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 1c2b_1_A DATA FIRST_RESID 5 DATA SEQUENCE DPQLLVRVRG GQLRGIRLKA PGGPVSAFLG IPFAEPPVGS RRFMPPEPKR DATA SEQUENCE PWSGVLDATT FQNVcYQYVD TLYPGFEGTE MWNPNRELSE DcLYLNVWTP DATA SEQUENCE YPRPASPTPV LIWIYGGGFY SGAASLDVYD GRFLAQVEGA VLVSMNYRVG DATA SEQUENCE TFGFLALPGS REAPGNVGLL DQRLALQWVQ ENIAAFGGDP MSVTLFGESA DATA SEQUENCE GAASVGMHIL SLPSRSLFHR AVLQSGTPNG PWATVSAGEA RRRATLLARL DATA SEQUENCE VGcPPGGAGG NDTELIAcLR TRPAQDLVDH EWHVLPQESI FRFSFVPVVD DATA SEQUENCE GDFLSDTPEA LINTGDFQDL QVLVGVVKDE GSYFLVYGVP GFSKDNESLI DATA SEQUENCE SRAQFLAGVR IGVPQASDLA AEAVVLHYTD WLHPEDPTHL RDAMSAVVGD DATA SEQUENCE HNVVcPVAQL AGRLAAQGAR VYAYIFEHRA STLTWPLWMG VPHGYEIEFI DATA SEQUENCE FGLPLDPSLN YTTEERIFAQ RLMKYWTNFA RTGDPNDPRD SKSPQWPPYT DATA SEQUENCE TAAQQYVSLN LKPLEVRRGL RAQTcAFWNR FLPKLLSAT 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.351 176.300 0.085 0.000 2.045 5 D CA 0.000 54.044 54.000 0.074 0.000 0.868 5 D CB 0.000 40.856 40.800 0.094 0.000 0.688 6 P HA -0.090 nan 4.420 nan 0.000 0.226 6 P C 1.116 178.482 177.300 0.111 0.000 1.153 6 P CA 0.610 63.753 63.100 0.071 0.000 0.777 6 P CB 0.618 32.341 31.700 0.039 0.000 0.794 7 Q N 0.233 120.129 119.800 0.161 0.000 2.050 7 Q HA -0.018 4.321 4.340 -0.000 0.000 0.202 7 Q C 2.136 178.327 176.000 0.318 0.000 0.980 7 Q CA 1.161 57.117 55.803 0.254 0.000 0.840 7 Q CB -0.683 28.316 28.738 0.436 0.000 0.898 7 Q HN 0.398 nan 8.270 nan 0.000 0.424 8 L N 0.296 121.644 121.223 0.209 0.000 2.612 8 L HA 0.124 4.464 4.340 -0.000 0.000 0.230 8 L C 0.394 177.372 176.870 0.181 0.000 1.140 8 L CA -0.107 54.790 54.840 0.094 0.000 0.896 8 L CB 0.067 42.078 42.059 -0.081 0.000 1.065 8 L HN 0.058 nan 8.230 nan 0.000 0.447 9 L N 1.578 122.929 121.223 0.214 0.000 2.316 9 L HA 0.529 4.869 4.340 -0.000 0.000 0.280 9 L C -0.637 176.324 176.870 0.152 0.000 1.006 9 L CA -0.172 54.775 54.840 0.179 0.000 0.836 9 L CB 1.813 43.929 42.059 0.096 0.000 1.221 9 L HN -0.246 nan 8.230 nan 0.000 0.418 10 V N 4.452 124.467 119.914 0.168 0.000 2.789 10 V HA 0.534 4.653 4.120 -0.000 0.000 0.311 10 V C -0.176 175.899 176.094 -0.031 0.000 1.073 10 V CA -1.032 61.226 62.300 -0.070 0.000 0.921 10 V CB 2.502 34.030 31.823 -0.493 0.000 1.009 10 V HN 0.745 nan 8.190 nan 0.000 0.426 11 R N 3.189 123.635 120.500 -0.091 0.000 2.265 11 R HA 0.710 5.050 4.340 -0.000 0.000 0.319 11 R C -1.213 175.036 176.300 -0.086 0.000 1.006 11 R CA -0.049 56.016 56.100 -0.058 0.000 0.880 11 R CB 1.347 31.603 30.300 -0.073 0.000 1.077 11 R HN 0.493 nan 8.270 nan 0.000 0.454 12 V N 5.157 125.061 119.914 -0.015 0.000 3.093 12 V HA 0.347 4.467 4.120 -0.000 0.000 0.320 12 V C 1.489 177.529 176.094 -0.091 0.000 1.093 12 V CA -0.870 61.435 62.300 0.009 0.000 1.016 12 V CB 1.704 33.709 31.823 0.303 0.000 1.096 12 V HN 0.927 nan 8.190 nan 0.000 0.452 13 R N 1.139 121.576 120.500 -0.104 0.000 2.261 13 R HA -0.118 4.221 4.340 -0.000 0.000 0.236 13 R C 1.349 177.570 176.300 -0.132 0.000 1.141 13 R CA 1.643 57.677 56.100 -0.111 0.000 1.001 13 R CB -0.213 30.026 30.300 -0.101 0.000 0.866 13 R HN 0.898 nan 8.270 nan 0.000 0.468 14 G N -1.695 106.975 108.800 -0.217 0.000 3.596 14 G HA2 0.455 4.414 3.960 -0.000 0.000 0.274 14 G HA3 0.455 4.414 3.960 -0.000 0.000 0.274 14 G C -0.153 174.003 174.900 -1.239 0.000 1.007 14 G CA 0.218 45.044 45.100 -0.457 0.000 0.825 14 G HN 0.533 nan 8.290 nan 0.000 0.508 15 G N -0.701 107.493 108.800 -1.010 0.000 2.368 15 G HA2 0.249 4.209 3.960 -0.000 0.000 0.302 15 G HA3 0.249 4.209 3.960 -0.000 0.000 0.302 15 G C -1.371 173.314 174.900 -0.358 0.000 1.329 15 G CA -0.949 43.437 45.100 -1.190 0.000 0.935 15 G HN 0.198 nan 8.290 nan 0.000 0.590 16 Q N -0.718 119.069 119.800 -0.022 0.000 2.227 16 Q HA 0.738 5.078 4.340 -0.000 0.000 0.245 16 Q C -0.542 175.756 176.000 0.496 0.000 0.926 16 Q CA -0.365 55.573 55.803 0.225 0.000 0.895 16 Q CB 1.952 30.772 28.738 0.137 0.000 1.230 16 Q HN 0.460 nan 8.270 nan 0.000 0.450 17 L N 1.202 122.652 121.223 0.379 0.000 2.393 17 L HA 0.601 4.941 4.340 -0.000 0.000 0.260 17 L C -0.639 176.420 176.870 0.315 0.000 1.002 17 L CA -0.884 54.196 54.840 0.400 0.000 0.818 17 L CB 2.395 44.779 42.059 0.542 0.000 1.369 17 L HN 0.517 nan 8.230 nan 0.000 0.412 18 R N 0.902 121.517 120.500 0.192 0.000 2.409 18 R HA 0.681 5.021 4.340 -0.000 0.000 0.313 18 R C -0.174 176.040 176.300 -0.145 0.000 0.953 18 R CA -0.363 55.774 56.100 0.061 0.000 0.849 18 R CB 1.544 31.849 30.300 0.009 0.000 1.171 18 R HN 0.728 nan 8.270 nan 0.000 0.458 19 G N 3.333 111.831 108.800 -0.504 0.000 2.508 19 G HA2 0.376 4.336 3.960 -0.000 0.000 0.278 19 G HA3 0.376 4.336 3.960 -0.000 0.000 0.278 19 G C -0.678 173.875 174.900 -0.579 0.000 1.389 19 G CA -0.631 43.814 45.100 -1.093 0.000 1.050 19 G HN 0.706 nan 8.290 nan 0.000 0.522 20 I N -1.901 118.334 120.570 -0.559 0.000 2.802 20 I HA 0.576 4.746 4.170 -0.000 0.000 0.298 20 I C -0.558 175.347 176.117 -0.354 0.000 1.176 20 I CA -1.169 59.909 61.300 -0.370 0.000 1.025 20 I CB 2.345 40.159 38.000 -0.310 0.000 1.243 20 I HN 0.413 nan 8.210 nan 0.000 0.424 21 R N 5.999 126.311 120.500 -0.314 0.000 2.204 21 R HA 0.484 4.824 4.340 -0.000 0.000 0.341 21 R C -1.581 174.569 176.300 -0.249 0.000 1.035 21 R CA -0.664 55.228 56.100 -0.346 0.000 0.887 21 R CB 0.671 30.669 30.300 -0.504 0.000 1.114 21 R HN 0.540 nan 8.270 nan 0.000 0.473 22 L N 3.580 124.688 121.223 -0.192 0.000 2.379 22 L HA 0.351 4.691 4.340 -0.000 0.000 0.269 22 L C 0.097 176.910 176.870 -0.095 0.000 1.084 22 L CA 0.099 54.861 54.840 -0.129 0.000 0.802 22 L CB 1.253 43.260 42.059 -0.087 0.000 1.175 22 L HN 0.400 nan 8.230 nan 0.000 0.448 23 K N 1.974 122.328 120.400 -0.077 0.000 2.389 23 K HA 0.661 4.981 4.320 -0.000 0.000 0.261 23 K C -0.676 175.899 176.600 -0.041 0.000 1.014 23 K CA -0.390 55.869 56.287 -0.047 0.000 0.920 23 K CB 1.309 33.787 32.500 -0.035 0.000 1.149 23 K HN 0.724 nan 8.250 nan 0.000 0.444 24 A N 4.041 126.836 122.820 -0.042 0.000 2.286 24 A HA 0.374 4.694 4.320 -0.000 0.000 0.286 24 A C -1.723 175.895 177.584 0.056 0.000 1.097 24 A CA -1.451 50.558 52.037 -0.047 0.000 0.821 24 A CB 0.201 19.147 19.000 -0.089 0.000 1.076 24 A HN 0.463 nan 8.150 nan 0.000 0.490 25 P HA -0.166 nan 4.420 nan 0.000 0.216 25 P C 1.301 178.658 177.300 0.096 0.000 1.154 25 P CA 2.162 65.336 63.100 0.124 0.000 0.865 25 P CB 0.126 31.928 31.700 0.169 0.000 0.789 26 G N -2.238 106.624 108.800 0.104 0.000 3.088 26 G HA2 0.431 4.391 3.960 -0.000 0.000 0.212 26 G HA3 0.431 4.391 3.960 -0.000 0.000 0.212 26 G C 0.556 175.499 174.900 0.072 0.000 1.173 26 G CA 0.455 45.604 45.100 0.081 0.000 0.779 26 G HN 0.633 nan 8.290 nan 0.000 0.540 27 G N -0.393 108.448 108.800 0.069 0.000 2.357 27 G HA2 0.283 4.242 3.960 -0.000 0.000 0.289 27 G HA3 0.283 4.242 3.960 -0.000 0.000 0.289 27 G C -3.379 171.564 174.900 0.072 0.000 1.302 27 G CA -0.592 44.552 45.100 0.074 0.000 0.936 27 G HN 0.090 nan 8.290 nan 0.000 0.513 28 P HA 0.606 nan 4.420 nan 0.000 0.281 28 P C -0.589 176.804 177.300 0.156 0.000 1.249 28 P CA -0.403 62.761 63.100 0.107 0.000 0.810 28 P CB 1.844 33.669 31.700 0.208 0.000 1.008 29 V N 0.345 120.307 119.914 0.080 0.000 2.760 29 V HA 0.365 4.485 4.120 -0.000 0.000 0.309 29 V C 0.253 176.398 176.094 0.085 0.000 1.077 29 V CA -0.725 61.660 62.300 0.141 0.000 0.910 29 V CB 1.779 33.688 31.823 0.144 0.000 1.008 29 V HN 0.465 nan 8.190 nan 0.000 0.424 30 S N 2.189 118.018 115.700 0.216 0.000 2.562 30 S HA 0.789 5.259 4.470 -0.000 0.000 0.275 30 S C 0.098 174.788 174.600 0.149 0.000 1.281 30 S CA -0.052 58.257 58.200 0.183 0.000 1.045 30 S CB 1.276 64.754 63.200 0.463 0.000 0.962 30 S HN 1.297 nan 8.310 nan 0.000 0.503 31 A N 2.863 125.601 122.820 -0.137 0.000 2.414 31 A HA 0.696 5.016 4.320 -0.000 0.000 0.286 31 A C -1.309 176.018 177.584 -0.429 0.000 1.073 31 A CA -0.567 51.298 52.037 -0.286 0.000 0.727 31 A CB 0.439 19.147 19.000 -0.487 0.000 1.215 31 A