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 3oet_1_B DATA FIRST_RESID -2 DATA SEQUENCE SNAXKILVDE NXPYARELFS RLGEVKAVPG XPIXVEELNH ADALXVRSVT DATA SEQUENCE KVNESLLSGT PINFVGTATA GTDHVDEAWL KQAGIGFSAA PGCNAIAVVE DATA SEQUENCE YVFSALLXLA ERDGFSLRDR TIGIVGVGNV GSRLQTRLEA LGIRTLLCDP DATA SEQUENCE PRAARGDEGD FRTLDELVQE ADVLTFHTPL YKDGPYKTLH LADETLIRRL DATA SEQUENCE KPGAILINAC RGPVVDNAAL LARLNAGQPL SVVLDVWEGE PDLNVALLEA DATA SEQUENCE VDIGTSHIAG YTLEGKARGT TQVFEAYSAF IGREQRVALE TLLPAPEFGR DATA SEQUENCE ITLHGPLDQP TLKRLAHLVY DVRRDDAPLR KVAGIPGEFD KLRKNYLERR DATA SEQUENCE EWSSLYVXCD DETAAALLCK LGFNAVHHP 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 -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.614 174.600 0.023 0.000 1.055 -2 S CA 0.000 58.216 58.200 0.026 0.000 1.107 -2 S CB 0.000 63.216 63.200 0.027 0.000 0.593 -1 N N 1.553 120.265 118.700 0.021 0.000 2.380 -1 N HA 0.641 5.380 4.740 -0.001 0.000 0.255 -1 N C 0.044 175.566 175.510 0.020 0.000 1.158 -1 N CA 0.526 53.586 53.050 0.016 0.000 0.878 -1 N CB 1.376 39.869 38.487 0.009 0.000 1.138 -1 N HN 0.893 nan 8.380 nan 0.000 0.509 3 I N 5.703 126.308 120.570 0.057 0.000 2.447 3 I HA 0.368 4.538 4.170 -0.001 0.000 0.287 3 I C -0.463 175.616 176.117 -0.064 0.000 1.023 3 I CA -0.940 60.343 61.300 -0.029 0.000 1.083 3 I CB 1.470 39.440 38.000 -0.050 0.000 1.245 3 I HN 0.405 nan 8.210 nan 0.000 0.434 4 L N 6.720 127.890 121.223 -0.088 0.000 2.357 4 L HA 0.709 5.048 4.340 -0.001 0.000 0.273 4 L C -0.380 176.407 176.870 -0.138 0.000 1.080 4 L CA -0.915 53.880 54.840 -0.074 0.000 0.803 4 L CB 1.874 43.911 42.059 -0.037 0.000 1.174 4 L HN 0.427 nan 8.230 nan 0.000 0.443 5 V N -1.681 118.171 119.914 -0.104 0.000 2.851 5 V HA 0.354 4.474 4.120 -0.001 0.000 0.307 5 V C -0.573 175.485 176.094 -0.060 0.000 1.129 5 V CA -1.049 61.179 62.300 -0.119 0.000 0.932 5 V CB 1.846 33.593 31.823 -0.127 0.000 1.024 5 V HN 0.721 nan 8.190 nan 0.000 0.426 6 D N 3.601 123.971 120.400 -0.051 0.000 2.533 6 D HA -0.055 4.584 4.640 -0.001 0.000 0.236 6 D C 1.290 177.569 176.300 -0.035 0.000 1.137 6 D CA 0.966 54.943 54.000 -0.039 0.000 0.867 6 D CB 1.520 42.297 40.800 -0.039 0.000 1.170 6 D HN 0.999 nan 8.370 nan 0.000 0.474 7 E N 3.245 123.424 120.200 -0.036 0.000 2.338 7 E HA -0.153 4.196 4.350 -0.001 0.000 0.197 7 E C -0.123 176.447 176.600 -0.050 0.000 1.007 7 E CA 0.382 56.760 56.400 -0.036 0.000 0.849 7 E CB 0.170 29.850 29.700 -0.033 0.000 0.774 7 E HN 0.329 nan 8.360 nan 0.000 0.506 11 Y N -0.268 120.033 120.300 0.002 0.000 4.907 11 Y HA -0.250 4.299 4.550 -0.001 0.000 0.246 11 Y C 1.760 177.665 175.900 0.008 0.000 0.968 11 Y CA 0.874 58.962 58.100 -0.022 0.000 1.961 11 Y CB -2.492 35.931 38.460 -0.061 0.000 1.487 11 Y HN 0.571 nan 8.280 nan 0.000 0.575 12 A N 0.066 122.987 122.820 0.168 0.000 1.902 12 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 12 A C 2.303 180.066 177.584 0.298 0.000 1.181 12 A CA 2.038 54.266 52.037 0.317 0.000 0.623 12 A CB -0.519 18.628 19.000 0.245 0.000 0.818 12 A HN 0.550 nan 8.150 nan 0.000 0.443 13 R N -0.458 120.137 120.500 0.157 0.000 2.070 13 R HA -0.130 4.209 4.340 -0.001 0.000 0.233 13 R C 2.024 178.387 176.300 0.105 0.000 1.137 13 R CA 1.615 57.789 56.100 0.124 0.000 0.945 13 R CB -0.200 30.142 30.300 0.070 0.000 0.845 13 R HN 0.523 nan 8.270 nan 0.000 0.430 14 E N 0.454 120.696 120.200 0.071 0.000 2.204 14 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 14 E C 2.086 178.635 176.600 -0.085 0.000 0.989 14 E CA 0.867 57.276 56.400 0.015 0.000 0.824 14 E CB -0.015 29.704 29.700 0.032 0.000 0.756 14 E HN 0.428 nan 8.360 nan 0.000 0.477 15 L N -0.706 120.416 121.223 -0.167 0.000 2.071 15 L HA -0.010 4.329 4.340 -0.001 0.000 0.201 15 L C 2.270 178.943 176.870 -0.327 0.000 1.076 15 L CA 0.734 55.245 54.840 -0.550 0.000 0.755 15 L CB -0.415 41.078 42.059 -0.943 0.000 0.915 15 L HN -0.006 nan 8.230 nan 0.000 0.445 16 F N 0.417 120.413 119.950 0.078 0.000 2.546 16 F HA -0.123 4.404 4.527 -0.001 0.000 0.298 16 F C 2.601 178.510 175.800 0.183 0.000 1.120 16 F CA 0.941 59.086 58.000 0.242 0.000 1.456 16 F CB -0.548 38.572 39.000 0.200 0.000 1.088 16 F HN 0.119 nan 8.300 nan 0.000 0.572 17 S N 0.112 115.953 115.700 0.235 0.000 2.786 17 S HA 0.014 4.484 4.470 -0.001 0.000 0.223 17 S C 1.350 176.031 174.600 0.135 0.000 0.956 17 S CA -0.146 58.153 58.200 0.166 0.000 0.961 17 S CB -0.537 62.729 63.200 0.110 0.000 0.784 17 S HN 0.431 nan 8.310 nan 0.000 0.519 18 R N 0.151 120.752 120.500 0.168 0.000 2.393 18 R HA 0.447 4.787 4.340 -0.001 0.000 0.244 18 R C 0.723 177.125 176.300 0.170 0.000 0.920 18 R CA 0.121 56.312 56.100 0.152 0.000 1.076 18 R CB 0.038 30.438 30.300 0.166 0.000 1.119 18 R HN 0.408 nan 8.270 nan 0.000 0.524 19 L N -1.370 119.982 121.223 0.215 0.000 3.174 19 L HA 0.447 4.786 4.340 -0.001 0.000 0.283 19 L C 0.655 177.629 176.870 0.174 0.000 1.187 19 L CA -0.287 54.659 54.840 0.177 0.000 1.018 19 L CB 1.351 43.552 42.059 0.238 0.000 1.433 19 L HN 0.228 nan 8.230 nan 0.000 0.593 20 G N 0.232 109.143 108.800 0.185 0.000 2.317 20 G HA2 0.095 4.055 3.960 -0.001 0.000 0.293 20 G HA3 0.095 4.055 3.960 -0.001 0.000 0.293 20 G C -1.997 172.990 174.900 0.145 0.000 1.287 20 G CA -0.617 44.580 45.100 0.162 0.000 0.850 20 G HN -0.094 nan 8.290 nan 0.000 0.515 21 E N -0.374 119.898 120.200 0.119 0.000 2.227 21 E HA 0.553 4.902 4.350 -0.001 0.000 0.282 21 E C -0.627 176.031 176.600 0.097 0.000 1.015 21 E CA -0.599 55.859 56.400 0.097 0.000 0.823 21 E CB 1.515 31.260 29.700 0.074 0.000 1.081 21 E HN 0.359 nan 8.360 nan 0.000 0.396 22 V N 3.234 123.202 119.914 0.090 0.000 2.435 22 V HA 0.354 4.474 4.120 -0.001 0.000 0.290 22 V C -0.192 175.929 176.094 0.044 0.000 1.030 22 V CA -0.910 61.435 62.300 0.075 0.000 0.881 22 V CB 1.428 33.319 31.823 0.113 0.000 0.983 22 V HN 0.457 nan 8.190 nan 0.000 0.445 23 K N 2.877 123.289 120.400 0.020 0.000 2.450 23 K HA 0.751 5.070 4.320 -0.001 0.000 0.257 23 K C -0.131 176.466 176.600 -0.004 0.000 0.953 23 K CA -0.033 56.261 56.287 0.011 0.000 0.844 23 K CB 1.228 33.734 32.500 0.011 0.000 1.103 23 K HN 1.166 nan 8.250 nan 0.000 0.429 24 A N 3.129 125.948 122.820 -0.001 0.000 2.409 24 A HA 0.575 4.894 4.320 -0.001 0.000 0.267 24 A C 0.268 177.843 177.584 -0.015 0.000 1.127 24 A CA -0.124 51.907 52.037 -0.010 0.000 0.795 24 A CB -0.050 18.946 19.000 -0.006 0.000 1.061 24 A HN 1.216 nan 8.150 nan 0.000 0.502 25 V N 0.306 120.208 119.914 -0.021 0.000 3.102 25 V HA 0.870 4.989 4.120 -0.001 0.000 0.312 25 V C -2.922 173.158 176.094 -0.024 0.000 1.135 25 V CA -2.474 59.814 62.300 -0.020 0.000 1.022 25 V CB 2.113 33.925 31.823 -0.018 0.000 1.056 25 V HN 0.710 nan 8.190 nan 0.000 0.436 26 P HA 0.378 nan 4.420 nan 0.000 0.276 26 P C 0.145 177.430 177.300 -0.025 0.000 1.252 26 P CA 0.276 63.362 63.100 -0.024 0.000 0.802 26 P CB 1.154 32.841 31.700 -0.021 0.000 1.035 33 E N 2.312 122.516 120.200 0.006 0.000 2.086 33 E HA -0.354 3.995 4.350 -0.001 0.000 0.205 33 E C 1.953 178.530 176.600 -0.038 0.000 1.027 33 E CA 2.883 59.269 56.400 -0.024 0.000 0.830 33 E CB -0.200 29.469 29.700 -0.052 0.000 0.751 33 E HN 0.805 nan 8.360 nan 0.000 0.456 34 E N -0.611 119.577 120.200 -0.020 0.000 2.299 34 E HA 0.020 4.370 4.350 -0.001 0.000 0.193 34 E C 1.954 178.595 176.600 0.068 0.000 0.998 34 E CA 0.464 56.862 56.400 -0.003 0.000 0.851 34 E CB -0.080 29.613 29.700 -0.011 0.000 0.795 34 E HN 0.393 nan 8.360 nan 0.000 0.492 35 L N 0.705 121.968 121.223 0.066 0.000 1.989 35 L HA -0.205 4.135 4.340 -0.001 0.000 0.211 35 L C 1.816 178.759 176.870 0.121 0.000 1.071 35 L CA 1.265 56.152 54.840 0.077 0.000 0.749 35 L CB -0.609 41.483 42.059 0.055 0.000 0.890 35 L HN 0.165 nan 8.230 nan 0.000 0.431 36 N N -0.613 118.190 118.700 0.172 0.000 2.430 36 N HA -0.166 4.574 4.740 -0.001 0.000 0.186 36 N C 0.634 176.234 175.510 0.151 0.000 1.032 36 N CA 1.113 54.276 53.050 0.189 0.000 0.893 36 N CB -0.358 38.272 38.487 0.238 0.000 0.957 36 N HN 0.476 nan 8.380 nan 0.000 0.442 37 H N -1.185 117.902 119.070 0.029 0.000 2.481 37 H HA 0.614 5.170 4.556 -0.001 0.000 0.273 37 H C -0.194 175.155 175.328 0.035 0.000 1.145 37 H CA -0.598 55.469 56.048 0.031 0.000 0.964 37 H CB 0.254 30.031 29.762 0.026 0.000 1.722 37 H HN 0.096 nan 8.280 nan 0.000 0.573 38 A N -0.322 122.570 122.820 0.120 0.000 2.423 38 A HA 0.483 4.803 4.320 -0.001 0.000 0.304 38 A C 0.031 177.666 177.584 0.086 0.000 1.104 38 A CA -0.650 51.441 52.037 0.091 0.000 0.757 38 A CB 1.547 20.588 19.000 0.068 0.000 1.313 38 A HN 0.208 nan 8.150 nan 0.000 0.423 39 D N -0.048 120.410 120.400 0.098 0.000 2.394 39 D HA 0.344 4.984 4.640 -0.001 0.000 0.226 39 D C 0.638 177.035 176.300 0.162 0.000 0.990 39 D CA 1.434 55.516 54.000 0.136 0.000 0.902 39 D CB 0.541 41.437 40.800 0.161 0.000 1.038 39 D HN 0.691 nan 8.370 nan 0.000 0.499 40 A N 0.429 123.307 122.820 0.096 0.000 2.435 40 A HA 0.628 4.947 4.320 -0.001 0.000 0.304 40 A C -1.216 176.313 177.584 -0.092 0.000 1.064 40 A CA -0.422 51.614 52.037 -0.001 0.000 0.727 40 A CB 1.978 20.818 19.000 -0.266 0.000 1.284 40 A HN 0.073 nan 8.150 nan 0.000 0.415 44 R N 0.185 120.660 120.500 -0.041 0.000 2.810 44 R HA 0.643 4.982 4.340 -0.001 0.000 0.245 44 R C 1.718 177.800 176.300 -0.364 0.000 1.168 44 R CA -0.062 55.973 56.100 -0.109 0.000 1.096 44 R CB 1.735 31.979 30.300 -0.094 0.000 1.259 44 R HN 1.112 nan 8.270 nan 0.000 0.518 45 S N 0.055 115.478 115.700 -0.460 0.000 2.359 45 S HA -0.200 4.269 4.470 -0.001 0.000 0.223 45 S C 2.115 176.393 174.600 -0.537 0.000 1.039 45 S CA 1.963 59.664 58.200 -0.831 0.000 1.042 45 S CB -1.175 61.848 63.200 -0.295 0.000 0.915 45 S HN 0.576 nan 8.310 nan 0.000 0.439 46 V N 0.493 120.261 119.914 -0.244 0.000 2.511 46 V HA -0.086 4.034 4.120 -0.001 0.000 0.257 46 V C 1.016 177.059 176.094 -0.085 0.000 1.088 46 V CA 1.881 64.109 62.300 -0.120 0.000 1.098 46 V CB -2.069 29.707 31.823 -0.078 0.000 0.674 46 V HN 0.580 nan 8.190 nan 0.000 0.470 47 T N 2.087 116.581 114.554 -0.101 0.000 2.747 47 T HA 0.237 4.587 4.350 -0.001 0.000 0.301 47 T C -0.082 174.664 174.700 0.077 0.000 0.952 47 T CA -0.223 61.872 62.100 -0.010 0.000 0.983 47 T CB 0.593 69.463 68.868 0.004 0.000 0.930 47 T HN 0.485 nan 8.240 nan 0.000 0.494 48 K N 2.778 123.216 120.400 0.063 0.000 2.395 48 K HA 0.158 4.478 4.320 -0.001 0.000 0.283 48 K C 0.325 176.956 176.600 0.051 0.000 1.068 48 K CA -0.433 55.901 56.287 0.078 0.000 1.039 48 K CB 0.083 32.599 32.500 0.027 0.000 0.924 48 K HN 0.509 nan 8.250 nan 0.000 0.468 49 V N 5.101 125.051 119.914 0.060 0.000 2.304 49 V HA 0.223 4.343 4.120 -0.001 0.000 0.262 49 V C 0.154 176.236 176.094 -0.019 0.000 1.061 49 V CA -0.678 61.637 62.300 0.024 0.000 0.872 49 V CB -0.367 31.468 31.823 0.020 0.000 1.077 49 V HN 0.982 nan 8.190 nan 0.000 0.480 50 N N 2.611 121.273 118.700 -0.063 0.000 3.294 50 N HA 0.287 5.027 4.740 -0.001 0.000 0.355 50 N C 0.942 176.184 175.510 -0.446 0.000 1.497 50 N CA -0.778 52.165 53.050 -0.178 0.000 0.707 50 N CB 0.740 39.107 38.487 -0.200 0.000 1.732 50 N HN 0.234 nan 8.380 nan 0.000 0.640 51 E N -0.383 119.281 120.200 -0.894 0.000 2.072 51 E HA -0.125 4.225 4.350 -0.001 0.000 0.190 51 E C 1.164 177.394 176.600 -0.617 0.000 0.982 51 E CA 1.013 56.544 56.400 -1.449 0.000 0.803 51 E CB -0.097 28.710 29.700 -1.489 0.000 0.755 51 E HN 0.505 nan 8.360 nan 0.000 0.453 52 S N 0.010 115.478 115.700 -0.387 0.000 2.474 52 S HA -0.105 4.365 4.470 -0.001 0.000 0.235 52 S C 1.772 176.293 174.600 -0.132 0.000 0.997 52 S CA 0.551 58.626 58.200 -0.209 0.000 0.949 52 S CB -0.087 63.018 63.200 -0.158 0.000 0.766 52 S HN 0.302 nan 8.310 nan 0.000 0.517 53 L N 0.486 121.631 121.223 -0.130 0.000 2.168 53 L HA 0.342 4.682 4.340 -0.001 0.000 0.203 53 L C 1.829 178.694 176.870 -0.010 0.000 1.078 53 L CA 1.429 56.239 54.840 -0.051 0.000 0.780 53 L CB -0.321 41.721 42.059 -0.028 0.000 0.939 53 L HN 0.301 nan 8.230 nan 0.000 0.451 54 L N -0.898 120.327 121.223 0.004 0.000 2.185 54 L HA 0.122 4.462 4.340 -0.001 0.000 0.198 54 L C 1.193 178.154 176.870 0.151 0.000 1.079 54 L CA 0.601 55.521 54.840 0.132 0.000 0.780 54 L CB -0.872 41.379 42.059 0.321 0.000 0.955 54 L HN 0.337 nan 8.230 nan 0.000 0.462 55 S N 1.036 116.829 115.700 0.155 0.000 2.931 55 S HA 0.087 4.557 4.470 -0.001 0.000 0.342 55 S C 1.027 175.683 174.600 0.094 0.000 1.220 55 S CA 0.426 58.732 58.200 0.177 0.000 1.045 55 S CB 0.229 63.476 63.200 0.078 0.000 0.758 55 S HN 0.718 nan 8.310 nan 0.000 0.508 56 G N 2.206 111.067 108.800 0.100 0.000 2.179 56 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.220 56 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.220 56 