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 1qlu_1_B DATA FIRST_RESID 6 DATA SEQUENCE EFRPLTLPPK LSLSDFNEFI QDIIRIVGSE NVEVISXXXX XVDGSYMKPT DATA SEQUENCE HTHDPHHVMD QDYFLASAIV APRNVADVQS IVGLANKFSF PLWPISIGRN DATA SEQUENCE SGYGGAAPRV SGSVVLDMGK NMNRVLEVNV EGAYCVVEPG VTYHDLHNYL DATA SEQUENCE EANNLRDKLW LDVPDLGGGS VLGNAVERGV GYTPYGDHWM MHSGMEVVLA DATA SEQUENCE NGELLRTGMG ALPDPKRPET MGLKPEDQPW SKIAHLFPYG FGPYIDGLFS DATA SEQUENCE QSNMGIVTKI GIWLMPNPGG YQSYLITLPK DGDLKQAVDI IRPLRLGMAL DATA SEQUENCE QNVPTIRHIL LDAAVLGDKR SYSSRTEPLS DEELDKIAKQ LNLGRWNFYG DATA SEQUENCE ALYGPEPIRR VLWETIKDAF SAIPGVKFYF PEDTPENSVL RVRDKTMQGI DATA SEQUENCE PTYDELKWID WLPNGAALFF SPIAKVSGED AMMQYAVTKK RCQEAGLDFI DATA SEQUENCE GTFTVGMREM HHIVCIVFNK KDLIQKRKVQ WLMRTLIDDC AANGWGEYRT DATA SEQUENCE HLAFMDQIME TYNWNNSSFL RFNEVLKNAV DPNGIIAPGK SGVWPSQYSH DATA SEQUENCE VTWKL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.513 176.600 -0.145 0.000 1.382 6 E CA 0.000 56.178 56.400 -0.371 0.000 0.976 6 E CB 0.000 29.689 29.700 -0.018 0.000 0.812 7 F N 0.098 120.144 119.950 0.160 0.000 2.274 7 F HA 0.385 4.911 4.527 -0.001 0.000 0.288 7 F C 1.282 177.175 175.800 0.154 0.000 1.069 7 F CA 0.360 58.458 58.000 0.164 0.000 1.343 7 F CB 0.261 39.316 39.000 0.092 0.000 1.089 7 F HN 0.380 nan 8.300 nan 0.000 0.517 8 R N 1.386 122.084 120.500 0.330 0.000 2.521 8 R HA 0.373 4.713 4.340 -0.001 0.000 0.295 8 R C -2.941 173.358 176.300 -0.001 0.000 1.183 8 R CA -1.885 54.276 56.100 0.103 0.000 0.957 8 R CB 0.983 31.325 30.300 0.070 0.000 1.171 8 R HN -0.074 nan 8.270 nan 0.000 0.494 9 P HA 0.127 nan 4.420 nan 0.000 0.277 9 P C 0.503 177.722 177.300 -0.134 0.000 1.240 9 P CA -0.533 62.454 63.100 -0.188 0.000 0.798 9 P CB 1.107 32.522 31.700 -0.476 0.000 0.979 10 L N 0.116 121.298 121.223 -0.070 0.000 2.083 10 L HA -0.057 4.282 4.340 -0.001 0.000 0.209 10 L C 0.887 177.714 176.870 -0.071 0.000 1.083 10 L CA 1.665 56.472 54.840 -0.055 0.000 0.752 10 L CB -0.638 41.403 42.059 -0.030 0.000 0.899 10 L HN 0.442 nan 8.230 nan 0.000 0.433 11 T N 0.056 114.561 114.554 -0.081 0.000 2.921 11 T HA 0.568 4.918 4.350 -0.001 0.000 0.297 11 T C -0.566 174.064 174.700 -0.117 0.000 1.013 11 T CA -0.513 61.542 62.100 -0.075 0.000 0.990 11 T CB 2.363 71.215 68.868 -0.028 0.000 1.023 11 T HN -0.132 nan 8.240 nan 0.000 0.447 12 L N 4.478 125.623 121.223 -0.131 0.000 2.322 12 L HA 0.529 4.868 4.340 -0.001 0.000 0.279 12 L C -1.924 174.890 176.870 -0.093 0.000 1.036 12 L CA -2.393 52.345 54.840 -0.171 0.000 0.807 12 L CB 1.154 43.099 42.059 -0.190 0.000 1.226 12 L HN 0.366 nan 8.230 nan 0.000 0.433 13 P HA 0.105 nan 4.420 nan 0.000 0.270 13 P C -2.612 174.645 177.300 -0.071 0.000 1.227 13 P CA -1.182 61.849 63.100 -0.115 0.000 0.788 13 P CB -0.586 30.868 31.700 -0.411 0.000 0.926 14 P HA -0.011 nan 4.420 nan 0.000 0.264 14 P C 0.161 177.439 177.300 -0.038 0.000 1.183 14 P CA 0.541 63.684 63.100 0.072 0.000 0.763 14 P CB -0.109 31.674 31.700 0.138 0.000 0.807 15 K N -1.259 119.124 120.400 -0.028 0.000 3.349 15 K HA -0.224 4.096 4.320 -0.001 0.000 0.310 15 K C 0.081 176.652 176.600 -0.048 0.000 1.267 15 K CA 0.563 56.826 56.287 -0.041 0.000 0.920 15 K CB -1.641 30.829 32.500 -0.050 0.000 1.240 15 K HN 0.254 nan 8.250 nan 0.000 0.453 16 L N 1.005 122.180 121.223 -0.081 0.000 2.309 16 L HA 0.337 4.677 4.340 -0.001 0.000 0.282 16 L C 0.463 177.311 176.870 -0.037 0.000 1.036 16 L CA 0.031 54.820 54.840 -0.085 0.000 0.806 16 L CB 1.530 43.440 42.059 -0.249 0.000 1.220 16 L HN 0.197 nan 8.230 nan 0.000 0.429 17 S N 3.619 119.331 115.700 0.021 0.000 2.669 17 S HA 0.239 4.709 4.470 -0.001 0.000 0.270 17 S C 0.866 175.511 174.600 0.074 0.000 1.225 17 S CA -0.580 57.643 58.200 0.039 0.000 0.991 17 S CB 0.971 64.208 63.200 0.061 0.000 0.987 17 S HN 0.699 nan 8.310 nan 0.000 0.552 18 L N 1.645 122.908 121.223 0.067 0.000 2.141 18 L HA 0.047 4.386 4.340 -0.001 0.000 0.209 18 L C 2.560 179.541 176.870 0.184 0.000 1.094 18 L CA 1.926 56.828 54.840 0.104 0.000 0.763 18 L CB -1.179 40.915 42.059 0.058 0.000 0.908 18 L HN 0.923 nan 8.230 nan 0.000 0.437 19 S N -1.049 114.739 115.700 0.148 0.000 2.371 19 S HA -0.142 4.328 4.470 -0.001 0.000 0.224 19 S C 1.640 176.349 174.600 0.180 0.000 1.029 19 S CA 1.163 59.455 58.200 0.154 0.000 0.978 19 S CB -0.239 63.035 63.200 0.123 0.000 0.833 19 S HN 0.532 nan 8.310 nan 0.000 0.466 20 D N 0.522 121.041 120.400 0.198 0.000 2.097 20 D HA -0.084 4.556 4.640 -0.001 0.000 0.195 20 D C 1.586 177.950 176.300 0.108 0.000 0.989 20 D CA 0.907 55.054 54.000 0.244 0.000 0.827 20 D CB -0.535 40.461 40.800 0.326 0.000 0.966 20 D HN 0.461 nan 8.370 nan 0.000 0.456 21 F N 2.011 121.974 119.950 0.020 0.000 2.065 21 F HA -0.232 4.294 4.527 -0.001 0.000 0.298 21 F C 2.042 177.911 175.800 0.115 0.000 1.112 21 F CA 1.477 59.520 58.000 0.073 0.000 1.212 21 F CB -0.200 38.842 39.000 0.069 0.000 0.975 21 F HN -0.109 nan 8.300 nan 0.000 0.476 22 N N 0.308 119.166 118.700 0.263 0.000 2.120 22 N HA -0.234 4.506 4.740 -0.001 0.000 0.188 22 N C 1.984 177.493 175.510 -0.002 0.000 1.024 22 N CA 1.565 54.692 53.050 0.128 0.000 0.852 22 N CB -0.472 38.129 38.487 0.190 0.000 1.003 22 N HN 0.541 nan 8.380 nan 0.000 0.424 23 E N 0.273 120.487 120.200 0.023 0.000 2.058 23 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 23 E C 1.945 178.457 176.600 -0.146 0.000 0.997 23 E CA 0.951 57.353 56.400 0.003 0.000 0.801 23 E CB -0.200 29.590 29.700 0.150 0.000 0.746 23 E HN 0.271 nan 8.360 nan 0.000 0.450 24 F N 0.921 120.519 119.950 -0.587 0.000 2.069 24 F HA -0.209 4.317 4.527 -0.001 0.000 0.298 24 F C 2.081 177.583 175.800 -0.497 0.000 1.113 24 F CA 1.525 59.067 58.000 -0.764 0.000 1.214 24 F CB -0.278 38.186 39.000 -0.893 0.000 0.978 24 F HN 0.032 nan 8.300 nan 0.000 0.474 25 I N 0.323 120.712 120.570 -0.301 0.000 2.394 25 I HA -0.242 3.928 4.170 -0.001 0.000 0.251 25 I C 2.245 178.175 176.117 -0.310 0.000 1.136 25 I CA 0.958 62.024 61.300 -0.391 0.000 1.425 25 I CB -0.501 37.226 38.000 -0.456 0.000 1.079 25 I HN 0.203 nan 8.210 nan 0.000 0.425 26 Q N 0.072 119.736 119.800 -0.228 0.000 2.167 26 Q HA -0.181 4.159 4.340 -0.001 0.000 0.202 26 Q C 1.769 177.660 176.000 -0.182 0.000 0.970 26 Q CA 1.285 56.986 55.803 -0.169 0.000 0.855 26 Q CB -0.363 28.313 28.738 -0.103 0.000 0.911 26 Q HN 0.484 nan 8.270 nan 0.000 0.438 27 D N 0.014 120.277 120.400 -0.228 0.000 2.117 27 D HA -0.073 4.566 4.640 -0.001 0.000 0.198 27 D C 1.981 178.121 176.300 -0.267 0.000 0.982 27 D CA 0.704 54.577 54.000 -0.212 0.000 0.828 27 D CB 0.008 40.699 40.800 -0.181 0.000 0.967 27 D HN 0.261 nan 8.370 nan 0.000 0.464 28 I N 0.624 120.951 120.570 -0.406 0.000 2.252 28 I HA -0.191 3.978 4.170 -0.001 0.000 0.245 28 I C 2.433 178.402 176.117 -0.247 0.000 1.102 28 I CA 0.577 61.648 61.300 -0.382 0.000 1.385 28 I CB -0.145 37.531 38.000 -0.541 0.000 1.064 28 I HN -0.048 nan 8.210 nan 0.000 0.414 29 I N 0.981 121.418 120.570 -0.222 0.000 2.208 29 I HA -0.311 3.859 4.170 -0.001 0.000 0.245 29 I C 2.709 178.752 176.117 -0.123 0.000 1.097 29 I CA 1.570 62.776 61.300 -0.156 0.000 1.363 29 I CB -0.309 37.605 38.000 -0.144 0.000 1.051 29 I HN 0.212 nan 8.210 nan 0.000 0.413 30 R N 0.457 120.884 120.500 -0.121 0.000 2.115 30 R HA -0.087 4.252 4.340 -0.001 0.000 0.230 30 R C 2.189 178.435 176.300 -0.090 0.000 1.111 30 R CA 1.208 57.254 56.100 -0.091 0.000 0.976 30 R CB -0.400 29.854 30.300 -0.077 0.000 0.870 30 R HN 0.367 nan 8.270 nan 0.000 0.445 31 I N 0.584 121.086 120.570 -0.113 0.000 2.277 31 I HA -0.171 3.999 4.170 -0.001 0.000 0.243 31 I C 2.118 178.180 176.117 -0.091 0.000 1.094 31 I CA 1.084 62.323 61.300 -0.101 0.000 1.393 31 I CB 0.033 37.961 38.000 -0.120 0.000 1.078 31 I HN 0.061 nan 8.210 nan 0.000 0.417 32 V N -2.138 117.713 119.914 -0.104 0.000 3.661 32 V HA 0.586 4.706 4.120 -0.001 0.000 0.271 32 V C 0.757 176.807 176.094 -0.073 0.000 1.315 32 V CA 0.175 62.422 62.300 -0.087 0.000 1.072 32 V CB -0.556 31.208 31.823 -0.098 0.000 0.830 32 V HN 0.465 nan 8.190 nan 0.000 0.443 33 G N 0.995 109.748 108.800 -0.077 0.000 2.675 33 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.686 33 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.686 33 G C 0.313 175.173 174.900 -0.066 0.000 1.215 33 G CA 0.088 45.150 45.100 -0.063 0.000 0.777 33 G HN 1.147 nan 8.290 nan 0.000 0.638 34 S N -0.329 115.337 115.700 -0.058 0.000 2.447 34 S HA -0.044 4.426 4.470 -0.001 0.000 0.233 34 S C 1.571 176.148 174.600 -0.039 0.000 1.006 34 S CA 1.724 59.891 58.200 -0.055 0.000 0.957 34 S CB 0.027 63.197 63.200 -0.050 0.000 0.773 34 S HN 0.656 nan 8.310 nan 0.000 0.507 35 E N 1.932 122.113 120.200 -0.032 0.000 2.347 35 E HA 0.089 4.439 4.350 -0.001 0.000 0.196 35 E C 0.700 177.287 176.600 -0.022 0.000 1.008 35 E CA 0.374 56.762 56.400 -0.020 0.000 0.852 35 E CB -0.342 29.349 29.700 -0.016 0.000 0.783 35 E HN 0.532 nan 8.360 nan 0.000 0.505 36 N N 0.242 118.919 118.700 -0.037 0.000 2.235 36 N HA 0.063 4.802 4.740 -0.001 0.000 0.209 36 N C -0.553 174.926 175.510 -0.051 0.000 1.122 36 N CA 0.101 53.125 53.050 -0.043 0.000 0.845 36 N CB 1.544 39.999 38.487 -0.054 0.000 1.004 36 N HN -0.104 nan 8.380 nan 0.000 0.499 37 V N 0.537 120.422 119.914 -0.048 0.000 2.656 37 V HA 0.386 4.505 4.120 -0.001 0.000 0.307 37 V C -0.233 175.854 176.094 -0.012 0.000 1.051 37 V CA -0.850 61.420 62.300 -0.050 0.000 0.893 37 V CB 2.991 34.760 31.823 -0.090 0.000 0.999 37 V HN -0.013 nan 8.190 nan 0.000 0.426 38 E N 2.931 123.144 120.200 0.023 0.000 2.260 38 E HA 0.551 4.901 4.350 -0.001 0.000 0.266 38 E C -1.748 174.914 176.600 0.103 0.000 0.887 38 E CA -0.452 55.983 56.400 0.057 0.000 0.777 38 E CB 2.385 32.130 29.700 0.074 0.000 1.205 38 E HN 0.479 nan 8.360 nan 0.000 0.414 39 V N 5.092 125.079 119.914 0.121 0.000 2.546 39 V HA 0.219 4.338 4.120 -0.001 0.000 0.284 39 V C 0.220 176.410 176.094 0.160 0.000 1.050 39 V CA -0.642 61.778 62.300 0.201 0.000 0.981 39 V CB 1.159 33.133 31.823 0.252 0.000 0.990 39 V HN 0.608 nan 8.190 nan 0.000 0.474 40 I N 4.269 124.933 120.570 0.157 0.000 2.269 40 I HA 0.319 4.488 4.170 -0.001 0.000 0.293 40 I C 0.653 176.815 176.117 0.074 0.000 1.106 40 I CA 0.622 61.985 61.300 0.105 0.000 1.248 40 I CB -0.028 38.032 38.000 0.100 0.000 1.444 40 I HN 0.570 nan 8.210 nan 0.000 0.497 48 D N 2.711 123.262 120.400 0.251 0.000 2.218 48 D HA 0.159 4.798 4.640 -0.001 0.000 0.204 48 D C 1.514 177.863 176.300 0.080 0.000 0.976 48 D CA 2.152 56.305 54.000 0.255 0.000 0.853 48 D CB 0.146 41.057 40.800 0.185 0.000 0.939 48 D HN 1.225 nan 8.370 nan 0.000 0.481 49 G N 0.120 108.952 108.800 0.054 0.000 2.569 49 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.259 49 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.259 49 G C 0.054 174.943 174.900 -0.019 0.000 1.263 49 G CA 0.395 45.499 45.100 0.007 0.000 0.928 49 G HN 0.659 nan 8.290 nan 0.000 0.572 50 S N -2.379 113.305 115.700 -0.026 0.000 2.740 50 S HA 0.643 5.113 4.470 -0.001 0.000 0.300 50 S C 0.490 175.103 174.600 0.021 0.000 1.147 50 S CA 0.375 58.573 58.200 -0.003 0.000 0.871 50 S CB 1.694 64.894 63.200 0.000 0.000 1.173 50 S HN 1.639 nan 8.310 nan 0.000 0.510 51 Y N 0.794 121.067 120.300 -0.046 0.000 2.314 51 Y HA 0.011 4.560 4.550 -0.001 0.000 0.293 51 Y C 2.242 178.120 175.900 -0.036 0.000 1.129 51 Y CA 1.755 59.846 58.100 -0.015 0.000 1.201 51 Y CB -0.432 38.030 38.460 0.003 0.000 0.999 51 Y HN 0.607 nan 8.280 nan 0.000 0.541 52 M N 0.018 119.628 119.600 0.016 0.000 2.086 52 M HA -0.165 4.314 4.480 -0.001 0.000 0.261 52 M C 0.264 176.495 176.300 -0.115 0.000 1.067 52 M CA 1.719 56.975 55.300 -0.073 0.000 1.116 52 M CB -0.108 32.466 32.600 -0.044 0.000 1.348 52 M HN -0.091 nan 8.290 nan 0.000 0.407 53 K N 1.166 121.509 120.400 -0.095 0.000 2.679 53 K HA 0.377 4.696 4.320 -0.001 0.000 0.188 53 K C -2.600 173.914 176.600 -0.144 0.000 1.055 53 K CA -1.521 54.703 56.287 -0.105 0.000 1.006 53 K CB 0.572 33.031 32.500 -0.068 0.000 1.317 53 K HN 0.070 nan 8.250 nan 0.000 0.584 54 P HA -0.072 nan 4.420 nan 0.000 0.267 54 P C 0.293 177.387 177.300 -0.342 0.000 1.200 54 P CA 0.138 63.110 63.100 -0.214 0.000 0.772 54 P CB 0.653 32.240 31.700 -0.188 0.000 0.855 55 T N 0.989 115.412 114.554 -0.218 0.000 2.882 55 T HA 0.155 4.505 4.350 -0.001 0.000 0.287 55 T C 0.277 174.857 174.700 -0.200 0.000 1.014 55 T CA -0.068 61.928 62.100 -0.173 0.000 1.049 55 T CB -0.106 68.769 68.868 0.012 0.000 1.001 55 T HN 0.440 nan 8.240 nan 0.000 0.525 56 H N 0.776 119.907 119.070 0.101 0.000 2.575 56 H HA 0.247 4.803 4.556 -0.001 0.000 0.256 56 H C 1.369 176.782 175.328 0.142 0.000 1.162 56 H CA 0.068 56.180 56.048 0.107 0.000 0.969 56 H CB 0.646 30.464 29.762 0.092 0.000 1.796 56 H HN 0.708 nan 8.280 nan 0.000 0.607 57 T N -2.703 112.023 114.554 0.287 0.000 2.964 57 T HA 0.054 4.404 4.350 -0.001 0.000 0.249 57 T C 0.606 175.506 174.700 0.333 0.000 1.000 57 T CA 0.072 62.346 62.100 0.290 0.000 0.992 57 T CB 0.582 69.616 68.868 0.277 0.000 1.087 57 T HN 0.447 nan 8.240 nan 0.000 0.489 58 H N -0.355 118.792 119.070 0.128 0.000 2.902 58 H HA 0.532 5.087 4.556 -0.001 0.000 0.297 58 H C -2.177 173.261 175.328 0.184 0.000 1.406 58 H CA -0.782 55.358 56.048 0.154 0.000 1.134 58 H CB 0.781 30.632 29.762 0.149 0.000 1.833 58 H HN 0.054 nan 8.280 nan 0.000 0.527 59 D N 2.068 122.456 120.400 -0.019 0.000 2.336 59 D HA 0.193 4.833 4.640 -0.001 0.000 0.249 59 D C -1.519 174.776 176.300 -0.008 0.000 1.213 59 D CA -2.227 51.807 54.000 0.058 0.000 0.870 59 D CB 1.273 42.293 40.800 0.367 0.000 1.076 59 D HN 0.234 nan 8.370 nan 0.000 0.483 60 P HA -0.069 nan 4.420 nan 0.000 0.231 60 P C 0.088 177.227 177.300 -0.268 0.000 1.168 60 P CA 0.725 63.729 63.100 -0.159 0.000 0.779 60 P CB 0.298 31.845 31.700 -0.255 0.000 0.844 61 H N -0.374 118.685 119.070 -0.019 0.000 2.507 61 H HA 0.121 4.676 4.556 -0.001 0.000 0.281 61 H C 0.133 175.542 175.328 0.134 0.000 1.160 61 H CA -0.534 55.466 56.048 -0.081 0.000 0.981 61 H CB -0.872 28.873 29.762 -0.028 0.000 1.665 61 H HN 0.415 nan 8.280 nan 0.000 0.554 62 H N -0.679 118.617 119.070 0.377 0.000 3.187 62 H HA 0.041 4.596 4.556 -0.001 0.000 0.286 62 H C 1.394 176.988 175.328 0.445 0.000 0.944 62 H CA -0.018 56.279 56.048 0.414 0.000 1.429 62 H CB 0.446 30.413 29.762 0.342 0.000 1.483 62 H HN 0.123 nan 8.280 nan 0.000 0.555 63 V N 0.751 120.924 119.914 0.432 0.000 2.599 63 V HA 0.008 4.128 4.120 -0.001 0.000 0.245 63 V C 1.073 177.225 176.094 0.097 0.000 1.046 63 V CA 0.317 62.701 62.300 0.140 0.000 1.065 63 V CB -0.183 31.633 31.823 -0.012 0.000 0.703 63 V HN 0.552 nan 8.190 nan 0.000 0.464 64 M N 0.943 120.619 119.600 0.127 0.000 1.960 64 M HA 0.388 4.868 4.480 -0.001 0.000 0.229 64 M C -0.077 176.254 176.300 0.052 0.000 1.234 64 M CA -0.438 54.831 55.300 -0.053 0.000 0.952 64 M CB -0.479 31.924 32.600 -0.328 0.000 1.294 64 M HN 0.215 nan 8.290 nan 0.000 0.514 65 D N 1.363 121.737 120.400 -0.044 0.000 2.443 65 D HA -0.037 4.603 4.640 -0.001 0.000 0.239 65 D C 0.967 177.283 176.300 0.028 0.000 1.136 65 D CA 0.156 54.155 54.000 -0.001 0.000 0.879 65 D CB 0.671 41.464 40.800 -0.012 0.000 1.195 65 D HN 0.515 nan 8.370 nan 0.000 0.443 66 Q N 1.419 121.110 119.800 -0.181 0.000 2.142 66 Q HA -0.262 4.077 4.340 -0.001 0.000 0.213 66 Q C 0.820 176.862 176.000 0.069 0.000 1.004 66 Q CA 2.001 57.653 55.803 -0.251 0.000 0.883 66 Q CB 0.127 28.584 28.738 -0.467 0.000 0.939 66 Q HN 0.547 nan 8.270 nan 0.000 0.413 67 D N -1.091 119.317 120.400 0.014 0.000 2.336 67 D HA -0.100 4.540 4.640 -0.001 0.000 0.228 67 D C 1.049 177.390 176.300 0.067 0.000 1.120 67 D CA -0.142 53.878 54.000 0.034 0.000 0.839 67 D CB -0.355 40.427 40.800 -0.030 0.000 0.932 67 D HN 0.380 nan 8.370 nan 0.000 0.509 68 Y N 0.731 121.001 120.300 -0.050 0.000 2.220 68 Y HA 0.119 4.668 4.550 -0.001 0.000 0.291 68 Y C 0.000 175.743 175.900 -0.262 0.000 1.129 68 Y CA 0.737 58.704 58.100 -0.222 0.000 1.161 68 Y CB 0.049 38.287 38.460 -0.370 0.000 0.997 68 Y HN -0.185 nan 8.280 nan 0.000 0.522 69 F N 1.323 121.329 119.950 0.094 0.000 2.332 69 F HA 0.431 4.957 4.527 -0.001 0.000 0.368 69 F C -0.829 174.986 175.800 0.025 0.000 1.110 69 F CA -0.973 57.017 58.000 -0.016 0.000 1.087 69 F CB 1.112 40.134 39.000 0.036 0.000 1.235 69 F HN -0.219 nan 8.300 nan 0.000 0.470 70 L N 3.112 124.417 121.223 0.137 0.000 2.436 70 L HA 0.864 5.204 4.340 -0.001 0.000 0.268 70 L C -0.341 176.595 176.870 0.109 0.000 0.974 70 L CA -0.637 54.278 54.840 0.125 0.000 0.826 70 L CB 1.524 43.626 42.059 0.071 0.000 1.291 70 L HN 0.562 nan 8.230 nan 0.000 0.406 71 A N 2.403 125.304 122.820 0.134 0.000 2.346 71 A HA 0.490 4.810 4.320 -0.001 0.000 0.252 71 A C 0.967 178.651 177.584 0.167 0.000 1.089 71 A CA 0.411 52.541 52.037 0.155 0.000 0.797 71 A CB 0.259 19.363 19.000 0.173 0.000 1.047 71 A HN 1.029 nan 8.150 nan 0.000 0.494 72 S N -0.353 115.486 115.700 0.232 0.000 2.492 72 S HA 0.538 5.008 4.470 -0.001 0.000 0.218 72 S C 0.519 175.319 174.600 0.333 0.000 1.016 72 S CA 0.556 58.901 58.200 0.241 0.000 0.916 72 S CB -0.151 63.245 63.200 0.327 0.000 0.791 72 S HN 2.059 nan 8.310 nan 0.000 0.513 73 A N 0.307 123.311 122.820 0.308 0.000 2.608 73 A HA 0.722 5.041 4.320 -0.001 0.000 0.292 73 A C -1.695 175.986 177.584 0.162 0.000 1.066 73 A CA -0.838 51.349 52.037 0.249 0.000 0.676 73 A CB 0.672 19.827 19.000 0.259 0.000 1.277 73 A HN 0.297 nan 8.150 nan 0.000 0.413 74 I N 1.021 121.659 120.570 0.114 0.000 2.433 74 I HA 0.548 4.717 4.170 -0.001 0.000 0.292 74 I C -0.833 175.293 176.117 0.014 0.000 1.001 74 I CA -0.926 60.420 61.300 0.076 0.000 1.119 74 I CB 1.950 40.010 38.000 0.100 0.000 1.289 74 I HN 0.354 nan 8.210 nan 0.000 0.438 75 V N 5.306 125.207 119.914 -0.021 0.000 2.540 75 V HA 0.646 4.765 4.120 -0.001 0.000 0.302 75 V C -0.072 175.976 176.094 -0.077 0.000 1.035 75 V CA -0.580 61.682 62.300 -0.063 0.000 0.873 75 V CB 1.874 33.636 31.823 -0.102 0.000 0.992 75 V HN 0.797 nan 8.190 nan 0.000 0.428 76 A N 7.271 130.044 122.820 -0.078 0.000 2.394 76 A HA 0.800 5.120 4.320 -0.001 0.000 0.333 76 A C -2.634 174.905 177.584 -0.075 0.000 1.397 76 A CA -1.687 50.302 52.037 -0.080 0.000 0.884 76 A CB 0.423 19.382 19.000 -0.069 0.000 1.147 76 A HN 0.583 nan 8.150 nan 0.000 0.505 77 P HA 0.115 nan 4.420 nan 0.000 0.267 77 P C 0.507 177.771 177.300 -0.060 0.000 1.200 77 P CA 0.058 63.115 63.100 -0.073 0.000 0.772 77 P CB 0.743 32.400 31.700 -0.071 0.000 0.855 78 R N 1.446 121.913 120.500 -0.055 0.000 2.127 78 R HA 0.086 4.425 4.340 -0.001 0.000 0.217 78 R C 1.079 177.356 176.300 -0.038 0.000 1.074 78 R CA 0.906 56.980 56.100 -0.043 0.000 0.991 78 R CB -0.034 30.242 30.300 -0.041 0.000 0.895 78 R HN 0.726 nan 8.270 nan 0.000 0.450 79 N N -3.460 115.215 118.700 -0.042 0.000 3.308 79 N HA 0.021 4.761 4.740 -0.001 0.000 0.276 79 N C 0.212 175.696 175.510 -0.042 0.000 1.533 79 N CA -0.649 52.379 53.050 -0.036 0.000 0.878 79 N CB 0.989 39.458 38.487 -0.031 0.000 1.566 79 N HN -0.334 nan 8.380 nan 0.000 0.546 80 V N 0.415 120.305 119.914 -0.039 0.000 2.343 80 V HA -0.219 3.901 4.120 -0.001 0.000 0.247 80 V C 2.756 178.821 176.094 -0.048 0.000 1.051 80 V CA 2.684 64.956 62.300 -0.046 0.000 1.036 80 V CB -1.343 30.453 31.823 -0.046 0.000 0.654 80 V HN 0.827 nan 8.190 nan 0.000 0.451 81 A