 S CB -0.497 62.844 63.200 0.235 0.000 0.779 372 S HN 0.531 nan 8.310 nan 0.000 0.487 373 S N 0.430 116.207 115.700 0.129 0.000 2.631 373 S HA 0.389 4.859 4.470 -0.000 0.000 0.217 373 S C 0.957 175.634 174.600 0.127 0.000 0.958 373 S CA 0.081 58.352 58.200 0.119 0.000 0.920 373 S CB 0.340 63.600 63.200 0.101 0.000 0.776 373 S HN 0.474 nan 8.310 nan 0.000 0.517 374 G N 1.149 110.037 108.800 0.146 0.000 3.382 374 G HA2 0.372 4.332 3.960 -0.000 0.000 0.183 374 G HA3 0.372 4.332 3.960 -0.000 0.000 0.183 374 G C -1.267 173.729 174.900 0.161 0.000 1.246 374 G CA -0.528 44.698 45.100 0.211 0.000 0.828 374 G HN 0.298 nan 8.290 nan 0.000 0.728 375 N N 1.274 120.091 118.700 0.195 0.000 2.483 375 N HA 0.361 5.101 4.740 -0.000 0.000 0.267 375 N C -1.811 173.653 175.510 -0.076 0.000 0.998 375 N CA -1.846 51.267 53.050 0.105 0.000 0.918 375 N CB 2.882 41.496 38.487 0.212 0.000 1.215 375 N HN -0.023 nan 8.380 nan 0.000 0.500 376 P HA -0.089 nan 4.420 nan 0.000 0.219 376 P C 0.855 177.608 177.300 -0.912 0.000 1.150 376 P CA 1.113 63.725 63.100 -0.812 0.000 0.814 376 P CB 0.221 31.335 31.700 -0.976 0.000 0.787 377 Y N 0.271 120.327 120.300 -0.407 0.000 2.128 377 Y HA -0.140 4.410 4.550 -0.000 0.000 0.284 377 Y C 2.727 178.477 175.900 -0.250 0.000 1.154 377 Y CA 1.110 59.034 58.100 -0.293 0.000 1.149 377 Y CB -1.549 36.799 38.460 -0.186 0.000 0.976 377 Y HN -0.188 nan 8.280 nan 0.000 0.505 378 L N -1.029 120.161 121.223 -0.055 0.000 2.072 378 L HA -0.116 4.223 4.340 -0.000 0.000 0.205 378 L C 2.694 179.548 176.870 -0.028 0.000 1.079 378 L CA 0.883 55.642 54.840 -0.136 0.000 0.752 378 L CB -0.937 40.993 42.059 -0.216 0.000 0.906 378 L HN 0.221 nan 8.230 nan 0.000 0.436 379 A N 0.481 123.320 122.820 0.032 0.000 1.858 379 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 379 A C 2.066 179.856 177.584 0.343 0.000 1.190 379 A CA 1.494 53.655 52.037 0.207 0.000 0.617 379 A CB -0.727 18.402 19.000 0.215 0.000 0.827 379 A HN 0.265 nan 8.150 nan 0.000 0.443 380 F N 0.991 120.925 119.950 -0.027 0.000 2.134 380 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 380 F C 2.875 178.606 175.800 -0.114 0.000 1.097 380 F CA 0.967 58.811 58.000 -0.260 0.000 1.264 380 F CB -1.410 37.102 39.000 -0.812 0.000 1.001 380 F HN 0.165 nan 8.300 nan 0.000 0.479 381 S N 0.265 116.042 115.700 0.127 0.000 2.359 381 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 381 S C 2.387 177.147 174.600 0.266 0.000 1.035 381 S CA 1.193 59.479 58.200 0.143 0.000 1.018 381 S CB -0.733 62.459 63.200 -0.014 0.000 0.876 381 S HN 0.357 nan 8.310 nan 0.000 0.448 382 A N 1.464 124.430 122.820 0.244 0.000 1.902 382 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 382 A C 2.154 179.871 177.584 0.223 0.000 1.181 382 A CA 1.475 53.569 52.037 0.094 0.000 0.623 382 A CB -0.644 18.311 19.000 -0.074 0.000 0.818 382 A HN 0.471 nan 8.150 nan 0.000 0.443 383 M N -1.270 118.529 119.600 0.330 0.000 2.080 383 M HA -0.168 4.312 4.480 -0.000 0.000 0.260 383 M C 2.211 178.673 176.300 0.271 0.000 1.068 383 M CA 1.708 57.220 55.300 0.353 0.000 1.109 383 M CB -0.483 32.459 32.600 0.569 0.000 1.342 383 M HN 0.470 nan 8.290 nan 0.000 0.405 384 L N 0.453 121.914 121.223 0.396 0.000 2.017 384 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 384 L C 2.321 179.284 176.870 0.155 0.000 1.073 384 L CA 1.868 56.918 54.840 0.350 0.000 0.745 384 L CB -0.499 41.824 42.059 0.440 0.000 0.894 384 L HN 0.256 nan 8.230 nan 0.000 0.432 385 M N -0.559 119.147 119.600 0.178 0.000 2.149 385 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 385 M C 2.396 178.788 176.300 0.152 0.000 1.064 385 M CA 1.778 57.168 55.300 0.150 0.000 1.102 385 M CB -1.885 30.761 32.600 0.078 0.000 