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 2e0i_1_D DATA FIRST_RESID 1 DATA SEQUENCE MDcIFIFRRD LRLEDNTGLN YALSEcDRVI PVFIADPRQL INNPYKSEFA DATA SEQUENCE VSFMINSLLE LDDELRKKGS RLNVFFGEAE KVVSRFFNKV DAIYVNEDYT DATA SEQUENCE PFSISRDEKI RKVCEENGIE FKAYEDYLLT PKSLFHHRNF TSFYNEVSKV DATA SEQUENCE KVREPETMEG SFDVTDSSMN VDFLLTFKKI ESPLFRGGRR EGLYLLHRNV DATA SEQUENCE DFRRRDYPAE NNNYRLSPHL KFGTISMREA YYTQKGKEEF VRELYWRDFF DATA SEQUENCE TLLAYYNPHV FGHCYRREYD NISWENNESY FEAWKEGRTG YPIIDAGMRM DATA SEQUENCE LNSTGYINGR VRMLVAFFLV KVLFVDWRWG ERYFATKLVD YDPAINNGNW DATA SEQUENCE QWIASTGVDY MFRVFNPWKQ QEKFDPEAKF IKEWVEELKD VPPSIIHSIY DATA SEQUENCE KTKVPGYPSP IVNWLERVNY VKSEYKNVKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.043 0.000 1.140 1 M CA 0.000 55.329 55.300 0.048 0.000 0.988 1 M CB 0.000 32.647 32.600 0.078 0.000 1.302 2 D N 2.273 122.705 120.400 0.054 0.000 2.454 2 D HA 0.538 5.178 4.640 0.001 0.000 0.225 2 D C -1.004 175.337 176.300 0.070 0.000 1.081 2 D CA 0.004 54.035 54.000 0.052 0.000 0.864 2 D CB 0.979 41.812 40.800 0.055 0.000 1.040 2 D HN 0.723 nan 8.370 nan 0.000 0.517 3 c N 1.575 120.219 118.600 0.072 0.000 2.771 3 c HA 0.780 5.351 4.570 0.001 0.000 0.333 3 c C -0.055 174.086 174.090 0.085 0.000 1.267 3 c CA -0.872 55.526 56.329 0.115 0.000 1.721 3 c CB 0.840 43.499 42.510 0.248 0.000 2.222 3 c HN 0.470 nan 8.230 nan 0.000 0.485 4 I N 1.044 121.669 120.570 0.092 0.000 2.530 4 I HA 0.515 4.685 4.170 0.001 0.000 0.297 4 I C -1.007 175.206 176.117 0.160 0.000 1.011 4 I CA -0.272 61.043 61.300 0.026 0.000 1.107 4 I CB 1.832 39.665 38.000 -0.279 0.000 1.285 4 I HN 0.726 nan 8.210 nan 0.000 0.436 5 F N 7.086 127.053 119.950 0.029 0.000 2.467 5 F HA 0.608 5.136 4.527 0.001 0.000 0.336 5 F C -0.897 174.900 175.800 -0.005 0.000 1.123 5 F CA -0.665 57.338 58.000 0.005 0.000 0.964 5 F CB 1.051 39.994 39.000 -0.094 0.000 1.136 5 F HN 0.150 nan 8.300 nan 0.000 0.447 6 I N 7.290 127.290 120.570 -0.950 0.000 2.330 6 I HA 0.246 4.417 4.170 0.001 0.000 0.289 6 I C -0.771 174.920 176.117 -0.710 0.000 1.001 6 I CA -0.544 60.443 61.300 -0.521 0.000 1.193 6 I CB 0.794 38.671 38.000 -0.205 0.000 1.345 6 I HN 0.430 nan 8.210 nan 0.000 0.461 7 F N 5.683 125.575 119.950 -0.097 0.000 2.418 7 F HA 0.366 4.893 4.527 0.001 0.000 0.341 7 F C 1.272 177.249 175.800 0.296 0.000 1.120 7 F CA 0.249 58.383 58.000 0.224 0.000 1.232 7 F CB 0.826 40.100 39.000 0.456 0.000 1.175 7 F HN 0.451 nan 8.300 nan 0.000 0.569 8 R N 0.309 121.135 120.500 0.542 0.000 3.969 8 R HA 0.238 4.579 4.340 0.001 0.000 0.120 8 R C 0.909 177.512 176.300 0.505 0.000 0.681 8 R CA -0.341 56.038 56.100 0.465 0.000 1.259 8 R CB 0.303 30.770 30.300 0.279 0.000 1.619 8 R HN 0.500 nan 8.270 nan 0.000 0.452 9 R N 1.228 122.003 120.500 0.458 0.000 2.527 9 R HA 0.072 4.412 4.340 0.001 0.000 0.402 9 R C -1.183 175.379 176.300 0.438 0.000 0.933 9 R CA 0.254 56.540 56.100 0.310 0.000 1.171 9 R CB 0.818 31.046 30.300 -0.120 0.000 1.612 9 R HN 0.148 nan 8.270 nan 0.000 0.546 10 D N 0.716 121.484 120.400 0.613 0.000 2.943 10 D HA 0.078 4.719 4.640 0.001 0.000 0.347 10 D C -0.016 176.656 176.300 0.620 0.000 1.305 10 D CA -0.357 54.012 54.000 0.615 0.000 0.870 10 D CB 0.084 41.236 40.800 0.586 0.000 1.081 10 D HN 0.143 nan 8.370 nan 0.000 0.492 11 L N 1.658 123.174 121.223 0.490 0.000 2.436 11 L HA 0.229 4.569 4.340 0.001 0.000 0.244 11 L C 0.590 177.608 176.870 0.247 0.000 1.396 11 L CA 0.089 55.128 54.840 0.332 0.000 1.217 11 L CB -1.062 41.120 42.059 0.206 0.000 1.420 11 L HN 0.260 nan 8.230 nan 0.000 0.434 12 R N 0.440 121.136 120.500 0.327 0.000 2.712 12 R HA 0.462 4.802 4.340 0.001 0.000 0.272 12 R C -0.619 175.856 176.300 0.292 0.000 1.032 12 R CA -1.036 55.204 56.100 0.234 0.000 0.874 12 R CB 0.986 31.419 30.300 0.221 0.000 1.256 12 R HN 0.077 nan 8.270 nan 0.000 0.468 13 L N -0.289 121.042 121.223 0.180 0.000 2.664 13 L HA 0.320 4.661 4.340 0.001 0.000 0.233 13 L C -0.077 176.863 176.870 0.117 0.000 1.113 13 L CA -0.051 54.895 54.840 0.176 0.000 0.896 13 L CB 0.332 42.459 42.059 0.113 0.000 1.163 13 L HN 0.541 nan 8.230 nan 0.000 0.497 14 E N 0.865 121.128 120.200 0.104 0.000 2.216 14 E HA 0.084 4.435 4.350 0.001 0.000 0.279 14 E C -0.470 176.173 176.600 0.071 0.000 0.997 14 E CA -0.263 56.181 56.400 0.073 0.000 0.817 14 E CB 1.437 31.181 29.700 0.073 0.000 1.096 14 E HN 0.014 nan 8.360 nan 0.000 0.393 15 D N 2.018 122.439 120.400 0.034 0.000 2.704 15 D HA -0.256 4.384 4.640 0.001 0.000 0.232 15 D C -0.652 175.668 176.300 0.034 0.000 1.183 15 D CA 0.834 54.850 54.000 0.027 0.000 0.647 15 D CB -1.432 39.404 40.800 0.060 0.000 1.013 15 D HN 0.482 nan 8.370 nan 0.000 0.415 16 N N -0.425 118.270 118.700 -0.007 0.000 2.558 16 N HA 0.277 5.017 4.740 0.001 0.000 0.242 16 N C 1.305 176.752 175.510 -0.105 0.000 0.979 16 N CA -0.101 52.937 53.050 -0.019 0.000 0.931 16 N CB 0.679 39.147 38.487 -0.032 0.000 1.122 16 N HN 0.028 nan 8.380 nan 0.000 0.508 17 T N 1.978 116.502 114.554 -0.050 0.000 2.536 17 T HA -0.212 4.139 4.350 0.001 0.000 0.263 17 T C 1.863 176.512 174.700 -0.084 0.000 1.115 17 T CA 1.846 63.918 62.100 -0.046 0.000 1.180 17 T CB -0.831 68.074 68.868 0.061 0.000 0.864 17 T HN 0.716 nan 8.240 nan 0.000 0.419 18 G N 1.238 110.041 108.800 0.004 0.000 2.469 18 G HA2 -0.188 3.773 3.960 0.001 0.000 0.219 18 G HA3 -0.188 3.773 3.960 0.001 0.000 0.219 18 G C 1.551 176.343 174.900 -0.180 0.000 1.150 18 G CA 1.072 46.219 45.100 0.078 0.000 0.763 18 G HN 0.414 nan 8.290 nan 0.000 0.561 19 L N 1.155 121.996 121.223 -0.638 0.000 2.083 19 L HA -0.008 4.332 4.340 0.001 0.000 0.209 19 L C 2.299 178.839 176.870 -0.549 0.000 1.083 19 L CA 1.808 56.012 54.840 -1.060 0.000 0.752 19 L CB -0.684 40.704 42.059 -1.119 0.000 0.899 19 L HN 0.083 nan 8.230 nan 0.000 0.433 20 N N -0.928 117.529 118.700 -0.405 0.000 2.058 20 N HA -0.238 4.502 4.740 0.001 0.000 0.191 20 N C 1.904 177.156 175.510 -0.429 0.000 1.037 20 N CA 2.024 54.842 53.050 -0.386 0.000 0.848 20 N CB -0.613 37.635 38.487 -0.399 0.000 1.021 20 N HN 0.470 nan 8.380 nan 0.000 0.422 21 Y N 1.360 121.399 120.300 -0.435 0.000 2.165 21 Y HA -0.161 4.390 4.550 0.001 0.000 0.286 21 Y C 2.457 178.055 175.900 -0.503 0.000 1.155 21 Y CA 1.292 59.146 58.100 -0.410 0.000 1.164 21 Y CB -0.431 37.682 38.460 -0.579 0.000 0.978 21 Y HN 0.071 nan 8.280 nan 0.000 0.513 22 A N 0.105 122.564 122.820 -0.602 0.000 1.883 22 A HA -0.194 4.127 4.320 0.001 0.000 0.217 22 A C 2.213 179.447 177.584 -0.583 0.000 1.186 22 A CA 1.759 53.173 52.037 -1.038 0.000 0.624 22 A CB -1.105 17.428 19.000 -0.778 0.000 0.822 22 A HN 0.491 nan 8.150 nan 0.000 0.444 23 L N 0.253 121.198 121.223 -0.464 0.000 2.093 23 L HA -0.161 4.180 4.340 0.001 0.000 0.208 23 L C 2.923 179.620 176.870 -0.287 0.000 1.085 23 L CA 1.606 56.207 54.840 -0.397 0.000 0.755 23 L CB -0.315 41.502 42.059 -0.404 0.000 0.904 23 L HN 0.629 nan 8.230 nan 0.000 0.435 24 S N -1.549 113.998 115.700 -0.254 0.000 2.458 24 S HA -0.046 4.425 4.470 0.001 0.000 0.223 24 S C 1.597 176.133 174.600 -0.106 0.000 1.019 24 S CA 0.231 58.328 58.200 -0.171 0.000 0.937 24 S CB -0.046 63.050 63.200 -0.173 0.000 0.788 24 S HN 0.444 nan 8.310 nan 0.000 0.511 25 E N 0.079 120.219 120.200 -0.101 0.000 2.340 25 E HA 0.157 4.507 4.350 0.001 0.000 0.194 25 E C 0.042 176.637 176.600 -0.010 0.000 0.996 25 E CA 0.232 56.630 56.400 -0.003 0.000 0.869 25 E CB 0.301 30.079 29.700 0.131 0.000 0.835 25 E HN 0.529 nan 8.360 nan 0.000 0.493 26 c N 0.407 118.955 118.600 -0.087 0.000 2.630 26 c HA 0.288 4.859 4.570 0.001 0.000 0.346 26 c C 1.307 175.353 174.090 -0.074 0.000 1.245 26 c CA -1.007 55.293 56.329 -0.049 0.000 1.804 26 c CB 1.504 43.987 42.510 -0.043 0.000 2.279 26 c HN 0.270 nan 8.230 nan 0.000 0.498 27 D N 0.157 120.532 120.400 -0.041 0.000 2.110 27 D HA 0.005 4.646 4.640 0.001 0.000 0.202 27 D C 0.499 176.760 176.300 -0.065 0.000 0.975 27 D CA 1.181 55.154 54.000 -0.045 0.000 0.839 27 D CB 0.185 40.975 40.800 -0.016 0.000 0.996 27 D HN 0.549 nan 8.370 nan 0.000 0.464 28 R N 0.053 120.525 120.500 -0.047 0.000 2.740 28 R HA 0.658 4.998 4.340 0.001 0.000 0.282 28 R C -0.994 175.274 176.300 -0.053 0.000 0.969 28 R CA -0.703 55.370 56.100 -0.046 0.000 0.918 28 R CB 2.933 33.237 30.300 0.007 0.000 1.175 28 R HN -0.223 nan 8.270 nan 0.000 0.464 29 V N 3.857 123.728 119.914 -0.072 0.000 2.525 29 V HA 0.392 4.512 4.120 0.001 0.000 0.299 29 V C -0.329 175.854 176.094 0.149 0.000 1.034 29 V CA -0.672 61.611 62.300 -0.028 0.000 0.863 29 V CB 1.944 33.648 31.823 -0.198 0.000 0.999 29 V HN 0.623 nan 8.190 nan 0.000 0.423 30 I N 7.780 128.455 120.570 0.175 0.000 2.297 30 I HA 0.326 4.497 4.170 0.001 0.000 0.291 30 I C -2.164 174.150 176.117 0.329 0.000 1.033 30 I CA -1.830 59.614 61.300 0.239 0.000 1.253 30 I CB 1.981 40.075 38.000 0.157 0.000 1.396 30 I HN 0.389 nan 8.210 nan 0.000 0.476 31 P HA 0.181 nan 4.420 nan 0.000 0.282 31 P C -0.664 176.947 177.300 0.518 0.000 1.274 31 P CA -0.020 63.456 63.100 0.627 0.000 0.770 31 P CB 1.597 33.676 31.700 0.631 0.000 0.867 32 V N 5.387 125.629 119.914 0.546 0.000 2.769 32 V HA 0.546 4.667 4.120 0.001 0.000 0.312 32 V C -0.593 175.851 176.094 0.583 0.000 1.061 32 V CA -0.658 61.937 62.300 0.492 0.000 0.931 32 V CB 2.134 34.164 31.823 0.346 0.000 1.010 32 V HN 0.477 nan 8.190 nan 0.000 0.433 33 F N 4.477 124.658 119.950 0.385 0.000 2.557 33 F HA 0.681 5.208 4.527 0.001 0.000 0.316 33 F C -0.851 175.148 175.800 0.331 0.000 1.141 33 F CA -0.561 57.636 58.000 0.329 0.000 0.922 33 F CB 1.341 40.488 39.000 0.246 0.000 1.194 33 F HN 0.335 nan 8.300 nan 0.000 0.443 34 I N 6.196 126.433 120.570 -0.555 0.000 2.330 34 I HA 0.436 4.607 4.170 0.001 0.000 0.289 34 I C -0.029 175.784 176.117 -0.507 0.000 1.001 34 I CA -0.854 60.273 61.300 -0.288 0.000 1.193 34 I CB 1.554 39.478 38.000 -0.127 0.000 1.345 34 I HN 0.780 nan 8.210 nan 0.000 0.461 35 A N 5.367 128.182 122.820 -0.009 0.000 2.410 35 A HA 0.152 4.473 4.320 0.001 0.000 0.292 35 A C -0.234 177.323 177.584 -0.045 0.000 1.232 35 A CA -0.206 51.949 52.037 0.197 0.000 0.893 35 A CB -0.092 19.349 19.000 0.734 0.000 1.131 35 A HN 0.666 nan 8.150 nan 0.000 0.530 36 D N 4.749 125.075 120.400 -0.124 0.000 2.317 36 D HA 0.264 4.904 4.640 0.001 0.000 0.234 36 D C -1.420 174.785 176.300 -0.160 0.000 1.112 36 D CA -1.946 51.945 54.000 -0.182 0.000 0.840 36 D CB 1.622 42.393 40.800 -0.049 0.000 1.078 36 D HN 0.256 nan 8.370 nan 0.000 0.486 37 P HA -0.157 nan 4.420 nan 0.000 0.218 37 P C 1.018 178.318 177.300 0.001 0.000 1.146 37 P CA 0.823 63.904 63.100 -0.031 0.000 0.813 37 P CB 0.463 32.147 31.700 -0.026 0.000 0.778 38 R N -0.338 120.152 120.500 -0.018 0.000 2.148 38 R HA -0.058 4.283 4.340 0.001 0.000 0.227 38 R C 2.503 178.750 176.300 -0.088 0.000 1.103 38 R CA 1.203 57.299 56.100 -0.006 0.000 0.983 38 R CB -0.291 30.062 30.300 0.088 0.000 0.874 38 R HN 0.393 nan 8.270 nan 0.000 0.451 39 Q N -0.438 119.300 119.800 -0.104 0.000 2.349 39 Q HA 0.119 4.459 4.340 0.001 0.000 0.209 39 Q C 1.791 177.743 176.000 -0.081 0.000 0.920 39 Q CA 0.524 56.245 55.803 -0.136 0.000 0.901 39 Q CB 0.503 29.162 28.738 -0.131 0.000 1.021 39 Q HN 0.272 nan 8.270 nan 0.000 0.519 40 L N -0.054 121.111 121.223 -0.097 0.000 2.463 40 L HA 0.245 4.585 4.340 0.001 0.000 0.219 40 L C 0.478 177.358 176.870 0.018 0.000 1.088 40 L CA 0.261 55.013 54.840 -0.147 0.000 0.849 40 L CB 0.570 42.291 42.059 -0.565 0.000 1.012 40 L HN 0.065 nan 8.230 nan 0.000 0.468 41 I N 0.696 121.313 120.570 0.079 0.000 2.418 41 I HA 0.235 4.405 4.170 0.001 0.000 0.287 41 I C -0.497 175.667 176.117 0.079 0.000 1.008 41 I CA -0.605 60.778 61.300 0.138 0.000 1.104 41 I CB 1.434 39.571 38.000 0.228 0.000 1.264 41 I HN 0.122 nan 8.210 nan 0.000 0.438 42 N N 3.586 122.321 118.700 0.060 0.000 2.727 42 N HA -0.205 4.535 4.740 0.001 0.000 0.251 42 N C -0.669 174.852 175.510 0.017 0.000 1.040 42 N CA 0.484 53.554 53.050 0.033 0.000 0.712 42 N CB -1.019 37.491 38.487 0.038 0.000 0.912 42 N HN 0.673 nan 8.380 nan 0.000 0.545 43 N N 0.780 119.484 118.700 0.007 0.000 2.469 43 N HA 0.369 5.110 4.740 0.001 0.000 0.253 43 N C -1.679 173.827 175.510 -0.007 0.000 0.970 43 N CA -1.970 51.082 53.050 0.004 0.000 0.940 43 N CB 1.273 39.752 38.487 -0.013 0.000 1.128 43 N HN -0.076 nan 8.380 nan 0.000 0.503 44 P HA -0.044 nan 4.420 nan 0.000 0.222 44 P C -0.004 177.131 177.300 -0.274 0.000 1.147 44 P CA 1.215 64.242 63.100 -0.121 0.000 0.790 44 P CB 0.027 31.657 31.700 -0.117 0.000 0.780 45 Y N -1.038 119.180 120.300 -0.137 0.000 2.571 45 Y HA 0.189 4.740 4.550 0.001 0.000 0.275 45 Y C 1.126 176.866 175.900 -0.268 0.000 1.179 45 Y CA -0.480 57.485 58.100 -0.225 0.000 1.242 45 Y CB 0.003 38.344 38.460 -0.198 0.000 1.126 45 Y HN -0.174 nan 8.280 nan 0.000 0.524 46 K N 1.024 121.381 120.400 -0.071 0.000 2.174 46 K HA 0.348 4.669 4.320 0.001 0.000 0.275 46 K C -0.235 176.310 176.600 -0.092 0.000 1.015 46 K CA -0.233 56.021 56.287 -0.054 0.000 0.933 46 K CB 1.018 33.504 32.500 -0.023 0.000 1.025 46 K HN 0.053 nan 8.250 nan 0.000 0.463 47 S N 2.674 118.348 115.700 -0.043 0.000 2.473 47 S HA 0.165 4.635 4.470 0.001 0.000 0.307 47 S C 0.470 175.056 174.600 -0.024 0.000 1.094 47 S CA -0.704 57.468 58.200 -0.045 0.000 1.070 47 S CB 1.430 64.647 63.200 0.028 0.000 1.019 47 S HN 0.722 nan 8.310 nan 0.000 0.480 48 E N 3.512 123.634 120.200 -0.131 0.000 2.072 48 E HA -0.049 4.301 4.350 0.001 0.000 0.191 48 E C 1.212 177.783 176.600 -0.048 0.000 0.985 48 E CA 1.226 57.540 56.400 -0.143 0.000 0.801 48 E CB -0.290 29.238 29.700 -0.288 0.000 0.750 48 E HN 0.800 nan 8.360 nan 0.000 0.452 49 F N 1.301 121.265 119.950 0.023 0.000 2.095 49 F HA -0.144 4.383 4.527 0.001 0.000 0.298 49 F C 2.485 178.316 175.800 0.052 0.000 1.104 49 F CA 1.014 59.040 58.000 0.044 0.000 1.232 49 F CB -1.211 37.811 39.000 0.036 0.000 0.987 49 F HN -0.004 nan 8.300 nan 0.000 0.475 50 A N -0.076 122.896 122.820 0.254 0.000 1.908 50 A HA -0.139 4.182 4.320 0.001 0.000 0.218 50 A C 2.414 180.069 177.584 0.118 0.000 1.181 50 A CA 2.023 54.190 52.037 0.216 0.000 0.627 50 A CB -1.258 17.925 19.000 0.305 0.000 0.818 50 A HN 0.196 nan 8.150 nan 0.000 0.445 51 V N -0.233 119.744 119.914 0.105 0.000 2.358 51 V HA -0.208 3.912 4.120 0.001 0.000 0.246 51 V C 2.776 178.870 176.094 -0.001 0.000 1.047 51 V CA 2.259 64.583 62.300 0.040 0.000 1.035 51 V CB -0.809 31.047 31.823 0.056 0.000 0.658 51 V HN 0.561 nan 8.190 nan 0.000 0.452 52 S N -0.206 115.527 115.700 0.055 0.000 2.368 52 S HA -0.200 4.270 4.470 0.001 0.000 0.225 52 S C 1.801 176.396 174.600 -0.009 0.000 1.030 52 S CA 1.841 60.065 58.200 0.041 0.000 0.999 52 S CB -0.482 62.784 63.200 0.110 0.000 0.844 52 S HN 0.583 nan 8.310 nan 0.000 0.459 53 F N 1.980 121.838 119.950 -0.153 0.000 2.134 53 F HA -0.076 4.451 4.527 0.001 0.000 0.299 53 F C 2.262 177.786 175.800 -0.461 0.000 1.097 53 F CA 1.552 59.397 58.000 -0.259 0.000 1.264 53 F CB -0.361 38.470 39.000 -0.282 0.000 1.001 53 F HN 0.150 nan 8.300 nan 0.000 0.479 54 M N -0.270 119.104 119.600 -0.377 0.000 2.099 54 M HA -0.179 