G C 0.180 175.115 174.900 0.058 0.000 0.990 56 G CA 0.347 45.484 45.100 0.063 0.000 0.646 56 G HN 1.922 nan 8.290 nan 0.000 0.517 57 T N -2.565 112.034 114.554 0.076 0.000 2.924 57 T HA 0.734 5.083 4.350 -0.001 0.000 0.291 57 T C -1.560 173.176 174.700 0.061 0.000 1.045 57 T CA -0.972 61.166 62.100 0.064 0.000 1.015 57 T CB 2.715 71.630 68.868 0.079 0.000 1.103 57 T HN -0.116 nan 8.240 nan 0.000 0.496 58 P HA 0.273 nan 4.420 nan 0.000 0.236 58 P C 0.346 177.694 177.300 0.079 0.000 1.177 58 P CA -0.087 63.044 63.100 0.051 0.000 0.773 58 P CB -0.289 31.431 31.700 0.034 0.000 0.878 59 I N 1.566 122.187 120.570 0.086 0.000 3.148 59 I HA -0.199 3.970 4.170 -0.001 0.000 0.317 59 I C 1.693 177.876 176.117 0.111 0.000 1.237 59 I CA 0.896 62.255 61.300 0.099 0.000 1.423 59 I CB -0.114 37.939 38.000 0.087 0.000 1.352 59 I HN 0.130 nan 8.210 nan 0.000 0.526 60 N N 5.767 124.566 118.700 0.166 0.000 2.250 60 N HA 0.080 4.820 4.740 -0.001 0.000 0.190 60 N C -0.301 175.352 175.510 0.237 0.000 1.116 60 N CA -0.051 53.130 53.050 0.218 0.000 0.881 60 N CB 0.749 39.419 38.487 0.305 0.000 1.006 60 N HN 0.440 nan 8.380 nan 0.000 0.491 61 F N 1.077 121.023 119.950 -0.006 0.000 2.591 61 F HA 0.456 4.983 4.527 -0.000 0.000 0.309 61 F C -1.500 174.214 175.800 -0.144 0.000 1.098 61 F CA -0.673 57.214 58.000 -0.189 0.000 0.937 61 F CB 1.697 40.542 39.000 -0.259 0.000 1.250 61 F HN -0.358 nan 8.300 nan 0.000 0.447 62 V N 4.438 124.010 119.914 -0.571 0.000 2.407 62 V HA 0.746 4.865 4.120 -0.001 0.000 0.291 62 V C 0.010 175.849 176.094 -0.425 0.000 1.018 62 V CA -0.574 61.581 62.300 -0.241 0.000 0.842 62 V CB 1.324 33.128 31.823 -0.031 0.000 0.996 62 V HN 0.994 nan 8.190 nan 0.000 0.426 63 G N 1.571 110.374 108.800 0.005 0.000 2.470 63 G HA2 0.576 4.536 3.960 -0.001 0.000 0.320 63 G HA3 0.576 4.536 3.960 -0.001 0.000 0.320 63 G C -0.633 174.320 174.900 0.088 0.000 1.245 63 G CA -0.476 44.700 45.100 0.126 0.000 0.935 63 G HN 0.586 nan 8.290 nan 0.000 0.476 64 T N 0.426 115.023 114.554 0.072 0.000 2.792 64 T HA 0.529 4.879 4.350 -0.001 0.000 0.280 64 T C 0.586 175.369 174.700 0.139 0.000 0.990 64 T CA -0.046 62.160 62.100 0.177 0.000 0.960 64 T CB 1.028 70.114 68.868 0.363 0.000 0.939 64 T HN 0.858 nan 8.240 nan 0.000 0.439 65 A N 4.489 127.390 122.820 0.135 0.000 3.117 65 A HA 0.532 4.852 4.320 -0.001 0.000 0.255 65 A C 0.769 178.418 177.584 0.109 0.000 1.583 65 A CA -0.216 51.894 52.037 0.123 0.000 1.234 65 A CB -1.091 17.979 19.000 0.117 0.000 1.076 65 A HN 0.958 nan 8.150 nan 0.000 0.653 66 T N -5.126 109.505 114.554 0.128 0.000 2.843 66 T HA 0.670 5.019 4.350 -0.001 0.000 0.302 66 T C 0.748 175.522 174.700 0.124 0.000 1.232 66 T CA -0.017 62.164 62.100 0.136 0.000 1.009 66 T CB 1.527 70.518 68.868 0.205 0.000 1.254 66 T HN 0.491 nan 8.240 nan 0.000 0.504 67 A N 1.041 123.928 122.820 0.113 0.000 1.861 67 A HA 0.617 4.937 4.320 -0.001 0.000 0.212 67 A C 1.445 179.096 177.584 0.110 0.000 1.199 67 A CA 0.864 52.957 52.037 0.092 0.000 0.613 67 A CB -1.140 17.902 19.000 0.071 0.000 0.846 67 A HN 1.265 nan 8.150 nan 0.000 0.446 68 G N -1.464 107.416 108.800 0.133 0.000 2.562 68 G HA2 0.405 4.365 3.960 -0.001 0.000 0.275 68 G HA3 0.405 4.365 3.960 -0.001 0.000 0.275 68 G C 0.483 175.486 174.900 0.172 0.000 1.196 68 G CA 0.630 45.812 45.100 0.137 0.000 0.908 68 G HN 0.685 nan 8.290 nan 0.000 0.524 69 T N -2.933 111.674 114.554 0.088 0.000 3.332 69 T HA 0.178 4.528 4.350 -0.001 0.000 0.304 69 T C 0.414 174.997 174.700 -0.195 0.000 0.971 69 T CA -0.122 61.944 62.100 -0.056 0.000 0.954 69 T CB 0.578 69.488 68.868 0.069 0.000 1.175 69 T HN 0.248 nan 8.240 nan 0.000 0.519 70 D N 2.303 122.682 120.400 -0.035 0.000 2.269 70 D HA -0.077 4.562 4.640 -0.001 0.000 0.208 70 D C 1.897 178.194 176.300 -0.005 0.000 0.963 70 D CA 0.970 54.967 54.000 -0.004 0.000 0.864 70 D CB -0.134 40.705 40.800 0.064 0.000 0.936 70 D HN 0.775 nan 8.370 nan 0.000 0.505 71 H N -0.865 118.208 119.070 0.006 0.000 2.547 71 H HA 0.128 4.684 4.556 -0.001 0.000 0.266 71 H C 0.139 175.446 175.328 -0.034 0.000 0.988 71 H CA 0.103 56.147 56.048 -0.007 0.000 1.147 71 H CB -0.176 29.591 29.762 0.009 0.000 1.365 71 H HN -0.134 nan 8.280 nan 0.000 0.589 72 V N 2.361 122.029 119.914 -0.411 0.000 2.384 72 V HA 0.039 4.158 4.120 -0.001 0.000 0.287 72 V C 0.154 176.072 176.094 -0.292 0.000 1.020 72 V CA -0.810 61.246 62.300 -0.406 0.000 0.850 72 V CB 1.985 33.412 31.823 -0.659 0.000 0.987 72 V HN 0.172 nan 8.190 nan 0.000 0.436 73 D N 3.770 124.056 120.400 -0.190 0.000 2.608 73 D HA 0.104 4.744 4.640 -0.001 0.000 0.224 73 D C 1.326 177.531 176.300 -0.159 0.000 1.123 73 D CA 0.047 53.983 54.000 -0.107 0.000 1.030 73 D CB 0.434 41.235 40.800 0.001 0.000 1.093 73 D HN 0.665 nan 8.370 nan 0.000 0.497 74 E N 0.622 120.625 120.200 -0.328 0.000 2.219 74 E HA -0.216 4.134 4.350 -0.001 0.000 0.198 74 E C 1.746 178.236 176.600 -0.183 0.000 0.998 74 E CA 0.969 57.119 56.400 -0.417 0.000 0.818 74 E CB 0.184 29.634 29.700 -0.417 0.000 0.741 74 E HN 0.412 nan 8.360 nan 0.000 0.477 75 A N 0.387 123.155 122.820 -0.087 0.000 1.970 75 A HA -0.121 4.199 4.320 -0.001 0.000 0.216 75 A C 1.776 179.374 177.584 0.024 0.000 1.170 75 A CA 0.716 52.738 52.037 -0.025 0.000 0.645 75 A CB -0.608 18.393 19.000 0.002 0.000 0.816 75 A HN 0.502 nan 8.150 nan 0.000 0.447 76 W N 0.443 121.679 121.300 -0.107 0.000 2.523 76 W HA 0.095 4.754 4.660 -0.001 0.000 0.278 76 W C 1.530 177.997 176.519 -0.086 0.000 1.236 76 W CA 0.910 58.205 57.345 -0.083 0.000 1.306 76 W CB -0.069 29.346 29.460 -0.076 0.000 1.101 76 W HN 0.203 nan 8.180 nan 0.000 0.577 77 L N 0.966 122.102 121.223 -0.145 0.000 1.955 77 L HA -0.277 4.063 4.340 -0.001 0.000 0.213 77 L C 2.612 179.282 176.870 -0.334 0.000 1.072 77 L CA 2.083 56.736 54.840 -0.312 0.000 0.755 77 L CB -1.266 40.662 42.059 -0.218 0.000 0.888 77 L HN -0.094 nan 8.230 nan 0.000 0.432 78 K N 0.167 120.442 120.400 -0.208 0.000 2.015 78 K HA -0.357 3.963 4.320 -0.001 0.000 0.220 78 K C 2.203 178.684 176.600 -0.199 0.000 1.055 78 K CA 2.449 58.647 56.287 -0.147 0.000 0.951 78 K CB -0.328 32.119 32.500 -0.089 0.000 0.725 78 K HN 0.267 nan 8.250 nan 0.000 0.449 79 Q N -0.310 119.350 119.800 -0.233 0.000 2.118 79 Q HA -0.234 4.106 4.340 -0.001 0.000 0.211 79 Q C 1.504 177.276 176.000 -0.381 0.000 0.998 79 Q CA 2.224 57.870 55.803 -0.263 0.000 0.872 79 Q CB -0.329 28.269 28.738 -0.234 0.000 0.925 79 Q HN 0.475 nan 8.270 nan 0.000 0.414 80 A N -0.440 121.970 122.820 -0.683 0.000 2.259 80 A HA 0.323 4.642 4.320 -0.001 0.000 0.208 80 A C 1.237 178.609 177.584 -0.354 0.000 1.201 80 A CA 0.703 52.346 52.037 -0.656 0.000 0.824 80 A CB -0.496 17.749 19.000 -1.257 0.000 0.838 80 A HN 0.755 nan 8.150 nan 0.000 0.485 81 G N -0.254 108.395 108.800 -0.251 0.000 2.246 81 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.273 81 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.273 81 G C -0.108 174.745 174.900 -0.080 0.000 1.055 81 G CA 0.415 45.446 45.100 -0.115 0.000 0.851 81 G HN 0.551 nan 8.290 nan 0.000 0.500 82 I N 1.210 121.688 120.570 -0.153 0.000 2.354 82 I HA 0.438 4.608 4.170 -0.001 0.000 0.286 82 I C 1.266 177.295 176.117 -0.146 0.000 1.007 82 I CA -0.629 60.599 61.300 -0.119 0.000 1.167 82 I CB 1.462 39.354 38.000 -0.181 0.000 1.320 82 I HN 0.189 nan 8.210 nan 0.000 0.458 83 G N 5.861 114.565 108.800 -0.160 0.000 2.353 83 G HA2 0.156 4.116 3.960 -0.001 0.000 0.239 83 G HA3 0.156 4.116 3.960 -0.001 0.000 0.239 83 G C -1.052 173.342 174.900 -0.843 0.000 1.295 83 G CA 0.179 45.037 45.100 -0.403 0.000 0.884 83 G HN 0.470 nan 8.290 nan 0.000 0.537 84 F N 2.016 121.514 119.950 -0.754 0.000 2.565 84 F HA 0.713 5.240 4.527 -0.001 0.000 0.313 84 F C -0.285 175.239 175.800 -0.460 0.000 1.091 84 F CA -1.204 56.361 58.000 -0.725 0.000 0.915 84 F CB 2.573 41.352 39.000 -0.368 0.000 1.208 84 F HN 0.570 nan 8.300 nan 0.000 0.453 85 S N 4.014 118.931 115.700 -1.305 0.000 2.543 85 S HA 0.876 5.345 4.470 -0.001 0.000 0.271 85 S C -1.247 172.863 174.600 -0.816 0.000 1.148 85 S CA -0.041 57.626 58.200 -0.889 0.000 0.914 85 S CB 1.024 64.150 63.200 -0.122 0.000 1.096 85 S HN 1.226 nan 8.310 nan 0.000 0.471 86 A N 2.564 125.023 122.820 -0.601 0.000 2.452 86 A HA 0.957 5.277 4.320 -0.001 0.000 0.285 86 A C 0.066 177.611 177.584 -0.066 0.000 1.209 86 A CA -0.286 51.604 52.037 -0.244 0.000 0.940 86 A CB 0.816 19.750 19.000 -0.109 0.000 1.440 86 A HN 1.643 nan 8.150 nan 0.000 0.480 87 A N 0.673 123.502 122.820 0.015 0.000 3.165 87 A HA 0.637 4.957 4.320 -0.001 0.000 0.331 87 A C -2.785 174.825 177.584 0.043 0.000 1.034 87 A CA -1.382 50.680 52.037 0.042 0.000 0.906 87 A CB -0.472 18.570 19.000 0.070 0.000 1.054 87 A HN 0.414 nan 8.150 nan 0.000 0.484 88 P HA 0.262 nan 4.420 nan 0.000 0.265 88 P C 1.231 178.550 177.300 0.031 0.000 1.193 88 P CA 2.031 65.152 63.100 0.036 0.000 0.765 88 P CB 0.858 32.577 31.700 0.032 0.000 0.823 89 G N 2.340 111.157 108.800 0.028 0.000 2.205 89 G HA2 -0.400 3.560 3.960 -0.001 0.000 0.261 89 G HA3 -0.400 3.560 3.960 -0.001 0.000 0.261 89 G C 1.279 176.190 174.900 0.018 0.000 0.980 89 G CA 0.319 45.429 45.100 0.017 0.000 0.632 89 G HN 0.691 nan 8.290 nan 0.000 0.533 90 C N 0.532 119.851 119.300 0.032 0.000 2.403 90 C HA -0.026 4.434 4.460 -0.001 0.000 0.277 90 C C 2.138 177.144 174.990 0.027 0.000 1.248 90 C CA 1.841 60.881 59.018 0.036 0.000 1.762 90 C CB -1.010 26.763 27.740 0.055 0.000 2.014 90 C HN 0.890 nan 8.230 nan 0.000 0.486 91 N N 1.157 119.871 118.700 0.023 0.000 2.204 91 N HA 0.377 5.116 4.740 -0.001 0.000 0.219 91 N C 1.122 176.621 175.510 -0.018 0.000 1.151 91 N CA 0.594 53.651 53.050 0.012 0.000 0.867 91 N CB -0.495 38.011 38.487 0.032 0.000 1.043 91 N HN 0.556 nan 8.380 nan 0.000 0.516 92 A N 1.223 124.029 122.820 -0.023 0.000 1.902 92 A HA -0.004 4.316 4.320 -0.001 0.000 0.217 92 A C 2.052 179.593 177.584 -0.071 0.000 1.181 92 A CA 1.014 53.023 52.037 -0.048 0.000 0.623 92 A CB -0.714 18.262 19.000 -0.040 0.000 0.818 92 A HN 0.305 nan 8.150 nan 0.000 0.443 93 I N -0.298 120.228 120.570 -0.074 0.000 2.286 93 I HA -0.282 3.888 4.170 -0.001 0.000 0.248 93 I C 2.942 178.967 176.117 -0.153 0.000 1.115 93 I CA 0.900 62.128 61.300 -0.120 0.000 1.392 93 I CB -0.281 37.646 38.000 -0.122 0.000 1.065 93 I HN 0.378 nan 8.210 nan 0.000 0.418 94 A N 0.469 123.225 122.820 -0.107 0.000 1.883 94 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 94 A C 2.398 179.949 177.584 -0.055 0.000 1.186 94 A CA 1.945 53.921 52.037 -0.100 0.000 0.624 94 A CB -0.983 17.979 19.000 -0.063 0.000 0.822 94 A HN 0.239 nan 8.150 nan 0.000 0.444 95 V N -0.354 119.532 119.914 -0.048 0.000 2.407 95 V HA -0.210 3.910 4.120 -0.001 0.000 0.248 95 V C 2.530 178.671 176.094 0.077 0.000 1.055 95 V CA 1.834 64.131 62.300 -0.006 0.000 1.049 95 V CB -0.809 30.987 31.823 -0.044 0.000 0.662 95 V HN 0.361 nan 8.190 nan 0.000 0.455 96 V N 0.016 119.926 119.914 -0.007 0.000 2.407 96 V HA -0.251 3.869 4.120 -0.001 0.000 0.248 96 V C 2.334 178.512 176.094 0.140 0.000 1.055 96 V CA 2.016 64.344 62.300 0.048 0.000 1.049 96 V CB -0.600 31.227 31.823 0.007 0.000 0.662 96 V HN 0.623 nan 8.190 nan 0.000 0.455 97 E N -1.467 118.686 120.200 -0.079 0.000 2.371 97 E HA -0.137 4.213 4.350 -0.001 0.000 0.194 97 E C 1.904 178.652 176.600 0.246 0.000 1.012 97 E CA 0.691 56.948 56.400 -0.239 0.000 0.860 97 E CB -0.052 29.113 29.700 -0.892 0.000 0.811 97 E HN 0.803 nan 8.360 nan 0.000 0.502 98 Y N 0.844 121.242 120.300 0.164 0.000 2.184 98 Y HA -0.209 4.341 4.550 -0.001 0.000 0.290 98 Y C 2.089 178.152 175.900 0.270 0.000 1.129 98 Y CA 1.059 59.350 58.100 0.318 0.000 1.144 98 Y CB -0.113 38.468 38.460 0.202 0.000 0.995 98 Y HN -0.204 nan 8.280 nan 0.000 0.513 99 V N 0.168 120.327 119.914 0.409 0.000 2.332 99 V HA -0.325 3.794 4.120 -0.001 0.000 0.248 99 V C 2.099 178.262 176.094 0.116 0.000 1.055 99 V CA 2.225 64.658 62.300 0.222 0.000 1.038 99 V CB -0.928 30.987 31.823 0.154 0.000 0.651 99 V HN 0.395 nan 8.190 nan 0.000 0.450 100 F N 0.136 120.212 119.950 0.210 0.000 2.206 100 F HA -0.125 4.402 4.527 -0.001 0.000 0.298 100 F C 2.809 178.770 175.800 0.267 0.000 1.090 100 F CA 1.667 59.833 58.000 0.276 0.000 1.323 100 F CB -0.627 38.664 39.000 0.485 0.000 1.028 100 F HN 0.084 nan 8.300 nan 0.000 0.492 101 S N -0.103 115.891 115.700 0.491 0.000 2.370 101 S HA -0.235 4.234 4.470 -0.001 0.000 0.226 101 S C 2.263 177.007 174.600 0.239 0.000 1.033 101 S CA 1.361 59.796 58.200 0.393 0.000 1.011 101 S CB -0.490 62.873 63.200 0.272 0.000 0.852 101 S HN 0.313 nan 8.310 nan 0.000 0.457 102 A N 1.104 123.956 122.820 0.053 0.000 1.897 102 A HA 0.185 4.504 4.320 -0.001 