1.369 385 M HN 0.455 nan 8.290 nan 0.000 0.408 386 A N 0.086 122.978 122.820 0.120 0.000 1.897 386 A HA 0.074 4.393 4.320 -0.000 0.000 0.215 386 A C 2.473 179.965 177.584 -0.153 0.000 1.181 386 A CA 1.778 53.801 52.037 -0.022 0.000 0.620 386 A CB -1.372 17.608 19.000 -0.033 0.000 0.821 386 A HN 0.491 nan 8.150 nan 0.000 0.443 387 G N -0.145 108.375 108.800 -0.468 0.000 2.418 387 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 387 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 387 G C 1.544 176.144 174.900 -0.501 0.000 1.158 387 G CA 1.019 45.467 45.100 -1.088 0.000 0.771 387 G HN 0.415 nan 8.290 nan 0.000 0.545 388 L N 0.185 121.285 121.223 -0.205 0.000 2.093 388 L HA -0.032 4.307 4.340 -0.000 0.000 0.208 388 L C 2.501 179.402 176.870 0.051 0.000 1.085 388 L CA 1.371 56.223 54.840 0.021 0.000 0.755 388 L CB -0.361 41.797 42.059 0.164 0.000 0.904 388 L HN 0.203 nan 8.230 nan 0.000 0.435 389 D N 0.082 120.521 120.400 0.066 0.000 2.144 389 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 389 D C 2.131 178.451 176.300 0.033 0.000 0.984 389 D CA 1.305 55.364 54.000 0.099 0.000 0.834 389 D CB 0.033 40.945 40.800 0.187 0.000 0.955 389 D HN 0.213 nan 8.370 nan 0.000 0.465 390 G N 0.194 108.986 108.800 -0.014 0.000 2.418 390 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 390 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 390 G C 1.741 176.608 174.900 -0.055 0.000 1.158 390 G CA 0.685 45.749 45.100 -0.060 0.000 0.771 390 G HN 0.344 nan 8.290 nan 0.000 0.545 391 I N 0.161 120.734 120.570 0.005 0.000 2.202 391 I HA -0.094 4.076 4.170 -0.000 0.000 0.242 391 I C 2.693 178.788 176.117 -0.037 0.000 1.091 391 I CA 1.301 62.627 61.300 0.043 0.000 1.368 391 I CB -0.150 37.913 38.000 0.104 0.000 1.058 391 I HN 0.101 nan 8.210 nan 0.000 0.410 392 K N 0.784 121.175 120.400 -0.016 0.000 2.057 392 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 392 K C 1.422 177.984 176.600 -0.063 0.000 1.049 392 K CA 1.344 57.620 56.287 -0.018 0.000 0.931 392 K CB 0.063 32.580 32.500 0.027 0.000 0.714 392 K HN 0.273 nan 8.250 nan 0.000 0.440 393 N N 1.080 119.725 118.700 -0.091 0.000 2.268 393 N HA 0.006 4.746 4.740 -0.000 0.000 0.204 393 N C -0.826 174.546 175.510 -0.230 0.000 1.124 393 N CA 0.236 53.209 53.050 -0.129 0.000 0.838 393 N CB 0.588 39.009 38.487 -0.110 0.000 0.994 393 N HN 0.114 nan 8.380 nan 0.000 0.489 394 K N 0.960 121.144 120.400 -0.359 0.000 3.311 394 K HA -0.175 4.145 4.320 -0.000 0.000 0.270 394 K C -0.444 175.824 176.600 -0.553 0.000 0.927 394 K CA 0.418 56.234 56.287 -0.786 0.000 0.706 394 K CB -1.502 30.627 32.500 -0.618 0.000 1.418 394 K HN 0.352 nan 8.250 nan 0.000 0.459 395 I N 1.943 122.311 120.570 -0.337 0.000 2.517 395 I HA -0.017 4.152 4.170 -0.000 0.000 0.285 395 I C 0.998 177.096 176.117 -0.032 0.000 1.106 395 I CA 0.053 61.232 61.300 -0.202 0.000 1.402 395 I CB 0.430 38.279 38.000 -0.251 0.000 1.399 395 I HN 0.081 nan 8.210 nan 0.000 0.535 396 E N 8.658 128.851 120.200 -0.012 0.000 2.229 396 E HA 0.290 4.640 4.350 -0.000 0.000 0.283 396 E C -2.071 174.535 176.600 0.010 0.000 1.030 396 E CA -1.701 54.733 56.400 0.057 0.000 0.836 396 E CB 0.766 30.494 29.700 0.047 0.000 1.068 396 E HN 0.354 nan 8.360 nan 0.000 0.401 397 P HA 0.033 nan 4.420 nan 0.000 0.274 397 P C -0.315 177.033 177.300 0.079 0.000 1.231 397 P CA -0.352 62.759 63.100 0.018 0.000 0.790 397 P CB 0.663 32.317 31.700 -0.076 0.000 0.951 398 Q N 1.252 121.103 119.800 0.084 0.000 2.421 398 Q HA 0.419 4.759 4.340 -0.000 0.000 0.255 398 Q C -0.087 175.961 176.000 0.079 0.000 1.013 398 Q CA -0.832 55.008 55.803 0.062 0.000 0.895 398 Q CB 0.120 28.880 28.738 0.038 0.000 1.271 398 Q HN 0.499 nan 8.270 nan 0.000 