N 0.021 122.814 122.820 -0.045 0.000 1.917 81 A HA -0.305 4.015 4.320 -0.001 0.000 0.219 81 A C 1.957 179.511 177.584 -0.050 0.000 1.182 81 A CA 2.308 54.318 52.037 -0.045 0.000 0.633 81 A CB -0.684 18.291 19.000 -0.040 0.000 0.819 81 A HN 0.555 nan 8.150 nan 0.000 0.448 82 D N -0.476 119.891 120.400 -0.055 0.000 2.144 82 D HA -0.078 4.562 4.640 -0.001 0.000 0.200 82 D C 2.018 178.276 176.300 -0.070 0.000 0.978 82 D CA 1.314 55.274 54.000 -0.066 0.000 0.833 82 D CB -0.384 40.374 40.800 -0.070 0.000 0.961 82 D HN 0.246 nan 8.370 nan 0.000 0.470 83 V N 0.884 120.760 119.914 -0.063 0.000 2.407 83 V HA -0.246 3.874 4.120 -0.001 0.000 0.248 83 V C 2.404 178.467 176.094 -0.051 0.000 1.055 83 V CA 1.478 63.742 62.300 -0.061 0.000 1.049 83 V CB -0.562 31.225 31.823 -0.061 0.000 0.662 83 V HN 0.218 nan 8.190 nan 0.000 0.455 84 Q N -0.004 119.768 119.800 -0.048 0.000 2.096 84 Q HA -0.181 4.159 4.340 -0.001 0.000 0.204 84 Q C 2.523 178.504 176.000 -0.032 0.000 0.982 84 Q CA 1.998 57.778 55.803 -0.038 0.000 0.850 84 Q CB -0.278 28.437 28.738 -0.038 0.000 0.901 84 Q HN 0.623 nan 8.270 nan 0.000 0.422 85 S N 0.740 116.414 115.700 -0.044 0.000 2.368 85 S HA -0.093 4.376 4.470 -0.001 0.000 0.224 85 S C 1.975 176.540 174.600 -0.058 0.000 1.029 85 S CA 0.860 59.031 58.200 -0.048 0.000 0.988 85 S CB -0.167 62.994 63.200 -0.065 0.000 0.838 85 S HN 0.257 nan 8.310 nan 0.000 0.462 86 I N 1.247 121.770 120.570 -0.078 0.000 2.179 86 I HA -0.159 4.011 4.170 -0.001 0.000 0.242 86 I C 2.213 178.322 176.117 -0.012 0.000 1.088 86 I CA 0.898 62.141 61.300 -0.096 0.000 1.357 86 I CB -0.509 37.423 38.000 -0.113 0.000 1.051 86 I HN 0.119 nan 8.210 nan 0.000 0.409 87 V N 1.109 121.024 119.914 0.003 0.000 2.324 87 V HA -0.281 3.839 4.120 -0.001 0.000 0.250 87 V C 2.569 178.704 176.094 0.068 0.000 1.060 87 V CA 2.260 64.585 62.300 0.040 0.000 1.042 87 V CB -1.537 30.294 31.823 0.013 0.000 0.650 87 V HN 0.618 nan 8.190 nan 0.000 0.450 88 G N -0.380 108.445 108.800 0.042 0.000 2.446 88 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.217 88 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.217 88 G C 1.567 176.538 174.900 0.119 0.000 1.168 88 G CA 1.102 46.236 45.100 0.057 0.000 0.771 88 G HN 0.444 nan 8.290 nan 0.000 0.551 89 L N 0.700 122.003 121.223 0.132 0.000 1.970 89 L HA -0.163 4.177 4.340 -0.001 0.000 0.212 89 L C 3.494 180.674 176.870 0.516 0.000 1.071 89 L CA 1.347 56.360 54.840 0.288 0.000 0.751 89 L CB -0.676 41.411 42.059 0.046 0.000 0.889 89 L HN 0.331 nan 8.230 nan 0.000 0.432 90 A N 0.065 123.159 122.820 0.457 0.000 1.927 90 A HA -0.274 4.046 4.320 -0.001 0.000 0.220 90 A C 2.066 179.851 177.584 0.335 0.000 1.185 90 A CA 2.270 54.593 52.037 0.477 0.000 0.639 90 A CB -0.720 18.476 19.000 0.326 0.000 0.820 90 A HN 0.505 nan 8.150 nan 0.000 0.451 91 N N -0.578 118.252 118.700 0.216 0.000 2.188 91 N HA -0.135 4.604 4.740 -0.001 0.000 0.184 91 N C 1.737 177.313 175.510 0.110 0.000 1.018 91 N CA 1.528 54.661 53.050 0.138 0.000 0.858 91 N CB -0.272 38.265 38.487 0.084 0.000 0.989 91 N HN 0.684 nan 8.380 nan 0.000 0.426 92 K N 0.049 120.516 120.400 0.112 0.000 1.985 92 K HA -0.072 4.247 4.320 -0.001 0.000 0.210 92 K C 1.236 177.752 176.600 -0.140 0.000 1.047 92 K CA 1.373 57.626 56.287 -0.057 0.000 0.932 92 K CB -0.119 32.294 32.500 -0.145 0.000 0.716 92 K HN 0.032 nan 8.250 nan 0.000 0.439 93 F N 0.698 120.758 119.950 0.184 0.000 2.797 93 F HA 0.185 4.712 4.527 -0.001 0.000 0.302 93 F C 0.599 176.457 175.800 0.097 0.000 1.130 93 F CA 0.124 58.219 58.000 0.158 0.000 1.387 93 F CB 0.380 39.526 39.000 0.244 0.000 1.107 93 F HN -0.106 nan 8.300 nan 0.000 0.577 94 S N 0.227 116.076 115.700 0.249 0.000 3.749 94 S HA -0.238 4.231 4.470 -0.001 0.000 0.348 94 S C -0.261 174.441 174.600 0.169 0.000 1.045 94 S CA -0.064 58.235 58.200 0.165 0.000 1.051 94 S CB -1.982 61.264 63.200 0.077 0.000 0.898 94 S HN 0.271 nan 8.310 nan 0.000 0.472 95 F N 3.395 123.398 119.950 0.088 0.000 2.385 95 F HA 0.483 5.009 4.527 -0.001 0.000 0.360 95 F C -2.145 173.687 175.800 0.054 0.000 1.122 95 F CA -2.376 55.606 58.000 -0.030 0.000 1.090 95 F CB 1.031 39.826 39.000 -0.342 0.000 1.150 95 F HN -0.059 nan 8.300 nan 0.000 0.472 96 P HA 0.235 nan 4.420 nan 0.000 0.276 96 P C -0.950 176.551 177.300 0.334 0.000 1.230 96 P CA -0.031 63.254 63.100 0.308 0.000 0.776 96 P CB 1.217 33.049 31.700 0.221 0.000 0.888 97 L N 2.713 124.068 121.223 0.220 0.000 2.331 97 L HA 0.513 4.852 4.340 -0.001 0.000 0.275 97 L C 0.087 177.088 176.870 0.218 0.000 1.022 97 L CA -0.527 54.422 54.840 0.182 0.000 0.812 97 L CB 1.925 44.042 42.059 0.096 0.000 1.257 97 L HN 0.457 nan 8.230 nan 0.000 0.435 98 W N 5.873 127.182 121.300 0.015 0.000 2.485 98 W HA 0.341 5.001 4.660 -0.001 0.000 0.297 98 W C -2.622 173.883 176.519 -0.023 0.000 0.999 98 W CA -1.825 55.511 57.345 -0.015 0.000 1.512 98 W CB 1.714 31.174 29.460 -0.000 0.000 1.322 98 W HN 0.217 nan 8.180 nan 0.000 0.419 99 P HA 0.196 nan 4.420 nan 0.000 0.276 99 P C -0.461 176.646 177.300 -0.321 0.000 1.235 99 P CA 0.351 63.298 63.100 -0.255 0.000 0.772 99 P CB 1.581 33.139 31.700 -0.236 0.000 0.871 100 I N -0.944 119.550 120.570 -0.127 0.000 2.892 100 I HA 0.546 4.716 4.170 -0.001 0.000 0.306 100 I C 0.508 176.593 176.117 -0.053 0.000 1.078 100 I CA -0.702 60.567 61.300 -0.053 0.000 1.032 100 I CB 2.028 40.079 38.000 0.086 0.000 1.229 100 I HN 0.004 nan 8.210 nan 0.000 0.435 101 S N 2.305 117.991 115.700 -0.023 0.000 2.541 101 S HA 0.363 4.832 4.470 -0.001 0.000 0.219 101 S C 1.247 175.850 174.600 0.006 0.000 1.025 101 S CA 0.427 58.613 58.200 -0.023 0.000 0.917 101 S CB 0.120 63.308 63.200 -0.021 0.000 0.859 101 S HN 0.675 nan 8.310 nan 0.000 0.584 102 I N 0.040 120.639 120.570 0.049 0.000 4.244 102 I HA 0.266 4.436 4.170 -0.001 0.000 0.318 102 I C 1.607 177.816 176.117 0.153 0.000 1.282 102 I CA 0.920 62.271 61.300 0.084 0.000 1.276 102 I CB -0.486 37.551 38.000 0.061 0.000 1.183 102 I HN 0.505 nan 8.210 nan 0.000 0.431 103 G N 2.194 111.088 108.800 0.157 0.000 2.136 103 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.242 103 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.242 103 G C 0.726 175.713 174.900 0.145 0.000 0.989 103 G CA -0.070 45.157 45.100 0.210 0.000 0.682 103 G HN 0.387 nan 8.290 nan 0.000 0.522 104 R N 0.052 120.625 120.500 0.121 0.000 3.179 104 R HA 0.174 4.513 4.340 -0.001 0.000 0.317 104 R C 0.428 176.861 176.300 0.221 0.000 1.331 104 R CA -0.502 55.671 56.100 0.122 0.000 1.184 104 R CB -0.045 30.273 30.300 0.030 0.000 1.408 104 R HN 0.115 nan 8.270 nan 0.000 0.598 105 N N 1.079 119.921 118.700 0.237 0.000 3.243 105 N HA 0.023 4.763 4.740 -0.001 0.000 0.310 105 N C -0.739 174.954 175.510 0.305 0.000 1.313 105 N CA 0.206 53.441 53.050 0.309 0.000 1.204 105 N CB 0.221 38.887 38.487 0.298 0.000 1.483 105 N HN 0.026 nan 8.380 nan 0.000 0.553 106 S N -0.600 115.258 115.700 0.262 0.000 2.537 106 S HA 0.342 4.811 4.470 -0.001 0.000 0.286 106 S C 1.371 175.928 174.600 -0.071 0.000 1.299 106 S CA 0.520 58.794 58.200 0.123 0.000 1.067 106 S CB 0.626 63.915 63.200 0.149 0.000 0.864 106 S HN 0.668 nan 8.310 nan 0.000 0.494 107 G N 2.408 111.061 108.800 -0.245 0.000 2.199 107 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.254 107 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.254 107 G C 0.207 175.083 174.900 -0.040 0.000 0.982 107 G CA 0.221 45.100 45.100 -0.368 0.000 0.632 107 G HN 0.703 nan 8.290 nan 0.000 0.529 108 Y N -0.361 120.124 120.300 0.308 0.000 2.563 108 Y HA 0.474 5.024 4.550 -0.001 0.000 0.250 108 Y C 1.927 177.715 175.900 -0.187 0.000 1.126 108 Y CA 0.053 58.272 58.100 0.197 0.000 1.231 108 Y CB 1.096 39.664 38.460 0.181 0.000 1.288 108 Y HN 0.995 nan 8.280 nan 0.000 0.537 109 G N -1.192 107.560 108.800 -0.080 0.000 2.296 109 G HA2 0.106 4.065 3.960 -0.001 0.000 0.188 109 G HA3 0.106 4.065 3.960 -0.001 0.000 0.188 109 G C 0.956 175.873 174.900 0.028 0.000 1.000 109 G CA 0.108 45.039 45.100 -0.281 0.000 0.672 109 G HN 0.901 nan 8.290 nan 0.000 0.483 110 G N 0.342 109.228 108.800 0.143 0.000 2.550 110 G HA2 0.152 4.111 3.960 -0.001 0.000 0.277 110 G HA3 0.152 4.111 3.960 -0.001 0.000 0.277 110 G C 1.218 176.216 174.900 0.164 0.000 1.190 110 G CA 2.252 47.447 45.100 0.158 0.000 0.971 110 G HN 1.939 nan 8.290 nan 0.000 0.559 111 A N 0.327 123.239 122.820 0.153 0.000 2.345 111 A HA 0.763 5.083 4.320 -0.001 0.000 0.225 111 A C 1.449 179.132 177.584 0.164 0.000 1.243 111 A CA 1.555 53.733 52.037 0.235 0.000 0.875 111 A CB -0.552 18.619 19.000 0.285 0.000 0.929 111 A HN 2.401 nan 8.150 nan 0.000 0.502 112 A N 1.866 124.695 122.820 0.015 0.000 2.498 112 A HA 0.513 4.832 4.320 -0.001 0.000 0.239 112 A C -2.282 174.889 177.584 -0.688 0.000 1.068 112 A CA -0.984 50.967 52.037 -0.144 0.000 0.766 112 A CB -0.165 18.802 19.000 -0.055 0.000 1.003 112 A HN 0.300 nan 8.150 nan 0.000 0.497 113 P HA 0.170 nan 4.420 nan 0.000 0.277 113 P C 0.536 177.162 177.300 -1.124 0.000 1.240 113 P CA -0.487 61.710 63.100 -1.505 0.000 0.798 113 P CB 0.893 32.303 31.700 -0.482 0.000 0.979 114 R N 1.041 120.767 120.500 -1.290 0.000 2.081 114 R HA 0.009 4.349 4.340 -0.001 0.000 0.235 114 R C 0.204 176.534 176.300 0.051 0.000 1.131 114 R CA 1.104 56.903 56.100 -0.501 0.000 0.960 114 R CB -0.448 29.681 30.300 -0.285 0.000 0.856 114 R HN 0.342 nan 8.270 nan 0.000 0.436 115 V N 2.163 122.068 119.914 -0.015 0.000 2.385 115 V HA 0.077 4.197 4.120 -0.001 0.000 0.269 115 V C 0.151 176.332 176.094 0.146 0.000 1.043 115 V CA -0.159 62.228 62.300 0.146 0.000 0.906 115 V CB 1.489 33.276 31.823 -0.061 0.000 0.995 115 V HN 0.183 nan 8.190 nan 0.000 0.467 116 S N 3.589 119.416 115.700 0.211 0.000 2.572 116 S HA 0.478 4.947 4.470 -0.001 0.000 0.279 116 S C 1.296 175.981 174.600 0.141 0.000 1.341 116 S CA 0.516 58.788 58.200 0.120 0.000 1.043 116 S CB 1.040 64.254 63.200 0.023 0.000 0.887 116 S HN 1.436 nan 8.310 nan 0.000 0.516 117 G N 1.714 110.587 108.800 0.122 0.000 2.213 117 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.226 117 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.226 117 G C 0.193 175.252 174.900 0.264 0.000 0.992 117 G CA 0.001 45.179 45.100 0.131 0.000 0.632 117 G HN 0.727 nan 8.290 nan 0.000 0.511 118 S N -0.092 115.761 115.700 0.256 0.000 2.585 118 S HA 0.481 4.951 4.470 -0.001 0.000 0.273 118 S C 0.682 175.503 174.600 0.367 0.000 1.339 118 S CA -0.240 58.175 58.200 0.360 0.000 1.028 118 S CB 2.153 65.518 63.200 0.274 0.000 0.906 118 S HN 0.685 nan 8.310 nan 0.000 0.528 119 V N 3.192 123.303 119.914 0.328 0.000 2.508 119 V HA 0.089 4.209 4.120 -0.001 0.000 0.281 119 V C 0.158 176.363 176.094 0.185 0.000 1.041 119 V CA -0.332 62.063 62.300 0.158 0.000 1.016 119 V CB 0.983 32.769 31.823 -0.062 0.000 0.984 119 V HN 0.656 nan 8.190 nan 0.000 0.478 120 V N 7.130 127.153 119.914 0.181 0.000 2.470 120 V HA 0.123 4.242 4.120 -0.001 0.000 0.276 120 V C 0.133 176.288 176.094 0.101 0.000 1.040 120 V CA -0.182 62.242 62.300 0.206 0.000 1.008 120 V CB 1.217 33.168 31.823 0.212 0.000 0.990 120 V HN 0.616 nan 8.190 nan 0.000 0.477 121 L N 5.404 126.672 121.223 0.075 0.000 2.268 121 L HA 0.403 4.743 4.340 -0.001 0.000 0.289 121 L C 0.258 177.092 176.870 -0.059 0.000 1.064 121 L CA 0.126 54.959 54.840 -0.013 0.000 0.824 121 L CB 0.814 42.856 42.059 -0.028 0.000 1.202 121 L HN 0.601 nan 8.230 nan 0.000 0.433 122 D N 5.175 125.512 120.400 -0.106 0.000 2.517 122 D HA 0.044 4.683 4.640 -0.001 0.000 0.220 122 D C 1.169 177.393 176.300 -0.126 0.000 1.158 122 D CA -0.134 53.758 54.000 -0.179 0.000 0.992 122 D CB 0.573 41.191 40.800 -0.304 0.000 1.058 122 D HN 0.476 nan 8.370 nan 0.000 0.516 123 M N 1.357 120.898 119.600 -0.099 0.000 2.159 123 M HA -0.037 4.443 4.480 -0.001 0.000 0.263 123 M C 2.017 178.278 176.300 -0.066 0.000 1.063 123 M CA 0.975 56.228 55.300 -0.078 0.000 1.110 123 M CB -1.078 31.477 32.600 -0.075 0.000 1.374 123 M HN 0.380 nan 8.290 nan 0.000 0.411 124 G N -0.028 108.734 108.800 -0.064 0.000 2.448 124 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.218 124 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.218 124 G C 1.739 176.622 174.900 -0.029 0.000 1.135 124 G CA 0.608 45.684 45.100 -0.040 0.000 0.784 124 G HN 0.457 nan 8.290 nan 0.000 0.543 125 K N 0.572 120.946 120.400 -0.043 0.000 1.991 125 K HA -0.134 4.185 4.320 -0.001 0.000 0.212 125 K C 1.810 178.399 176.600 -0.018 0.000 1.049 125 K CA 1.631 57.905 56.287 -0.021 0.000 0.932 125 K CB -0.108 32.373 32.500 -0.031 0.000 0.717 125 K HN 0.224 nan 8.250 nan 0.000 0.441 126 N N -0.430 118.253 118.700 -0.028 0.000 2.322 126 N HA 0.058 4.797 4.740 -0.001 0.000 0.181 126 N C 0.098 175.594 175.510 -0.023 0.000 1.088 126 N CA 0.375 53.411 53.050 -0.023 0.000 0.885 126 N CB 0.549 39.019 38.487 -0.028 0.000 1.013 126 N HN 0.200 nan 8.380 nan 0.000 0.472 127 M N 0.855 120.438 119.600 -0.029 0.000 3.266 127 M HA 0.236 4.716 4.480 -0.001 0.000 0.260 127 M C 0.442 176.726 176.300 -0.027 0.000 1.319 127 M CA -0.036 55.247 55.300 -0.027 0.000 1.412 127 M CB 0.101 32.681 32.600 -0.034 0.000 1.113 127 M HN 0.007 nan 8.290 nan 0.000 0.588 128 N N 0.254 118.942 118.700 -0.020 0.000 2.322 128 N HA 0.117 4.856 4.740 -0.001 0.000 0.181 128 N C -0.045 175.453 175.510 -0.019 0.000 1.088 128 N CA -0.129 52.912 53.050 -0.016 0.000 0.885 128 N CB 0.743 39.229 38.487 -0.002 0.000 1.013 128 N HN 0.450 nan 8.380 nan 0.000 0.472 129 R N 1.155 121.643 120.500 -0.020 0.000 2.491 129 R HA 0.168 4.507 4.340 -0.001 0.000 0.283 129 R C -0.338 175.917 176.300 -0.076 0.000 1.072 129 R CA -0.181 55.903 56.100 -0.027 0.000 1.048 129 R CB 1.288 31.581 30.300 -0.012 0.000 0.983 129 R HN -0.124 nan 8.270 nan 0.000 0.450 130 V N 6.149 125.992 119.914 -0.119 0.000 2.370 130 V HA -0.018 4.101 4.120 -0.001 0.000 0.257 130 V C 1.460 177.413 176.094 -0.235 0.000 1.064 130 V CA 0.305 62.437 62.300 -0.281 0.000 0.975 130 V CB 0.142 31.602 31.823 -0.606 0.000 1.067 130 V HN 0.729 nan 8.190 nan 0.000 0.485 131 L N 3.064 124.190 121.223 -0.162 0.000 2.109 131 L HA 0.143 4.482 4.340 -0.001 0.000 0.207 131 L C 1.084 177.899 176.870 -0.092 0.000 1.086 131 L CA 1.242 56.033 54.840 -0.082 0.000 0.760 131 L CB 0.068 42.113 42.059 -0.024 0.000 0.910 131 L HN 0.688 nan 8.230 nan 0.000 0.437 132 E N -0.887 119.214 120.200 -0.165 0.000 2.363 132 E HA 0.361 4.711 4.350 -0.001 0.000 0.281 132 E C -1.756 174.708 176.600 -0.226 0.000 0.953 132 E CA -0.469 55.844 56.400 -0.144 0.000 0.778 132 E CB 2.453 32.108 29.700 -0.074 0.000 1.220 132 E HN -0.267 nan 8.360 nan 0.000 0.431 133 V N 4.444 124.243 119.914 -0.192 0.000 2.349 133 V HA 0.327 4.447 4.120 -0.001 0.000 0.284 133 V C -0.369 175.570 176.094 -0.258 0.000 1.014 133 V CA -0.814 61.365 62.300 -0.202 0.000 0.826 133 V CB 1.388 33.178 31.823 -0.055 0.000 1.009 133 V HN 0.582 nan 8.190 nan 0.000 0.431 134 N N 4.046 122.428 118.700 -0.530 0.000 2.437 134 N HA 0.254 4.994 4.740 -0.001 0.000 0.259 134 N C 0.693 175.988 175.510 -0.358 0.000 0.983 134 N CA -0.216 52.495 53.050 -0.565 0.000 0.937 134 N CB 2.199 39.999 38.487 -1.146 0.000 1.122 134 N HN 0.352 nan 8.380 nan 0.000 0.499 135 V N 4.327 124.130 119.914 -0.185 0.000 2.283 135 V HA -0.226 3.893 4.120 -0.001 0.000 0.243 135 V C 2.310 178.351 176.094 -0.089 0.000 1.039 135 V CA 2.013 64.246 62.300 -0.112 0.000 1.016 135 V CB -0.581 31.200 31.823 -0.070 0.000 0.650 135 V HN 0.791 nan 8.190 nan 0.000 0.449 136 E N 1.338 121.498 120.200 -0.068 0.000 2.153 136 E HA -0.141 4.209 4.350 -0.001 0.000 0.194 136 E C 1.990 178.581 176.600 -0.014 0.000 0.988 136 E CA 1.641 58.020 56.400 -0.035 0.000 0.811 136 E CB -0.552 29.138 29.700 -0.017 0.000 0.746 136 E HN 0.516 nan 8.360 nan 0.000 0.466 137 G N 0.317 109.121 108.800 0.008 0.000 3.042 137 G HA2 0.291 4.251 3.960 -0.001 0.000 0.212 137 G HA3 0.291 4.251 3.960 -0.001 0.000 0.212 137 G C 0.649 175.632 174.900 0.139 0.000 1.166 137 G CA -0.093 45.087 45.100 0.133 0.000 0.767 137 G HN 0.612 nan 8.290 nan 0.000 0.546 138 A N -0.849 121.973 122.820 0.003 0.000 2.312 138 A HA -0.003 4.317 4.320 -0.001 0.000 0.286 138 A C 0.074 177.760 177.584 0.171 0.000 1.425 138 A CA 1.379 53.423 52.037 0.013 0.000 0.748 138 A CB -2.450 16.549 19.000 -0.003 0.000 1.126 138 A HN 1.826 nan 8.150 nan 0.000 0.368 139 Y N -2.609 117.729 120.300 0.063 0.000 2.655 139 Y HA 0.730 5.280 4.550 -0.001 0.000 0.336 139 Y C -0.102 175.784 175.900 -0.024 0.000 1.154 139 Y CA -1.537 56.619 58.100 0.094 0.000 1.055 139 Y CB 0.262 38.829 38.460 0.179 0.000 1.295 139 Y HN 1.258 nan 8.280 nan 0.000 0.465 140 C N 0.439 119.837 119.300 0.163 0.000 2.994 140 C HA 0.948 5.408 4.460 -0.001 0.000 0.304 140 C C -1.200 173.746 174.990 -0.072 0.000 1.273 140 C CA -1.004 57.989 59.018 -0.041 0.000 1.537 140 C CB 1.170 28.846 27.740 -0.108 0.000 2.001 140 C HN 0.874 nan 8.230 nan 0.000 0.471 141 V N 1.954 121.744 119.914 -0.206 0.000 2.495 141 V HA 0.840 4.960 4.120 -0.001 0.000 0.298 141 V C -0.242 175.714 176.094 -0.230 0.000 1.031 141 V CA -0.264 61.828 62.300 -0.347 0.000 0.871 141 V CB 1.474 32.974 31.823 -0.537 0.000 0.988 141 V HN 0.955 nan 8.190 nan 0.000 0.432 142 V N 3.460 123.262 119.914 -0.187 0.000 3.114 142 V HA 0.496 4.616 4.120 -0.001 0.000 0.308 142 V C -0.483 175.558 176.094 -0.089 0.000 1.168 142 V CA -0.597 61.618 62.300 -0.142 0.000 1.015 142 V CB 2.746 34.472 31.823 -0.162 0.000 1.050 142 V HN 0.963 nan 8.190 nan 0.000 0.433 143 E N 3.296 123.452 120.200 -0.073 0.000 2.250 143 E HA 0.340 4.690 4.350 -0.001 0.000 0.265 143 E C -1.847 174.717 176.600 -0.061 0.000 1.033 143 E CA -1.660 54.711 56.400 -0.048 0.000 0.888 143 E CB 1.563 31.243 29.700 -0.033 0.000 1.151 143 E HN 0.412 nan 8.360 nan 0.000 0.412 144 P HA -0.163 nan 4.420 nan 0.000 0.217 144 P C 1.013 178.282 177.300 -0.051 0.000 1.148 144 P CA 1.285 64.352 63.100 -0.055 0.000 0.828 144 P CB 0.111 31.779 31.700 -0.053 0.000 0.783 145 G N -1.050 107.724 108.800 -0.043 0.000 2.712 145 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.212 145 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.212 145 G C 0.326 175.207 174.900 -0.032 0.000 1.142 145 G CA -0.047 45.035 45.100 -0.030 0.000 0.789 145 G HN 0.168 nan 8.290 nan 0.000 0.535 146 V N 2.717 122.596 119.914 -0.057 0.000 2.450 146 V HA 0.229 4.349 4.120 -0.001 0.000 0.281 146 V C 1.153 177.192 176.094 -0.092 0.000 1.019 146 V CA 0.141 62.403 62.300 -0.065 0.000 1.062 146 V CB 0.066 31.826 31.823 -0.105 0.000 0.979 146 V HN 0.420 nan 8.190 nan 0.000 0.477 147 T N 2.157 116.696 114.554 -0.024 0.000 2.824 147 T HA 0.301 4.650 4.350 -0.001 0.000 0.277 147 T C 0.913 175.593 174.700 -0.033 0.000 0.975 147 T CA -0.228 61.866 62.100 -0.011 0.000 0.966 147 T CB 0.572 69.525 68.868 0.142 0.000 1.054 147 T HN 0.381 nan 8.240 nan 0.000 0.533 148 Y N -0.790 119.584 120.300 0.123 0.000 2.274 148 Y HA -0.035 4.515 4.550 -0.001 0.000 0.290 148 Y C 2.807 178.777 175.900 0.116 0.000 1.145 148 Y CA 1.835 59.987 58.100 0.086 0.000 1.203 148 Y CB -0.845 37.644 38.460 0.047 0.000 0.984 148 Y HN 0.881 nan 8.280 nan 0.000 0.533 149 H N -0.157 119.069 119.070 0.260 0.000 2.321 149 H HA -0.163 4.393 4.556 -0.001 0.000 0.300 149 H C 1.763 177.223 175.328 0.221 0.000 1.087 149 H CA 1.872 58.064 56.048 