HN 0.657 nan 8.150 nan 0.000 0.430 32 F N 3.187 123.000 119.950 -0.228 0.000 2.334 32 F HA 0.392 4.919 4.527 -0.000 0.000 0.343 32 F C -0.291 175.375 175.800 -0.224 0.000 1.136 32 F CA -0.767 57.170 58.000 -0.104 0.000 1.237 32 F CB 0.971 40.081 39.000 0.183 0.000 1.525 32 F HN 0.311 nan 8.300 nan 0.000 0.528 33 L N 1.791 122.866 121.223 -0.247 0.000 2.319 33 L HA 0.541 4.881 4.340 -0.000 0.000 0.280 33 L C 1.085 177.877 176.870 -0.130 0.000 1.099 33 L CA -0.168 54.510 54.840 -0.270 0.000 0.828 33 L CB 0.552 42.284 42.059 -0.544 0.000 1.150 33 L HN 0.754 nan 8.230 nan 0.000 0.442 34 G N 3.472 112.250 108.800 -0.036 0.000 2.134 34 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.209 34 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.209 34 G C 0.142 174.896 174.900 -0.243 0.000 0.993 34 G CA -0.375 44.636 45.100 -0.148 0.000 0.669 34 G HN 0.483 nan 8.290 nan 0.000 0.519 35 I N 2.687 123.206 120.570 -0.085 0.000 2.494 35 I HA 0.222 4.392 4.170 -0.000 0.000 0.289 35 I C -1.506 174.593 176.117 -0.030 0.000 1.106 35 I CA -1.901 59.341 61.300 -0.098 0.000 1.369 35 I CB 0.545 38.519 38.000 -0.043 0.000 1.410 35 I HN -0.088 nan 8.210 nan 0.000 0.523 36 P HA -0.101 nan 4.420 nan 0.000 0.262 36 P C -0.007 177.367 177.300 0.123 0.000 1.182 36 P CA 0.396 63.593 63.100 0.163 0.000 0.761 36 P CB 0.193 31.866 31.700 -0.044 0.000 0.795 37 F N 1.483 121.431 119.950 -0.003 0.000 2.746 37 F HA 0.693 5.220 4.527 -0.000 0.000 0.313 37 F C 0.283 176.120 175.800 0.061 0.000 1.095 37 F CA -0.498 57.435 58.000 -0.111 0.000 1.224 37 F CB 0.218 39.027 39.000 -0.317 0.000 1.060 37 F HN 0.338 nan 8.300 nan 0.000 0.584 38 A N 0.109 122.764 122.820 -0.275 0.000 2.609 38 A HA 0.560 4.879 4.320 -0.000 0.000 0.291 38 A C -1.041 176.455 177.584 -0.147 0.000 1.096 38 A CA -0.798 51.132 52.037 -0.178 0.000 0.684 38 A CB 0.889 19.674 19.000 -0.358 0.000 1.282 38 A HN 0.045 nan 8.150 nan 0.000 0.412 39 E N 1.507 121.670 120.200 -0.062 0.000 2.366 39 E HA 0.248 4.598 4.350 -0.000 0.000 0.266 39 E C -2.298 174.230 176.600 -0.120 0.000 1.015 39 E CA -1.318 55.053 56.400 -0.049 0.000 0.906 39 E CB 0.081 29.775 29.700 -0.010 0.000 0.979 39 E HN 0.228 nan 8.360 nan 0.000 0.443 40 P HA -0.064 nan 4.420 nan 0.000 0.259 40 P C -2.145 175.066 177.300 -0.147 0.000 1.163 40 P CA -0.477 62.520 63.100 -0.171 0.000 0.760 40 P CB 0.006 31.635 31.700 -0.118 0.000 0.762 41 P HA 0.028 nan 4.420 nan 0.000 0.220 41 P C -0.123 177.080 177.300 -0.162 0.000 1.793 41 P CA -0.034 62.977 63.100 -0.148 0.000 0.917 41 P CB -0.048 31.560 31.700 -0.153 0.000 1.755 42 V N -3.492 116.333 119.914 -0.148 0.000 3.234 42 V HA 0.840 4.960 4.120 -0.000 0.000 0.317 42 V C 1.226 177.242 176.094 -0.129 0.000 1.081 42 V CA 0.317 62.525 62.300 -0.153 0.000 1.037 42 V CB 0.336 32.077 31.823 -0.138 0.000 1.148 42 V HN 0.472 nan 8.190 nan 0.000 0.453 43 G N 1.982 110.704 108.800 -0.130 0.000 2.634 43 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.318 43 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.318 43 G C 1.128 175.967 174.900 -0.101 0.000 1.207 43 G CA 1.766 46.805 45.100 -0.102 0.000 0.987 43 G HN 2.338 nan 8.290 nan 0.000 0.547 44 S N 0.297 115.955 115.700 -0.070 0.000 2.631 44 S HA 0.297 4.767 4.470 -0.000 0.000 0.217 44 S C 1.857 176.423 174.600 -0.056 0.000 0.958 44 S CA 1.229 59.398 58.200 -0.051 0.000 0.920 44 S CB 0.455 63.640 63.200 -0.026 0.000 0.776 44 S HN 0.496 nan 8.310 nan 0.000 0.517 45 R N 1.594 122.043 120.500 -0.086 0.000 2.265 45 R HA 0.338 4.677 4.340 -0.000 0.000 0.194 45 R C 0.789 177.006 176.300 -0.138 0.000 0.931 45 R CA -0.244 55.805 56.100 -0.084 0.000 1.032 45 R CB -0.627 29.624 30.300 -0.081 0.000 0.980 45 R HN 0.483 nan 8.270 nan 0.000 0.497 46 R N 0.627 120.982 120.500 -0.241 0.000 2.583 46 R HA -0.128 4.211 4.340 -0.000 0.000 0.274 46 R C -0.321 175.677 176.300 -0.503 0.000 0.998 46 R CA 0.651 56.462 56.100 -0.481 0.000 1.081 46 R CB 0.038 29.887 30.300 -0.751 0.000 0.940 46 R HN 0.158 nan 8.270 nan 0.000 0.413 47 F N -0.844 119.101 119.950 -0.007 0.000 2.656 47 F HA -0.260 4.267 4.527 -0.000 0.000 0.381 47 F C -0.179 175.599 175.800 -0.036 0.000 0.603 47 F CA 0.297 58.274 58.000 -0.037 0.000 1.335 47 F CB -1.524 37.447 39.000 -0.048 0.000 1.836 47 F HN 0.424 nan 8.300 nan 0.000 0.290 48 M N 1.744 121.384 119.600 0.066 0.000 2.409 48 M HA 0.441 4.921 4.480 -0.000 0.000 0.329 48 M C -1.933 174.380 176.300 0.022 0.000 1.180 48 M CA -2.362 52.964 55.300 0.044 0.000 1.053 48 M CB 0.512 33.122 32.600 0.016 0.000 1.586 48 M HN -0.315 nan 8.290 nan 0.000 0.461 49 P HA 0.132 nan 4.420 nan 0.000 0.267 49 P C -2.565 174.754 177.300 0.031 0.000 1.200 49 P CA -0.652 62.471 63.100 0.039 0.000 0.772 49 P CB -0.822 30.913 31.700 0.059 0.000 0.855 50 P HA 0.244 nan 4.420 nan 0.000 0.274 50 P C -0.496 176.832 177.300 0.047 0.000 1.237 50 P CA 0.075 63.190 63.100 0.024 0.000 0.793 50 P CB 1.001 32.729 31.700 0.048 0.000 0.977 51 E N 1.165 121.381 120.200 0.026 0.000 2.238 51 E HA 0.385 4.735 4.350 -0.000 0.000 0.267 51 E C -2.392 174.251 176.600 0.072 0.000 0.887 51 E CA -2.669 53.763 56.400 0.053 0.000 0.769 51 E CB 1.505 31.228 29.700 0.038 0.000 1.187 51 E HN 0.323 nan 8.360 nan 0.000 0.416 52 P HA -0.045 nan 4.420 nan 0.000 0.267 52 P C -0.617 176.778 177.300 0.159 0.000 1.209 52 P CA -0.248 62.954 63.100 0.169 0.000 0.763 52 P CB 0.340 32.146 31.700 0.178 0.000 0.816 53 K N 4.526 125.041 120.400 0.191 0.000 2.511 53 K HA -0.027 4.293 4.320 -0.000 0.000 0.280 53 K C 0.260 177.012 176.600 0.254 0.000 1.008 53 K CA 0.512 56.921 56.287 0.204 0.000 1.050 53 K CB -0.046 32.614 32.500 0.267 0.000 0.889 53 K HN 0.358 nan 8.250 nan 0.000 0.484 54 R N 4.072 124.701 120.500 0.216 0.000 2.679 54 R HA 0.191 4.531 4.340 -0.000 0.000 0.269 54 R C -1.883 174.603 176.300 0.309 0.000 1.076 54 R CA -1.392 54.831 56.100 0.205 0.000 1.160 54 R CB 0.132 30.520 30.300 0.147 0.000 1.054 54 R HN 0.503 nan 8.270 nan 0.000 0.507 55 P HA 0.043 nan 4.420 nan 0.000 0.275 55 P C -1.367 176.045 177.300 0.186 0.000 1.227 55 P CA -0.275 62.876 63.100 0.085 0.000 0.781 55 P CB 0.322 31.983 31.700 -0.065 0.000 0.906 56 W N 1.591 122.932 121.300 0.068 0.000 2.647 56 W HA 0.694 5.354 4.660 -0.001 0.000 0.353 56 W C -0.018 176.527 176.519 0.043 0.000 1.080 56 W CA -0.983 56.393 57.345 0.052 0.000 1.208 56 W CB 0.193 29.686 29.460 0.054 0.000 1.396 56 W HN 0.427 nan 8.180 nan 0.000 0.573 57 S N 1.776 117.614 115.700 0.231 0.000 2.655 57 S HA 0.726 5.195 4.470 -0.000 0.000 0.265 57 S C 0.825 175.551 174.600 0.209 0.000 1.240 57 S CA 0.257 58.529 58.200 0.121 0.000 0.986 57 S CB 0.473 63.733 63.200 0.100 0.000 0.985 57 S HN 2.044 nan 8.310 nan 0.000 0.562 58 G N -0.106 108.768 108.800 0.123 0.000 2.591 58 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.278 58 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.278 58 G C -0.436 174.590 174.900 0.209 0.000 1.293 58 G CA -0.056 45.125 45.100 0.134 0.000 0.930 58 G HN 1.630 nan 8.290 nan 0.000 0.562 59 V N 1.178 121.203 119.914 0.184 0.000 2.311 59 V HA 0.417 4.537 4.120 -0.000 0.000 0.275 59 V C 0.485 176.699 176.094 0.200 0.000 1.022 59 V CA -0.663 61.764 62.300 0.211 0.000 0.830 59 V CB 1.142 33.040 31.823 0.125 0.000 1.012 59 V HN 0.797 nan 8.190 nan 0.000 0.452 60 L N 5.842 127.253 121.223 0.313 0.000 2.513 60 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 60 L C 0.454 177.326 176.870 0.004 0.000 1.187 60 L CA 0.468 55.315 54.840 0.012 0.000 0.895 60 L CB 0.390 42.270 42.059 -0.300 0.000 1.147 60 L HN 0.689 nan 8.230 nan 0.000 0.483 61 D N 4.419 124.777 120.400 -0.070 0.000 2.389 61 D HA 0.303 4.943 4.640 -0.000 0.000 0.247 61 D C -0.402 175.833 176.300 -0.109 0.000 1.128 61 D CA 0.329 54.285 54.000 -0.073 0.000 0.884 61 D CB 1.453 42.199 40.800 -0.090 0.000 1.194 61 D HN 0.702 nan 8.370 nan 0.000 0.441 62 A N 2.633 125.396 122.820 -0.095 0.000 2.676 62 A HA 0.122 4.442 4.320 -0.000 0.000 0.258 62 A C 0.826 178.294 177.584 -0.193 0.000 0.898 62 A CA -0.043 51.928 52.037 -0.108 0.000 1.087 62 A CB -0.312 18.715 19.000 0.045 0.000 1.214 62 A HN 0.563 nan 8.150 nan 0.000 0.474 63 T N -3.222 111.208 114.554 -0.206 0.000 3.107 63 T HA 0.322 4.672 4.350 -0.000 0.000 0.249 63 T C 0.556 175.094 174.700 -0.271 0.000 1.096 63 T CA 0.831 62.778 62.100 -0.255 0.000 1.012 63 T CB -0.023 68.723 68.868 -0.203 0.000 0.977 63 T HN 0.393 nan 8.240 nan 0.000 0.527 64 T N 0.114 114.520 114.554 -0.245 0.000 2.843 64 T HA 0.547 4.897 4.350 -0.000 0.000 0.302 64 T C -1.844 172.769 174.700 -0.145 0.000 1.232 64 T CA -0.789 61.175 62.100 -0.227 0.000 1.009 64 T CB 0.869 69.657 68.868 -0.133 0.000 1.254 64 T HN 0.027 nan 8.240 nan 0.000 0.504 65 F N 3.333 123.220 119.950 -0.106 0.000 2.504 65 F HA 0.382 4.909 4.527 -0.000 0.000 0.369 65 F C 1.257 177.028 175.800 -0.048 0.000 1.082 65 F CA -0.441 57.518 58.000 -0.069 0.000 1.216 65 F CB 0.763 39.735 39.000 -0.046 0.000 1.108 65 F HN 0.438 nan 8.300 nan 0.000 0.554 66 Q N 2.161 122.099 119.800 0.230 0.000 2.397 66 Q HA 0.144 4.484 4.340 -0.000 0.000 0.193 66 Q C -0.073 176.009 176.000 0.135 0.000 1.083 66 Q CA -0.435 55.470 55.803 0.169 0.000 1.108 66 Q CB 0.460 29.399 28.738 0.336 0.000 1.172 66 Q HN 0.480 nan 8.270 nan 0.000 0.617 67 N N -0.038 118.743 118.700 0.136 0.000 2.492 67 N HA 0.037 4.777 4.740 -0.000 0.000 0.262 67 N C -0.498 175.004 175.510 -0.013 0.000 1.202 67 N CA 0.029 53.103 53.050 0.041 0.000 0.926 67 N CB 0.533 39.038 38.487 0.030 0.000 1.078 67 N HN 0.185 nan 8.380 nan 0.000 0.454 68 V N 2.422 122.294 119.914 -0.071 0.000 2.655 68 V HA -0.051 4.069 4.120 -0.000 0.000 0.300 68 V C 0.994 177.016 176.094 -0.120 0.000 1.044 68 V CA -0.530 61.697 62.300 -0.121 0.000 1.095 68 V CB 0.299 32.027 31.823 -0.158 0.000 0.952 68 V HN 0.725 nan 8.190 nan 0.000 0.485 69 c N 4.415 122.943 118.600 -0.121 0.000 2.741 69 c HA 0.038 4.607 4.570 -0.000 0.000 0.403 69 c C 0.557 174.562 174.090 -0.140 0.000 1.282 69 c CA -0.551 55.702 56.329 -0.127 0.000 2.053 69 c CB -0.711 41.742 42.510 -0.094 0.000 2.731 69 c HN 0.730 nan 8.230 nan 0.000 0.680 70 Y N 2.926 123.036 120.300 -0.316 0.000 2.677 70 Y HA 0.293 4.843 4.550 -0.000 0.000 0.335 70 Y C 0.682 176.581 175.900 -0.002 0.000 1.162 70 Y CA 0.911 58.824 58.100 -0.311 0.000 1.483 70 Y CB -0.101 37.893 38.460 -0.777 0.000 1.209 70 Y HN 0.725 nan 8.280 nan 0.000 0.528 71 Q N 4.080 123.668 119.800 -0.352 0.000 2.522 71 Q HA 0.263 4.603 4.340 -0.000 0.000 0.285 71 Q C -1.635 174.391 176.000 0.043 0.000 0.982 71 Q CA -1.230 54.590 55.803 0.028 0.000 0.805 71 Q CB 1.299 30.064 28.738 0.045 0.000 1.457 71 Q HN 0.634 nan 8.270 nan 0.000 0.394 72 Y N 1.094 121.495 120.300 0.168 0.000 2.652 72 Y HA 0.326 4.875 4.550 -0.000 0.000 0.344 72 Y C -1.011 174.993 175.900 0.174 0.000 1.254 72 Y CA 0.268 58.494 58.100 0.210 0.000 1.480 72 Y CB 0.828 39.526 38.460 0.395 0.000 1.345 72 Y HN 0.487 nan 8.280 nan 0.000 0.617 73 V N 6.235 125.899 119.914 -0.417 0.000 2.495 73 V HA 0.110 4.230 4.120 -0.000 0.000 0.298 73 V C -0.449 175.501 176.094 -0.240 0.000 1.031 73 V CA -1.143 61.042 62.300 -0.191 0.000 0.871 73 V CB 1.637 33.350 31.823 -0.183 0.000 0.988 73 V HN 0.819 nan 8.190 nan 0.000 0.432 74 D N 3.005 123.512 120.400 0.178 0.000 2.348 74 D HA 0.160 4.800 4.640 -0.000 0.000 0.253 74 D C 0.613 177.002 176.300 0.149 0.000 1.161 74 D CA 0.105 54.300 54.000 0.326 0.000 0.876 74 D CB 1.761 42.842 40.800 0.467 0.000 1.160 74 D HN 0.699 nan 8.370 nan 0.000 0.459 75 T N 2.950 117.574 114.554 0.115 0.000 3.440 75 T HA -0.006 4.344 4.350 -0.000 0.000 0.209 75 T C 1.707 176.419 174.700 0.019 0.000 0.906 75 T CA -0.000 62.123 62.100 0.038 0.000 1.757 75 T CB -0.313 68.554 68.868 -0.002 0.000 1.568 75 T HN 0.451 nan 8.240 nan 0.000 0.454 76 L N 0.153 121.322 121.223 -0.089 0.000 3.431 76 L HA -0.280 4.060 4.340 -0.000 0.000 0.056 76 L C -0.390 176.220 176.870 -0.433 0.000 4.413 76 L CA 2.144 56.767 54.840 -0.362 0.000 0.544 76 L CB -1.418 40.312 42.059 -0.550 0.000 3.531 76 L HN 0.647 nan 8.230 nan 0.000 0.663 77 Y N 1.799 122.092 120.300 -0.012 0.000 2.863 77 Y HA 0.477 5.027 4.550 -0.001 0.000 0.348 77 Y C -2.135 173.802 175.900 0.062 0.000 1.028 77 Y CA -3.143 54.944 58.100 -0.021 0.000 1.213 77 Y CB 0.104 38.496 38.460 -0.113 0.000 1.120 77 Y HN 0.231 nan 8.280 nan 0.000 0.598 78 P HA 0.182 nan 4.420 nan 0.000 0.271 78 P C 0.985 178.341 177.300 0.094 0.000 1.226 78 P CA 0.861 64.019 63.100 0.097 0.000 0.765 78 P CB 1.316 33.043 31.700 0.046 0.000 0.835 79 G N 2.676 111.517 108.800 0.069 0.000 2.176 79 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.253 79 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.253 79 G C -0.217 174.716 174.900 0.055 0.000 0.979 79 G CA -0.244 44.878 45.100 0.035 0.000 0.641 79 G HN 0.556 nan 8.290 nan 0.000 0.530 80 F N 2.341 122.249 119.950 -0.070 0.000 2.424 80 F HA 0.551 5.078 4.527 -0.001 0.000 0.356 80 F C 1.335 177.029 175.800 -0.177 0.000 1.110 80 F CA -0.370 57.537 58.000 -0.155 0.000 1.161 80 F CB 0.956 39.834 39.000 -0.203 0.000 1.115 80 F HN 0.206 nan 8.300 nan 0.000 0.507 81 E N 3.969 123.698 120.200 -0.787 0.000 2.097 81 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 81 E C 2.060 178.069 176.600 -0.985 0.000 1.000 81 E CA 1.511 57.460 56.400 -0.752 0.000 0.804 81 E CB -0.290 29.064 29.700 -0.578 0.000 0.740 81 E HN 1.021 nan 8.360 nan 0.000 0.454 82 G N -0.070 107.509 108.800 -2.036 0.000 2.442 82 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.219 82 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.219 82 G C 1.646 176.519 174.900 -0.045 0.000 1.141 82 G CA 1.772 46.106 45.100 -1.278 0.000 0.763 82 G HN 0.478 nan 8.290 nan 0.000 0.554 83 T N -1.490 113.061 114.554 -0.006 0.000 3.004 83 T HA 0.123 4.473 4.350 -0.000 0.000 0.243 83 T C 1.971 176.840 174.700 0.280 0.000 1.020 83 T CA 0.866 63.296 62.100 0.549 0.000 1.145 83 T CB -0.051 69.174 68.868 0.595 0.000 0.876 83 T HN 0.111 nan 8.240 nan 0.000 0.449 84 E N 2.617 122.834 120.200 0.028 0.000 2.070 84 E HA -0.196 4.153 4.350 -0.000 0.000 0.197 84 E C 2.294 178.806 176.600 -0.146 0.000 1.004 84 E CA 1.748 58.123 56.400 -0.041 0.000 0.805 84 E CB -0.682 28.956 29.700 -0.103 0.000 0.744 84 E HN 0.794 nan 8.360 nan 0.000 0.451 85 M N -2.025 117.369 119.600 -0.343 0.000 2.419 85 M HA -0.149 4.331 4.480 -0.000 0.000 0.260 85 M C 1.535 177.442 176.300 -0.656 0.000 1.073 85 M CA 1.651 56.606 55.300 -0.576 0.000 1.056 85 M CB -0.684 31.428 32.600 -0.812 0.000 1.394 85 M HN 0.049 nan 8.290 nan 0.000 0.444 86 W N 0.654 121.904 121.300 -0.082 0.000 2.872 86 W HA 0.243 4.903 4.660 -0.000 0.000 0.266 86 W C 0.836 177.288 176.519 -0.110 0.000 1.276 86 W CA -1.028 56.258 57.345 -0.099 0.000 1.471 86 W CB -0.048 29.424 29.460 0.020 0.000 1.071 86 W HN 0.124 nan 8.180 nan 0.000 0.619 87 N N 1.680 120.439 118.700 0.099 0.000 2.371 87 N HA 0.070 4.810 4.740 -0.000 0.000 0.243 87 N C -2.344 173.120 175.510 -0.076 0.000 1.287 87 N CA -1.004 52.063 53.050 0.029 0.000 0.911 87 N CB -0.192 38.311 38.487 0.027 0.000 1.142 87 N HN -0.287 nan 8.380 nan 0.000 0.451 88 P HA 0.112 nan 4.420 nan 0.000 0.268 88 P C -0.020 177.199 177.300 -0.136 0.000 1.205 88 P CA -0.027 62.988 63.100 -0.141 0.000 0.771 88 P CB 0.351 31.965 31.700 -0.142 0.000 0.858 89 N N 0.946 119.550 118.700 -0.160 0.000 2.170 89 N HA 0.126 4.866 4.740 -0.000 0.000 0.222 89 N C 0.185 175.634 175.510 -0.102 0.000 1.218 89 N CA -0.118 52.852 53.050 -0.134 0.000 0.889 89 N CB 0.294 38.688 38.487 -0.156 0.000 1.083 89 N HN 0.084 nan 8.380 nan 0.000 0.520 90 R N 0.292 120.728 120.500 -0.107 0.000 2.922 90 R HA 0.441 4.781 4.340 -0.000 0.000 0.256 90 R C -0.393 175.867 176.300 -0.067 0.000 1.138 90 R CA -0.802 55.256 56.100 -0.070 0.000 0.995 90 R CB 0.467 30.725 30.300 -0.070 0.000 1.226 90 R HN 0.145 nan 8.270 nan 0.000 0.481 91 E N 0.755 120.930 