0.460 399 A N 3.218 126.035 122.820 -0.005 0.000 2.565 399 A HA 0.182 4.502 4.320 -0.000 0.000 0.237 399 A C -1.848 175.598 177.584 -0.230 0.000 1.053 399 A CA -0.914 51.060 52.037 -0.105 0.000 0.755 399 A CB -0.731 18.196 19.000 -0.122 0.000 0.980 399 A HN 0.705 nan 8.150 nan 0.000 0.506 400 P HA 0.160 nan 4.420 nan 0.000 0.266 400 P C -0.741 176.309 177.300 -0.417 0.000 1.195 400 P CA 0.110 62.748 63.100 -0.769 0.000 0.768 400 P CB 0.499 31.367 31.700 -1.387 0.000 0.838 401 V N 3.516 123.260 119.914 -0.284 0.000 2.326 401 V HA 0.128 4.248 4.120 -0.000 0.000 0.281 401 V C 0.097 176.110 176.094 -0.135 0.000 1.015 401 V CA -0.273 61.925 62.300 -0.170 0.000 0.823 401 V CB 1.023 32.778 31.823 -0.114 0.000 1.009 401 V HN 0.396 nan 8.190 nan 0.000 0.436 402 D N 4.756 125.091 120.400 -0.108 0.000 2.896 402 D HA 0.313 4.953 4.640 -0.000 0.000 0.240 402 D C 0.171 176.431 176.300 -0.067 0.000 1.193 402 D CA 0.223 54.183 54.000 -0.066 0.000 0.983 402 D CB 0.359 41.146 40.800 -0.021 0.000 1.074 402 D HN 0.504 nan 8.370 nan 0.000 0.496 403 K N 0.096 120.445 120.400 -0.085 0.000 2.443 403 K HA 0.215 4.534 4.320 -0.000 0.000 0.251 403 K C -0.702 175.823 176.600 -0.125 0.000 0.972 403 K CA -0.985 55.250 56.287 -0.087 0.000 0.833 403 K CB 2.089 34.542 32.500 -0.078 0.000 1.317 403 K HN -0.133 nan 8.250 nan 0.000 0.441 404 D N 2.519 122.842 120.400 -0.127 0.000 2.348 404 D HA 0.032 4.672 4.640 -0.000 0.000 0.259 404 D C 0.462 176.628 176.300 -0.223 0.000 1.296 404 D CA 0.098 53.982 54.000 -0.193 0.000 0.931 404 D CB 0.483 41.207 40.800 -0.127 0.000 1.067 404 D HN 0.430 nan 8.370 nan 0.000 0.503 405 L N 3.734 124.738 121.223 -0.364 0.000 2.610 405 L HA -0.083 4.257 4.340 -0.000 0.000 0.232 405 L C 0.824 177.616 176.870 -0.130 0.000 1.149 405 L CA 0.246 54.936 54.840 -0.250 0.000 0.872 405 L CB -0.312 41.614 42.059 -0.222 0.000 0.992 405 L HN 0.458 nan 8.230 nan 0.000 0.447 406 Y N -1.267 119.021 120.300 -0.021 0.000 2.478 406 Y HA 0.092 4.642 4.550 -0.000 0.000 0.261 406 Y C 1.971 177.855 175.900 -0.027 0.000 1.127 406 Y CA -0.325 57.759 58.100 -0.026 0.000 1.288 406 Y CB 0.055 38.485 38.460 -0.051 0.000 1.084 406 Y HN 0.105 nan 8.280 nan 0.000 0.530 407 E N 0.412 120.660 120.200 0.080 0.000 2.476 407 E HA 0.191 4.541 4.350 -0.000 0.000 0.196 407 E C -0.047 176.565 176.600 0.019 0.000 1.029 407 E CA 0.032 56.456 56.400 0.040 0.000 0.896 407 E CB 0.249 29.958 29.700 0.014 0.000 1.012 407 E HN 0.364 nan 8.360 nan 0.000 0.475 408 L N 3.954 125.189 121.223 0.019 0.000 2.462 408 L HA 0.127 4.466 4.340 -0.000 0.000 0.272 408 L C -1.815 175.067 176.870 0.019 0.000 1.166 408 L CA -1.507 53.339 54.840 0.010 0.000 0.880 408 L CB -0.346 41.718 42.059 0.008 0.000 1.142 408 L HN -0.207 nan 8.230 nan 0.000 0.473 409 P HA 0.046 nan 4.420 nan 0.000 0.266 409 P C -2.056 175.254 177.300 0.018 0.000 1.195 409 P CA -1.269 61.839 63.100 0.014 0.000 0.768 409 P CB 0.057 31.762 31.700 0.008 0.000 0.838 410 P HA -0.230 nan 4.420 nan 0.000 0.217 410 P C 1.342 178.654 177.300 0.020 0.000 1.151 410 P CA 1.689 64.804 63.100 0.024 0.000 0.849 410 P CB -0.084 31.631 31.700 0.024 0.000 0.787 411 E N 0.821 121.030 120.200 0.015 0.000 2.204 411 E HA -0.185 4.164 4.350 -0.000 0.000 0.194 411 E C 1.549 178.156 176.600 0.011 0.000 0.989 411 E CA 1.224 57.631 56.400 0.012 0.000 0.824 411 E CB -0.665 29.041 29.700 0.009 0.000 0.756 411 E HN 0.348 nan 8.360 nan 0.000 0.477 412 E N 0.724 120.929 120.200 0.009 0.000 2.190 412 E HA 0.127 4.477 4.350 -0.000 0.000 0.191 412 E C 2.103 178.709 176.600 0.010 0.000 0.978 412 E CA 0.692 57.095 56.400 0.006 0.000 0.839 412 E CB 0.013 29.713 29.700 0.000 0.000 0.787 412 E HN 0.366 nan 8.360 nan 0.000 0.473 413 