0.240 0.000 1.319 149 H CB 0.049 29.985 29.762 0.290 0.000 1.379 149 H HN 0.207 nan 8.280 nan 0.000 0.501 150 D N 0.161 120.755 120.400 0.322 0.000 2.084 150 D HA -0.158 4.481 4.640 -0.001 0.000 0.194 150 D C 2.250 178.665 176.300 0.191 0.000 0.990 150 D CA 0.849 54.977 54.000 0.213 0.000 0.826 150 D CB -0.566 40.308 40.800 0.123 0.000 0.971 150 D HN 0.247 nan 8.370 nan 0.000 0.453 151 L N 0.737 122.042 121.223 0.136 0.000 2.079 151 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 151 L C 2.232 179.212 176.870 0.184 0.000 1.081 151 L CA 1.794 56.697 54.840 0.105 0.000 0.752 151 L CB -0.687 41.381 42.059 0.016 0.000 0.896 151 L HN 0.214 nan 8.230 nan 0.000 0.433 152 H N -0.846 118.279 119.070 0.092 0.000 2.353 152 H HA -0.156 4.399 4.556 -0.001 0.000 0.300 152 H C 1.732 177.107 175.328 0.077 0.000 1.090 152 H CA 1.739 57.816 56.048 0.049 0.000 1.327 152 H CB 0.297 30.039 29.762 -0.035 0.000 1.383 152 H HN 0.421 nan 8.280 nan 0.000 0.508 153 N N 0.273 119.047 118.700 0.124 0.000 2.188 153 N HA -0.164 4.576 4.740 -0.001 0.000 0.184 153 N C 1.833 177.356 175.510 0.022 0.000 1.018 153 N CA 0.912 53.990 53.050 0.046 0.000 0.858 153 N CB -0.815 37.766 38.487 0.157 0.000 0.989 153 N HN 0.445 nan 8.380 nan 0.000 0.426 154 Y N 1.694 121.984 120.300 -0.016 0.000 2.165 154 Y HA -0.089 4.460 4.550 -0.001 0.000 0.286 154 Y C 2.140 178.008 175.900 -0.054 0.000 1.155 154 Y CA 1.395 59.479 58.100 -0.026 0.000 1.164 154 Y CB -0.350 38.102 38.460 -0.013 0.000 0.978 154 Y HN -0.020 nan 8.280 nan 0.000 0.513 155 L N -0.275 121.033 121.223 0.141 0.000 2.093 155 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 155 L C 2.447 179.259 176.870 -0.097 0.000 1.085 155 L CA 1.380 56.246 54.840 0.043 0.000 0.755 155 L CB -0.534 41.552 42.059 0.045 0.000 0.904 155 L HN 0.256 nan 8.230 nan 0.000 0.435 156 E N 0.363 120.454 120.200 -0.182 0.000 2.072 156 E HA -0.177 4.173 4.350 -0.001 0.000 0.191 156 E C 2.318 178.832 176.600 -0.144 0.000 0.985 156 E CA 1.288 57.570 56.400 -0.195 0.000 0.801 156 E CB -0.111 29.417 29.700 -0.286 0.000 0.750 156 E HN 0.454 nan 8.360 nan 0.000 0.452 157 A N 1.635 124.360 122.820 -0.158 0.000 1.978 157 A HA -0.193 4.127 4.320 -0.001 0.000 0.220 157 A C 1.617 179.095 177.584 -0.176 0.000 1.170 157 A CA 1.719 53.661 52.037 -0.158 0.000 0.636 157 A CB -0.532 18.360 19.000 -0.180 0.000 0.810 157 A HN 0.203 nan 8.150 nan 0.000 0.448 158 N N -0.358 118.210 118.700 -0.220 0.000 2.280 158 N HA 0.062 4.802 4.740 -0.001 0.000 0.192 158 N C -0.196 175.251 175.510 -0.104 0.000 1.109 158 N CA 0.230 53.171 53.050 -0.183 0.000 0.855 158 N CB 0.289 38.621 38.487 -0.257 0.000 0.974 158 N HN 0.357 nan 8.380 nan 0.000 0.482 159 N N -0.090 118.557 118.700 -0.088 0.000 2.741 159 N HA -0.179 4.561 4.740 -0.001 0.000 0.251 159 N C 0.173 175.666 175.510 -0.027 0.000 1.112 159 N CA 0.446 53.464 53.050 -0.053 0.000 0.750 159 N CB -1.416 37.046 38.487 -0.043 0.000 1.119 159 N HN 0.372 nan 8.380 nan 0.000 0.561 160 L N 0.231 121.441 121.223 -0.023 0.000 2.551 160 L HA 0.004 4.344 4.340 -0.001 0.000 0.228 160 L C 2.485 179.384 176.870 0.048 0.000 1.153 160 L CA 0.563 55.409 54.840 0.010 0.000 0.851 160 L CB -0.192 41.885 42.059 0.029 0.000 0.959 160 L HN 0.241 nan 8.230 nan 0.000 0.451 161 R N 0.514 121.043 120.500 0.049 0.000 2.152 161 R HA -0.182 4.157 4.340 -0.001 0.000 0.232 161 R C 1.188 177.609 176.300 0.203 0.000 1.117 161 R CA 1.632 57.806 56.100 0.123 0.000 0.981 161 R CB -0.101 30.220 30.300 0.035 0.000 0.870 161 R HN 0.311 nan 8.270 nan 0.000 0.451 162 D N 0.357 120.821 120.400 0.105 0.000 2.269 162 D HA -0.070 4.570 4.640 -0.001 0.000 0.208 162 D C 1.168 177.482 176.300 0.023 0.000 0.963 162 D CA 1.138 55.185 54.000 0.080 0.000 0.864 162 D CB 0.247 41.069 40.800 0.036 0.000 0.936 162 D HN 0.366 nan 8.370 nan 0.000 0.505 163 K N -0.937 119.472 120.400 0.014 0.000 2.350 163 K HA 0.274 4.593 4.320 -0.001 0.000 0.196 163 K C 0.466 177.030 176.600 -0.059 0.000 1.084 163 K CA 0.272 56.535 56.287 -0.040 0.000 0.967 163 K CB 1.197 33.677 32.500 -0.032 0.000 0.950 163 K HN -0.051 nan 8.250 nan 0.000 0.512 164 L N 0.407 121.642 121.223 0.020 0.000 2.388 164 L HA 0.467 4.807 4.340 -0.001 0.000 0.264 164 L C -1.344 175.678 176.870 0.253 0.000 0.998 164 L CA -1.026 53.835 54.840 0.034 0.000 0.817 164 L CB 1.585 43.655 42.059 0.018 0.000 1.338 164 L HN -0.038 nan 8.230 nan 0.000 0.414 165 W N 2.135 123.369 121.300 -0.111 0.000 2.706 165 W HA 0.687 5.347 4.660 -0.001 0.000 0.346 165 W C -0.386 176.076 176.519 -0.095 0.000 1.071 165 W CA -0.868 56.420 57.345 -0.095 0.000 1.206 165 W CB 1.299 30.685 29.460 -0.124 0.000 1.413 165 W HN 0.188 nan 8.180 nan 0.000 0.542 166 L N 1.695 122.999 121.223 0.134 0.000 2.416 166 L HA 0.470 4.810 4.340 -0.001 0.000 0.263 166 L C -0.027 176.881 176.870 0.064 0.000 1.065 166 L CA -0.716 54.176 54.840 0.087 0.000 0.798 166 L CB 0.970 43.093 42.059 0.106 0.000 1.267 166 L HN 0.237 nan 8.230 nan 0.000 0.467 167 D N 0.960 121.405 120.400 0.075 0.000 2.542 167 D HA 0.438 5.077 4.640 -0.001 0.000 0.252 167 D C -1.244 175.072 176.300 0.025 0.000 1.222 167 D CA -0.194 53.859 54.000 0.088 0.000 0.895 167 D CB 1.956 42.868 40.800 0.187 0.000 1.207 167 D HN 0.273 nan 8.370 nan 0.000 0.558 168 V N 1.577 121.437 119.914 -0.091 0.000 2.919 168 V HA 0.745 4.864 4.120 -0.001 0.000 0.316 168 V C -2.585 173.355 176.094 -0.257 0.000 1.077 168 V CA -2.024 60.041 62.300 -0.393 0.000 0.977 168 V CB 1.447 33.035 31.823 -0.391 0.000 1.039 168 V HN 0.338 nan 8.190 nan 0.000 0.441 169 P HA 0.302 nan 4.420 nan 0.000 0.286 169 P C 0.096 177.409 177.300 0.020 0.000 1.293 169 P CA -0.156 62.884 63.100 -0.100 0.000 0.770 169 P CB 0.613 32.273 31.700 -0.066 0.000 1.206 170 D N -1.134 119.346 120.400 0.134 0.000 2.149 170 D HA -0.055 4.585 4.640 -0.001 0.000 0.198 170 D C 0.855 177.118 176.300 -0.061 0.000 0.990 170 D CA 1.370 55.391 54.000 0.036 0.000 0.839 170 D CB -0.162 40.673 40.800 0.059 0.000 0.948 170 D HN 0.239 nan 8.370 nan 0.000 0.460 171 L N -1.037 120.171 121.223 -0.025 0.000 2.358 171 L HA 0.496 4.836 4.340 -0.001 0.000 0.268 171 L C 1.678 178.529 176.870 -0.031 0.000 1.032 171 L CA -0.540 54.269 54.840 -0.052 0.000 0.805 171 L CB 1.716 43.822 42.059 0.078 0.000 1.253 171 L HN -0.159 nan 8.230 nan 0.000 0.452 172 G N -0.686 108.065 108.800 -0.083 0.000 3.044 172 G HA2 0.068 4.028 3.960 -0.001 0.000 0.223 172 G HA3 0.068 4.028 3.960 -0.001 0.000 0.223 172 G C 1.108 176.315 174.900 0.513 0.000 1.123 172 G CA 0.521 45.669 45.100 0.080 0.000 0.765 172 G HN 0.829 nan 8.290 nan 0.000 0.546 173 G N 0.642 109.886 108.800 0.739 0.000 2.650 173 G HA2 0.331 4.290 3.960 -0.001 0.000 0.214 173 G HA3 0.331 4.290 3.960 -0.001 0.000 0.214 173 G C 0.975 176.068 174.900 0.322 0.000 1.136 173 G CA 0.561 45.970 45.100 0.514 0.000 0.789 173 G HN 0.568 nan 8.290 nan 0.000 0.536 174 G N -0.175 108.886 108.800 0.435 0.000 2.634 174 G HA2 0.358 4.318 3.960 -0.001 0.000 0.255 174 G HA3 0.358 4.318 3.960 -0.001 0.000 0.255 174 G C -0.004 175.032 174.900 0.226 0.000 1.205 174 G CA 0.213 45.527 45.100 0.356 0.000 0.884 174 G HN 0.257 nan 8.290 nan 0.000 0.549 175 S N -0.779 114.973 115.700 0.088 0.000 2.475 175 S HA 0.233 4.703 4.470 -0.001 0.000 0.281 175 S C 1.501 175.949 174.600 -0.254 0.000 1.198 175 S CA -0.745 57.397 58.200 -0.097 0.000 1.063 175 S CB 1.198 64.387 63.200 -0.019 0.000 0.972 175 S HN 0.395 nan 8.310 nan 0.000 0.486 176 V N 6.019 125.588 119.914 -0.575 0.000 2.255 176 V HA -0.155 3.964 4.120 -0.001 0.000 0.247 176 V C 2.384 178.370 176.094 -0.180 0.000 1.051 176 V CA 2.092 64.035 62.300 -0.595 0.000 1.018 176 V CB -1.030 30.488 31.823 -0.507 0.000 0.641 176 V HN 0.874 nan 8.190 nan 0.000 0.445 177 L N 1.797 122.940 121.223 -0.133 0.000 2.027 177 L HA 0.106 4.446 4.340 -0.001 0.000 0.206 177 L C 2.296 179.169 176.870 0.005 0.000 1.074 177 L CA 2.461 57.271 54.840 -0.050 0.000 0.745 177 L CB -1.803 40.218 42.059 -0.063 0.000 0.898 177 L HN 0.226 nan 8.230 nan 0.000 0.433 178 G N 0.346 109.143 108.800 -0.004 0.000 2.545 178 G HA2 -0.424 3.535 3.960 -0.001 0.000 0.217 178 G HA3 -0.424 3.535 3.960 -0.001 0.000 0.217 178 G C 1.585 176.535 174.900 0.083 0.000 1.218 178 G CA 0.929 46.045 45.100 0.026 0.000 0.787 178 G HN 0.588 nan 8.290 nan 0.000 0.571 179 N N 1.566 120.359 118.700 0.156 0.000 2.094 179 N HA -0.150 4.589 4.740 -0.001 0.000 0.191 179 N C 2.456 178.125 175.510 0.265 0.000 1.023 179 N CA 1.799 55.002 53.050 0.255 0.000 0.857 179 N CB -0.328 38.425 38.487 0.442 0.000 1.013 179 N HN 0.276 nan 8.380 nan 0.000 0.426 180 A N 0.910 123.885 122.820 0.257 0.000 1.898 180 A HA -0.066 4.253 4.320 -0.001 0.000 0.216 180 A C 2.466 180.262 177.584 0.353 0.000 1.181 180 A CA 1.748 53.977 52.037 0.320 0.000 0.620 180 A CB -0.917 18.210 19.000 0.212 0.000 0.819 180 A HN 0.315 nan 8.150 nan 0.000 0.442 181 V N -2.398 117.643 119.914 0.211 0.000 2.759 181 V HA -0.098 4.022 4.120 -0.001 0.000 0.256 181 V C 1.508 177.548 176.094 -0.090 0.000 1.080 181 V CA 2.158 64.501 62.300 0.073 0.000 1.101 181 V CB -0.652 31.185 31.823 0.024 0.000 0.698 181 V HN 0.465 nan 8.190 nan 0.000 0.477 182 E N 0.534 120.715 120.200 -0.031 0.000 2.502 182 E HA 0.096 4.446 4.350 -0.001 0.000 0.194 182 E C 0.479 177.043 176.600 -0.059 0.000 1.062 182 E CA 0.089 56.428 56.400 -0.103 0.000 0.867 182 E CB -0.065 29.586 29.700 -0.082 0.000 0.888 182 E HN 0.699 nan 8.360 nan 0.000 0.510 183 R N -0.481 120.055 120.500 0.059 0.000 3.418 183 R HA -0.125 4.215 4.340 -0.001 0.000 0.274 183 R C 0.625 177.081 176.300 0.260 0.000 1.108 183 R CA 0.368 56.575 56.100 0.178 0.000 0.741 183 R CB -2.361 27.977 30.300 0.064 0.000 1.223 183 R HN 0.175 nan 8.270 nan 0.000 0.434 184 G N 0.002 108.930 108.800 0.212 0.000 2.684 184 G HA2 0.423 4.382 3.960 -0.001 0.000 0.255 184 G HA3 0.423 4.382 3.960 -0.001 0.000 0.255 184 G C 0.037 174.843 174.900 -0.157 0.000 1.219 184 G CA -0.337 44.843 45.100 0.133 0.000 0.901 184 G HN 0.039 nan 8.290 nan 0.000 0.548 185 V N -0.496 119.200 119.914 -0.363 0.000 2.823 185 V HA 0.851 4.971 4.120 -0.001 0.000 0.312 185 V C 0.726 176.250 176.094 -0.950 0.000 1.072 185 V CA 0.099 61.994 62.300 -0.674 0.000 0.937 185 V CB 1.898 33.392 31.823 -0.548 0.000 1.013 185 V HN 1.169 nan 8.190 nan 0.000 0.430 186 G N 0.913 109.066 108.800 -1.077 0.000 2.818 186 G HA2 0.572 4.531 3.960 -0.001 0.000 0.286 186 G HA3 0.572 4.531 3.960 -0.001 0.000 0.286 186 G C -1.217 172.995 174.900 -1.146 0.000 1.364 186 G CA -0.260 44.242 45.100 -0.997 0.000 0.938 186 G HN 0.541 nan 8.290 nan 0.000 0.490 187 Y N -0.185 120.115 120.300 -0.001 0.000 2.531 187 Y HA 0.258 4.808 4.550 -0.001 0.000 0.249 187 Y C 1.872 177.832 175.900 0.101 0.000 1.168 187 Y CA -0.174 57.941 58.100 0.026 0.000 1.226 187 Y CB 0.107 38.563 38.460 -0.008 0.000 1.177 187 Y HN 0.611 nan 8.280 nan 0.000 0.527 188 T N -2.946 111.695 114.554 0.145 0.000 2.902 188 T HA 0.260 4.610 4.350 -0.001 0.000 0.287 188 T C -1.863 172.865 174.700 0.046 0.000 1.048 188 T CA -1.996 60.189 62.100 0.141 0.000 0.941 188 T CB 1.097 70.038 68.868 0.122 0.000 1.432 188 T HN -0.262 nan 8.240 nan 0.000 0.586 189 P HA 0.094 nan 4.420 nan 0.000 0.234 189 P C 0.025 177.440 177.300 0.191 0.000 1.167 189 P CA 0.568 63.670 63.100 0.004 0.000 0.763 189 P CB -0.164 31.463 31.700 -0.121 0.000 0.835 190 Y N -0.992 119.303 120.300 -0.010 0.000 2.583 190 Y HA 0.335 4.885 4.550 -0.001 0.000 0.294 190 Y C 2.201 178.168 175.900 0.112 0.000 1.170 190 Y CA -0.625 57.513 58.100 0.064 0.000 1.265 190 Y CB -1.044 37.467 38.460 0.085 0.000 1.119 190 Y HN -0.056 nan 8.280 nan 0.000 0.522 191 G N -0.465 108.424 108.800 0.148 0.000 2.462 191 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.220 191 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.220 191 G C 0.688 175.582 174.900 -0.011 0.000 1.121 191 G CA 0.686 45.794 45.100 0.013 0.000 0.758 191 G HN 0.244 nan 8.290 nan 0.000 0.559 192 D N -0.115 120.313 120.400 0.046 0.000 2.498 192 D HA 0.110 4.750 4.640 -0.001 0.000 0.229 192 D C 1.351 177.772 176.300 0.201 0.000 1.188 192 D CA -0.267 53.768 54.000 0.058 0.000 1.028 192 D CB -0.553 40.279 40.800 0.053 0.000 1.087 192 D HN 0.488 nan 8.370 nan 0.000 0.510 193 H N 1.778 120.897 119.070 0.081 0.000 2.265 193 H HA -0.209 4.346 4.556 -0.001 0.000 0.293 193 H C 1.731 177.142 175.328 0.137 0.000 1.089 193 H CA 1.158 57.279 56.048 0.121 0.000 1.244 193 H CB 0.034 29.888 29.762 0.153 0.000 1.355 193 H HN 0.578 nan 8.280 nan 0.000 0.485 194 W N 1.373 122.778 121.300 0.175 0.000 2.342 194 W HA -0.199 4.461 4.660 -0.001 0.000 0.297 194 W C 1.552 178.173 176.519 0.170 0.000 1.213 194 W CA 0.991 58.406 57.345 0.117 0.000 1.251 194 W CB -0.030 29.473 29.460 0.073 0.000 1.136 194 W HN 0.230 nan 8.180 nan 0.000 0.526 195 M N 0.160 119.793 119.600 0.056 0.000 2.557 195 M HA -0.128 4.352 4.480 -0.001 0.000 0.259 195 M C 1.341 177.481 176.300 -0.267 0.000 1.086 195 M CA 0.971 56.219 55.300 -0.085 0.000 1.096 195 M CB -0.715 31.919 32.600 0.057 0.000 1.424 195 M HN -0.032 nan 8.290 nan 0.000 0.488 196 M N -0.729 118.732 119.600 -0.232 0.000 2.495 196 M HA 0.065 4.544 4.480 -0.001 0.000 0.237 196 M C 0.580 176.375 176.300 -0.841 0.000 1.131 196 M CA 0.244 55.357 55.300 -0.312 0.000 1.032 196 M CB -1.657 30.956 32.600 0.021 0.000 1.513 196 M HN 0.295 nan 8.290 nan 0.000 0.488 197 H N -1.450 117.060 119.070 -0.933 0.000 2.505 197 H HA 0.561 5.116 4.556 -0.001 0.000 0.355 197 H C -0.557 174.096 175.328 -1.126 0.000 1.179 197 H CA -0.559 54.927 56.048 -0.937 0.000 1.343 197 H CB 1.112 30.362 29.762 -0.854 0.000 1.501 197 H HN 0.001 nan 8.280 nan 0.000 0.569 198 S N 2.020 117.154 115.700 -0.942 0.000 2.599 198 S HA 0.479 4.948 4.470 -0.001 0.000 0.269 198 S C -0.687 173.749 174.600 -0.274 0.000 1.135 198 S CA -0.007 57.764 58.200 -0.715 0.000 1.027 198 S CB -0.139 62.705 63.200 -0.593 0.000 1.129 198 S HN 1.818 nan 8.310 nan 0.000 0.458 199 G N 4.910 113.648 108.800 -0.103 0.000 2.830 199 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.298 199 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.298 199 G C -0.642 174.337 174.900 0.131 0.000 1.031 199 G CA -0.082 45.009 45.100 -0.015 0.000 1.179 199 G HN 1.122 nan 8.290 nan 0.000 0.527 200 M N 0.261 120.028 119.600 0.278 0.000 2.528 200 M HA 0.810 5.290 4.480 -0.001 0.000 0.321 200 M C -0.206 176.270 176.300 0.293 0.000 1.153 200 M CA -1.064 54.383 55.300 0.246 0.000 0.951 200 M CB 2.477 35.124 32.600 0.080 0.000 1.705 200 M HN 0.319 nan 8.290 nan 0.000 0.451 201 E N 1.667 122.009 120.200 0.237 0.000 2.166 201 E HA 0.655 5.005 4.350 -0.001 0.000 0.275 201 E C -1.878 174.664 176.600 -0.097 0.000 0.941 201 E CA -0.758 55.681 56.400 0.065 0.000 0.784 201 E CB 1.894 31.650 29.700 0.094 0.000 1.115 201 E HN 0.648 nan 8.360 nan 0.000 0.399 202 V N 4.485 124.284 119.914 -0.192 0.000 2.760 202 V HA 0.251 4.371 4.120 -0.001 0.000 0.309 202 V C -0.629 175.351 176.094 -0.191 0.000 1.077 202 V CA -0.891 61.237 62.300 -0.288 0.000 0.910 202 V CB 2.179 33.623 31.823 -0.632 0.000 1.008 202 V HN 0.541 nan 8.190 nan 0.000 0.424 203 V N 6.116 125.938 119.914 -0.153 0.000 2.385 203 V HA 0.359 4.478 4.120 -0.001 0.000 0.269 203 V C 0.339 176.386 176.094 -0.078 0.000 1.043 203 V CA -0.241 62.000 62.300 -0.099 0.000 0.906 203 V CB 1.035 32.812 31.823 -0.077 0.000 0.995 203 V HN 0.600 nan 8.190 nan 0.000 0.467 204 L N 3.647 124.843 121.223 -0.044 0.000 2.476 204 L HA 0.284 4.623 4.340 -0.001 0.000 0.255 204 L C 1.947 178.818 176.870 0.002 0.000 1.218 204 L CA 0.089 54.930 54.840 0.001 0.000 0.819 204 L CB 0.315 42.389 42.059 0.025 0.000 1.119 204 L HN 0.706 nan 8.230 nan 0.000 0.485 205 A N 1.349 124.178 122.820 0.015 0.000 1.978 205 A HA -0.201 4.118 4.320 -0.001 0.000 0.220 205 A C 1.703 179.298 177.584 0.018 0.000 1.170 205 A CA 1.924 53.970 52.037 0.015 0.000 0.636 205 A CB -0.807 18.202 19.000 0.015 0.000 0.810 205 A HN 0.947 nan 8.150 nan 0.000 0.448 206 N N -1.199 117.509 118.700 0.014 0.000 2.515 206 N HA 0.207 4.947 4.740 -0.001 0.000 0.185 206 N C 1.074 176.588 175.510 0.007 0.000 1.109 206 N CA 1.391 54.449 53.050 0.012 0.000 0.903 206 N CB -0.469 38.024 38.487 0.010 0.000 0.969 206 N HN 0.858 nan 8.380 nan 0.000 0.450 207 G N -0.703 108.097 108.800 0.000 0.000 2.175 207 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.244 207 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.244 207 G C -0.520 174.367 174.900 -0.020 0.000 0.982 207 G CA 0.076 45.170 45.100 -0.010 0.000 0.641 207 G HN 0.508 nan 8.290 nan 0.000 0.527 208 E N 0.088 120.277 120.200 -0.018 0.000 2.313 208 E HA 0.531 4.881 4.350 -0.001 0.000 0.276 208 E C 0.515 177.092 176.600 -0.039 0.000 1.031 208 E CA -0.512 55.874 56.400 -0.024 0.000 0.857 208 E CB 1.283 30.976 29.700 -0.013 0.000 1.040 208 E HN 0.314 nan 8.360 nan 0.000 0.408 209 L N 3.708 124.899 121.223 -0.053 0.000 2.397 209 L HA 0.380 4.720 4.340 -0.001 0.000 0.271 209 L C -0.317 176.508 176.870 -0.075 0.000 1.148 209 L CA -0.123 54.671 54.840 -0.077 0.000 0.825 209 L CB 0.501 42.505 42.059 -0.091 0.000 1.117 209 L HN 0.397 nan 8.230 nan 0.000 0.456 210 L N 3.392 124.560 121.223 -0.092 0.000 2.472 210 L HA 0.596 4.936 4.340 -0.001 0.000 0.260 210 L C -1.391 175.422 176.870 -0.096 0.000 0.963 210 L CA -0.716 54.082 54.840 -0.069 0.000 0.829 210 L CB 1.659 43.707 42.059 -0.018 0.000 1.348 210 L HN 0.499 nan 8.230 nan 0.000 0.408 211 R N 2.146 122.602 120.500 -0.073 0.000 2.599 211 R HA 0.553 4.893 4.340 -0.001 0.000 0.295 211 R C -0.430 175.914 176.300 0.074 0.000 0.963 211 R CA -0.638 55.427 56.100 -0.058 0.000 0.883 211 R CB 1.572 31.713 30.300 -0.265 0.000 1.171 211 R HN 0.787 nan 8.270 nan 0.000 0.450 212 T N -1.794 112.861 114.554 0.169 0.000 2.862 212 T HA 0.635 4.984 4.350 -0.001 0.000 0.276 212 T C 0.957 175.787 174.700 0.216 0.000 0.974 212 T CA 0.301 62.526 62.100 0.209 0.000 0.966 212 T CB 1.542 70.565 68.868 0.258 0.000 1.072 212 T HN 0.760 nan 8.240 nan 0.000 0.538 213 G N 1.211 110.146 108.800 0.226 0.000 2.583 213 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.292 213 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.292 213 G C 0.882 175.884 174.900 0.170 0.000 1.203 213 G CA 0.387 45.600 45.100 0.188 0.000 0.987 213 G HN 0.755 nan 8.290 nan 0.000 0.554 214 M N 2.074 121.758 119.600 0.140 0.000 2.557 214 M HA 0.064 4.543 4.480 -0.001 0.000 0.259 214 M C 2.739 179.116 176.300 0.129 0.000 1.086 214 M CA 1.691 57.077 55.300 0.143 0.000 1.096 214 M CB -1.444 31.240 32.600 0.139 0.000 1.424 214 M HN 0.778 nan 8.290 nan 0.000 0.488 215 G N -0.140 108.766 108.800 0.175 0.000 2.535 215 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.218 215 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.218 215 G C 1.482 176.429 174.900 0.078 0.000 1.122 215 G CA 0.909 46.166 45.100 0.261 0.000 0.769 215 G HN 0.539 nan 8.290 nan 0.000 0.549 216 A N -0.434 122.440 122.820 0.089 0.000 2.169 216 A HA 0.380 4.700 4.320 -0.001 0.000 0.212 216 A C 1.051 178.661 177.584 0.043 0.000 1.153 216 A CA -0.031 52.038 52.037 0.052 0.000 0.756 216 A CB 0.036 19.089 19.000 0.088 0.000 0.813 216 A HN 0.316 nan 8.150 nan 0.000 0.471 217 L N 2.637 123.897 121.223 0.062 0.000 2.295 217 L HA 0.319 4.659 