0.000 0.215 102 A C 2.242 179.868 177.584 0.070 0.000 1.181 102 A CA 1.073 53.107 52.037 -0.006 0.000 0.620 102 A CB -0.707 18.233 19.000 -0.101 0.000 0.821 102 A HN 0.556 nan 8.150 nan 0.000 0.443 103 L N -0.409 120.870 121.223 0.093 0.000 2.046 103 L HA -0.098 4.242 4.340 -0.001 0.000 0.208 103 L C 1.122 178.052 176.870 0.099 0.000 1.077 103 L CA 0.488 55.395 54.840 0.111 0.000 0.747 103 L CB -0.584 41.517 42.059 0.071 0.000 0.896 103 L HN 0.321 nan 8.230 nan 0.000 0.432 107 A N 0.527 123.034 122.820 -0.521 0.000 1.898 107 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 107 A C 1.948 179.120 177.584 -0.686 0.000 1.181 107 A CA 2.201 53.504 52.037 -1.223 0.000 0.620 107 A CB -0.310 18.273 19.000 -0.694 0.000 0.819 107 A HN 0.498 nan 8.150 nan 0.000 0.442 108 E N -0.382 119.619 120.200 -0.332 0.000 2.028 108 E HA -0.218 4.131 4.350 -0.001 0.000 0.191 108 E C 2.318 178.829 176.600 -0.148 0.000 0.988 108 E CA 0.969 57.255 56.400 -0.191 0.000 0.799 108 E CB -0.221 29.419 29.700 -0.099 0.000 0.755 108 E HN 0.535 nan 8.360 nan 0.000 0.447 109 R N 0.116 120.548 120.500 -0.114 0.000 2.119 109 R HA -0.175 4.164 4.340 -0.001 0.000 0.246 109 R C 0.737 177.011 176.300 -0.045 0.000 1.146 109 R CA 2.092 58.159 56.100 -0.056 0.000 0.962 109 R CB 0.007 30.296 30.300 -0.017 0.000 0.863 109 R HN 0.201 nan 8.270 nan 0.000 0.442 110 D N -1.864 118.491 120.400 -0.076 0.000 2.398 110 D HA 0.147 4.786 4.640 -0.001 0.000 0.210 110 D C 0.311 176.639 176.300 0.047 0.000 1.094 110 D CA 0.767 54.795 54.000 0.047 0.000 0.839 110 D CB 0.983 41.917 40.800 0.224 0.000 0.963 110 D HN 0.443 nan 8.370 nan 0.000 0.506 111 G N 1.833 110.574 108.800 -0.098 0.000 2.298 111 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.287 111 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.287 111 G C -0.051 174.867 174.900 0.030 0.000 1.075 111 G CA 0.470 45.537 45.100 -0.055 0.000 0.960 111 G HN 0.361 nan 8.290 nan 0.000 0.502 112 F N -0.949 119.006 119.950 0.008 0.000 2.593 112 F HA 0.895 5.422 4.527 -0.001 0.000 0.320 112 F C 0.072 175.877 175.800 0.009 0.000 1.060 112 F CA -1.633 56.371 58.000 0.007 0.000 0.940 112 F CB 1.351 40.355 39.000 0.008 0.000 1.268 112 F HN 0.380 nan 8.300 nan 0.000 0.475 113 S N 2.012 117.881 115.700 0.282 0.000 2.525 113 S HA 0.388 4.858 4.470 -0.001 0.000 0.278 113 S C 0.747 175.528 174.600 0.303 0.000 1.234 113 S CA -0.731 57.581 58.200 0.186 0.000 1.058 113 S CB 0.774 64.037 63.200 0.106 0.000 0.983 113 S HN 0.856 nan 8.310 nan 0.000 0.495 114 L N 3.843 125.207 121.223 0.235 0.000 2.131 114 L HA -0.012 4.328 4.340 -0.001 0.000 0.210 114 L C 2.635 179.594 176.870 0.148 0.000 1.092 114 L CA 1.128 56.113 54.840 0.242 0.000 0.759 114 L CB -0.298 41.881 42.059 0.199 0.000 0.903 114 L HN 0.712 nan 8.230 nan 0.000 0.435 115 R N -0.173 120.395 120.500 0.113 0.000 2.357 115 R HA -0.107 4.232 4.340 -0.001 0.000 0.202 115 R C 0.417 176.750 176.300 0.054 0.000 1.047 115 R CA 0.573 56.717 56.100 0.073 0.000 1.034 115 R CB -0.095 30.240 30.300 0.057 0.000 0.875 115 R HN 0.319 nan 8.270 nan 0.000 0.473 116 D N -0.209 120.230 120.400 0.065 0.000 2.402 116 D HA 0.061 4.701 4.640 -0.001 0.000 0.216 116 D C -0.057 176.230 176.300 -0.020 0.000 1.128 116 D CA 0.273 54.289 54.000 0.026 0.000 0.833 116 D CB 0.479 41.302 40.800 0.038 0.000 0.971 116 D HN -0.078 nan 8.370 nan 0.000 0.503 117 R N -0.035 120.454 120.500 -0.019 0.000 2.732 117 R HA 0.530 4.869 4.340 -0.001 0.000 0.278 117 R C -0.100 176.175 176.300 -0.043 0.000 0.976 117 R CA -0.445 55.610 56.100 -0.076 0.000 0.963 117 R CB 1.137 31.380 30.300 -0.095 0.000 1.150 117 R HN -0.187 nan 8.270 nan 0.000 0.478 118 T N 2.996 117.514 114.554 -0.060 0.000 2.771 118 T HA 0.524 4.874 4.350 -0.001 0.000 0.281 118 T C 0.378 175.047 174.700 -0.053 0.000 0.982 118 T CA -0.462 61.611 62.100 -0.045 0.000 0.978 118 T CB 0.806 69.648 68.868 -0.044 0.000 0.930 118 T HN 0.271 nan 8.240 nan 0.000 0.447 119 I N 2.802 123.346 120.570 -0.043 0.000 2.362 119 I HA 0.469 4.638 4.170 -0.001 0.000 0.289 119 I C 0.796 176.879 176.117 -0.057 0.000 0.994 119 I CA -0.785 60.484 61.300 -0.052 0.000 1.158 119 I CB 1.562 39.535 38.000 -0.046 0.000 1.315 119 I HN 0.666 nan 8.210 nan 0.000 0.451 120 G N 7.188 115.940 108.800 -0.079 0.000 2.335 120 G HA2 0.693 4.653 3.960 -0.001 0.000 0.316 120 G HA3 0.693 4.653 3.960 -0.001 0.000 0.316 120 G C -0.650 174.173 174.900 -0.127 0.000 1.129 120 G CA -0.430 44.613 45.100 -0.095 0.000 0.899 120 G HN 0.537 nan 8.290 nan 0.000 0.448 121 I N 2.493 123.011 120.570 -0.087 0.000 2.355 121 I HA 0.206 4.376 4.170 -0.001 0.000 0.288 121 I C -0.355 175.710 176.117 -0.087 0.000 0.999 121 I CA -0.864 60.400 61.300 -0.060 0.000 1.163 121 I CB 2.053 40.068 38.000 0.025 0.000 1.316 121 I HN 0.046 nan 8.210 nan 0.000 0.454 122 V N 5.429 125.215 119.914 -0.214 0.000 2.364 122 V HA 0.709 4.829 4.120 -0.001 0.000 0.272 122 V C 0.604 176.677 176.094 -0.035 0.000 1.036 122 V CA -0.515 61.667 62.300 -0.197 0.000 0.880 122 V CB 0.634 32.157 31.823 -0.500 0.000 0.991 122 V HN 1.057 nan 8.190 nan 0.000 0.460 123 G N 3.746 112.566 108.800 0.033 0.000 3.405 123 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.676 123 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.676 123 G C -0.754 174.203 174.900 0.096 0.000 1.039 123 G CA -0.422 44.719 45.100 0.068 0.000 0.855 123 G HN 0.985 nan 8.290 nan 0.000 0.443 124 V N 3.604 123.570 119.914 0.085 0.000 2.446 124 V HA 0.652 4.772 4.120 -0.001 0.000 0.257 124 V C 1.343 177.481 176.094 0.073 0.000 1.036 124 V CA 0.487 62.849 62.300 0.102 0.000 1.196 124 V CB 0.155 32.091 31.823 0.188 0.000 1.446 124 V HN 1.239 nan 8.190 nan 0.000 0.558 125 G N 0.729 109.556 108.800 0.045 0.000 3.182 125 G HA2 0.128 4.088 3.960 -0.001 0.000 0.167 125 G HA3 0.128 4.088 3.960 -0.001 0.000 0.167 125 G C 0.873 175.782 174.900 0.015 0.000 1.537 125 G CA -0.076 45.042 45.100 0.030 0.000 1.046 125 G HN 0.341 nan 8.290 nan 0.000 0.580 126 N N -0.470 118.234 118.700 0.008 0.000 2.120 126 N HA -0.123 4.617 4.740 -0.001 0.000 0.188 126 N C 2.367 177.854 175.510 -0.038 0.000 1.024 126 N CA 1.286 54.333 53.050 -0.005 0.000 0.852 126 N CB -0.258 38.231 38.487 0.003 0.000 1.003 126 N HN 0.144 nan 8.380 nan 0.000 0.424 127 V N 0.672 120.543 119.914 -0.071 0.000 2.283 127 V HA -0.061 4.059 4.120 -0.001 0.000 0.243 127 V C 2.516 178.469 176.094 -0.235 0.000 1.039 127 V CA 1.952 64.144 62.300 -0.180 0.000 1.016 127 V CB -1.211 30.444 31.823 -0.279 0.000 0.650 127 V HN 0.291 nan 8.190 nan 0.000 0.449 128 G N 0.371 109.059 108.800 -0.186 0.000 2.422 128 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.218 128 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.218 128 G C 1.876 176.757 174.900 -0.031 0.000 1.146 128 G CA 1.481 46.518 45.100 -0.105 0.000 0.769 128 G HN 0.633 nan 8.290 nan 0.000 0.547 129 S N 0.240 115.936 115.700 -0.006 0.000 2.406 129 S HA 0.028 4.497 4.470 -0.001 0.000 0.228 129 S C 2.222 176.829 174.600 0.012 0.000 1.020 129 S CA 0.731 58.942 58.200 0.019 0.000 0.965 129 S CB -0.247 62.975 63.200 0.037 0.000 0.798 129 S HN 0.404 nan 8.310 nan 0.000 0.488 130 R N 0.195 120.691 120.500 -0.008 0.000 2.115 130 R HA 0.120 4.460 4.340 -0.001 0.000 0.230 130 R C 2.279 178.602 176.300 0.039 0.000 1.111 130 R CA 1.140 57.244 56.100 0.006 0.000 0.976 130 R CB -0.536 29.754 30.300 -0.016 0.000 0.870 130 R HN 0.417 nan 8.270 nan 0.000 0.445 131 L N 1.268 122.497 121.223 0.011 0.000 2.056 131 L HA -0.178 4.161 4.340 -0.001 0.000 0.207 131 L C 2.455 179.383 176.870 0.096 0.000 1.078 131 L CA 1.731 56.608 54.840 0.062 0.000 0.749 131 L CB -0.522 41.509 42.059 -0.046 0.000 0.901 131 L HN 0.146 nan 8.230 nan 0.000 0.433 132 Q N -1.033 118.797 119.800 0.050 0.000 2.030 132 Q HA -0.252 4.088 4.340 -0.001 0.000 0.204 132 Q C 1.985 178.027 176.000 0.071 0.000 0.986 132 Q CA 2.731 58.564 55.803 0.049 0.000 0.843 132 Q CB -0.328 28.425 28.738 0.024 0.000 0.904 132 Q HN 0.541 nan 8.270 nan 0.000 0.420 133 T N 0.660 115.255 114.554 0.067 0.000 2.685 133 T HA -0.196 4.154 4.350 -0.001 0.000 0.268 133 T C 1.791 176.555 174.700 0.105 0.000 1.034 133 T CA 1.832 63.974 62.100 0.069 0.000 1.149 133 T CB -0.161 68.741 68.868 0.056 0.000 0.860 133 T HN 0.349 nan 8.240 nan 0.000 0.449 134 R N 0.041 120.640 120.500 0.164 0.000 2.093 134 R HA 0.165 4.505 4.340 -0.001 0.000 0.224 134 R C 2.494 178.968 176.300 0.291 0.000 1.101 134 R CA 0.738 56.971 56.100 0.220 0.000 0.979 134 R CB -0.306 30.163 30.300 0.281 0.000 0.877 134 R HN 0.360 nan 8.270 nan 0.000 0.441 135 L N 0.551 121.958 121.223 0.305 0.000 2.056 135 L HA -0.146 4.194 4.340 -0.001 0.000 0.207 135 L C 2.077 179.033 176.870 0.142 0.000 1.078 135 L CA 1.418 56.404 54.840 0.243 0.000 0.749 135 L CB -0.413 41.730 42.059 0.141 0.000 0.901 135 L HN 0.188 nan 8.230 nan 0.000 0.433 136 E N 0.396 120.656 120.200 0.100 0.000 2.118 136 E HA -0.233 4.117 4.350 -0.001 0.000 0.195 136 E C 2.292 178.930 176.600 0.063 0.000 0.992 136 E CA 1.174 57.611 56.400 0.062 0.000 0.804 136 E CB -0.194 29.529 29.700 0.040 0.000 0.741 136 E HN 0.508 nan 8.360 nan 0.000 0.458 137 A N 0.876 123.743 122.820 0.078 0.000 1.972 137 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 137 A C 2.045 179.665 177.584 0.062 0.000 1.169 137 A CA 0.892 52.966 52.037 0.062 0.000 0.635 137 A CB -0.383 18.655 19.000 0.063 0.000 0.810 137 A HN 0.163 nan 8.150 nan 0.000 0.446 138 L N -0.889 120.391 121.223 0.094 0.000 2.610 138 L HA 0.116 4.456 4.340 -0.001 0.000 0.232 138 L C 1.611 178.522 176.870 0.068 0.000 1.149 138 L CA 0.481 55.375 54.840 0.089 0.000 0.872 138 L CB -0.316 41.835 42.059 0.152 0.000 0.992 138 L HN 0.586 nan 8.230 nan 0.000 0.447 139 G N 1.129 109.964 108.800 0.058 0.000 2.198 139 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.260 139 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.260 139 G C 0.126 175.054 174.900 0.046 0.000 1.025 139 G CA -0.008 45.117 45.100 0.041 0.000 0.769 139 G HN 0.330 nan 8.290 nan 0.000 0.507 140 I N 0.137 120.745 120.570 0.063 0.000 2.342 140 I HA 0.289 4.459 4.170 -0.001 0.000 0.291 140 I C 1.108 177.245 176.117 0.034 0.000 1.010 140 I CA -0.928 60.407 61.300 0.058 0.000 1.308 140 I CB 1.159 39.210 38.000 0.084 0.000 1.400 140 I HN 0.226 nan 8.210 nan 0.000 0.488 141 R N 5.075 125.586 120.500 0.018 0.000 2.449 141 R HA 0.220 4.560 4.340 -0.001 0.000 0.296 141 R C -0.541 175.755 176.300 -0.006 0.000 1.047 141 R CA 0.143 56.244 56.100 0.002 0.000 1.018 141 R CB 0.468 30.765 30.300 -0.004 0.000 0.962 141 R HN 0.775 nan 8.270 nan 0.000 0.428 142 T N 2.752 117.299 114.554 -0.012 0.000 2.916 142 T HA 0.487 4.836 4.350 -0.001 0.000 0.298 142 T C -0.583 174.098 174.700 -0.031 0.000 1.031 142 T CA -0.968 61.121 62.100 -0.019 0.000 0.993 142 T CB 1.151 70.014 68.868 -0.007 0.000 1.045 142 T HN 0.418 nan 8.240 nan 0.000 0.454 143 L N 2.857 124.058 121.223 -0.036 0.000 2.342 143 L HA 0.701 5.041 4.340 -0.001 0.000 0.271 143 L C -0.688 176.162 176.870 -0.033 0.000 1.008 143 L CA -1.219 53.598 54.840 -0.039 0.000 0.818 143 L CB 1.931 43.970 42.059 -0.034 0.000 1.296 143 L HN 0.546 nan 8.230 nan 0.000 0.427 144 L N 2.168 123.374 121.223 -0.028 0.000 2.346 144 L HA 0.597 4.937 4.340 -0.001 0.000 0.276 144 L C -0.754 176.180 176.870 0.106 0.000 1.006 144 L CA -0.500 54.353 54.840 0.022 0.000 0.817 144 L CB 2.040 44.077 42.059 -0.036 0.000 1.272 144 L HN 0.606 nan 8.230 nan 0.000 0.421 145 C N 2.584 121.957 119.300 0.121 0.000 2.381 145 C HA 0.632 5.091 4.460 -0.001 0.000 0.328 145 C C -1.095 173.970 174.990 0.124 0.000 1.190 145 C CA -0.190 58.904 59.018 0.126 0.000 1.369 145 C CB 0.583 28.347 27.740 0.039 0.000 2.029 145 C HN 0.912 nan 8.230 nan 0.000 0.448 146 D N 6.428 126.886 120.400 0.097 0.000 2.634 146 D HA 0.242 4.882 4.640 -0.001 0.000 0.236 146 D C -2.185 173.936 176.300 -0.298 0.000 1.323 146 D CA -0.674 53.264 54.000 -0.103 0.000 0.884 146 D CB 1.673 42.398 40.800 -0.125 0.000 1.496 146 D HN 0.246 nan 8.370 nan 0.000 0.525 147 P HA 0.016 nan 4.420 nan 0.000 0.217 147 P C -1.644 175.425 177.300 -0.386 0.000 1.150 147 P CA 0.729 63.717 63.100 -0.187 0.000 0.832 147 P CB -0.146 31.580 31.700 0.043 0.000 0.787 148 P HA -0.080 nan 4.420 nan 0.000 0.216 148 P C 1.549 178.618 177.300 -0.384 0.000 1.153 148 P CA 1.472 64.195 63.100 -0.629 0.000 0.848 148 P CB -0.239 31.073 31.700 -0.647 0.000 0.787 149 R N -0.507 119.718 120.500 -0.459 0.000 2.075 149 R HA -0.035 4.305 4.340 -0.001 0.000 0.232 149 R C 2.281 178.245 176.300 -0.560 0.000 1.126 149 R CA 1.471 57.273 56.100 -0.497 0.000 0.963 149 R CB -1.020 28.899 30.300 -0.635 0.000 