A N 1.734 124.565 122.820 0.017 0.000 1.892 413 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 413 A C 2.435 180.035 177.584 0.028 0.000 1.188 413 A CA 1.912 53.965 52.037 0.026 0.000 0.631 413 A CB -0.910 18.113 19.000 0.038 0.000 0.822 413 A HN 0.300 nan 8.150 nan 0.000 0.447 414 A N 0.259 123.094 122.820 0.025 0.000 2.032 414 A HA -0.137 4.183 4.320 -0.000 0.000 0.221 414 A C 2.312 179.909 177.584 0.021 0.000 1.165 414 A CA 2.333 54.385 52.037 0.025 0.000 0.645 414 A CB -1.005 18.008 19.000 0.021 0.000 0.807 414 A HN 1.194 nan 8.150 nan 0.000 0.453 415 S N -1.193 114.516 115.700 0.016 0.000 2.607 415 S HA 0.307 4.777 4.470 -0.000 0.000 0.224 415 S C 0.363 174.971 174.600 0.013 0.000 0.969 415 S CA -0.052 58.156 58.200 0.012 0.000 0.927 415 S CB -0.588 62.616 63.200 0.005 0.000 0.772 415 S HN 0.396 nan 8.310 nan 0.000 0.533 416 I N 1.679 122.260 120.570 0.020 0.000 2.509 416 I HA 0.430 4.600 4.170 -0.000 0.000 0.293 416 I C -2.768 173.371 176.117 0.036 0.000 1.020 416 I CA -3.043 58.272 61.300 0.025 0.000 1.088 416 I CB 2.042 40.056 38.000 0.023 0.000 1.267 416 I HN -0.145 nan 8.210 nan 0.000 0.430 417 P HA 0.035 nan 4.420 nan 0.000 0.264 417 P C -0.929 176.409 177.300 0.062 0.000 1.193 417 P CA -0.158 62.970 63.100 0.047 0.000 0.763 417 P CB 0.324 32.052 31.700 0.047 0.000 0.810 418 Q N 1.255 121.094 119.800 0.065 0.000 2.317 418 Q HA 0.227 4.567 4.340 -0.000 0.000 0.229 418 Q C 0.480 176.540 176.000 0.100 0.000 0.984 418 Q CA -0.106 55.746 55.803 0.083 0.000 0.911 418 Q CB 0.173 28.957 28.738 0.077 0.000 1.217 418 Q HN 0.472 nan 8.270 nan 0.000 0.501 419 T N -1.040 113.589 114.554 0.124 0.000 2.900 419 T HA 0.320 4.669 4.350 -0.000 0.000 0.307 419 T C -2.207 172.586 174.700 0.156 0.000 1.065 419 T CA -1.370 60.823 62.100 0.155 0.000 1.105 419 T CB -0.152 68.821 68.868 0.175 0.000 0.979 419 T HN 0.238 nan 8.240 nan 0.000 0.544 420 P HA 0.164 nan 4.420 nan 0.000 0.267 420 P C 0.827 178.213 177.300 0.143 0.000 1.200 420 P CA -0.239 62.937 63.100 0.127 0.000 0.772 420 P CB 0.279 32.053 31.700 0.123 0.000 0.855 421 T N 0.154 114.726 114.554 0.030 0.000 2.937 421 T HA -0.042 4.308 4.350 -0.000 0.000 0.260 421 T C 0.616 175.277 174.700 -0.065 0.000 1.051 421 T CA 0.975 63.096 62.100 0.036 0.000 1.141 421 T CB -0.093 68.781 68.868 0.009 0.000 0.879 421 T HN 0.629 nan 8.240 nan 0.000 0.459 422 Q N -0.686 118.903 119.800 -0.352 0.000 2.482 422 Q HA 0.478 4.818 4.340 -0.000 0.000 0.286 422 Q C 0.247 175.732 176.000 -0.858 0.000 1.007 422 Q CA -0.799 54.679 55.803 -0.541 0.000 0.801 422 Q CB 1.126 29.740 28.738 -0.207 0.000 1.455 422 Q HN -0.016 nan 8.270 nan 0.000 0.398 423 L N 1.989 122.772 121.223 -0.734 0.000 2.079 423 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 423 L C 2.289 179.028 176.870 -0.218 0.000 1.081 423 L CA 3.017 57.606 54.840 -0.419 0.000 0.752 423 L CB -0.586 41.435 42.059 -0.064 0.000 0.896 423 L HN 0.922 nan 8.230 nan 0.000 0.433 424 S N -1.677 113.920 115.700 -0.172 0.000 2.399 424 S HA -0.197 4.273 4.470 -0.000 0.000 0.231 424 S C 1.719 176.266 174.600 -0.088 0.000 1.022 424 S CA 1.233 59.371 58.200 -0.102 0.000 0.983 424 S CB -0.721 62.432 63.200 -0.079 0.000 0.803 424 S HN 0.520 nan 8.310 nan 0.000 0.480 425 D N 1.734 122.059 120.400 -0.124 0.000 2.117 425 D HA -0.064 4.576 4.640 -0.000 0.000 0.198 425 D C 2.345 178.617 176.300 -0.046 0.000 0.982 425 D CA 1.652 55.604 54.000 -0.080 0.000 0.828 425 D CB -0.623 40.122 40.800 -0.091 0.000 0.967 425 D HN 0.541 nan 8.370 nan 0.000 0.464 426 V N -0.770 119.105 119.914 -0.064 0.000 2.548 426 V HA -0.128 3.992 4.120 -0.000 0.000 0.249 426 V C 2.217 178.332 176.094 0.036 0.000 1.055 426 V CA 0.816 63.130 62.300 0.022 