4.340 -0.001 0.000 0.288 217 L C -2.514 174.375 176.870 0.030 0.000 1.079 217 L CA -1.943 52.925 54.840 0.046 0.000 0.830 217 L CB 0.780 42.877 42.059 0.064 0.000 1.200 217 L HN 0.051 nan 8.230 nan 0.000 0.438 218 P HA 0.052 nan 4.420 nan 0.000 0.271 218 P C -0.742 176.566 177.300 0.013 0.000 1.218 218 P CA -0.392 62.704 63.100 -0.007 0.000 0.780 218 P CB 0.959 32.647 31.700 -0.020 0.000 0.901 219 D N 3.039 123.450 120.400 0.018 0.000 2.425 219 D HA 0.159 4.798 4.640 -0.001 0.000 0.247 219 D C -1.887 174.425 176.300 0.020 0.000 1.147 219 D CA -1.222 52.801 54.000 0.038 0.000 0.879 219 D CB -0.469 40.366 40.800 0.057 0.000 1.179 219 D HN 0.184 nan 8.370 nan 0.000 0.456 220 P HA 0.011 nan 4.420 nan 0.000 0.266 220 P C -0.433 176.874 177.300 0.012 0.000 1.193 220 P CA 0.031 63.139 63.100 0.013 0.000 0.770 220 P CB 0.423 32.132 31.700 0.015 0.000 0.836 221 K N 2.787 123.190 120.400 0.006 0.000 2.319 221 K HA 0.255 4.574 4.320 -0.001 0.000 0.265 221 K C 0.603 177.208 176.600 0.008 0.000 1.000 221 K CA 0.129 56.419 56.287 0.004 0.000 0.943 221 K CB 0.470 32.970 32.500 -0.000 0.000 0.950 221 K HN 0.614 nan 8.250 nan 0.000 0.485 222 R N 1.004 121.509 120.500 0.009 0.000 2.663 222 R HA 0.229 4.568 4.340 -0.001 0.000 0.267 222 R C -2.708 173.596 176.300 0.008 0.000 1.038 222 R CA -1.509 54.597 56.100 0.010 0.000 0.886 222 R CB 0.854 31.163 30.300 0.015 0.000 1.249 222 R HN 0.167 nan 8.270 nan 0.000 0.463 223 P HA -0.219 nan 4.420 nan 0.000 0.215 223 P C 0.338 177.642 177.300 0.007 0.000 1.163 223 P CA 1.520 64.623 63.100 0.006 0.000 0.894 223 P CB 0.163 31.867 31.700 0.005 0.000 0.791 224 E N -1.032 119.174 120.200 0.010 0.000 2.219 224 E HA -0.137 4.212 4.350 -0.001 0.000 0.198 224 E C 1.601 178.209 176.600 0.013 0.000 0.998 224 E CA 1.894 58.301 56.400 0.013 0.000 0.818 224 E CB -1.225 28.486 29.700 0.017 0.000 0.741 224 E HN 0.452 nan 8.360 nan 0.000 0.477 225 T N -2.815 111.747 114.554 0.013 0.000 3.044 225 T HA 0.232 4.582 4.350 -0.001 0.000 0.260 225 T C 0.538 175.240 174.700 0.002 0.000 1.019 225 T CA -0.466 61.640 62.100 0.011 0.000 0.921 225 T CB 0.092 68.969 68.868 0.016 0.000 1.053 225 T HN -0.164 nan 8.240 nan 0.000 0.533 226 M N 2.073 121.674 119.600 0.001 0.000 2.248 226 M HA 0.339 4.819 4.480 -0.001 0.000 0.345 226 M C 1.761 178.058 176.300 -0.006 0.000 1.243 226 M CA 1.131 56.429 55.300 -0.003 0.000 1.090 226 M CB -0.676 31.923 32.600 -0.002 0.000 1.683 226 M HN 0.635 nan 8.290 nan 0.000 0.450 227 G N 2.852 111.646 108.800 -0.010 0.000 2.162 227 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.260 227 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.260 227 G C 0.059 174.950 174.900 -0.014 0.000 0.976 227 G CA -0.150 44.943 45.100 -0.012 0.000 0.655 227 G HN 0.597 nan 8.290 nan 0.000 0.533 228 L N 0.742 121.956 121.223 -0.015 0.000 2.397 228 L HA 0.315 4.655 4.340 -0.001 0.000 0.271 228 L C 1.255 178.108 176.870 -0.029 0.000 1.148 228 L CA -0.509 54.320 54.840 -0.018 0.000 0.825 228 L CB 0.559 42.609 42.059 -0.016 0.000 1.117 228 L HN 0.048 nan 8.230 nan 0.000 0.456 229 K N 3.144 123.526 120.400 -0.031 0.000 2.380 229 K HA 0.037 4.357 4.320 -0.001 0.000 0.267 229 K C -1.595 174.972 176.600 -0.056 0.000 0.990 229 K CA -1.272 54.992 56.287 -0.039 0.000 0.946 229 K CB 0.429 32.907 32.500 -0.037 0.000 0.937 229 K HN 0.292 nan 8.250 nan 0.000 0.491 230 P HA -0.263 nan 4.420 nan 0.000 0.215 230 P C 1.173 178.396 177.300 -0.127 0.000 1.157 230 P CA 1.438 64.478 63.100 -0.100 0.000 0.874 230 P CB 0.051 31.694 31.700 -0.096 0.000 0.790 231 E N 0.081 120.220 120.200 -0.101 0.000 2.130 231 E HA -0.239 4.110 4.350 -0.001 0.000 0.196 231 E C 0.788 177.343 176.600 -0.076 0.000 0.998 231 E CA 1.654 57.996 56.400 -0.095 0.000 0.806 231 E CB -1.329 28.334 29.700 -0.062 0.000 0.738 231 E HN 0.283 nan 8.360 nan 0.000 0.459 232 D N 1.091 121.458 120.400 -0.054 0.000 2.340 232 D HA 0.043 4.683 4.640 -0.001 0.000 0.220 232 D C 0.190 176.475 176.300 -0.024 0.000 1.039 232 D CA 0.199 54.186 54.000 -0.023 0.000 0.866 232 D CB 0.051 40.843 40.800 -0.013 0.000 0.913 232 D HN 0.337 nan 8.370 nan 0.000 0.523 233 Q N 1.723 121.480 119.800 -0.072 0.000 2.340 233 Q HA 0.215 4.555 4.340 -0.001 0.000 0.249 233 Q C -1.975 173.998 176.000 -0.043 0.000 0.957 233 Q CA -1.409 54.356 55.803 -0.064 0.000 0.882 233 Q CB 0.699 29.376 28.738 -0.103 0.000 1.235 233 Q HN 0.082 nan 8.270 nan 0.000 0.439 234 P HA 0.035 nan 4.420 nan 0.000 0.275 234 P C -1.211 176.194 177.300 0.174 0.000 1.270 234 P CA -0.074 63.135 63.100 0.180 0.000 0.791 234 P CB 0.519 32.308 31.700 0.148 0.000 1.089 235 W N -0.739 120.608 121.300 0.078 0.000 2.647 235 W HA 0.394 5.054 4.660 -0.001 0.000 0.353 235 W C 0.500 177.035 176.519 0.025 0.000 1.080 235 W CA -0.299 57.073 57.345 0.045 0.000 1.208 235 W CB 0.504 30.002 29.460 0.064 0.000 1.396 235 W HN 0.286 nan 8.180 nan 0.000 0.573 236 S N 1.020 116.853 115.700 0.223 0.000 2.585 236 S HA 0.119 4.589 4.470 -0.001 0.000 0.273 236 S C 1.199 175.870 174.600 0.117 0.000 1.339 236 S CA -0.303 57.977 58.200 0.133 0.000 1.028 236 S CB 1.012 64.264 63.200 0.085 0.000 0.906 236 S HN 0.645 nan 8.310 nan 0.000 0.528 237 K N 1.036 121.494 120.400 0.096 0.000 2.144 237 K HA -0.185 4.135 4.320 -0.001 0.000 0.209 237 K C 1.110 177.746 176.600 0.059 0.000 1.047 237 K CA 1.700 58.041 56.287 0.090 0.000 0.927 237 K CB -0.641 31.902 32.500 0.073 0.000 0.716 237 K HN 0.622 nan 8.250 nan 0.000 0.454 238 I N 1.063 121.655 120.570 0.037 0.000 3.793 238 I HA 0.101 4.271 4.170 -0.001 0.000 0.315 238 I C 2.329 178.428 176.117 -0.030 0.000 1.275 238 I CA 0.328 61.643 61.300 0.026 0.000 1.214 238 I CB -0.997 37.036 38.000 0.054 0.000 1.018 238 I HN 0.231 nan 8.210 nan 0.000 0.439 239 A N 1.302 124.044 122.820 -0.129 0.000 1.884 239 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 239 A C 1.647 178.860 177.584 -0.618 0.000 1.197 239 A CA 1.840 53.668 52.037 -0.348 0.000 0.637 239 A CB -1.101 17.605 19.000 -0.489 0.000 0.827 239 A HN 0.578 nan 8.150 nan 0.000 0.450 240 H N -1.359 117.476 119.070 -0.390 0.000 2.537 240 H HA 0.494 5.050 4.556 -0.001 0.000 0.295 240 H C 0.955 176.136 175.328 -0.245 0.000 1.054 240 H CA -0.028 55.664 56.048 -0.593 0.000 1.156 240 H CB 0.168 29.138 29.762 -1.321 0.000 1.468 240 H HN 0.372 nan 8.280 nan 0.000 0.551 241 L N -1.202 120.038 121.223 0.029 0.000 2.730 241 L HA 0.224 4.564 4.340 -0.001 0.000 0.236 241 L C -0.383 176.659 176.870 0.287 0.000 1.061 241 L CA 0.028 54.969 54.840 0.169 0.000 0.898 241 L CB 0.791 42.889 42.059 0.065 0.000 1.270 241 L HN 0.143 nan 8.230 nan 0.000 0.500 242 F N 2.494 122.466 119.950 0.038 0.000 2.539 242 F HA 0.487 5.013 4.527 -0.001 0.000 0.328 242 F C -2.310 173.432 175.800 -0.096 0.000 1.148 242 F CA -2.482 55.498 58.000 -0.033 0.000 0.940 242 F CB 1.839 40.806 39.000 -0.056 0.000 1.194 242 F HN -0.254 nan 8.300 nan 0.000 0.438 243 P HA -0.063 nan 4.420 nan 0.000 0.235 243 P C 0.925 177.918 177.300 -0.511 0.000 1.177 243 P CA 1.031 63.811 63.100 -0.533 0.000 0.785 243 P CB 0.142 31.427 31.700 -0.692 0.000 0.885 244 Y N 0.728 120.387 120.300 -1.069 0.000 2.337 244 Y HA 0.152 4.702 4.550 -0.001 0.000 0.293 244 Y C 2.257 177.955 175.900 -0.337 0.000 1.123 244 Y CA 0.422 57.953 58.100 -0.949 0.000 1.201 244 Y CB -1.393 36.414 38.460 -1.088 0.000 1.011 244 Y HN 0.063 nan 8.280 nan 0.000 0.545 245 G N 0.552 109.365 108.800 0.022 0.000 2.583 245 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.292 245 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.292 245 G C -0.462 174.676 174.900 0.397 0.000 1.203 245 G CA 0.442 45.717 45.100 0.292 0.000 0.987 245 G HN 0.365 nan 8.290 nan 0.000 0.554 246 F N 0.827 120.872 119.950 0.160 0.000 2.603 246 F HA 0.632 5.158 4.527 -0.001 0.000 0.317 246 F C 0.790 176.650 175.800 0.100 0.000 1.066 246 F CA 1.349 59.426 58.000 0.128 0.000 0.941 246 F CB 1.478 40.544 39.000 0.110 0.000 1.291 246 F HN 2.396 nan 8.300 nan 0.000 0.472 247 G N 3.106 111.318 108.800 -0.979 0.000 2.698 247 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.233 247 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.233 247 G C -2.739 172.040 174.900 -0.201 0.000 1.352 247 G CA -0.764 44.002 45.100 -0.557 0.000 0.879 247 G HN 0.688 nan 8.290 nan 0.000 0.567 248 P HA 0.222 nan 4.420 nan 0.000 0.261 248 P C -0.596 176.769 177.300 0.108 0.000 1.173 248 P CA 0.267 63.368 63.100 0.002 0.000 0.760 248 P CB 0.144 31.850 31.700 0.011 0.000 0.783 249 Y N 4.790 125.071 120.300 -0.031 0.000 2.676 249 Y HA 0.262 4.812 4.550 -0.001 0.000 0.338 249 Y C 1.098 177.039 175.900 0.069 0.000 1.057 249 Y CA -1.132 56.987 58.100 0.030 0.000 1.314 249 Y CB -0.439 38.021 38.460 0.001 0.000 1.164 249 Y HN 0.343 nan 8.280 nan 0.000 0.509 250 I N -0.433 120.127 120.570 -0.017 0.000 3.684 250 I HA 0.089 4.258 4.170 -0.001 0.000 0.304 250 I C 0.856 176.881 176.117 -0.152 0.000 1.278 250 I CA 0.462 61.698 61.300 -0.107 0.000 1.272 250 I CB 0.116 38.105 38.000 -0.017 0.000 1.029 250 I HN 0.228 nan 8.210 nan 0.000 0.458 251 D N 2.755 123.052 120.400 -0.172 0.000 2.116 251 D HA -0.165 4.475 4.640 -0.001 0.000 0.193 251 D C 2.374 178.795 176.300 0.201 0.000 0.998 251 D CA 2.031 56.104 54.000 0.123 0.000 0.836 251 D CB -0.488 40.354 40.800 0.070 0.000 0.951 251 D HN 0.523 nan 8.370 nan 0.000 0.449 252 G N 0.355 109.156 108.800 0.002 0.000 2.470 252 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.220 252 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.220 252 G C 1.475 176.205 174.900 -0.283 0.000 1.121 252 G CA 0.195 45.222 45.100 -0.122 0.000 0.766 252 G HN 0.268 nan 8.290 nan 0.000 0.553 253 L N -0.702 120.301 121.223 -0.367 0.000 2.353 253 L HA 0.020 4.359 4.340 -0.001 0.000 0.220 253 L C 1.717 178.266 176.870 -0.535 0.000 1.133 253 L CA 0.531 55.066 54.840 -0.509 0.000 0.798 253 L CB -0.294 41.325 42.059 -0.732 0.000 0.922 253 L HN 0.154 nan 8.230 nan 0.000 0.445 254 F N -0.686 119.154 119.950 -0.184 0.000 2.727 254 F HA 0.083 4.610 4.527 -0.001 0.000 0.302 254 F C 1.357 176.965 175.800 -0.320 0.000 1.097 254 F CA -0.614 57.273 58.000 -0.189 0.000 1.330 254 F CB -0.194 38.758 39.000 -0.080 0.000 1.084 254 F HN -0.058 nan 8.300 nan 0.000 0.578 255 S N -0.291 115.169 115.700 -0.400 0.000 2.451 255 S HA 0.361 4.830 4.470 -0.001 0.000 0.301 255 S C 0.123 174.479 174.600 -0.407 0.000 1.116 255 S CA -0.559 57.283 58.200 -0.597 0.000 1.093 255 S CB 1.526 63.942 63.200 -1.306 0.000 1.017 255 S HN 0.333 nan 8.310 nan 0.000 0.482 256 Q N 0.104 119.712 119.800 -0.321 0.000 2.463 256 Q HA -0.186 4.154 4.340 -0.001 0.000 0.299 256 Q C -0.083 175.777 176.000 -0.233 0.000 1.353 256 Q CA 0.992 56.635 55.803 -0.267 0.000 0.828 256 Q CB -2.225 26.348 28.738 -0.275 0.000 1.157 256 Q HN 1.081 nan 8.270 nan 0.000 0.436 257 S N -0.818 114.747 115.700 -0.225 0.000 2.720 257 S HA 0.685 5.155 4.470 -0.001 0.000 0.287 257 S C -0.033 174.443 174.600 -0.207 0.000 1.168 257 S CA -0.326 57.751 58.200 -0.204 0.000 0.832 257 S CB 1.354 64.437 63.200 -0.195 0.000 1.166 257 S HN 0.290 nan 8.310 nan 0.000 0.493 258 N N -0.338 118.248 118.700 -0.190 0.000 2.291 258 N HA 0.224 4.963 4.740 -0.001 0.000 0.244 258 N C 0.454 175.897 175.510 -0.112 0.000 1.216 258 N CA -0.406 52.532 53.050 -0.188 0.000 0.879 258 N CB 0.030 38.388 38.487 -0.215 0.000 1.167 258 N HN 0.494 nan 8.380 nan 0.000 0.515 259 M N -0.355 119.208 119.600 -0.061 0.000 2.561 259 M HA 0.340 4.819 4.480 -0.001 0.000 0.238 259 M C 0.520 176.928 176.300 0.181 0.000 1.131 259 M CA 0.246 55.549 55.300 0.006 0.000 1.046 259 M CB -0.224 32.302 32.600 -0.124 0.000 1.532 259 M HN 0.331 nan 8.290 nan 0.000 0.497 260 G N 0.475 109.355 108.800 0.134 0.000 2.356 260 G HA2 0.493 4.453 3.960 -0.001 0.000 0.294 260 G HA3 0.493 4.453 3.960 -0.001 0.000 0.294 260 G C -1.669 173.186 174.900 -0.075 0.000 1.423 260 G CA -0.866 44.265 45.100 0.051 0.000 0.806 260 G HN 0.120 nan 8.290 nan 0.000 0.527 261 I N 1.127 121.622 120.570 -0.124 0.000 2.355 261 I HA 0.325 4.495 4.170 -0.001 0.000 0.288 261 I C -0.050 175.970 176.117 -0.163 0.000 0.999 261 I CA -0.967 60.251 61.300 -0.137 0.000 1.163 261 I CB 1.821 39.755 38.000 -0.110 0.000 1.316 261 I HN 0.138 nan 8.210 nan 0.000 0.454 262 V N 5.798 125.617 119.914 -0.158 0.000 2.427 262 V HA 0.066 4.186 4.120 -0.001 0.000 0.268 262 V C 1.286 177.324 176.094 -0.095 0.000 1.046 262 V CA 0.098 62.311 62.300 -0.145 0.000 0.970 262 V CB 0.926 32.681 31.823 -0.112 0.000 1.001 262 V HN 0.931 nan 8.190 nan 0.000 0.476 263 T N 1.601 116.110 114.554 -0.074 0.000 3.015 263 T HA 0.295 4.645 4.350 -0.001 0.000 0.250 263 T C 0.462 175.161 174.700 -0.001 0.000 1.057 263 T CA 0.089 62.164 62.100 -0.042 0.000 1.066 263 T CB 0.310 69.154 68.868 -0.041 0.000 0.959 263 T HN 0.552 nan 8.240 nan 0.000 0.488 264 K N -0.038 120.386 120.400 0.040 0.000 2.551 264 K HA 0.741 5.060 4.320 -0.001 0.000 0.269 264 K C -1.893 174.749 176.600 0.070 0.000 0.949 264 K CA -0.782 55.557 56.287 0.086 0.000 0.849 264 K CB 2.951 35.610 32.500 0.265 0.000 1.411 264 K HN 0.152 nan 8.250 nan 0.000 0.432 265 I N 0.016 120.572 120.570 -0.023 0.000 2.841 265 I HA 0.463 4.632 4.170 -0.001 0.000 0.298 265 I C -1.113 174.874 176.117 -0.217 0.000 1.304 265 I CA -0.505 60.749 61.300 -0.077 0.000 1.019 265 I CB 2.172 40.132 38.000 -0.065 0.000 1.282 265 I HN 0.743 nan 8.210 nan 0.000 0.432 266 G N 7.213 115.852 108.800 -0.269 0.000 2.343 266 G HA2 0.639 4.598 3.960 -0.001 0.000 0.319 266 G HA3 0.639 4.598 3.960 -0.001 0.000 0.319 266 G C -1.047 173.684 174.900 -0.281 0.000 1.126 266 G CA -0.309 44.560 45.100 -0.385 0.000 0.889 266 G HN 0.315 nan 8.290 nan 0.000 0.457 267 I N 2.262 122.721 120.570 -0.185 0.000 2.447 267 I HA 0.273 4.443 4.170 -0.001 0.000 0.287 267 I C -0.726 175.446 176.117 0.091 0.000 1.023 267 I CA -1.486 59.736 61.300 -0.131 0.000 1.083 267 I CB 1.488 39.438 38.000 -0.084 0.000 1.245 267 I HN 0.450 nan 8.210 nan 0.000 0.434 268 W N 6.628 127.964 121.300 0.060 0.000 2.223 268 W HA 0.266 4.925 4.660 -0.001 0.000 0.334 268 W C -0.060 176.609 176.519 0.250 0.000 1.334 268 W CA -0.364 57.081 57.345 0.167 0.000 1.246 268 W CB 0.120 29.663 29.460 0.139 0.000 1.184 268 W HN 0.250 nan 8.180 nan 0.000 0.563 269 L N 4.660 126.104 121.223 0.368 0.000 2.346 269 L HA 0.426 4.765 4.340 -0.001 0.000 0.276 269 L C 0.268 177.005 176.870 -0.222 0.000 1.006 269 L CA -1.103 53.777 54.840 0.066 0.000 0.817 269 L CB 1.807 43.889 42.059 0.038 0.000 1.272 269 L HN 0.266 nan 8.230 nan 0.000 0.421 270 M N 4.453 123.597 119.600 -0.760 0.000 2.219 270 M HA 0.268 4.748 4.480 -0.001 0.000 0.353 270 M C -2.259 173.815 176.300 -0.378 0.000 1.304 270 M CA -1.228 53.552 55.300 -0.865 0.000 1.115 270 M CB 1.189 33.208 32.600 -0.968 0.000 1.664 270 M HN 0.202 nan 8.290 nan 0.000 0.459 271 P HA -0.013 nan 4.420 nan 0.000 0.269 271 P C -0.964 176.066 177.300 -0.450 0.000 1.209 271 P CA -0.197 62.743 63.100 -0.266 0.000 0.776 271 P CB 0.302 31.885 31.700 -0.194 0.000 0.876 272 N N 4.394 122.782 118.700 -0.520 0.000 2.359 272 N HA -0.066 4.674 4.740 -0.001 0.000 0.261 272 N C -1.204 173.926 175.510 -0.634 0.000 1.267 272 N CA -0.770 51.742 53.050 -0.898 0.000 0.864 272 N CB 0.173 38.355 38.487 -0.508 0.000 1.063 272 N HN 0.279 nan 8.380 nan 0.000 0.474 273 P HA 0.072 nan 4.420 nan 0.000 0.233 273 P C 0.395 177.572 177.300 -0.205 0.000 1.167 273 P CA 0.701 63.587 63.100 -0.356 0.000 0.770 273 P CB 0.016 31.574 31.700 -0.238 0.000 0.837 274 G N -0.536 108.137 108.800 -0.212 0.000 2.256 274 G HA2 0.084 4.044 3.960 -0.001 0.000 0.272 274 G HA3 0.084 4.044 3.960 -0.001 0.000 0.272 274 G C 0.317 175.197 174.900 -0.033 0.000 1.076 274 G CA -0.195 44.850 45.100 -0.092 0.000 0.882 274 G HN 0.785 nan 8.290 nan 0.000 0.497 275 G N -1.484 107.315 108.800 -0.000 0.000 2.220 275 G HA2 0.591 4.551 3.960 -0.001 0.000 0.232 275 G HA3 0.591 4.551 3.960 -0.001 0.000 0.232 275 G C -1.216 173.761 174.900 0.129 0.000 1.680 275 G CA 0.069 45.199 45.100 0.049 0.000 0.922 275 G HN 1.806 nan 8.290 nan 0.000 0.723 276 Y N 1.406 121.676 120.300 -0.049 0.000 2.519 276 Y HA 0.777 5.327 4.550 -0.001 0.000 0.336 276 Y C -1.028 174.741 175.900 -0.218 0.000 1.089 276 Y CA -1.182 56.849 58.100 -0.116 0.000 1.025 276 Y CB 2.811 41.344 38.460 0.121 0.000 1.318 276 Y HN 0.799 nan 8.280 nan 0.000 0.452 277 Q N 3.667 122.844 119.800 -1.038 0.000 2.334 277 Q HA 0.460 4.800 4.340 -0.001 0.000 0.249 277 Q C -1.408 173.928 176.000 -1.106 0.000 0.909 277 Q CA -0.503 54.666 55.803 -1.055 0.000 0.823 277 Q CB 1.511 29.700 28.738 -0.916 0.000 1.353 277 Q HN 0.739 nan 8.270 nan 0.000 0.433 278 S N 2.480 117.556 115.700 -1.040 0.000 2.624 278 S HA 0.838 5.308 4.470 -0.001 0.000 0.263 278 S C -0.427 173.952 174.600 -0.368 0.000 1.287 278 S CA -0.064 57.762 58.200 -0.624 0.000 0.990 278 S CB 0.632 63.609 63.200 -0.371 0.000 0.950 278 S HN 0.830 nan 8.310 nan 0.000 0.561 279 Y N -1.815 118.348 120.300 -0.229 0.000 2.702 279 Y HA 0.740 5.290 4.550 -0.001 0.000 0.336 279 Y C -1.848 174.028 175.900 -0.040 0.000 1.203 279 Y CA -1.671 56.395 58.100 -0.056 0.000 1.072 279 Y CB 0.714 39.105 38.460 -0.114 0.000 1.327 279 Y HN 0.792 nan 8.280 nan 0.000 0.456 280 L N 2.930 124.316 121.223 0.272 0.000 2.438 280 L HA 0.781 5.121 4.340 -0.001 0.000 0.270 280 L C -1.979 175.030 176.870 0.232 0.000 0.972 280 L CA -0.813 54.016 54.840 -0.018 0.000 0.831 280 L CB 1.817 43.766 42.059 -0.183 0.000 1.273 280 L HN 0.714 nan 8.230 nan 0.000 0.405 281 I N 4.256 124.897 120.570 0.118 0.000 2.411 281 I HA 0.348 4.518 4.170 -0.001 0.000 0.284 281 I C -0.088 176.048 176.117 0.033 0.000 1.012 281 I CA -0.567 60.767 61.300 0.056 0.000 1.119 281 I CB 1.929 39.927 38.000 -0.002 0.000 1.261 281 I HN 0.711 nan 8.210 nan 0.000 0.448 282 T N 5.089 119.658 114.554 0.025 0.000 2.817 282 T HA 0.656 5.006 4.350 -0.001 0.000 0.293 282 T C -0.391 174.333 174.700 0.040 0.000 0.964 282 T CA -0.626 61.508 62.100 0.056 0.000 1.085 282 T CB 1.015 69.942 68.868 0.099 0.000 0.921 282 T HN 0.351 nan 8.240 nan 0.000 0.502 283 L N 4.697 125.980 121.223 0.102 0.000 2.316 283 L HA 0.358 4.697 4.340 -0.001 0.000 0.280 283 L C -1.862 175.076 176.870 0.113 0.000 1.006 283 L CA -2.522 52.390 54.840 0.120 0.000 0.836 283 L CB 1.816 43.992 42.059 0.194 0.000 1.221 283 L HN 0.369 nan 8.230 nan 0.000 0.418 284 P HA -0.140 nan 4.420 nan 0.000 0.214 284 P C -0.076 177.268 177.300 0.073 0.000 1.163 284 P CA 1.360 64.493 63.100 0.055 0.000 0.889 284 P CB 0.227 31.948 31.700 0.036 0.000 0.790 285 K N -0.255 120.208 120.400 0.105 0.000 2.110 285 K HA 0.072 4.391 4.320 -0.001 0.000 0.263 285 K C 0.668 177.415 176.600 0.246 0.000 0.975 285 K CA -0.388 55.976 56.287 0.129 0.000 0.895 285 K CB 0.803 33.362 32.500 0.099 0.000 1.060 285 K HN -0.146 nan 8.250 nan 0.000 0.448 286 D N 2.239 122.785 120.400 0.244 0.000 2.149 286 D HA -0.156 4.484 4.640 -0.001 0.000 0.194 286 D C 1.489 178.078 176.300 0.481 0.000 1.001 286 D CA 1.809 56.066 54.000 0.428 0.000 0.849 286 D CB 0.004 41.005 40.800 0.336 0.000 0.939 286 D HN 0.827 nan 8.370 nan 0.000 0.449 287 G N -0.733 108.220 108.800 0.255 0.000 2.744 287 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.211 287 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.211 287 G