120.200 -0.042 0.000 2.366 91 E HA 0.175 4.525 4.350 -0.000 0.000 0.266 91 E C -0.151 176.420 176.600 -0.048 0.000 1.051 91 E CA -0.261 56.116 56.400 -0.039 0.000 0.884 91 E CB 0.795 30.485 29.700 -0.017 0.000 1.006 91 E HN 0.220 nan 8.360 nan 0.000 0.417 92 L N 1.897 123.088 121.223 -0.053 0.000 2.439 92 L HA 0.190 4.530 4.340 -0.000 0.000 0.269 92 L C 0.381 177.283 176.870 0.053 0.000 1.179 92 L CA 0.317 55.116 54.840 -0.067 0.000 0.828 92 L CB 0.864 42.805 42.059 -0.196 0.000 1.106 92 L HN 0.477 nan 8.230 nan 0.000 0.467 93 S N 0.696 116.430 115.700 0.058 0.000 2.580 93 S HA 0.139 4.609 4.470 -0.000 0.000 0.281 93 S C 0.057 174.596 174.600 -0.103 0.000 1.129 93 S CA -0.761 57.450 58.200 0.017 0.000 0.862 93 S CB 1.238 64.421 63.200 -0.027 0.000 1.090 93 S HN 0.736 nan 8.310 nan 0.000 0.451 94 E N 0.967 121.040 120.200 -0.211 0.000 2.338 94 E HA -0.061 4.289 4.350 -0.000 0.000 0.197 94 E C -0.335 176.117 176.600 -0.247 0.000 1.007 94 E CA 0.575 56.787 56.400 -0.313 0.000 0.849 94 E CB 0.042 29.520 29.700 -0.369 0.000 0.774 94 E HN 0.555 nan 8.360 nan 0.000 0.506 95 D N 0.308 120.592 120.400 -0.192 0.000 2.468 95 D HA 0.030 4.670 4.640 -0.000 0.000 0.218 95 D C 0.044 176.183 176.300 -0.270 0.000 1.155 95 D CA -0.375 53.501 54.000 -0.208 0.000 0.924 95 D CB 0.106 40.843 40.800 -0.105 0.000 1.029 95 D HN 0.124 nan 8.370 nan 0.000 0.515 96 c N 2.345 120.676 118.600 -0.449 0.000 4.015 96 c HA 0.351 4.920 4.570 -0.000 0.000 0.323 96 c C 0.758 174.430 174.090 -0.697 0.000 1.724 96 c CA -0.621 55.419 56.329 -0.483 0.000 1.828 96 c CB -1.195 41.180 42.510 -0.224 0.000 3.083 96 c HN 0.442 nan 8.230 nan 0.000 0.640 97 L N 2.813 123.486 121.223 -0.916 0.000 2.382 97 L HA 0.308 4.648 4.340 -0.000 0.000 0.259 97 L C -0.722 175.518 176.870 -1.049 0.000 1.291 97 L CA 0.763 55.042 54.840 -0.935 0.000 1.176 97 L CB -0.830 40.625 42.059 -1.007 0.000 1.373 97 L HN 0.371 nan 8.230 nan 0.000 0.426 98 Y N 1.464 121.741 120.300 -0.039 0.000 2.633 98 Y HA 0.695 5.245 4.550 -0.000 0.000 0.339 98 Y C 0.125 176.232 175.900 0.344 0.000 1.045 98 Y CA -1.659 56.510 58.100 0.114 0.000 1.098 98 Y CB 1.645 40.119 38.460 0.023 0.000 1.296 98 Y HN 0.168 nan 8.280 nan 0.000 0.494 99 L N -0.464 120.959 121.223 0.332 0.000 2.250 99 L HA 0.801 5.141 4.340 -0.000 0.000 0.252 99 L C -1.177 175.748 176.870 0.093 0.000 1.054 99 L CA -1.019 53.902 54.840 0.135 0.000 0.856 99 L CB 1.624 43.578 42.059 -0.175 0.000 1.443 99 L HN 0.471 nan 8.230 nan 0.000 0.427 100 N N -0.803 117.967 118.700 0.118 0.000 2.321 100 N HA 0.790 5.530 4.740 -0.000 0.000 0.290 100 N C -1.629 173.908 175.510 0.045 0.000 1.212 100 N CA -0.422 52.641 53.050 0.020 0.000 0.767 100 N CB 2.784 41.254 38.487 -0.028 0.000 1.494 100 N HN 0.488 nan 8.380 nan 0.000 0.479 101 V N 0.851 120.709 119.914 -0.093 0.000 2.686 101 V HA 0.497 4.617 4.120 -0.000 0.000 0.306 101 V C -1.118 175.071 176.094 0.157 0.000 1.065 101 V CA -0.746 61.605 62.300 0.085 0.000 0.894 101 V CB 2.434 34.126 31.823 -0.218 0.000 1.004 101 V HN 0.552 nan 8.190 nan 0.000 0.424 102 W N 2.040 123.447 121.300 0.179 0.000 2.656 102 W HA 0.692 5.352 4.660 -0.000 0.000 0.327 102 W C -0.399 176.242 176.519 0.204 0.000 1.041 102 W CA -0.607 56.852 57.345 0.190 0.000 1.229 102 W CB 2.569 32.108 29.460 0.131 0.000 1.397 102 W HN 0.379 nan 8.180 nan 0.000 0.479 103 T N 3.632 118.464 114.554 0.462 0.000 2.909 103 T HA 0.368 4.718 4.350 -0.000 0.000 0.299 103 T C -2.568 172.320 174.700 0.314 0.000 1.073 103 T CA -1.347 60.969 62.100 0.359 0.000 0.999 103 T CB 2.561 71.658 68.868 0.382 0.000 1.098 103 T HN 0.047 nan 8.240 nan 0.000 0.477 104 P HA 0.125 nan 4.420 nan 0.000 0.271 104 P C -1.384 176.063 177.300 0.245 0.000 1.216 104 P CA -0.333 62.892 63.100 0.207 0.000 0.776 104 P CB 0.454 32.239 31.700 0.142 0.000 0.881 105 Y N 5.741 126.100 120.300 0.098 0.000 2.404 105 Y HA 0.380 4.929 4.550 -0.000 0.000 0.344 105 Y C -2.074 173.862 175.900 0.060 0.000 0.970 105 Y CA -2.373 55.776 58.100 0.082 0.000 1.180 105 Y CB 0.716 39.213 38.460 0.062 0.000 1.138 105 Y HN 0.309 nan 8.280 nan 0.000 0.510 106 P HA 0.356 nan 4.420 nan 0.000 0.285 106 P C -0.794 176.491 177.300 -0.026 0.000 1.280 106 P CA -0.786 62.153 63.100 -0.267 0.000 0.862 106 P CB 1.534 33.021 31.700 -0.356 0.000 1.153 107 R N 1.091 121.615 120.500 0.040 0.000 2.503 107 R HA -0.028 4.312 4.340 -0.000 0.000 0.271 107 R C -1.577 174.747 176.300 0.040 0.000 0.960 107 R CA -0.218 55.926 56.100 0.075 0.000 1.104 107 R CB -0.736 29.596 30.300 0.055 0.000 0.879 107 R HN 0.484 nan 8.270 nan 0.000 0.420 108 P HA -0.087 nan 4.420 nan 0.000 0.272 108 P C -0.190 177.122 177.300 0.019 0.000 1.248 108 P CA 0.224 63.349 63.100 0.042 0.000 0.799 108 P CB 0.441 32.175 31.700 0.055 0.000 0.997 109 A N -0.104 122.723 122.820 0.011 0.000 1.861 109 A HA 0.079 4.398 4.320 -0.000 0.000 0.212 109 A C 1.356 178.940 177.584 0.000 0.000 1.199 109 A CA 1.540 53.577 52.037 0.001 0.000 0.613 109 A CB -0.735 18.263 19.000 -0.002 0.000 0.846 109 A HN 0.598 nan 8.150 nan 0.000 0.446 110 S N -1.123 114.580 115.700 0.004 0.000 2.638 110 S HA 0.578 5.047 4.470 -0.000 0.000 0.302 110 S C -3.028 171.578 174.600 0.010 0.000 1.096 110 S CA -1.685 56.516 58.200 0.002 0.000 0.953 110 S CB 1.129 64.327 63.200 -0.003 0.000 1.107 110 S HN -0.013 nan 8.310 nan 0.000 0.503 111 P HA 0.064 nan 4.420 nan 0.000 0.243 111 P C -0.571 176.738 177.300 0.016 0.000 1.134 111 P CA 0.571 63.679 63.100 0.013 0.000 1.109 111 P CB -0.647 31.052 31.700 -0.001 0.000 1.140 112 T N 6.162 120.736 114.554 0.033 0.000 2.898 112 T HA 0.211 4.561 4.350 -0.000 0.000 0.301 112 T C -1.998 172.724 174.700 0.036 0.000 1.049 112 T CA -1.007 61.114 62.100 0.034 0.000 1.095 112 T CB 0.008 68.910 68.868 0.055 0.000 0.976 112 T HN 0.244 nan 8.240 nan 0.000 0.539 113 P HA 0.229 nan 4.420 nan 0.000 0.275 113 P C -0.771 176.562 177.300 0.055 0.000 1.228 113 P CA -0.380 62.733 63.100 0.022 0.000 0.786 113 P CB 0.572 32.265 31.700 -0.013 0.000 0.927 114 V N 1.055 121.019 119.914 0.084 0.000 2.483 114 V HA 0.458 4.578 4.120 -0.000 0.000 0.295 114 V C -0.366 175.808 176.094 0.133 0.000 1.035 114 V CA -1.011 61.362 62.300 0.121 0.000 0.896 114 V CB 1.398 33.311 31.823 0.150 0.000 0.986 114 V HN 0.187 nan 8.190 nan 0.000 0.447 115 L N 5.676 126.987 121.223 0.146 0.000 2.297 115 L HA 0.556 4.895 4.340 -0.000 0.000 0.277 115 L C -0.134 176.978 176.870 0.403 0.000 1.040 115 L CA -0.287 54.660 54.840 0.178 0.000 0.867 115 L CB 0.633 42.676 42.059 -0.026 0.000 1.244 115 L HN 0.641 nan 8.230 nan 0.000 0.433 116 I N 3.887 124.704 120.570 0.412 0.000 2.337 116 I HA 0.084 4.254 4.170 -0.000 0.000 0.291 116 I C -0.316 176.083 176.117 0.470 0.000 1.046 116 I CA -0.091 61.435 61.300 0.376 0.000 1.324 116 I CB 0.408 38.531 38.000 0.205 0.000 1.409 116 I HN 0.600 nan 8.210 nan 0.000 0.494 117 W N 8.901 130.323 121.300 0.203 0.000 2.417 117 W HA 0.529 5.188 4.660 -0.001 0.000 0.317 117 W C -1.494 174.915 176.519 -0.183 0.000 1.121 117 W CA -0.816 56.426 57.345 -0.170 0.000 1.208 117 W CB 1.091 30.441 29.460 -0.183 0.000 1.253 117 W HN 0.275 nan 8.180 nan 0.000 0.533 118 I N 9.111 128.942 120.570 -1.231 0.000 2.390 118 I HA 0.055 4.224 4.170 -0.000 0.000 0.283 118 I C -0.172 175.064 176.117 -1.469 0.000 1.016 118 I CA -1.102 59.545 61.300 -1.087 0.000 1.151 118 I CB 0.489 38.047 38.000 -0.737 0.000 1.293 118 I HN 0.326 nan 8.210 nan 0.000 0.458 119 Y N 4.634 124.404 120.300 -0.882 0.000 2.607 119 Y HA 0.577 5.126 4.550 -0.000 0.000 0.348 119 Y C 0.527 176.277 175.900 -0.250 0.000 1.261 119 Y CA -0.874 56.942 58.100 -0.472 0.000 1.480 119 Y CB 0.096 38.687 38.460 0.219 0.000 1.358 119 Y HN 0.494 nan 8.280 nan 0.000 0.630 120 G N -0.764 108.078 108.800 0.069 0.000 2.571 120 G HA2 0.546 4.506 3.960 -0.000 0.000 0.304 120 G HA3 0.546 4.506 3.960 -0.000 0.000 0.304 120 G C -0.476 174.346 174.900 -0.129 0.000 1.314 120 G CA -0.763 44.287 45.100 -0.084 0.000 0.975 120 G HN 1.370 nan 8.290 nan 0.000 0.485 121 G N -0.889 107.716 108.800 -0.325 0.000 4.836 121 G HA2 0.522 4.481 3.960 -0.000 0.000 0.222 121 G HA3 0.522 4.481 3.960 -0.000 0.000 0.222 121 G C 0.817 175.149 174.900 -0.946 0.000 1.332 121 G CA 0.841 45.594 45.100 -0.577 0.000 0.606 121 G HN 2.085 nan 8.290 nan 0.000 0.357 122 G N 0.145 108.377 108.800 -0.947 0.000 2.175 122 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.265 122 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.265 122 G C 0.880 175.438 174.900 -0.571 0.000 0.979 122 G CA 0.617 44.868 45.100 -1.415 0.000 0.663 122 G HN 1.477 nan 8.290 nan 0.000 0.533 123 F N -3.314 116.479 119.950 -0.263 0.000 2.748 123 F HA -0.291 4.235 4.527 -0.001 0.000 0.370 123 F C 1.409 177.263 175.800 0.090 0.000 0.620 123 F CA 2.168 60.139 58.000 -0.048 0.000 1.233 123 F CB -1.979 36.878 39.000 -0.240 0.000 1.708 123 F HN 0.960 nan 8.300 nan 0.000 0.298 124 Y N -1.035 119.328 120.300 0.106 0.000 2.453 124 Y HA 0.662 5.212 4.550 -0.001 0.000 0.247 124 Y C 0.643 176.622 175.900 0.132 0.000 1.124 124 Y CA 0.330 58.512 58.100 0.137 0.000 1.243 124 Y CB 0.033 38.551 38.460 0.096 0.000 1.213 124 Y HN 0.117 nan 8.280 nan 0.000 0.523 125 S N -0.531 114.898 115.700 -0.452 0.000 2.752 125 S HA 0.872 5.341 4.470 -0.000 0.000 0.284 125 S C -0.199 174.246 174.600 -0.257 0.000 1.189 125 S CA -0.393 57.620 58.200 -0.310 0.000 0.835 125 S CB 1.347 64.245 63.200 -0.503 0.000 1.192 125 S HN 1.433 nan 8.310 nan 0.000 0.506 126 G N -0.607 108.027 108.800 -0.276 0.000 2.539 126 G HA2 0.542 4.502 3.960 -0.000 0.000 0.686 126 G HA3 0.542 4.502 3.960 -0.000 0.000 0.686 126 G C -0.597 173.647 174.900 -1.093 0.000 1.258 126 G CA -0.293 44.509 45.100 -0.497 0.000 0.846 126 G HN 2.257 nan 8.290 nan 0.000 0.647 127 A N -0.453 121.610 122.820 -1.262 0.000 2.565 127 A HA 0.981 5.301 4.320 -0.000 0.000 0.298 127 A C 0.736 178.109 177.584 -0.351 0.000 1.062 127 A CA 0.819 52.270 52.037 -0.978 0.000 0.723 127 A CB 0.819 19.531 19.000 -0.480 0.000 1.282 127 A HN 2.595 nan 8.150 nan 0.000 0.400 128 A N 1.007 123.863 122.820 0.059 0.000 1.972 128 A HA 0.023 4.342 4.320 -0.000 0.000 0.219 128 A C 2.018 179.531 177.584 -0.120 0.000 1.169 128 A CA 2.450 54.690 52.037 0.339 0.000 0.635 128 A CB -0.788 18.499 19.000 0.479 0.000 0.810 128 A HN 1.558 nan 8.150 nan 0.000 0.446 129 S N -0.015 115.355 115.700 -0.549 0.000 2.462 129 S HA -0.068 4.402 4.470 -0.000 0.000 0.243 129 S C 0.783 174.955 174.600 -0.714 0.000 1.003 129 S CA 0.367 57.853 58.200 -1.190 0.000 0.970 129 S CB -0.743 62.011 63.200 -0.743 0.000 0.762 129 S HN 0.512 nan 8.310 nan 0.000 0.510 130 L N 1.965 122.888 121.223 -0.501 0.000 2.483 130 L HA 0.024 4.363 4.340 -0.000 0.000 0.275 130 L C 1.385 177.984 176.870 -0.452 0.000 1.220 130 L CA -0.364 54.156 54.840 -0.532 0.000 0.833 130 L CB 0.213 41.786 42.059 -0.811 0.000 1.102 130 L HN 0.032 nan 8.230 nan 0.000 0.490 131 D N 0.939 121.105 120.400 -0.391 0.000 2.084 131 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 131 D C 1.974 178.075 176.300 -0.331 0.000 0.990 131 D CA 1.503 55.344 54.000 -0.266 0.000 0.826 131 D CB -0.114 40.544 40.800 -0.236 0.000 0.971 131 D HN 0.512 nan 8.370 nan 0.000 0.453 132 V N -0.943 118.668 119.914 -0.505 0.000 3.186 132 V HA -0.166 3.953 4.120 -0.000 0.000 0.270 132 V C 0.583 176.288 176.094 -0.648 0.000 1.149 132 V CA 1.091 63.106 62.300 -0.476 0.000 1.160 132 V CB -1.253 30.297 31.823 -0.456 0.000 0.758 132 V HN 0.117 nan 8.190 nan 0.000 0.516 133 Y N 0.018 119.836 120.300 -0.803 0.000 2.708 133 Y HA 0.480 5.030 4.550 -0.000 0.000 0.287 133 Y C 0.701 176.005 175.900 -0.992 0.000 1.145 133 Y CA -2.155 55.028 58.100 -1.528 0.000 1.249 133 Y CB -0.898 36.869 38.460 -1.156 0.000 1.152 133 Y HN 0.234 nan 8.280 nan 0.000 0.532 134 D N 1.112 121.261 120.400 -0.419 0.000 2.357 134 D HA 0.058 4.698 4.640 -0.000 0.000 0.265 134 D C 1.420 177.505 176.300 -0.359 0.000 1.334 134 D CA 0.303 54.215 54.000 -0.147 0.000 0.984 134 D CB 0.820 41.657 40.800 0.062 0.000 1.077 134 D HN 0.527 nan 8.370 nan 0.000 0.514 135 G N 4.219 112.308 108.800 -1.184 0.000 2.990 135 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.206 135 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.206 135 G C 1.520 175.787 174.900 -1.056 0.000 1.169 135 G CA 0.032 44.419 45.100 -1.188 0.000 0.819 135 G HN 0.503 nan 8.290 nan 0.000 0.517 136 R N 0.016 120.016 120.500 -0.833 0.000 2.066 136 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 136 R C 1.802 177.896 176.300 -0.343 0.000 1.131 136 R CA 1.207 57.064 56.100 -0.405 0.000 0.955 136 R CB -0.927 29.196 30.300 -0.294 0.000 0.851 136 R HN 0.346 nan 8.270 nan 0.000 0.432 137 F N 1.855 121.770 119.950 -0.059 0.000 2.069 137 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 137 F C 2.533 178.301 175.800 -0.054 0.000 1.113 137 F CA 1.129 59.105 58.000 -0.040 0.000 1.214 137 F CB -0.744 38.224 39.000 -0.053 0.000 0.978 137 F HN -0.102 nan 8.300 nan 0.000 0.474 138 L N -0.246 121.025 121.223 0.081 0.000 2.261 138 L HA -0.194 4.145 4.340 -0.000 0.000 0.216 138 L C 2.448 179.323 176.870 0.007 0.000 1.114 138 L CA 1.069 55.904 54.840 -0.010 0.000 0.777 138 L CB -0.847 41.142 42.059 -0.117 0.000 0.910 138 L HN 0.224 nan 8.230 nan 0.000 0.440 139 A N -1.422 121.409 122.820 0.018 0.000 1.901 139 A HA -0.101 4.219 4.320 -0.000 0.000 0.210 139 A C 2.225 179.859 177.584 0.083 0.000 1.208 139 A CA 0.473 52.556 52.037 0.078 0.000 0.644 139 A CB -0.357 18.736 19.000 0.154 0.000 0.863 139 A HN 0.298 nan 8.150 nan 0.000 0.454 140 Q N 0.507 120.348 119.800 0.069 0.000 1.956 140 Q HA -0.158 4.182 4.340 -0.000 0.000 0.208 140 Q C 2.180 178.227 176.000 0.077 0.000 0.998 140 Q CA 2.611 58.459 55.803 0.076 0.000 0.855 140 Q CB -0.631 28.138 28.738 0.052 0.000 0.928 140 Q HN 0.342 nan 8.270 nan 0.000 0.418 141 V N 1.611 121.574 119.914 0.083 0.000 2.229 141 V HA -0.186 3.933 4.120 -0.000 0.000 0.243 141 V C 1.993 178.115 176.094 0.047 0.000 1.042 141 V CA 2.091 64.434 62.300 0.070 0.000 1.000 141 V CB -0.494 31.377 31.823 0.079 0.000 0.637 141 V HN 0.368 nan 8.190 nan 0.000 0.446 142 E N 0.176 120.398 120.200 0.037 0.000 2.476 142 E HA 0.146 4.495 4.350 -0.000 0.000 0.191 142 E C 1.512 178.128 176.600 0.027 0.000 1.064 142 E CA 0.705 57.117 56.400 0.021 0.000 0.866 142 E CB -0.194 29.508 29.700 0.003 0.000 0.952 142 E HN 0.677 nan 8.360 nan 0.000 0.492 143 G N 1.739 110.565 108.800 0.045 0.000 2.356 143 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.296 143 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.296 143 G C 0.274 175.210 174.900 0.060 0.000 1.022 143 G CA 0.488 45.623 45.100 0.057 0.000 0.961 143 G HN 0.451 nan 8.290 nan 0.000 0.510 144 A N -0.767 122.090 122.820 0.062 0.000 2.312 144 A HA 0.802 5.122 4.320 -0.000 0.000 0.328 144 A C 0.250 177.902 177.584 0.114 0.000 1.158 144 A CA -0.408 51.668 52.037 0.064 0.000 0.821 144 A CB 1.809 20.825 19.000 0.027 0.000 1.170 144 A HN 1.095 nan 8.150 nan 0.000 0.490 145 V N 3.177 123.168 119.914 0.128 0.000 2.389 145 V HA 0.244 4.364 4.120 -0.000 0.000 0.264 145 V C 0.045 176.258 176.094 0.199 0.000 1.049 145 V CA 0.052 62.462 62.300 0.183 0.000 0.932 145 V CB 0.365 32.293 31.823 0.176 0.000 1.011 145 V HN 0.722 nan 8.190 nan 0.000 0.475 146 L N 6.472 127.852 121.223 0.262 0.000 2.309 146 L HA 0.737 5.077 4.340 -0.000 0.000 0.282 146 L C -0.764 176.379 176.870 0.456 0.000 1.036 146 L CA -0.271 54.753 54.840 0.307 0.000 0.806 146 L CB 1.738 43.909 42.059 0.187 0.000 1.220 146 L HN 0.416 nan 8.230 nan 0.000 0.429 147 V N 3.015 123.189 119.914 0.433 0.000 2.638 147 V HA 0.566 4.686 4.120 -0.000 0.000 0.306 147 V C -0.570 175.810 176.094 0.477 0.000 1.052 147 V CA -0.508 62.048 62.300 0.428 0.000 0.885 147 V CB 1.977 33.958 31.823 0.263 0.000 0.999 147 V HN 0.816 nan 8.190 nan 0.000 0.424 148 S N 5.876 121.900 115.700 0.540 0.000 2.707 