0.000 1.065 426 V CB -0.469 31.410 31.823 0.094 0.000 0.681 426 V HN 0.012 nan 8.190 nan 0.000 0.462 427 I N 1.259 121.833 120.570 0.008 0.000 2.202 427 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 427 I C 2.442 178.576 176.117 0.028 0.000 1.091 427 I CA 1.865 63.175 61.300 0.017 0.000 1.368 427 I CB -1.367 36.626 38.000 -0.012 0.000 1.058 427 I HN 0.325 nan 8.210 nan 0.000 0.410 428 D N 0.519 120.928 120.400 0.015 0.000 2.116 428 D HA -0.229 4.411 4.640 -0.000 0.000 0.193 428 D C 2.296 178.626 176.300 0.051 0.000 0.998 428 D CA 1.274 55.289 54.000 0.027 0.000 0.836 428 D CB -0.214 40.592 40.800 0.010 0.000 0.951 428 D HN 0.088 nan 8.370 nan 0.000 0.449 429 R N 0.342 120.874 120.500 0.053 0.000 2.092 429 R HA -0.026 4.313 4.340 -0.000 0.000 0.231 429 R C 2.106 178.477 176.300 0.118 0.000 1.119 429 R CA 0.538 56.683 56.100 0.075 0.000 0.970 429 R CB -0.849 29.491 30.300 0.067 0.000 0.864 429 R HN 0.181 nan 8.270 nan 0.000 0.440 430 L N 1.010 122.303 121.223 0.116 0.000 2.042 430 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 430 L C 2.097 179.097 176.870 0.217 0.000 1.076 430 L CA 2.191 57.117 54.840 0.143 0.000 0.749 430 L CB -0.696 41.395 42.059 0.054 0.000 0.893 430 L HN 0.396 nan 8.230 nan 0.000 0.432 431 E N -0.744 119.549 120.200 0.154 0.000 2.085 431 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 431 E C 2.022 178.770 176.600 0.247 0.000 0.994 431 E CA 1.226 57.734 56.400 0.181 0.000 0.801 431 E CB -0.165 29.595 29.700 0.100 0.000 0.743 431 E HN 0.636 nan 8.360 nan 0.000 0.453 432 A N 0.198 123.113 122.820 0.159 0.000 1.970 432 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 432 A C 0.662 178.282 177.584 0.061 0.000 1.170 432 A CA 1.207 53.303 52.037 0.098 0.000 0.645 432 A CB 0.194 19.235 19.000 0.068 0.000 0.816 432 A HN 0.299 nan 8.150 nan 0.000 0.447 433 D N -1.322 119.142 120.400 0.106 0.000 2.375 433 D HA 0.271 4.910 4.640 -0.000 0.000 0.241 433 D C -0.271 176.117 176.300 0.147 0.000 1.361 433 D CA -0.451 53.585 54.000 0.060 0.000 0.995 433 D CB 0.373 41.240 40.800 0.111 0.000 1.312 433 D HN 0.426 nan 8.370 nan 0.000 0.576 434 H N 2.040 121.146 119.070 0.059 0.000 3.124 434 H HA 0.262 4.818 4.556 -0.000 0.000 0.250 434 H C 0.139 175.343 175.328 -0.206 0.000 1.184 434 H CA -0.342 55.641 56.048 -0.108 0.000 1.013 434 H CB 0.348 30.036 29.762 -0.123 0.000 1.891 434 H HN 0.202 nan 8.280 nan 0.000 0.687 435 E N 1.676 121.796 120.200 -0.134 0.000 2.110 435 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 435 E C 1.744 178.308 176.600 -0.060 0.000 0.988 435 E CA 1.399 57.749 56.400 -0.082 0.000 0.804 435 E CB -0.468 29.216 29.700 -0.027 0.000 0.745 435 E HN 0.784 nan 8.360 nan 0.000 0.458 436 Y N -0.081 120.144 120.300 -0.126 0.000 2.315 436 Y HA -0.082 4.468 4.550 -0.000 0.000 0.288 436 Y C 2.110 177.896 175.900 -0.189 0.000 1.154 436 Y CA 0.789 58.777 58.100 -0.186 0.000 1.229 436 Y CB -0.774 37.428 38.460 -0.430 0.000 0.980 436 Y HN -0.095 nan 8.280 nan 0.000 0.540 437 L N 0.684 121.405 121.223 -0.836 0.000 2.179 437 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 437 L C 2.446 179.177 176.870 -0.232 0.000 1.096 437 L CA 1.549 55.980 54.840 -0.683 0.000 0.779 437 L CB -0.687 40.728 42.059 -1.072 0.000 0.922 437 L HN 0.460 nan 8.230 nan 0.000 0.443 438 T N -3.803 110.652 114.554 -0.164 0.000 3.148 438 T HA 0.042 4.392 4.350 -0.000 0.000 0.253 438 T C 0.708 175.338 174.700 -0.117 0.000 1.134 438 T CA -0.225 61.836 62.100 -0.065 0.000 1.051 438 T CB -0.257 68.616 68.868 0.008 0.000 0.959 438 T HN 0.064 nan 8.240 nan 0.000 0.525 439 E N 1.662 121.752 120.200 -0.183 0.000 2.465 439 E HA 0.279 4.629 4.350 -0.000 0.000 0.260 439 E C 1.432 177.759 176.600 -0.455 0.000 0.980 439 E CA 0.905 57.159 56.400 -0.244 0.000 0.927 439 E CB 0.354 29.910 29.700 -0.241 0.000 0.934 439 E HN 0.565 nan 8.360 nan 0.000 0.459 440 G N 2.963 111.629 108.800 -0.224 0.000 2.166 440 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 440 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 440 G C 0.935 175.766 174.900 -0.114 0.000 0.986 440 G CA 0.639 45.669 45.100 -0.117 0.000 0.683 440 G HN 1.198 nan 8.290 nan 0.000 0.527 441 G N -2.275 106.450 108.800 -0.126 0.000 2.179 441 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.257 441 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.257 441 G C 1.334 176.152 174.900 -0.136 0.000 1.010 441 G CA 1.161 46.203 45.100 -0.098 0.000 0.736 441 G HN 1.466 nan 8.290 nan 0.000 0.513 442 V N -0.993 118.811 119.914 -0.185 0.000 2.261 442 V HA 0.081 4.200 4.120 -0.000 0.000 0.246 442 V C 1.530 177.434 176.094 -0.318 0.000 1.047 442 V CA 1.874 64.041 62.300 -0.222 0.000 1.015 442 V CB -0.419 31.282 31.823 -0.204 0.000 0.642 442 V HN 0.353 nan 8.190 nan 0.000 0.446 443 F N 0.252 120.048 119.950 -0.256 0.000 2.422 443 F HA 0.492 5.019 4.527 -0.000 0.000 0.333 443 F C 0.664 176.356 175.800 -0.179 0.000 1.095 443 F CA -0.556 57.295 58.000 -0.249 0.000 1.038 443 F CB 1.438 40.254 39.000 -0.307 0.000 1.156 443 F HN 0.022 nan 8.300 nan 0.000 0.483 444 T N -1.410 113.145 114.554 0.002 0.000 2.950 444 T HA 0.291 4.641 4.350 -0.000 0.000 0.288 444 T C 0.761 175.469 174.700 0.014 0.000 1.035 444 T CA -0.948 61.146 62.100 -0.011 0.000 1.028 444 T CB 1.323 70.154 68.868 -0.061 0.000 1.109 444 T HN 0.400 nan 8.240 nan 0.000 0.514 445 N N 1.500 120.210 118.700 0.018 0.000 2.166 445 N HA -0.134 4.605 4.740 -0.000 0.000 0.186 445 N C 1.670 177.185 175.510 0.008 0.000 1.019 445 N CA 1.554 54.614 53.050 0.017 0.000 0.856 445 N CB -0.403 38.115 38.487 0.052 0.000 0.993 445 N HN 0.859 nan 8.380 nan 0.000 0.426 446 D N 0.791 121.193 120.400 0.004 0.000 2.178 446 D HA -0.161 4.478 4.640 -0.000 0.000 0.201 446 D C 2.072 178.386 176.300 0.024 0.000 0.980 446 D CA 0.477 54.482 54.000 0.008 0.000 0.842 446 D CB -0.565 40.225 40.800 -0.018 0.000 0.948 446 D HN 0.270 nan 8.370 nan 0.000 0.472 447 L N 0.195 121.425 121.223 0.012 0.000 2.027 447 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 447 L C 2.737 179.720 176.870 0.189 0.000 1.074 447 L CA 0.873 55.754 54.840 0.068 0.000 0.745 447 L CB -0.165 41.902 42.059 0.014 0.000 0.898 447 L HN -0.084 nan 8.230 nan 0.000 0.433 448 I N -0.204 120.448 120.570 0.136 0.000 2.226 448 I HA -0.309 3.860 4.170 -0.000 0.000 0.245 448 I C 2.353 178.536 176.117 0.110 0.000 1.100 448 I CA 1.451 62.821 61.300 0.116 0.000 1.374 448 I CB -0.259 37.644 38.000 -0.162 0.000 1.057 448 I HN 0.321 nan 8.210 nan 0.000 0.413 449 E N 0.133 120.368 120.200 0.058 0.000 2.106 449 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 449 E C 2.119 178.798 176.600 0.132 0.000 0.984 449 E CA 1.745 58.188 56.400 0.073 0.000 0.806 449 E CB -0.064 29.667 29.700 0.052 0.000 0.750 449 E HN 0.445 nan 8.360 nan 0.000 0.458 450 T N 0.602 115.257 114.554 0.168 0.000 2.746 450 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 450 T C 1.245 176.116 174.700 0.286 0.000 1.039 450 T CA 0.861 63.086 62.100 0.208 0.000 1.142 450 T CB -0.316 68.672 68.868 0.199 0.000 0.866 450 T HN 0.405 nan 8.240 nan 0.000 0.444 451 W N 1.632 123.002 121.300 0.117 0.000 2.333 451 W HA -0.130 4.530 4.660 -0.000 0.000 0.316 451 W C 1.911 178.485 176.519 0.090 0.000 1.215 451 W CA 1.021 58.435 57.345 0.115 0.000 1.278 451 W CB -0.531 28.994 29.460 0.108 0.000 1.154 451 W HN 0.230 nan 8.180 nan 0.000 0.486 452 I N 0.358 121.053 120.570 0.208 0.000 2.163 452 