C 1.187 176.115 174.900 0.046 0.000 1.143 287 G CA 0.269 45.456 45.100 0.146 0.000 0.788 287 G HN 0.197 nan 8.290 nan 0.000 0.534 288 D N 0.182 120.623 120.400 0.067 0.000 2.312 288 D HA -0.059 4.581 4.640 -0.001 0.000 0.211 288 D C 2.340 178.532 176.300 -0.180 0.000 0.964 288 D CA 0.026 54.015 54.000 -0.019 0.000 0.877 288 D CB 0.126 40.960 40.800 0.056 0.000 0.924 288 D HN 0.253 nan 8.370 nan 0.000 0.515 289 L N 1.915 122.901 121.223 -0.395 0.000 1.991 289 L HA -0.304 4.035 4.340 -0.001 0.000 0.221 289 L C 2.253 178.853 176.870 -0.449 0.000 1.079 289 L CA 2.113 56.524 54.840 -0.716 0.000 0.778 289 L CB -0.637 40.740 42.059 -1.137 0.000 0.893 289 L HN -0.136 nan 8.230 nan 0.000 0.437 290 K N -0.512 119.708 120.400 -0.300 0.000 2.059 290 K HA -0.308 4.011 4.320 -0.001 0.000 0.212 290 K C 2.250 178.716 176.600 -0.224 0.000 1.050 290 K CA 2.417 58.569 56.287 -0.226 0.000 0.927 290 K CB -0.597 31.826 32.500 -0.128 0.000 0.714 290 K HN 0.613 nan 8.250 nan 0.000 0.447 291 Q N -0.694 118.987 119.800 -0.198 0.000 2.119 291 Q HA -0.046 4.293 4.340 -0.001 0.000 0.201 291 Q C 1.913 177.732 176.000 -0.302 0.000 0.972 291 Q CA 1.429 57.106 55.803 -0.209 0.000 0.847 291 Q CB -0.275 28.363 28.738 -0.166 0.000 0.903 291 Q HN 0.457 nan 8.270 nan 0.000 0.433 292 A N -0.111 122.508 122.820 -0.334 0.000 1.877 292 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 292 A C 2.194 179.504 177.584 -0.456 0.000 1.186 292 A CA 1.647 53.417 52.037 -0.446 0.000 0.620 292 A CB -0.824 18.007 19.000 -0.281 0.000 0.822 292 A HN 0.300 nan 8.150 nan 0.000 0.443 293 V N 0.606 120.283 119.914 -0.396 0.000 2.343 293 V HA -0.244 3.876 4.120 -0.001 0.000 0.247 293 V C 2.146 178.069 176.094 -0.285 0.000 1.051 293 V CA 2.240 64.324 62.300 -0.360 0.000 1.036 293 V CB -0.954 30.618 31.823 -0.419 0.000 0.654 293 V HN 0.455 nan 8.190 nan 0.000 0.451 294 D N 0.062 120.304 120.400 -0.264 0.000 2.149 294 D HA -0.132 4.507 4.640 -0.001 0.000 0.198 294 D C 2.026 178.189 176.300 -0.228 0.000 0.990 294 D CA 1.352 55.227 54.000 -0.208 0.000 0.839 294 D CB -0.161 40.530 40.800 -0.181 0.000 0.948 294 D HN 0.415 nan 8.370 nan 0.000 0.460 295 I N 0.220 120.590 120.570 -0.334 0.000 2.286 295 I HA -0.171 3.998 4.170 -0.001 0.000 0.245 295 I C 2.252 178.178 176.117 -0.318 0.000 1.104 295 I CA 0.501 61.562 61.300 -0.399 0.000 1.397 295 I CB -0.005 37.574 38.000 -0.702 0.000 1.072 295 I HN -0.049 nan 8.210 nan 0.000 0.417 296 I N 0.299 120.674 120.570 -0.325 0.000 2.264 296 I HA -0.328 3.841 4.170 -0.001 0.000 0.248 296 I C 2.720 178.805 176.117 -0.054 0.000 1.111 296 I CA 1.087 62.302 61.300 -0.141 0.000 1.382 296 I CB -0.459 37.449 38.000 -0.154 0.000 1.060 296 I HN 0.217 nan 8.210 nan 0.000 0.418 297 R N 1.275 121.721 120.500 -0.089 0.000 2.154 297 R HA -0.216 4.124 4.340 -0.001 0.000 0.236 297 R C -0.365 175.924 176.300 -0.017 0.000 1.121 297 R CA 2.741 58.811 56.100 -0.049 0.000 0.915 297 R CB -1.536 28.721 30.300 -0.072 0.000 0.856 297 R HN 0.241 nan 8.270 nan 0.000 0.431 298 P HA -0.143 nan 4.420 nan 0.000 0.217 298 P C 1.485 178.797 177.300 0.020 0.000 1.150 298 P CA 1.451 64.546 63.100 -0.009 0.000 0.832 298 P CB -0.162 31.522 31.700 -0.027 0.000 0.787 299 L N -0.775 120.468 121.223 0.034 0.000 2.093 299 L HA -0.063 4.276 4.340 -0.001 0.000 0.208 299 L C 3.070 180.011 176.870 0.118 0.000 1.085 299 L CA 1.282 56.174 54.840 0.086 0.000 0.755 299 L CB -0.833 41.308 42.059 0.137 0.000 0.904 299 L HN -0.068 nan 8.230 nan 0.000 0.435 300 R N 0.231 120.800 120.500 0.115 0.000 2.075 300 R HA -0.125 4.214 4.340 -0.001 0.000 0.232 300 R C 2.178 178.530 176.300 0.087 0.000 1.126 300 R CA 1.171 57.346 56.100 0.123 0.000 0.963 300 R CB -0.264 30.108 30.300 0.121 0.000 0.858 300 R HN 0.083 nan 8.270 nan 0.000 0.435 301 L N -0.233 121.025 121.223 0.060 0.000 2.083 301 L HA 0.055 4.395 4.340 -0.001 0.000 0.209 301 L C 1.966 178.865 176.870 0.048 0.000 1.083 301 L CA 2.231 57.099 54.840 0.046 0.000 0.752 301 L CB -1.111 40.965 42.059 0.030 0.000 0.899 301 L HN 0.452 nan 8.230 nan 0.000 0.433 302 G N -2.794 106.037 108.800 0.051 0.000 3.042 302 G HA2 0.115 4.075 3.960 -0.001 0.000 0.212 302 G HA3 0.115 4.075 3.960 -0.001 0.000 0.212 302 G C 0.894 175.833 174.900 0.065 0.000 1.166 302 G CA 0.049 45.178 45.100 0.049 0.000 0.767 302 G HN 0.334 nan 8.290 nan 0.000 0.546 303 M N -0.943 118.707 119.600 0.083 0.000 2.732 303 M HA -0.253 4.226 4.480 -0.001 0.000 0.207 303 M C 1.646 178.021 176.300 0.125 0.000 0.513 303 M CA 0.349 55.711 55.300 0.102 0.000 0.652 303 M CB -1.545 31.102 32.600 0.079 0.000 2.410 303 M HN 0.297 nan 8.290 nan 0.000 0.660 304 A N -0.261 122.642 122.820 0.137 0.000 1.970 304 A HA 0.236 4.556 4.320 -0.001 0.000 0.216 304 A C 0.927 178.654 177.584 0.237 0.000 1.170 304 A CA 0.729 52.866 52.037 0.166 0.000 0.645 304 A CB 0.182 19.270 19.000 0.147 0.000 0.816 304 A HN 0.524 nan 8.150 nan 0.000 0.447 305 L N 0.699 122.072 121.223 0.250 0.000 2.270 305 L HA 0.210 4.549 4.340 -0.001 0.000 0.286 305 L C 0.938 177.961 176.870 0.255 0.000 1.059 305 L CA -0.299 54.730 54.840 0.316 0.000 0.839 305 L CB 1.127 43.403 42.059 0.362 0.000 1.221 305 L HN 0.398 nan 8.230 nan 0.000 0.431 306 Q N 1.265 121.235 119.800 0.284 0.000 2.163 306 Q HA -0.060 4.280 4.340 -0.001 0.000 0.198 306 Q C 0.841 176.932 176.000 0.152 0.000 0.954 306 Q CA 0.819 56.752 55.803 0.218 0.000 0.851 306 Q CB 0.277 29.196 28.738 0.301 0.000 0.928 306 Q HN 0.760 nan 8.270 nan 0.000 0.459 307 N N -0.661 118.173 118.700 0.225 0.000 2.818 307 N HA 0.130 4.870 4.740 -0.001 0.000 0.312 307 N C -0.437 175.170 175.510 0.162 0.000 1.368 307 N CA -0.479 52.671 53.050 0.166 0.000 0.817 307 N CB 0.169 38.843 38.487 0.312 0.000 1.116 307 N HN -0.195 nan 8.380 nan 0.000 0.519 308 V N 1.804 121.820 119.914 0.170 0.000 2.275 308 V HA 0.388 4.507 4.120 -0.001 0.000 0.272 308 V C -2.256 173.989 176.094 0.251 0.000 1.028 308 V CA -1.226 61.175 62.300 0.168 0.000 0.810 308 V CB 0.620 32.484 31.823 0.068 0.000 1.043 308 V HN 0.612 nan 8.190 nan 0.000 0.453 309 P HA 0.415 nan 4.420 nan 0.000 0.279 309 P C -0.307 177.089 177.300 0.159 0.000 1.252 309 P CA -0.055 63.100 63.100 0.092 0.000 0.811 309 P CB 1.419 33.156 31.700 0.062 0.000 1.035 310 T N -1.610 112.979 114.554 0.060 0.000 2.924 310 T HA 0.706 5.056 4.350 -0.001 0.000 0.291 310 T C -0.046 174.861 174.700 0.345 0.000 1.045 310 T CA -0.858 61.346 62.100 0.173 0.000 1.015 310 T CB 0.857 69.719 68.868 -0.010 0.000 1.103 310 T HN 0.221 nan 8.240 nan 0.000 0.496 311 I N 1.965 122.785 120.570 0.416 0.000 2.428 311 I HA 0.370 4.540 4.170 -0.001 0.000 0.279 311 I C 0.220 176.653 176.117 0.526 0.000 1.040 311 I CA -0.846 60.767 61.300 0.521 0.000 1.171 311 I CB 0.764 39.023 38.000 0.430 0.000 1.312 311 I HN 0.420 nan 8.210 nan 0.000 0.470 312 R N 3.665 124.436 120.500 0.453 0.000 2.297 312 R HA 0.306 4.646 4.340 -0.001 0.000 0.308 312 R C 0.233 176.692 176.300 0.265 0.000 1.029 312 R CA -0.700 55.578 56.100 0.298 0.000 0.929 312 R CB 1.010 31.399 30.300 0.148 0.000 1.046 312 R HN 0.502 nan 8.270 nan 0.000 0.461 313 H N 3.748 122.795 119.070 -0.037 0.000 2.815 313 H HA -0.043 4.513 4.556 -0.001 0.000 0.350 313 H C 1.174 176.283 175.328 -0.366 0.000 1.080 313 H CA 0.056 55.789 56.048 -0.525 0.000 1.433 313 H CB 0.986 30.488 29.762 -0.433 0.000 1.432 313 H HN 0.526 nan 8.280 nan 0.000 0.592 314 I N 5.032 125.061 120.570 -0.902 0.000 2.194 314 I HA -0.290 3.880 4.170 -0.001 0.000 0.246 314 I C 2.235 178.122 176.117 -0.383 0.000 1.093 314 I CA 1.194 62.182 61.300 -0.520 0.000 1.355 314 I CB -0.476 37.218 38.000 -0.511 0.000 1.046 314 I HN 0.709 nan 8.210 nan 0.000 0.413 315 L N -0.294 120.745 121.223 -0.306 0.000 2.265 315 L HA -0.226 4.113 4.340 -0.001 0.000 0.215 315 L C 2.426 179.028 176.870 -0.445 0.000 1.117 315 L CA 0.494 55.101 54.840 -0.389 0.000 0.782 315 L CB -0.540 41.270 42.059 -0.414 0.000 0.914 315 L HN 0.281 nan 8.230 nan 0.000 0.441 316 L N 0.012 121.040 121.223 -0.325 0.000 2.005 316 L HA -0.200 4.140 4.340 -0.001 0.000 0.207 316 L C 2.047 178.795 176.870 -0.203 0.000 1.072 316 L CA 1.910 56.531 54.840 -0.365 0.000 0.744 316 L CB -0.574 41.283 42.059 -0.337 0.000 0.895 316 L HN 0.154 nan 8.230 nan 0.000 0.433 317 D N -0.188 120.123 120.400 -0.149 0.000 2.097 317 D HA -0.163 4.476 4.640 -0.001 0.000 0.195 317 D C 2.205 178.480 176.300 -0.042 0.000 0.989 317 D CA 1.600 55.559 54.000 -0.069 0.000 0.827 317 D CB -0.314 40.467 40.800 -0.031 0.000 0.966 317 D HN 0.464 nan 8.370 nan 0.000 0.456 318 A N 1.001 123.742 122.820 -0.131 0.000 1.908 318 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 318 A C 2.300 179.948 177.584 0.107 0.000 1.181 318 A CA 2.490 54.457 52.037 -0.117 0.000 0.627 318 A CB -0.807 17.915 19.000 -0.463 0.000 0.818 318 A HN 0.249 nan 8.150 nan 0.000 0.445 319 A N -0.753 122.044 122.820 -0.037 0.000 2.015 319 A HA 0.077 4.397 4.320 -0.001 0.000 0.219 319 A C 2.163 179.920 177.584 0.288 0.000 1.163 319 A CA 1.543 53.708 52.037 0.214 0.000 0.646 319 A CB -0.745 18.214 19.000 -0.068 0.000 0.806 319 A HN 0.376 nan 8.150 nan 0.000 0.448 320 V N 0.109 120.142 119.914 0.198 0.000 2.343 320 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 320 V C 2.396 178.583 176.094 0.154 0.000 1.051 320 V CA 1.916 64.320 62.300 0.174 0.000 1.036 320 V CB -0.613 31.277 31.823 0.111 0.000 0.654 320 V HN 0.596 nan 8.190 nan 0.000 0.451 321 L N -0.697 120.635 121.223 0.183 0.000 2.341 321 L HA 0.351 4.691 4.340 -0.001 0.000 0.214 321 L C 0.961 177.947 176.870 0.193 0.000 1.115 321 L CA 0.868 55.812 54.840 0.175 0.000 0.820 321 L CB -0.259 41.915 42.059 0.191 0.000 0.944 321 L HN 0.501 nan 8.230 nan 0.000 0.452 322 G N -0.196 108.791 108.800 0.311 0.000 2.633 322 G HA2 0.268 4.227 3.960 -0.001 0.000 0.299 322 G HA3 0.268 4.227 3.960 -0.001 0.000 0.299 322 G C -1.635 173.505 174.900 0.399 0.000 1.501 322 G CA -0.721 44.516 45.100 0.228 0.000 0.887 322 G HN 0.042 nan 8.290 nan 0.000 0.561 323 D N 0.412 120.934 120.400 0.204 0.000 2.335 323 D HA 0.030 4.669 4.640 -0.001 0.000 0.236 323 D C 1.405 177.648 176.300 -0.094 0.000 1.297 323 D CA -0.302 53.782 54.000 0.139 0.000 0.906 323 D CB 0.982 41.779 40.800 -0.004 0.000 1.164 323 D HN 0.494 nan 8.370 nan 0.000 0.469 324 K N -0.447 119.507 120.400 -0.743 0.000 2.097 324 K HA -0.136 4.184 4.320 -0.001 0.000 0.205 324 K C 2.097 178.448 176.600 -0.414 0.000 1.050 324 K CA 0.694 56.263 56.287 -1.197 0.000 0.938 324 K CB 0.016 31.504 32.500 -1.687 0.000 0.718 324 K HN 0.307 nan 8.250 nan 0.000 0.442 325 R N 0.348 120.675 120.500 -0.288 0.000 2.127 325 R HA -0.115 4.224 4.340 -0.001 0.000 0.238 325 R C 2.419 178.641 176.300 -0.130 0.000 1.134 325 R CA 1.772 57.774 56.100 -0.164 0.000 0.975 325 R CB -0.268 29.955 30.300 -0.128 0.000 0.865 325 R HN 0.344 nan 8.270 nan 0.000 0.447 326 S N -0.752 114.852 115.700 -0.160 0.000 2.474 326 S HA -0.109 4.360 4.470 -0.001 0.000 0.235 326 S C 1.347 175.754 174.600 -0.322 0.000 0.997 326 S CA 0.738 58.788 58.200 -0.250 0.000 0.949 326 S CB -0.101 62.901 63.200 -0.329 0.000 0.766 326 S HN 0.366 nan 8.310 nan 0.000 0.517 327 Y N 0.555 120.839 120.300 -0.028 0.000 2.498 327 Y HA 0.546 5.096 4.550 -0.001 0.000 0.259 327 Y C 1.166 177.068 175.900 0.004 0.000 1.086 327 Y CA -0.107 58.006 58.100 0.023 0.000 1.287 327 Y CB 0.581 39.109 38.460 0.112 0.000 1.146 327 Y HN 0.320 nan 8.280 nan 0.000 0.523 328 S N -1.721 114.032 115.700 0.089 0.000 2.578 328 S HA 0.310 4.779 4.470 -0.001 0.000 0.272 328 S C -0.029 174.561 174.600 -0.017 0.000 1.145 328 S CA -0.529 57.697 58.200 0.044 0.000 0.835 328 S CB 1.337 64.577 63.200 0.067 0.000 1.104 328 S HN -0.128 nan 8.310 nan 0.000 0.458 329 S N 0.945 116.637 115.700 -0.013 0.000 2.557 329 S HA 0.304 4.774 4.470 -0.001 0.000 0.223 329 S C 0.661 175.246 174.600 -0.024 0.000 0.969 329 S CA -0.220 57.962 58.200 -0.030 0.000 0.927 329 S CB -0.119 63.067 63.200 -0.023 0.000 0.806 329 S HN 0.567 nan 8.310 nan 0.000 0.489 330 R N 0.366 120.860 120.500 -0.011 0.000 2.679 330 R HA 0.109 4.449 4.340 -0.001 0.000 0.268 330 R C 0.840 177.133 176.300 -0.012 0.000 1.044 330 R CA 0.642 56.743 56.100 0.001 0.000 1.105 330 R CB 0.461 30.775 30.300 0.023 0.000 0.989 330 R HN 0.060 nan 8.270 nan 0.000 0.447 331 T N 1.619 116.174 114.554 0.002 0.000 3.015 331 T HA 0.093 4.443 4.350 -0.001 0.000 0.250 331 T C -0.077 174.640 174.700 0.028 0.000 1.057 331 T CA 0.239 62.340 62.100 0.003 0.000 1.066 331 T CB 0.257 69.128 68.868 0.004 0.000 0.959 331 T HN 0.414 nan 8.240 nan 0.000 0.488 332 E N 1.780 122.003 120.200 0.037 0.000 2.322 332 E HA 0.318 4.668 4.350 -0.001 0.000 0.257 332 E C -2.561 174.088 176.600 0.082 0.000 1.155 332 E CA -2.444 53.989 56.400 0.055 0.000 0.936 332 E CB 0.271 29.997 29.700 0.045 0.000 1.130 332 E HN 0.050 nan 8.360 nan 0.000 0.465 333 P HA 0.052 nan 4.420 nan 0.000 0.268 333 P C -0.164 177.210 177.300 0.123 0.000 1.204 333 P CA 0.249 63.428 63.100 0.131 0.000 0.768 333 P CB 0.271 32.043 31.700 0.120 0.000 0.842 334 L N 1.600 122.918 121.223 0.157 0.000 2.483 334 L HA 0.078 4.417 4.340 -0.001 0.000 0.276 334 L C 1.404 178.338 176.870 0.107 0.000 1.213 334 L CA 0.017 54.939 54.840 0.136 0.000 0.843 334 L CB -0.167 41.996 42.059 0.173 0.000 1.107 334 L HN 0.476 nan 8.230 nan 0.000 0.487 335 S N -0.000 115.750 115.700 0.083 0.000 2.641 335 S HA 0.063 4.532 4.470 -0.001 0.000 0.261 335 S C 0.537 175.177 174.600 0.066 0.000 1.257 335 S CA -0.572 57.668 58.200 0.068 0.000 0.983 335 S CB 1.134 64.367 63.200 0.053 0.000 0.990 335 S HN 0.691 nan 8.310 nan 0.000 0.572 336 D N 0.358 120.792 120.400 0.057 0.000 2.117 336 D HA -0.056 4.584 4.640 -0.001 0.000 0.198 336 D C 1.657 177.980 176.300 0.039 0.000 0.982 336 D CA 1.284 55.315 54.000 0.052 0.000 0.828 336 D CB -0.083 40.747 40.800 0.051 0.000 0.967 336 D HN 0.656 nan 8.370 nan 0.000 0.464 337 E N 0.364 120.587 120.200 0.039 0.000 2.106 337 E HA -0.120 4.230 4.350 -0.001 0.000 0.192 337 E C 1.901 178.521 176.600 0.033 0.000 0.984 337 E CA 0.777 57.197 56.400 0.033 0.000 0.806 337 E CB -0.115 29.605 29.700 0.033 0.000 0.750 337 E HN 0.414 nan 8.360 nan 0.000 0.458 338 E N 0.224 120.450 120.200 0.042 0.000 2.106 338 E HA -0.108 4.242 4.350 -0.001 0.000 0.192 338 E C 1.982 178.599 176.600 0.028 0.000 0.984 338 E CA 0.692 57.121 56.400 0.049 0.000 0.806 338 E CB -0.105 29.636 29.700 0.069 0.000 0.750 338 E HN 0.219 nan 8.360 nan 0.000 0.458 339 L N 1.264 122.495 121.223 0.014 0.000 2.083 339 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 339 L C 1.904 178.743 176.870 -0.053 0.000 1.083 339 L CA 0.889 55.705 54.840 -0.040 0.000 0.752 339 L CB -0.447 41.579 42.059 -0.055 0.000 0.899 339 L HN 0.096 nan 8.230 nan 0.000 0.433 340 D N 0.656 121.044 120.400 -0.020 0.000 2.178 340 D HA -0.149 4.491 4.640 -0.001 0.000 0.202 340 D C 2.083 178.381 176.300 -0.003 0.000 0.974 340 D CA 1.198 55.190 54.000 -0.014 0.000 0.841 340 D CB -0.018 40.785 40.800 0.005 0.000 0.953 340 D HN 0.434 nan 8.370 nan 0.000 0.478 341 K N 0.580 120.988 120.400 0.013 0.000 2.103 341 K HA 0.018 4.337 4.320 -0.001 0.000 0.204 341 K C 2.303 178.924 176.600 0.034 0.000 1.052 341 K CA 0.565 56.870 56.287 0.030 0.000 0.945 341 K CB 0.095 32.623 32.500 0.047 0.000 0.722 341 K HN 0.129 nan 8.250 nan 0.000 0.443 342 I N 1.397 121.974 120.570 0.012 0.000 2.315 342 I HA -0.234 3.935 4.170 -0.001 0.000 0.248 342 I C 2.546 178.643 176.117 -0.032 0.000 1.117 342 I CA 0.817 62.111 61.300 -0.010 0.000 1.404 342 I CB -0.404 37.502 38.000 -0.157 0.000 1.071 342 I HN 0.183 nan 8.210 nan 0.000 0.419 343 A N 1.828 124.612 122.820 -0.059 0.000 1.865 343 A HA -0.273 4.047 4.320 -0.001 0.000 0.217 343 A C 2.428 180.001 177.584 -0.019 0.000 1.191 343 A CA 2.228 54.229 52.037 -0.061 0.000 0.623 343 A CB -0.677 18.279 19.000 -0.074 0.000 0.826 343 A HN 0.453 nan 8.150 nan 0.000 0.444 344 K N -0.147 120.253 120.400 -0.000 0.000 2.063 344 K HA -0.252 4.068 4.320 -0.001 0.000 0.208 344 K C 1.886 178.502 176.600 0.027 0.000 1.048 344 K CA 1.970 58.267 56.287 0.016 0.000 0.928 344 K CB -0.481 32.032 32.500 0.022 0.000 0.713 344 K HN 0.628 nan 8.250 nan 0.000 0.442 345 Q N 0.380 120.206 119.800 0.044 0.000 2.181 345 Q HA -0.057 4.283 4.340 -0.001 0.000 0.205 345 Q C 2.084 178.120 176.000 0.059 0.000 0.980 345 Q CA 1.443 57.285 55.803 0.066 0.000 0.862 345 Q CB -0.048 28.763 28.738 0.120 0.000 0.905 345 Q HN 0.396 nan 8.270 nan 0.000 0.429 346 L N -0.402 120.847 121.223 0.044 0.000 2.585 346 L HA 0.121 4.461 4.340 -0.001 0.000 0.226 346 L C 0.212 177.070 176.870 -0.021 0.000 1.113 346 L CA -0.194 54.663 54.840 0.028 0.000 0.876 346 L CB 0.262 42.340 42.059 0.031 0.000 1.072 346 L HN 0.225 nan 8.230 nan 0.000 0.468 347 N N 0.431 119.117 118.700 -0.023 0.000 2.869 347 N HA -0.125 4.615 4.740 -0.001 0.000 0.249 347 N C -0.458 175.001 175.510 -0.085 0.000 1.104 347 N CA 0.671 53.692 53.050 -0.049 0.000 0.760 347 N CB -1.107 37.326 38.487 -0.091 0.000 1.108 347 N HN 0.222 nan 8.380 nan 0.000 0.555 348 L N -0.689 120.502 121.223 -0.053 0.000 2.304 348 L HA 0.760 5.100 4.340 -0.001 0.000 0.268 348 L C 1.553 178.410 176.870 -0.022 0.000 1.010 348 L CA -0.590 54.222 54.840 -0.048 0.000 0.813 348 L CB 1.461 43.489 42.059 -0.052 0.000 1.315 348 L HN 0.040 nan 8.230 nan 0.000 0.445 349 G N -0.483 108.312 108.800 -0.007 0.000 2.606 349 G HA2 0.259 4.218 3.960 -0.001 0.000 0.262 349 G HA3 0.259 4.218 3.960 -0.001 0.000 0.262 349 G C 0.452 175.311 174.900 -0.067 0.000 1.394 349 G CA -0.372 44.729 45.100 0.002 0.000 1.044 349 G HN 0.467 nan 8.290 nan 0.000 0.553 350 R N -1.456 119.000 120.500 -0.073 0.000 2.240 350 R HA 0.094 4.434 4.340 -0.001 0.000 0.203 350 R C -0.630 175.329 176.300 -0.569 0.000 1.011 350 R CA 0.176 56.107 56.100 -0.281 0.000 1.007 350 R CB -0.003 30.191 30.300 -0.176 0.000 0.911 350 R HN 0.485 nan 8.270 nan 0.000 0.468 351 W N -0.040 121.238 121.300 -0.036 0.000 3.129 351 W HA 0.336 4.996 4.660 -0.001 0.000 0.333 351 W C -0.887 175.665 176.519 0.054 0.000 1.141 351 W CA -0.721 56.636 57.345 0.019 0.000 1.224 351 W CB 1.233 30.717 29.460 0.040 0.000 1.393 351 W HN -0.187 nan 8.180 nan 0.000 0.499 352 N N 2.440 121.343 118.700 0.338 0.000 2.448 352 N HA 0.370 5.110 4.740 -0.001 0.000 0.279 352 N C -1.679 173.995 175.510 0.273 0.000 1.025 352 N CA -0.661 52.513 53.050 0.206 0.000 0.898 352 N CB 1.485 40.065 38.487 0.154 0.000 1.303 352 N HN 0.256 nan 8.380 nan 0.000 0.495 353 F N 3.589 123.534 119.950 -0.008 0.000 2.391 353 F HA 0.434 4.961 4.527 -0.001 0.000 0.359 353 F C -1.170 174.538 175.800 -0.154 0.000 1.122 353 F CA -0.704 57.321 58.000 0.042 0.000 1.120 353 F CB 0.184 39.239 39.000 0.091 0.000 1.142 353 F HN 0.389 nan 8.300 nan 0.000 0.483 354 Y N 4.229 124.241 120.300 -0.480 0.000 2.341 354 Y HA 0.696 5.245 4.550 -0.001 0.000 0.337 354 Y C 0.600 175.974 175.900 -0.877 0.000 1.014 354 Y CA -0.437 57.334 58.100 -0.547 0.000 1.111 354 Y CB 1.748 40.012 38.460 -0.327 0.000 1.194 354 Y HN 0.774 nan 8.280 nan 0.000 0.462 355 G N 0.330 108.517 108.800 -1.022 0.000 2.782 355 G HA2 0.831 4.790 3.960 -0.001 0.000 0.304 355 G HA3 0.831 4.790 3.960 -0.001 0.000 0.304 355 G C -1.933 172.388 174.900 -0.965 0.000 1.315 355 G CA -0.530 43.960 45.100 -1.017 0.000 0.791 355 G HN 