148 S HA 0.755 5.225 4.470 -0.000 0.000 0.303 148 S C -0.650 174.179 174.600 0.382 0.000 1.132 148 S CA -0.765 57.751 58.200 0.527 0.000 1.046 148 S CB 1.695 65.315 63.200 0.701 0.000 1.004 148 S HN 0.825 nan 8.310 nan 0.000 0.483 149 M N 1.810 121.551 119.600 0.236 0.000 2.649 149 M HA 0.668 5.148 4.480 -0.000 0.000 0.294 149 M C -1.334 175.195 176.300 0.381 0.000 1.206 149 M CA -0.315 55.104 55.300 0.198 0.000 0.928 149 M CB 0.392 32.930 32.600 -0.104 0.000 1.571 149 M HN 0.506 nan 8.290 nan 0.000 0.501 150 N N 1.449 120.424 118.700 0.459 0.000 2.399 150 N HA 0.625 5.365 4.740 -0.000 0.000 0.295 150 N C -1.609 174.181 175.510 0.468 0.000 1.048 150 N CA -0.072 53.287 53.050 0.515 0.000 0.886 150 N CB 1.082 39.746 38.487 0.295 0.000 1.185 150 N HN 0.675 nan 8.380 nan 0.000 0.487 151 Y N -1.496 118.929 120.300 0.208 0.000 2.477 151 Y HA 0.553 5.102 4.550 -0.000 0.000 0.347 151 Y C -0.053 175.938 175.900 0.152 0.000 0.981 151 Y CA -1.345 56.829 58.100 0.123 0.000 1.033 151 Y CB 0.847 39.321 38.460 0.023 0.000 1.245 151 Y HN 0.201 nan 8.280 nan 0.000 0.455 152 R N 2.590 123.119 120.500 0.048 0.000 2.458 152 R HA 0.356 4.696 4.340 -0.000 0.000 0.303 152 R C 0.155 176.482 176.300 0.045 0.000 1.013 152 R CA -0.007 56.095 56.100 0.004 0.000 1.026 152 R CB 0.259 30.559 30.300 0.000 0.000 0.948 152 R HN 0.729 nan 8.270 nan 0.000 0.417 153 V N 1.090 121.074 119.914 0.116 0.000 3.503 153 V HA 0.776 4.895 4.120 -0.000 0.000 0.294 153 V C 1.116 177.466 176.094 0.427 0.000 1.102 153 V CA -0.130 62.366 62.300 0.327 0.000 0.979 153 V CB 0.649 32.587 31.823 0.192 0.000 1.240 153 V HN 0.949 nan 8.190 nan 0.000 0.444 154 G N 0.981 110.061 108.800 0.467 0.000 2.578 154 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.284 154 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.284 154 G C 0.848 175.844 174.900 0.159 0.000 1.283 154 G CA 1.435 46.732 45.100 0.327 0.000 0.944 154 G HN 1.981 nan 8.290 nan 0.000 0.558 155 T N -0.814 113.548 114.554 -0.319 0.000 2.720 155 T HA -0.135 4.214 4.350 -0.000 0.000 0.268 155 T C 2.109 176.651 174.700 -0.264 0.000 1.037 155 T CA 2.542 64.229 62.100 -0.689 0.000 1.144 155 T CB -0.390 67.903 68.868 -0.957 0.000 0.864 155 T HN 0.505 nan 8.240 nan 0.000 0.444 156 F N 2.200 122.206 119.950 0.093 0.000 2.134 156 F HA 0.174 4.701 4.527 -0.000 0.000 0.299 156 F C 2.822 178.623 175.800 0.003 0.000 1.097 156 F CA 0.760 58.803 58.000 0.073 0.000 1.264 156 F CB -1.214 37.779 39.000 -0.012 0.000 1.001 156 F HN 0.305 nan 8.300 nan 0.000 0.479 157 G N -1.303 107.566 108.800 0.115 0.000 2.426 157 G HA2 -0.084 3.875 3.960 -0.000 0.000 0.214 157 G HA3 -0.084 3.875 3.960 -0.000 0.000 0.214 157 G C 1.048 175.523 174.900 -0.709 0.000 1.156 157 G CA 0.482 45.398 45.100 -0.308 0.000 0.802 157 G HN 0.369 nan 8.290 nan 0.000 0.534 158 F N -0.505 119.500 119.950 0.092 0.000 2.817 158 F HA 0.437 4.964 4.527 -0.000 0.000 0.333 158 F C 0.668 176.508 175.800 0.066 0.000 1.085 158 F CA -0.956 57.082 58.000 0.063 0.000 1.170 158 F CB 0.257 39.297 39.000 0.068 0.000 1.066 158 F HN -0.090 nan 8.300 nan 0.000 0.564 159 L N 2.253 123.483 121.223 0.012 0.000 2.640 159 L HA 0.326 4.665 4.340 -0.000 0.000 0.280 159 L C -0.018 176.794 176.870 -0.096 0.000 1.229 159 L CA 0.040 54.760 54.840 -0.200 0.000 0.919 159 L CB 0.152 41.785 42.059 -0.709 0.000 1.168 159 L HN 0.157 nan 8.230 nan 0.000 0.496 160 A N 5.606 128.436 122.820 0.017 0.000 2.475 160 A HA 0.732 5.052 4.320 -0.000 0.000 0.301 160 A C -1.345 176.217 177.584 -0.037 0.000 1.059 160 A CA -0.630 51.391 52.037 -0.027 0.000 0.710 160 A CB 1.548 20.571 19.000 0.038 0.000 1.288 160 A HN 0.606 nan 8.150 nan 0.000 0.408 161 L N 3.138 124.329 121.223 -0.053 0.000 2.445 161 L HA 0.364 4.704 4.340 -0.000 0.000 0.252 161 L C -2.240 174.621 176.870 -0.015 0.000 1.105 161 L CA -1.330 53.487 54.840 -0.038 0.000 0.943 161 L CB 1.338 43.364 42.059 -0.054 0.000 1.277 161 L HN 0.425 nan 8.230 nan 0.000 0.465 162 P HA 0.015 nan 4.420 nan 0.000 0.261 162 P C 1.046 178.349 177.300 0.006 0.000 1.158 162 P CA 1.270 64.374 63.100 0.006 0.000 0.758 162 P CB 0.701 32.405 31.700 0.007 0.000 0.763 163 G N 1.763 110.571 108.800 0.013 0.000 2.241 163 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 163 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 163 G C 0.380 175.288 174.900 0.013 0.000 0.998 163 G CA 0.326 45.435 45.100 0.014 0.000 0.621 163 G HN 0.907 nan 8.290 nan 0.000 0.519 164 S N 0.005 115.711 115.700 0.009 0.000 2.585 164 S HA 0.545 5.014 4.470 -0.000 0.000 0.273 164 S C 1.274 175.886 174.600 0.020 0.000 1.339 164 S CA 0.561 58.767 58.200 0.010 0.000 1.028 164 S CB 1.778 64.977 63.200 -0.001 0.000 0.906 164 S HN 0.461 nan 8.310 nan 0.000 0.528 165 R N 0.756 121.270 120.500 0.023 0.000 2.127 165 R HA 0.004 4.344 4.340 -0.000 0.000 0.217 165 R C 1.407 177.731 176.300 0.040 0.000 1.074 165 R CA 1.282 57.401 56.100 0.031 0.000 0.991 165 R CB -0.065 30.252 30.300 0.028 0.000 0.895 165 R HN 0.919 nan 8.270 nan 0.000 0.450 166 E N -1.013 119.214 120.200 0.044 0.000 2.474 166 E HA 0.112 4.461 4.350 -0.000 0.000 0.195 166 E C -0.355 176.307 176.600 0.104 0.000 1.039 166 E CA 0.139 56.581 56.400 0.071 0.000 0.881 166 E CB 1.218 30.963 29.700 0.074 0.000 0.970 166 E HN 0.164 nan 8.360 nan 0.000 0.486 167 A N 2.514 125.366 122.820 0.054 0.000 3.330 167 A HA 0.280 4.600 4.320 -0.000 0.000 0.256 167 A C -2.354 175.228 177.584 -0.003 0.000 1.185 167 A CA -0.745 51.307 52.037 0.025 0.000 0.940 167 A CB 0.815 19.741 19.000 -0.123 0.000 1.397 167 A HN -0.052 nan 8.150 nan 0.000 0.678 168 P HA 0.275 nan 4.420 nan 0.000 0.251 168 P C 0.822 178.137 177.300 0.025 0.000 1.223 168 P CA 1.342 64.457 63.100 0.025 0.000 0.796 168 P CB 0.453 32.176 31.700 0.039 0.000 1.068 169 G N 1.226 110.035 108.800 0.017 0.000 2.730 169 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 169 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 169 G C -0.052 174.835 174.900 -0.022 0.000 1.343 169 G CA -0.288 44.822 45.100 0.018 0.000 0.826 169 G HN 0.134 nan 8.290 nan 0.000 0.582 170 N N -2.406 116.276 118.700 -0.030 0.000 2.828 170 N HA -0.286 4.453 4.740 -0.000 0.000 0.248 170 N C 1.893 177.218 175.510 -0.308 0.000 1.044 170 N CA 2.409 55.366 53.050 -0.154 0.000 0.851 170 N CB -1.663 36.685 38.487 -0.231 0.000 1.136 170 N HN 1.931 nan 8.380 nan 0.000 0.572 171 V N -2.505 117.243 119.914 -0.277 0.000 2.720 171 V HA -0.002 4.118 4.120 -0.000 0.000 0.256 171 V C 2.278 178.216 176.094 -0.260 0.000 1.082 171 V CA 2.294 64.478 62.300 -0.193 0.000 1.101 171 V CB -0.867 30.899 31.823 -0.094 0.000 0.693 171 V HN 0.283 nan 8.190 nan 0.000 0.479 172 G N 0.128 108.572 108.800 -0.593 0.000 2.443 172 G HA2 -0.075 3.884 3.960 -0.000 0.000 0.219 172 G HA3 -0.075 3.884 3.960 -0.000 0.000 0.219 172 G C 1.505 176.381 174.900 -0.040 0.000 1.131 172 G CA 0.999 45.904 45.100 -0.326 0.000 0.775 172 G HN 0.535 nan 8.290 nan 0.000 0.547 173 L N -0.129 120.988 121.223 -0.176 0.000 2.095 173 L HA 0.132 4.472 4.340 -0.000 0.000 0.204 173 L C 2.798 179.693 176.870 0.042 0.000 1.080 173 L CA 0.291 55.041 54.840 -0.149 0.000 0.759 173 L CB -0.313 41.362 42.059 -0.639 0.000 0.914 173 L HN 0.159 nan 8.230 nan 0.000 0.439 174 L N -0.311 120.915 121.223 0.005 0.000 2.127 174 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 174 L C 2.165 179.143 176.870 0.181 0.000 1.089 174 L CA 1.063 56.008 54.840 0.174 0.000 0.757 174 L CB -0.745 41.389 42.059 0.125 0.000 0.899 174 L HN 0.316 nan 8.230 nan 0.000 0.434 175 D N 0.213 120.705 120.400 0.154 0.000 2.087 175 D HA -0.218 4.421 4.640 -0.000 0.000 0.192 175 D C 2.284 178.741 176.300 0.262 0.000 0.993 175 D CA 1.345 55.516 54.000 0.285 0.000 0.828 175 D CB -0.292 40.682 40.800 0.290 0.000 0.968 175 D HN 0.403 nan 8.370 nan 0.000 0.448 176 Q N 0.133 120.010 119.800 0.128 0.000 2.096 176 Q HA -0.169 4.170 4.340 -0.000 0.000 0.204 176 Q C 2.251 178.218 176.000 -0.055 0.000 0.982 176 Q CA 1.313 57.102 55.803 -0.022 0.000 0.850 176 Q CB -0.223 28.480 28.738 -0.058 0.000 0.901 176 Q HN 0.265 nan 8.270 nan 0.000 0.422 177 R N 1.011 121.559 120.500 0.079 0.000 2.081 177 R HA -0.133 4.206 4.340 -0.000 0.000 0.235 177 R C 2.191 178.509 176.300 0.030 0.000 1.131 177 R CA 1.033 57.133 56.100 0.001 0.000 0.960 177 R CB -0.341 30.064 30.300 0.176 0.000 0.856 177 R HN 0.327 nan 8.270 nan 0.000 0.436 178 L N 0.721 122.015 121.223 0.119 0.000 2.046 178 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 178 L C 2.432 179.335 176.870 0.055 0.000 1.077 178 L CA 1.895 56.845 54.840 0.183 0.000 0.747 178 L CB -0.772 41.498 42.059 0.352 0.000 0.896 178 L HN 0.437 nan 8.230 nan 0.000 0.432 179 A N -0.346 122.293 122.820 -0.302 0.000 1.933 179 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 179 A C 2.054 179.551 177.584 -0.146 0.000 1.175 179 A CA 1.322 52.969 52.037 -0.650 0.000 0.628 179 A CB -0.520 17.889 19.000 -0.986 0.000 0.814 179 A HN 0.396 nan 8.150 nan 0.000 0.444 180 L N 0.016 121.177 121.223 -0.104 0.000 2.017 180 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 180 L C 2.715 179.631 176.870 0.077 0.000 1.073 180 L CA 2.241 57.066 54.840 -0.024 0.000 0.745 180 L CB -1.103 40.884 42.059 -0.120 0.000 0.894 180 L HN 0.530 nan 8.230 nan 0.000 0.432 181 Q N -2.442 117.415 119.800 0.095 0.000 2.226 181 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 181 Q C 2.071 178.188 176.000 0.195 0.000 0.975 181 Q CA 1.781 57.660 55.803 0.127 0.000 0.866 181 Q CB -0.445 28.368 28.738 0.125 0.000 0.915 181 Q HN 0.649 nan 8.270 nan 0.000 0.440 182 W N 0.509 121.826 121.300 0.029 0.000 2.408 182 W HA -0.143 4.516 4.660 -0.001 0.000 0.311 182 W C 2.050 178.598 176.519 0.049 0.000 1.190 182 W CA 0.842 58.226 57.345 0.065 0.000 1.321 182 W CB -0.323 29.189 29.460 0.088 0.000 1.143 182 W HN -0.117 nan 8.180 nan 0.000 0.501 183 V N 1.277 121.495 119.914 0.507 0.000 2.278 183 V HA -0.403 3.717 4.120 -0.000 0.000 0.251 183 V C 2.490 178.631 176.094 0.078 0.000 1.062 183 V CA 2.693 65.175 62.300 0.303 0.000 1.038 183 V CB -0.836 31.145 31.823 0.263 0.000 0.646 183 V HN 0.336 nan 8.190 nan 0.000 0.447 184 Q N 0.989 120.838 119.800 0.081 0.000 1.998 184 Q HA -0.251 4.088 4.340 -0.000 0.000 0.209 184 Q C 1.931 177.916 176.000 -0.024 0.000 1.002 184 Q CA 2.610 58.439 55.803 0.044 0.000 0.858 184 Q CB -0.443 28.325 28.738 0.051 0.000 0.932 184 Q HN 0.923 nan 8.270 nan 0.000 0.416 185 E N -1.512 118.645 120.200 -0.071 0.000 2.365 185 E HA 0.042 4.392 4.350 -0.000 0.000 0.188 185 E C 0.177 176.624 176.600 -0.255 0.000 1.102 185 E CA 0.221 56.545 56.400 -0.127 0.000 0.927 185 E CB 0.138 29.786 29.700 -0.086 0.000 1.073 185 E HN 0.263 nan 8.360 nan 0.000 0.467 186 N N -0.212 118.279 118.700 -0.348 0.000 1.863 186 N HA 0.002 4.742 4.740 -0.000 0.000 0.226 186 N C 0.796 176.191 175.510 -0.192 0.000 1.421 186 N CA -0.003 52.784 53.050 -0.438 0.000 0.746 186 N CB 0.264 38.049 38.487 -1.170 0.000 1.059 186 N HN 0.108 nan 8.380 nan 0.000 0.518 187 I N 2.567 123.073 120.570 -0.107 0.000 2.493 187 I HA 0.020 4.189 4.170 -0.000 0.000 0.254 187 I C 2.215 178.450 176.117 0.197 0.000 1.160 187 I CA 0.825 62.186 61.300 0.102 0.000 1.445 187 I CB -0.349 37.706 38.000 0.091 0.000 1.086 187 I HN 0.110 nan 8.210 nan 0.000 0.433 188 A N 0.955 123.816 122.820 0.069 0.000 1.896 188 A HA -0.307 4.013 4.320 -0.000 0.000 0.220 188 A C 2.461 180.059 177.584 0.023 0.000 1.206 188 A CA 2.368 54.425 52.037 0.034 0.000 0.647 188 A CB -1.527 17.462 19.000 -0.017 0.000 0.828 188 A HN 0.538 nan 8.150 nan 0.000 0.455 189 A N -2.417 120.384 122.820 -0.033 0.000 2.234 189 A HA 0.132 4.451 4.320 -0.000 0.000 0.216 189 A C 1.302 178.646 177.584 -0.399 0.000 1.167 189 A CA 1.207 53.112 52.037 -0.220 0.000 0.698 189 A CB -0.691 18.107 19.000 -0.336 0.000 0.779 189 A HN 0.512 nan 8.150 nan 0.000 0.475 190 F N -1.602 118.291 119.950 -0.095 0.000 2.661 190 F HA 0.402 4.928 4.527 -0.000 0.000 0.306 190 F C 1.643 177.439 175.800 -0.007 0.000 1.094 190 F CA 0.255 58.203 58.000 -0.088 0.000 1.254 190 F CB 0.348 39.297 39.000 -0.086 0.000 1.040 190 F HN 0.279 nan 8.300 nan 0.000 0.562 191 G N 0.458 109.328 108.800 0.116 0.000 2.141 191 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.242 191 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.242 191 G C 0.554 175.516 174.900 0.104 0.000 0.982 191 G CA -0.215 44.938 45.100 0.087 0.000 0.662 191 G HN 0.730 nan 8.290 nan 0.000 0.527 192 G N -0.653 108.228 108.800 0.135 0.000 2.425 192 G HA2 0.503 4.463 3.960 -0.000 0.000 0.302 192 G HA3 0.503 4.463 3.960 -0.000 0.000 0.302 192 G C -0.815 174.130 174.900 0.076 0.000 1.159 192 G CA 0.073 45.241 45.100 0.114 0.000 0.865 192 G HN 0.199 nan 8.290 nan 0.000 0.515 193 D N 1.385 121.821 120.400 0.060 0.000 2.380 193 D HA 0.269 4.908 4.640 -0.000 0.000 0.230 193 D C -1.079 175.254 176.300 0.055 0.000 1.154 193 D CA -2.366 51.654 54.000 0.035 0.000 0.859 193 D CB 1.810 42.613 40.800 0.006 0.000 1.045 193 D HN 0.053 nan 8.370 nan 0.000 0.495 194 P HA -0.104 nan 4.420 nan 0.000 0.236 194 P C 0.916 178.300 177.300 0.140 0.000 1.172 194 P CA 0.420 63.577 63.100 0.094 0.000 0.759 194 P CB 0.294 32.029 31.700 0.059 0.000 0.843 195 M N -0.761 118.854 119.600 0.024 0.000 2.382 195 M HA 0.100 4.580 4.480 -0.000 0.000 0.247 195 M C 0.822 176.847 176.300 -0.458 0.000 1.104 195 M CA 0.144 55.333 55.300 -0.185 0.000 1.030 195 M CB -0.646 31.850 32.600 -0.172 0.000 1.424 195 M HN -0.108 nan 8.290 nan 0.000 0.486 196 S N 0.439 116.077 115.700 -0.104 0.000 2.204 196 S HA 0.441 4.911 4.470 -0.000 0.000 0.147 196 S C -0.855 173.840 174.600 0.158 0.000 1.711 196 S CA -0.585 57.591 58.200 -0.040 0.000 1.274 196 S CB 0.161 63.303 63.200 -0.097 0.000 1.257 196 S HN -0.081 nan 8.310 nan 0.000 0.404 197 V N 3.224 123.389 119.914 0.417 0.000 2.385 197 V HA 0.446 4.565 4.120 -0.000 0.000 0.269 197 V C 0.275 176.545 176.094 0.292 0.000 1.043 197 V CA -0.079 62.406 62.300 0.308 0.000 0.906 197 V CB 1.283 33.265 31.823 0.266 0.000 0.995 197 V HN 0.777 nan 8.190 nan 0.000 0.467 198 T N 7.283 121.973 114.554 0.227 0.000 2.842 198 T HA 0.498 4.848 4.350 -0.000 0.000 0.308 198 T C -0.081 174.796 174.700 0.296 0.000 1.041 198 T CA -0.265 61.978 62.100 0.238 0.000 0.964 198 T CB 0.279 69.222 68.868 0.125 0.000 0.972 198 T HN 0.345 nan 8.240 nan 0.000 0.460 199 L N 4.692 126.089 121.223 0.290 0.000 2.439 199 L HA 0.571 4.911 4.340 -0.000 0.000 0.269 199 L C -0.244 176.873 176.870 0.411 0.000 1.179 199 L CA -0.451 54.526 54.840 0.229 0.000 0.828 199 L CB 0.214 42.241 42.059 -0.052 0.000 1.106 199 L HN 0.629 nan 8.230 nan 0.000 0.467 200 F N 0.535 120.555 119.950 0.116 0.000 2.651 200 F HA 0.810 5.337 4.527 -0.001 0.000 0.329 200 F C -0.526 175.272 175.800 -0.004 0.000 1.186 200 F CA -0.974 57.137 58.000 0.185 0.000 1.046 200 F CB 0.914 40.148 39.000 0.390 0.000 1.296 200 F HN 0.440 nan 8.300 nan 0.000 0.497 201 G N 2.471 111.087 108.800 -0.307 0.000 2.695 201 G HA2 0.525 4.485 3.960 -0.000 0.000 0.290 201 G HA3 0.525 4.485 3.960 -0.000 0.000 0.290 201 G C -2.235 172.418 174.900 -0.412 0.000 1.410 201 G CA -0.772 43.788 45.100 -0.900 0.000 0.844 201 G HN 0.810 nan 8.290 nan 0.000 0.478 202 E N -0.116 119.795 120.200 -0.483 0.000 2.285 202 E HA 0.580 4.930 4.350 -0.000 0.000 0.254 202 E C 1.166 177.667 176.600 -0.164 0.000 1.011 202 E CA 0.092 56.404 56.400 -0.145 0.000 0.873 202 E CB 1.987 31.695 29.700 0.013 0.000 1.229 202 E HN 0.525 nan 8.360 nan 0.000 0.422 203 S N 0.446 116.110 115.700 -0.060 0.000 4.103 203 S HA -0.396 4.074 4.470 -0.000 0.000 0.538 203 S C 1.457 176.092 174.600 0.059 0.000 1.351 203 S CA 2.485 60.736 58.200 0.084 0.000 3.695 203 S CB -1.329 61.885 63.200 0.022 0.000 1.942 203 S HN 0.762 nan 8.310 nan 0.000 0.539 204 A N 0.732 123.450 122.820 -0.169 0.000 2.121 204 A HA 0.249 4.569 4.320 -0.000 0.000 0.218 204 A C 