0.858 149 R HN 0.128 nan 8.270 nan 0.000 0.435 150 A N 1.367 123.743 122.820 -0.740 0.000 1.851 150 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 150 A C 2.387 179.892 177.584 -0.132 0.000 1.195 150 A CA 1.911 53.719 52.037 -0.382 0.000 0.622 150 A CB -0.870 18.007 19.000 -0.204 0.000 0.831 150 A HN 0.411 nan 8.150 nan 0.000 0.444 151 A N -0.609 122.145 122.820 -0.110 0.000 1.978 151 A HA -0.205 4.114 4.320 -0.001 0.000 0.220 151 A C 2.214 179.781 177.584 -0.029 0.000 1.170 151 A CA 1.887 53.910 52.037 -0.024 0.000 0.636 151 A CB -0.488 18.536 19.000 0.040 0.000 0.810 151 A HN 0.565 nan 8.150 nan 0.000 0.448 152 R N -1.085 119.371 120.500 -0.073 0.000 2.237 152 R HA 0.058 4.397 4.340 -0.001 0.000 0.219 152 R C 1.258 177.546 176.300 -0.020 0.000 1.080 152 R CA 1.015 57.086 56.100 -0.048 0.000 0.995 152 R CB -0.276 29.979 30.300 -0.075 0.000 0.875 152 R HN 0.782 nan 8.270 nan 0.000 0.462 153 G N 0.575 109.368 108.800 -0.012 0.000 2.141 153 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.231 153 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.231 153 G C -0.724 174.210 174.900 0.057 0.000 0.984 153 G CA 0.064 45.180 45.100 0.027 0.000 0.660 153 G HN 0.399 nan 8.290 nan 0.000 0.525 154 D N 0.993 121.427 120.400 0.057 0.000 2.443 154 D HA 0.376 5.016 4.640 -0.001 0.000 0.239 154 D C 0.908 177.358 176.300 0.250 0.000 1.136 154 D CA 0.312 54.392 54.000 0.134 0.000 0.879 154 D CB 0.593 41.466 40.800 0.121 0.000 1.195 154 D HN 0.499 nan 8.370 nan 0.000 0.443 155 E N -0.012 120.294 120.200 0.177 0.000 2.404 155 E HA 0.441 4.790 4.350 -0.001 0.000 0.261 155 E C 0.348 177.015 176.600 0.111 0.000 1.074 155 E CA 0.088 56.565 56.400 0.128 0.000 0.917 155 E CB 0.629 30.364 29.700 0.058 0.000 0.965 155 E HN 0.578 nan 8.360 nan 0.000 0.433 156 G N 2.163 110.915 108.800 -0.079 0.000 2.335 156 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.592 156 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.592 156 G C -1.369 173.181 174.900 -0.584 0.000 1.442 156 G CA -0.870 43.959 45.100 -0.452 0.000 0.976 156 G HN 0.530 nan 8.290 nan 0.000 0.652 157 D N 0.656 120.697 120.400 -0.597 0.000 2.563 157 D HA 0.430 5.070 4.640 -0.001 0.000 0.222 157 D C -0.238 175.835 176.300 -0.378 0.000 1.145 157 D CA -0.120 53.675 54.000 -0.341 0.000 1.001 157 D CB -0.165 40.510 40.800 -0.209 0.000 1.049 157 D HN 0.163 nan 8.370 nan 0.000 0.515 158 F N 2.906 122.856 119.950 -0.000 0.000 2.420 158 F HA 0.323 4.850 4.527 -0.001 0.000 0.352 158 F C 1.343 177.143 175.800 0.001 0.000 1.108 158 F CA -0.471 57.527 58.000 -0.002 0.000 1.162 158 F CB 0.731 39.730 39.000 -0.002 0.000 1.118 158 F HN -0.095 nan 8.300 nan 0.000 0.510 159 R N 0.567 121.157 120.500 0.150 0.000 2.828 159 R HA 0.510 4.850 4.340 -0.001 0.000 0.264 159 R C -0.166 176.186 176.300 0.087 0.000 1.022 159 R CA -0.830 55.322 56.100 0.086 0.000 1.021 159 R CB 0.851 31.174 30.300 0.038 0.000 1.163 159 R HN 0.656 nan 8.270 nan 0.000 0.494 160 T N -1.420 113.172 114.554 0.064 0.000 2.868 160 T HA 0.080 4.430 4.350 -0.001 0.000 0.292 160 T C 1.366 176.094 174.700 0.047 0.000 1.028 160 T CA -0.729 61.407 62.100 0.060 0.000 1.059 160 T CB 0.705 69.603 68.868 0.050 0.000 0.991 160 T HN 0.420 nan 8.240 nan 0.000 0.531 161 L N 0.798 122.053 121.223 0.053 0.000 2.012 161 L HA -0.039 4.300 4.340 -0.001 0.000 0.210 161 L C 2.244 179.134 176.870 0.034 0.000 1.073 161 L CA 1.994 56.860 54.840 0.044 0.000 0.748 161 L CB -1.223 40.881 42.059 0.075 0.000 0.891 161 L HN 0.903 nan 8.230 nan 0.000 0.431 162 D N -0.254 120.169 120.400 0.038 0.000 2.133 162 D HA -0.255 4.385 4.640 -0.001 0.000 0.192 162 D C 2.009 178.319 176.300 0.017 0.000 1.001 162 D CA 1.767 55.785 54.000 0.029 0.000 0.844 162 D CB -0.015 40.802 40.800 0.028 0.000 0.944 162 D HN 0.569 nan 8.370 nan 0.000 0.447 163 E N -0.573 119.637 120.200 0.016 0.000 2.070 163 E HA -0.213 4.137 4.350 -0.001 0.000 0.197 163 E C 2.297 178.895 176.600 -0.003 0.000 1.004 163 E CA 0.718 57.122 56.400 0.007 0.000 0.805 163 E CB -0.120 29.585 29.700 0.010 0.000 0.744 163 E HN 0.227 nan 8.360 nan 0.000 0.451 164 L N 0.271 121.489 121.223 -0.008 0.000 2.017 164 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 164 L C 2.375 179.228 176.870 -0.027 0.000 1.073 164 L CA 1.192 56.015 54.840 -0.029 0.000 0.745 164 L CB -0.579 41.448 42.059 -0.053 0.000 0.894 164 L HN 0.020 nan 8.230 nan 0.000 0.432 165 V N -1.030 118.878 119.914 -0.010 0.000 2.392 165 V HA -0.337 3.783 4.120 -0.001 0.000 0.249 165 V C 2.472 178.563 176.094 -0.005 0.000 1.059 165 V CA 1.618 63.918 62.300 0.001 0.000 1.051 165 V CB -0.540 31.297 31.823 0.023 0.000 0.658 165 V HN 0.532 nan 8.190 nan 0.000 0.455 166 Q N -0.789 119.009 119.800 -0.005 0.000 2.083 166 Q HA -0.152 4.188 4.340 -0.001 0.000 0.198 166 Q C 2.231 178.222 176.000 -0.015 0.000 0.969 166 Q CA 1.434 57.233 55.803 -0.007 0.000 0.838 166 Q CB -0.005 28.730 28.738 -0.003 0.000 0.900 166 Q HN 0.634 nan 8.270 nan 0.000 0.436 167 E N -0.625 119.564 120.200 -0.020 0.000 2.415 167 E HA 0.158 4.508 4.350 -0.001 0.000 0.197 167 E C -0.431 176.147 176.600 -0.036 0.000 1.007 167 E CA -0.178 56.206 56.400 -0.026 0.000 0.890 167 E CB 0.729 30.415 29.700 -0.023 0.000 0.891 167 E HN 0.137 nan 8.360 nan 0.000 0.496 168 A N 1.112 123.907 122.820 -0.042 0.000 2.309 168 A HA 0.167 4.486 4.320 -0.001 0.000 0.298 168 A C 0.265 177.812 177.584 -0.063 0.000 1.165 168 A CA -0.447 51.557 52.037 -0.055 0.000 0.821 168 A CB 0.634 19.596 19.000 -0.064 0.000 1.102 168 A HN -0.014 nan 8.150 nan 0.000 0.500 169 D N 0.704 121.056 120.400 -0.081 0.000 2.327 169 D HA 0.105 4.744 4.640 -0.001 0.000 0.205 169 D C -0.148 176.090 176.300 -0.104 0.000 0.989 169 D CA 1.195 55.129 54.000 -0.110 0.000 0.873 169 D CB 0.617 41.320 40.800 -0.162 0.000 0.955 169 D HN 0.258 nan 8.370 nan 0.000 0.515 170 V N 1.943 121.806 119.914 -0.084 0.000 2.531 170 V HA 0.319 4.438 4.120 -0.001 0.000 0.301 170 V C -0.780 175.270 176.094 -0.073 0.000 1.034 170 V CA -0.848 61.414 62.300 -0.064 0.000 0.865 170 V CB 2.616 34.407 31.823 -0.052 0.000 0.995 170 V HN -0.097 nan 8.190 nan 0.000 0.424 171 L N 4.322 125.503 121.223 -0.070 0.000 2.343 171 L HA 0.763 5.102 4.340 -0.001 0.000 0.278 171 L C -0.138 176.627 176.870 -0.175 0.000 0.996 171 L CA 0.346 55.099 54.840 -0.144 0.000 0.831 171 L CB 1.850 43.842 42.059 -0.112 0.000 1.232 171 L HN 0.776 nan 8.230 nan 0.000 0.413 172 T N 4.860 119.253 114.554 -0.268 0.000 2.824 172 T HA 0.591 4.941 4.350 -0.001 0.000 0.282 172 T C -0.886 173.519 174.700 -0.491 0.000 0.993 172 T CA -0.231 61.727 62.100 -0.237 0.000 0.967 172 T CB 0.232 69.062 68.868 -0.063 0.000 0.960 172 T HN 0.235 nan 8.240 nan 0.000 0.441 173 F N 4.472 124.174 119.950 -0.412 0.000 2.410 173 F HA 0.428 4.954 4.527 -0.001 0.000 0.349 173 F C 1.134 176.500 175.800 -0.723 0.000 1.117 173 F CA -0.595 57.165 58.000 -0.401 0.000 1.104 173 F CB 0.980 39.838 39.000 -0.237 0.000 1.122 173 F HN 0.587 nan 8.300 nan 0.000 0.483 174 H N 1.512 120.631 119.070 0.083 0.000 2.716 174 H HA 0.189 4.744 4.556 -0.001 0.000 0.230 174 H C -0.206 175.136 175.328 0.022 0.000 1.401 174 H CA -0.275 55.794 56.048 0.034 0.000 1.168 174 H CB 0.515 30.281 29.762 0.006 0.000 1.935 174 H HN 0.568 nan 8.280 nan 0.000 0.538 175 T N -1.319 113.285 114.554 0.084 0.000 2.950 175 T HA 0.568 4.918 4.350 -0.001 0.000 0.288 175 T C -2.542 172.115 174.700 -0.071 0.000 1.035 175 T CA -2.121 59.993 62.100 0.024 0.000 1.028 175 T CB 2.720 71.619 68.868 0.051 0.000 1.109 175 T HN -0.057 nan 8.240 nan 0.000 0.514 176 P HA 0.374 nan 4.420 nan 0.000 0.277 176 P C -0.964 176.086 177.300 -0.418 0.000 1.276 176 P CA -0.887 62.013 63.100 -0.334 0.000 0.788 176 P CB 0.258 31.623 31.700 -0.558 0.000 1.114 177 L N 1.109 122.101 121.223 -0.386 0.000 2.259 177 L HA 0.368 4.707 4.340 -0.001 0.000 0.288 177 L C -1.396 175.282 176.870 -0.320 0.000 1.051 177 L CA -0.427 54.241 54.840 -0.286 0.000 0.824 177 L CB -0.901 41.071 42.059 -0.145 0.000 1.206 177 L HN 0.114 nan 8.230 nan 0.000 0.429 178 Y N 4.229 124.537 120.300 0.012 0.000 2.341 178 Y HA 0.437 4.986 4.550 -0.001 0.000 0.337 178 Y C 1.018 176.912 175.900 -0.009 0.000 1.014 178 Y CA -0.947 57.162 58.100 0.015 0.000 1.111 178 Y CB 1.585 40.075 38.460 0.050 0.000 1.194 178 Y HN 0.515 nan 8.280 nan 0.000 0.462 179 K N 1.083 121.571 120.400 0.147 0.000 2.356 179 K HA 0.064 4.384 4.320 -0.001 0.000 0.195 179 K C -0.573 176.049 176.600 0.037 0.000 1.037 179 K CA 0.699 57.014 56.287 0.046 0.000 1.014 179 K CB 0.253 32.760 32.500 0.012 0.000 0.815 179 K HN 0.815 nan 8.250 nan 0.000 0.507 180 D N -1.498 118.935 120.400 0.054 0.000 2.921 180 D HA 0.459 5.099 4.640 -0.001 0.000 0.329 180 D C 0.355 176.641 176.300 -0.022 0.000 1.293 180 D CA -0.115 53.890 54.000 0.009 0.000 0.964 180 D CB 0.321 41.114 40.800 -0.013 0.000 1.435 180 D HN 0.021 nan 8.370 nan 0.000 0.548 181 G N -0.486 108.275 108.800 -0.065 0.000 2.681 181 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.220 181 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.220 181 G C -1.818 172.983 174.900 -0.166 0.000 1.353 181 G CA -0.136 44.885 45.100 -0.133 0.000 0.872 181 G HN 0.693 nan 8.290 nan 0.000 0.557 182 P HA 0.100 nan 4.420 nan 0.000 0.231 182 P C 0.406 177.474 177.300 -0.387 0.000 1.168 182 P CA 1.337 64.185 63.100 -0.419 0.000 0.779 182 P CB 0.057 31.354 31.700 -0.670 0.000 0.844 183 Y N 0.150 120.446 120.300 -0.006 0.000 2.720 183 Y HA 0.319 4.868 4.550 -0.001 0.000 0.277 183 Y C 1.022 177.016 175.900 0.156 0.000 1.144 183 Y CA -1.711 56.428 58.100 0.065 0.000 1.221 183 Y CB -0.692 37.805 38.460 0.061 0.000 1.163 183 Y HN -0.142 nan 8.280 nan 0.000 0.537 184 K N 1.530 122.033 120.400 0.171 0.000 2.504 184 K HA -0.053 4.267 4.320 -0.001 0.000 0.278 184 K C 0.983 177.683 176.600 0.167 0.000 1.025 184 K CA 1.229 57.616 56.287 0.165 0.000 1.093 184 K CB 0.526 33.069 32.500 0.072 0.000 0.873 184 K HN 0.417 nan 8.250 nan 0.000 0.483 185 T N 1.813 116.455 114.554 0.147 0.000 3.003 185 T HA 0.064 4.413 4.350 -0.001 0.000 0.261 185 T C 0.406 175.101 174.700 -0.009 0.000 1.003 185 T CA -0.542 61.600 62.100 0.070 0.000 0.917 185 T CB 0.103 68.992 68.868 0.034 0.000 1.084 185 T HN 0.437 nan 8.240 nan 0.000 0.522 186 L N 3.992 125.198 121.223 -0.028 0.000 2.584 186 L HA 0.175 4.515 4.340 -0.001 0.000 0.272 186 L C 0.482 177.312 176.870 -0.066 0.000 1.195 186 L CA 0.776 55.539 54.840 -0.128 0.000 0.920 186 L CB -1.256 40.697 42.059 -0.176 0.000 1.173 186 L HN 0.610 nan 8.230 nan 0.000 0.489 187 H N 2.364 121.382 119.070 -0.085 0.000 2.776 187 H HA -0.261 4.295 4.556 -0.001 0.000 0.300 187 H C 1.262 176.538 175.328 -0.086 0.000 1.161 187 H CA 0.308 56.299 56.048 -0.095 0.000 1.147 187 H CB -0.775 28.951 29.762 -0.060 0.000 1.366 187 H HN 0.630 nan 8.280 nan 0.000 0.397 188 L N 0.743 121.973 121.223 0.012 0.000 1.997 188 L HA -0.093 4.247 4.340 -0.001 0.000 0.216 188 L C 1.782 178.636 176.870 -0.026 0.000 1.074 188 L CA 2.403 57.252 54.840 0.014 0.000 0.763 188 L CB -0.515 41.562 42.059 0.031 0.000 0.890 188 L HN 0.432 nan 8.230 nan 0.000 0.434 189 A N 0.424 123.124 122.820 -0.200 0.000 2.915 189 A HA 0.316 4.636 4.320 -0.001 0.000 0.292 189 A C -0.308 177.200 177.584 -0.126 0.000 1.632 189 A CA -0.267 51.666 52.037 -0.174 0.000 1.337 189 A CB -1.225 17.551 19.000 -0.373 0.000 1.111 189 A HN 0.563 nan 8.150 nan 0.000 0.569 190 D N 0.020 120.379 120.400 -0.067 0.000 2.564 190 D HA 0.111 4.750 4.640 -0.001 0.000 0.273 190 D C 0.972 177.226 176.300 -0.076 0.000 1.192 190 D CA -0.555 53.386 54.000 -0.099 0.000 1.080 190 D CB 0.137 40.905 40.800 -0.054 0.000 1.160 190 D HN 0.346 nan 8.370 nan 0.000 0.607 191 E N -0.830 119.323 120.200 -0.079 0.000 2.070 191 E HA -0.209 4.141 4.350 -0.001 0.000 0.197 191 E C 1.581 178.165 176.600 -0.027 0.000 1.004 191 E CA 1.822 58.190 56.400 -0.053 0.000 0.805 191 E CB -0.115 29.556 29.700 -0.050 0.000 0.744 191 E HN 0.525 nan 8.360 nan 0.000 0.451 192 T N 1.560 116.104 114.554 -0.017 0.000 2.746 192 T HA -0.169 4.181 4.350 -0.001 0.000 0.267 192 T C 1.874 176.577 174.700 0.005 0.000 1.039 192 T CA 1.280 63.379 62.100 -0.003 0.000 1.142 192 T CB -0.224 68.646 68.868 0.004 0.000 0.866 192 T HN 0.214 nan 8.240 nan 0.000 0.444 193 L N 0.225 121.455 121.223 0.010 0.000 2.044 193 L HA 0.071 4.411 4.340 -0.001 0.000 0.205 193 L C 2.260 179.145 176.870 0.025 0.000 1.075 193 L CA 1.219 56.077 54.840 0.029 0.000 0.747 193 L CB -0.278 41.813 42.059 0.054 0.000 0.903 193 L HN 0.205 nan 8.230 nan 0.000 0.435 194 I N -0.105 120.469 120.570 0.007 0.000 2.208 194 I HA -0.330 3.839 4.170 -0.001 0.000 0.245 194 I C 