0.837 nan 8.290 nan 0.000 0.519 356 A N -0.981 121.585 122.820 -0.424 0.000 2.594 356 A HA 0.697 5.017 4.320 -0.001 0.000 0.296 356 A C -1.544 176.016 177.584 -0.041 0.000 1.061 356 A CA -0.512 51.347 52.037 -0.298 0.000 0.689 356 A CB 0.978 19.820 19.000 -0.264 0.000 1.280 356 A HN 0.844 nan 8.150 nan 0.000 0.406 357 L N 1.458 122.544 121.223 -0.229 0.000 2.325 357 L HA 0.685 5.025 4.340 -0.001 0.000 0.278 357 L C -1.167 175.568 176.870 -0.225 0.000 1.023 357 L CA -0.628 54.187 54.840 -0.043 0.000 0.811 357 L CB 1.358 43.386 42.059 -0.052 0.000 1.249 357 L HN 0.741 nan 8.230 nan 0.000 0.431 358 Y N 0.666 121.043 120.300 0.129 0.000 2.499 358 Y HA 0.815 5.365 4.550 -0.001 0.000 0.347 358 Y C 0.680 176.614 175.900 0.057 0.000 0.987 358 Y CA -0.513 57.666 58.100 0.131 0.000 1.044 358 Y CB 2.265 40.805 38.460 0.135 0.000 1.245 358 Y HN 0.746 nan 8.280 nan 0.000 0.461 359 G N 1.668 110.558 108.800 0.150 0.000 2.498 359 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.651 359 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.651 359 G C -3.267 171.653 174.900 0.034 0.000 1.284 359 G CA -1.477 43.664 45.100 0.069 0.000 0.950 359 G HN 0.444 nan 8.290 nan 0.000 0.511 360 P HA 0.159 nan 4.420 nan 0.000 0.269 360 P C 0.893 178.202 177.300 0.015 0.000 1.209 360 P CA 0.064 63.171 63.100 0.011 0.000 0.776 360 P CB 1.004 32.708 31.700 0.007 0.000 0.876 361 E N 3.899 124.104 120.200 0.007 0.000 2.086 361 E HA -0.208 4.142 4.350 -0.001 0.000 0.205 361 E C -0.869 175.743 176.600 0.021 0.000 1.027 361 E CA 2.442 58.846 56.400 0.007 0.000 0.830 361 E CB -1.803 27.899 29.700 0.004 0.000 0.751 361 E HN 0.371 nan 8.360 nan 0.000 0.456 362 P HA -0.141 nan 4.420 nan 0.000 0.216 362 P C 1.820 179.142 177.300 0.036 0.000 1.150 362 P CA 1.307 64.423 63.100 0.026 0.000 0.843 362 P CB -0.209 31.503 31.700 0.019 0.000 0.787 363 I N -0.959 119.634 120.570 0.038 0.000 2.333 363 I HA -0.124 4.045 4.170 -0.001 0.000 0.246 363 I C 2.775 178.934 176.117 0.070 0.000 1.106 363 I CA 0.975 62.306 61.300 0.052 0.000 1.411 363 I CB -0.352 37.679 38.000 0.050 0.000 1.082 363 I HN -0.174 nan 8.210 nan 0.000 0.420 364 R N 0.401 120.938 120.500 0.062 0.000 2.091 364 R HA -0.215 4.124 4.340 -0.001 0.000 0.238 364 R C 2.429 178.798 176.300 0.114 0.000 1.136 364 R CA 1.500 57.640 56.100 0.067 0.000 0.959 364 R CB -0.407 29.890 30.300 -0.004 0.000 0.856 364 R HN 0.305 nan 8.270 nan 0.000 0.437 365 R N 0.682 121.240 120.500 0.097 0.000 2.080 365 R HA -0.153 4.186 4.340 -0.001 0.000 0.236 365 R C 2.107 178.481 176.300 0.123 0.000 1.137 365 R CA 1.893 58.069 56.100 0.127 0.000 0.943 365 R CB -0.322 30.026 30.300 0.080 0.000 0.846 365 R HN 0.063 nan 8.270 nan 0.000 0.431 366 V N 1.543 121.505 119.914 0.080 0.000 2.287 366 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 366 V C 2.437 178.567 176.094 0.060 0.000 1.053 366 V CA 1.824 64.156 62.300 0.053 0.000 1.027 366 V CB -0.445 31.404 31.823 0.043 0.000 0.646 366 V HN 0.355 nan 8.190 nan 0.000 0.447 367 L N -1.120 120.164 121.223 0.101 0.000 2.056 367 L HA -0.200 4.140 4.340 -0.001 0.000 0.207 367 L C 2.427 179.375 176.870 0.130 0.000 1.078 367 L CA 1.981 56.892 54.840 0.118 0.000 0.749 367 L CB -0.589 41.565 42.059 0.158 0.000 0.901 367 L HN 0.563 nan 8.230 nan 0.000 0.433 368 W N 1.827 123.102 121.300 -0.042 0.000 2.363 368 W HA -0.214 4.446 4.660 -0.001 0.000 0.296 368 W C 1.961 178.397 176.519 -0.138 0.000 1.212 368 W CA 1.613 58.893 57.345 -0.110 0.000 1.260 368 W CB 0.100 29.505 29.460 -0.092 0.000 1.131 368 W HN 0.259 nan 8.180 nan 0.000 0.530 369 E N -0.388 119.684 120.200 -0.214 0.000 2.106 369 E HA -0.164 4.185 4.350 -0.001 0.000 0.192 369 E C 2.112 178.539 176.600 -0.289 0.000 0.984 369 E CA 1.908 58.108 56.400 -0.334 0.000 0.806 369 E CB -0.442 29.166 29.700 -0.153 0.000 0.750 369 E HN 0.070 nan 8.360 nan 0.000 0.458 370 T N 1.246 115.708 114.554 -0.155 0.000 2.708 370 T HA -0.123 4.227 4.350 -0.001 0.000 0.266 370 T C 1.944 176.576 174.700 -0.113 0.000 1.037 370 T CA 0.961 63.003 62.100 -0.097 0.000 1.146 370 T CB -0.191 68.665 68.868 -0.020 0.000 0.865 370 T HN 0.096 nan 8.240 nan 0.000 0.435 371 I N 0.710 121.198 120.570 -0.137 0.000 2.099 371 I HA -0.226 3.944 4.170 -0.001 0.000 0.239 371 I C 2.640 178.623 176.117 -0.224 0.000 1.066 371 I CA 1.487 62.738 61.300 -0.083 0.000 1.324 371 I CB -0.397 37.569 38.000 -0.057 0.000 1.037 371 I HN 0.171 nan 8.210 nan 0.000 0.401 372 K N 0.459 120.381 120.400 -0.796 0.000 2.034 372 K HA -0.308 4.011 4.320 -0.001 0.000 0.214 372 K C 1.880 178.281 176.600 -0.331 0.000 1.051 372 K CA 2.434 58.143 56.287 -0.964 0.000 0.931 372 K CB -0.392 31.263 32.500 -1.408 0.000 0.715 372 K HN 0.259 nan 8.250 nan 0.000 0.446 373 D N -0.175 120.056 120.400 -0.282 0.000 2.182 373 D HA -0.138 4.502 4.640 -0.001 0.000 0.201 373 D C 1.565 177.838 176.300 -0.044 0.000 0.986 373 D CA 1.386 55.307 54.000 -0.132 0.000 0.847 373 D CB 0.073 40.792 40.800 -0.136 0.000 0.942 373 D HN 0.277 nan 8.370 nan 0.000 0.467 374 A N -0.992 121.820 122.820 -0.014 0.000 1.935 374 A HA 0.024 4.343 4.320 -0.001 0.000 0.214 374 A C 1.843 179.402 177.584 -0.043 0.000 1.178 374 A CA 0.470 52.484 52.037 -0.038 0.000 0.640 374 A CB -0.796 18.178 19.000 -0.043 0.000 0.825 374 A HN 0.268 nan 8.150 nan 0.000 0.447 375 F N 0.749 120.692 119.950 -0.012 0.000 2.661 375 F HA -0.001 4.526 4.527 -0.001 0.000 0.298 375 F C 2.340 178.170 175.800 0.050 0.000 1.137 375 F CA 1.008 59.025 58.000 0.029 0.000 1.454 375 F CB -0.063 39.009 39.000 0.120 0.000 1.103 375 F HN 0.102 nan 8.300 nan 0.000 0.577 376 S N -0.205 115.628 115.700 0.223 0.000 2.507 376 S HA -0.073 4.397 4.470 -0.001 0.000 0.235 376 S C 2.214 176.838 174.600 0.040 0.000 0.988 376 S CA 0.730 59.014 58.200 0.140 0.000 0.944 376 S CB -0.350 62.905 63.200 0.091 0.000 0.762 376 S HN 0.351 nan 8.310 nan 0.000 0.526 377 A N 0.866 123.680 122.820 -0.009 0.000 2.209 377 A HA 0.222 4.542 4.320 -0.001 0.000 0.212 377 A C 0.730 178.290 177.584 -0.040 0.000 1.158 377 A CA 0.265 52.278 52.037 -0.039 0.000 0.742 377 A CB -0.351 18.606 19.000 -0.071 0.000 0.790 377 A HN 0.470 nan 8.150 nan 0.000 0.472 378 I N 1.498 122.051 120.570 -0.029 0.000 2.315 378 I HA 0.234 4.403 4.170 -0.001 0.000 0.291 378 I C -2.494 173.616 176.117 -0.011 0.000 1.006 378 I CA -2.280 59.004 61.300 -0.027 0.000 1.265 378 I CB 1.242 39.231 38.000 -0.019 0.000 1.387 378 I HN -0.031 nan 8.210 nan 0.000 0.475 379 P HA 0.093 nan 4.420 nan 0.000 0.267 379 P C 0.865 178.159 177.300 -0.010 0.000 1.205 379 P CA 0.450 63.545 63.100 -0.008 0.000 0.765 379 P CB 0.737 32.435 31.700 -0.004 0.000 0.828 380 G N 1.541 110.331 108.800 -0.018 0.000 2.159 380 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.256 380 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.256 380 G C 0.208 175.071 174.900 -0.062 0.000 0.977 380 G CA 0.022 45.106 45.100 -0.026 0.000 0.652 380 G HN 0.703 nan 8.290 nan 0.000 0.531 381 V N 0.227 120.082 119.914 -0.098 0.000 2.901 381 V HA 0.510 4.629 4.120 -0.001 0.000 0.307 381 V C 0.418 176.284 176.094 -0.380 0.000 1.084 381 V CA 0.657 62.825 62.300 -0.221 0.000 1.184 381 V CB 0.942 32.618 31.823 -0.245 0.000 0.941 381 V HN 0.335 nan 8.190 nan 0.000 0.493 382 K N 5.550 125.674 120.400 -0.461 0.000 2.427 382 K HA 0.502 4.822 4.320 -0.001 0.000 0.252 382 K C -1.694 174.506 176.600 -0.666 0.000 0.931 382 K CA -0.356 55.633 56.287 -0.496 0.000 0.793 382 K CB 2.110 34.485 32.500 -0.209 0.000 1.211 382 K HN 0.588 nan 8.250 nan 0.000 0.426 383 F N 2.513 122.264 119.950 -0.331 0.000 2.411 383 F HA 0.401 4.928 4.527 -0.001 0.000 0.352 383 F C -0.390 175.132 175.800 -0.463 0.000 1.123 383 F CA -0.611 57.264 58.000 -0.207 0.000 1.044 383 F CB 0.698 39.684 39.000 -0.022 0.000 1.135 383 F HN 0.344 nan 8.300 nan 0.000 0.461 384 Y N 2.498 122.918 120.300 0.200 0.000 2.485 384 Y HA 0.618 5.167 4.550 -0.001 0.000 0.345 384 Y C -0.601 175.423 175.900 0.207 0.000 0.998 384 Y CA -1.243 56.914 58.100 0.095 0.000 1.059 384 Y CB 1.479 39.981 38.460 0.069 0.000 1.234 384 Y HN 0.302 nan 8.280 nan 0.000 0.461 385 F N 2.081 122.119 119.950 0.147 0.000 2.497 385 F HA 0.430 4.957 4.527 -0.001 0.000 0.331 385 F C -1.453 174.377 175.800 0.051 0.000 1.060 385 F CA -3.243 54.768 58.000 0.018 0.000 0.989 385 F CB 0.646 39.598 39.000 -0.079 0.000 1.245 385 F HN 0.249 nan 8.300 nan 0.000 0.486 386 P HA -0.190 nan 4.420 nan 0.000 0.216 386 P C 1.288 178.655 177.300 0.112 0.000 1.157 386 P CA 1.752 64.918 63.100 0.109 0.000 0.880 386 P CB 0.295 32.020 31.700 0.042 0.000 0.791 387 E N -0.099 120.175 120.200 0.124 0.000 2.130 387 E HA -0.191 4.158 4.350 -0.001 0.000 0.196 387 E C 1.456 178.118 176.600 0.103 0.000 0.998 387 E CA 1.179 57.640 56.400 0.101 0.000 0.806 387 E CB -1.058 28.705 29.700 0.104 0.000 0.738 387 E HN 0.380 nan 8.360 nan 0.000 0.459 388 D N 0.345 120.831 120.400 0.143 0.000 2.371 388 D HA -0.045 4.595 4.640 -0.001 0.000 0.221 388 D C 0.896 177.287 176.300 0.152 0.000 0.986 388 D CA 0.660 54.761 54.000 0.169 0.000 0.899 388 D CB 0.006 40.962 40.800 0.261 0.000 0.902 388 D HN 0.257 nan 8.370 nan 0.000 0.530 389 T N -2.067 112.537 114.554 0.084 0.000 2.942 389 T HA 0.559 4.909 4.350 -0.001 0.000 0.289 389 T C -2.807 171.898 174.700 0.008 0.000 1.044 389 T CA -2.050 60.047 62.100 -0.005 0.000 1.023 389 T CB 2.315 71.150 68.868 -0.055 0.000 1.123 389 T HN -0.321 nan 8.240 nan 0.000 0.512 390 P HA 0.181 nan 4.420 nan 0.000 0.271 390 P C 0.800 178.106 177.300 0.011 0.000 1.233 390 P CA -0.298 62.805 63.100 0.005 0.000 0.789 390 P CB 0.442 32.142 31.700 0.000 0.000 0.951 391 E N 1.060 121.269 120.200 0.014 0.000 2.204 391 E HA -0.209 4.141 4.350 -0.001 0.000 0.195 391 E C 0.899 177.507 176.600 0.013 0.000 0.990 391 E CA 1.047 57.456 56.400 0.015 0.000 0.821 391 E CB -0.060 29.649 29.700 0.015 0.000 0.750 391 E HN 0.436 nan 8.360 nan 0.000 0.477 392 N N 0.174 118.882 118.700 0.014 0.000 2.230 392 N HA -0.063 4.677 4.740 -0.001 0.000 0.202 392 N C -0.050 175.470 175.510 0.016 0.000 1.119 392 N CA 0.088 53.147 53.050 0.016 0.000 0.851 392 N CB 0.053 38.552 38.487 0.021 0.000 0.990 392 N HN -0.090 nan 8.380 nan 0.000 0.497 393 S N -0.671 115.036 115.700 0.012 0.000 2.576 393 S HA 0.121 4.591 4.470 -0.001 0.000 0.272 393 S C 1.448 176.054 174.600 0.010 0.000 1.352 393 S CA -0.558 57.650 58.200 0.013 0.000 1.021 393 S CB 1.183 64.387 63.200 0.007 0.000 0.887 393 S HN -0.071 nan 8.310 nan 0.000 0.542 394 V N 2.099 122.021 119.914 0.014 0.000 2.427 394 V HA -0.106 4.013 4.120 -0.001 0.000 0.248 394 V C 2.309 178.383 176.094 -0.033 0.000 1.051 394 V CA 1.655 63.926 62.300 -0.048 0.000 1.048 394 V CB -1.032 30.734 31.823 -0.096 0.000 0.666 394 V HN 0.850 nan 8.190 nan 0.000 0.456 395 L N 0.438 121.746 121.223 0.141 0.000 2.042 395 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 395 L C 2.516 179.421 176.870 0.060 0.000 1.076 395 L CA 1.936 56.894 54.840 0.196 0.000 0.749 395 L CB -0.684 41.493 42.059 0.196 0.000 0.893 395 L HN 0.191 nan 8.230 nan 0.000 0.432 396 R N -1.482 119.037 120.500 0.031 0.000 2.148 396 R HA -0.069 4.270 4.340 -0.001 0.000 0.227 396 R C 2.064 178.351 176.300 -0.022 0.000 1.103 396 R CA 1.254 57.359 56.100 0.008 0.000 0.983 396 R CB -0.310 29.997 30.300 0.011 0.000 0.874 396 R HN 0.320 nan 8.270 nan 0.000 0.451 397 V N 0.703 120.590 119.914 -0.044 0.000 2.346 397 V HA -0.169 3.951 4.120 -0.001 0.000 0.244 397 V C 2.121 178.151 176.094 -0.107 0.000 1.037 397 V CA 1.555 63.807 62.300 -0.079 0.000 1.029 397 V CB -0.386 31.382 31.823 -0.091 0.000 0.663 397 V HN 0.266 nan 8.190 nan 0.000 0.454 398 R N 0.253 120.676 120.500 -0.129 0.000 2.189 398 R HA -0.156 4.183 4.340 -0.001 0.000 0.223 398 R C 1.982 178.247 176.300 -0.058 0.000 1.092 398 R CA 1.488 57.498 56.100 -0.150 0.000 0.989 398 R CB -0.424 29.706 30.300 -0.283 0.000 0.876 398 R HN 0.647 nan 8.270 nan 0.000 0.457 399 D N 1.240 121.628 120.400 -0.020 0.000 2.149 399 D HA -0.166 4.473 4.640 -0.001 0.000 0.198 399 D C 1.470 177.797 176.300 0.045 0.000 0.990 399 D CA 1.444 55.466 54.000 0.036 0.000 0.839 399 D CB 0.236 41.045 40.800 0.016 0.000 0.948 399 D HN 0.100 nan 8.370 nan 0.000 0.460 400 K N -0.706 119.661 120.400 -0.055 0.000 2.031 400 K HA -0.041 4.278 4.320 -0.001 0.000 0.205 400 K C 2.239 178.733 176.600 -0.177 0.000 1.049 400 K CA 1.515 57.715 56.287 -0.144 0.000 0.939 400 K CB -0.198 32.205 32.500 -0.162 0.000 0.717 400 K HN 0.095 nan 8.250 nan 0.000 0.438 401 T N 1.599 116.075 114.554 -0.131 0.000 2.720 401 T HA -0.139 4.210 4.350 -0.001 0.000 0.268 401 T C 1.603 176.290 174.700 -0.022 0.000 1.037 401 T CA 1.366 63.406 62.100 -0.101 0.000 1.144 401 T CB -0.108 68.704 68.868 -0.094 0.000 0.864 401 T HN 0.176 nan 8.240 nan 0.000 0.444 402 M N 1.594 121.219 119.600 0.043 0.000 2.633 402 M HA 0.056 4.535 4.480 -0.001 0.000 0.226 402 M C 1.570 177.927 176.300 0.094 0.000 1.137 402 M CA 0.565 55.975 55.300 0.184 0.000 1.020 402 M CB -0.022 32.734 32.600 0.260 0.000 1.675 402 M HN 0.387 nan 8.290 nan 0.000 0.500 403 Q N -1.449 118.188 119.800 -0.272 0.000 2.112 403 Q HA 0.349 4.689 4.340 -0.001 0.000 0.222 403 Q C 0.686 176.287 176.000 -0.664 0.000 0.798 403 Q CA 0.353 55.695 55.803 -0.767 0.000 1.060 403 Q CB 0.735 28.535 28.738 -1.563 0.000 1.184 403 Q HN 0.360 nan 8.270 nan 0.000 0.475 404 G N 1.483 110.105 108.800 -0.297 0.000 2.143 404 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.249 404 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.249 404 G C -0.035 174.681 174.900 -0.305 0.000 0.981 404 G CA 0.174 45.135 45.100 -0.232 0.000 0.665 404 G HN 0.432 nan 8.290 nan 0.000 0.528 405 I N 2.818 123.155 120.570 -0.388 0.000 2.331 405 I HA 0.326 4.496 4.170 -0.001 0.000 0.292 405 I C -1.699 174.134 176.117 -0.473 0.000 0.998 405 I CA -2.452 58.543 61.300 -0.509 0.000 1.267 405 I CB 1.602 39.331 38.000 -0.452 0.000 1.386 405 I HN -0.096 nan 8.210 nan 0.000 0.476 406 P HA 0.165 nan 4.420 nan 0.000 0.276 406 P C -0.637 176.321 177.300 -0.571 0.000 1.235 406 P CA -0.074 62.703 63.100 -0.538 0.000 0.772 406 P CB 0.992 32.350 31.700 -0.570 0.000 0.871 407 T N 0.027 114.247 114.554 -0.556 0.000 2.864 407 T HA 0.528 4.877 4.350 -0.001 0.000 0.289 407 T C -0.256 173.993 174.700 -0.751 0.000 1.082 407 T CA -0.394 61.415 62.100 -0.485 0.000 1.009 407 T CB 1.254 69.974 68.868 -0.246 0.000 1.234 407 T HN 0.258 nan 8.240 nan 0.000 0.526 408 Y N -1.253 119.030 120.300 -0.029 0.000 2.610 408 Y HA 0.272 4.822 4.550 -0.001 0.000 0.254 408 Y C 1.348 177.168 175.900 -0.134 0.000 1.110 408 Y CA -0.660 57.385 58.100 -0.091 0.000 1.238 408 Y CB -0.016 38.412 38.460 -0.053 0.000 1.322 408 Y HN 0.614 nan 8.280 nan 0.000 0.547 409 D N 1.224 121.623 120.400 -0.001 0.000 2.133 409 D HA -0.198 4.442 4.640 -0.001 0.000 0.195 409 D C 1.410 177.677 176.300 -0.055 0.000 0.997 409 D CA 1.832 55.820 54.000 -0.020 0.000 0.840 409 D CB 0.038 40.819 40.800 -0.031 0.000 0.947 409 D HN 0.414 nan 8.370 nan 0.000 0.452 410 E N -0.047 120.102 120.200 -0.085 0.000 2.516 410 E HA -0.048 4.301 4.350 -0.001 0.000 0.199 410 E C 1.858 178.287 176.600 -0.285 0.000 1.069 410 E CA -0.077 56.279 56.400 -0.074 0.000 0.876 410 E CB 0.045 29.742 29.700 -0.005 0.000 0.843 410 E HN 0.417 nan 8.360 nan 0.000 0.530 411 L N 0.928 121.960 121.223 -0.319 0.000 2.131 411 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 411 L C 2.351 178.962 176.870 -0.431 0.000 1.092 411 L CA 0.908 55.470 54.840 -0.463 0.000 0.759 411 L CB -0.117 41.726 42.059 -0.361 0.000 0.903 411 L HN 0.016 nan 8.230 nan 0.000 0.435 412 K N 0.165 120.434 120.400 -0.218 0.000 2.218 412 K HA -0.217 4.102 4.320 -0.001 0.000 0.205 412 K C 1.810 178.416 176.600 0.010 0.000 1.046 412 K CA 1.595 57.837 56.287 -0.075 0.000 0.933 412 K CB -0.348 32.159 32.500 0.012 0.000 0.728 412 K HN 0.653 nan 8.250 nan 0.000 0.454 413 W N 0.364 121.676 121.300 0.021 0.000 2.525 413 W HA -0.049 4.611 4.660 -0.001 0.000 0.259 413 W C 1.123 177.672 176.519 0.051 0.000 1.253 413 W CA 0.119 57.482 57.345 0.031 0.000 1.262 413 W CB -0.754 28.674 29.460 -0.054 0.000 1.122 413 W HN -0.113 nan 8.180 nan 0.000 0.607 414 I N 1.683 122.132 120.570 -0.202 0.000 2.756 414 I HA -0.195 3.974 4.170 -0.001 0.000 0.262 414 I C 1.113 177.274 176.117 0.073 0.000 1.225 414 I CA 1.277 62.506 61.300 -0.118 0.000 1.472 414 I CB -0.598 37.183 38.000 -0.365 0.000 1.094 414 I HN -0.204 nan 8.210 nan 0.000 0.454 415 D N 0.227 120.682 120.400 0.092 0.000 2.325 415 D HA -0.101 4.539 4.640 -0.001 0.000 0.234 415 D C 1.481 177.913 176.300 0.218 0.000 1.122 415 D CA 0.083 54.148 54.000 0.107 0.000 0.850 415 D CB -0.214 40.620 40.800 0.057 0.000 0.921 415 D HN 0.497 nan 8.370 nan 0.000 0.513 416 W N 0.887 122.246 121.300 0.098 0.000 2.325 416 W HA -0.130 4.530 4.660 -0.001 0.000 0.299 416 W C -0.234 176.328 176.519 0.072 0.000 1.215 416 W CA 0.868 58.277 57.345 0.107 0.000 1.244 416 W CB 0.314 29.847 29.460 0.123 0.000 1.140 416 W HN -0.030 nan 8.180 nan 0.000 0.523 417 L N -0.725 120.555 121.223 0.095 0.000 2.323 417 L HA 0.261 4.600 4.340 -0.001 0.000 0.265 417 L C -1.145 175.716 176.870 -0.015 0.000 1.012 417 L CA -2.336 52.487 54.840 -0.030 0.000 0.820 417 L CB 0.883 42.960 42.059 0.030 0.000 1.334 417 L HN -0.405 nan 8.230 nan 0.000 0.427 418 P HA -0.246 nan 4.420 nan 0.000 0.214 418 P C -0.086 177.203 177.300 -0.018 0.000 1.099 418 P CA 1.687 64.773 63.100 -0.023 0.000 0.976 418 P CB 0.073 31.765 31.700 -0.014 0.000 0.774 419 N N -0.824 117.865 118.700 -0.017 0.000 2.908 419 N HA 0.187 4.926 4.740 -0.001 0.000 0.316 419 N C 0.262 175.712 175.510 -0.100 0.000 1.619 419 N CA -0.103 52.923 53.050 -0.040 0.000 1.045 419 N CB 0.446 38.925 38.487 -0.013 0.000 1.357 419 N HN 0.089 nan 8.380 nan 0.000 0.501 420 G N 0.571 109.321 108.800 -0.083 0.000 2.178 420 G HA2 0.310 4.270 3.960 -0.001 0.000 0.244 420 G HA3 0.310 4.270 3.960 -0.001 0.000 0.244 420 G C -0.071 174.697 174.900 -0.219 0.000 1.213 420 G CA -0.080 44.948 45.100 -0.120 0.000 0.912 420 G HN 0.395 nan 8.290 nan 0.000 0.474 421 A N 1.694 124.224 122.820 -0.482 0.000 2.423 421 A HA 0.970 5.290 4.320 -0.001 0.000 0.304 421 A C 0.059 177.375 177.584 -0.447 0.000 1.104 421 A CA -0.112 51.673 52.037 -0.420 0.000 0.757 421 A CB 1.862 20.353 19.000 -0.848 0.000 1.313 421 A HN 1.959 nan 8.150 nan 0.000 0.423 422 A N 0.004 122.677 122.820 -0.245 0.000 2.356 422 A HA 0.817 5.137 4.320 -0.001 0.000 0.323 422 A C -1.253 176.178 177.584 -0.255 0.000 1.119 422 A CA -0.473 51.364 52.037 -0.332 0.000 0.790 422 A CB 1.315 20.027 19.000 -0.481 0.000 1.273 422 A HN 1.911 nan 8.150 nan 0.000 0.452 423 L N 1.011 122.106 121.223 -0.212 0.000 2.464 423 L HA 0.781 5.121 4.340 -0.001 0.000 0.266 423 L C -2.066 174.641 176.870 -0.273 0.000 0.965 423 L CA -0.236 54.531 54.840 -0.121 0.000 0.833 423 L CB 1.400 43.529 42.059 0.117 0.000 1.296 423 L HN 0.526 nan 8.230 nan 0.000 0.405 424 F N 5.131 125.078 119.950 -0.005 0.000 2.415 424 F HA 0.435 4.962 4.527 -0.001 0.000 0.348 424 F C -0.377 175.489 175.800 0.110 0.000 1.119 424 F CA -0.348 57.647 58.000 -0.008 0.000 1.069 424 F CB 1.383 40.298 39.000 -0.142 0.000 1.124 424 F HN 0.365 nan 8.300 nan 0.000 0.472 425 F N 2.877 122.909 119.950 0.137 0.000 2.371 425 F HA 0.456 