4.301 4.480 0.001 0.000 0.262 54 M C 1.963 178.047 176.300 -0.359 0.000 1.067 54 M CA 1.688 56.611 55.300 -0.629 0.000 1.124 54 M CB -0.273 31.874 32.600 -0.755 0.000 1.353 54 M HN 0.111 nan 8.290 nan 0.000 0.410 55 I N 1.139 121.561 120.570 -0.245 0.000 2.179 55 I HA -0.309 3.861 4.170 0.001 0.000 0.242 55 I C 2.024 178.014 176.117 -0.212 0.000 1.088 55 I CA 1.448 62.631 61.300 -0.196 0.000 1.357 55 I CB -2.156 35.787 38.000 -0.095 0.000 1.051 55 I HN 0.398 nan 8.210 nan 0.000 0.409 56 N N 1.103 119.670 118.700 -0.221 0.000 2.104 56 N HA -0.136 4.605 4.740 0.001 0.000 0.190 56 N C 2.013 177.363 175.510 -0.267 0.000 1.024 56 N CA 1.585 54.494 53.050 -0.235 0.000 0.853 56 N CB -0.323 38.000 38.487 -0.273 0.000 1.008 56 N HN 0.266 nan 8.380 nan 0.000 0.424 57 S N 0.949 116.446 115.700 -0.338 0.000 2.399 57 S HA 0.035 4.506 4.470 0.001 0.000 0.231 57 S C 2.097 176.570 174.600 -0.212 0.000 1.022 57 S CA 0.486 58.530 58.200 -0.259 0.000 0.983 57 S CB -0.099 62.975 63.200 -0.209 0.000 0.803 57 S HN 0.264 nan 8.310 nan 0.000 0.480 58 L N 0.808 121.873 121.223 -0.264 0.000 2.156 58 L HA -0.014 4.326 4.340 0.001 0.000 0.208 58 L C 2.120 178.854 176.870 -0.227 0.000 1.095 58 L CA 0.806 55.465 54.840 -0.302 0.000 0.770 58 L CB -0.437 41.363 42.059 -0.430 0.000 0.914 58 L HN 0.299 nan 8.230 nan 0.000 0.439 59 L N -0.646 120.464 121.223 -0.187 0.000 2.027 59 L HA -0.213 4.128 4.340 0.001 0.000 0.206 59 L C 2.581 179.372 176.870 -0.132 0.000 1.074 59 L CA 1.288 56.043 54.840 -0.141 0.000 0.745 59 L CB -0.477 41.509 42.059 -0.122 0.000 0.898 59 L HN 0.299 nan 8.230 nan 0.000 0.433 60 E N 0.293 120.411 120.200 -0.136 0.000 2.077 60 E HA -0.263 4.088 4.350 0.001 0.000 0.193 60 E C 2.204 178.734 176.600 -0.116 0.000 0.989 60 E CA 1.142 57.476 56.400 -0.110 0.000 0.800 60 E CB -0.012 29.631 29.700 -0.096 0.000 0.746 60 E HN 0.259 nan 8.360 nan 0.000 0.452 61 L N 1.422 122.555 121.223 -0.150 0.000 2.083 61 L HA -0.193 4.148 4.340 0.001 0.000 0.209 61 L C 1.855 178.601 176.870 -0.207 0.000 1.083 61 L CA 2.196 56.921 54.840 -0.192 0.000 0.752 61 L CB -0.411 41.476 42.059 -0.288 0.000 0.899 61 L HN 0.073 nan 8.230 nan 0.000 0.433 62 D N -1.055 119.235 120.400 -0.184 0.000 2.178 62 D HA -0.205 4.436 4.640 0.001 0.000 0.201 62 D C 1.596 177.824 176.300 -0.119 0.000 0.980 62 D CA 1.303 55.214 54.000 -0.149 0.000 0.842 62 D CB 0.027 40.758 40.800 -0.115 0.000 0.948 62 D HN 0.425 nan 8.370 nan 0.000 0.472 63 D N 0.134 120.471 120.400 -0.105 0.000 2.117 63 D HA -0.114 4.527 4.640 0.001 0.000 0.198 63 D C 1.955 178.204 176.300 -0.085 0.000 0.982 63 D CA 0.684 54.635 54.000 -0.081 0.000 0.828 63 D CB -0.251 40.508 40.800 -0.069 0.000 0.967 63 D HN 0.279 nan 8.370 nan 0.000 0.464 64 E N 0.421 120.561 120.200 -0.099 0.000 2.110 64 E HA -0.098 4.253 4.350 0.001 0.000 0.193 64 E C 2.404 178.920 176.600 -0.139 0.000 0.988 64 E CA 0.318 56.659 56.400 -0.097 0.000 0.804 64 E CB -0.226 29.419 29.700 -0.092 0.000 0.745 64 E HN 0.373 nan 8.360 nan 0.000 0.458 65 L N 0.089 121.197 121.223 -0.192 0.000 2.156 65 L HA -0.076 4.265 4.340 0.001 0.000 0.208 65 L C 2.529 179.318 176.870 -0.136 0.000 1.095 65 L CA 0.787 55.474 54.840 -0.254 0.000 0.770 65 L CB -0.188 41.705 42.059 -0.278 0.000 0.914 65 L HN 0.000 nan 8.230 nan 0.000 0.439 66 R N 0.204 120.650 120.500 -0.090 0.000 2.189 66 R HA -0.096 4.245 4.340 0.001 0.000 0.218 66 R C 1.706 177.987 176.300 -0.032 0.000 1.074 66 R CA 0.740 56.810 56.100 -0.048 0.000 0.991 66 R CB -0.039 30.235 30.300 -0.043 0.000 0.883 66 R HN 0.292 nan 8.270 nan 0.000 0.457 67 K N 0.435 120.811 120.400 -0.039 0.000 2.551 67 K HA 0.000 4.321 4.320 0.001 0.000 0.192 67 K C 0.647 177.247 176.600 -0.001 0.000 1.027 67 K CA 0.644 56.920 56.287 -0.019 0.000 1.059 67 K CB 0.355 32.841 32.500 -0.022 0.000 0.831 67 K HN 0.043 nan 8.250 nan 0.000 0.508 68 K N -0.178 120.222 120.400 0.001 0.000 2.592 68 K HA 0.113 4.434 4.320 0.001 0.000 0.203 68 K C 0.086 176.731 176.600 0.074 0.000 1.070 68 K CA 0.037 56.356 56.287 0.055 0.000 1.062 68 K CB 1.515 34.070 32.500 0.092 0.000 0.814 68 K HN 0.193 nan 8.250 nan 0.000 0.502 69 G N 1.783 110.608 108.800 0.041 0.000 2.323 69 G HA2 -0.267 3.694 3.960 0.001 0.000 0.292 69 G HA3 -0.267 3.694 3.960 0.001 0.000 0.292 69 G C -0.082 174.856 174.900 0.065 0.000 1.040 69 G CA 0.978 46.106 45.100 0.048 0.000 0.942 69 G HN 0.365 nan 8.290 nan 0.000 0.506 70 S N -0.892 114.832 115.700 0.040 0.000 2.973 70 S HA 0.937 5.408 4.470 0.001 0.000 0.317 70 S C -0.241 174.358 174.600 -0.002 0.000 1.196 70 S CA 0.393 58.623 58.200 0.049 0.000 0.894 70 S CB 1.381 64.632 63.200 0.085 0.000 1.292 70 S HN 1.664 nan 8.310 nan 0.000 0.614 71 R N -0.032 120.465 120.500 -0.006 0.000 2.828 71 R HA 0.490 4.831 4.340 0.001 0.000 0.280 71 R C -2.243 174.054 176.300 -0.005 0.000 1.020 71 R CA -0.881 55.203 56.100 -0.028 0.000 0.855 71 R CB -0.103 30.190 30.300 -0.011 0.000 1.278 71 R HN 0.491 nan 8.270 nan 0.000 0.495 72 L N 2.003 123.210 121.223 -0.026 0.000 2.410 72 L HA 0.316 4.656 4.340 0.001 0.000 0.273 72 L C -0.673 176.233 176.870 0.061 0.000 1.144 72 L CA 0.177 55.029 54.840 0.018 0.000 0.863 72 L CB 0.566 42.599 42.059 -0.043 0.000 1.140 72 L HN 0.557 nan 8.230 nan 0.000 0.463 73 N N 4.935 123.713 118.700 0.131 0.000 2.462 73 N HA 0.235 4.976 4.740 0.001 0.000 0.242 73 N C -1.034 174.504 175.510 0.047 0.000 1.010 73 N CA -0.321 52.765 53.050 0.059 0.000 0.939 73 N CB 1.558 40.149 38.487 0.173 0.000 1.127 73 N HN 0.335 nan 8.380 nan 0.000 0.509 74 V N 3.381 123.227 119.914 -0.113 0.000 2.539 74 V HA 0.527 4.647 4.120 0.001 0.000 0.292 74 V C -0.201 175.637 176.094 -0.428 0.000 1.045 74 V CA -0.388 61.906 62.300 -0.010 0.000 0.945 74 V CB 0.544 32.480 31.823 0.188 0.000 0.993 74 V HN 0.392 nan 8.190 nan 0.000 0.464 75 F N 3.104 123.100 119.950 0.077 0.000 2.611 75 F HA 0.700 5.228 4.527 0.001 0.000 0.324 75 F C -0.617 175.234 175.800 0.086 0.000 1.061 75 F CA -0.793 57.164 58.000 -0.073 0.000 0.954 75 F CB 2.036 40.929 39.000 -0.178 0.000 1.301 75 F HN 0.405 nan 8.300 nan 0.000 0.482 76 F N 0.699 120.703 119.950 0.090 0.000 2.556 76 F HA 0.811 5.339 4.527 0.001 0.000 0.314 76 F C -0.169 175.717 175.800 0.143 0.000 1.106 76 F CA -0.391 57.687 58.000 0.130 0.000 0.911 76 F CB 1.700 40.734 39.000 0.056 0.000 1.190 76 F HN 0.706 nan 8.300 nan 0.000 0.448 77 G N 4.034 112.369 108.800 -0.774 0.000 2.359 77 G HA2 0.063 4.023 3.960 0.001 0.000 0.303 77 G HA3 0.063 4.023 3.960 0.001 0.000 0.303 77 G C -1.731 172.980 174.900 -0.315 0.000 1.293 77 G CA -1.192 43.607 45.100 -0.502 0.000 0.964 77 G HN 0.692 nan 8.290 nan 0.000 0.531 78 E N 0.612 120.698 120.200 -0.191 0.000 2.324 78 E HA 0.429 4.779 4.350 0.001 0.000 0.271 78 E C 1.573 178.104 176.600 -0.115 0.000 1.028 78 E CA 0.191 56.518 56.400 -0.122 0.000 0.890 78 E CB 1.493 31.142 29.700 -0.084 0.000 1.004 78 E HN 0.941 nan 8.360 nan 0.000 0.431 79 A N 5.334 128.091 122.820 -0.104 0.000 1.906 79 A HA -0.355 3.965 4.320 0.001 0.000 0.222 79 A C 1.995 179.506 177.584 -0.123 0.000 1.282 79 A CA 2.350 54.324 52.037 -0.104 0.000 0.675 79 A CB -0.634 18.305 19.000 -0.102 0.000 0.838 79 A HN 0.851 nan 8.150 nan 0.000 0.469 80 E N 0.350 120.463 120.200 -0.146 0.000 2.070 80 E HA -0.271 4.079 4.350 0.001 0.000 0.197 80 E C 1.827 178.341 176.600 -0.143 0.000 1.004 80 E CA 1.779 58.084 56.400 -0.158 0.000 0.805 80 E CB -0.622 28.980 29.700 -0.164 0.000 0.744 80 E HN 0.732 nan 8.360 nan 0.000 0.451 81 K N 0.645 120.969 120.400 -0.126 0.000 2.147 81 K HA -0.034 4.287 4.320 0.001 0.000 0.205 81 K C 2.350 178.869 176.600 -0.136 0.000 1.049 81 K CA 1.145 57.360 56.287 -0.120 0.000 0.936 81 K CB -0.033 32.411 32.500 -0.093 0.000 0.722 81 K HN -0.019 nan 8.250 nan 0.000 0.446 82 V N 0.747 120.582 119.914 -0.131 0.000 2.270 82 V HA -0.215 3.905 4.120 0.001 0.000 0.245 82 V C 2.227 178.092 176.094 -0.382 0.000 1.043 82 V CA 1.398 63.611 62.300 -0.144 0.000 1.014 82 V CB -0.260 31.467 31.823 -0.161 0.000 0.645 82 V HN 0.060 nan 8.190 nan 0.000 0.447 83 V N -0.217 119.496 119.914 -0.335 0.000 2.282 83 V HA -0.315 3.805 4.120 0.001 0.000 0.249 83 V C 2.704 178.638 176.094 -0.267 0.000 1.057 83 V CA 2.563 64.691 62.300 -0.286 0.000 1.032 83 V CB -0.833 30.974 31.823 -0.028 0.000 0.645 83 V HN 0.618 nan 8.190 nan 0.000 0.447 84 S N -0.687 114.889 115.700 -0.206 0.000 2.359 84 S HA -0.227 4.243 4.470 0.001 0.000 0.224 84 S C 2.162 176.619 174.600 -0.240 0.000 1.035 84 S CA 1.712 59.804 58.200 -0.179 0.000 1.018 84 S CB -0.249 62.858 63.200 -0.153 0.000 0.876 84 S HN 0.566 nan 8.310 nan 0.000 0.448 85 R N -1.274 119.026 120.500 -0.333 0.000 2.115 85 R HA 0.036 4.377 4.340 0.001 0.000 0.226 85 R C 1.431 177.262 176.300 -0.782 0.000 1.100 85 R CA 1.496 57.262 56.100 -0.557 0.000 0.980 85 R CB -0.181 29.692 30.300 -0.711 0.000 0.875 85 R HN 0.502 nan 8.270 nan 0.000 0.445 86 F N -2.534 117.129 119.950 -0.477 0.000 2.699 86 F HA 0.171 4.699 4.527 0.001 0.000 0.295 86 F C 0.872 176.533 175.800 -0.230 0.000 1.052 86 F CA -0.204 57.530 58.000 -0.444 0.000 1.239 86 F CB 0.335 38.887 39.000 -0.747 0.000 1.018 86 F HN -0.173 nan 8.300 nan 0.000 0.627 87 F N 0.786 120.758 119.950 0.037 0.000 2.641 87 F HA 0.190 4.717 4.527 0.001 0.000 0.302 87 F C 1.336 177.138 175.800 0.004 0.000 1.098 87 F CA -1.006 57.001 58.000 0.012 0.000 1.318 87 F CB -1.882 37.102 39.000 -0.026 0.000 1.035 87 F HN -0.001 nan 8.300 nan 0.000 0.551 88 N N 1.166 119.928 118.700 0.104 0.000 2.334 88 N HA -0.226 4.515 4.740 0.001 0.000 0.187 88 N C 1.024 176.575 175.510 0.069 0.000 1.016 88 N CA 1.368 54.450 53.050 0.052 0.000 0.879 88 N CB -0.509 37.973 38.487 -0.008 0.000 0.965 88 N HN 0.271 nan 8.380 nan 0.000 0.438 89 K N -0.248 120.211 120.400 0.099 0.000 2.358 89 K HA 0.225 4.545 4.320 0.001 0.000 0.200 89 K C -0.109 176.547 176.600 0.095 0.000 1.030 89 K CA -0.238 56.100 56.287 0.085 0.000 1.097 89 K CB 0.833 33.380 32.500 0.079 0.000 0.862 89 K HN 0.040 nan 8.250 nan 0.000 0.534 90 V N 1.497 121.482 119.914 0.118 0.000 3.133 90 V HA -0.045 4.076 4.120 0.001 0.000 0.305 90 V C 0.603 176.745 176.094 0.080 0.000 1.084 90 V CA 0.403 62.761 62.300 0.097 0.000 1.089 90 V CB 1.435 33.306 31.823 0.081 0.000 1.073 90 V HN 0.140 nan 8.190 nan 0.000 0.477 91 D N 1.968 122.414 120.400 0.077 0.000 2.110 91 D HA 0.269 4.910 4.640 0.001 0.000 0.202 91 D C 0.304 176.650 176.300 0.078 0.000 0.975 91 D CA 1.675 55.719 54.000 0.074 0.000 0.839 91 D CB 0.032 40.879 40.800 0.079 0.000 0.996 91 D HN 0.753 nan 8.370 nan 0.000 0.464 92 A N -0.629 122.255 122.820 0.106 0.000 2.532 92 A HA 0.741 5.061 4.320 0.001 0.000 0.290 92 A C -1.419 176.242 177.584 0.129 0.000 1.143 92 A CA -0.552 51.540 52.037 0.092 0.000 0.728 92 A CB 1.414 20.476 19.000 0.104 0.000 1.317 92 A HN 0.059 nan 8.150 nan 0.000 0.414 93 I N 0.718 121.329 120.570 0.068 0.000 2.512 93 I HA 0.386 4.557 4.170 0.001 0.000 0.287 93 I C -1.650 174.475 176.117 0.013 0.000 1.069 93 I CA -0.285 61.097 61.300 0.137 0.000 1.056 93 I CB 1.832 39.959 38.000 0.212 0.000 1.229 93 I HN 0.641 nan 8.210 nan 0.000 0.429 94 Y N 5.534 125.868 120.300 0.056 0.000 2.446 94 Y HA 0.754 5.305 4.550 0.001 0.000 0.338 94 Y C 0.177 176.056 175.900 -0.034 0.000 1.055 94 Y CA -0.753 57.404 58.100 0.094 0.000 1.101 94 Y CB 2.037 40.687 38.460 0.317 0.000 1.221 94 Y HN 0.320 nan 8.280 nan 0.000 0.460 95 V N -0.971 118.995 119.914 0.086 0.000 3.230 95 V HA 0.588 4.709 4.120 0.001 0.000 0.302 95 V C -1.646 174.498 176.094 0.082 0.000 1.421 95 V CA -1.406 60.849 62.300 -0.075 0.000 1.065 95 V CB 2.287 34.035 31.823 -0.126 0.000 1.097 95 V HN 0.751 nan 8.190 nan 0.000 0.460 96 N N 1.524 120.236 118.700 0.020 0.000 2.446 96 N HA 0.432 5.173 4.740 0.001 0.000 0.265 96 N C -0.618 174.812 175.510 -0.135 0.000 0.975 96 N CA -0.683 52.323 53.050 -0.072 0.000 0.928 96 N CB 1.425 39.764 38.487 -0.246 0.000 1.160 96 N HN 0.959 nan 8.380 nan 0.000 0.495 97 E N 1.469 121.557 120.200 -0.187 0.000 2.436 97 E HA -0.014 4.337 4.350 0.001 0.000 0.262 97 E C -0.820 175.569 176.600 -0.352 0.000 1.063 97 E CA 0.026 56.278 56.400 -0.247 0.000 0.944 97 E CB 0.807 30.326 29.700 -0.301 0.000 0.950 97 E HN 0.349 nan 8.360 nan 0.000 0.444 98 D N 0.599 120.764 120.400 -0.392 0.000 2.654 98 D HA 0.229 4.870 4.640 0.001 0.000 0.255 98 D C -0.934 174.846 176.300 -0.867 0.000 1.101 98 D CA -0.813 52.912 54.000 -0.460 0.000 1.116 98 D CB 0.870 41.629 40.800 -0.068 0.000 1.348 98 D HN 0.565 nan 8.370 nan 0.000 0.609 99 Y N -0.593 119.717 120.300 0.018 0.000 2.719 99 Y HA 0.205 4.756 4.550 0.001 0.000 0.251 99 Y C 0.401 176.398 175.900 0.161 0.000 1.159 99 Y CA -0.520 57.590 58.100 0.017 0.000 1.166 99 Y CB 0.468 38.833 38.460 -0.157 0.000 1.219 99 Y HN 0.086 nan 8.280 nan 0.000 0.551 100 T N -4.060 110.591 114.554 0.161 0.000 2.940 100 T HA 0.350 4.700 4.350 0.001 0.000 0.288 100 T C -2.088 172.663 174.700 0.085 0.000 1.033 100 T CA -2.478 59.695 62.100 0.120 0.000 1.033 100 T CB 2.393 71.222 68.868 -0.065 0.000 1.079 100 T HN -0.286 nan 8.240 nan 0.000 0.496 101 P HA -0.140 nan 4.420 nan 0.000 0.217 101 P C 1.239 178.550 177.300 0.019 0.000 1.162 101 P CA 1.019 64.146 63.100 0.046 0.000 0.901 101 P CB -0.143 31.578 31.700 0.034 0.000 0.793 102 F N 0.042 119.921 119.950 -0.118 0.000 2.091 102 F HA -0.230 4.298 4.527 0.001 0.000 0.299 102 F C 2.495 178.251 175.800 -0.074 0.000 1.103 102 F CA 2.074 60.012 58.000 -0.103 0.000 1.228 102 F CB -0.846 38.072 39.000 -0.136 0.000 0.984 102 F HN -0.117 nan 8.300 nan 0.000 0.477 103 S N 0.261 115.950 115.700 -0.017 0.000 2.368 103 S HA -0.148 4.323 4.470 0.001 0.000 0.224 103 S C 2.047 176.564 174.600 -0.139 0.000 1.029 103 S CA 1.592 59.736 58.200 -0.094 0.000 0.988 103 S CB -0.598 62.611 63.200 0.016 0.000 0.838 103 S HN 0.449 nan 8.310 nan 0.000 0.462 104 I N 1.822 122.349 120.570 -0.071 0.000 2.252 104 I HA -0.130 4.040 4.170 0.001 0.000 0.245 104 I C 2.762 178.824 176.117 -0.091 0.000 1.102 104 I CA 1.417 62.693 61.300 -0.040 0.000 1.385 104 I CB -0.386 37.638 38.000 0.040 0.000 1.064 104 I HN 0.467 nan 8.210 nan 0.000 0.414 105 S N 0.851 116.466 115.700 -0.141 0.000 2.406 105 S HA -0.187 4.283 4.470 0.001 0.000 0.228 105 S C 2.183 176.639 174.600 -0.239 0.000 1.020 105 S CA 0.668 58.771 58.200 -0.162 0.000 0.965 105 S CB -0.433 62.678 63.200 -0.147 0.000 0.798 105 S HN 0.395 nan 8.310 nan 0.000 0.488 106 R N 1.144 121.421 120.500 -0.371 0.000 2.096 106 R HA -0.105 4.236 4.340 0.001 0.000 0.235 106 R C 1.050 177.189 176.300 -0.268 0.000 1.127 106 R CA 1.925 57.779 56.100 -0.411 0.000 0.968 106 R CB -0.440 29.484 30.300 -0.627 0.000 0.861 106 R HN 0.367 nan 8.270 nan 0.000 0.440 107 D N 0.125 120.413 120.400 -0.187 0.000 2.234 107 D HA -0.076 4.564 4.640 0.001 0.000 0.205 107 D C 1.573 177.769 176.300 -0.174 0.000 0.962 107 D CA 0.912 54.845 54.000 -0.113 0.000 0.855 107 D CB 0.062 40.906 40.800 0.073 0.000 0.951 107 D HN 0.389 nan 8.370 nan 0.000 0.500 108 E N 0.714 120.834 120.200 -0.134 0.000 2.072 108 E HA -0.127 4.223 4.350 0.001 0.000 0.191 108 E C 