2.599 178.718 176.117 0.003 0.000 1.097 194 I CA 1.354 62.656 61.300 0.003 0.000 1.363 194 I CB -0.327 37.661 38.000 -0.020 0.000 1.051 194 I HN 0.212 nan 8.210 nan 0.000 0.413 195 R N 0.347 120.846 120.500 -0.002 0.000 2.249 195 R HA -0.117 4.223 4.340 -0.001 0.000 0.230 195 R C 1.931 178.232 176.300 0.002 0.000 1.121 195 R CA 0.973 57.072 56.100 -0.002 0.000 0.997 195 R CB -0.127 30.171 30.300 -0.004 0.000 0.867 195 R HN 0.397 nan 8.270 nan 0.000 0.465 196 R N -0.266 120.238 120.500 0.007 0.000 2.334 196 R HA 0.171 4.511 4.340 -0.001 0.000 0.216 196 R C 0.152 176.455 176.300 0.005 0.000 0.905 196 R CA -0.150 55.954 56.100 0.007 0.000 1.064 196 R CB 0.314 30.621 30.300 0.011 0.000 1.046 196 R HN 0.079 nan 8.270 nan 0.000 0.508 197 L N 2.009 123.236 121.223 0.007 0.000 2.461 197 L HA 0.052 4.391 4.340 -0.001 0.000 0.272 197 L C 0.462 177.328 176.870 -0.007 0.000 1.197 197 L CA 0.124 54.966 54.840 0.003 0.000 0.836 197 L CB 0.413 42.478 42.059 0.010 0.000 1.105 197 L HN -0.066 nan 8.230 nan 0.000 0.477 198 K N 3.187 123.577 120.400 -0.017 0.000 2.436 198 K HA 0.092 4.411 4.320 -0.001 0.000 0.275 198 K C -2.207 174.378 176.600 -0.025 0.000 0.999 198 K CA -1.425 54.847 56.287 -0.024 0.000 0.980 198 K CB -0.002 32.474 32.500 -0.039 0.000 0.919 198 K HN 0.270 nan 8.250 nan 0.000 0.484 199 P HA -0.111 nan 4.420 nan 0.000 0.261 199 P C 0.452 177.734 177.300 -0.031 0.000 1.173 199 P CA 1.017 64.105 63.100 -0.019 0.000 0.760 199 P CB 0.406 32.096 31.700 -0.016 0.000 0.783 200 G N 1.835 110.621 108.800 -0.023 0.000 2.148 200 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.254 200 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.254 200 G C 0.488 175.351 174.900 -0.060 0.000 0.981 200 G CA -0.009 45.071 45.100 -0.033 0.000 0.670 200 G HN 0.845 nan 8.290 nan 0.000 0.528 201 A N -0.543 122.247 122.820 -0.049 0.000 2.366 201 A HA 0.698 5.017 4.320 -0.001 0.000 0.249 201 A C 0.490 178.056 177.584 -0.029 0.000 1.084 201 A CA 0.181 52.185 52.037 -0.056 0.000 0.794 201 A CB 0.383 19.361 19.000 -0.037 0.000 1.034 201 A HN 0.850 nan 8.150 nan 0.000 0.491 202 I N 1.353 121.907 120.570 -0.028 0.000 2.355 202 I HA 0.253 4.422 4.170 -0.001 0.000 0.288 202 I C -0.678 175.447 176.117 0.014 0.000 0.999 202 I CA -0.508 60.797 61.300 0.007 0.000 1.163 202 I CB 1.437 39.455 38.000 0.029 0.000 1.316 202 I HN 0.517 nan 8.210 nan 0.000 0.454 203 L N 8.767 130.008 121.223 0.029 0.000 2.264 203 L HA 0.565 4.905 4.340 -0.001 0.000 0.289 203 L C -0.689 176.211 176.870 0.050 0.000 1.044 203 L CA 0.105 54.978 54.840 0.055 0.000 0.807 203 L CB 0.632 42.722 42.059 0.052 0.000 1.192 203 L HN 0.405 nan 8.230 nan 0.000 0.425 204 I N 4.963 125.576 120.570 0.072 0.000 2.389 204 I HA 0.356 4.526 4.170 -0.001 0.000 0.288 204 I C -0.629 175.518 176.117 0.049 0.000 0.999 204 I CA -0.595 60.736 61.300 0.051 0.000 1.129 204 I CB 1.661 39.692 38.000 0.051 0.000 1.288 204 I HN 0.582 nan 8.210 nan 0.000 0.444 205 N N 5.493 124.174 118.700 -0.033 0.000 2.569 205 N HA 0.516 5.256 4.740 -0.001 0.000 0.254 205 N C -0.432 174.982 175.510 -0.161 0.000 1.004 205 N CA -0.316 52.668 53.050 -0.110 0.000 0.904 205 N CB 1.695 40.053 38.487 -0.216 0.000 1.165 205 N HN 0.692 nan 8.380 nan 0.000 0.513 206 A N 2.363 125.098 122.820 -0.141 0.000 2.701 206 A HA 0.236 4.556 4.320 -0.001 0.000 0.297 206 A C 1.334 178.832 177.584 -0.143 0.000 1.197 206 A CA -0.301 51.625 52.037 -0.185 0.000 0.963 206 A CB -0.914 17.966 19.000 -0.200 0.000 1.175 206 A HN 0.797 nan 8.150 nan 0.000 0.531 207 C N -1.179 118.035 119.300 -0.142 0.000 3.370 207 C HA 0.607 5.066 4.460 -0.001 0.000 0.266 207 C C 0.517 175.422 174.990 -0.141 0.000 1.700 207 C CA -0.227 58.738 59.018 -0.088 0.000 1.602 207 C CB -0.234 27.485 27.740 -0.036 0.000 1.778 207 C HN 0.357 nan 8.230 nan 0.000 0.728 208 R N 1.069 121.477 120.500 -0.153 0.000 2.628 208 R HA 0.416 4.755 4.340 -0.001 0.000 0.288 208 R C 1.110 177.305 176.300 -0.175 0.000 0.980 208 R CA 0.124 56.131 56.100 -0.155 0.000 0.891 208 R CB 0.967 31.198 30.300 -0.114 0.000 1.188 208 R HN 0.653 nan 8.270 nan 0.000 0.450 209 G N 3.184 111.890 108.800 -0.158 0.000 2.719 209 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.219 209 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.219 209 G C -1.153 173.684 174.900 -0.104 0.000 1.234 209 G CA 0.938 45.964 45.100 -0.123 0.000 0.788 209 G HN 0.417 nan 8.290 nan 0.000 0.619 210 P HA 0.130 nan 4.420 nan 0.000 0.242 210 P C 1.626 178.887 177.300 -0.065 0.000 1.197 210 P CA -0.017 63.049 63.100 -0.058 0.000 0.765 210 P CB 0.166 31.797 31.700 -0.114 0.000 0.936 211 V N -1.134 118.700 119.914 -0.134 0.000 2.594 211 V HA -0.110 4.010 4.120 -0.001 0.000 0.253 211 V C 1.221 177.157 176.094 -0.263 0.000 1.069 211 V CA 1.279 63.457 62.300 -0.203 0.000 1.082 211 V CB -0.354 31.305 31.823 -0.274 0.000 0.680 211 V HN -0.044 nan 8.190 nan 0.000 0.469 212 V N 0.956 120.733 119.914 -0.229 0.000 2.398 212 V HA 0.275 4.395 4.120 -0.001 0.000 0.286 212 V C -0.104 175.929 176.094 -0.100 0.000 1.026 212 V CA -0.811 61.349 62.300 -0.233 0.000 0.868 212 V CB 1.582 33.236 31.823 -0.281 0.000 0.982 212 V HN 0.292 nan 8.190 nan 0.000 0.443 213 D N 4.297 124.567 120.400 -0.217 0.000 2.357 213 D HA 0.014 4.653 4.640 -0.001 0.000 0.265 213 D C 1.158 177.321 176.300 -0.228 0.000 1.334 213 D CA 0.614 54.320 54.000 -0.490 0.000 0.984 213 D CB 0.229 40.578 40.800 -0.750 0.000 1.077 213 D HN 0.587 nan 8.370 nan 0.000 0.514 214 N N 2.508 121.142 118.700 -0.110 0.000 2.084 214 N HA -0.194 4.545 4.740 -0.001 0.000 0.190 214 N C 1.518 177.006 175.510 -0.036 0.000 1.030 214 N CA 1.209 54.234 53.050 -0.042 0.000 0.849 214 N CB 0.135 38.646 38.487 0.040 0.000 1.012 214 N HN 0.481 nan 8.380 nan 0.000 0.423 215 A N 1.168 123.959 122.820 -0.048 0.000 1.930 215 A HA 0.028 4.348 4.320 -0.001 0.000 0.217 215 A C 2.296 179.848 177.584 -0.053 0.000 1.175 215 A CA 1.567 53.584 52.037 -0.034 0.000 0.627 215 A CB -0.537 18.446 19.000 -0.029 0.000 0.815 215 A HN 0.363 nan 8.150 nan 0.000 0.443 216 A N -0.656 122.105 122.820 -0.098 0.000 1.969 216 A HA 0.050 4.369 4.320 -0.001 0.000 0.218 216 A C 2.060 179.604 177.584 -0.067 0.000 1.169 216 A CA 1.566 53.548 52.037 -0.092 0.000 0.635 216 A CB -0.466 18.453 19.000 -0.136 0.000 0.810 216 A HN 0.624 nan 8.150 nan 0.000 0.445 217 L N -0.778 120.403 121.223 -0.071 0.000 2.093 217 L HA -0.042 4.297 4.340 -0.001 0.000 0.208 217 L C 2.150 179.009 176.870 -0.018 0.000 1.085 217 L CA 1.763 56.574 54.840 -0.048 0.000 0.755 217 L CB -0.633 41.390 42.059 -0.060 0.000 0.904 217 L HN 0.335 nan 8.230 nan 0.000 0.435 218 L N 0.072 121.291 121.223 -0.007 0.000 2.027 218 L HA -0.039 4.300 4.340 -0.001 0.000 0.206 218 L C 2.538 179.410 176.870 0.004 0.000 1.074 218 L CA 2.112 56.960 54.840 0.013 0.000 0.745 218 L CB -1.256 40.818 42.059 0.026 0.000 0.898 218 L HN 0.264 nan 8.230 nan 0.000 0.433 219 A N -0.423 122.393 122.820 -0.007 0.000 1.917 219 A HA -0.226 4.094 4.320 -0.001 0.000 0.219 219 A C 2.303 179.883 177.584 -0.007 0.000 1.182 219 A CA 1.754 53.786 52.037 -0.008 0.000 0.633 219 A CB -0.548 18.443 19.000 -0.016 0.000 0.819 219 A HN 0.448 nan 8.150 nan 0.000 0.448 220 R N -0.346 120.147 120.500 -0.012 0.000 2.075 220 R HA -0.003 4.337 4.340 -0.001 0.000 0.232 220 R C 2.093 178.392 176.300 -0.000 0.000 1.126 220 R CA 1.185 57.280 56.100 -0.008 0.000 0.963 220 R CB -1.199 29.093 30.300 -0.014 0.000 0.858 220 R HN 0.619 nan 8.270 nan 0.000 0.435 221 L N 0.924 122.149 121.223 0.004 0.000 2.046 221 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 221 L C 2.035 178.913 176.870 0.013 0.000 1.077 221 L CA 1.168 56.016 54.840 0.012 0.000 0.747 221 L CB -0.513 41.558 42.059 0.020 0.000 0.896 221 L HN 0.152 nan 8.230 nan 0.000 0.432 222 N N 0.382 119.090 118.700 0.012 0.000 2.166 222 N HA -0.132 4.608 4.740 -0.001 0.000 0.186 222 N C 1.756 177.271 175.510 0.008 0.000 1.019 222 N CA 1.460 54.517 53.050 0.012 0.000 0.856 222 N CB -0.213 38.281 38.487 0.011 0.000 0.993 222 N HN 0.288 nan 8.380 nan 0.000 0.426 223 A N 0.062 122.885 122.820 0.005 0.000 2.216 223 A HA 0.218 4.537 4.320 -0.001 0.000 0.214 223 A C 1.442 179.029 177.584 0.005 0.000 1.160 223 A CA 1.205 53.244 52.037 0.004 0.000 0.725 223 A CB -0.585 18.416 19.000 0.000 0.000 0.784 223 A HN 0.386 nan 8.150 nan 0.000 0.472 224 G N -1.264 107.540 108.800 0.007 0.000 2.132 224 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.228 224 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.228 224 G C 0.060 174.965 174.900 0.008 0.000 1.000 224 G CA 0.310 45.416 45.100 0.009 0.000 0.693 224 G HN 0.876 nan 8.290 nan 0.000 0.515 225 Q N 0.891 120.695 119.800 0.006 0.000 2.330 225 Q HA 0.412 4.751 4.340 -0.001 0.000 0.279 225 Q C -1.993 174.012 176.000 0.008 0.000 1.024 225 Q CA -1.117 54.689 55.803 0.005 0.000 0.900 225 Q CB 0.722 29.461 28.738 0.002 0.000 1.221 225 Q HN 0.258 nan 8.270 nan 0.000 0.396 226 P HA 0.244 nan 4.420 nan 0.000 0.291 226 P C -1.508 175.797 177.300 0.007 0.000 1.340 226 P CA -0.313 62.793 63.100 0.009 0.000 0.799 226 P CB 0.599 32.303 31.700 0.007 0.000 0.917 227 L N 2.356 123.587 121.223 0.013 0.000 2.611 227 L HA 0.391 4.731 4.340 -0.001 0.000 0.260 227 L C -0.963 175.921 176.870 0.024 0.000 0.924 227 L CA -0.104 54.743 54.840 0.013 0.000 0.901 227 L CB 2.197 44.261 42.059 0.009 0.000 1.369 227 L HN 0.107 nan 8.230 nan 0.000 0.415 228 S N 2.477 118.195 115.700 0.030 0.000 2.578 228 S HA 0.906 5.375 4.470 -0.001 0.000 0.283 228 S C -0.885 173.736 174.600 0.035 0.000 1.195 228 S CA -0.531 57.695 58.200 0.044 0.000 1.050 228 S CB 1.693 64.934 63.200 0.067 0.000 1.012 228 S HN 0.446 nan 8.310 nan 0.000 0.511 229 V N 2.729 122.665 119.914 0.036 0.000 2.760 229 V HA 0.535 4.654 4.120 -0.001 0.000 0.309 229 V C -0.907 175.203 176.094 0.027 0.000 1.077 229 V CA -0.721 61.590 62.300 0.019 0.000 0.910 229 V CB 2.037 33.859 31.823 -0.002 0.000 1.008 229 V HN 0.637 nan 8.190 nan 0.000 0.424 230 V N 5.700 125.625 119.914 0.018 0.000 2.409 230 V HA 0.510 4.630 4.120 -0.001 0.000 0.290 230 V C -0.518 175.568 176.094 -0.012 0.000 1.017 230 V CA -0.341 61.985 62.300 0.044 0.000 0.841 230 V CB 1.557 33.431 31.823 0.085 0.000 1.003 230 V HN 0.644 nan 8.190 nan 0.000 0.426 231 L N 3.615 124.783 121.223 -0.093 0.000 2.333 231 L HA 0.528 4.868 4.340 -0.001 0.000 0.280 231 L C 0.485 177.219 176.870 -0.226 0.000 1.004 231 L CA -0.299 54.322 54.840 -0.366 0.000 0.820 231 L CB 2.166 43.642 42.059 -0.971 0.000 1.247 231 L HN 0.628 nan 8.230 nan 0.000 0.416 232 D N 1.665 121.930 120.400 -0.224 0.000 2.417 232 D HA 0.092 4.732 4.640 -0.001 0.000 0.207 232 D C -0.087 176.095 176.300 -0.196 0.000 1.075 232 D CA 0.221 54.152 54.000 -0.114 0.000 0.851 232 D CB 0.872 41.479 40.800 -0.322 0.000 0.976 232 D HN 0.214 nan 8.370 nan 0.000 0.505 233 V N -2.519 117.101 119.914 -0.490 0.000 2.962 233 V HA 0.807 4.927 4.120 -0.001 0.000 0.313 233 V C -1.445 174.306 176.094 -0.572 0.000 1.099 233 V CA -0.979 61.074 62.300 -0.412 0.000 0.971 233 V CB 1.370 32.921 31.823 -0.453 0.000 1.028 233 V HN 0.022 nan 8.190 nan 0.000 0.430 234 W N -0.073 121.174 121.300 -0.087 0.000 3.022 234 W HA 0.632 5.291 4.660 -0.001 0.000 0.335 234 W C -0.115 176.347 176.519 -0.096 0.000 1.133 234 W CA -0.429 56.869 57.345 -0.078 0.000 1.219 234 W CB 1.510 30.919 29.460 -0.085 0.000 1.409 234 W HN 0.649 nan 8.180 nan 0.000 0.507 235 E N 0.770 121.053 120.200 0.139 0.000 2.392 235 E HA 0.356 4.705 4.350 -0.001 0.000 0.264 235 E C 0.980 177.613 176.600 0.055 0.000 1.024 235 E CA 1.173 57.619 56.400 0.076 0.000 0.903 235 E CB 0.685 30.432 29.700 0.078 0.000 0.963 235 E HN 0.835 nan 8.360 nan 0.000 0.432 236 G N 2.786 111.588 108.800 0.004 0.000 2.159 236 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.256 236 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.256 236 G C 0.028 174.858 174.900 -0.117 0.000 0.977 236 G CA 0.098 45.173 45.100 -0.041 0.000 0.652 236 G HN 0.610 nan 8.290 nan 0.000 0.531 237 E N 0.841 120.956 120.200 -0.141 0.000 2.568 237 E HA 0.112 4.461 4.350 -0.001 0.000 0.262 237 E C -0.567 175.899 176.600 -0.223 0.000 0.961 237 E CA -0.190 56.013 56.400 -0.329 0.000 0.945 237 E CB 0.889 30.487 29.700 -0.169 0.000 0.924 237 E HN 0.309 nan 8.360 nan 0.000 0.467 238 P HA -0.024 nan 4.420 nan 0.000 0.241 238 P C -0.466 176.512 177.300 -0.536 0.000 1.191 238 P CA 0.563 63.308 63.100 -0.592 0.000 0.771 238 P CB 0.402 32.028 31.700 -0.125 0.000 0.929 239 D N 1.717 121.935 120.400 -0.303 0.000 2.558 239 D HA 0.156 4.795 4.640 -0.001 0.000 0.221 239 D C 0.562 176.727 176.300 -0.224 0.000 1.143 239 D CA -0.156 53.714 54.000 -0.216 0.000 1.010 239 D CB 0.136 40.866 40.800 -0.118 0.000 1.068 239 D HN 0.116 nan 8.370 nan 0.000 0.511 240 L N -0.479 120.543 121.223 -0.335 0.000 2.453 240 L HA 0.308 4.648 4.340 -0.001 0.000 0.261 240 L C 0.622 177.394 176.870 -0.162 0.000 1.179 240 L CA -0.713 53.955 54.840 -0.288 0.000 0.813 240 L CB 0.048 41.707 42.059 -0.666 0.000 1.110 240 L HN -0.103 nan 8.230 nan 0.000 0.466 241 N N 0.685 119.365 118.700 -0.034 0.000 2.416 241 N HA 0.030 4.770 4.740 -0.001 0.000 0.271 241 N C 0.779 176.274 175.510 -0.025 0.000 1.245 241 N CA 0.114 53.168 53.050 0.006 0.000 0.940 241 N CB 0.932 39.470 38.487 0.085 0.000 1.175 241 N HN 0.594 nan 8.380 nan 0.000 0.483 242 V N 4.040 123.921 119.914 -0.055 0.000 2.427 242 V HA -0.204 3.916 4.120 -0.001 0.000 0.248 242 V C 2.314 178.405 176.094 -0.004 0.000 1.051 242 V CA 2.054 64.318 62.300 -0.061 0.000 1.048 242 V CB -0.967 30.825 31.823 -0.051 0.000 0.666 242 V HN 0.763 nan 8.190 nan 0.000 0.456 243 A N 0.011 122.842 122.820 0.017 0.000 1.933 243 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 243 A C 2.164 179.791 177.584 0.071 0.000 1.175 243 A CA 2.048 54.107 52.037 0.036 0.000 0.628 243 A CB -0.543 18.474 19.000 0.029 0.000 0.814 243 A HN 0.458 nan 8.150 nan 0.000 0.444 244 L N -0.715 120.571 121.223 0.106 0.000 2.046 244 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 244 L C 2.225 179.249 176.870 0.257 0.000 1.077 244 L CA 2.025 56.973 54.840 0.179 0.000 0.747 244 L CB -0.623 41.582 42.059 0.243 0.000 0.896 244 L HN 0.362 nan 8.230 nan 0.000 0.432 245 L N -0.113 121.253 121.223 0.238 0.000 2.042 245 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 245 L C 2.344 179.312 176.870 0.162 0.000 1.076 245 L CA 1.890 56.872 54.840 0.237 0.000 0.749 245 L CB -0.803 41.243 42.059 -0.021 0.000 0.893 245 L HN 0.433 nan 8.230 nan 0.000 0.432 246 E N -0.610 119.647 120.200 0.095 0.000 2.268 246 E HA -0.135 4.215 4.350 -0.001 0.000 0.195 246 E C 1.969 178.616 176.600 0.078 0.000 0.995 246 E CA 0.849 57.292 56.400 0.072 0.000 0.836 246 E CB -0.183 29.544 29.700 0.044 0.000 0.763 246 E HN 0.677 nan 8.360 nan 0.000 0.491 247 A N 1.414 124.290 122.820 0.092 0.000 2.030 247 A HA 0.050 4.369 4.320 -0.001 0.000 0.215 247 A C 1.417 179.055 177.584 0.089 0.000 1.164 247 A CA 0.090 52.174 52.037 0.079 0.000 0.697 247 A CB -0.143 18.897 19.000 0.067 0.000 0.827 247 A HN 0.139 nan 8.150 nan 0.000 0.457 248 V N -1.755 118.235 119.914 0.127 0.000 2.953 248 V HA 0.320 4.440 4.120 -0.001 0.000 0.304 248 V C 0.438 176.596 176.094 0.106 0.000 1.073 248 V CA 0.239 62.608 62.300 0.115 0.000 1.064 248 V CB 0.786 32.693 31.823 0.140 0.000 1.047 248 V HN 0.359 nan 8.190 nan 0.000 0.478 249 D N 1.419 121.869 120.400 0.083 0.000 2.103 249 D HA 0.166 4.806 4.640 -0.001 0.000 0.199 249 D C 0.299 176.647 176.300 0.081 0.000 0.978 249 D CA 1.324 55.368 54.000 0.074 0.000 0.829 249 D CB 0.077 40.915 40.800 0.063 0.000 0.981 249 D HN 0.433 nan 8.370 nan 0.000 0.464 250 I N 0.474 121.100 120.570 0.093 0.000 2.499 250 I HA 0.458 4.628 4.170 -0.001 0.000 0.288 250 I C -0.129 176.100 176.117 0.187 0.000 1.048 250 I CA -0.440 60.926 61.300 0.111 0.000 1.062 250 I CB 1.697 39.735 38.000 0.062 0.000 1.238 250 I HN -0.105 nan 8.210 nan 0.000 0.426 251 G N 4.189 113.153 108.800 0.275 0.000 2.643 251 G HA2 0.725 4.685 3.960 -0.001 0.000 0.305 251 G HA3 0.725 4.685 3.960 -0.001 0.000 0.305 251 G C -0.632 174.548 174.900 0.466 0.000 1.387 251 G CA -0.325 45.070 45.100 0.491 0.000 0.982 251 G HN 0.581 nan 8.290 nan 0.000 0.501 252 T N -1.669 113.210 114.554 0.541 0.000 2.887 252 T HA 0.615 4.964 4.350 -0.001 0.000 0.292 252 T C 0.568 175.512 174.700 0.407 0.000 1.087 252 T CA -0.473 61.869 62.100 0.403 0.000 1.009 252 T CB 1.715 70.831 68.868 0.412 0.000 1.203 252 T HN 0.910 nan 8.240 nan 0.000 0.518 253 S N 0.232 115.982 115.700 0.084 0.000 3.266 253 S HA 0.203 4.672 4.470 -0.001 0.000 0.209 253 S C 0.329 174.795 174.600 -0.223 0.000 1.409 253 S CA -0.362 57.630 58.200 -0.347 0.000 1.179 253 S CB -1.510 61.194 63.200 -0.826 0.000 1.218 253 S HN 1.179 nan 8.310 nan 0.000 0.514 254 H N 0.409 119.473 119.070 -0.009 0.000 2.750 254 H HA -0.154 4.401 4.556 -0.000 0.000 0.327 254 H C 0.016 175.060 175.328 -0.474 0.000 1.199 254 H CA 0.677 56.665 56.048 -0.099 0.000 1.149 254 H CB -1.285 28.555 29.762 0.129 0.000 1.543 254 H HN 0.783 nan 8.280 nan 0.000 0.427 255 I N -2.539 117.803 120.570 -0.380 0.000 4.240 255 I HA 0.438 4.607 4.170 -0.001 0.000 0.331 255 I C 2.003 177.732 176.117 -0.646 0.000 1.381 255 I CA 0.466 61.262 61.300 -0.839 0.000 1.136 255 I CB -0.071 37.439 38.000 -0.816 0.000 1.137 255 I HN 0.246 nan 8.210 nan 0.000 0.411 256 A N 1.833 124.345 122.820 -0.514 0.000 1.997 256 A HA -0.059 4.260 4.320 -0.001 0.000 0.221 256 A C 2.245 179.649 177.584 -0.301 0.000 1.172 256 A CA 1.997 53.703 52.037 -0.551 0.000 0.645 256 A CB -1.444 17.035 19.000 -0.869 0.000 0.813 256 A HN 0.565 nan 8.150 nan 0.000 0.454 257 G N -3.048 105.562 108.800 -0.317 0.000 2.985 257 G HA2 0.179 4.139 3.960 -0.001 0.000 0.209 257 G HA3 0.179 4.139 3.960 -0.001 0.000 0.209 257 G C 0.202 175.116 174.900 0.023 0.000 1.165 257 G CA -0.004 45.014 45.100 -0.137 0.000 0.776 257 G HN 0.405 nan 8.290 nan 0.000 0.541 258 Y N 2.689 122.886 120.300 -0.173 0.000 2.812 258 Y HA 0.293 4.843 4.550 -0.000 0.000 0.354 258 Y C 1.146 177.042 175.900 -0.008 0.000 1.276 258 Y CA -1.494 56.528 58.100 -0.129 0.000 1.639 258 Y CB -0.859 37.411 38.460 -0.316 0.000 1.741 258 Y HN 0.046 nan 8.280 nan 0.000 0.479 259 T N -3.354 111.272 114.554 0.121 0.000 2.902 259 T HA 0.294 4.644 4.350 -0.001 0.000 0.280 259 T C 1.242 175.989 174.700 0.079 0.000 0.992 259 T CA -0.721 61.426 62.100 0.079 0.000 1.015 259 T CB 1.634 70.508 68.868 0.012 0.000 1.044 259 T HN 0.240 nan 8.240 nan 0.000 0.520 260 L N 0.851 122.116 121.223 0.071 0.000 2.017 260 L HA -0.005 4.335 4.340 -0.001 0.000 0.208 260 L C 2.661 179.577 176.870 0.077 0.000 1.073 260 L CA 1.845 56.724 54.840 0.065 0.000 0.745 260 L CB -0.863 41.238 42.059 0.069 0.000 0.894 260 L HN 0.793 nan 8.230 nan 0.000 0.432 261 E N -0.809 119.429 120.200 0.063 0.000 2.085 261 E HA -0.173 4.177 4.350 -0.001 0.000 0.194 261 E C 2.170 178.801 176.600 0.052 0.000 0.994 261 E CA 1.264 57.697 56.400 0.055 0.000 0.801 261 E CB -0.786 28.931 29.700 0.028 0.000 0.743 261 E HN 0.527 nan 8.360 nan 0.000 0.453 262 G N 1.011 109.836 108.800 0.042 0.000 2.418 262 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.217 262 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.217 262 G C 1.328 176.263 174.900 0.059 0.000 1.158 262 G CA 0.912 46.039 45.100 0.044 0.000 0.771 262 G HN 0.176 nan 8.290 nan 0.000 0.545 263 K N 0.627 121.060 120.400 0.056 0.000 2.057 263 K HA 0.075 4.395 4.320 -0.001 0.000 0.206 263 K C 2.951 179.598 176.600 0.078 0.000 1.050 263 K CA 0.977 57.290 56.287 0.043 0.000 0.935 263 K CB -0.240 32.256 32.500 -0.007 0.000 0.715 263 K HN 0.257 nan 8.250 nan 0.000 0.439 264 A N 1.717 124.607 122.820 0.118 0.000 1.933 264 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 264 A C 2.130 179.788 177.584 0.124 0.000 1.175 264 A CA 1.309 53.461 52.037 0.192 0.000 0.628 264 A CB -0.451 18.714 19.000 0.274 0.000 0.814 264 A HN 0.198 nan 8.150 nan 0.000 0.444 265 R N -0.723 119.828 120.500 0.084 0.000 2.105 265 R HA -0.139 4.200 4.340 -0.001 0.000 0.239 265 R C 2.278 178.628 176.300 0.083 0.000 1.135 265 R CA 1.357 57.497 56.100 0.067 0.000 0.967 265 R CB -0.602 29.727 30.300 0.048 0.000 0.861 265 R HN 0.528 nan 8.270 nan 0.000 0.442 266 G N -0.782 108.073 108.800 0.090 0.000 2.446 266 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.217 266 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.217 266 G C 1.301 176.287 174.900 0.143 0.000 1.168 266 G CA 1.354 46.517 45.100 0.104 0.000 0.771 266 G HN 0.329 nan 8.290 nan 0.000 0.551 267 T N 0.413 115.061 114.554 0.158 0.000 2.746 267 T HA -0.114 4.235 4.350 -0.001 0.000 0.267 267 T C 2.514 177.327 174.700 0.188 0.000 1.039 267 T CA 1.696 63.928 62.100 0.220 0.000 1.142 267 T CB -0.534 68.458 68.868 0.207 0.000 0.866 267 T HN 0.267 nan 8.240 nan 0.000 0.444 268 T N 1.826 116.453 114.554 0.122 0.000 2.746 268 T HA -0.121 4.229 4.350 -0.001 0.000 0.267 268 T C 2.187 176.980 174.700 0.155 0.000 1.039 268 T CA 1.314 63.471 62.100 0.095 0.000 1.142 268 T CB -0.242 68.653 68.868 0.046 0.000 0.866 268 T HN 0.477 nan 8.240 nan 0.000 0.444 269 Q N -0.154 119.726 119.800 0.133 0.000 2.123 269 Q HA 0.010 4.349 4.340 -0.001 0.000 0.199 269 Q C 2.440 178.530 176.000 0.150 0.000 0.966 269 Q CA 0.901 56.776 55.803 0.119 0.000 0.845 269 Q CB -0.137 28.652 28.738 0.085 0.000 0.907 269 Q HN 0.309 nan 8.270 nan 0.000 0.439 270 V N 0.675 120.713 119.914 0.207 0.000 2.626 270 V HA -0.211 3.908 4.120 -0.001 0.000 0.252 270 V C 1.764 178.091 176.094 0.389 0.000 1.067 270 V CA 1.371 63.844 62.300 0.289 0.000 1.081 270 V CB -0.473 31.545 31.823 0.324 0.000 0.686 270 V HN 0.337 nan 8.190 nan 0.000 0.468 271 F N 1.473 121.490 119.950 0.112 0.000 2.113 271 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 271 F C 2.214 178.005 175.800 -0.015 0.000 1.103 271 F CA 2.033 59.938 58.000 -0.158 0.000 1.248 271 F CB -0.244 38.480 39.000 -0.462 0.000 0.999 271 F HN 0.218 nan 8.300 nan 0.000 0.475 272 E N 0.650 120.796 120.200 -0.091 0.000 2.012 272 E HA -0.252 4.097 4.350 -0.001 0.000 0.197 272 E C 2.421 178.955 176.600 -0.111 0.000 1.007 272 E CA 1.425 57.725 56.400 -0.167 0.000 0.816 272 E CB -0.705 28.989 29.700 -0.010 0.000 0.762 272 E HN 0.475 nan 8.360 nan 0.000 0.451 273 A N 0.678 123.512 122.820 0.022 0.000 1.927 273 A HA -0.264 4.056 4.320 -0.001 0.000 0.220 273 A C 2.116 179.734 177.584 0.058 0.000 1.185 273 A CA 1.864 53.953 52.037 0.087 0.000 0.639 273 A CB -0.877 18.225 19.000 0.170 0.000 0.820 273 A HN 0.420 nan 8.150 nan 0.000 0.451 274 Y N 1.473 121.676 120.300 -0.162 0.000 2.314 274 Y HA -0.141 4.408 4.550 -0.001 0.000 0.293 274 Y C 2.939 178.694 175.900 -0.241 0.000 1.129 274 Y CA 1.273 59.144 58.100 -0.383 0.000 1.201 274 Y CB -0.441 37.901 38.460 -0.197 0.000 0.999 274 Y HN 0.465 nan 8.280 nan 0.000 0.541 275 S N -0.236 115.271 115.700 -0.322 0.000 2.402 275 S HA -0.111 4.358 4.470 -0.001 0.000 0.229 275 S C 2.233 176.666 174.600 -0.279 0.000 1.021 275 S CA 0.763 58.724 58.200 -0.399 0.000 0.974 275 S CB -0.863 62.010 63.200 -0.546 0.000 0.800 275 S HN 0.417 nan 8.310 nan 0.000 0.484 276 A N 1.810 124.519 122.820 -0.186 0.000 1.835 276 A HA 0.063 4.382 4.320 -0.001 0.000 0.215 276 A C 1.972 179.502 177.584 -0.090 0.000 1.199 276 A CA 1.463 53.440 52.037 -0.101 0.000 0.615 276 A CB -1.466 17.519 19.000 -0.024 0.000 0.838 276 A HN 0.593 nan 8.150 nan 0.000 0.444 277 F N 1.312 121.142 119.950 -0.200 0.000 2.225 277 F HA -0.191 4.335 4.527 -0.001 0.000 0.302 277 F C 1.616 177.267 175.800 -0.248 0.000 1.068 277 F CA 1.896 59.795 58.000 -0.169 0.000 1.327 277 F CB 0.004 38.907 39.000 -0.162 0.000 1.043 277 F HN 0.370 nan 8.300 nan 0.000 0.506 278 I N -3.586 116.751 120.570 -0.388 0.000 4.025 278 I HA 0.478 4.647 4.170 -0.001 0.000 0.336 278 I C 1.388 177.335 176.117 -0.284 0.000 1.390 278 I CA 0.699 61.754 61.300 -0.410 0.000 1.099 278 I CB -0.192 37.538 38.000 -0.449 0.000 1.049 278 I HN 0.189 nan 8.210 nan 0.000 0.394 279 G N 2.440 111.098 108.800 -0.236 0.000 2.176 279 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.253 279 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.253 279 G C 0.650 175.463 174.900 -0.145 0.000 0.979 279 G CA -0.155 44.844 45.100 -0.169 0.000 0.641 279 G HN 0.478 nan 8.290 nan 0.000 0.530 280 R N 0.989 121.386 120.500 -0.172 0.000 3.179 280 R HA 0.159 4.499 4.340 -0.001 0.000 0.317 280 R C 0.034 176.239 176.300 -0.158 0.000 1.331 280 R CA -0.442 55.573 56.100 -0.142 0.000 1.184 280 R CB 0.148 30.372 30.300 -0.127 0.000 1.408 280 R HN 0.438 nan 8.270 nan 0.000 0.598 281 E N 2.037 122.148 120.200 -0.147 0.000 2.829 281 E HA -0.161 4.188 4.350 -0.001 0.000 0.264 281 E C -0.175 176.353 176.600 -0.119 0.000 0.922 281 E CA 1.280 57.594 56.400 -0.143 0.000 0.960 281 E CB 0.459 30.103 29.700 -0.094 0.000 0.918 281 E HN 0.329 nan 8.360 nan 0.000 0.497 282 Q N 0.337 120.049 119.800 -0.147 0.000 2.534 282 Q HA 0.444 4.784 4.340 -0.001 0.000 0.290 282 Q C -0.759 175.241 176.000 -0.000 0.000 0.991 282 Q CA -0.659 55.113 55.803 -0.051 0.000 0.783 282 Q CB 2.430 31.175 28.738 0.012 0.000 1.470 282 Q HN 0.302 nan 8.270 nan 0.000 0.406 283 R N 0.004 120.548 120.500 0.075 0.000 2.919 283 R HA 0.916 5.256 4.340 -0.001 0.000 0.260 283 R C -1.879 174.500 