4.983 4.527 -0.001 0.000 0.363 425 F C -0.003 175.846 175.800 0.082 0.000 1.122 425 F CA -0.580 57.445 58.000 0.041 0.000 1.129 425 F CB 0.769 39.720 39.000 -0.081 0.000 1.173 425 F HN 0.289 nan 8.300 nan 0.000 0.489 426 S N 8.306 123.731 115.700 -0.459 0.000 2.078 426 S HA 0.297 4.767 4.470 -0.001 0.000 0.168 426 S C -2.617 171.791 174.600 -0.321 0.000 1.542 426 S CA -1.071 56.978 58.200 -0.251 0.000 1.223 426 S CB 0.115 63.428 63.200 0.190 0.000 1.152 426 S HN 0.458 nan 8.310 nan 0.000 0.452 427 P HA 0.372 nan 4.420 nan 0.000 0.275 427 P C -0.710 176.499 177.300 -0.152 0.000 1.266 427 P CA -0.520 62.396 63.100 -0.306 0.000 0.793 427 P CB 0.717 32.239 31.700 -0.297 0.000 1.074 428 I N -0.403 120.126 120.570 -0.069 0.000 2.509 428 I HA 0.575 4.744 4.170 -0.001 0.000 0.293 428 I C 0.295 176.408 176.117 -0.007 0.000 1.020 428 I CA -1.181 60.093 61.300 -0.043 0.000 1.088 428 I CB 1.031 39.012 38.000 -0.033 0.000 1.267 428 I HN 0.408 nan 8.210 nan 0.000 0.430 429 A N 5.887 128.716 122.820 0.015 0.000 2.384 429 A HA 0.693 5.012 4.320 -0.001 0.000 0.312 429 A C -0.096 177.545 177.584 0.095 0.000 1.113 429 A CA -0.751 51.295 52.037 0.014 0.000 0.779 429 A CB 1.343 20.329 19.000 -0.023 0.000 1.307 429 A HN 0.683 nan 8.150 nan 0.000 0.436 430 K N -0.289 120.198 120.400 0.145 0.000 2.187 430 K HA 0.327 4.646 4.320 -0.001 0.000 0.247 430 K C -0.457 176.147 176.600 0.006 0.000 1.019 430 K CA -0.149 56.190 56.287 0.087 0.000 0.893 430 K CB 0.507 33.068 32.500 0.102 0.000 1.025 430 K HN 0.314 nan 8.250 nan 0.000 0.500 431 V N 2.361 122.266 119.914 -0.015 0.000 2.096 431 V HA 0.077 4.196 4.120 -0.001 0.000 0.259 431 V C -0.327 175.711 176.094 -0.094 0.000 1.420 431 V CA -0.131 62.126 62.300 -0.072 0.000 1.336 431 V CB -0.677 31.121 31.823 -0.042 0.000 1.394 431 V HN 0.735 nan 8.190 nan 0.000 0.494 432 S N 1.362 116.993 115.700 -0.114 0.000 2.546 432 S HA 0.594 5.064 4.470 -0.001 0.000 0.272 432 S C 1.037 175.548 174.600 -0.148 0.000 1.140 432 S CA 0.054 58.190 58.200 -0.106 0.000 0.920 432 S CB 1.920 65.093 63.200 -0.044 0.000 1.083 432 S HN 0.519 nan 8.310 nan 0.000 0.476 433 G N 2.018 110.718 108.800 -0.168 0.000 2.476 433 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.218 433 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.218 433 G C 1.017 175.852 174.900 -0.107 0.000 1.164 433 G CA 1.222 46.209 45.100 -0.188 0.000 0.768 433 G HN 0.900 nan 8.290 nan 0.000 0.560 434 E N 0.170 120.338 120.200 -0.054 0.000 2.049 434 E HA -0.230 4.119 4.350 -0.001 0.000 0.198 434 E C 2.076 178.711 176.600 0.058 0.000 1.007 434 E CA 1.594 57.996 56.400 0.003 0.000 0.809 434 E CB -0.221 29.486 29.700 0.012 0.000 0.749 434 E HN 0.415 nan 8.360 nan 0.000 0.450 435 D N -0.802 119.642 120.400 0.074 0.000 2.178 435 D HA -0.071 4.568 4.640 -0.001 0.000 0.202 435 D C 1.716 178.100 176.300 0.140 0.000 0.974 435 D CA 1.333 55.455 54.000 0.204 0.000 0.841 435 D CB -0.031 40.908 40.800 0.232 0.000 0.953 435 D HN 0.291 nan 8.370 nan 0.000 0.478 436 A N 0.009 122.809 122.820 -0.032 0.000 1.897 436 A HA -0.096 4.223 4.320 -0.001 0.000 0.215 436 A C 2.110 179.711 177.584 0.029 0.000 1.181 436 A CA 1.045 52.998 52.037 -0.140 0.000 0.620 436 A CB -0.399 18.256 19.000 -0.574 0.000 0.821 436 A HN 0.166 nan 8.150 nan 0.000 0.443 437 M N -1.061 118.550 119.600 0.018 0.000 2.086 437 M HA -0.134 4.345 4.480 -0.001 0.000 0.261 437 M C 2.383 178.807 176.300 0.205 0.000 1.067 437 M CA 2.022 57.406 55.300 0.139 0.000 1.116 437 M CB -1.201 31.452 32.600 0.088 0.000 1.348 437 M HN 0.634 nan 8.290 nan 0.000 0.407 438 M N -0.140 119.578 119.600 0.196 0.000 2.108 438 M HA -0.285 4.195 4.480 -0.001 0.000 0.261 438 M C 2.246 178.733 176.300 0.312 0.000 1.066 438 M CA 1.817 57.284 55.300 0.279 0.000 1.107 438 M CB -0.211 32.605 32.600 0.361 0.000 1.356 438 M HN 0.297 nan 8.290 nan 0.000 0.406 439 Q N -1.028 118.845 119.800 0.121 0.000 2.079 439 Q HA -0.233 4.106 4.340 -0.001 0.000 0.200 439 Q C 1.978 178.048 176.000 0.117 0.000 0.974 439 Q CA 1.771 57.430 55.803 -0.240 0.000 0.840 439 Q CB -0.348 28.034 28.738 -0.592 0.000 0.898 439 Q HN 0.669 nan 8.270 nan 0.000 0.430 440 Y N 0.584 120.941 120.300 0.094 0.000 2.114 440 Y HA -0.288 4.262 4.550 -0.001 0.000 0.282 440 Y C 2.003 177.880 175.900 -0.038 0.000 1.165 440 Y CA 1.550 59.683 58.100 0.056 0.000 1.148 440 Y CB -0.862 37.653 38.460 0.092 0.000 0.972 440 Y HN 0.212 nan 8.280 nan 0.000 0.504 441 A N -0.680 122.116 122.820 -0.041 0.000 1.858 441 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 441 A C 2.488 180.029 177.584 -0.071 0.000 1.190 441 A CA 2.219 54.173 52.037 -0.137 0.000 0.617 441 A CB -1.374 17.626 19.000 -0.000 0.000 0.827 441 A HN 0.303 nan 8.150 nan 0.000 0.443 442 V N 0.027 119.973 119.914 0.054 0.000 2.252 442 V HA -0.287 3.833 4.120 -0.001 0.000 0.249 442 V C 2.790 178.888 176.094 0.006 0.000 1.056 442 V CA 2.666 65.012 62.300 0.076 0.000 1.022 442 V CB -1.426 30.529 31.823 0.220 0.000 0.641 442 V HN 0.644 nan 8.190 nan 0.000 0.445 443 T N -0.812 113.745 114.554 0.005 0.000 2.746 443 T HA -0.240 4.109 4.350 -0.001 0.000 0.267 443 T C 1.940 176.632 174.700 -0.015 0.000 1.039 443 T CA 1.776 63.876 62.100 -0.000 0.000 1.142 443 T CB -0.192 68.751 68.868 0.124 0.000 0.866 443 T HN 0.416 nan 8.240 nan 0.000 0.444 444 K N 1.276 121.569 120.400 -0.179 0.000 2.026 444 K HA -0.109 4.211 4.320 -0.001 0.000 0.208 444 K C 2.380 178.925 176.600 -0.091 0.000 1.048 444 K CA 1.343 57.485 56.287 -0.241 0.000 0.929 444 K CB -0.092 32.034 32.500 -0.624 0.000 0.713 444 K HN 0.277 nan 8.250 nan 0.000 0.439 445 K N 0.356 120.698 120.400 -0.096 0.000 2.020 445 K HA -0.193 4.127 4.320 -0.001 0.000 0.212 445 K C 1.947 178.560 176.600 0.022 0.000 1.050 445 K CA 1.478 57.747 56.287 -0.029 0.000 0.929 445 K CB -0.040 32.447 32.500 -0.022 0.000 0.714 445 K HN 0.009 nan 8.250 nan 0.000 0.443 446 R N 0.473 120.978 120.500 0.009 0.000 2.148 446 R HA -0.072 4.267 4.340 -0.001 0.000 0.227 446 R C 2.447 178.797 176.300 0.083 0.000 1.103 446 R CA 1.100 57.221 56.100 0.034 0.000 0.983 446 R CB -1.305 28.922 30.300 -0.122 0.000 0.874 446 R HN 0.371 nan 8.270 nan 0.000 0.451 447 C N 0.815 120.154 119.300 0.064 0.000 2.446 447 C HA -0.068 4.392 4.460 -0.001 0.000 0.277 447 C C 2.657 177.716 174.990 0.115 0.000 1.275 447 C CA 0.639 59.717 59.018 0.100 0.000 1.727 447 C CB -0.476 27.353 27.740 0.149 0.000 2.010 447 C HN 0.419 nan 8.230 nan 0.000 0.486 448 Q N 0.730 120.587 119.800 0.095 0.000 2.083 448 Q HA -0.095 4.244 4.340 -0.001 0.000 0.198 448 Q C 1.974 178.027 176.000 0.089 0.000 0.969 448 Q CA 1.365 57.218 55.803 0.084 0.000 0.838 448 Q CB -0.383 28.389 28.738 0.057 0.000 0.900 448 Q HN 0.650 nan 8.270 nan 0.000 0.436 449 E N -0.117 120.153 120.200 0.116 0.000 2.118 449 E HA -0.187 4.162 4.350 -0.001 0.000 0.195 449 E C 1.599 178.266 176.600 0.111 0.000 0.992 449 E CA 1.113 57.586 56.400 0.121 0.000 0.804 449 E CB -0.168 29.664 29.700 0.221 0.000 0.741 449 E HN 0.364 nan 8.360 nan 0.000 0.458 450 A N 0.100 123.043 122.820 0.206 0.000 2.167 450 A HA 0.170 4.490 4.320 -0.001 0.000 0.214 450 A C 1.806 179.452 177.584 0.103 0.000 1.151 450 A CA 0.955 53.104 52.037 0.187 0.000 0.735 450 A CB -0.303 18.852 19.000 0.257 0.000 0.802 450 A HN 0.362 nan 8.150 nan 0.000 0.467 451 G N -1.707 107.148 108.800 0.091 0.000 2.132 451 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.234 451 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.234 451 G C -0.054 174.909 174.900 0.106 0.000 0.989 451 G CA 0.337 45.486 45.100 0.080 0.000 0.676 451 G HN 0.445 nan 8.290 nan 0.000 0.522 452 L N 0.555 121.851 121.223 0.122 0.000 2.334 452 L HA 0.477 4.816 4.340 -0.001 0.000 0.273 452 L C 0.028 176.987 176.870 0.148 0.000 1.013 452 L CA -1.203 53.722 54.840 0.143 0.000 0.816 452 L CB 1.201 43.336 42.059 0.127 0.000 1.278 452 L HN -0.000 nan 8.230 nan 0.000 0.431 453 D N 1.378 121.890 120.400 0.187 0.000 2.414 453 D HA 0.049 4.688 4.640 -0.001 0.000 0.242 453 D C -0.510 175.827 176.300 0.061 0.000 1.129 453 D CA 0.231 54.331 54.000 0.167 0.000 0.885 453 D CB 1.271 42.219 40.800 0.246 0.000 1.198 453 D HN 0.160 nan 8.370 nan 0.000 0.437 454 F N 2.803 122.714 119.950 -0.066 0.000 2.456 454 F HA 0.340 4.866 4.527 -0.001 0.000 0.358 454 F C -0.342 175.244 175.800 -0.357 0.000 1.095 454 F CA -0.228 57.669 58.000 -0.172 0.000 1.216 454 F CB 0.284 39.191 39.000 -0.155 0.000 1.125 454 F HN 0.155 nan 8.300 nan 0.000 0.549 455 I N 5.842 125.633 120.570 -1.298 0.000 2.534 455 I HA 0.672 4.842 4.170 -0.001 0.000 0.288 455 I C -0.104 175.264 176.117 -1.248 0.000 1.077 455 I CA -0.656 59.983 61.300 -1.101 0.000 1.051 455 I CB 1.695 39.223 38.000 -0.787 0.000 1.234 455 I HN 0.817 nan 8.210 nan 0.000 0.425 456 G N 3.180 111.447 108.800 -0.888 0.000 2.576 456 G HA2 0.731 4.690 3.960 -0.001 0.000 0.290 456 G HA3 0.731 4.690 3.960 -0.001 0.000 0.290 456 G C -1.491 173.332 174.900 -0.128 0.000 1.442 456 G CA -0.479 44.342 45.100 -0.466 0.000 0.792 456 G HN 0.445 nan 8.290 nan 0.000 0.491 457 T N -0.475 114.043 114.554 -0.060 0.000 2.909 457 T HA 0.648 4.998 4.350 -0.001 0.000 0.299 457 T C -1.348 173.333 174.700 -0.031 0.000 1.073 457 T CA -0.496 61.619 62.100 0.025 0.000 0.999 457 T CB 1.799 70.674 68.868 0.012 0.000 1.098 457 T HN 0.341 nan 8.240 nan 0.000 0.477 458 F N 2.103 122.101 119.950 0.079 0.000 2.436 458 F HA 0.537 5.064 4.527 -0.001 0.000 0.340 458 F C 1.131 176.980 175.800 0.081 0.000 1.113 458 F CA -0.701 57.309 58.000 0.016 0.000 1.022 458 F CB 1.741 40.682 39.000 -0.099 0.000 1.128 458 F HN 0.637 nan 8.300 nan 0.000 0.466 459 T N 0.536 115.251 114.554 0.269 0.000 2.758 459 T HA 0.597 4.947 4.350 -0.001 0.000 0.285 459 T C -0.636 174.164 174.700 0.167 0.000 0.981 459 T CA -0.820 61.403 62.100 0.205 0.000 0.965 459 T CB 0.822 69.794 68.868 0.174 0.000 0.927 459 T HN 0.276 nan 8.240 nan 0.000 0.448 460 V N 4.330 124.353 119.914 0.182 0.000 2.389 460 V HA 0.574 4.694 4.120 -0.001 0.000 0.264 460 V C 1.254 177.410 176.094 0.104 0.000 1.049 460 V CA -0.299 62.092 62.300 0.152 0.000 0.932 460 V CB 0.204 32.154 31.823 0.212 0.000 1.011 460 V HN 1.145 nan 8.190 nan 0.000 0.475 461 G N 2.837 111.683 108.800 0.076 0.000 2.568 461 G HA2 0.437 4.397 3.960 -0.001 0.000 0.293 461 G HA3 0.437 4.397 3.960 -0.001 0.000 0.293 461 G C 0.520 175.461 174.900 0.068 0.000 1.347 461 G CA -0.604 44.525 45.100 0.049 0.000 1.039 461 G HN 0.599 nan 8.290 nan 0.000 0.523 462 M N -1.077 118.560 119.600 0.061 0.000 2.098 462 M HA 0.170 4.650 4.480 -0.001 0.000 0.262 462 M C 2.111 178.444 176.300 0.054 0.000 1.072 462 M CA 1.608 56.944 55.300 0.061 0.000 1.133 462 M CB 0.099 32.732 32.600 0.055 0.000 1.344 462 M HN 0.412 nan 8.290 nan 0.000 0.414 463 R N -0.233 120.300 120.500 0.055 0.000 2.565 463 R HA 0.207 4.547 4.340 -0.001 0.000 0.347 463 R C -0.904 175.427 176.300 0.053 0.000 1.010 463 R CA -0.008 56.119 56.100 0.046 0.000 1.126 463 R CB 0.525 30.850 30.300 0.042 0.000 1.331 463 R HN 0.424 nan 8.270 nan 0.000 0.552 464 E N -0.224 120.017 120.200 0.068 0.000 2.433 464 E HA 0.440 4.790 4.350 -0.001 0.000 0.278 464 E C -0.971 175.692 176.600 0.105 0.000 0.976 464 E CA -0.847 55.603 56.400 0.083 0.000 0.793 464 E CB 1.354 31.115 29.700 0.102 0.000 1.311 464 E HN -0.147 nan 8.360 nan 0.000 0.460 465 M N 1.358 121.028 119.600 0.117 0.000 2.326 465 M HA 0.377 4.857 4.480 -0.001 0.000 0.306 465 M C -1.328 175.118 176.300 0.242 0.000 1.054 465 M CA -0.906 54.498 55.300 0.175 0.000 0.922 465 M CB 1.885 34.554 32.600 0.115 0.000 1.632 465 M HN 0.576 nan 8.290 nan 0.000 0.436 466 H N 1.738 120.832 119.070 0.042 0.000 2.782 466 H HA 0.188 4.744 4.556 -0.001 0.000 0.285 466 H C -0.485 174.896 175.328 0.090 0.000 1.093 466 H CA 0.139 56.166 56.048 -0.035 0.000 1.410 466 H CB -0.076 29.562 29.762 -0.207 0.000 1.439 466 H HN 0.325 nan 8.280 nan 0.000 0.469 467 H N 5.335 124.421 119.070 0.027 0.000 2.820 467 H HA 0.132 4.688 4.556 -0.001 0.000 0.278 467 H C -0.520 174.720 175.328 -0.146 0.000 1.142 467 H CA -1.065 54.892 56.048 -0.152 0.000 1.346 467 H CB -0.184 29.430 29.762 -0.248 0.000 1.438 467 H HN 0.465 nan 8.280 nan 0.000 0.473 468 I N 7.465 128.119 120.570 0.140 0.000 2.269 468 I HA 0.037 4.207 4.170 -0.001 0.000 0.293 468 I C 0.199 176.303 176.117 -0.021 0.000 1.106 468 I CA -0.568 60.746 61.300 0.024 0.000 1.248 468 I CB 0.187 38.160 38.000 -0.045 0.000 1.444 468 I HN 0.225 nan 8.210 nan 0.000 0.497 469 V N 6.067 125.918 119.914 -0.104 0.000 2.415 469 V HA 0.028 4.148 4.120 -0.001 0.000 0.267 469 V C 0.417 176.461 176.094 -0.082 0.000 1.042 469 V CA -0.246 61.954 62.300 -0.166 0.000 1.000 469 V CB 0.548 32.343 31.823 -0.047 0.000 1.015 469 V HN 0.754 nan 8.190 nan 0.000 0.478 470 C N 7.126 126.257 119.300 -0.282 0.000 2.192 470 C HA 0.437 4.897 4.460 -0.001 0.000 0.337 470 C C 0.666 175.477 174.990 -0.298 0.000 1.103 470 C CA -1.046 57.798 59.018 -0.290 0.000 1.581 470 C CB -1.526 25.779 27.740 -0.725 0.000 2.070 470 C HN 0.661 nan 8.230 nan 0.000 0.485 471 I N 3.680 124.165 120.570 -0.142 0.000 2.421 471 I HA 0.200 4.370 4.170 -0.001 0.000 0.291 471 I C 0.326 176.495 176.117 0.088 0.000 1.089 471 I CA 0.514 61.799 61.300 -0.024 0.000 1.354 471 I CB 0.319 38.337 38.000 0.029 0.000 1.413 471 I HN 0.455 nan 8.210 nan 0.000 0.513 472 V N 9.049 129.036 119.914 0.122 0.000 2.513 472 V HA 0.696 4.815 4.120 -0.001 0.000 0.299 472 V C -0.818 175.436 176.094 0.267 0.000 1.035 472 V CA -0.355 62.044 62.300 0.165 0.000 0.889 472 V CB 1.526 33.475 31.823 0.210 0.000 0.988 472 V HN 0.568 nan 8.190 nan 0.000 0.440 473 F N 3.470 123.482 119.950 0.103 0.000 2.643 473 F HA 0.602 5.128 4.527 -0.001 0.000 0.314 473 F C -0.631 175.215 175.800 0.077 0.000 1.096 473 F CA -1.379 56.674 58.000 0.089 0.000 0.953 473 F CB 1.308 40.349 39.000 0.068 0.000 1.345 473 F HN 0.441 nan 8.300 nan 0.000 0.468 474 N N 1.983 120.829 118.700 0.244 0.000 2.399 474 N HA 0.068 4.807 4.740 -0.001 0.000 0.259 474 N C 0.524 176.181 175.510 0.245 0.000 1.160 474 N CA -0.154 52.978 53.050 0.137 0.000 0.946 474 N CB 0.976 39.541 38.487 0.131 0.000 1.156 474 N HN 0.875 nan 8.380 nan 0.000 0.489 475 K N 2.177 122.634 120.400 0.095 0.000 2.574 475 K HA -0.029 4.290 4.320 -0.001 0.000 0.193 475 K C 0.487 177.252 176.600 0.275 0.000 1.035 475 K CA 1.102 57.518 56.287 0.216 0.000 0.982 475 K CB 0.239 32.678 32.500 -0.103 0.000 0.795 475 K HN 0.330 nan 8.250 nan 0.000 0.491 476 K N 0.664 121.175 120.400 0.186 0.000 2.387 476 K HA 0.053 4.373 4.320 -0.001 0.000 0.203 476 K C -0.591 176.082 176.600 0.122 0.000 1.030 476 K CA -0.130 56.249 56.287 0.152 0.000 1.099 476 K CB 0.581 33.144 32.500 0.105 0.000 0.863 476 K HN 0.082 nan 8.250 nan 0.000 0.529 477 D N 1.108 121.596 120.400 0.146 0.000 2.473 477 D HA 0.096 4.736 4.640 -0.001 0.000 0.226 477 D C 0.814 177.178 176.300 0.107 0.000 1.089 477 D CA -0.407 53.661 54.000 0.113 0.000 0.883 477 D CB 0.899 41.766 40.800 0.112 0.000 1.029 477 D HN -0.126 nan 8.370 nan 0.000 0.517 478 L N 3.756 125.025 121.223 0.076 0.000 2.079 478 L HA -0.111 4.229 4.340 -0.001 0.000 0.210 478 L C 2.364 179.253 176.870 0.032 0.000 1.081 478 L CA 1.194 56.066 54.840 0.053 0.000 0.752 478 L CB -0.672 41.406 42.059 0.032 0.000 0.896 478 L HN 0.494 nan 8.230 nan 0.000 0.433 479 I N -0.647 119.940 120.570 0.029 0.000 2.179 479 I HA -0.305 3.864 4.170 -0.001 0.000 0.242 479 I C 2.807 178.934 176.117 0.017 0.000 1.088 479 I CA 1.555 62.864 61.300 0.014 0.000 1.357 479 I CB -0.229 37.776 38.000 0.009 0.000 1.051 479 I HN 0.446 nan 8.210 nan 0.000 0.409 480 Q N 1.327 121.151 119.800 0.040 0.000 2.172 480 Q HA -0.192 4.147 4.340 -0.001 0.000 0.200 480 Q C 2.064 178.057 176.000 -0.012 0.000 0.964 480 Q CA 1.227 57.058 55.803 0.047 0.000 0.855 480 Q CB 0.107 28.908 28.738 0.104 0.000 0.918 480 Q HN 0.386 nan 8.270 nan 0.000 0.444 481 K N 0.119 120.507 120.400 -0.020 0.000 2.103 481 K HA -0.153 4.166 4.320 -0.001 0.000 0.207 481 K C 2.239 178.771 176.600 -0.113 0.000 1.048 481 K CA 1.425 57.621 56.287 -0.150 0.000 0.930 481 K CB -0.082 32.398 32.500 -0.033 0.000 0.716 481 K HN 0.175 nan 8.250 nan 0.000 0.444 482 R N 0.916 121.397 120.500 -0.032 0.000 2.090 482 R HA -0.043 4.297 4.340 -0.001 0.000 0.228 482 R C 2.106 178.440 176.300 0.057 0.000 1.110 482 R CA 1.144 57.248 56.100 0.005 0.000 0.973 482 R CB 0.063 30.365 30.300 0.002 0.000 0.869 482 R HN 0.113 nan 8.270 nan 0.000 0.440 483 K N -0.014 120.412 120.400 0.043 0.000 2.097 483 K HA -0.076 4.244 4.320 -0.001 0.000 0.205 483 K C 1.983 178.657 176.600 0.124 0.000 1.050 483 K CA 1.146 57.502 56.287 0.115 0.000 0.938 483 K CB 0.064 32.604 32.500 0.068 0.000 0.718 483 K HN 0.005 nan 8.250 nan 0.000 0.442 484 V N 1.925 121.820 119.914 -0.032 0.000 2.261 484 V HA -0.293 3.826 4.120 -0.001 0.000 0.246 484 V C 2.192 178.242 176.094 -0.073 0.000 1.047 484 V CA 1.775 63.999 62.300 -0.126 0.000 1.015 484 V CB -0.614 30.946 31.823 -0.439 0.000 0.642 484 V HN 0.372 nan 8.190 nan 0.000 0.446 485 Q N -1.270 118.522 119.800 -0.012 0.000 2.135 485 Q HA -0.283 4.057 4.340 -0.001 0.000 0.204 485 Q C 2.056 178.126 176.000 0.117 0.000 0.981 485 Q CA 2.234 58.105 55.803 0.112 0.000 0.856 485 Q CB -0.376 28.444 28.738 0.136 0.000 0.902 485 Q HN 0.820 nan 8.270 nan 0.000 0.425 486 W N 1.437 122.721 121.300 -0.027 0.000 2.381 486 W HA -0.182 4.478 4.660 -0.001 0.000 0.301 486 W C 1.752 178.237 176.519 -0.057 0.000 1.205 486 W CA 0.978 58.308 57.345 -0.024 0.000 1.285 486 W CB -0.305 29.138 29.460 -0.028 0.000 1.133 486 W HN 0.143 nan 8.180 nan 0.000 0.521 487 L N 1.063 122.199 121.223 -0.144 0.000 1.955 487 L HA -0.197 4.143 4.340 -0.001 0.000 0.213 487 L C 2.551 179.115 176.870 -0.510 0.000 1.072 487 L CA 2.866 57.469 54.840 -0.396 0.000 0.755 487 L CB -1.516 40.481 42.059 -0.103 0.000 0.888 487 L HN 0.166 nan 8.230 nan 0.000 0.432 488 M N -0.236 119.118 119.600 -0.409 0.000 2.110 488 M HA -0.260 4.220 4.480 -0.001 0.000 0.257 488 M C 2.393 178.416 176.300 -0.461 0.000 1.071 488 M CA 1.956 56.933 55.300 -0.537 0.000 1.096 488 M CB -0.516 31.597 32.600 -0.812 0.000 1.300 488 M HN 0.201 nan 8.290 nan 0.000 0.411 489 R N -1.271 119.057 120.500 -0.286 0.000 2.105 489 R HA -0.137 4.203 4.340 -0.001 0.000 0.239 489 R C 1.996 178.136 176.300 -0.266 0.000 1.135 489 R CA 1.989 58.000 56.100 -0.149 0.000 0.967 489 R CB -1.032 29.259 30.300 -0.016 0.000 0.861 489 R HN 0.508 nan 8.270 nan 0.000 0.442 490 T N 1.540 115.792 114.554 -0.503 0.000 2.812 490 T HA -0.013 4.337 4.350 -0.001 0.000 0.264 490 T C 2.004 176.461 174.700 -0.405 0.000 1.042 490 T CA 0.687 62.480 62.100 -0.513 0.000 1.140 490 T CB -0.127 68.173 68.868 -0.946 0.000 0.870 490 T HN 0.112 nan 8.240 nan 0.000 0.445 491 L N 0.350 121.247 121.223 -0.544 0.000 2.042 491 L HA -0.100 4.239 4.340 -0.001 0.000 0.210 491 L C 2.450 179.084 176.870 -0.395 0.000 1.076 491 L CA 1.274 55.732 54.840 -0.637 0.000 0.749 491 L CB -0.624 40.666 42.059 -1.281 0.000 0.893 491 L HN 0.258 nan 8.230 nan 0.000 0.432 492 I N -0.216 120.211 120.570 -0.239 0.000 2.099 492 I HA -0.351 3.818 4.170 -0.001 0.000 0.239 492 I C 2.233 178.395 176.117 0.075 0.000 1.066 492 I CA 1.538 62.906 61.300 0.112 0.000 1.324 492 I CB -0.452 37.633 38.000 0.141 0.000 1.037 492 I