1.858 178.349 176.600 -0.181 0.000 0.985 108 E CA 0.775 57.102 56.400 -0.120 0.000 0.801 108 E CB 0.042 29.691 29.700 -0.085 0.000 0.750 108 E HN 0.263 nan 8.360 nan 0.000 0.452 109 K N 0.642 120.923 120.400 -0.197 0.000 2.057 109 K HA -0.109 4.211 4.320 0.001 0.000 0.207 109 K C 2.223 178.664 176.600 -0.264 0.000 1.049 109 K CA 1.019 57.186 56.287 -0.200 0.000 0.931 109 K CB -0.171 32.217 32.500 -0.186 0.000 0.714 109 K HN 0.151 nan 8.250 nan 0.000 0.440 110 I N 0.815 121.166 120.570 -0.366 0.000 2.286 110 I HA -0.278 3.892 4.170 0.001 0.000 0.248 110 I C 2.754 178.479 176.117 -0.654 0.000 1.115 110 I CA 1.080 62.072 61.300 -0.513 0.000 1.392 110 I CB -0.261 37.335 38.000 -0.674 0.000 1.065 110 I HN 0.177 nan 8.210 nan 0.000 0.418 111 R N 1.481 121.566 120.500 -0.692 0.000 2.073 111 R HA -0.189 4.151 4.340 0.001 0.000 0.234 111 R C 2.318 178.476 176.300 -0.237 0.000 1.134 111 R CA 1.564 57.386 56.100 -0.465 0.000 0.952 111 R CB -0.050 30.136 30.300 -0.191 0.000 0.850 111 R HN 0.235 nan 8.270 nan 0.000 0.433 112 K N -0.190 120.094 120.400 -0.193 0.000 2.009 112 K HA -0.135 4.185 4.320 0.001 0.000 0.210 112 K C 1.994 178.519 176.600 -0.125 0.000 1.049 112 K CA 1.838 58.047 56.287 -0.129 0.000 0.929 112 K CB -0.183 32.249 32.500 -0.113 0.000 0.714 112 K HN 0.075 nan 8.250 nan 0.000 0.440 113 V N 0.934 120.755 119.914 -0.155 0.000 2.469 113 V HA -0.312 3.809 4.120 0.001 0.000 0.251 113 V C 2.393 178.423 176.094 -0.108 0.000 1.064 113 V CA 1.451 63.674 62.300 -0.129 0.000 1.066 113 V CB -0.493 31.242 31.823 -0.147 0.000 0.667 113 V HN 0.449 nan 8.190 nan 0.000 0.461 114 C N -0.263 118.955 119.300 -0.137 0.000 2.466 114 C HA -0.101 4.360 4.460 0.001 0.000 0.278 114 C C 2.693 177.658 174.990 -0.041 0.000 1.288 114 C CA 0.864 59.834 59.018 -0.080 0.000 1.722 114 C CB -0.784 26.901 27.740 -0.092 0.000 2.017 114 C HN 0.619 nan 8.230 nan 0.000 0.488 115 E N 0.490 120.660 120.200 -0.050 0.000 2.106 115 E HA -0.159 4.192 4.350 0.001 0.000 0.192 115 E C 1.305 177.888 176.600 -0.029 0.000 0.984 115 E CA 0.859 57.241 56.400 -0.031 0.000 0.806 115 E CB -0.142 29.538 29.700 -0.034 0.000 0.750 115 E HN 0.684 nan 8.360 nan 0.000 0.458 116 E N 0.365 120.541 120.200 -0.040 0.000 2.320 116 E HA 0.081 4.431 4.350 0.001 0.000 0.189 116 E C 0.208 176.791 176.600 -0.029 0.000 1.100 116 E CA -0.085 56.294 56.400 -0.035 0.000 1.009 116 E CB 0.183 29.856 29.700 -0.044 0.000 1.145 116 E HN 0.183 nan 8.360 nan 0.000 0.454 117 N N -0.698 117.990 118.700 -0.020 0.000 1.899 117 N HA 0.011 4.751 4.740 0.001 0.000 0.223 117 N C 0.517 176.029 175.510 0.004 0.000 1.411 117 N CA 0.543 53.588 53.050 -0.009 0.000 0.737 117 N CB 1.634 40.116 38.487 -0.009 0.000 1.100 117 N HN 0.258 nan 8.380 nan 0.000 0.527 118 G N 2.096 110.897 108.800 0.002 0.000 2.221 118 G HA2 -0.258 3.703 3.960 0.001 0.000 0.265 118 G HA3 -0.258 3.703 3.960 0.001 0.000 0.265 118 G C -0.116 174.796 174.900 0.020 0.000 1.041 118 G CA 0.201 45.307 45.100 0.010 0.000 0.807 118 G HN 0.317 nan 8.290 nan 0.000 0.502 119 I N 0.204 120.787 120.570 0.022 0.000 2.336 119 I HA 0.311 4.481 4.170 0.001 0.000 0.292 119 I C 0.645 176.786 176.117 0.039 0.000 0.991 119 I CA -0.707 60.617 61.300 0.039 0.000 1.227 119 I CB 1.600 39.632 38.000 0.053 0.000 1.366 119 I HN 0.134 nan 8.210 nan 0.000 0.466 120 E N 5.297 125.513 120.200 0.027 0.000 2.290 120 E HA 0.127 4.477 4.350 0.001 0.000 0.277 120 E C -1.417 175.190 176.600 0.012 0.000 1.035 120 E CA -0.352 56.047 56.400 -0.003 0.000 0.873 120 E CB 0.877 30.549 29.700 -0.047 0.000 1.029 120 E HN 0.352 nan 8.360 nan 0.000 0.419 121 F N 5.238 125.087 119.950 -0.169 0.000 2.347 121 F HA 0.321 4.848 4.527 0.001 0.000 0.366 121 F C -0.858 174.773 175.800 -0.281 0.000 1.107 121 F CA -0.874 57.007 58.000 -0.199 0.000 1.058 121 F CB 0.521 39.437 39.000 -0.141 0.000 1.236 121 F HN 0.194 nan 8.300 nan 0.000 0.456 122 K N 5.917 125.812 120.400 -0.841 0.000 2.339 122 K HA 0.760 5.080 4.320 0.001 0.000 0.264 122 K C -0.880 175.139 176.600 -0.969 0.000 0.986 122 K CA -0.821 54.923 56.287 -0.904 0.000 0.866 122 K CB 1.732 33.721 32.500 -0.852 0.000 1.103 122 K HN 0.573 nan 8.250 nan 0.000 0.441 123 A N 3.532 125.747 122.820 -1.008 0.000 2.330 123 A HA 0.690 5.010 4.320 0.001 0.000 0.327 123 A C -1.385 175.751 177.584 -0.747 0.000 1.155 123 A CA -0.565 51.045 52.037 -0.712 0.000 0.803 123 A CB 0.459 19.113 19.000 -0.576 0.000 1.208 123 A HN 0.653 nan 8.150 nan 0.000 0.477 124 Y N 0.065 120.253 120.300 -0.187 0.000 2.570 124 Y HA 0.435 4.985 4.550 0.001 0.000 0.345 124 Y C 0.384 176.220 175.900 -0.106 0.000 1.014 124 Y CA -0.698 57.325 58.100 -0.130 0.000 1.063 124 Y CB 1.643 40.066 38.460 -0.063 0.000 1.272 124 Y HN 0.680 nan 8.280 nan 0.000 0.477 125 E N 0.776 121.045 120.200 0.116 0.000 2.289 125 E HA 0.129 4.480 4.350 0.001 0.000 0.278 125 E C -0.640 175.992 176.600 0.053 0.000 1.032 125 E CA 0.240 56.690 56.400 0.083 0.000 0.854 125 E CB 1.220 30.994 29.700 0.124 0.000 1.046 125 E HN 0.804 nan 8.360 nan 0.000 0.409 126 D N 1.247 121.614 120.400 -0.056 0.000 1.927 126 D HA -0.010 4.631 4.640 0.001 0.000 0.390 126 D C 0.636 176.923 176.300 -0.022 0.000 1.045 126 D CA -0.012 53.935 54.000 -0.088 0.000 0.947 126 D CB -0.165 40.513 40.800 -0.204 0.000 1.818 126 D HN 0.513 nan 8.370 nan 0.000 0.543 127 Y N 0.845 121.250 120.300 0.175 0.000 2.352 127 Y HA 0.120 4.670 4.550 0.001 0.000 0.292 127 Y C 0.711 176.680 175.900 0.116 0.000 1.136 127 Y CA 0.166 58.361 58.100 0.159 0.000 1.227 127 Y CB 0.142 38.720 38.460 0.197 0.000 0.991 127 Y HN -0.045 nan 8.280 nan 0.000 0.545 128 L N -0.093 121.268 121.223 0.230 0.000 2.379 128 L HA 0.084 4.425 4.340 0.001 0.000 0.269 128 L C 0.779 177.682 176.870 0.055 0.000 1.084 128 L CA -0.439 54.460 54.840 0.098 0.000 0.802 128 L CB 0.949 43.012 42.059 0.006 0.000 1.175 128 L HN 0.053 nan 8.230 nan 0.000 0.448 129 L N 0.792 122.014 121.223 -0.003 0.000 2.375 129 L HA 0.090 4.430 4.340 0.001 0.000 0.215 129 L C 0.951 177.800 176.870 -0.035 0.000 1.108 129 L CA 0.989 55.771 54.840 -0.096 0.000 0.830 129 L CB 0.019 41.889 42.059 -0.316 0.000 0.959 129 L HN 0.837 nan 8.230 nan 0.000 0.457 130 T N -3.330 111.260 114.554 0.061 0.000 2.907 130 T HA 0.594 4.945 4.350 0.001 0.000 0.292 130 T C -2.768 171.995 174.700 0.105 0.000 1.043 130 T CA -2.194 59.970 62.100 0.106 0.000 1.003 130 T CB 1.576 70.564 68.868 0.200 0.000 1.084 130 T HN -0.257 nan 8.240 nan 0.000 0.483 131 P HA 0.178 nan 4.420 nan 0.000 0.268 131 P C 0.698 178.087 177.300 0.148 0.000 1.204 131 P CA -0.560 62.607 63.100 0.111 0.000 0.768 131 P CB 0.594 32.359 31.700 0.109 0.000 0.842 132 K N 1.262 121.731 120.400 0.115 0.000 2.283 132 K HA -0.118 4.203 4.320 0.001 0.000 0.202 132 K C 1.521 178.340 176.600 0.364 0.000 1.048 132 K CA 1.670 58.054 56.287 0.163 0.000 0.948 132 K CB -0.527 31.956 32.500 -0.028 0.000 0.742 132 K HN 0.379 nan 8.250 nan 0.000 0.458 133 S N 1.687 117.560 115.700 0.289 0.000 2.419 133 S HA -0.066 4.405 4.470 0.001 0.000 0.233 133 S C 1.842 176.618 174.600 0.293 0.000 1.016 133 S CA 0.649 59.028 58.200 0.299 0.000 0.974 133 S CB -0.619 62.705 63.200 0.206 0.000 0.786 133 S HN 0.361 nan 8.310 nan 0.000 0.492 134 L N 0.134 121.525 121.223 0.280 0.000 2.622 134 L HA 0.298 4.638 4.340 0.001 0.000 0.233 134 L C 0.545 177.588 176.870 0.288 0.000 1.156 134 L CA -0.003 54.992 54.840 0.259 0.000 0.866 134 L CB -0.515 41.659 42.059 0.193 0.000 0.980 134 L HN 0.298 nan 8.230 nan 0.000 0.448 135 F N 1.923 122.000 119.950 0.212 0.000 2.404 135 F HA 0.242 4.769 4.527 0.001 0.000 0.345 135 F C 0.986 176.755 175.800 -0.051 0.000 1.110 135 F CA -0.565 57.538 58.000 0.173 0.000 1.130 135 F CB 0.261 39.415 39.000 0.257 0.000 1.129 135 F HN 0.152 nan 8.300 nan 0.000 0.500 136 H N 2.924 121.586 119.070 -0.681 0.000 3.943 136 H HA 0.136 4.693 4.556 0.001 0.000 0.229 136 H C -1.445 173.373 175.328 -0.849 0.000 1.215 136 H CA -0.649 54.973 56.048 -0.710 0.000 1.179 136 H CB -1.199 28.276 29.762 -0.478 0.000 3.217 136 H HN 0.603 nan 8.280 nan 0.000 0.594 137 H N 1.154 119.739 119.070 -0.808 0.000 2.569 137 H HA 0.331 4.887 4.556 0.001 0.000 0.357 137 H C 1.485 176.800 175.328 -0.023 0.000 1.153 137 H CA -0.455 55.432 56.048 -0.268 0.000 1.193 137 H CB 2.086 31.764 29.762 -0.140 0.000 1.602 137 H HN 0.363 nan 8.280 nan 0.000 0.523 138 R N 2.176 122.826 120.500 0.249 0.000 2.062 138 R HA -0.009 4.331 4.340 0.001 0.000 0.229 138 R C -0.206 176.392 176.300 0.497 0.000 1.128 138 R CA 1.230 57.556 56.100 0.377 0.000 0.960 138 R CB -0.131 30.361 30.300 0.321 0.000 0.855 138 R HN 0.778 nan 8.270 nan 0.000 0.432 139 N N -2.205 116.714 118.700 0.366 0.000 2.545 139 N HA 0.114 4.855 4.740 0.001 0.000 0.289 139 N C -0.078 175.342 175.510 -0.149 0.000 1.279 139 N CA -0.883 52.309 53.050 0.237 0.000 0.824 139 N CB 0.843 39.477 38.487 0.246 0.000 1.395 139 N HN -0.052 nan 8.380 nan 0.000 0.526 140 F N 0.861 120.340 119.950 -0.786 0.000 2.075 140 F HA -0.183 4.344 4.527 0.001 0.000 0.297 140 F C 2.756 178.246 175.800 -0.516 0.000 1.113 140 F CA 2.357 59.595 58.000 -1.269 0.000 1.218 140 F CB -0.688 37.211 39.000 -1.836 0.000 0.984 140 F HN 0.773 nan 8.300 nan 0.000 0.472 141 T N -2.487 111.857 114.554 -0.350 0.000 2.720 141 T HA -0.261 4.089 4.350 0.001 0.000 0.268 141 T C 2.319 176.858 174.700 -0.268 0.000 1.037 141 T CA 1.858 63.792 62.100 -0.276 0.000 1.144 141 T CB -1.205 67.655 68.868 -0.013 0.000 0.864 141 T HN 0.341 nan 8.240 nan 0.000 0.444 142 S N 0.204 115.816 115.700 -0.147 0.000 2.356 142 S HA -0.084 4.387 4.470 0.001 0.000 0.223 142 S C 1.651 176.138 174.600 -0.189 0.000 1.032 142 S CA 1.297 59.463 58.200 -0.056 0.000 1.005 142 S CB -0.868 62.398 63.200 0.109 0.000 0.867 142 S HN 0.576 nan 8.310 nan 0.000 0.449 143 F N 1.304 120.927 119.950 -0.545 0.000 2.069 143 F HA -0.112 4.415 4.527 0.001 0.000 0.298 143 F C 2.069 177.397 175.800 -0.786 0.000 1.113 143 F CA 2.002 59.423 58.000 -0.965 0.000 1.214 143 F CB -1.179 37.457 39.000 -0.607 0.000 0.978 143 F HN 0.388 nan 8.300 nan 0.000 0.474 144 Y N 1.677 121.270 120.300 -1.179 0.000 2.097 144 Y HA -0.269 4.281 4.550 0.001 0.000 0.282 144 Y C 2.275 177.661 175.900 -0.856 0.000 1.152 144 Y CA 2.359 59.721 58.100 -1.231 0.000 1.136 144 Y CB -1.277 36.412 38.460 -1.284 0.000 0.975 144 Y HN 0.254 nan 8.280 nan 0.000 0.498 145 N N -0.307 117.983 118.700 -0.683 0.000 2.104 145 N HA -0.232 4.509 4.740 0.001 0.000 0.190 145 N C 1.880 177.087 175.510 -0.504 0.000 1.024 145 N CA 1.252 53.968 53.050 -0.557 0.000 0.853 145 N CB -0.248 38.062 38.487 -0.294 0.000 1.008 145 N HN 0.531 nan 8.380 nan 0.000 0.424 146 E N 0.742 120.666 120.200 -0.460 0.000 2.028 146 E HA -0.083 4.267 4.350 0.001 0.000 0.190 146 E C 1.945 178.293 176.600 -0.420 0.000 0.984 146 E CA 0.574 56.782 56.400 -0.319 0.000 0.800 146 E CB 0.091 29.730 29.700 -0.102 0.000 0.758 146 E HN 0.033 nan 8.360 nan 0.000 0.448 147 V N 0.819 120.323 119.914 -0.683 0.000 2.719 147 V HA -0.155 3.965 4.120 0.001 0.000 0.252 147 V C 2.177 177.901 176.094 -0.616 0.000 1.065 147 V CA 1.887 63.800 62.300 -0.645 0.000 1.086 147 V CB -0.168 31.090 31.823 -0.943 0.000 0.700 147 V HN 0.505 nan 8.190 nan 0.000 0.467 148 S N -0.710 114.463 115.700 -0.878 0.000 2.474 148 S HA -0.166 4.304 4.470 0.001 0.000 0.235 148 S C 1.789 176.130 174.600 -0.432 0.000 0.997 148 S CA 1.127 58.839 58.200 -0.814 0.000 0.949 148 S CB -0.457 61.960 63.200 -1.305 0.000 0.766 148 S HN 0.688 nan 8.310 nan 0.000 0.517 149 K N 0.846 121.024 120.400 -0.370 0.000 2.365 149 K HA 0.152 4.473 4.320 0.001 0.000 0.199 149 K C 0.212 176.729 176.600 -0.140 0.000 1.045 149 K CA 0.263 56.420 56.287 -0.217 0.000 0.962 149 K CB -0.167 32.219 32.500 -0.189 0.000 0.759 149 K HN 0.276 nan 8.250 nan 0.000 0.469 150 V N 2.278 122.100 119.914 -0.152 0.000 2.924 150 V HA 0.015 4.136 4.120 0.001 0.000 0.305 150 V C 0.468 176.530 176.094 -0.054 0.000 1.073 150 V CA -0.514 61.737 62.300 -0.083 0.000 1.098 150 V CB 1.081 32.860 31.823 -0.075 0.000 1.000 150 V HN 0.113 nan 8.190 nan 0.000 0.484 151 K N 2.601 122.995 120.400 -0.011 0.000 2.258 151 K HA 0.372 4.692 4.320 0.001 0.000 0.284 151 K C -0.859 175.749 176.600 0.013 0.000 1.051 151 K CA -0.421 55.881 56.287 0.025 0.000 0.923 151 K CB 1.366 33.907 32.500 0.068 0.000 1.046 151 K HN 0.508 nan 8.250 nan 0.000 0.474 152 V N 5.174 125.062 119.914 -0.044 0.000 2.572 152 V HA 0.088 4.208 4.120 0.001 0.000 0.291 152 V C 0.927 177.113 176.094 0.154 0.000 1.039 152 V CA -0.202 62.037 62.300 -0.102 0.000 1.055 152 V CB 0.719 32.198 31.823 -0.574 0.000 0.969 152 V HN 0.766 nan 8.190 nan 0.000 0.482 153 R N 3.587 124.162 120.500 0.125 0.000 2.623 153 R HA 0.083 4.424 4.340 0.001 0.000 0.271 153 R C 0.076 176.537 176.300 0.269 0.000 1.043 153 R CA -0.087 56.107 56.100 0.157 0.000 1.083 153 R CB 0.440 30.799 30.300 0.098 0.000 0.974 153 R HN 0.771 nan 8.270 nan 0.000 0.436 154 E N 4.490 124.777 120.200 0.145 0.000 2.301 154 E HA 0.195 4.545 4.350 0.001 0.000 0.275 154 E C -2.186 174.419 176.600 0.007 0.000 1.030 154 E CA -1.868 54.523 56.400 -0.015 0.000 0.852 154 E CB 0.982 30.552 29.700 -0.216 0.000 1.060 154 E HN 0.500 nan 8.360 nan 0.000 0.401 155 P HA -0.065 nan 4.420 nan 0.000 0.267 155 P C -0.998 176.289 177.300 -0.023 0.000 1.200 155 P CA 0.425 63.542 63.100 0.029 0.000 0.772 155 P CB 0.429 32.161 31.700 0.054 0.000 0.855 156 E N -0.513 119.671 120.200 -0.026 0.000 2.396 156 E HA 0.529 4.880 4.350 0.001 0.000 0.280 156 E C -1.732 174.830 176.600 -0.064 0.000 1.065 156 E CA -0.911 55.457 56.400 -0.054 0.000 0.831 156 E CB 1.103 30.757 29.700 -0.077 0.000 1.272 156 E HN 0.155 nan 8.360 nan 0.000 0.443 157 T N 1.918 116.430 114.554 -0.070 0.000 2.921 157 T HA 0.449 4.800 4.350 0.001 0.000 0.297 157 T C -0.747 173.893 174.700 -0.099 0.000 1.013 157 T CA -0.685 61.370 62.100 -0.075 0.000 0.990 157 T CB 1.172 70.022 68.868 -0.031 0.000 1.023 157 T HN 0.434 nan 8.240 nan 0.000 0.447 158 M N 2.267 121.783 119.600 -0.141 0.000 2.342 158 M HA 0.411 4.892 4.480 0.001 0.000 0.332 158 M C 0.312 176.534 176.300 -0.130 0.000 1.166 158 M CA -0.393 54.814 55.300 -0.155 0.000 1.086 158 M CB 0.728 33.195 32.600 -0.222 0.000 1.541 158 M HN 0.494 nan 8.290 nan 0.000 0.462 159 E N 0.104 120.233 120.200 -0.117 0.000 2.283 159 E HA 0.708 5.058 4.350 0.001 0.000 0.271 159 E C -0.132 176.377 176.600 -0.152 0.000 1.031 159 E CA -0.378 55.961 56.400 -0.101 0.000 0.868 159 E CB 1.380 31.040 29.700 -0.068 0.000 1.094 159 E HN 0.827 nan 8.360 nan 0.000 0.401 160 G N 0.381 109.074 108.800 -0.179 0.000 2.510 160 G HA2 0.345 4.306 3.960 0.001 0.000 0.277 160 G HA3 0.345 4.306 3.960 0.001 0.000 0.277 160 G C -1.284 173.472 174.900 -0.240 0.000 1.223 160 G CA -0.494 44.462 45.100 -0.239 0.000 0.887 160 G HN 0.358 nan 8.290 nan 0.000 0.485 161 S N -0.435 115.079 115.700 -0.309 0.000 2.614 161 S HA 0.631 5.101 4.470 0.001 0.000 0.288 161 S C -1.576 172.863 174.600 -0.268 0.000 1.137 161 S CA -0.335 57.743 58.200 -0.203 0.000 0.992 161 S CB 1.036 64.182 63.200 -0.089 0.000 1.026 161 