176.300 0.131 0.000 1.067 283 R CA -0.515 55.642 56.100 0.095 0.000 1.003 283 R CB 1.768 32.094 30.300 0.043 0.000 1.192 283 R HN 0.487 nan 8.270 nan 0.000 0.488 284 V N 0.476 120.441 119.914 0.086 0.000 2.903 284 V HA 0.713 4.833 4.120 -0.001 0.000 0.289 284 V C -1.017 175.064 176.094 -0.021 0.000 1.355 284 V CA -0.056 62.251 62.300 0.011 0.000 0.953 284 V CB 1.931 33.716 31.823 -0.062 0.000 1.102 284 V HN 1.333 nan 8.190 nan 0.000 0.435 285 A N 5.950 128.746 122.820 -0.040 0.000 2.328 285 A HA 0.607 4.927 4.320 -0.001 0.000 0.284 285 A C 1.031 178.569 177.584 -0.077 0.000 1.160 285 A CA -0.334 51.679 52.037 -0.041 0.000 0.818 285 A CB 0.784 19.766 19.000 -0.030 0.000 1.087 285 A HN 1.075 nan 8.150 nan 0.000 0.504 286 L N 1.359 122.543 121.223 -0.066 0.000 1.978 286 L HA -0.216 4.124 4.340 -0.001 0.000 0.218 286 L C 2.773 179.568 176.870 -0.124 0.000 1.075 286 L CA 2.386 57.170 54.840 -0.093 0.000 0.767 286 L CB -0.436 41.596 42.059 -0.044 0.000 0.890 286 L HN 1.000 nan 8.230 nan 0.000 0.434 287 E N -0.376 119.778 120.200 -0.076 0.000 2.333 287 E HA -0.213 4.137 4.350 -0.001 0.000 0.198 287 E C 1.686 178.230 176.600 -0.093 0.000 1.007 287 E CA 1.596 57.956 56.400 -0.066 0.000 0.845 287 E CB -0.887 28.797 29.700 -0.027 0.000 0.766 287 E HN 0.629 nan 8.360 nan 0.000 0.507 288 T N -1.190 113.296 114.554 -0.114 0.000 3.035 288 T HA 0.018 4.367 4.350 -0.001 0.000 0.268 288 T C 1.953 176.535 174.700 -0.197 0.000 1.109 288 T CA 0.625 62.649 62.100 -0.127 0.000 1.119 288 T CB -0.238 68.561 68.868 -0.116 0.000 0.900 288 T HN 0.198 nan 8.240 nan 0.000 0.503 289 L N -0.473 120.569 121.223 -0.302 0.000 2.286 289 L HA 0.426 4.766 4.340 -0.001 0.000 0.203 289 L C 0.947 177.557 176.870 -0.433 0.000 1.068 289 L CA -0.053 54.447 54.840 -0.567 0.000 0.811 289 L CB -0.234 41.206 42.059 -1.031 0.000 0.989 289 L HN 0.185 nan 8.230 nan 0.000 0.467 290 L N 2.421 123.503 121.223 -0.235 0.000 2.416 290 L HA 0.164 4.504 4.340 -0.001 0.000 0.272 290 L C -1.731 175.142 176.870 0.006 0.000 1.161 290 L CA -1.654 53.161 54.840 -0.042 0.000 0.845 290 L CB -0.144 41.911 42.059 -0.007 0.000 1.119 290 L HN -0.029 nan 8.230 nan 0.000 0.464 291 P HA 0.148 nan 4.420 nan 0.000 0.272 291 P C -0.720 176.598 177.300 0.029 0.000 1.230 291 P CA -0.582 62.544 63.100 0.043 0.000 0.788 291 P CB 0.700 32.435 31.700 0.058 0.000 0.949 292 A N 3.000 125.829 122.820 0.015 0.000 2.462 292 A HA 0.416 4.736 4.320 -0.001 0.000 0.243 292 A C -1.654 175.940 177.584 0.016 0.000 1.076 292 A CA -0.737 51.308 52.037 0.013 0.000 0.773 292 A CB -1.300 17.700 19.000 -0.001 0.000 1.010 292 A HN 0.484 nan 8.150 nan 0.000 0.493 293 P HA 0.285 nan 4.420 nan 0.000 0.278 293 P C 0.221 177.503 177.300 -0.030 0.000 1.266 293 P CA -0.392 62.729 63.100 0.034 0.000 0.807 293 P CB 0.749 32.507 31.700 0.096 0.000 1.094 294 E N -0.517 119.624 120.200 -0.099 0.000 2.070 294 E HA -0.133 4.216 4.350 -0.001 0.000 0.197 294 E C -0.118 176.173 176.600 -0.514 0.000 1.004 294 E CA 1.465 57.654 56.400 -0.352 0.000 0.805 294 E CB -0.315 29.096 29.700 -0.482 0.000 0.744 294 E HN 0.376 nan 8.360 nan 0.000 0.451 295 F N -0.437 119.560 119.950 0.078 0.000 2.366 295 F HA 0.360 4.888 4.527 0.000 0.000 0.366 295 F C 1.031 176.892 175.800 0.101 0.000 1.096 295 F CA -0.658 57.393 58.000 0.084 0.000 1.060 295 F CB 1.605 40.661 39.000 0.093 0.000 1.282 295 F HN -0.101 nan 8.300 nan 0.000 0.450 296 G N 2.757 111.683 108.800 0.210 0.000 2.459 296 G HA2 0.106 4.066 3.960 -0.001 0.000 0.213 296 G HA3 0.106 4.066 3.960 -0.001 0.000 0.213 296 G C 0.615 175.647 174.900 0.221 0.000 1.155 296 G CA 0.005 45.210 45.100 0.174 0.000 0.811 296 G HN 0.365 nan 8.290 nan 0.000 0.534 297 R N -0.871 119.762 120.500 0.222 0.000 2.725 297 R HA 0.730 5.070 4.340 -0.001 0.000 0.277 297 R C -1.800 174.613 176.300 0.188 0.000 0.987 297 R CA -0.645 55.603 56.100 0.246 0.000 0.901 297 R CB 2.629 33.057 30.300 0.214 0.000 1.207 297 R HN 0.176 nan 8.270 nan 0.000 0.463 298 I N 0.532 121.192 120.570 0.149 0.000 2.841 298 I HA 0.301 4.470 4.170 -0.001 0.000 0.298 298 I C -0.904 175.234 176.117 0.035 0.000 1.304 298 I CA -0.418 60.924 61.300 0.070 0.000 1.019 298 I CB 2.799 40.811 38.000 0.021 0.000 1.282 298 I HN 0.770 nan 8.210 nan 0.000 0.432 299 T N 4.373 118.936 114.554 0.015 0.000 2.902 299 T HA 0.660 5.009 4.350 -0.001 0.000 0.283 299 T C -0.856 173.830 174.700 -0.024 0.000 1.009 299 T CA -0.647 61.453 62.100 -0.001 0.000 1.051 299 T CB 1.748 70.619 68.868 0.003 0.000 0.999 299 T HN 0.427 nan 8.240 nan 0.000 0.474 300 L N 2.470 123.676 121.223 -0.028 0.000 2.376 300 L HA 0.554 4.894 4.340 -0.001 0.000 0.275 300 L C -0.953 175.931 176.870 0.023 0.000 0.987 300 L CA -0.693 54.126 54.840 -0.034 0.000 0.828 300 L CB 1.539 43.538 42.059 -0.101 0.000 1.249 300 L HN 0.988 nan 8.230 nan 0.000 0.409 301 H N 4.850 123.885 119.070 -0.060 0.000 2.488 301 H HA 0.755 5.311 4.556 -0.001 0.000 0.322 301 H C 0.207 175.507 175.328 -0.047 0.000 1.078 301 H CA 0.629 56.649 56.048 -0.045 0.000 1.260 301 H CB 1.020 30.756 29.762 -0.044 0.000 1.425 301 H HN 1.066 nan 8.280 nan 0.000 0.471 302 G N 3.927 112.414 108.800 -0.522 0.000 2.710 302 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.668 302 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.668 302 G C -2.827 171.951 174.900 -0.204 0.000 1.320 302 G CA -0.754 44.106 45.100 -0.401 0.000 0.860 302 G HN 0.712 nan 8.290 nan 0.000 0.538 303 P HA 0.528 nan 4.420 nan 0.000 0.274 303 P C -0.136 177.092 177.300 -0.119 0.000 1.246 303 P CA -0.697 62.330 63.100 -0.123 0.000 0.795 303 P CB 0.802 32.441 31.700 -0.101 0.000 1.006 304 L N 2.503 123.657 121.223 -0.115 0.000 2.326 304 L HA 0.434 4.773 4.340 -0.001 0.000 0.278 304 L C -0.071 176.740 176.870 -0.099 0.000 1.092 304 L CA 0.372 55.137 54.840 -0.125 0.000 0.810 304 L CB 0.093 42.066 42.059 -0.143 0.000 1.153 304 L HN 0.453 nan 8.230 nan 0.000 0.439 305 D N 1.376 121.716 120.400 -0.100 0.000 2.732 305 D HA 0.163 4.803 4.640 -0.001 0.000 0.292 305 D C 0.267 176.517 176.300 -0.083 0.000 1.135 305 D CA -0.520 53.435 54.000 -0.075 0.000 1.071 305 D CB 0.715 41.477 40.800 -0.063 0.000 1.457 305 D HN 0.524 nan 8.370 nan 0.000 0.547 306 Q N -0.609 119.154 119.800 -0.061 0.000 2.050 306 Q HA -0.029 4.311 4.340 -0.001 0.000 0.202 306 Q C -0.973 174.970 176.000 -0.095 0.000 0.980 306 Q CA 1.857 57.622 55.803 -0.063 0.000 0.840 306 Q CB -1.015 27.701 28.738 -0.036 0.000 0.898 306 Q HN 0.337 nan 8.270 nan 0.000 0.424 307 P HA -0.122 nan 4.420 nan 0.000 0.215 307 P C 1.007 178.231 177.300 -0.125 0.000 1.153 307 P CA 1.723 64.762 63.100 -0.101 0.000 0.853 307 P CB -0.150 31.503 31.700 -0.078 0.000 0.788 308 T N -0.122 114.355 114.554 -0.129 0.000 2.777 308 T HA -0.125 4.225 4.350 -0.001 0.000 0.266 308 T C 1.662 176.228 174.700 -0.222 0.000 1.040 308 T CA 0.973 62.977 62.100 -0.159 0.000 1.141 308 T CB -0.855 67.922 68.868 -0.151 0.000 0.868 308 T HN 0.018 nan 8.240 nan 0.000 0.444 309 L N 1.481 122.569 121.223 -0.225 0.000 2.093 309 L HA 0.088 4.428 4.340 -0.001 0.000 0.208 309 L C 2.284 178.977 176.870 -0.295 0.000 1.085 309 L CA 1.824 56.488 54.840 -0.293 0.000 0.755 309 L CB -0.552 41.372 42.059 -0.224 0.000 0.904 309 L HN 0.076 nan 8.230 nan 0.000 0.435 310 K N -0.393 119.860 120.400 -0.244 0.000 2.002 310 K HA -0.225 4.094 4.320 -0.001 0.000 0.209 310 K C 2.268 178.684 176.600 -0.307 0.000 1.048 310 K CA 1.731 57.824 56.287 -0.323 0.000 0.930 310 K CB -0.153 32.186 32.500 -0.268 0.000 0.714 310 K HN 0.286 nan 8.250 nan 0.000 0.438 311 R N 0.533 120.910 120.500 -0.205 0.000 2.096 311 R HA -0.153 4.186 4.340 -0.001 0.000 0.240 311 R C 2.483 178.690 176.300 -0.154 0.000 1.139 311 R CA 1.930 57.943 56.100 -0.145 0.000 0.952 311 R CB -0.506 29.715 30.300 -0.131 0.000 0.854 311 R HN 0.240 nan 8.270 nan 0.000 0.436 312 L N -0.164 120.910 121.223 -0.248 0.000 1.994 312 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 312 L C 2.707 179.496 176.870 -0.135 0.000 1.071 312 L CA 1.372 56.037 54.840 -0.291 0.000 0.745 312 L CB -0.591 41.062 42.059 -0.675 0.000 0.892 312 L HN 0.287 nan 8.230 nan 0.000 0.431 313 A N -0.865 121.831 122.820 -0.206 0.000 1.902 313 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 313 A C 2.003 179.733 177.584 0.244 0.000 1.181 313 A CA 1.598 53.584 52.037 -0.085 0.000 0.623 313 A CB -0.987 17.930 19.000 -0.138 0.000 0.818 313 A HN 0.519 nan 8.150 nan 0.000 0.443 314 H N -1.646 117.462 119.070 0.062 0.000 2.495 314 H HA -0.021 4.534 4.556 -0.001 0.000 0.287 314 H C 1.962 177.323 175.328 0.056 0.000 1.033 314 H CA 0.635 56.717 56.048 0.056 0.000 1.307 314 H CB 0.089 29.847 29.762 -0.006 0.000 1.401 314 H HN 0.424 nan 8.280 nan 0.000 0.555 315 L N 0.783 122.086 121.223 0.134 0.000 2.042 315 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 315 L C 1.978 178.949 176.870 0.168 0.000 1.076 315 L CA 1.314 56.175 54.840 0.036 0.000 0.749 315 L CB -0.401 41.610 42.059 -0.080 0.000 0.893 315 L HN 0.043 nan 8.230 nan 0.000 0.432 316 V N -1.762 118.322 119.914 0.284 0.000 2.346 316 V HA -0.101 4.019 4.120 -0.001 0.000 0.244 316 V C 0.261 176.645 176.094 0.484 0.000 1.037 316 V CA 1.152 63.693 62.300 0.402 0.000 1.029 316 V CB -0.586 31.538 31.823 0.502 0.000 0.663 316 V HN 0.482 nan 8.190 nan 0.000 0.454 317 Y N 0.676 121.183 120.300 0.346 0.000 2.287 317 Y HA 0.469 5.018 4.550 -0.001 0.000 0.321 317 Y C -1.577 174.485 175.900 0.270 0.000 1.173 317 Y CA -1.963 56.310 58.100 0.288 0.000 1.124 317 Y CB 1.060 39.701 38.460 0.302 0.000 1.201 317 Y HN 0.133 nan 8.280 nan 0.000 0.421 318 D N 5.033 125.218 120.400 -0.358 0.000 2.373 318 D HA 0.135 4.775 4.640 -0.001 0.000 0.227 318 D C 0.773 176.552 176.300 -0.868 0.000 1.091 318 D CA 0.072 53.672 54.000 -0.667 0.000 0.840 318 D CB 2.119 42.579 40.800 -0.566 0.000 1.060 318 D HN 0.537 nan 8.370 nan 0.000 0.502 319 V N 5.608 124.986 119.914 -0.892 0.000 2.688 319 V HA -0.227 3.892 4.120 -0.001 0.000 0.256 319 V C 2.044 177.969 176.094 -0.281 0.000 1.084 319 V CA 1.804 63.710 62.300 -0.657 0.000 1.103 319 V CB -0.280 31.250 31.823 -0.489 0.000 0.688 319 V HN 0.518 nan 8.190 nan 0.000 0.480 320 R N -0.447 119.892 120.500 -0.268 0.000 2.189 320 R HA -0.088 4.252 4.340 -0.001 0.000 0.223 320 R C 2.461 178.723 176.300 -0.063 0.000 1.092 320 R CA 0.987 57.012 56.100 -0.125 0.000 0.989 320 R CB -0.506 29.718 30.300 -0.127 0.000 0.876 320 R HN 0.394 nan 8.270 nan 0.000 0.457 321 R N 1.432 121.878 120.500 -0.091 0.000 2.133 321 R HA -0.201 4.139 4.340 -0.001 0.000 0.247 321 R C 0.399 176.755 176.300 0.094 0.000 1.151 321 R CA 1.968 58.071 56.100 0.004 0.000 0.971 321 R CB -0.145 30.166 30.300 0.020 0.000 0.866 321 R HN 0.258 nan 8.270 nan 0.000 0.447 322 D N -0.591 119.901 120.400 0.153 0.000 2.366 322 D HA -0.064 4.575 4.640 -0.001 0.000 0.205 322 D C 1.329 177.736 176.300 0.178 0.000 1.022 322 D CA 0.286 54.428 54.000 0.237 0.000 0.868 322 D CB -0.123 40.925 40.800 0.415 0.000 0.953 322 D HN 0.357 nan 8.370 nan 0.000 0.514 323 D N 1.305 121.784 120.400 0.132 0.000 2.103 323 D HA -0.087 4.553 4.640 -0.001 0.000 0.199 323 D C 1.966 178.321 176.300 0.091 0.000 0.978 323 D CA 0.875 54.949 54.000 0.123 0.000 0.829 323 D CB 0.462 41.316 40.800 0.090 0.000 0.981 323 D HN 0.005 nan 8.370 nan 0.000 0.464 324 A N 1.836 124.694 122.820 0.062 0.000 1.873 324 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 324 A C -0.161 177.453 177.584 0.050 0.000 1.193 324 A CA 2.225 54.291 52.037 0.047 0.000 0.629 324 A CB -1.755 17.264 19.000 0.030 0.000 0.826 324 A HN 0.357 nan 8.150 nan 0.000 0.447 325 P HA -0.084 nan 4.420 nan 0.000 0.219 325 P C 1.631 178.957 177.300 0.044 0.000 1.150 325 P CA 0.802 63.931 63.100 0.048 0.000 0.814 325 P CB -0.161 31.571 31.700 0.054 0.000 0.787 326 L N 0.571 121.827 121.223 0.055 0.000 2.017 326 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 326 L C 2.570 179.459 176.870 0.032 0.000 1.073 326 L CA 1.828 56.691 54.840 0.039 0.000 0.745 326 L CB -1.150 40.946 42.059 0.061 0.000 0.894 326 L HN -0.232 nan 8.230 nan 0.000 0.432 327 R N -0.617 119.911 120.500 0.047 0.000 2.127 327 R HA -0.183 4.157 4.340 -0.001 0.000 0.238 327 R C 2.311 178.625 176.300 0.024 0.000 1.134 327 R CA 1.475 57.597 56.100 0.036 0.000 0.975 327 R CB -0.248 30.080 30.300 0.047 0.000 0.865 327 R HN 0.374 nan 8.270 nan 0.000 0.447 328 K N 0.792 121.207 120.400 0.025 0.000 2.296 328 K HA -0.047 4.273 4.320 -0.001 0.000 0.200 328 K C 1.215 177.824 176.600 0.015 0.000 1.048 328 K CA 1.134 57.433 56.287 0.020 0.000 0.966 328 K CB 0.505 33.018 32.500 0.021 0.000 0.754 328 K HN 0.177 nan 8.250 nan 0.000 0.466 329 V N -3.466 