I HA -0.369 3.801 4.170 -0.000 0.000 0.243 452 I C 2.847 178.981 176.117 0.028 0.000 1.085 452 I CA 1.855 63.199 61.300 0.074 0.000 1.347 452 I CB -0.903 37.142 38.000 0.075 0.000 1.044 452 I HN -0.110 nan 8.210 nan 0.000 0.408 453 S N 0.255 115.997 115.700 0.070 0.000 2.356 453 S HA -0.230 4.240 4.470 -0.000 0.000 0.223 453 S C 2.051 176.669 174.600 0.030 0.000 1.032 453 S CA 1.403 59.634 58.200 0.052 0.000 1.005 453 S CB -0.440 62.811 63.200 0.085 0.000 0.867 453 S HN 0.426 nan 8.310 nan 0.000 0.449 454 F N 2.304 122.210 119.950 -0.073 0.000 2.095 454 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 454 F C 2.223 177.911 175.800 -0.187 0.000 1.104 454 F CA 1.596 59.524 58.000 -0.120 0.000 1.232 454 F CB -0.165 38.750 39.000 -0.143 0.000 0.987 454 F HN 0.088 nan 8.300 nan 0.000 0.475 455 K N 0.375 120.712 120.400 -0.105 0.000 2.097 455 K HA -0.099 4.220 4.320 -0.000 0.000 0.205 455 K C 2.202 178.693 176.600 -0.183 0.000 1.050 455 K CA 1.271 57.445 56.287 -0.188 0.000 0.938 455 K CB -0.502 31.853 32.500 -0.242 0.000 0.718 455 K HN 0.341 nan 8.250 nan 0.000 0.442 456 R N 0.927 121.344 120.500 -0.137 0.000 2.066 456 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 456 R C 2.268 178.487 176.300 -0.135 0.000 1.131 456 R CA 1.481 57.516 56.100 -0.108 0.000 0.955 456 R CB -0.090 30.171 30.300 -0.065 0.000 0.851 456 R HN 0.307 nan 8.270 nan 0.000 0.432 457 E N -0.232 119.866 120.200 -0.170 0.000 2.112 457 E HA -0.028 4.322 4.350 -0.000 0.000 0.190 457 E C 1.400 177.852 176.600 -0.248 0.000 0.979 457 E CA 0.646 56.941 56.400 -0.175 0.000 0.814 457 E CB 0.186 29.797 29.700 -0.148 0.000 0.762 457 E HN 0.308 nan 8.360 nan 0.000 0.460 458 N N -0.132 118.319 118.700 -0.415 0.000 2.322 458 N HA 0.029 4.769 4.740 -0.000 0.000 0.181 458 N C 0.906 176.215 175.510 -0.335 0.000 1.088 458 N CA 0.523 53.278 53.050 -0.493 0.000 0.885 458 N CB 0.694 38.553 38.487 -1.045 0.000 1.013 458 N HN 0.210 nan 8.380 nan 0.000 0.472 459 E N 0.125 120.167 120.200 -0.265 0.000 3.100 459 E HA 0.247 4.597 4.350 -0.000 0.000 0.191 459 E C 1.673 178.208 176.600 -0.109 0.000 1.097 459 E CA -0.211 56.093 56.400 -0.160 0.000 1.339 459 E CB 0.437 30.061 29.700 -0.128 0.000 1.330 459 E HN -0.025 nan 8.360 nan 0.000 0.511 460 I N 2.064 122.571 120.570 -0.104 0.000 2.142 460 I HA -0.263 3.906 4.170 -0.000 0.000 0.240 460 I C 2.674 178.753 176.117 -0.063 0.000 1.078 460 I CA 1.521 62.777 61.300 -0.074 0.000 1.343 460 I CB -0.102 37.854 38.000 -0.074 0.000 1.046 460 I HN 0.173 nan 8.210 nan 0.000 0.405 461 E N 0.926 121.082 120.200 -0.074 0.000 2.047 461 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 461 E C -0.559 176.011 176.600 -0.051 0.000 0.987 461 E CA 1.146 57.512 56.400 -0.058 0.000 0.799 461 E CB -0.634 29.029 29.700 -0.062 0.000 0.752 461 E HN 0.272 nan 8.360 nan 0.000 0.449 462 P HA -0.165 nan 4.420 nan 0.000 0.216 462 P C 1.370 178.648 177.300 -0.037 0.000 1.150 462 P CA 1.093 64.160 63.100 -0.055 0.000 0.843 462 P CB 0.067 31.720 31.700 -0.078 0.000 0.787 463 V N -0.292 119.599 119.914 -0.039 0.000 2.379 463 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 463 V C 2.080 178.178 176.094 0.007 0.000 1.044 463 V CA 1.809 64.097 62.300 -0.019 0.000 1.036 463 V CB -1.232 30.579 31.823 -0.021 0.000 0.664 463 V HN 0.090 nan 8.190 nan 0.000 0.453 464 N N 0.793 119.492 118.700 -0.002 0.000 2.166 464 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 464 N C 1.714 177.234 175.510 0.016 0.000 1.019 464 N CA 1.858 54.913 53.050 0.008 0.000 0.856 464 N CB -0.355 38.127 38.487 -0.008 0.000 0.993 464 N HN 0.729 nan 8.380 nan 0.000 0.426 465 I N -2.432 118.143 120.570 0.009 0.000 3.251 465 I HA 0.112 4.281 4.170 -0.000 