S HN 0.385 nan 8.310 nan 0.000 0.486 162 F N 2.483 122.443 119.950 0.016 0.000 2.411 162 F HA 0.408 4.936 4.527 0.001 0.000 0.355 162 F C 0.775 176.603 175.800 0.047 0.000 1.117 162 F CA -0.612 57.413 58.000 0.041 0.000 1.139 162 F CB 0.914 39.947 39.000 0.056 0.000 1.120 162 F HN 0.473 nan 8.300 nan 0.000 0.493 163 D N 1.598 122.134 120.400 0.225 0.000 2.549 163 D HA 0.748 5.388 4.640 0.001 0.000 0.270 163 D C -1.115 175.290 176.300 0.175 0.000 1.181 163 D CA -0.244 53.851 54.000 0.159 0.000 1.070 163 D CB 1.771 42.637 40.800 0.109 0.000 1.154 163 D HN 0.178 nan 8.370 nan 0.000 0.602 164 V N -0.636 119.359 119.914 0.136 0.000 3.130 164 V HA 0.528 4.649 4.120 0.001 0.000 0.310 164 V C -0.596 175.575 176.094 0.128 0.000 1.158 164 V CA -0.761 61.617 62.300 0.129 0.000 1.029 164 V CB 2.357 34.237 31.823 0.095 0.000 1.057 164 V HN 0.638 nan 8.190 nan 0.000 0.436 165 T N 1.172 115.807 114.554 0.136 0.000 2.833 165 T HA 0.229 4.579 4.350 0.001 0.000 0.297 165 T C 0.297 175.057 174.700 0.100 0.000 1.015 165 T CA -0.347 61.846 62.100 0.154 0.000 0.963 165 T CB 1.102 70.124 68.868 0.255 0.000 0.955 165 T HN 0.715 nan 8.240 nan 0.000 0.449 166 D N 1.734 122.186 120.400 0.088 0.000 2.190 166 D HA -0.144 4.496 4.640 0.001 0.000 0.200 166 D C 2.321 178.647 176.300 0.042 0.000 0.992 166 D CA 1.639 55.673 54.000 0.057 0.000 0.854 166 D CB -0.022 40.813 40.800 0.058 0.000 0.936 166 D HN 0.602 nan 8.370 nan 0.000 0.462 167 S N 0.604 116.351 115.700 0.079 0.000 2.354 167 S HA -0.169 4.301 4.470 0.001 0.000 0.219 167 S C 1.289 175.859 174.600 -0.050 0.000 1.035 167 S CA 1.019 59.262 58.200 0.073 0.000 1.037 167 S CB -0.943 62.370 63.200 0.188 0.000 0.956 167 S HN 0.314 nan 8.310 nan 0.000 0.428 168 S N 1.876 117.477 115.700 -0.166 0.000 2.525 168 S HA 0.042 4.513 4.470 0.001 0.000 0.282 168 S C 0.344 174.721 174.600 -0.372 0.000 1.324 168 S CA -0.146 57.706 58.200 -0.579 0.000 1.025 168 S CB -0.518 62.222 63.200 -0.766 0.000 0.820 168 S HN 0.525 nan 8.310 nan 0.000 0.514 169 M N 2.334 121.668 119.600 -0.443 0.000 2.114 169 M HA 0.336 4.816 4.480 0.001 0.000 0.280 169 M C 0.282 176.499 176.300 -0.139 0.000 1.209 169 M CA -0.711 54.449 55.300 -0.234 0.000 1.044 169 M CB 0.260 32.703 32.600 -0.262 0.000 1.404 169 M HN 0.956 nan 8.290 nan 0.000 0.499 170 N N -1.478 117.204 118.700 -0.030 0.000 2.453 170 N HA 0.400 5.140 4.740 0.001 0.000 0.290 170 N C 0.389 175.944 175.510 0.076 0.000 1.250 170 N CA -0.977 52.078 53.050 0.008 0.000 0.815 170 N CB 0.492 38.977 38.487 -0.004 0.000 1.381 170 N HN 0.461 nan 8.380 nan 0.000 0.510 171 V N -2.702 117.242 119.914 0.050 0.000 2.613 171 V HA -0.348 3.773 4.120 0.001 0.000 0.259 171 V C 1.541 177.668 176.094 0.056 0.000 1.099 171 V CA 2.315 64.645 62.300 0.050 0.000 1.115 171 V CB -1.413 30.396 31.823 -0.024 0.000 0.686 171 V HN 0.915 nan 8.190 nan 0.000 0.481 172 D N 0.570 120.999 120.400 0.049 0.000 2.182 172 D HA -0.302 4.338 4.640 0.001 0.000 0.201 172 D C 1.793 178.122 176.300 0.047 0.000 0.986 172 D CA 1.654 55.671 54.000 0.027 0.000 0.847 172 D CB -0.726 40.085 40.800 0.019 0.000 0.942 172 D HN 0.506 nan 8.370 nan 0.000 0.467 173 F N 1.153 121.094 119.950 -0.016 0.000 2.161 173 F HA -0.023 4.504 4.527 0.001 0.000 0.300 173 F C 1.836 177.649 175.800 0.022 0.000 1.089 173 F CA 1.175 59.166 58.000 -0.015 0.000 1.282 173 F CB -0.254 38.755 39.000 0.015 0.000 1.010 173 F HN -0.010 nan 8.300 nan 0.000 0.485 174 L N -0.159 121.011 121.223 -0.089 0.000 2.362 174 L HA -0.199 4.142 4.340 0.001 0.000 0.219 174 L C 2.148 178.949 176.870 -0.115 0.000 1.134 174 L CA 0.009 54.814 54.840 -0.057 0.000 0.807 174 L CB -0.704 41.410 42.059 0.091 0.000 0.927 174 L HN 0.189 nan 8.230 nan 0.000 0.447 175 L N -0.187 120.940 121.223 -0.160 0.000 2.261 175 L HA -0.176 4.164 4.340 0.001 0.000 0.216 175 L C 2.508 179.241 176.870 -0.228 0.000 1.114 175 L CA 1.678 56.429 54.840 -0.147 0.000 0.777 175 L CB -1.747 40.243 42.059 -0.116 0.000 0.910 175 L HN 0.304 nan 8.230 nan 0.000 0.440 176 T N -0.562 113.728 114.554 -0.440 0.000 2.746 176 T HA -0.161 4.189 4.350 0.001 0.000 0.267 176 T C 1.576 175.959 174.700 -0.528 0.000 1.039 176 T CA 1.229 62.980 62.100 -0.582 0.000 1.142 176 T CB -0.308 67.975 68.868 -0.974 0.000 0.866 176 T HN 0.153 nan 8.240 nan 0.000 0.444 177 F N 1.173 121.007 119.950 -0.192 0.000 2.661 177 F HA 0.264 4.791 4.527 0.001 0.000 0.298 177 F C 1.188 176.938 175.800 -0.083 0.000 1.137 177 F CA -0.051 57.883 58.000 -0.111 0.000 1.454 177 F CB -0.222 38.733 39.000 -0.076 0.000 1.103 177 F HN -0.060 nan 8.300 nan 0.000 0.577 178 K N 1.875 122.299 120.400 0.040 0.000 2.292 178 K HA 0.102 4.423 4.320 0.001 0.000 0.290 178 K C 0.633 177.223 176.600 -0.016 0.000 1.083 178 K CA -0.009 56.286 56.287 0.013 0.000 0.918 178 K CB 0.327 32.818 32.500 -0.016 0.000 1.089 178 K HN 0.043 nan 8.250 nan 0.000 0.473 179 K N 3.568 123.963 120.400 -0.008 0.000 2.462 179 K HA 0.216 4.537 4.320 0.001 0.000 0.201 179 K C 0.131 176.715 176.600 -0.026 0.000 1.268 179 K CA 0.226 56.495 56.287 -0.029 0.000 0.933 179 K CB 0.925 33.402 32.500 -0.038 0.000 1.162 179 K HN 0.452 nan 8.250 nan 0.000 0.527 180 I N 2.555 123.110 120.570 -0.025 0.000 2.531 180 I HA 0.161 4.332 4.170 0.001 0.000 0.283 180 I C -0.884 175.312 176.117 0.131 0.000 1.083 180 I CA -0.401 60.894 61.300 -0.009 0.000 1.071 180 I CB 2.204 40.096 38.000 -0.181 0.000 1.210 180 I HN -0.066 nan 8.210 nan 0.000 0.450 181 E N 3.388 123.705 120.200 0.196 0.000 2.313 181 E HA 0.282 4.632 4.350 0.001 0.000 0.272 181 E C -0.214 176.624 176.600 0.397 0.000 1.038 181 E CA -0.472 56.093 56.400 0.274 0.000 0.863 181 E CB 1.858 31.644 29.700 0.144 0.000 1.060 181 E HN 0.470 nan 8.360 nan 0.000 0.402 182 S N 2.911 118.824 115.700 0.355 0.000 2.531 182 S HA 0.092 4.563 4.470 0.001 0.000 0.279 182 S C -1.398 173.271 174.600 0.114 0.000 1.305 182 S CA -1.383 56.859 58.200 0.069 0.000 1.058 182 S CB 0.597 63.795 63.200 -0.003 0.000 0.899 182 S HN 0.368 nan 8.310 nan 0.000 0.493 183 P HA -0.012 nan 4.420 nan 0.000 0.237 183 P C 0.988 178.289 177.300 0.002 0.000 1.178 183 P CA 0.273 63.406 63.100 0.055 0.000 0.766 183 P CB 0.161 31.903 31.700 0.069 0.000 0.876 184 L N -1.799 119.406 121.223 -0.030 0.000 2.554 184 L HA 0.397 4.737 4.340 0.001 0.000 0.225 184 L C 0.151 176.711 176.870 -0.516 0.000 1.104 184 L CA 0.429 55.112 54.840 -0.261 0.000 0.866 184 L CB -0.259 41.600 42.059 -0.334 0.000 1.047 184 L HN -0.286 nan 8.230 nan 0.000 0.468 185 F N -1.725 118.254 119.950 0.050 0.000 2.613 185 F HA 0.510 5.038 4.527 0.001 0.000 0.314 185 F C 1.135 176.965 175.800 0.049 0.000 1.075 185 F CA -0.742 57.334 58.000 0.127 0.000 0.945 185 F CB 1.434 40.622 39.000 0.314 0.000 1.310 185 F HN -0.421 nan 8.300 nan 0.000 0.467 186 R N 0.472 121.078 120.500 0.176 0.000 2.521 186 R HA 0.428 4.769 4.340 0.001 0.000 0.289 186 R C 0.326 176.466 176.300 -0.266 0.000 0.936 186 R CA 0.153 56.238 56.100 -0.024 0.000 1.089 186 R CB 1.209 31.494 30.300 -0.026 0.000 1.348 186 R HN 0.929 nan 8.270 nan 0.000 0.536 187 G N 0.764 109.228 108.800 -0.559 0.000 2.782 187 G HA2 0.101 4.062 3.960 0.001 0.000 0.228 187 G HA3 0.101 4.062 3.960 0.001 0.000 0.228 187 G C 0.089 174.747 174.900 -0.403 0.000 1.372 187 G CA -0.458 43.852 45.100 -1.318 0.000 0.862 187 G HN 0.652 nan 8.290 nan 0.000 0.547 188 G N -1.451 107.168 108.800 -0.301 0.000 2.722 188 G HA2 0.207 4.168 3.960 0.001 0.000 0.686 188 G HA3 0.207 4.168 3.960 0.001 0.000 0.686 188 G C 0.715 175.725 174.900 0.183 0.000 1.282 188 G CA 0.807 45.891 45.100 -0.027 0.000 0.817 188 G HN 1.819 nan 8.290 nan 0.000 0.605 189 R N 0.925 121.508 120.500 0.139 0.000 2.120 189 R HA -0.047 4.294 4.340 0.001 0.000 0.234 189 R C 2.593 178.948 176.300 0.091 0.000 1.123 189 R CA 1.866 58.057 56.100 0.152 0.000 0.975 189 R CB -0.171 30.199 30.300 0.117 0.000 0.866 189 R HN 0.572 nan 8.270 nan 0.000 0.446 190 R N 0.560 121.096 120.500 0.061 0.000 2.073 190 R HA -0.155 4.185 4.340 0.001 0.000 0.234 190 R C 2.239 178.572 176.300 0.054 0.000 1.134 190 R CA 2.055 58.182 56.100 0.045 0.000 0.952 190 R CB -0.187 30.120 30.300 0.011 0.000 0.850 190 R HN 0.376 nan 8.270 nan 0.000 0.433 191 E N -0.884 119.345 120.200 0.049 0.000 2.106 191 E HA -0.125 4.226 4.350 0.001 0.000 0.192 191 E C 1.851 178.410 176.600 -0.067 0.000 0.984 191 E CA 1.204 57.637 56.400 0.054 0.000 0.806 191 E CB -0.182 29.600 29.700 0.137 0.000 0.750 191 E HN 0.457 nan 8.360 nan 0.000 0.458 192 G N 1.700 110.304 108.800 -0.326 0.000 2.459 192 G HA2 -0.268 3.693 3.960 0.001 0.000 0.217 192 G HA3 -0.268 3.693 3.960 0.001 0.000 0.217 192 G C 1.608 176.423 174.900 -0.142 0.000 1.183 192 G CA 0.978 45.703 45.100 -0.624 0.000 0.776 192 G HN 0.230 nan 8.290 nan 0.000 0.552 193 L N -0.972 120.258 121.223 0.012 0.000 2.083 193 L HA -0.077 4.263 4.340 0.001 0.000 0.209 193 L C 2.596 179.573 176.870 0.178 0.000 1.083 193 L CA 1.242 56.148 54.840 0.110 0.000 0.752 193 L CB -0.525 41.624 42.059 0.150 0.000 0.899 193 L HN 0.319 nan 8.230 nan 0.000 0.433 194 Y N 0.747 121.068 120.300 0.035 0.000 2.165 194 Y HA -0.253 4.298 4.550 0.001 0.000 0.286 194 Y C 2.313 178.241 175.900 0.047 0.000 1.155 194 Y CA 1.550 59.679 58.100 0.047 0.000 1.164 194 Y CB -0.133 38.333 38.460 0.009 0.000 0.978 194 Y HN 0.001 nan 8.280 nan 0.000 0.513 195 L N -0.851 120.416 121.223 0.073 0.000 2.056 195 L HA -0.191 4.149 4.340 0.001 0.000 0.207 195 L C 2.374 179.239 176.870 -0.007 0.000 1.078 195 L CA 0.940 55.791 54.840 0.019 0.000 0.749 195 L CB -0.697 41.417 42.059 0.092 0.000 0.901 195 L HN 0.300 nan 8.230 nan 0.000 0.433 196 L N -0.835 120.347 121.223 -0.068 0.000 2.187 196 L HA -0.236 4.105 4.340 0.001 0.000 0.213 196 L C 2.232 178.880 176.870 -0.370 0.000 1.100 196 L CA 1.883 56.581 54.840 -0.236 0.000 0.765 196 L CB -0.685 41.202 42.059 -0.286 0.000 0.904 196 L HN 0.312 nan 8.230 nan 0.000 0.437 197 H N -0.823 118.175 119.070 -0.121 0.000 2.529 197 H HA 0.245 4.801 4.556 0.001 0.000 0.277 197 H C 0.377 175.595 175.328 -0.184 0.000 1.004 197 H CA -0.235 55.727 56.048 -0.144 0.000 1.167 197 H CB 0.164 29.841 29.762 -0.142 0.000 1.445 197 H HN 0.315 nan 8.280 nan 0.000 0.554 198 R N 1.764 122.182 120.500 -0.136 0.000 2.543 198 R HA 0.072 4.413 4.340 0.001 0.000 0.277 198 R C 0.010 176.237 176.300 -0.123 0.000 1.074 198 R CA -0.129 55.858 56.100 -0.187 0.000 1.076 198 R CB 0.569 30.742 30.300 -0.211 0.000 0.993 198 R HN 0.142 nan 8.270 nan 0.000 0.459 199 N N 2.667 121.297 118.700 -0.117 0.000 2.485 199 N HA 0.160 4.901 4.740 0.001 0.000 0.243 199 N C -0.432 175.001 175.510 -0.128 0.000 0.987 199 N CA -0.204 52.788 53.050 -0.096 0.000 0.940 199 N CB 1.691 40.145 38.487 -0.055 0.000 1.122 199 N HN 0.298 nan 8.380 nan 0.000 0.509 200 V N -0.981 118.816 119.914 -0.195 0.000 3.103 200 V HA 0.511 4.632 4.120 0.001 0.000 0.318 200 V C -0.043 176.009 176.094 -0.070 0.000 1.114 200 V CA -0.994 61.201 62.300 -0.174 0.000 1.020 200 V CB 2.283 33.916 31.823 -0.315 0.000 1.085 200 V HN 0.296 nan 8.190 nan 0.000 0.446 201 D N 0.994 121.385 120.400 -0.016 0.000 2.522 201 D HA 0.242 4.883 4.640 0.001 0.000 0.218 201 D C 0.544 176.917 176.300 0.122 0.000 1.149 201 D CA -0.523 53.505 54.000 0.047 0.000 0.981 201 D CB 0.104 40.916 40.800 0.019 0.000 1.041 201 D HN 0.542 nan 8.370 nan 0.000 0.518 202 F N 3.003 122.941 119.950 -0.019 0.000 2.287 202 F HA -0.171 4.356 4.527 0.001 0.000 0.301 202 F C 1.861 177.700 175.800 0.066 0.000 1.069 202 F CA 0.975 58.999 58.000 0.040 0.000 1.372 202 F CB 0.228 39.319 39.000 0.151 0.000 1.056 202 F HN 0.296 nan 8.300 nan 0.000 0.523 203 R N 0.144 120.718 120.500 0.123 0.000 2.092 203 R HA -0.052 4.288 4.340 0.001 0.000 0.231 203 R C 1.402 177.728 176.300 0.044 0.000 1.119 203 R CA 1.027 57.162 56.100 0.058 0.000 0.970 203 R CB -0.810 29.539 30.300 0.082 0.000 0.864 203 R HN 0.305 nan 8.270 nan 0.000 0.440 204 R N 1.594 122.136 120.500 0.069 0.000 2.721 204 R HA 0.138 4.479 4.340 0.001 0.000 0.296 204 R C 1.370 177.764 176.300 0.155 0.000 1.174 204 R CA -0.129 56.085 56.100 0.190 0.000 1.129 204 R CB 0.145 30.485 30.300 0.067 0.000 1.316 204 R HN 0.246 nan 8.270 nan 0.000 0.571 205 R N -0.188 120.267 120.500 -0.074 0.000 2.328 205 R HA -0.054 4.286 4.340 0.001 0.000 0.207 205 R C 0.296 176.449 176.300 -0.245 0.000 1.056 205 R CA 1.162 57.147 56.100 -0.191 0.000 1.016 205 R CB 0.040 30.031 30.300 -0.515 0.000 0.872 205 R HN 0.135 nan 8.270 nan 0.000 0.471 206 D N 0.321 120.542 120.400 -0.299 0.000 2.289 206 D HA -0.055 4.586 4.640 0.001 0.000 0.207 206 D C -0.295 175.596 176.300 -0.682 0.000 0.966 206 D CA 0.666 54.253 54.000 -0.688 0.000 0.868 206 D CB 0.071 40.206 40.800 -1.109 0.000 0.943 206 D HN 0.278 nan 8.370 nan 0.000 0.514 207 Y N 0.966 121.177 120.300 -0.149 0.000 2.539 207 Y HA 0.141 4.692 4.550 0.001 0.000 0.352 207 Y C -1.428 174.391 175.900 -0.136 0.000 1.004 207 Y CA -1.920 56.151 58.100 -0.048 0.000 1.278 207 Y CB 0.732 39.218 38.460 0.044 0.000 1.136 207 Y HN -0.074 nan 8.280 nan 0.000 0.528 208 P HA -0.260 nan 4.420 nan 0.000 0.215 208 P C 1.399 178.653 177.300 -0.077 0.000 1.153 208 P CA 2.091 64.956 63.100 -0.391 0.000 0.853 208 P CB 0.314 31.293 31.700 -1.202 0.000 0.788 209 A N -0.397 122.482 122.820 0.099 0.000 1.908 209 A HA -0.188 4.133 4.320 0.001 0.000 0.218 209 A C 1.298 178.971 177.584 0.149 0.000 1.181 209 A CA 1.319 53.491 52.037 0.225 0.000 0.627 209 A CB -1.093 18.048 19.000 0.235 0.000 0.818 209 A HN 0.217 nan 8.150 nan 0.000 0.445 210 E N -0.848 119.425 120.200 0.121 0.000 2.421 210 E HA 0.128 4.479 4.350 0.001 0.000 0.253 210 E C -0.232 176.404 176.600 0.061 0.000 1.277 210 E CA -0.204 56.241 56.400 0.075 0.000 0.968 210 E CB 0.237 29.974 29.700 0.061 0.000 1.040 210 E HN 0.465 nan 8.360 nan 0.000 0.512 211 N N 0.932 119.650 118.700 0.030 0.000 2.735 211 N HA 0.107 4.848 4.740 0.001 0.000 0.312 211 N C -0.628 174.872 175.510 -0.017 0.000 1.843 211 N CA -0.068 52.990 53.050 0.014 0.000 0.945 211 N CB 0.135 38.624 38.487 0.003 0.000 1.299 211 N HN 0.289 nan 8.380 nan 0.000 0.489 212 N N 0.912 119.611 118.700 -0.002 0.000 2.295 212 N HA 0.083 4.823 4.740 0.001 0.000 0.221 212 N C -1.046 174.473 175.510 0.014 0.000 1.129 212 N CA 0.139 53.179 53.050 -0.017 0.000 0.836 212 N CB 0.303 38.799 38.487 0.015 0.000 1.040 212 N HN 0.394 nan 8.380 nan 0.000 0.494 213 N N -0.697 118.022 118.700 0.031 0.000 2.361 213 N HA 0.215 4.955 4.740 0.001 0.000 0.302 213 N C 0.204 175.770 175.510 0.093 0.000 1.074 213 N CA -0.591 52.556 53.050 0.163 0.000 0.850 213 N CB 0.890 39.512 38.487 0.225 0.000 1.228 213 N HN -0.018 nan 8.380 nan 0.000 0.491 214 Y N 0.890 121.331 120.300 0.236 0.000 2.509 214 Y HA 0.095 4.645 4.550 0.001 0.000 0.293 214 Y C 0.547 176.527 175.900 0.133 0.000 1.133 214 Y CA 0.293 58.467 58.100 0.123 0.000 1.283 214 Y CB 0.009 38.526 38.460 0.095 0.000 1.001 214 Y HN 0.404 nan 8.280 nan 0.000 0.555 215 R N -0.052 120.639 120.500 0.319 0.000 3.416 215 R HA -0.234 4.106 4.340 0.001 0.000 0.263 215 R C 0.409 176.960 176.300 0.418 0.000 1.053 215 R