HN 0.285 nan 8.210 nan 0.000 0.401 493 D N 0.877 121.272 120.400 -0.009 0.000 2.087 493 D HA -0.199 4.440 4.640 -0.001 0.000 0.192 493 D C 1.820 178.124 176.300 0.007 0.000 0.993 493 D CA 1.507 55.506 54.000 -0.002 0.000 0.828 493 D CB -0.641 40.142 40.800 -0.029 0.000 0.968 493 D HN 0.297 nan 8.370 nan 0.000 0.448 494 D N 0.091 120.479 120.400 -0.021 0.000 2.133 494 D HA -0.138 4.501 4.640 -0.001 0.000 0.195 494 D C 2.267 178.640 176.300 0.121 0.000 0.997 494 D CA 0.724 54.738 54.000 0.023 0.000 0.840 494 D CB -0.611 40.189 40.800 -0.001 0.000 0.947 494 D HN 0.246 nan 8.370 nan 0.000 0.452 495 C N 0.887 120.326 119.300 0.231 0.000 2.440 495 C HA 0.036 4.496 4.460 -0.001 0.000 0.278 495 C C 2.896 178.024 174.990 0.231 0.000 1.295 495 C CA 0.496 59.798 59.018 0.474 0.000 1.738 495 C CB -1.002 27.141 27.740 0.671 0.000 1.987 495 C HN 0.370 nan 8.230 nan 0.000 0.492 496 A N 0.821 123.714 122.820 0.123 0.000 1.877 496 A HA 0.036 4.355 4.320 -0.001 0.000 0.216 496 A C 2.370 179.921 177.584 -0.054 0.000 1.186 496 A CA 2.030 54.072 52.037 0.009 0.000 0.620 496 A CB -0.997 18.007 19.000 0.008 0.000 0.822 496 A HN 0.578 nan 8.150 nan 0.000 0.443 497 A N -0.422 122.373 122.820 -0.041 0.000 2.131 497 A HA -0.133 4.187 4.320 -0.001 0.000 0.220 497 A C 1.580 179.071 177.584 -0.156 0.000 1.158 497 A CA 1.376 53.369 52.037 -0.073 0.000 0.665 497 A CB -0.500 18.477 19.000 -0.038 0.000 0.795 497 A HN 0.599 nan 8.150 nan 0.000 0.460 498 N N -0.785 117.761 118.700 -0.256 0.000 2.251 498 N HA 0.193 4.932 4.740 -0.001 0.000 0.217 498 N C 0.844 175.832 175.510 -0.870 0.000 1.124 498 N CA 0.690 53.387 53.050 -0.588 0.000 0.843 498 N CB 0.476 38.465 38.487 -0.829 0.000 1.024 498 N HN 0.558 nan 8.380 nan 0.000 0.501 499 G N 0.726 109.236 108.800 -0.483 0.000 2.160 499 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.251 499 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.251 499 G C -0.541 174.150 174.900 -0.348 0.000 1.008 499 G CA -0.197 44.661 45.100 -0.404 0.000 0.724 499 G HN 0.274 nan 8.290 nan 0.000 0.514 500 W N -0.259 121.036 121.300 -0.009 0.000 2.702 500 W HA 0.703 5.363 4.660 -0.001 0.000 0.331 500 W C 0.458 176.953 176.519 -0.040 0.000 1.049 500 W CA -0.938 56.407 57.345 -0.001 0.000 1.230 500 W CB 1.931 31.423 29.460 0.055 0.000 1.408 500 W HN 0.481 nan 8.180 nan 0.000 0.492 501 G N 1.468 110.376 108.800 0.181 0.000 2.453 501 G HA2 0.542 4.502 3.960 -0.001 0.000 0.323 501 G HA3 0.542 4.502 3.960 -0.001 0.000 0.323 501 G C -1.245 173.740 174.900 0.143 0.000 1.198 501 G CA -0.547 44.585 45.100 0.053 0.000 0.959 501 G HN 0.231 nan 8.290 nan 0.000 0.482 502 E N -0.646 119.646 120.200 0.154 0.000 2.313 502 E HA 0.294 4.643 4.350 -0.001 0.000 0.272 502 E C 0.100 176.795 176.600 0.159 0.000 1.038 502 E CA -0.473 55.964 56.400 0.062 0.000 0.863 502 E CB 1.248 30.943 29.700 -0.008 0.000 1.060 502 E HN 0.572 nan 8.360 nan 0.000 0.402 503 Y N 1.910 122.157 120.300 -0.089 0.000 2.497 503 Y HA 0.368 4.918 4.550 -0.001 0.000 0.265 503 Y C 0.205 176.030 175.900 -0.125 0.000 1.111 503 Y CA -0.216 57.810 58.100 -0.124 0.000 1.288 503 Y CB 0.627 38.933 38.460 -0.257 0.000 1.082 503 Y HN 0.343 nan 8.280 nan 0.000 0.536 504 R N 0.559 120.612 120.500 -0.745 0.000 2.604 504 R HA 0.531 4.871 4.340 -0.001 0.000 0.261 504 R C -1.771 174.309 176.300 -0.366 0.000 1.080 504 R CA 0.139 55.738 56.100 -0.835 0.000 0.917 504 R CB 1.279 30.680 30.300 -1.499 0.000 1.252 504 R HN 0.240 nan 8.270 nan 0.000 0.456 505 T N -0.341 114.082 114.554 -0.218 0.000 2.731 505 T HA 0.332 4.682 4.350 -0.001 0.000 0.300 505 T C -1.044 173.888 174.700 0.387 0.000 1.283 505 T CA -0.920 61.322 62.100 0.236 0.000 1.005 505 T CB 0.834 69.905 68.868 0.339 0.000 1.420 505 T HN 0.615 nan 8.240 nan 0.000 0.503 506 H N 0.074 119.467 119.070 0.539 0.000 2.546 506 H HA 0.361 4.917 4.556 -0.001 0.000 0.365 506 H C 1.154 176.633 175.328 0.251 0.000 1.220 506 H CA -0.499 55.831 56.048 0.470 0.000 1.386 506 H CB 0.783 30.907 29.762 0.604 0.000 1.510 506 H HN 0.596 nan 8.280 nan 0.000 0.591 507 L N 2.294 123.354 121.223 -0.271 0.000 2.089 507 L HA -0.243 4.096 4.340 -0.001 0.000 0.213 507 L C 2.520 179.396 176.870 0.010 0.000 1.079 507 L CA 1.706 56.370 54.840 -0.293 0.000 0.758 507 L CB -0.612 40.821 42.059 -1.042 0.000 0.891 507 L HN 0.647 nan 8.230 nan 0.000 0.433 508 A N -1.503 121.491 122.820 0.289 0.000 2.206 508 A HA 0.003 4.323 4.320 -0.001 0.000 0.211 508 A C 1.412 178.685 177.584 -0.517 0.000 1.158 508 A CA 0.737 52.742 52.037 -0.054 0.000 0.761 508 A CB -0.365 18.406 19.000 -0.382 0.000 0.801 508 A HN 0.399 nan 8.150 nan 0.000 0.473 509 F N -1.859 118.291 119.950 0.334 0.000 2.706 509 F HA 0.319 4.846 4.527 -0.001 0.000 0.313 509 F C 1.796 177.732 175.800 0.228 0.000 1.096 509 F CA -0.245 57.909 58.000 0.256 0.000 1.219 509 F CB -0.323 38.827 39.000 0.251 0.000 1.051 509 F HN 0.052 nan 8.300 nan 0.000 0.568 510 M N 0.075 119.849 119.600 0.289 0.000 2.080 510 M HA -0.215 4.265 4.480 -0.001 0.000 0.260 510 M C 1.724 178.162 176.300 0.230 0.000 1.068 510 M CA 1.827 57.255 55.300 0.215 0.000 1.109 510 M CB -0.410 32.265 32.600 0.125 0.000 1.342 510 M HN 0.043 nan 8.290 nan 0.000 0.405 511 D N 0.072 120.631 120.400 0.265 0.000 2.087 511 D HA -0.225 4.415 4.640 -0.001 0.000 0.192 511 D C 1.909 178.352 176.300 0.239 0.000 0.993 511 D CA 1.399 55.562 54.000 0.273 0.000 0.828 511 D CB -0.659 40.326 40.800 0.309 0.000 0.968 511 D HN 0.482 nan 8.370 nan 0.000 0.448 512 Q N 0.304 120.252 119.800 0.248 0.000 2.112 512 Q HA -0.172 4.168 4.340 -0.001 0.000 0.206 512 Q C 2.445 178.592 176.000 0.244 0.000 0.987 512 Q CA 1.098 57.042 55.803 0.235 0.000 0.858 512 Q CB -0.114 28.784 28.738 0.265 0.000 0.905 512 Q HN 0.332 nan 8.270 nan 0.000 0.420 513 I N -0.134 120.605 120.570 0.282 0.000 2.252 513 I HA -0.264 3.906 4.170 -0.001 0.000 0.245 513 I C 2.413 178.743 176.117 0.354 0.000 1.102 513 I CA 0.694 62.175 61.300 0.301 0.000 1.385 513 I CB -0.128 38.052 38.000 0.299 0.000 1.064 513 I HN 0.358 nan 8.210 nan 0.000 0.414 514 M N 1.150 120.923 119.600 0.288 0.000 2.159 514 M HA -0.225 4.254 4.480 -0.001 0.000 0.263 514 M C 2.005 178.490 176.300 0.308 0.000 1.063 514 M CA 1.816 57.298 55.300 0.305 0.000 1.110 514 M CB -0.438 32.292 32.600 0.217 0.000 1.374 514 M HN 0.044 nan 8.290 nan 0.000 0.411 515 E N -0.889 119.448 120.200 0.230 0.000 2.267 515 E HA -0.150 4.199 4.350 -0.001 0.000 0.197 515 E C 1.673 178.367 176.600 0.157 0.000 0.998 515 E CA 1.808 58.314 56.400 0.177 0.000 0.830 515 E CB -0.598 29.184 29.700 0.136 0.000 0.751 515 E HN 0.530 nan 8.360 nan 0.000 0.491 516 T N -0.596 114.046 114.554 0.147 0.000 2.915 516 T HA -0.102 4.248 4.350 -0.001 0.000 0.269 516 T C -0.201 174.448 174.700 -0.084 0.000 1.071 516 T CA 0.731 62.841 62.100 0.016 0.000 1.132 516 T CB -0.250 68.607 68.868 -0.017 0.000 0.878 516 T HN 0.196 nan 8.240 nan 0.000 0.479 517 Y N 2.794 123.150 120.300 0.093 0.000 2.832 517 Y HA 0.273 4.822 4.550 -0.001 0.000 0.372 517 Y C 0.943 176.935 175.900 0.153 0.000 1.238 517 Y CA -1.085 57.058 58.100 0.071 0.000 1.713 517 Y CB -0.417 38.027 38.460 -0.028 0.000 1.809 517 Y HN 0.212 nan 8.280 nan 0.000 0.472 518 N N -1.383 117.452 118.700 0.226 0.000 2.234 518 N HA -0.048 4.692 4.740 -0.001 0.000 0.227 518 N C -0.155 175.474 175.510 0.199 0.000 1.151 518 N CA -0.580 52.595 53.050 0.208 0.000 0.865 518 N CB -0.291 38.277 38.487 0.134 0.000 1.066 518 N HN 0.394 nan 8.380 nan 0.000 0.515 519 W N 2.822 124.164 121.300 0.070 0.000 2.582 519 W HA -0.041 4.618 4.660 -0.001 0.000 0.336 519 W C 0.969 177.528 176.519 0.067 0.000 1.152 519 W CA 1.303 58.679 57.345 0.051 0.000 1.347 519 W CB -0.089 29.397 29.460 0.043 0.000 1.173 519 W HN 0.500 nan 8.180 nan 0.000 0.575 520 N N 4.664 122.748 118.700 -1.028 0.000 2.705 520 N HA -0.360 4.380 4.740 -0.001 0.000 0.255 520 N C -0.254 175.059 175.510 -0.328 0.000 1.008 520 N CA 0.829 53.337 53.050 -0.904 0.000 0.742 520 N CB -1.260 36.423 38.487 -1.341 0.000 0.906 520 N HN 0.787 nan 8.380 nan 0.000 0.541 521 N N -0.545 118.039 118.700 -0.194 0.000 2.725 521 N HA -0.183 4.556 4.740 -0.001 0.000 0.251 521 N C -0.293 175.223 175.510 0.010 0.000 1.031 521 N CA 1.310 54.319 53.050 -0.068 0.000 0.720 521 N CB -1.470 36.978 38.487 -0.066 0.000 0.930 521 N HN 0.584 nan 8.380 nan 0.000 0.543 522 S N -2.375 113.366 115.700 0.068 0.000 3.593 522 S HA -0.231 4.239 4.470 -0.001 0.000 0.301 522 S C 1.352 176.057 174.600 0.174 0.000 1.209 522 S CA 0.996 59.285 58.200 0.149 0.000 0.878 522 S CB -1.281 61.990 63.200 0.119 0.000 1.000 522 S HN 0.726 nan 8.310 nan 0.000 0.578 523 S N -0.177 115.620 115.700 0.161 0.000 2.380 523 S HA -0.197 4.273 4.470 -0.001 0.000 0.229 523 S C 1.316 176.063 174.600 0.246 0.000 1.043 523 S CA 2.124 60.431 58.200 0.178 0.000 1.038 523 S CB -0.318 62.988 63.200 0.177 0.000 0.872 523 S HN 0.674 nan 8.310 nan 0.000 0.456 524 F N 1.502 121.565 119.950 0.187 0.000 2.095 524 F HA -0.067 4.459 4.527 -0.001 0.000 0.298 524 F C 1.853 177.761 175.800 0.181 0.000 1.104 524 F CA 1.726 59.836 58.000 0.184 0.000 1.232 524 F CB -0.431 38.673 39.000 0.175 0.000 0.987 524 F HN 0.324 nan 8.300 nan 0.000 0.475 525 L N 0.385 121.710 121.223 0.170 0.000 2.240 525 L HA 0.011 4.351 4.340 -0.001 0.000 0.211 525 L C 2.301 179.190 176.870 0.031 0.000 1.106 525 L CA 1.191 56.058 54.840 0.046 0.000 0.793 525 L CB -0.699 41.455 42.059 0.158 0.000 0.927 525 L HN -0.105 nan 8.230 nan 0.000 0.446 526 R N -0.549 120.007 120.500 0.093 0.000 2.083 526 R HA -0.195 4.145 4.340 -0.001 0.000 0.237 526 R C 2.212 178.547 176.300 0.058 0.000 1.137 526 R CA 1.970 58.125 56.100 0.092 0.000 0.951 526 R CB -1.472 28.895 30.300 0.112 0.000 0.851 526 R HN 0.464 nan 8.270 nan 0.000 0.434 527 F N 2.573 122.474 119.950 -0.081 0.000 2.102 527 F HA -0.172 4.355 4.527 -0.001 0.000 0.298 527 F C 2.003 177.698 175.800 -0.175 0.000 1.105 527 F CA 1.384 59.315 58.000 -0.116 0.000 1.239 527 F CB -0.361 38.568 39.000 -0.118 0.000 0.991 527 F HN -0.007 nan 8.300 nan 0.000 0.474 528 N N 0.770 119.301 118.700 -0.282 0.000 2.061 528 N HA -0.225 4.514 4.740 -0.001 0.000 0.193 528 N C 1.816 177.177 175.510 -0.249 0.000 1.030 528 N CA 1.962 54.807 53.050 -0.342 0.000 0.856 528 N CB -0.556 37.719 38.487 -0.353 0.000 1.023 528 N HN 0.512 nan 8.380 nan 0.000 0.424 529 E N 0.416 120.538 120.200 -0.129 0.000 2.070 529 E HA -0.143 4.207 4.350 -0.001 0.000 0.197 529 E C 2.077 178.615 176.600 -0.103 0.000 1.004 529 E CA 1.025 57.392 56.400 -0.056 0.000 0.805 529 E CB -0.023 29.701 29.700 0.041 0.000 0.744 529 E HN 0.074 nan 8.360 nan 0.000 0.451 530 V N 1.358 121.181 119.914 -0.151 0.000 2.332 530 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 530 V C 2.285 178.238 176.094 -0.235 0.000 1.055 530 V CA 1.552 63.750 62.300 -0.169 0.000 1.038 530 V CB -0.421 31.297 31.823 -0.175 0.000 0.651 530 V HN 0.282 nan 8.190 nan 0.000 0.450 531 L N -0.231 120.768 121.223 -0.374 0.000 2.017 531 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 531 L C 2.597 179.340 176.870 -0.212 0.000 1.073 531 L CA 1.866 56.500 54.840 -0.343 0.000 0.745 531 L CB -0.651 41.142 42.059 -0.443 0.000 0.894 531 L HN 0.302 nan 8.230 nan 0.000 0.432 532 K N 0.707 120.994 120.400 -0.188 0.000 2.057 532 K HA -0.145 4.175 4.320 -0.001 0.000 0.207 532 K C 1.797 178.350 176.600 -0.077 0.000 1.049 532 K CA 1.523 57.735 56.287 -0.125 0.000 0.931 532 K CB -0.196 32.240 32.500 -0.107 0.000 0.714 532 K HN 0.229 nan 8.250 nan 0.000 0.440 533 N N 0.352 119.015 118.700 -0.061 0.000 2.331 533 N HA -0.084 4.656 4.740 -0.001 0.000 0.180 533 N C 1.557 177.046 175.510 -0.035 0.000 1.019 533 N CA 1.121 54.154 53.050 -0.029 0.000 0.881 533 N CB -0.151 38.329 38.487 -0.012 0.000 0.972 533 N HN 0.347 nan 8.380 nan 0.000 0.435 534 A N 1.028 123.812 122.820 -0.059 0.000 1.898 534 A HA -0.085 4.234 4.320 -0.001 0.000 0.216 534 A C 2.377 179.939 177.584 -0.038 0.000 1.181 534 A CA 1.753 53.760 52.037 -0.049 0.000 0.620 534 A CB -0.612 18.349 19.000 -0.066 0.000 0.819 534 A HN 0.211 nan 8.150 nan 0.000 0.442 535 V N -3.225 116.660 119.914 -0.047 0.000 3.235 535 V HA 0.156 4.276 4.120 -0.001 0.000 0.259 535 V C 0.416 176.503 176.094 -0.012 0.000 1.133 535 V CA 1.431 63.715 62.300 -0.027 0.000 1.128 535 V CB -0.097 31.706 31.823 -0.034 0.000 0.757 535 V HN 0.353 nan 8.190 nan 0.000 0.469 536 D N 1.210 121.602 120.400 -0.014 0.000 2.441 536 D HA 0.363 5.002 4.640 -0.001 0.000 0.287 536 D C -1.736 174.574 176.300 0.016 0.000 1.198 536 D CA -2.046 51.957 54.000 0.005 0.000 0.894 536 D CB 1.628 42.428 40.800 0.000 0.000 1.070 536 D HN 0.219 nan 8.370 nan 0.000 0.499 537 P HA -0.034 nan 4.420 nan 0.000 0.223 537 P C 0.558 177.877 177.300 0.032 0.000 1.151 537 P CA 0.571 63.682 63.100 0.018 0.000 0.787 537 P CB 0.562 32.268 31.700 0.010 0.000 0.788 538 N N -0.538 118.189 118.700 0.044 0.000 2.280 538 N HA 0.075 4.814 4.740 -0.001 0.000 0.192 538 N C 1.055 176.622 175.510 0.096 0.000 1.109 538 N CA 0.684 53.771 53.050 0.062 0.000 0.855 538 N CB -0.297 38.230 38.487 0.068 0.000 0.974 538 N HN 0.096 nan 8.380 nan 0.000 0.482 539 G N 2.353 111.208 108.800 0.092 0.000 2.386 539 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.295 539 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.295 539 G C 0.861 175.841 174.900 0.133 0.000 0.979 539 G CA 0.822 45.991 45.100 0.115 0.000 1.193 539 G HN 0.554 nan 8.290 nan 0.000 0.508 540 I N -2.775 117.854 120.570 0.097 0.000 3.854 540 I HA 0.416 4.586 4.170 -0.001 0.000 0.312 540 I C 0.618 176.778 176.117 0.072 0.000 1.273 540 I CA -0.253 61.118 61.300 0.118 0.000 1.298 540 I CB 0.225 38.310 38.000 0.141 0.000 1.071 540 I HN 0.055 nan 8.210 nan 0.000 0.428 541 I N 3.394 123.973 120.570 0.016 0.000 2.301 541 I HA 0.303 4.472 4.170 -0.001 0.000 0.292 541 I C 1.180 177.248 176.117 -0.080 0.000 1.046 541 I CA -0.728 60.554 61.300 -0.030 0.000 1.282 541 I CB 0.061 38.030 38.000 -0.053 0.000 1.409 541 I HN 0.347 nan 8.210 nan 0.000 0.484 542 A N 8.598 131.389 122.820 -0.048 0.000 2.151 542 A HA -0.148 4.172 4.320 -0.001 0.000 0.271 542 A C -1.917 175.589 177.584 -0.130 0.000 1.348 542 A CA -0.314 51.718 52.037 -0.008 0.000 0.763 542 A CB -1.785 17.002 19.000 -0.357 0.000 1.117 542 A HN 0.565 nan 8.150 nan 0.000 0.342 543 P HA 0.265 nan 4.420 nan 0.000 0.264 543 P C 1.231 177.991 177.300 -0.900 0.000 1.183 543 P CA 1.571 64.337 63.100 -0.557 0.000 0.763 543 P CB 0.663 31.822 31.700 -0.903 0.000 0.807 544 G N 1.571 109.547 108.800 -1.372 0.000 2.234 544 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.235 544 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.235 544 G C 0.279 174.707 174.900 -0.785 0.000 0.997 544 G CA 0.144 44.035 45.100 -2.015 0.000 0.623 544 G HN 0.754 nan 8.290 nan 0.000 0.514 545 K N 1.765 121.935 120.400 -0.384 0.000 2.453 545 K HA 0.431 4.751 4.320 -0.001 0.000 0.280 545 K C 1.226 177.703 176.600 -0.205 0.000 1.045 545 K CA 1.252 57.449 56.287 -0.150 0.000 1.059 545 K CB -0.168 32.221 32.500 -0.185 0.000 0.901 545 K HN 0.947 nan 8.250 nan 0.000 0.475 546 S N 2.731 118.359 115.700 -0.119 0.000 3.270 546 S HA -0.189 4.280 4.470 -0.001 0.000 0.293 546 S C 0.895 175.467 174.600 -0.047 0.000 1.278 546 S CA 1.401 59.551 58.200 -0.083 0.000 1.038 546 S CB -2.008 61.127 63.200 -0.109 0.000 1.218 546 S HN 1.470 nan 8.310 nan 0.000 0.659 547 G N -1.236 107.505 108.800 -0.098 0.000 2.176 547 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.253 547 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.253 547 G C -0.017 174.837 174.900 -0.078 0.000 0.979 547 G CA -0.043 45.057 45.100 -0.001 0.000 0.641 547 G HN 1.309 nan 8.290 nan 0.000 0.530 548 V N 0.580 120.348 119.914 -0.243 0.000 2.368 548 V HA 0.571 4.691 4.120 -0.001 0.000 0.266 548 V C 0.075 176.027 176.094 -0.237 0.000 1.045 548 V CA -0.428 61.788 62.300 -0.140 0.000 0.899 548 V CB 0.353 32.089 31.823 -0.146 0.000 1.006 548 V HN 0.286 nan 8.190 nan 0.000 0.470 549 W N 6.909 128.266 121.300 0.094 0.000 2.478 549 W HA 0.521 5.181 4.660 -0.001 0.000 0.318 549 W C -1.964 174.575 176.519 0.033 0.000 1.062 549 W CA -2.250 55.129 57.345 0.058 0.000 1.210 549 W CB 1.289 30.871 29.460 0.204 0.000 1.325 549 W HN 0.336 nan 8.180 nan 0.000 0.496 550 P HA -0.015 nan 4.420 nan 0.000 0.270 550 P C 0.710 178.141 177.300 0.218 0.000 1.223 550 P CA 0.144 63.347 63.100 0.172 0.000 0.785 550 P CB 1.024 32.822 31.700 0.164 0.000 0.923 551 S N 0.331 116.101 115.700 0.116 0.000 2.507 551 S HA -0.170 4.300 4.470 -0.001 0.000 0.235 551 S C 1.332 175.956 174.600 0.040 0.000 0.988 551 S CA 0.493 58.725 58.200 0.054 0.000 0.944 551 S CB -0.782 62.430 63.200 0.020 0.000 0.762 551 S HN 0.475 nan 8.310 nan 0.000 0.526 552 Q N 0.131 119.971 119.800 0.067 0.000 2.472 552 Q HA 0.129 4.469 4.340 -0.001 0.000 0.208 552 Q C -0.633 175.253 176.000 -0.191 0.000 0.958 552 Q CA 0.474 56.247 55.803 -0.050 0.000 0.932 552 Q CB -1.102 27.592 28.738 -0.073 0.000 1.007 552 Q HN 0.720 nan 8.270 nan 0.000 0.508 553 Y N 1.596 121.887 120.300 -0.015 0.000 2.593 553 Y HA 0.294 4.844 4.550 -0.001 0.000 0.331 553 Y C 0.285 176.160 175.900 -0.042 0.000 0.986 553 Y CA -1.022 57.035 58.100 -0.073 0.000 1.262 553 Y CB 1.101 39.459 38.460 -0.170 0.000 1.098 553 Y HN -0.036 nan 8.280 nan 0.000 0.506 554 S N 2.539 118.323 115.700 0.140 0.000 2.546 554 S HA -0.071 4.398 4.470 -0.001 0.000 0.290 554 S C 1.208 175.811 174.600 0.005 0.000 1.290 554 S CA -0.308 57.901 58.200 0.015 0.000 1.069 554 S CB 0.454 63.669 63.200 0.025 0.000 0.846 554 S HN 0.685 nan 8.310 nan 0.000 0.495 555 H N 3.818 122.864 119.070 -0.041 0.000 2.387 555 H HA -0.053 4.503 4.556 -0.001 0.000 0.299 555 H C 2.107 177.380 175.328 -0.091 0.000 1.090 555 H CA 1.644 57.623 56.048 -0.114 0.000 1.332 555 H CB -0.724 29.021 29.762 -0.027 0.000 1.386 555 H HN 0.501 nan 8.280 nan 0.000 0.516 556 V N 0.535 120.487 119.914 0.062 0.000 2.287 556 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 556 V C 2.406 178.451 176.094 -0.082 0.000 1.053 556 V CA 2.289 64.588 62.300 -0.002 0.000 1.027 556 V CB -0.768 31.047 31.823 -0.013 0.000 0.646 556 V HN 0.469 nan 8.190 nan 0.000 0.447 557 T N -1.503 112.962 114.554 -0.149 0.000 2.668 557 T HA -0.205 4.145 4.350 -0.001 0.000 0.262 557 T C 1.496 175.894 174.700 -0.503 0.000 1.045 557 T CA 2.006 63.886 62.100 -0.368 0.000 1.152 557 T CB -0.347 68.222 68.868 -0.499 0.000 0.864 557 T HN 0.597 nan 8.240 nan 0.000 0.419 558 W N 1.573 122.725 121.300 -0.247 0.000 2.640 558 W HA 0.268 4.927 4.660 -0.001 0.000 0.268 558 W C 1.016 177.391 176.519 -0.239 0.000 1.263 558 W CA -0.411 56.715 57.345 -0.365 0.000 1.344 558 W CB 0.051 28.895 29.460 -1.026 0.000 1.093 558 W HN -0.049 nan 8.180 nan 0.000 0.603 559 K N 1.377 121.770 120.400 -0.012 0.000 2.380 559 K HA 0.197 4.517 4.320 -0.001 0.000 0.267 559 K C -0.096 176.619 176.600 0.192 0.000 0.990 559 K CA 0.248 56.630 56.287 0.158 0.000 0.946 559 K CB 0.568 33.125 32.500 0.096 0.000 0.937 559 K HN -0.033 nan 8.250 nan 0.000 0.491 560 L N 0.000 121.375 121.223 0.253 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 560 L CA 0.000 54.955 54.840 0.192 0.000 0.813 560 L CB 0.000 42.193 42.059 0.223 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502