0.000 0.277 465 I C 0.068 176.207 176.117 0.036 0.000 1.268 465 I CA 0.253 61.563 61.300 0.016 0.000 1.449 465 I CB 0.060 38.062 38.000 0.004 0.000 1.083 465 I HN -0.194 nan 8.210 nan 0.000 0.464 466 R N 2.813 123.339 120.500 0.043 0.000 2.207 466 R HA 0.415 4.755 4.340 -0.000 0.000 0.334 466 R C -2.283 174.084 176.300 0.112 0.000 1.013 466 R CA -1.799 54.340 56.100 0.066 0.000 0.858 466 R CB 0.381 30.705 30.300 0.040 0.000 1.094 466 R HN 0.060 nan 8.270 nan 0.000 0.457 467 P HA -0.135 nan 4.420 nan 0.000 0.264 467 P C -0.724 176.754 177.300 0.297 0.000 1.183 467 P CA 0.398 63.647 63.100 0.249 0.000 0.763 467 P CB 0.399 32.317 31.700 0.363 0.000 0.807 468 H N 5.261 124.462 119.070 0.218 0.000 2.610 468 H HA 0.123 4.679 4.556 -0.000 0.000 0.336 468 H C -1.527 173.992 175.328 0.319 0.000 1.087 468 H CA -1.928 54.244 56.048 0.208 0.000 1.405 468 H CB 0.987 30.844 29.762 0.159 0.000 1.460 468 H HN 0.242 nan 8.280 nan 0.000 0.538 469 P HA -0.214 nan 4.420 nan 0.000 0.217 469 P C 1.073 178.668 177.300 0.491 0.000 1.151 469 P CA 1.306 64.601 63.100 0.325 0.000 0.849 469 P CB -0.135 31.639 31.700 0.124 0.000 0.787 470 Y N 0.631 121.239 120.300 0.514 0.000 2.421 470 Y HA -0.116 4.434 4.550 -0.000 0.000 0.292 470 Y C 1.986 177.926 175.900 0.067 0.000 1.136 470 Y CA 1.168 59.385 58.100 0.196 0.000 1.255 470 Y CB -0.521 37.939 38.460 0.000 0.000 0.991 470 Y HN 0.057 nan 8.280 nan 0.000 0.552 471 E N -1.100 119.207 120.200 0.179 0.000 2.204 471 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 471 E C 1.639 178.173 176.600 -0.110 0.000 0.990 471 E CA 1.183 57.601 56.400 0.029 0.000 0.821 471 E CB -0.282 29.525 29.700 0.178 0.000 0.750 471 E HN 0.484 nan 8.360 nan 0.000 0.477 472 F N 0.558 120.525 119.950 0.029 0.000 2.234 472 F HA -0.025 4.501 4.527 -0.000 0.000 0.296 472 F C 2.420 178.177 175.800 -0.071 0.000 1.089 472 F CA 0.698 58.728 58.000 0.049 0.000 1.343 472 F CB -0.252 38.787 39.000 0.065 0.000 1.040 472 F HN 0.003 nan 8.300 nan 0.000 0.498 473 A N 0.319 123.097 122.820 -0.069 0.000 1.902 473 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 473 A C 2.166 179.501 177.584 -0.415 0.000 1.181 473 A CA 1.517 53.385 52.037 -0.282 0.000 0.623 473 A CB -1.013 17.677 19.000 -0.517 0.000 0.818 473 A HN 0.397 nan 8.150 nan 0.000 0.443 474 L N -2.854 117.973 121.223 -0.661 0.000 2.131 474 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 474 L C 1.729 178.253 176.870 -0.577 0.000 1.087 474 L CA 1.021 55.382 54.840 -0.800 0.000 0.767 474 L CB -0.173 41.053 42.059 -1.387 0.000 0.917 474 L HN 0.527 nan 8.230 nan 0.000 0.441 475 Y N -4.104 116.127 120.300 -0.114 0.000 2.527 475 Y HA 0.080 4.630 4.550 -0.000 0.000 0.247 475 Y C 1.727 177.576 175.900 -0.085 0.000 1.138 475 Y CA -1.287 56.745 58.100 -0.112 0.000 1.228 475 Y CB -0.616 37.742 38.460 -0.169 0.000 1.252 475 Y HN -0.038 nan 8.280 nan 0.000 0.531 476 Y N 2.726 123.021 120.300 -0.008 0.000 2.151 476 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 476 Y C 1.539 177.453 175.900 0.023 0.000 1.166 476 Y CA 2.205 60.316 58.100 0.018 0.000 1.163 476 Y CB 0.028 38.541 38.460 0.088 0.000 0.974 476 Y HN 0.239 nan 8.280 nan 0.000 0.511 477 D N 0.033 120.483 120.400 0.083 0.000 2.395 477 D HA 0.061 4.701 4.640 -0.000 0.000 0.226 477 D C 0.579 176.873 176.300 -0.010 0.000 1.146 477 D CA 0.391 54.406 54.000 0.025 0.000 0.830 477 D CB -1.352 39.507 40.800 0.097 0.000 0.958 477 D HN 0.215 nan 8.370 nan 0.000 0.501 478 V N 0.000 119.901 119.914 -0.021 0.000 2.409 478 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 478 V CA 0.000 62.292 62.300 -0.012 0.000 1.235 478 V CB 0.000 31.814 31.823 -0.014 0.000 1.184 478 V HN 0.000 nan 8.190 nan 0.000 0.556