CA 0.303 56.555 56.100 0.254 0.000 0.705 215 R CB -1.824 28.461 30.300 -0.025 0.000 1.124 215 R HN 0.427 nan 8.270 nan 0.000 0.444 216 L N -0.767 120.693 121.223 0.395 0.000 2.554 216 L HA -0.032 4.309 4.340 0.001 0.000 0.225 216 L C 2.212 179.256 176.870 0.290 0.000 1.104 216 L CA 0.866 55.925 54.840 0.366 0.000 0.866 216 L CB 0.086 42.321 42.059 0.294 0.000 1.047 216 L HN 0.407 nan 8.230 nan 0.000 0.468 217 S N 1.030 116.864 115.700 0.223 0.000 2.368 217 S HA -0.154 4.317 4.470 0.001 0.000 0.226 217 S C -0.318 174.258 174.600 -0.040 0.000 1.044 217 S CA 1.441 59.694 58.200 0.089 0.000 1.062 217 S CB -2.152 61.095 63.200 0.078 0.000 0.931 217 S HN 0.295 nan 8.310 nan 0.000 0.440 218 P HA -0.143 nan 4.420 nan 0.000 0.216 218 P C 1.162 178.240 177.300 -0.369 0.000 1.150 218 P CA 1.529 64.291 63.100 -0.565 0.000 0.837 218 P CB -0.368 30.559 31.700 -1.288 0.000 0.786 219 H N -0.559 118.541 119.070 0.049 0.000 2.428 219 H HA 0.073 4.629 4.556 0.001 0.000 0.296 219 H C 2.249 177.700 175.328 0.205 0.000 1.062 219 H CA 0.878 57.100 56.048 0.289 0.000 1.350 219 H CB -0.291 29.669 29.762 0.331 0.000 1.403 219 H HN 0.172 nan 8.280 nan 0.000 0.533 220 L N 0.569 121.922 121.223 0.217 0.000 2.068 220 L HA -0.135 4.205 4.340 0.001 0.000 0.204 220 L C 2.669 179.568 176.870 0.048 0.000 1.076 220 L CA 1.096 56.022 54.840 0.143 0.000 0.753 220 L CB -0.247 41.873 42.059 0.101 0.000 0.910 220 L HN 0.115 nan 8.230 nan 0.000 0.439 221 K N 0.863 121.218 120.400 -0.075 0.000 2.032 221 K HA -0.199 4.121 4.320 0.001 0.000 0.209 221 K C 1.548 177.934 176.600 -0.356 0.000 1.048 221 K CA 1.989 58.107 56.287 -0.282 0.000 0.927 221 K CB -0.521 31.724 32.500 -0.425 0.000 0.712 221 K HN 0.107 nan 8.250 nan 0.000 0.441 222 F N 0.333 120.266 119.950 -0.028 0.000 2.797 222 F HA 0.299 4.827 4.527 0.001 0.000 0.302 222 F C 1.238 177.144 175.800 0.177 0.000 1.130 222 F CA 0.479 58.522 58.000 0.071 0.000 1.387 222 F CB 0.265 39.335 39.000 0.118 0.000 1.107 222 F HN 0.351 nan 8.300 nan 0.000 0.577 223 G N 0.786 109.771 108.800 0.308 0.000 2.246 223 G HA2 -0.373 3.588 3.960 0.001 0.000 0.273 223 G HA3 -0.373 3.588 3.960 0.001 0.000 0.273 223 G C 1.139 176.246 174.900 0.345 0.000 1.055 223 G CA 0.717 46.020 45.100 0.338 0.000 0.851 223 G HN 0.435 nan 8.290 nan 0.000 0.500 224 T N -2.121 112.657 114.554 0.372 0.000 2.995 224 T HA 0.316 4.667 4.350 0.001 0.000 0.269 224 T C 1.305 176.170 174.700 0.275 0.000 1.091 224 T CA 1.342 63.646 62.100 0.339 0.000 1.128 224 T CB -0.017 69.132 68.868 0.468 0.000 0.891 224 T HN 1.577 nan 8.240 nan 0.000 0.492 225 I N -0.963 119.770 120.570 0.272 0.000 2.865 225 I HA 0.732 4.902 4.170 0.001 0.000 0.302 225 I C -0.442 175.799 176.117 0.207 0.000 1.140 225 I CA -1.446 59.978 61.300 0.207 0.000 1.021 225 I CB 2.436 40.539 38.000 0.170 0.000 1.233 225 I HN 0.037 nan 8.210 nan 0.000 0.427 226 S N 4.353 120.161 115.700 0.180 0.000 2.610 226 S HA 0.284 4.754 4.470 0.001 0.000 0.273 226 S C 0.831 175.527 174.600 0.161 0.000 1.274 226 S CA -0.555 57.752 58.200 0.178 0.000 1.023 226 S CB 1.608 64.902 63.200 0.157 0.000 0.962 226 S HN 0.831 nan 8.310 nan 0.000 0.523 227 M N 2.268 121.957 119.600 0.150 0.000 2.144 227 M HA -0.049 4.432 4.480 0.001 0.000 0.260 227 M C 2.133 178.500 176.300 0.112 0.000 1.067 227 M CA 1.763 57.126 55.300 0.105 0.000 1.095 227 M CB -0.759 31.887 32.600 0.076 0.000 1.365 227 M HN 0.848 nan 8.290 nan 0.000 0.406 228 R N -0.787 119.795 120.500 0.137 0.000 2.092 228 R HA -0.108 4.233 4.340 0.001 0.000 0.231 228 R C 2.111 178.599 176.300 0.313 0.000 1.119 228 R CA 1.579 57.804 56.100 0.209 0.000 0.970 228 R CB -0.352 30.073 30.300 0.209 0.000 0.864 228 R HN 0.545 nan 8.270 nan 0.000 0.440 229 E N 0.540 120.876 120.200 0.227 0.000 2.047 229 E HA -0.137 4.214 4.350 0.001 0.000 0.191 229 E C 2.111 178.807 176.600 0.160 0.000 0.987 229 E CA 1.040 57.561 56.400 0.201 0.000 0.799 229 E CB -0.101 29.686 29.700 0.145 0.000 0.752 229 E HN 0.331 nan 8.360 nan 0.000 0.449 230 A N 1.032 123.937 122.820 0.140 0.000 1.908 230 A HA -0.241 4.079 4.320 0.001 0.000 0.218 230 A C 2.060 179.722 177.584 0.130 0.000 1.181 230 A CA 1.578 53.682 52.037 0.112 0.000 0.627 230 A CB -0.844 18.255 19.000 0.165 0.000 0.818 230 A HN 0.410 nan 8.150 nan 0.000 0.445 231 Y N -1.014 119.301 120.300 0.025 0.000 2.070 231 Y HA -0.286 4.264 4.550 0.001 0.000 0.280 231 Y C 2.194 178.030 175.900 -0.106 0.000 1.148 231 Y CA 2.098 60.155 58.100 -0.071 0.000 1.125 231 Y CB -0.675 37.656 38.460 -0.214 0.000 0.975 231 Y HN 0.377 nan 8.280 nan 0.000 0.492 232 Y N -0.291 119.983 120.300 -0.044 0.000 2.352 232 Y HA -0.189 4.362 4.550 0.001 0.000 0.292 232 Y C 2.518 178.329 175.900 -0.149 0.000 1.136 232 Y CA 1.679 59.696 58.100 -0.139 0.000 1.227 232 Y CB -0.394 38.092 38.460 0.044 0.000 0.991 232 Y HN 0.111 nan 8.280 nan 0.000 0.545 233 T N -0.692 113.868 114.554 0.011 0.000 2.951 233 T HA -0.114 4.237 4.350 0.001 0.000 0.268 233 T C 1.304 175.898 174.700 -0.176 0.000 1.073 233 T CA 1.045 63.103 62.100 -0.070 0.000 1.134 233 T CB -0.068 68.712 68.868 -0.146 0.000 0.884 233 T HN 0.276 nan 8.240 nan 0.000 0.479 234 Q N 0.083 119.740 119.800 -0.239 0.000 2.172 234 Q HA 0.282 4.623 4.340 0.001 0.000 0.217 234 Q C 1.518 177.382 176.000 -0.226 0.000 0.832 234 Q CA -0.130 55.503 55.803 -0.283 0.000 1.010 234 Q CB 0.440 28.900 28.738 -0.464 0.000 1.133 234 Q HN 0.440 nan 8.270 nan 0.000 0.489 235 K N 0.984 121.192 120.400 -0.320 0.000 2.144 235 K HA -0.179 4.141 4.320 0.001 0.000 0.209 235 K C 1.710 178.206 176.600 -0.173 0.000 1.047 235 K CA 1.687 57.723 56.287 -0.418 0.000 0.927 235 K CB -0.147 32.125 32.500 -0.380 0.000 0.716 235 K HN 0.329 nan 8.250 nan 0.000 0.454 236 G N 0.456 109.197 108.800 -0.098 0.000 2.650 236 G HA2 -0.117 3.844 3.960 0.001 0.000 0.214 236 G HA3 -0.117 3.844 3.960 0.001 0.000 0.214 236 G C -0.082 174.821 174.900 0.004 0.000 1.136 236 G CA 0.065 45.146 45.100 -0.032 0.000 0.789 236 G HN 0.229 nan 8.290 nan 0.000 0.536 237 K N 1.746 122.146 120.400 -0.000 0.000 2.231 237 K HA 0.134 4.455 4.320 0.001 0.000 0.255 237 K C 1.086 177.773 176.600 0.144 0.000 1.108 237 K CA -0.342 55.982 56.287 0.063 0.000 0.997 237 K CB 1.114 33.619 32.500 0.008 0.000 1.549 237 K HN 0.183 nan 8.250 nan 0.000 0.419 238 E N 2.878 123.170 120.200 0.152 0.000 2.086 238 E HA -0.295 4.056 4.350 0.001 0.000 0.200 238 E C 0.769 177.509 176.600 0.234 0.000 1.012 238 E CA 1.679 58.196 56.400 0.195 0.000 0.812 238 E CB 0.005 29.808 29.700 0.170 0.000 0.743 238 E HN 0.447 nan 8.360 nan 0.000 0.453 239 E N 0.162 120.525 120.200 0.272 0.000 2.051 239 E HA -0.134 4.217 4.350 0.001 0.000 0.192 239 E C 2.007 178.881 176.600 0.456 0.000 0.991 239 E CA 1.089 57.706 56.400 0.363 0.000 0.799 239 E CB -0.631 29.367 29.700 0.497 0.000 0.748 239 E HN 0.412 nan 8.360 nan 0.000 0.449 240 F N 1.337 121.401 119.950 0.191 0.000 2.146 240 F HA -0.171 4.357 4.527 0.001 0.000 0.298 240 F C 2.227 178.050 175.800 0.038 0.000 1.096 240 F CA 0.911 58.870 58.000 -0.068 0.000 1.275 240 F CB -0.117 38.564 39.000 -0.532 0.000 1.008 240 F HN -0.211 nan 8.300 nan 0.000 0.480 241 V N 0.875 120.881 119.914 0.153 0.000 2.407 241 V HA -0.259 3.861 4.120 0.001 0.000 0.248 241 V C 2.577 178.823 176.094 0.254 0.000 1.055 241 V CA 2.122 64.529 62.300 0.179 0.000 1.049 241 V CB -0.806 31.213 31.823 0.326 0.000 0.662 241 V HN 0.299 nan 8.190 nan 0.000 0.455 242 R N -0.013 120.593 120.500 0.175 0.000 2.075 242 R HA -0.168 4.172 4.340 0.001 0.000 0.232 242 R C 2.313 178.697 176.300 0.140 0.000 1.126 242 R CA 1.735 57.804 56.100 -0.051 0.000 0.963 242 R CB -0.134 30.040 30.300 -0.211 0.000 0.858 242 R HN 0.586 nan 8.270 nan 0.000 0.435 243 E N 0.085 120.364 120.200 0.132 0.000 2.204 243 E HA -0.176 4.175 4.350 0.001 0.000 0.194 243 E C 1.781 178.409 176.600 0.048 0.000 0.989 243 E CA 0.525 57.020 56.400 0.158 0.000 0.824 243 E CB 0.069 29.814 29.700 0.074 0.000 0.756 243 E HN 0.140 nan 8.360 nan 0.000 0.477 244 L N -0.204 120.935 121.223 -0.140 0.000 2.093 244 L HA -0.164 4.176 4.340 0.001 0.000 0.208 244 L C 1.599 178.451 176.870 -0.031 0.000 1.085 244 L CA 1.613 56.326 54.840 -0.212 0.000 0.755 244 L CB -0.366 41.479 42.059 -0.357 0.000 0.904 244 L HN 0.172 nan 8.230 nan 0.000 0.435 245 Y N -2.825 117.539 120.300 0.107 0.000 2.574 245 Y HA -0.229 4.321 4.550 0.001 0.000 0.294 245 Y C 1.891 177.960 175.900 0.281 0.000 1.142 245 Y CA 1.076 59.319 58.100 0.238 0.000 1.314 245 Y CB -0.529 38.113 38.460 0.305 0.000 0.991 245 Y HN 0.203 nan 8.280 nan 0.000 0.555 246 W N -0.125 121.249 121.300 0.122 0.000 2.465 246 W HA -0.091 4.570 4.660 0.001 0.000 0.268 246 W C 2.232 178.748 176.519 -0.005 0.000 1.242 246 W CA 0.816 58.058 57.345 -0.172 0.000 1.248 246 W CB -0.066 29.118 29.460 -0.460 0.000 1.118 246 W HN -0.129 nan 8.180 nan 0.000 0.587 247 R N -0.011 120.638 120.500 0.248 0.000 2.066 247 R HA -0.134 4.207 4.340 0.001 0.000 0.232 247 R C 1.487 177.864 176.300 0.128 0.000 1.131 247 R CA 1.875 58.081 56.100 0.177 0.000 0.955 247 R CB -0.751 29.600 30.300 0.085 0.000 0.851 247 R HN 0.134 nan 8.270 nan 0.000 0.432 248 D N 0.234 120.715 120.400 0.136 0.000 2.097 248 D HA -0.171 4.470 4.640 0.001 0.000 0.195 248 D C 1.526 177.775 176.300 -0.084 0.000 0.989 248 D CA 1.042 55.094 54.000 0.087 0.000 0.827 248 D CB -0.229 40.740 40.800 0.282 0.000 0.966 248 D HN 0.027 nan 8.370 nan 0.000 0.456 249 F N 0.394 120.208 119.950 -0.226 0.000 2.043 249 F HA -0.251 4.276 4.527 0.001 0.000 0.297 249 F C 1.896 177.428 175.800 -0.445 0.000 1.121 249 F CA 1.439 59.075 58.000 -0.605 0.000 1.199 249 F CB -0.503 38.152 39.000 -0.576 0.000 0.968 249 F HN -0.087 nan 8.300 nan 0.000 0.478 250 F N 0.413 120.269 119.950 -0.156 0.000 2.171 250 F HA -0.150 4.377 4.527 0.001 0.000 0.300 250 F C 2.594 178.205 175.800 -0.315 0.000 1.090 250 F CA 1.687 59.537 58.000 -0.250 0.000 1.293 250 F CB -1.611 37.380 39.000 -0.015 0.000 1.013 250 F HN -0.065 nan 8.300 nan 0.000 0.486 251 T N 0.631 115.141 114.554 -0.074 0.000 2.674 251 T HA -0.167 4.183 4.350 0.001 0.000 0.265 251 T C 2.295 176.827 174.700 -0.279 0.000 1.039 251 T CA 1.334 63.366 62.100 -0.114 0.000 1.150 251 T CB -0.587 68.216 68.868 -0.108 0.000 0.864 251 T HN 0.157 nan 8.240 nan 0.000 0.427 252 L N 0.327 121.237 121.223 -0.522 0.000 2.083 252 L HA -0.046 4.294 4.340 0.001 0.000 0.209 252 L C 2.456 178.835 176.870 -0.817 0.000 1.083 252 L CA 0.603 55.013 54.840 -0.715 0.000 0.752 252 L CB -0.546 40.924 42.059 -0.982 0.000 0.899 252 L HN 0.213 nan 8.230 nan 0.000 0.433 253 L N 0.419 121.061 121.223 -0.969 0.000 1.989 253 L HA -0.209 4.132 4.340 0.001 0.000 0.211 253 L C 2.641 179.347 176.870 -0.273 0.000 1.071 253 L CA 2.210 56.660 54.840 -0.650 0.000 0.749 253 L CB -0.698 40.963 42.059 -0.663 0.000 0.890 253 L HN 0.162 nan 8.230 nan 0.000 0.431 254 A N -1.904 120.771 122.820 -0.242 0.000 1.969 254 A HA -0.260 4.060 4.320 0.001 0.000 0.218 254 A C 2.264 179.844 177.584 -0.007 0.000 1.169 254 A CA 1.571 53.503 52.037 -0.175 0.000 0.635 254 A CB -1.103 17.804 19.000 -0.156 0.000 0.810 254 A HN 0.646 nan 8.150 nan 0.000 0.445 255 Y N -0.872 119.323 120.300 -0.175 0.000 2.181 255 Y HA -0.202 4.349 4.550 0.001 0.000 0.288 255 Y C 1.725 177.491 175.900 -0.223 0.000 1.146 255 Y CA 1.635 59.618 58.100 -0.195 0.000 1.164 255 Y CB -0.381 37.843 38.460 -0.394 0.000 0.982 255 Y HN 0.381 nan 8.280 nan 0.000 0.515 256 Y N -0.254 119.977 120.300 -0.116 0.000 2.511 256 Y HA 0.154 4.705 4.550 0.001 0.000 0.279 256 Y C 0.250 176.167 175.900 0.027 0.000 1.157 256 Y CA 0.309 58.357 58.100 -0.087 0.000 1.300 256 Y CB 0.054 38.577 38.460 0.106 0.000 1.052 256 Y HN 0.097 nan 8.280 nan 0.000 0.529 257 N N -0.205 118.580 118.700 0.141 0.000 2.733 257 N HA 0.168 4.909 4.740 0.001 0.000 0.271 257 N C -2.463 173.035 175.510 -0.020 0.000 1.720 257 N CA -0.936 52.214 53.050 0.166 0.000 0.803 257 N CB 1.045 39.670 38.487 0.230 0.000 1.208 257 N HN 0.044 nan 8.380 nan 0.000 0.498 258 P HA -0.207 nan 4.420 nan 0.000 0.218 258 P C 1.484 178.817 177.300 0.054 0.000 1.146 258 P CA 1.297 64.456 63.100 0.099 0.000 0.820 258 P CB -0.081 31.693 31.700 0.124 0.000 0.778 259 H N -0.620 118.465 119.070 0.024 0.000 2.518 259 H HA -0.062 4.495 4.556 0.001 0.000 0.292 259 H C 1.512 176.839 175.328 -0.002 0.000 1.068 259 H CA 1.566 57.583 56.048 -0.051 0.000 1.275 259 H CB -1.268 28.476 29.762 -0.029 0.000 1.375 259 H HN 0.132 nan 8.280 nan 0.000 0.563 260 V N -1.431 118.165 119.914 -0.530 0.000 2.568 260 V HA -0.136 3.984 4.120 0.001 0.000 0.253 260 V C 0.869 176.885 176.094 -0.132 0.000 1.072 260 V CA 0.868 62.964 62.300 -0.339 0.000 1.084 260 V CB -1.508 30.025 31.823 -0.482 0.000 0.676 260 V HN 0.046 nan 8.190 nan 0.000 0.469 261 F N 2.624 122.606 119.950 0.053 0.000 2.619 261 F HA 0.665 5.193 4.527 0.001 0.000 0.350 261 F C 1.412 177.263 175.800 0.085 0.000 1.259 261 F CA 0.158 58.204 58.000 0.077 0.000 1.204 261 F CB 0.109 39.113 39.000 0.007 0.000 1.556 261 F HN 0.330 nan 8.300 nan 0.000 0.650 262 G N 0.628 109.626 108.800 0.330 0.000 2.545 262 G HA2 -0.147 3.814 3.960 0.001 0.000 0.195 262 G HA3 -0.147 3.814 3.960 0.001 0.000 0.195 262 G C 0.021 175.245 174.900 0.539 0.000 1.009 262 G CA -0.554 44.737 45.100 0.319 0.000 0.703 262 G HN 0.549 nan 8.290 nan 0.000 0.479 263 H N -1.011 118.244 119.070 0.308 0.000 2.864 263 H HA 0.581 5.137 4.556 0.001 0.000 0.354 263 H C -0.332 175.334 175.328 0.565 0.000 1.208 263 H CA -0.844 55.429 56.048 0.374 0.000 1.191 263 H CB 1.773 31.752 29.762 0.361 0.000 1.889 263 H HN 0.252 nan 8.280 nan 0.000 0.574 264 C N 1.505 121.236 119.300 0.718 0.000 2.536 264 C HA -0.054 4.406 4.460 0.001 0.000 0.396 264 C C 1.815 177.124 174.990 0.532 0.000 1.279 264 C CA -0.189 59.219 59.018 0.649 0.000 2.148 264 C CB -0.576 27.537 27.740 0.621 0.000 2.584 264 C HN 0.810 nan 8.230 nan 0.000 0.579 265 Y N 2.197 122.648 120.300 0.251 0.000 2.081 265 Y HA -0.110 4.440 4.550 0.001 0.000 0.280 265 Y C 1.573 177.722 175.900 0.416 0.000 1.163 265 Y CA 1.750 60.003 58.100 0.254 0.000 1.135 265 Y CB -0.060 38.465 38.460 0.108 0.000 0.970 265 Y HN 0.570 nan 8.280 nan 0.000 0.498 266 R N 1.585 122.260 120.500 0.292 0.000 2.408 266 R HA 0.145 4.485 4.340 0.001 0.000 0.308 266 R C 1.184 177.656 176.300 0.287 0.000 1.210 266 R CA -0.204 56.039 56.100 0.238 0.000 1.115 266 R CB 0.313 30.878 30.300 0.443 0.000 1.127 266 R HN 0.355 nan 8.270 nan 0.000 0.523 267 R N 1.287 121.893 120.500 0.175 0.000 2.204 267 R HA -0.253 4.087 4.340 0.001 0.000 0.253 267 R C 1.161 177.508 176.300 0.078 0.000 1.172 267 R CA 1.718 57.909 56.100 0.153 0.000 0.994 267 R CB 0.037 30.371 30.300 0.057 0.000 0.874 267 R HN 0.495 nan 8.270 nan 0.000 0.462 268 E N -0.308 119.873 120.200 -0.033 0.000 2.065 268 E HA -0.236 4.115 4.350 0.001 0.000 0.201 268 E C 1.420 177.914 176.600 -0.177 0.000 1.016 268 E CA 1.593 57.874 56.400 -0.198 0.000 0.818 268 E CB -0.643 28.761 29.700 -0.495 0.000 0.749 268 E HN 0.476 nan 8.360 nan 0.000 0.453 269 Y N 1.115 121.463 120.300 0.080 0.000 2.716 269 Y HA -0.080 4.470 4.550 0.001 0.000 0.302 269 Y C 1.164 177.122 175.900 0.096 0.000 1.160 269 Y CA 0.669 58.801 58.100 0.054 0.000 1.362 269 Y CB -0.306 38.234 38.460 0.134 0.000 0.988 269 Y HN -0.006 nan 8.280 nan 0.000 0.546 270 D N -0.468 120.053 120.400 0.202 0.000 2.378 270 D HA -0.074 4.567 4.640 0.001 0.000 0.227 270 D C 0.805 177.138 176.300 0.055 0.000 1.012 270 D CA 0.651 54.745 54.000 0.156 0.000 0.905 270 D CB -0.299 40.541 40.800 0.067 0.000 0.895 270 D HN 0.520 nan 8.370 nan 0.000 0.532 271 N N -0.763 117.937 118.700 0.001 0.000 2.236 271 N HA 0.149 4.889 4.740 0.001 0.000 0.196 271 N C 0.231 175.651 175.510 -0.149 0.000 1.114 271 N CA -0.257 52.752 53.050 -0.068 0.000 0.859 271 N CB 1.076 39.514 38.487 -0.083 0.000 0.982 271 N HN 0.065 nan 8.380 nan 0.000 0.493 272 I N 1.388 121.816 120.570 -0.237 0.000 2.775 272 I HA -0.092 4.078 4.170 0.001 0.000 0.290 272 I C 0.150 175.900 176.117 -0.613 0.000 1.203 272 I CA 0.570 61.539 61.300 -0.551 0.000 1.433 272 I CB 0.669 38.026 38.000 -1.072 0.000 1.354 272 I HN 0.034 nan 8.210 nan 0.000 0.579 273 S N 6.200 121.631 115.700 -0.449 0.000 3.170 273 S HA 0.182 4.653 4.470 0.001 0.000 0.257 273 S C -0.656 173.651 174.600 -0.488 0.000 1.284 273 S CA -0.654 57.365 58.200 -0.302 0.000 0.973 273 S CB -0.298 62.848 63.200 -0.090 0.000 1.330 273 S HN 0.328 nan 8.310 nan 0.000 0.493 274 W N 2.223 123.194 121.300 -0.547 0.000 2.347 274 W HA 0.083 4.743 4.660 0.001 0.000 0.333 274 W C 1.562 177.596 176.519 -0.809 0.000 1.383 274 W CA -0.339 56.356 57.345 -1.084 0.000 1.283 274 W CB 0.294 29.245 29.460 -0.849 0.000 1.253 274 W HN 0.604 nan 8.180 nan 0.000 0.563 275 E N 2.864 122.632 120.200 -0.719 0.000 2.204 275 E HA -0.328 4.022 4.350 0.001 0.000 0.195 275 E C 0.463 176.955 176.600 -0.181 0.000 0.990 275 E CA 0.919 57.250 56.400 -0.115 0.000 0.821 275 E CB -0.142 29.739 29.700 0.301 0.000 0.750 275 E HN 0.504 nan 8.360 nan 0.000 0.477 276 N N 2.077 120.549 118.700 -0.379 0.000 2.701 276 N HA -0.256 4.484 4.740 0.001 0.000 0.257 276 N C -0.634 174.708 175.510 -0.280 0.000 0.969 276 N CA 1.034 53.727 53.050 -0.595 0.000 0.786 276 N CB -1.981 36.033 38.487 -0.787 0.000 0.917 276 N HN 0.282 nan 8.380 nan 0.000 0.541 277 N N 0.792 119.416 118.700 -0.128 0.000 2.434 277 N HA 0.012 4.752 4.740 0.001 0.000 0.273 277 N C 1.006 176.520 175.510 0.008 0.000 1.210 277 N CA 0.153 53.135 53.050 -0.112 0.000 0.992 277 N CB 0.234 38.514 38.487 -0.344 0.000 1.355 277 N HN 0.240 nan 8.380 nan 0.000 0.495 278 E N 1.196 121.473 120.200 0.128 0.000 2.324 278 E HA -0.293 4.057 4.350 0.001 0.000 0.205 278 E C 1.202 177.948 176.600 0.244 0.000 1.031 278 E CA 1.313 57.896 56.400 0.305 0.000 0.836 278 E CB 0.085 29.928 29.700 0.239 0.000 0.742 278 E HN 0.650 nan 8.360 nan 0.000 0.491 279 S N -1.175 114.571 115.700 0.077 0.000 2.357 279 S HA -0.131 4.339 4.470 0.001 0.000 0.221 279 S C 1.587 176.299 174.600 0.187 0.000 1.031 279 S CA 0.810 59.043 58.200 0.056 0.000 0.982 279 S CB -0.171 62.975 63.200 -0.088 0.000 0.853 279 S HN 0.323 nan 8.310 nan 0.000 0.458 280 Y N 0.839 121.253 120.300 0.191 0.000 2.181 280 Y HA -0.015 4.536 4.550 0.001 0.000 0.288 280 Y C 2.165 178.242 175.900 0.295 0.000 1.146 280 Y CA 0.519 58.749 58.100 0.216 0.000 1.164 280 Y CB -1.395 37.167 38.460 0.170 0.000 0.982 280 Y HN 0.399 nan 8.280 nan 0.000 0.515 281 F N 1.400 121.534 119.950 0.307 0.000 2.120 281 F HA -0.234 4.293 4.527 0.001 0.000 0.300 281 F C 2.270 178.248 175.800 0.296 0.000 1.095 281 F CA 2.003 60.171 58.000 0.280 0.000 1.249 281 F CB -0.385 38.798 39.000 0.306 0.000 0.995 281 F HN 0.039 nan 8.300 nan 0.000 0.480 282 E N 0.435 120.715 120.200 0.133 0.000 2.106 282 E HA -0.101 4.249 4.350 0.001 0.000 0.192 282 E C 2.222 178.830 176.600 0.013 0.000 0.984 282 E CA 1.361 57.738 56.400 -0.037 0.000 0.806 282 E CB -0.641 29.094 29.700 0.057 0.000 0.750 282 E HN 0.380 nan 8.360 nan 0.000 0.458 283 A N -0.262 122.652 122.820 0.156 0.000 1.933 283 A HA -0.158 4.162 4.320 0.001 0.000 0.218 283 A C 2.140 179.836 177.584 0.186 0.000 1.175 283 A CA 1.480 53.624 52.037 0.178 0.000 0.628 283 A CB -1.233 17.929 19.000 0.269 0.000 0.814 283 A HN 0.583 nan 8.150 nan 0.000 0.444 284 W N 0.937 122.263 121.300 0.044 0.000 2.355 284 W HA -0.146 4.515 4.660 0.001 0.000 0.309 284 W C 2.026 178.490 176.519 -0.092 0.000 1.206 284 W CA 2.097 59.468 57.345 0.044 0.000 1.284 284 W CB -0.087 29.454 29.460 0.134 0.000 1.145 284 W HN 0.228 nan 8.180 nan 0.000 0.502 285 K N -0.092 120.156 120.400 -0.252 0.000 2.147 285 K HA -0.179 4.141 4.320 0.001 0.000 0.205 285 K C 1.677 178.101 176.600 -0.293 0.000 1.049 285 K CA 1.828 57.750 56.287 -0.609 0.000 0.936 285 K CB -0.263 31.713 32.500 -0.873 0.000 0.722 285 K HN 0.290 nan 8.250 nan 0.000 0.446 286 E N -0.602 119.504 120.200 -0.156 0.000 2.442 286 E HA 0.027 4.377 4.350 0.001 0.000 0.195 286 E C 0.558 177.136 176.600 -0.037 0.000 1.030 286 E CA 0.248 56.612 56.400 -0.060 0.000 0.869 286 E CB 0.515 30.206 29.700 -0.016 0.000 0.857 286 E HN 0.423 nan 8.360 nan 0.000 0.505 287 G N 2.229 110.988 108.800 -0.068 0.000 2.225 287 G HA2 -0.309 3.651 3.960 0.001 0.000 0.264 287 G HA3 -0.309 3.651 3.960 0.001 0.000 0.264 287 G C 0.332 175.260 174.900 0.046 0.000 1.060 287 G CA 0.025 45.106 45.100 -0.032 0.000 0.833 287 G HN 0.175 nan 8.290 nan 0.000 0.498 288 R N -0.088 120.442 120.500 0.051 0.000 2.696 288 R HA 0.214 4.554 4.340 0.001 0.000 0.355 288 R C 0.817 177.155 176.300 0.063 0.000 1.138 288 R CA 0.141 56.270 56.100 0.049 0.000 1.059 288 R CB 0.571 30.902 30.300 0.051 0.000 1.380 288 R HN 0.319 nan 8.270 nan 0.000 0.578 289 T N -1.170 113.443 114.554 0.098 0.000 2.788 289 T HA 0.271 4.621 4.350 0.001 0.000 0.280 289 T C 1.394 176.173 174.700 0.131 0.000 0.984 289 T CA -0.043 62.168 62.100 0.184 0.000 0.972 289 T CB 1.323 70.278 68.868 0.144 0.000 1.039 289 T HN 0.379 nan 8.240 nan 0.000 0.530 290 G N 0.385 109.364 108.800 0.298 0.000 2.985 290 G HA2 0.119 4.080 3.960 0.001 0.000 0.209 290 G HA3 0.119 4.080 3.960 0.001 0.000 0.209 290 G C -0.428 174.610 174.900 0.229 0.000 1.165 290 G CA 0.138 45.313 45.100 0.125 0.000 0.776 290 G HN 0.611 nan 8.290 nan 0.000 0.541 291 Y N 0.021 120.365 120.300 0.074 0.000 2.353 291 Y HA 0.353 4.903 4.550 0.001 0.000 0.340 291 Y C -1.463 174.450 175.900 0.021 0.000 0.972 291 Y CA -3.118 54.925 58.100 -0.095 0.000 1.157 291 Y CB 1.734 39.888 38.460 -0.510 0.000 1.157 291 Y HN -0.066 nan 8.280 nan 0.000 0.495 292 P HA -0.275 nan 4.420 nan 0.000 0.217 292 P C 1.808 179.164 177.300 0.093 0.000 1.162 292 P CA 1.528 64.723 63.100 0.158 0.000 0.901 292 P CB 0.336 32.095 31.700 0.098 0.000 0.793 293 I N -1.260 119.352 120.570 0.070 0.000 2.286 293 I HA -0.185 3.985 4.170 0.001 0.000 0.248 293 I C 1.838 177.986 176.117 0.052 0.000 1.115 293 I CA 1.493 62.853 61.300 0.100 0.000 1.392 293 I CB -0.751 37.288 38.000 0.065 0.000 1.065 293 I HN -0.171 nan 8.210 nan 0.000 0.418 294 I N 0.311 120.847 120.570 -0.057 0.000 2.252 294 I HA -0.217 3.953 4.170 0.001 0.000 0.245 294 I C 2.061 178.135 176.117 -0.072 0.000 1.102 294 I CA 1.245 62.468 61.300 -0.127 0.000 1.385 294 I CB -1.591 36.153 38.000 -0.426 0.000 1.064 294 I HN 0.234 nan 8.210 nan 0.000 0.414 295 D N 1.298 121.694 120.400 -0.007 0.000 2.117 295 D HA -0.104 4.537 4.640 0.001 0.000 0.197 295 D C 2.289 178.592 176.300 0.004 0.000 0.987 295 D CA 1.542 55.563 54.000 0.035 0.000 0.829 295 D CB 0.001 40.913 40.800 0.187 0.000 0.961 295 D HN 0.284 nan 8.370 nan 0.000 0.460 296 A N 0.976 123.796 122.820 -0.000 0.000 1.877 296 A HA -0.029 4.291 4.320 0.001 0.000 0.216 296 A C 2.378 179.873 177.584 -0.148 0.000 1.186 296 A CA 2.168 54.139 52.037 -0.111 0.000 0.620 296 A CB -1.158 17.706 19.000 -0.227 0.000 0.822 296 A HN 0.294 nan 8.150 nan 0.000 0.443 297 G N -0.496 108.330 108.800 0.043 0.000 2.514 297 G HA2 -0.266 3.695 3.960 0.001 0.000 0.217 297 G HA3 -0.266 3.695 3.960 0.001 0.000 0.217 297 G C 1.518 176.337 174.900 -0.134 0.000 1.198 297 G CA 1.517 46.633 45.100 0.025 0.000 0.780 297 G HN 0.331 nan 8.290 nan 0.000 0.565 298 M N 0.419 119.931 119.600 -0.148 0.000 2.108 298 M HA -0.016 4.465 4.480 0.001 0.000 0.261 298 M C 2.575 178.784 176.300 -0.152 0.000 1.066 298 M CA 1.137 56.318 55.300 -0.198 0.000 1.107 298 M CB -1.127 31.285 32.600 -0.314 0.000 1.356 298 M HN 0.242 nan 8.290 nan 0.000 0.406 299 R N -0.461 119.964 120.500 -0.125 0.000 2.073 299 R HA -0.103 4.238 4.340 0.001 0.000 0.234 299 R C 2.322 178.512 176.300 -0.184 0.000 1.134 299 R CA 1.508 57.571 56.100 -0.062 0.000 0.952 299 R CB -0.447 29.881 30.300 0.047 0.000 0.850 299 R HN 0.380 nan 8.270 nan 0.000 0.433 300 M N 0.905 120.189 119.600 -0.527 0.000 2.065 300 M HA -0.190 4.290 4.480 0.001 0.000 0.259 300 M C 2.230 178.197 176.300 -0.556 0.000 1.069 300 M CA 1.594 56.206 55.300 -1.147 0.000 1.110 300 M CB -0.192 31.467 32.600 -1.567 0.000 1.328 300 M HN 0.180 nan 8.290 nan 0.000 0.405 301 L N 1.599 122.601 121.223 -0.367 0.000 2.051 301 L HA -0.286 4.054 4.340 0.001 0.000 0.214 301 L C 1.869 178.669 176.870 -0.117 0.000 1.076 301 L CA 2.063 56.750 54.840 -0.256 0.000 0.758 301 L CB -1.197 40.699 42.059 -0.272 0.000 0.890 301 L HN 0.406 nan 8.230 nan 0.000 0.433 302 N N -0.396 118.272 118.700 -0.052 0.000 2.166 302 N HA -0.142 4.598 4.740 0.001 0.000 0.186 302 N C 1.913 177.552 175.510 0.215 0.000 1.019 302 N CA 1.699 54.802 53.050 0.088 0.000 0.856 302 N CB -0.303 38.233 38.487 0.081 0.000 0.993 302 N HN 0.690 nan 8.380 nan 0.000 0.426 303 S N -1.700 114.079 115.700 0.132 0.000 2.486 303 S HA 0.071 4.542 4.470 0.001 0.000 0.220 303 S C 1.817 176.470 174.600 0.089 0.000 1.011 303 S CA 0.712 59.050 58.200 0.229 0.000 0.921 303 S CB 0.308 63.663 63.200 0.257 0.000 0.785 303 S HN 0.181 nan 8.310 nan 0.000 0.517 304 T N -0.001 114.469 114.554 -0.141 0.000 3.018 304 T HA 0.425 4.775 4.350 0.001 0.000 0.246 304 T C 1.311 175.619 174.700 -0.652 0.000 1.026 304 T CA 1.090 63.002 62.100 -0.312 0.000 1.081 304 T CB -0.540 68.260 68.868 -0.114 0.000 0.970 304 T HN 1.021 nan 8.240 nan 0.000 0.475 305 G N 0.507 109.032 108.800 -0.457 0.000 2.136 305 G HA2 -0.229 3.731 3.960 0.001 0.000 0.242 305 G HA3 -0.229 3.731 3.960 0.001 0.000 0.242 305 G C -0.104 174.737 174.900 -0.097 0.000 0.989 305 G CA 0.544 45.469 45.100 -0.292 0.000 0.682 305 G HN 0.735 nan 8.290 nan 0.000 0.522 306 Y N -0.182 120.005 120.300 -0.189 0.000 2.571 306 Y HA 0.675 5.226 4.550 0.001 0.000 0.341 306 Y C -0.738 175.068 175.900 -0.157 0.000 1.076 306 Y CA -0.941 57.099 58.100 -0.099 0.000 1.029 306 Y CB 1.501 40.058 38.460 0.161 0.000 1.308 306 Y HN 0.753 nan 8.280 nan 0.000 0.461 307 I N 2.423 122.292 120.570 -1.169 0.000 2.785 307 I HA 0.395 4.566 4.170 0.001 0.000 0.293 307 I C -1.521 173.999 176.117 -0.996 0.000 1.446 307 I CA -1.241 59.581 61.300 -0.797 0.000 1.028 307 I CB 1.857 39.589 38.000 -0.446 0.000 1.349 307 I HN 0.714 nan 8.210 nan 0.000 0.438 308 N N 3.363 121.714 118.700 -0.581 0.000 2.371 308 N HA 0.139 4.879 4.740 0.001 0.000 0.243 308 N C 1.112 176.393 175.510 -0.382 0.000 1.287 308 N CA 0.416 53.236 53.050 -0.383 0.000 0.911 308 N CB 0.971 39.328 38.487 -0.217 0.000 1.142 308 N HN 0.919 nan 8.380 nan 0.000 0.451 309 G N 0.402 109.012 108.800 -0.318 0.000 2.475 309 G HA2 -0.342 3.618 3.960 0.001 0.000 0.220 309 G HA3 -0.342 3.618 3.960 0.001 0.000 0.220 309 G C 1.577 176.241 174.900 -0.393 0.000 1.125 309 G CA 0.963 45.860 45.100 -0.338 0.000 0.755 309 G HN 0.647 nan 8.290 nan 0.000 0.565 310 R N 0.122 120.347 120.500 -0.459 0.000 2.062 310 R HA 0.024 4.365 4.340 0.001 0.000 0.231 310 R C 2.705 178.729 176.300 -0.460 0.000 1.136 310 R CA 1.429 57.191 56.100 -0.562 0.000 0.948 310 R CB -1.008 28.837 30.300 -0.760 0.000 0.845 310 R HN 0.201 nan 8.270 nan 0.000 0.430 311 V N 0.574 120.247 119.914 -0.402 0.000 2.407 311 V HA -0.189 3.932 4.120 0.001 0.000 0.248 311 V C 2.419 178.409 176.094 -0.173 0.000 1.055 311 V CA 2.011 64.144 62.300 -0.277 0.000 1.049 311 V CB -0.499 31.154 31.823 -0.283 0.000 0.662 311 V HN 0.289 nan 8.190 nan 0.000 0.455 312 R N 0.351 120.730 120.500 -0.203 0.000 2.094 312 R HA -0.229 4.111 4.340 0.001 0.000 0.239 312 R C 2.392 178.652 176.300 -0.068 0.000 1.137 312 R CA 2.511 58.565 56.100 -0.078 0.000 0.943 312 R CB -0.375 29.828 30.300 -0.160 0.000 0.850 312 R HN 0.719 nan 8.270 nan 0.000 0.433 313 M N -1.140 118.347 119.600 -0.188 0.000 2.447 313 M HA 0.017 4.497 4.480 0.001 0.000 0.264 313 M C 1.564 177.837 176.300 -0.045 0.000 1.095 313 M CA 1.429 56.635 55.300 -0.156 0.000 1.125 313 M CB -0.042 32.452 32.600 -0.177 0.000 1.389 313 M HN 0.068 nan 8.290 nan 0.000 0.459 314 L N 0.358 121.507 121.223 -0.123 0.000 2.056 314 L HA -0.100 4.240 4.340 0.001 0.000 0.207 314 L C 2.608 179.612 176.870 0.224 0.000 1.078 314 L CA 0.746 55.568 54.840 -0.030 0.000 0.749 314 L CB -0.511 41.459 42.059 -0.148 0.000 0.901 314 L HN 0.207 nan 8.230 nan 0.000 0.433 315 V N -0.004 120.031 119.914 0.200 0.000 2.358 315 V HA -0.277 3.844 4.120 0.001 0.000 0.246 315 V C 2.693 179.126 176.094 0.565 0.000 1.047 315 V CA 1.829 64.380 62.300 0.420 0.000 1.035 315 V CB -0.488 31.565 31.823 0.384 0.000 0.658 315 V HN 0.477 nan 8.190 nan 0.000 0.452 316 A N -0.627 122.319 122.820 0.210 0.000 1.898 316 A HA -0.232 4.088 4.320 0.001 0.000 0.216 316 A C 2.096 179.779 177.584 0.164 0.000 1.181 316 A CA 1.979 53.946 52.037 -0.117 0.000 0.620 316 A CB -0.724 17.736 19.000 -0.900 0.000 0.819 316 A HN 0.563 nan 8.150 nan 0.000 0.442 317 F N -0.367 119.643 119.950 0.101 0.000 2.069 317 F HA -0.206 4.322 4.527 0.001 0.000 0.298 317 F C 1.918 177.824 175.800 0.178 0.000 1.113 317 F CA 2.039 60.131 58.000 0.154 0.000 1.214 317 F CB -0.675 38.484 39.000 0.265 0.000 0.978 317 F HN 0.255 nan 8.300 nan 0.000 0.474 318 F N 0.405 120.359 119.950 0.006 0.000 2.120 318 F HA -0.224 4.304 4.527 0.001 0.000 0.300 318 F C 2.102 177.789 175.800 -0.188 0.000 1.095 318 F CA 1.872 59.786 58.000 -0.144 0.000 1.249 318 F CB -0.612 38.430 39.000 0.069 0.000 0.995 318 F HN 0.147 nan 8.300 nan 0.000 0.480 319 L N -0.706 120.494 121.223 -0.040 0.000 2.109 319 L HA -0.092 4.249 4.340 0.001 0.000 0.207 319 L C 1.940 178.658 176.870 -0.254 0.000 1.086 319 L CA 1.472 56.078 54.840 -0.390 0.000 0.760 319 L CB -0.583 40.903 42.059 -0.955 0.000 0.910 319 L HN 0.030 nan 8.230 nan 0.000 0.437 320 V N -0.763 119.087 119.914 -0.106 0.000 2.374 320 V HA -0.103 4.017 4.120 0.001 0.000 0.241 320 V C 2.093 178.259 176.094 0.120 0.000 1.034 320 V CA 1.548 63.879 62.300 0.052 0.000 1.037 320 V CB -0.513 31.425 31.823 0.193 0.000 0.682 320 V HN 0.320 nan 8.190 nan 0.000 0.463 321 K N -0.586 119.699 120.400 -0.192 0.000 2.417 321 K HA 0.212 4.533 4.320 0.001 0.000 0.196 321 K C 1.121 177.513 176.600 -0.347 0.000 1.023 321 K CA 0.195 56.331 56.287 -0.253 0.000 1.122 321 K CB 0.784 32.993 32.500 -0.485 0.000 0.850 321 K HN 0.304 nan 8.250 nan 0.000 0.521 322 V N -0.343 119.302 119.914 -0.447 0.000 3.159 322 V HA 0.017 4.138 4.120 0.001 0.000 0.234 322 V C 1.260 177.101 176.094 -0.422 0.000 1.313 322 V CA 0.198 62.199 62.300 -0.498 0.000 1.271 322 V CB 0.336 31.601 31.823 -0.929 0.000 1.053 322 V HN 0.149 nan 8.190 nan 0.000 0.476 323 L N -0.170 120.791 121.223 -0.436 0.000 2.592 323 L HA 0.269 4.610 4.340 0.001 0.000 0.227 323 L C 0.896 177.829 176.870 0.104 0.000 1.127 323 L CA 0.082 54.779 54.840 -0.239 0.000 0.884 323 L CB -0.003 41.940 42.059 -0.193 0.000 1.065 323 L HN 0.366 nan 8.230 nan 0.000 0.457 324 F N 1.174 121.083 119.950 -0.068 0.000 2.943 324 F HA -0.229 4.299 4.527 0.001 0.000 0.258 324 F C -0.514 175.341 175.800 0.092 0.000 0.995 324 F CA -0.103 57.961 58.000 0.107 0.000 0.896 324 F CB -1.230 37.862 39.000 0.153 0.000 0.821 324 F HN -0.216 nan 8.300 nan 0.000 0.828 325 V N 2.073 121.915 119.914 -0.120 0.000 2.513 325 V HA 0.240 4.360 4.120 0.001 0.000 0.299 325 V C 0.409 175.962 176.094 -0.902 0.000 1.035 325 V CA -1.028 60.924 62.300 -0.580 0.000 0.889 325 V CB 1.716 33.187 31.823 -0.586 0.000 0.988 325 V HN 0.272 nan 8.190 nan 0.000 0.440 326 D N 4.553 124.047 120.400 -1.510 0.000 2.586 326 D HA -0.115 4.526 4.640 0.001 0.000 0.234 326 D C 1.385 176.830 176.300 -1.425 0.000 1.132 326 D CA -0.004 52.661 54.000 -2.225 0.000 0.860 326 D CB 0.557 40.205 40.800 -1.919 0.000 1.159 326 D HN 0.683 nan 8.370 nan 0.000 0.490 327 W N 4.812 125.402 121.300 -1.184 0.000 2.341 327 W HA -0.197 4.463 4.660 0.001 0.000 0.283 327 W C 1.239 177.360 176.519 -0.663 0.000 1.215 327 W CA 0.077 57.028 57.345 -0.657 0.000 1.211 327 W CB -0.726 28.593 29.460 -0.234 0.000 1.131 327 W HN 0.396 nan 8.180 nan 0.000 0.552 328 R N -0.455 119.386 120.500 -1.098 0.000 2.120 328 R HA -0.152 4.188 4.340 0.001 0.000 0.234 328 R C 1.999 178.072 176.300 -0.379 0.000 1.123 328 R CA 2.124 57.777 56.100 -0.745 0.000 0.975 328 R CB -0.737 29.082 30.300 -0.802 0.000 0.866 328 R HN 0.123 nan 8.270 nan 0.000 0.446 329 W N 0.145 120.995 121.300 -0.751 0.000 2.379 329 W HA 0.033 4.693 4.660 0.001 0.000 0.307 329 W C 2.435 178.673 176.519 -0.467 0.000 1.200 329 W CA 1.343 58.291 57.345 -0.661 0.000 1.297 329 W CB -1.148 27.716 29.460 -0.993 0.000 1.140 329 W HN 0.160 nan 8.180 nan 0.000 0.507 330 G N -0.427 108.072 108.800 -0.501 0.000 2.402 330 G HA2 -0.268 3.692 3.960 0.001 0.000 0.216 330 G HA3 -0.268 3.692 3.960 0.001 0.000 0.216 330 G C 1.423 175.752 174.900 -0.953 0.000 1.162 330 G CA 1.062 45.727 45.100 -0.724 0.000 0.777 330 G HN 0.354 nan 8.290 nan 0.000 0.539 331 E N 0.306 119.682 120.200 -1.373 0.000 2.070 331 E HA -0.220 4.130 4.350 0.001 0.000 0.197 331 E C 2.479 179.051 176.600 -0.046 0.000 1.004 331 E CA 1.076 56.995 56.400 -0.802 0.000 0.805 331 E CB -0.195 29.341 29.700 -0.272 0.000 0.744 331 E HN 0.417 nan 8.360 nan 0.000 0.451 332 R N -0.864 119.591 120.500 -0.075 0.000 2.075 332 R HA -0.178 4.162 4.340 0.001 0.000 0.232 332 R C 2.427 178.700 176.300 -0.046 0.000 1.126 332 R CA 1.455 57.449 56.100 -0.177 0.000 0.963 332 R CB -0.397 29.645 30.300 -0.430 0.000 0.858 332 R HN 0.286 nan 8.270 nan 0.000 0.435 333 Y N 0.252 120.597 120.300 0.075 0.000 2.128 333 Y HA -0.250 4.301 4.550 0.001 0.000 0.284 333 Y C 1.769 177.885 175.900 0.359 0.000 1.154 333 Y CA 1.548 59.799 58.100 0.252 0.000 1.149 333 Y CB -0.468 38.313 38.460 0.534 0.000 0.976 333 Y HN -0.012 nan 8.280 nan 0.000 0.505 334 F N 0.061 120.124 119.950 0.189 0.000 2.126 334 F HA -0.180 4.347 4.527 0.001 0.000 0.299 334 F C 2.633 178.425 175.800 -0.013 0.000 1.096 334 F CA 1.124 59.230 58.000 0.177 0.000 1.255 334 F CB -1.400 37.943 39.000 0.570 0.000 0.997 334 F HN 0.148 nan 8.300 nan 0.000 0.479 335 A N -1.489 121.373 122.820 0.071 0.000 2.076 335 A HA -0.188 4.133 4.320 0.001 0.000 0.220 335 A C 2.246 179.571 177.584 -0.430 0.000 1.160 335 A CA 2.134 53.829 52.037 -0.570 0.000 0.653 335 A CB -1.141 17.427 19.000 -0.719 0.000 0.801 335 A HN 0.341 nan 8.150 nan 0.000 0.455 336 T N -1.345 113.040 114.554 -0.282 0.000 3.067 336 T HA 0.038 4.388 4.350 0.001 0.000 0.261 336 T C 1.711 176.270 174.700 -0.235 0.000 1.110 336 T CA 1.126 63.064 62.100 -0.270 0.000 1.113 336 T CB -0.001 68.692 68.868 -0.291 0.000 0.917 336 T HN 0.356 nan 8.240 nan 0.000 0.499 337 K N -0.104 120.165 120.400 -0.217 0.000 2.443 337 K HA 0.278 4.599 4.320 0.001 0.000 0.200 337 K C 0.222 176.852 176.600 0.051 0.000 1.278 337 K CA -0.176 56.057 56.287 -0.090 0.000 0.925 337 K CB -0.220 32.137 32.500 -0.237 0.000 1.225 337 K HN 0.136 nan 8.250 nan 0.000 0.514 338 L N 2.448 123.642 121.223 -0.048 0.000 2.601 338 L HA -0.053 4.288 4.340 0.001 0.000 0.277 338 L C 1.650 178.556 176.870 0.060 0.000 1.219 338 L CA 0.506 55.330 54.840 -0.026 0.000 0.915 338 L CB 0.178 42.253 42.059 0.027 0.000 1.160 338 L HN -0.114 nan 8.230 nan 0.000 0.494 339 V N 3.265 123.166 119.914 -0.023 0.000 2.871 339 V HA -0.093 4.028 4.120 0.001 0.000 0.256 339 V C 1.250 177.243 176.094 -0.169 0.000 1.082 339 V CA 1.578 63.826 62.300 -0.088 0.000 1.105 339 V CB -0.277 31.342 31.823 -0.339 0.000 0.713 339 V HN 1.030 nan 8.190 nan 0.000 0.473 340 D N -1.855 118.456 120.400 -0.148 0.000 2.463 340 D HA -0.001 4.640 4.640 0.001 0.000 0.224 340 D C 0.578 176.826 176.300 -0.086 0.000 1.174 340 D CA -0.760 53.137 54.000 -0.172 0.000 0.829 340 D CB -1.006 39.693 40.800 -0.168 0.000 0.993 340 D HN 0.539 nan 8.370 nan 0.000 0.497 341 Y N 1.820 122.070 120.300 -0.083 0.000 2.916 341 Y HA 0.006 4.557 4.550 0.001 0.000 0.344 341 Y C -0.281 175.560 175.900 -0.098 0.000 1.282 341 Y CA 0.540 58.619 58.100 -0.036 0.000 1.604 341 Y CB 0.378 38.856 38.460 0.030 0.000 1.207 341 Y HN -0.028 nan 8.280 nan 0.000 0.561 342 D N 8.984 128.924 120.400 -0.767 0.000 2.473 342 D HA 0.216 4.857 4.640 0.001 0.000 0.253 342 D C -2.124 173.734 176.300 -0.737 0.000 1.233 342 D CA -2.015 51.569 54.000 -0.693 0.000 0.908 342 D CB 2.139 42.742 40.800 -0.328 0.000 1.170 342 D HN 0.302 nan 8.370 nan 0.000 0.558 343 P HA -0.234 nan 4.420 nan 0.000 0.218 343 P C 1.066 178.486 177.300 0.200 0.000 1.165 343 P CA 2.105 65.060 63.100 -0.241 0.000 0.922 343 P CB 0.329 31.879 31.700 -0.249 0.000 0.794 344 A N -1.352 121.586 122.820 0.198 0.000 1.898 344 A HA -0.143 4.178 4.320 0.001 0.000 0.216 344 A C 2.260 179.844 177.584 0.001 0.000 1.181 344 A CA 1.450 53.599 52.037 0.186 0.000 0.620 344 A CB -1.525 17.580 19.000 0.174 0.000 0.819 344 A HN 0.114 nan 8.150 nan 0.000 0.442 345 I N -0.233 120.321 120.570 -0.027 0.000 2.252 345 I HA -0.221 3.949 4.170 0.001 0.000 0.245 345 I C 2.426 178.439 176.117 -0.174 0.000 1.102 345 I CA 1.608 62.863 61.300 -0.076 0.000 1.385 345 I CB -0.402 37.591 38.000 -0.012 0.000 1.064 345 I HN 0.425 nan 8.210 nan 0.000 0.414 346 N N 1.399 120.091 118.700 -0.012 0.000 2.106 346 N HA -0.235 4.506 4.740 0.001 0.000 0.188 346 N C 1.719 177.376 175.510 0.246 0.000 1.029 346 N CA 1.524 54.696 53.050 0.204 0.000 0.848 346 N CB -0.276 38.495 38.487 0.474 0.000 1.007 346 N HN 0.195 nan 8.380 nan 0.000 0.423 347 N N 0.059 118.873 118.700 0.191 0.000 2.069 347 N HA -0.121 4.620 4.740 0.001 0.000 0.191 347 N C 1.774 177.192 175.510 -0.154 0.000 1.031 347 N CA 1.659 54.788 53.050 0.131 0.000 0.852 347 N CB -0.778 37.745 38.487 0.059 0.000 1.018 347 N HN 0.393 nan 8.380 nan 0.000 0.423 348 G N 1.216 109.769 108.800 -0.412 0.000 2.446 348 G HA2 -0.262 3.698 3.960 0.001 0.000 0.217 348 G HA3 -0.262 3.698 3.960 0.001 0.000 0.217 348 G C 1.618 176.001 174.900 -0.862 0.000 1.168 348 G CA 0.602 45.232 45.100 -0.784 0.000 0.771 348 G HN 0.397 nan 8.290 nan 0.000 0.551 349 N N -0.134 118.028 118.700 -0.896 0.000 2.188 349 N HA -0.102 4.638 4.740 0.001 0.000 0.184 349 N C 1.998 177.347 175.510 -0.267 0.000 1.018 349 N CA 1.037 53.751 53.050 -0.559 0.000 0.858 349 N CB -0.226 37.956 38.487 -0.509 0.000 0.989 349 N HN 0.547 nan 8.380 nan 0.000 0.426 350 W N 2.212 123.394 121.300 -0.198 0.000 2.354 350 W HA -0.061 4.600 4.660 0.001 0.000 0.315 350 W C 2.653 178.988 176.519 -0.307 0.000 1.206 350 W CA 0.612 57.868 57.345 -0.149 0.000 1.290 350 W CB -0.344 29.099 29.460 -0.028 0.000 1.152 350 W HN 0.105 nan 8.180 nan 0.000 0.489 351 Q N -1.376 118.242 119.800 -0.303 0.000 2.135 351 Q HA -0.271 4.070 4.340 0.001 0.000 0.204 351 Q C 1.942 177.828 176.000 -0.190 0.000 0.981 351 Q CA 1.898 57.380 55.803 -0.534 0.000 0.856 351 Q CB -0.991 27.430 28.738 -0.529 0.000 0.902 351 Q HN 0.479 nan 8.270 nan 0.000 0.425 352 W N 1.301 122.465 121.300 -0.227 0.000 2.333 352 W HA -0.212 4.449 4.660 0.001 0.000 0.316 352 W C 1.940 178.375 176.519 -0.140 0.000 1.215 352 W CA 1.020 58.290 57.345 -0.125 0.000 1.278 352 W CB -0.135 29.291 29.460 -0.057 0.000 1.154 352 W HN 0.029 nan 8.180 nan 0.000 0.486 353 I N 0.697 121.392 120.570 0.208 0.000 2.286 353 I HA -0.200 3.970 4.170 0.001 0.000 0.248 353 I C 2.264 178.353 176.117 -0.046 0.000 1.115 353 I CA 1.809 63.183 61.300 0.122 0.000 1.392 353 I CB -1.632 36.429 38.000 0.101 0.000 1.065 353 I HN 0.109 nan 8.210 nan 0.000 0.418 354 A N -0.692 122.103 122.820 -0.042 0.000 2.238 354 A HA 0.055 4.375 4.320 0.001 0.000 0.208 354 A C 1.363 178.877 177.584 -0.116 0.000 1.177 354 A CA 0.724 52.768 52.037 0.012 0.000 0.804 354 A CB -0.284 18.794 19.000 0.131 0.000 0.823 354 A HN 0.395 nan 8.150 nan 0.000 0.482 355 S N -1.434 114.093 115.700 -0.289 0.000 3.635 355 S HA -0.162 4.308 4.470 0.001 0.000 0.328 355 S C 0.927 175.392 174.600 -0.224 0.000 1.135 355 S CA 1.346 59.338 58.200 -0.347 0.000 0.942 355 S CB -2.069 60.828 63.200 -0.504 0.000 0.930 355 S HN 1.344 nan 8.310 nan 0.000 0.512 356 T N -3.033 111.428 114.554 -0.155 0.000 3.091 356 T HA 0.557 4.907 4.350 0.001 0.000 0.277 356 T C 0.795 175.546 174.700 0.085 0.000 0.996 356 T CA 0.437 62.518 62.100 -0.032 0.000 0.897 356 T CB 0.915 69.827 68.868 0.074 0.000 1.109 356 T HN 0.612 nan 8.240 nan 0.000 0.534 357 G N 0.738 109.523 108.800 -0.026 0.000 3.234 357 G HA2 0.485 4.446 3.960 0.001 0.000 0.159 357 G HA3 0.485 4.446 3.960 0.001 0.000 0.159 357 G C 0.705 175.564 174.900 -0.069 0.000 1.175 357 G CA 0.003 45.140 45.100 0.061 0.000 0.900 357 G HN 0.000 nan 8.290 nan 0.000 0.621 358 V N 0.789 120.671 119.914 -0.054 0.000 2.469 358 V HA -0.064 4.057 4.120 0.001 0.000 0.251 358 V C 0.923 176.847 176.094 -0.283 0.000 1.064 358 V CA 1.952 64.226 62.300 -0.044 0.000 1.066 358 V CB -0.370 31.712 31.823 0.433 0.000 0.667 358 V HN 0.545 nan 8.190 nan 0.000 0.461 359 D N -1.589 118.569 120.400 -0.404 0.000 2.316 359 D HA 0.106 4.746 4.640 0.001 0.000 0.245 359 D C 0.390 176.404 176.300 -0.477 0.000 1.171 359 D CA -0.123 53.546 54.000 -0.551 0.000 0.856 359 D CB 0.787 40.734 40.800 -1.421 0.000 1.090 359 D HN 0.304 nan 8.370 nan 0.000 0.476 360 Y N 2.449 122.732 120.300 -0.029 0.000 2.519 360 Y HA 0.061 4.612 4.550 0.001 0.000 0.287 360 Y C 1.318 177.216 175.900 -0.003 0.000 1.128 360 Y CA 0.069 58.190 58.100 0.035 0.000 1.282 360 Y CB -0.373 38.150 38.460 0.106 0.000 1.027 360 Y HN 0.446 nan 8.280 nan 0.000 0.551 361 M N -1.450 118.172 119.600 0.037 0.000 2.247 361 M HA 0.241 4.721 4.480 0.001 0.000 0.326 361 M C -0.834 175.418 176.300 -0.080 0.000 1.134 361 M CA -0.413 54.893 55.300 0.011 0.000 1.136 361 M CB 0.560 33.151 32.600 -0.016 0.000 1.454 361 M HN 0.077 nan 8.290 nan 0.000 0.467 362 F N 3.026 122.883 119.950 -0.154 0.000 2.451 362 F HA 0.417 4.945 4.527 0.001 0.000 0.356 362 F C 0.280 175.943 175.800 -0.228 0.000 1.178 362 F CA -0.408 57.455 58.000 -0.228 0.000 1.210 362 F CB 0.040 38.910 39.000 -0.217 0.000 1.504 362 F HN 0.705 nan 8.300 nan 0.000 0.598 363 R N 4.122 124.338 120.500 -0.472 0.000 2.438 363 R HA 0.565 4.905 4.340 0.001 0.000 0.287 363 R C -1.450 174.526 176.300 -0.540 0.000 1.077 363 R CA -0.250 55.559 56.100 -0.484 0.000 1.034 363 R CB 1.178 31.122 30.300 -0.593 0.000 0.993 363 R HN 0.497 nan 8.270 nan 0.000 0.459 364 V N 5.516 125.115 119.914 -0.524 0.000 2.925 364 V HA 0.613 4.733 4.120 0.001 0.000 0.311 364 V C -1.681 173.888 176.094 -0.876 0.000 1.104 364 V CA -0.704 61.345 62.300 -0.418 0.000 0.954 364 V CB 1.749 33.694 31.823 0.203 0.000 1.022 364 V HN 0.698 nan 8.190 nan 0.000 0.427 365 F N 3.705 123.098 119.950 -0.928 0.000 2.546 365 F HA 0.543 5.070 4.527 0.001 0.000 0.320 365 F C 0.265 175.745 175.800 -0.534 0.000 1.076 365 F CA -0.853 56.733 58.000 -0.689 0.000 0.928 365 F CB 1.735 40.214 39.000 -0.868 0.000 1.189 365 F HN 0.487 nan 8.300 nan 0.000 0.465 366 N N 3.648 122.207 118.700 -0.235 0.000 2.437 366 N HA 0.247 4.987 4.740 0.001 0.000 0.243 366 N C -2.108 173.092 175.510 -0.516 0.000 1.041 366 N CA -2.054 50.610 53.050 -0.643 0.000 0.940 366 N CB 1.416 39.803 38.487 -0.167 0.000 1.133 366 N HN 0.171 nan 8.380 nan 0.000 0.506 367 P HA -0.142 nan 4.420 nan 0.000 0.217 367 P C 0.693 177.735 177.300 -0.430 0.000 1.162 367 P CA 1.851 64.638 63.100 -0.521 0.000 0.901 367 P CB -0.007 31.323 31.700 -0.617 0.000 0.793 368 W N -0.160 121.121 121.300 -0.031 0.000 2.381 368 W HA -0.006 4.655 4.660 0.001 0.000 0.301 368 W C 2.478 179.019 176.519 0.037 0.000 1.205 368 W CA 0.807 58.210 57.345 0.097 0.000 1.285 368 W CB -0.867 28.697 29.460 0.173 0.000 1.133 368 W HN -0.092 nan 8.180 nan 0.000 0.521 369 K N 0.177 120.667 120.400 0.151 0.000 2.026 369 K HA -0.233 4.088 4.320 0.001 0.000 0.208 369 K C 2.086 178.659 176.600 -0.046 0.000 1.048 369 K CA 1.697 58.019 56.287 0.058 0.000 0.929 369 K CB -0.300 32.231 32.500 0.052 0.000 0.713 369 K HN -0.005 nan 8.250 nan 0.000 0.439 370 Q N 1.087 120.847 119.800 -0.067 0.000 2.030 370 Q HA -0.231 4.109 4.340 0.001 0.000 0.204 370 Q C 2.043 178.023 176.000 -0.034 0.000 0.986 370 Q CA 1.860 57.619 55.803 -0.074 0.000 0.843 370 Q CB -0.117 28.566 28.738 -0.092 0.000 0.904 370 Q HN 0.272 nan 8.270 nan 0.000 0.420 371 Q N -0.076 119.725 119.800 0.001 0.000 2.112 371 Q HA -0.281 4.059 4.340 0.001 0.000 0.206 371 Q C 1.881 177.934 176.000 0.088 0.000 0.987 371 Q CA 2.026 57.886 55.803 0.094 0.000 0.858 371 Q CB -0.188 28.638 28.738 0.146 0.000 0.905 371 Q HN 0.537 nan 8.270 nan 0.000 0.420 372 E N -0.119 120.043 120.200 -0.063 0.000 2.208 372 E HA -0.175 4.176 4.350 0.001 0.000 0.193 372 E C 1.876 178.321 176.600 -0.258 0.000 0.988 372 E CA 0.928 57.097 56.400 -0.386 0.000 0.828 372 E CB 0.096 29.575 29.700 -0.369 0.000 0.763 372 E HN 0.254 nan 8.360 nan 0.000 0.478 373 K N -0.573 119.664 120.400 -0.271 0.000 2.098 373 K HA -0.053 4.267 4.320 0.001 0.000 0.203 373 K C 1.059 177.410 176.600 -0.415 0.000 1.051 373 K CA 0.874 56.911 56.287 -0.418 0.000 0.957 373 K CB 0.046 32.108 32.500 -0.730 0.000 0.738 373 K HN 0.085 nan 8.250 nan 0.000 0.447 374 F N 0.338 120.227 119.950 -0.100 0.000 2.765 374 F HA 0.169 4.697 4.527 0.001 0.000 0.302 374 F C 0.183 176.015 175.800 0.054 0.000 1.111 374 F CA -0.018 57.848 58.000 -0.224 0.000 1.359 374 F CB 0.538 39.266 39.000 -0.453 0.000 1.097 374 F HN -0.021 nan 8.300 nan 0.000 0.577 375 D N -0.400 120.149 120.400 0.248 0.000 3.060 375 D HA 0.153 4.793 4.640 0.001 0.000 0.326 375 D C -1.743 174.746 176.300 0.315 0.000 1.253 375 D CA -1.598 52.583 54.000 0.301 0.000 0.737 375 D CB 0.554 41.553 40.800 0.332 0.000 1.260 375 