116.457 119.914 0.015 0.000 3.176 329 V HA 0.386 4.505 4.120 -0.001 0.000 0.332 329 V C 1.381 177.479 176.094 0.007 0.000 1.414 329 V CA 0.229 62.537 62.300 0.013 0.000 1.133 329 V CB 0.053 31.887 31.823 0.019 0.000 1.088 329 V HN 0.124 nan 8.190 nan 0.000 0.473 330 A N 2.341 125.158 122.820 -0.004 0.000 1.883 330 A HA -0.189 4.131 4.320 -0.001 0.000 0.222 330 A C 2.159 179.723 177.584 -0.033 0.000 1.339 330 A CA 2.760 54.779 52.037 -0.030 0.000 0.692 330 A CB -1.519 17.459 19.000 -0.036 0.000 0.845 330 A HN 1.132 nan 8.150 nan 0.000 0.467 331 G N -1.267 107.518 108.800 -0.024 0.000 2.956 331 G HA2 0.349 4.308 3.960 -0.001 0.000 0.207 331 G HA3 0.349 4.308 3.960 -0.001 0.000 0.207 331 G C 0.392 175.282 174.900 -0.016 0.000 1.162 331 G CA 0.071 45.156 45.100 -0.025 0.000 0.796 331 G HN 0.481 nan 8.290 nan 0.000 0.527 332 I N 1.585 122.151 120.570 -0.006 0.000 2.312 332 I HA 0.226 4.396 4.170 -0.001 0.000 0.290 332 I C -2.209 173.913 176.117 0.008 0.000 1.008 332 I CA -2.260 59.042 61.300 0.002 0.000 1.226 332 I CB 1.703 39.708 38.000 0.008 0.000 1.371 332 I HN -0.174 nan 8.210 nan 0.000 0.468 333 P HA 0.004 nan 4.420 nan 0.000 0.261 333 P C 0.951 178.264 177.300 0.022 0.000 1.173 333 P CA 0.849 63.952 63.100 0.006 0.000 0.760 333 P CB 0.550 32.250 31.700 0.000 0.000 0.783 334 G N 2.815 111.638 108.800 0.037 0.000 2.241 334 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.244 334 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.244 334 G C 1.107 176.053 174.900 0.077 0.000 0.998 334 G CA -0.084 45.048 45.100 0.053 0.000 0.621 334 G HN 0.502 nan 8.290 nan 0.000 0.519 335 E N -0.282 119.965 120.200 0.077 0.000 2.152 335 E HA 0.066 4.416 4.350 -0.001 0.000 0.192 335 E C 1.966 178.629 176.600 0.105 0.000 0.983 335 E CA 0.821 57.265 56.400 0.073 0.000 0.818 335 E CB -0.191 29.538 29.700 0.050 0.000 0.758 335 E HN 0.630 nan 8.360 nan 0.000 0.467 336 F N 2.853 122.791 119.950 -0.021 0.000 2.065 336 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 336 F C 1.809 177.621 175.800 0.020 0.000 1.112 336 F CA 1.813 59.802 58.000 -0.019 0.000 1.212 336 F CB 0.061 39.024 39.000 -0.062 0.000 0.975 336 F HN -0.105 nan 8.300 nan 0.000 0.476 337 D N 0.364 120.940 120.400 0.294 0.000 2.117 337 D HA -0.173 4.467 4.640 -0.001 0.000 0.197 337 D C 2.161 178.501 176.300 0.066 0.000 0.987 337 D CA 1.388 55.492 54.000 0.174 0.000 0.829 337 D CB -0.306 40.593 40.800 0.165 0.000 0.961 337 D HN 0.340 nan 8.370 nan 0.000 0.460 338 K N 0.125 120.558 120.400 0.056 0.000 2.147 338 K HA -0.047 4.273 4.320 -0.001 0.000 0.205 338 K C 2.228 178.846 176.600 0.030 0.000 1.049 338 K CA 0.480 56.789 56.287 0.037 0.000 0.936 338 K CB -0.069 32.451 32.500 0.033 0.000 0.722 338 K HN 0.141 nan 8.250 nan 0.000 0.446 339 L N 0.348 121.571 121.223 0.001 0.000 2.131 339 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 339 L C 2.382 179.294 176.870 0.069 0.000 1.092 339 L CA 1.263 56.109 54.840 0.011 0.000 0.759 339 L CB -0.248 41.773 42.059 -0.064 0.000 0.903 339 L HN 0.172 nan 8.230 nan 0.000 0.435 340 R N -0.075 120.429 120.500 0.007 0.000 2.075 340 R HA -0.133 4.206 4.340 -0.001 0.000 0.226 340 R C 2.273 178.659 176.300 0.144 0.000 1.114 340 R CA 0.922 57.082 56.100 0.100 0.000 0.972 340 R CB -0.190 30.131 30.300 0.036 0.000 0.869 340 R HN 0.042 nan 8.270 nan 0.000 0.437 341 K N 0.986 121.428 120.400 0.070 0.000 2.147 341 K HA -0.075 4.245 4.320 -0.001 0.000 0.205 341 K C 0.815 177.433 176.600 0.029 0.000 1.049 341 K CA 1.439 57.744 56.287 0.030 0.000 0.936 341 K CB 0.156 32.669 32.500 0.021 0.000 0.722 341 K HN 0.059 nan 8.250 nan 0.000 0.446 342 N N -0.274 118.463 118.700 0.062 0.000 2.235 342 N HA -0.025 4.715 4.740 -0.001 0.000 0.231 342 N C -0.973 174.581 175.510 0.074 0.000 1.177 342 N CA -0.328 52.748 53.050 0.043 0.000 0.874 342 N CB 0.052 38.554 38.487 0.024 0.000 1.097 342 N HN 0.131 nan 8.380 nan 0.000 0.518 343 Y N 1.973 122.276 120.300 0.005 0.000 2.881 343 Y HA -0.090 4.460 4.550 -0.000 0.000 0.335 343 Y C 0.387 176.299 175.900 0.020 0.000 1.263 343 Y CA 0.252 58.379 58.100 0.044 0.000 1.572 343 Y CB 0.164 38.700 38.460 0.128 0.000 1.237 343 Y HN 0.023 nan 8.280 nan 0.000 0.568 344 L N 6.067 126.956 121.223 -0.556 0.000 2.395 344 L HA 0.178 4.518 4.340 -0.001 0.000 0.269 344 L C 0.227 176.785 176.870 -0.521 0.000 1.133 344 L CA -0.760 53.833 54.840 -0.412 0.000 0.812 344 L CB 0.694 42.606 42.059 -0.245 0.000 1.125 344 L HN 0.650 nan 8.230 nan 0.000 0.452 345 E N 2.804 122.886 120.200 -0.198 0.000 2.414 345 E HA 0.241 4.591 4.350 -0.001 0.000 0.263 345 E C -0.471 176.117 176.600 -0.019 0.000 1.000 345 E CA -0.498 55.865 56.400 -0.062 0.000 0.914 345 E CB 0.490 30.178 29.700 -0.018 0.000 0.948 345 E HN 0.494 nan 8.360 nan 0.000 0.444 346 R N 1.549 122.090 120.500 0.067 0.000 2.854 346 R HA 0.531 4.871 4.340 -0.001 0.000 0.271 346 R C -0.629 175.718 176.300 0.077 0.000 0.994 346 R CA -1.131 55.019 56.100 0.083 0.000 0.945 346 R CB 1.290 31.620 30.300 0.050 0.000 1.194 346 R HN 0.353 nan 8.270 nan 0.000 0.476 347 R N 1.190 121.756 120.500 0.109 0.000 2.691 347 R HA 0.342 4.682 4.340 -0.001 0.000 0.259 347 R C -0.336 176.014 176.300 0.084 0.000 1.048 347 R CA -0.777 55.385 56.100 0.104 0.000 1.086 347 R CB 0.739 31.125 30.300 0.143 0.000 1.166 347 R HN 0.717 nan 8.270 nan 0.000 0.526 348 E N 0.071 120.302 120.200 0.052 0.000 2.283 348 E HA 0.111 4.461 4.350 -0.001 0.000 0.267 348 E C 0.438 177.095 176.600 0.094 0.000 1.045 348 E CA -0.558 55.831 56.400 -0.018 0.000 0.884 348 E CB 0.653 30.305 29.700 -0.080 0.000 1.106 348 E HN 0.391 nan 8.360 nan 0.000 0.408 349 W N 0.793 121.974 121.300 -0.199 0.000 2.331 349 W HA -0.182 4.477 4.660 -0.001 0.000 0.291 349 W C 2.264 178.615 176.519 -0.281 0.000 1.214 349 W CA 1.443 58.503 57.345 -0.475 0.000 1.228 349 W CB -1.318 27.382 29.460 -1.266 0.000 1.135 349 W HN 0.524 nan 8.180 nan 0.000 0.537 350 S N -0.123 115.606 115.700 0.049 0.000 2.547 350 S HA -0.124 4.346 4.470 -0.001 0.000 0.235 350 S C 1.725 176.408 174.600 0.138 0.000 0.980 350 S CA 1.153 59.406 58.200 0.088 0.000 0.941 350 S CB -0.783 62.448 63.200 0.052 0.000 0.763 350 S HN 0.218 nan 8.310 nan 0.000 0.532 351 S N 0.140 115.930 115.700 0.150 0.000 2.558 351 S HA 0.275 4.745 4.470 -0.001 0.000 0.217 351 S C 0.210 174.942 174.600 0.220 0.000 0.975 351 S CA -0.521 57.776 58.200 0.161 0.000 0.912 351 S CB -0.449 62.838 63.200 0.145 0.000 0.776 351 S HN 0.457 nan 8.310 nan 0.000 0.526 352 L N 1.906 123.295 121.223 0.276 0.000 2.287 352 L HA 0.541 4.880 4.340 -0.001 0.000 0.287 352 L C -1.065 176.012 176.870 0.345 0.000 1.022 352 L CA -1.142 53.892 54.840 0.325 0.000 0.814 352 L CB 1.104 43.391 42.059 0.379 0.000 1.217 352 L HN 0.302 nan 8.230 nan 0.000 0.420 353 Y N 5.249 125.647 120.300 0.163 0.000 2.383 353 Y HA 0.586 5.136 4.550 0.000 0.000 0.344 353 Y C -0.456 175.505 175.900 0.102 0.000 0.986 353 Y CA -0.162 58.014 58.100 0.128 0.000 1.175 353 Y CB 0.815 39.333 38.460 0.098 0.000 1.152 353 Y HN 0.482 nan 8.280 nan 0.000 0.511 357 D N -0.335 120.124 120.400 0.098 0.000 2.349 357 D HA 0.018 4.658 4.640 -0.001 0.000 0.215 357 D C 0.139 176.580 176.300 0.236 0.000 1.016 357 D CA 0.662 54.747 54.000 0.142 0.000 0.870 357 D CB 0.169 41.026 40.800 0.095 0.000 0.917 357 D HN 0.628 nan 8.370 nan 0.000 0.524 358 D N 0.560 121.035 120.400 0.126 0.000 2.349 358 D HA 0.059 4.699 4.640 -0.001 0.000 0.232 358 D C 0.659 176.888 176.300 -0.118 0.000 1.071 358 D CA -0.283 53.712 54.000 -0.009 0.000 0.832 358 D CB 1.838 42.587 40.800 -0.085 0.000 1.086 358 D HN -0.122 nan 8.370 nan 0.000 0.504 359 E N 2.122 122.067 120.200 -0.425 0.000 2.077 359 E HA -0.202 4.147 4.350 -0.001 0.000 0.193 359 E C 1.776 178.238 176.600 -0.229 0.000 0.989 359 E CA 2.324 58.403 56.400 -0.536 0.000 0.800 359 E CB -0.114 29.180 29.700 -0.676 0.000 0.746 359 E HN 0.626 nan 8.360 nan 0.000 0.452 360 T N -1.708 112.745 114.554 -0.170 0.000 2.720 360 T HA -0.148 4.202 4.350 -0.001 0.000 0.268 360 T C 2.001 176.644 174.700 -0.096 0.000 1.037 360 T CA 1.655 63.689 62.100 -0.111 0.000 1.144 360 T CB -0.683 68.130 68.868 -0.091 0.000 0.864 360 T HN 0.217 nan 8.240 nan 0.000 0.444 361 A N 1.708 124.466 122.820 -0.102 0.000 1.930 361 A HA 0.408 4.727 4.320 -0.001 0.000 0.217 361 A C 2.802 180.329 177.584 -0.095 0.000 1.175 361 A CA 1.737 53.711 52.037 -0.104 0.000 0.627 361 A CB -1.284 17.648 19.000 -0.113 0.000 0.815 361 A HN 0.775 nan 8.150 nan 0.000 0.443 362 A N -0.166 122.609 122.820 -0.075 0.000 1.897 362 A HA 0.263 4.583 4.320 -0.001 0.000 0.215 362 A C 2.499 180.061 177.584 -0.037 0.000 1.181 362 A CA 1.777 53.784 52.037 -0.051 0.000 0.620 362 A CB -0.996 18.001 19.000 -0.005 0.000 0.821 362 A HN 0.966 nan 8.150 nan 0.000 0.443 363 A N -0.364 122.428 122.820 -0.045 0.000 1.883 363 A HA -0.082 4.238 4.320 -0.001 0.000 0.217 363 A C 2.143 179.718 177.584 -0.014 0.000 1.186 363 A CA 1.848 53.869 52.037 -0.028 0.000 0.624 363 A CB -0.686 18.290 19.000 -0.041 0.000 0.822 363 A HN 0.634 nan 8.150 nan 0.000 0.444 364 L N -0.337 120.868 121.223 -0.029 0.000 2.056 364 L HA -0.055 4.285 4.340 -0.001 0.000 0.207 364 L C 2.311 179.182 176.870 0.003 0.000 1.078 364 L CA 1.538 56.368 54.840 -0.017 0.000 0.749 364 L CB -0.529 41.507 42.059 -0.038 0.000 0.901 364 L HN 0.407 nan 8.230 nan 0.000 0.433 365 L N -1.765 119.446 121.223 -0.021 0.000 2.046 365 L HA -0.292 4.048 4.340 -0.001 0.000 0.208 365 L C 2.637 179.599 176.870 0.155 0.000 1.077 365 L CA 1.388 56.250 54.840 0.036 0.000 0.747 365 L CB -0.773 41.229 42.059 -0.095 0.000 0.896 365 L HN 0.365 nan 8.230 nan 0.000 0.432 366 C N 0.032 119.385 119.300 0.088 0.000 2.413 366 C HA -0.195 4.265 4.460 -0.001 0.000 0.276 366 C C 2.759 177.802 174.990 0.089 0.000 1.236 366 C CA 0.938 60.011 59.018 0.091 0.000 1.735 366 C CB -0.717 27.054 27.740 0.051 0.000 2.031 366 C HN 0.417 nan 8.230 nan 0.000 0.474 367 K N 0.225 120.667 120.400 0.070 0.000 2.283 367 K HA -0.004 4.315 4.320 -0.001 0.000 0.202 367 K C 1.517 178.170 176.600 0.088 0.000 1.048 367 K CA 0.900 57.226 56.287 0.066 0.000 0.948 367 K CB -0.114 32.415 32.500 0.049 0.000 0.742 367 K HN 0.532 nan 8.250 nan 0.000 0.458 368 L N -0.995 120.302 121.223 0.125 0.000 2.509 368 L HA 0.103 4.443 4.340 -0.001 0.000 0.222 368 L C 1.133 178.140 176.870 0.229 0.000 1.123 368 L CA 0.450 55.393 54.840 0.171 0.000 0.856 368 L CB 0.244 42.421 42.059 0.197 0.000 0.985 368 L HN 0.424 nan 8.230 nan 0.000 0.456 369 G N -0.722 108.181 108.800 0.171 0.000 2.163 369 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.213 369 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.213 369 G C 0.089 175.016 174.900 0.044 0.000 0.991 369 G CA -0.641 44.514 45.100 0.091 0.000 0.653 369 G HN 0.093 nan 8.290 nan 0.000 0.518 370 F N 0.696 120.747 119.950 0.169 0.000 2.406 370 F HA 0.490 5.017 4.527 -0.001 0.000 0.327 370 F C 1.012 176.853 175.800 0.068 0.000 1.153 370 F CA -0.451 57.614 58.000 0.108 0.000 1.218 370 F CB 0.641 39.630 39.000 -0.019 0.000 1.215 370 F HN 0.022 nan 8.300 nan 0.000 0.570 371 N N 1.905 120.760 118.700 0.258 0.000 2.807 371 N HA 0.354 5.094 4.740 -0.001 0.000 0.259 371 N C -1.059 174.452 175.510 0.000 0.000 1.149 371 N CA -0.072 53.077 53.050 0.164 0.000 1.042 371 N CB -0.137 38.504 38.487 0.255 0.000 1.367 371 N HN 0.620 nan 8.380 nan 0.000 0.516 372 A N 1.572 124.382 122.820 -0.016 0.000 2.325 372 A HA 0.739 5.059 4.320 -0.001 0.000 0.333 372 A C -0.312 177.179 177.584 -0.155 0.000 1.155 372 A CA -0.593 51.361 52.037 -0.138 0.000 0.814 372 A CB 1.071 20.029 19.000 -0.070 0.000 1.206 372 A HN 0.431 nan 8.150 nan 0.000 0.482 373 V N -0.477 119.310 119.914 -0.211 0.000 3.078 373 V HA 0.561 4.681 4.120 -0.001 0.000 0.311 373 V C -0.445 175.650 176.094 0.001 0.000 1.138 373 V CA -0.761 61.481 62.300 -0.096 0.000 1.007 373 V CB 1.670 33.425 31.823 -0.115 0.000 1.045 373 V HN 1.037 nan 8.190 nan 0.000 0.432 374 H N 1.892 120.931 119.070 -0.051 0.000 2.552 374 H HA 0.466 5.022 4.556 -0.000 0.000 0.311 374 H C -1.221 174.113 175.328 0.010 0.000 1.071 374 H CA -0.318 55.721 56.048 -0.016 0.000 1.307 374 H CB 0.908 30.660 29.762 -0.018 0.000 1.416 374 H HN 1.002 nan 8.280 nan 0.000 0.464 375 H N 6.931 125.754 119.070 -0.410 0.000 2.640 375 H HA 0.233 4.788 4.556 -0.001 0.000 0.297 375 H C -1.958 173.013 175.328 -0.594 0.000 1.073 375 H CA -1.694 54.129 56.048 -0.375 0.000 1.305 375 H CB 0.864 30.531 29.762 -0.159 0.000 1.404 375 H HN 0.588 nan 8.280 nan 0.000 0.459 376 P HA 0.000 nan 4.420 nan 0.000 0.216 376 P CA 0.000 62.977 63.100 -0.205 0.000 0.800 376 P CB 0.000 31.653 31.700 -0.079 0.000 0.726