D HN -0.113 nan 8.370 nan 0.000 0.542 376 P HA -0.167 nan 4.420 nan 0.000 0.216 376 P C 0.621 178.108 177.300 0.311 0.000 1.150 376 P CA 1.223 64.436 63.100 0.188 0.000 0.843 376 P CB 0.507 32.266 31.700 0.098 0.000 0.787 377 E N -1.075 119.258 120.200 0.222 0.000 2.479 377 E HA 0.246 4.596 4.350 0.001 0.000 0.193 377 E C 1.264 177.939 176.600 0.125 0.000 1.049 377 E CA 0.337 56.830 56.400 0.154 0.000 0.870 377 E CB -0.407 29.354 29.700 0.100 0.000 0.944 377 E HN 0.217 nan 8.360 nan 0.000 0.492 378 A N 1.423 124.351 122.820 0.180 0.000 2.816 378 A HA -0.348 3.972 4.320 0.001 0.000 0.270 378 A C 1.441 179.080 177.584 0.091 0.000 1.413 378 A CA 1.628 53.722 52.037 0.095 0.000 0.866 378 A CB -2.171 16.767 19.000 -0.103 0.000 1.032 378 A HN 0.299 nan 8.150 nan 0.000 0.642 379 K N -1.795 118.686 120.400 0.136 0.000 2.057 379 K HA -0.109 4.211 4.320 0.001 0.000 0.207 379 K C 1.604 178.299 176.600 0.158 0.000 1.049 379 K CA 1.703 58.058 56.287 0.113 0.000 0.931 379 K CB -0.221 32.353 32.500 0.124 0.000 0.714 379 K HN 0.692 nan 8.250 nan 0.000 0.440 380 F N 2.032 122.051 119.950 0.116 0.000 2.102 380 F HA -0.143 4.385 4.527 0.001 0.000 0.298 380 F C 1.908 177.836 175.800 0.213 0.000 1.105 380 F CA 1.173 59.288 58.000 0.191 0.000 1.239 380 F CB -0.278 38.836 39.000 0.189 0.000 0.991 380 F HN -0.110 nan 8.300 nan 0.000 0.474 381 I N 0.296 120.905 120.570 0.065 0.000 2.163 381 I HA -0.348 3.823 4.170 0.001 0.000 0.243 381 I C 2.347 178.394 176.117 -0.117 0.000 1.085 381 I CA 1.663 62.925 61.300 -0.064 0.000 1.347 381 I CB -0.543 37.462 38.000 0.007 0.000 1.044 381 I HN 0.100 nan 8.210 nan 0.000 0.408 382 K N 0.215 120.560 120.400 -0.091 0.000 2.209 382 K HA -0.228 4.093 4.320 0.001 0.000 0.204 382 K C 1.982 178.470 176.600 -0.187 0.000 1.048 382 K CA 1.198 57.412 56.287 -0.121 0.000 0.940 382 K CB -0.066 32.382 32.500 -0.088 0.000 0.729 382 K HN 0.122 nan 8.250 nan 0.000 0.451 383 E N -0.694 119.354 120.200 -0.253 0.000 2.274 383 E HA -0.135 4.216 4.350 0.001 0.000 0.194 383 E C 0.758 176.882 176.600 -0.793 0.000 0.996 383 E CA 1.133 57.229 56.400 -0.508 0.000 0.840 383 E CB 0.109 29.488 29.700 -0.535 0.000 0.772 383 E HN 0.336 nan 8.360 nan 0.000 0.491 384 W N -1.249 119.877 121.300 -0.290 0.000 2.873 384 W HA 0.313 4.974 4.660 0.001 0.000 0.282 384 W C -0.201 176.212 176.519 -0.176 0.000 1.118 384 W CA -0.284 56.907 57.345 -0.257 0.000 1.480 384 W CB 0.831 30.050 29.460 -0.402 0.000 0.954 384 W HN -0.298 nan 8.180 nan 0.000 0.591 385 V N 2.296 122.203 119.914 -0.012 0.000 2.288 385 V HA 0.100 4.221 4.120 0.001 0.000 0.266 385 V C 1.128 177.189 176.094 -0.056 0.000 1.048 385 V CA -0.287 62.002 62.300 -0.018 0.000 0.842 385 V CB 0.653 32.428 31.823 -0.080 0.000 1.064 385 V HN -0.064 nan 8.190 nan 0.000 0.472 386 E N 4.151 124.339 120.200 -0.020 0.000 2.068 386 E HA -0.285 4.066 4.350 0.001 0.000 0.207 386 E C 2.160 178.738 176.600 -0.037 0.000 1.032 386 E CA 2.415 58.796 56.400 -0.031 0.000 0.839 386 E CB 0.049 29.750 29.700 0.002 0.000 0.758 386 E HN 0.824 nan 8.360 nan 0.000 0.457 387 E N 0.325 120.519 120.200 -0.010 0.000 2.130 387 E HA -0.215 4.136 4.350 0.001 0.000 0.196 387 E C 2.012 178.565 176.600 -0.078 0.000 0.998 387 E CA 1.290 57.684 56.400 -0.010 0.000 0.806 387 E CB -0.593 29.151 29.700 0.074 0.000 0.738 387 E HN 0.417 nan 8.360 nan 0.000 0.459 388 L N 0.907 122.032 121.223 -0.164 0.000 2.627 388 L HA 0.123 4.464 4.340 0.001 0.000 0.232 388 L C 2.138 178.927 176.870 -0.135 0.000 1.150 388 L CA -0.062 54.660 54.840 -0.196 0.000 0.917 388 L CB -0.255 41.613 42.059 -0.318 0.000 1.104 388 L HN -0.004 nan 8.230 nan 0.000 0.445 389 K N 1.545 121.882 120.400 -0.105 0.000 2.160 389 K HA -0.213 4.107 4.320 0.001 0.000 0.206 389 K C 0.761 177.314 176.600 -0.078 0.000 1.047 389 K CA 1.916 58.148 56.287 -0.093 0.000 0.930 389 K CB -0.050 32.402 32.500 -0.081 0.000 0.720 389 K HN 0.331 nan 8.250 nan 0.000 0.450 390 D N -1.238 119.121 120.400 -0.068 0.000 2.469 390 D HA 0.101 4.741 4.640 0.001 0.000 0.213 390 D C -0.691 175.575 176.300 -0.056 0.000 1.135 390 D CA -0.154 53.813 54.000 -0.055 0.000 0.834 390 D CB 0.680 41.455 40.800 -0.042 0.000 1.009 390 D HN -0.133 nan 8.370 nan 0.000 0.507 391 V N 3.689 123.561 119.914 -0.071 0.000 2.585 391 V HA 0.155 4.276 4.120 0.001 0.000 0.296 391 V C -1.852 174.198 176.094 -0.075 0.000 1.035 391 V CA -1.242 61.016 62.300 -0.072 0.000 1.084 391 V CB 0.463 32.231 31.823 -0.092 0.000 0.953 391 V HN 0.059 nan 8.190 nan 0.000 0.483 392 P HA 0.141 nan 4.420 nan 0.000 0.271 392 P C -1.992 175.263 177.300 -0.076 0.000 1.216 392 P CA -1.480 61.589 63.100 -0.052 0.000 0.776 392 P CB 0.603 32.283 31.700 -0.033 0.000 0.881 393 P HA -0.278 nan 4.420 nan 0.000 0.217 393 P C 1.780 179.004 177.300 -0.126 0.000 1.158 393 P CA 1.787 64.797 63.100 -0.150 0.000 0.887 393 P CB -0.337 31.348 31.700 -0.025 0.000 0.792 394 S N -0.517 115.191 115.700 0.013 0.000 2.381 394 S HA -0.202 4.268 4.470 0.001 0.000 0.230 394 S C 2.044 176.652 174.600 0.012 0.000 1.052 394 S CA 1.660 59.898 58.200 0.063 0.000 1.068 394 S CB -0.948 62.273 63.200 0.034 0.000 0.918 394 S HN 0.051 nan 8.310 nan 0.000 0.448 395 I N 0.883 121.426 120.570 -0.045 0.000 2.163 395 I HA -0.138 4.033 4.170 0.001 0.000 0.240 395 I C 2.270 178.335 176.117 -0.086 0.000 1.081 395 I CA 1.251 62.507 61.300 -0.073 0.000 1.353 395 I CB -0.475 37.483 38.000 -0.070 0.000 1.054 395 I HN 0.317 nan 8.210 nan 0.000 0.407 396 I N 0.551 121.048 120.570 -0.122 0.000 2.185 396 I HA -0.365 3.806 4.170 0.001 0.000 0.246 396 I C 2.311 178.433 176.117 0.008 0.000 1.088 396 I CA 1.473 62.698 61.300 -0.125 0.000 1.347 396 I CB -0.726 37.124 38.000 -0.251 0.000 1.041 396 I HN 0.362 nan 8.210 nan 0.000 0.415 397 H N -0.126 119.016 119.070 0.120 0.000 2.563 397 H HA 0.085 4.642 4.556 0.001 0.000 0.272 397 H C 1.324 176.737 175.328 0.142 0.000 1.005 397 H CA 0.649 56.828 56.048 0.218 0.000 1.171 397 H CB 0.125 29.982 29.762 0.159 0.000 1.351 397 H HN 0.280 nan 8.280 nan 0.000 0.602 398 S N -0.407 115.266 115.700 -0.045 0.000 2.993 398 S HA 0.125 4.596 4.470 0.001 0.000 0.257 398 S C 1.450 175.576 174.600 -0.791 0.000 0.997 398 S CA -0.372 57.446 58.200 -0.637 0.000 1.191 398 S CB 0.445 63.366 63.200 -0.465 0.000 1.143 398 S HN 0.220 nan 8.310 nan 0.000 0.655 399 I N 2.415 122.807 120.570 -0.296 0.000 2.908 399 I HA -0.272 3.898 4.170 0.001 0.000 0.271 399 I C 1.741 177.770 176.117 -0.147 0.000 1.275 399 I CA 1.392 62.620 61.300 -0.121 0.000 1.446 399 I CB 0.017 38.094 38.000 0.129 0.000 1.092 399 I HN 0.587 nan 8.210 nan 0.000 0.482 400 Y N -0.902 119.221 120.300 -0.295 0.000 2.519 400 Y HA 0.087 4.637 4.550 0.001 0.000 0.287 400 Y C 2.023 177.818 175.900 -0.175 0.000 1.128 400 Y CA 0.258 58.179 58.100 -0.298 0.000 1.282 400 Y CB -0.831 37.229 38.460 -0.667 0.000 1.027 400 Y HN -0.030 nan 8.280 nan 0.000 0.551 401 K N 0.101 120.211 120.400 -0.483 0.000 2.166 401 K HA 0.025 4.346 4.320 0.001 0.000 0.201 401 K C 1.473 178.000 176.600 -0.122 0.000 1.052 401 K CA 1.086 57.227 56.287 -0.243 0.000 0.969 401 K CB 0.005 32.288 32.500 -0.361 0.000 0.761 401 K HN 0.342 nan 8.250 nan 0.000 0.459 402 T N 0.147 114.620 114.554 -0.134 0.000 3.070 402 T HA 0.216 4.567 4.350 0.001 0.000 0.295 402 T C -1.000 173.700 174.700 0.000 0.000 1.221 402 T CA -0.190 61.876 62.100 -0.055 0.000 0.926 402 T CB 0.559 69.392 68.868 -0.058 0.000 2.158 402 T HN -0.021 nan 8.240 nan 0.000 0.573 403 K N 1.473 121.890 120.400 0.028 0.000 2.599 403 K HA 0.274 4.594 4.320 0.001 0.000 0.300 403 K C -0.860 175.784 176.600 0.073 0.000 1.437 403 K CA -0.244 56.083 56.287 0.067 0.000 0.989 403 K CB -0.441 32.090 32.500 0.052 0.000 1.423 403 K HN 0.566 nan 8.250 nan 0.000 0.507 404 V N 1.148 121.122 119.914 0.101 0.000 3.096 404 V HA 0.672 4.793 4.120 0.001 0.000 0.306 404 V C -1.867 174.290 176.094 0.105 0.000 1.088 404 V CA -1.044 61.306 62.300 0.083 0.000 1.129 404 V CB 0.036 31.898 31.823 0.065 0.000 1.014 404 V HN 0.652 nan 8.190 nan 0.000 0.486 405 P HA 0.257 nan 4.420 nan 0.000 0.271 405 P C 0.886 178.244 177.300 0.097 0.000 1.216 405 P CA 1.271 64.413 63.100 0.071 0.000 0.771 405 P CB 0.963 32.690 31.700 0.045 0.000 0.864 406 G N 1.961 110.819 108.800 0.095 0.000 2.212 406 G HA2 -0.299 3.661 3.960 0.001 0.000 0.266 406 G HA3 -0.299 3.661 3.960 0.001 0.000 0.266 406 G C -0.308 174.695 174.900 0.172 0.000 0.978 406 G CA 0.240 45.405 45.100 0.107 0.000 0.632 406 G HN 0.634 nan 8.290 nan 0.000 0.537 407 Y N 3.414 123.739 120.300 0.043 0.000 2.356 407 Y HA 0.567 5.117 4.550 0.001 0.000 0.334 407 Y C -2.001 173.942 175.900 0.072 0.000 0.958 407 Y CA -2.819 55.315 58.100 0.056 0.000 1.196 407 Y CB 1.791 40.282 38.460 0.051 0.000 1.137 407 Y HN 0.088 nan 8.280 nan 0.000 0.485 408 P HA 0.012 nan 4.420 nan 0.000 0.266 408 P C -0.521 176.589 177.300 -0.317 0.000 1.195 408 P CA 0.204 63.160 63.100 -0.240 0.000 0.768 408 P CB 0.970 32.565 31.700 -0.176 0.000 0.838 409 S N 3.069 118.723 115.700 -0.077 0.000 2.632 409 S HA 0.371 4.842 4.470 0.001 0.000 0.267 409 S C -2.243 172.390 174.600 0.056 0.000 1.276 409 S CA -1.548 56.659 58.200 0.013 0.000 0.998 409 S CB -0.664 62.575 63.200 0.066 0.000 0.953 409 S HN 0.394 nan 8.310 nan 0.000 0.547 410 P HA -0.082 nan 4.420 nan 0.000 0.257 410 P C 0.681 178.145 177.300 0.272 0.000 1.153 410 P CA 0.336 63.566 63.100 0.215 0.000 0.762 410 P CB -0.178 31.632 31.700 0.185 0.000 0.743 411 I N 2.066 122.846 120.570 0.350 0.000 3.680 411 I HA 0.150 4.320 4.170 0.001 0.000 0.306 411 I C 0.120 176.364 176.117 0.211 0.000 1.260 411 I CA -0.218 61.246 61.300 0.273 0.000 1.201 411 I CB -0.234 37.935 38.000 0.281 0.000 1.009 411 I HN 0.131 nan 8.210 nan 0.000 0.467 412 V N -2.783 117.302 119.914 0.285 0.000 3.097 412 V HA 0.224 4.344 4.120 0.001 0.000 0.263 412 V C -1.343 174.955 176.094 0.340 0.000 1.857 412 V CA -1.073 61.340 62.300 0.189 0.000 0.960 412 V CB 1.027 32.831 31.823 -0.031 0.000 1.360 412 V HN 0.373 nan 8.190 nan 0.000 0.456 413 N N 2.332 121.166 118.700 0.223 0.000 2.439 413 N HA 0.188 4.928 4.740 0.001 0.000 0.249 413 N C 1.052 176.683 175.510 0.201 0.000 1.003 413 N CA -0.274 52.925 53.050 0.248 0.000 0.942 413 N CB 0.918 39.449 38.487 0.073 0.000 1.115 413 N HN 1.056 nan 8.380 nan 0.000 0.505 414 W N 5.111 126.603 121.300 0.319 0.000 2.321 414 W HA -0.190 4.471 4.660 0.001 0.000 0.306 414 W C 1.026 177.629 176.519 0.141 0.000 1.217 414 W CA 0.268 57.722 57.345 0.182 0.000 1.257 414 W CB -0.815 28.826 29.460 0.303 0.000 1.145 414 W HN 0.410 nan 8.180 nan 0.000 0.509 415 L N 1.890 122.374 121.223 -1.232 0.000 1.989 415 L HA -0.223 4.118 4.340 0.001 0.000 0.211 415 L C 2.519 179.123 176.870 -0.443 0.000 1.071 415 L CA 2.635 56.779 54.840 -1.160 0.000 0.749 415 L CB -1.000 40.404 42.059 -1.091 0.000 0.890 415 L HN 0.115 nan 8.230 nan 0.000 0.431 416 E N -0.928 119.105 120.200 -0.279 0.000 2.051 416 E HA -0.221 4.129 4.350 0.001 0.000 0.192 416 E C 2.160 178.710 176.600 -0.084 0.000 0.991 416 E CA 0.902 57.216 56.400 -0.143 0.000 0.799 416 E CB -0.052 29.591 29.700 -0.095 0.000 0.748 416 E HN 0.398 nan 8.360 nan 0.000 0.449 417 R N 0.640 121.098 120.500 -0.070 0.000 2.082 417 R HA -0.140 4.201 4.340 0.001 0.000 0.234 417 R C 2.511 178.798 176.300 -0.022 0.000 1.136 417 R CA 1.078 57.159 56.100 -0.032 0.000 0.935 417 R CB -1.277 28.987 30.300 -0.060 0.000 0.842 417 R HN 0.149 nan 8.270 nan 0.000 0.430 418 V N 2.631 122.540 119.914 -0.008 0.000 2.324 418 V HA -0.274 3.847 4.120 0.001 0.000 0.250 418 V C 2.127 178.213 176.094 -0.013 0.000 1.060 418 V CA 1.897 64.236 62.300 0.065 0.000 1.042 418 V CB -0.593 31.371 31.823 0.235 0.000 0.650 418 V HN 0.333 nan 8.190 nan 0.000 0.450 419 N N -0.838 117.821 118.700 -0.069 0.000 2.142 419 N HA -0.186 4.555 4.740 0.001 0.000 0.186 419 N C 1.829 177.257 175.510 -0.136 0.000 1.023 419 N CA 1.862 54.843 53.050 -0.115 0.000 0.852 419 N CB -0.353 38.075 38.487 -0.099 0.000 0.998 419 N HN 0.687 nan 8.380 nan 0.000 0.424 420 Y N 2.042 122.225 120.300 -0.196 0.000 2.163 420 Y HA -0.162 4.388 4.550 0.001 0.000 0.288 420 Y C 2.308 178.011 175.900 -0.328 0.000 1.136 420 Y CA 1.172 59.132 58.100 -0.234 0.000 1.147 420 Y CB -0.261 38.063 38.460 -0.227 0.000 0.987 420 Y HN -0.234 nan 8.280 nan 0.000 0.509 421 V N 1.138 120.788 119.914 -0.440 0.000 2.332 421 V HA -0.341 3.780 4.120 0.001 0.000 0.248 421 V C 2.377 178.306 176.094 -0.274 0.000 1.055 421 V CA 2.392 64.365 62.300 -0.546 0.000 1.038 421 V CB -0.758 30.948 31.823 -0.195 0.000 0.651 421 V HN 0.382 nan 8.190 nan 0.000 0.450 422 K N 0.856 121.034 120.400 -0.369 0.000 2.057 422 K HA -0.188 4.133 4.320 0.001 0.000 0.206 422 K C 2.425 178.772 176.600 -0.422 0.000 1.050 422 K CA 1.741 57.594 56.287 -0.724 0.000 0.935 422 K CB -0.277 31.569 32.500 -1.090 0.000 0.715 422 K HN 0.614 nan 8.250 nan 0.000 0.439 423 S N 0.659 116.129 115.700 -0.383 0.000 2.383 423 S HA -0.153 4.317 4.470 0.001 0.000 0.229 423 S C 1.763 176.192 174.600 -0.285 0.000 1.030 423 S CA 1.053 59.073 58.200 -0.299 0.000 1.002 423 S CB -0.330 62.701 63.200 -0.282 0.000 0.829 423 S HN 0.306 nan 8.310 nan 0.000 0.467 424 E N 0.484 120.432 120.200 -0.421 0.000 2.153 424 E HA -0.071 4.279 4.350 0.001 0.000 0.194 424 E C 1.713 178.232 176.600 -0.134 0.000 0.988 424 E CA 1.051 57.239 56.400 -0.354 0.000 0.811 424 E CB -0.333 29.036 29.700 -0.551 0.000 0.746 424 E HN 0.779 nan 8.360 nan 0.000 0.466 425 Y N 1.164 121.357 120.300 -0.178 0.000 2.153 425 Y HA -0.128 4.423 4.550 0.001 0.000 0.289 425 Y C 2.523 178.448 175.900 0.042 0.000 1.127 425 Y CA 1.295 59.411 58.100 0.027 0.000 1.131 425 Y CB 0.050 38.556 38.460 0.078 0.000 0.995 425 Y HN -0.072 nan 8.280 nan 0.000 0.505 426 K N 0.084 120.546 120.400 0.103 0.000 2.113 426 K HA -0.253 4.067 4.320 0.001 0.000 0.208 426 K C 1.919 178.515 176.600 -0.007 0.000 1.047 426 K CA 1.373 57.678 56.287 0.030 0.000 0.928 426 K CB -0.329 32.137 32.500 -0.056 0.000 0.716 426 K HN 0.294 nan 8.250 nan 0.000 0.446 427 N N 1.122 119.793 118.700 -0.048 0.000 2.036 427 N HA -0.172 4.568 4.740 0.001 0.000 0.195 427 N C 1.753 177.224 175.510 -0.065 0.000 1.037 427 N CA 1.517 54.525 53.050 -0.069 0.000 0.855 427 N CB -0.151 38.274 38.487 -0.104 0.000 1.033 427 N HN -0.055 nan 8.380 nan 0.000 0.423 428 V N 1.342 121.215 119.914 -0.068 0.000 2.380 428 V HA -0.241 3.879 4.120 0.001 0.000 0.251 428 V C 2.347 178.371 176.094 -0.116 0.000 1.063 428 V CA 1.606 63.844 62.300 -0.103 0.000 1.055 428 V CB -0.471 31.274 31.823 -0.130 0.000 0.657 428 V HN 0.244 nan 8.190 nan 0.000 0.455 429 K N 0.723 121.073 120.400 -0.082 0.000 2.009 429 K HA 0.003 4.324 4.320 0.001 0.000 0.210 429 K C 1.334 177.894 176.600 -0.067 0.000 1.049 429 K CA 1.251 57.489 56.287 -0.081 0.000 0.929 429 K CB -0.873 31.611 32.500 -0.026 0.000 0.714 429 K HN 0.563 nan 8.250 nan 0.000 0.440 430 A N 0.000 122.789 122.820 -0.052 0.000 2.254 430 A HA 0.000 4.321 4.320 0.001 0.000 0.244 430 A CA 0.000 52.009 52.037 -0.047 0.000 0.836 430 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486