2.330 179.646 177.584 -0.446 0.000 1.154 204 A CA 1.872 53.649 52.037 -0.434 0.000 0.679 204 A CB -1.379 16.810 19.000 -1.353 0.000 0.795 204 A HN 1.178 nan 8.150 nan 0.000 0.458 205 G N -0.157 108.412 108.800 -0.384 0.000 2.421 205 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.216 205 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.216 205 G C 1.755 176.440 174.900 -0.358 0.000 1.171 205 G CA 1.291 46.103 45.100 -0.480 0.000 0.775 205 G HN 0.717 nan 8.290 nan 0.000 0.543 206 A N 1.411 124.082 122.820 -0.248 0.000 1.883 206 A HA 0.158 4.477 4.320 -0.000 0.000 0.217 206 A C 2.858 180.384 177.584 -0.096 0.000 1.186 206 A CA 2.566 54.530 52.037 -0.121 0.000 0.624 206 A CB -1.011 17.979 19.000 -0.017 0.000 0.822 206 A HN 0.919 nan 8.150 nan 0.000 0.444 207 A N -0.631 122.151 122.820 -0.064 0.000 1.948 207 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 207 A C 2.452 180.003 177.584 -0.056 0.000 1.177 207 A CA 2.320 54.319 52.037 -0.063 0.000 0.636 207 A CB -0.879 18.110 19.000 -0.019 0.000 0.815 207 A HN 0.484 nan 8.150 nan 0.000 0.449 208 S N -0.602 115.040 115.700 -0.096 0.000 2.345 208 S HA -0.121 4.349 4.470 -0.000 0.000 0.220 208 S C 1.916 176.354 174.600 -0.271 0.000 1.031 208 S CA 1.305 59.399 58.200 -0.176 0.000 0.996 208 S CB -0.612 62.425 63.200 -0.272 0.000 0.882 208 S HN 0.346 nan 8.310 nan 0.000 0.445 209 V N 1.989 121.784 119.914 -0.199 0.000 2.317 209 V HA -0.254 3.866 4.120 -0.000 0.000 0.251 209 V C 2.605 178.627 176.094 -0.121 0.000 1.065 209 V CA 2.072 64.287 62.300 -0.142 0.000 1.049 209 V CB -1.603 30.161 31.823 -0.099 0.000 0.651 209 V HN 0.617 nan 8.190 nan 0.000 0.450 210 G N -1.104 107.636 108.800 -0.101 0.000 2.469 210 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.219 210 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.219 210 G C 1.605 176.475 174.900 -0.049 0.000 1.150 210 G CA 1.248 46.303 45.100 -0.075 0.000 0.763 210 G HN 0.465 nan 8.290 nan 0.000 0.561 211 M N -0.502 119.047 119.600 -0.085 0.000 2.296 211 M HA 0.027 4.506 4.480 -0.000 0.000 0.265 211 M C 2.225 178.551 176.300 0.043 0.000 1.064 211 M CA 0.998 56.297 55.300 -0.002 0.000 1.109 211 M CB -0.205 32.402 32.600 0.011 0.000 1.396 211 M HN 0.386 nan 8.290 nan 0.000 0.430 212 H N -0.073 119.029 119.070 0.052 0.000 2.321 212 H HA -0.082 4.474 4.556 -0.000 0.000 0.300 212 H C 2.021 177.412 175.328 0.104 0.000 1.087 212 H CA 1.529 57.566 56.048 -0.017 0.000 1.319 212 H CB 0.008 29.592 29.762 -0.296 0.000 1.379 212 H HN 0.279 nan 8.280 nan 0.000 0.501 213 I N 0.247 120.966 120.570 0.248 0.000 2.264 213 I HA -0.237 3.932 4.170 -0.000 0.000 0.248 213 I C 1.429 177.714 176.117 0.280 0.000 1.111 213 I CA 0.650 62.185 61.300 0.391 0.000 1.382 213 I CB 0.008 38.155 38.000 0.245 0.000 1.060 213 I HN 0.270 nan 8.210 nan 0.000 0.418 214 L N -0.315 121.014 121.223 0.177 0.000 2.478 214 L HA 0.097 4.437 4.340 -0.000 0.000 0.223 214 L C 1.139 178.065 176.870 0.093 0.000 1.140 214 L CA 1.005 55.943 54.840 0.162 0.000 0.842 214 L CB -0.824 41.299 42.059 0.106 0.000 0.953 214 L HN 0.011 nan 8.230 nan 0.000 0.452 215 S N -0.529 115.193 115.700 0.037 0.000 2.429 215 S HA 0.285 4.755 4.470 -0.000 0.000 0.302 215 S C 1.100 175.651 174.600 -0.081 0.000 1.115 215 S CA -0.648 57.462 58.200 -0.150 0.000 1.095 215 S CB 0.837 63.694 63.200 -0.572 0.000 0.987 215 S HN 0.005 nan 8.310 nan 0.000 0.474 216 L N 7.266 128.441 121.223 -0.080 0.000 1.944 216 L HA 0.013 4.353 4.340 -0.000 0.000 0.218 216 L C -0.688 176.161 176.870 -0.036 0.000 1.075 216 L CA 2.050 56.868 54.840 -0.037 0.000 0.767 216 L CB -2.121 39.918 42.059 -0.034 0.000 0.890 216 L HN 0.491 nan 8.230 nan 0.000 0.434 217 P HA -0.166 nan 4.420 nan 0.000 0.218 217 P C 1.764 179.058 177.300 -0.011 0.000 1.152 217 P CA 1.755 64.828 63.100 -0.045 0.000 0.857 217 P CB -0.071 31.590 31.700 -0.065 0.000 0.787 218 S N -1.347 114.351 115.700 -0.004 0.000 2.507 218 S HA -0.070 4.400 4.470 -0.000 0.000 0.235 218 S C 1.785 176.561 174.600 0.293 0.000 0.988 218 S CA 0.554 58.821 58.200 0.112 0.000 0.944 218 S CB -0.466 62.836 63.200 0.169 0.000 0.762 218 S HN 0.096 nan 8.310 nan 0.000 0.526 219 R N 2.149 122.762 120.500 0.188 0.000 2.094 219 R HA -0.055 4.285 4.340 -0.000 0.000 0.239 219 R C 2.339 178.528 176.300 -0.185 0.000 1.137 219 R CA 1.788 57.898 56.100 0.016 0.000 0.943 219 R CB -1.585 28.696 30.300 -0.032 0.000 0.850 219 R HN 0.545 nan 8.270 nan 0.000 0.433 220 S N 1.222 116.872 115.700 -0.083 0.000 2.584 220 S HA -0.010 4.460 4.470 -0.000 0.000 0.240 220 S C 1.706 176.240 174.600 -0.111 0.000 0.975 220 S CA 0.661 58.798 58.200 -0.104 0.000 0.949 220 S CB -0.351 62.829 63.200 -0.033 0.000 0.761 220 S HN 0.289 nan 8.310 nan 0.000 0.536 221 L N -0.130 121.078 121.223 -0.026 0.000 2.693 221 L HA 0.516 4.855 4.340 -0.000 0.000 0.235 221 L C -0.056 176.843 176.870 0.049 0.000 1.127 221 L CA -0.482 54.373 54.840 0.024 0.000 0.914 221 L CB -0.299 41.799 42.059 0.066 0.000 1.193 221 L HN 0.405 nan 8.230 nan 0.000 0.502 222 F N -3.013 116.703 119.950 -0.389 0.000 2.713 222 F HA 0.525 5.052 4.527 -0.001 0.000 0.311 222 F C 0.124 175.577 175.800 -0.577 0.000 1.141 222 F CA -1.135 56.630 58.000 -0.392 0.000 0.939 222 F CB 0.911 39.839 39.000 -0.119 0.000 1.325 222 F HN -0.118 nan 8.300 nan 0.000 0.453 223 H N -1.011 118.035 119.070 -0.041 0.000 2.735 223 H HA 0.484 5.040 4.556 -0.001 0.000 0.250 223 H C 0.015 175.310 175.328 -0.054 0.000 0.948 223 H CA -0.134 55.816 56.048 -0.163 0.000 1.137 223 H CB 0.554 30.259 29.762 -0.095 0.000 1.440 223 H HN 0.381 nan 8.280 nan 0.000 0.444 224 R N 0.452 121.074 120.500 0.203 0.000 2.873 224 R HA 0.823 5.162 4.340 -0.000 0.000 0.264 224 R C -1.283 175.278 176.300 0.435 0.000 1.026 224 R CA -0.833 55.385 56.100 0.197 0.000 1.002 224 R CB 2.290 32.490 30.300 -0.167 0.000 1.174 224 R HN 0.214 nan 8.270 nan 0.000 0.488 225 A N 1.091 124.220 122.820 0.514 0.000 2.520 225 A HA 0.627 4.947 4.320 -0.000 0.000 0.298 225 A C -1.426 176.363 177.584 0.342 0.000 1.051 225 A CA -0.582 51.705 52.037 0.417 0.000 0.690 225 A CB 1.729 20.936 19.000 0.345 0.000 1.281 225 A HN 0.345 nan 8.150 nan 0.000 0.402 226 V N 1.509 121.600 119.914 0.295 0.000 2.680 226 V HA 0.674 4.793 4.120 -0.000 0.000 0.309 226 V C -1.116 175.114 176.094 0.225 0.000 1.052 226 V CA -0.502 61.934 62.300 0.227 0.000 0.908 226 V CB 1.631 33.714 31.823 0.433 0.000 1.001 226 V HN 0.711 nan 8.190 nan 0.000 0.431 227 L N 4.066 125.397 121.223 0.181 0.000 2.471 227 L HA 0.484 4.823 4.340 -0.000 0.000 0.263 227 L C -0.291 176.685 176.870 0.175 0.000 0.985 227 L CA -0.062 54.850 54.840 0.119 0.000 0.868 227 L CB 1.691 43.769 42.059 0.032 0.000 1.203 227 L HN 0.645 nan 8.230 nan 0.000 0.429 228 Q N 1.394 121.331 119.800 0.227 0.000 2.278 228 Q HA 0.497 4.836 4.340 -0.000 0.000 0.257 228 Q C 0.419 176.510 176.000 0.152 0.000 0.928 228 Q CA -0.613 55.359 55.803 0.281 0.000 0.932 228 Q CB 1.406 30.376 28.738 0.387 0.000 1.221 228 Q HN 0.553 nan 8.270 nan 0.000 0.434 229 S N 0.767 116.549 115.700 0.136 0.000 3.581 229 S HA -0.173 4.297 4.470 -0.000 0.000 0.354 229 S C 0.001 174.759 174.600 0.263 0.000 1.059 229 S CA 0.679 58.984 58.200 0.176 0.000 1.060 229 S CB -1.090 62.182 63.200 0.121 0.000 0.908 229 S HN 0.992 nan 8.310 nan 0.000 0.475 230 G N -0.628 108.280 108.800 0.180 0.000 2.616 230 G HA2 0.602 4.562 3.960 -0.000 0.000 0.294 230 G HA3 0.602 4.562 3.960 -0.000 0.000 0.294 230 G C -0.875 174.073 174.900 0.080 0.000 1.489 230 G CA 0.221 45.479 45.100 0.264 0.000 0.836 230 G HN 0.824 nan 8.290 nan 0.000 0.527 231 T N -1.549 112.980 114.554 -0.041 0.000 2.812 231 T HA 0.782 5.132 4.350 -0.000 0.000 0.294 231 T C -2.425 172.121 174.700 -0.257 0.000 1.159 231 T CA -1.302 60.709 62.100 -0.148 0.000 1.008 231 T CB 2.882 71.645 68.868 -0.175 0.000 1.289 231 T HN 0.296 nan 8.240 nan 0.000 0.514 232 P HA 0.089 nan 4.420 nan 0.000 0.240 232 P C 0.703 177.846 177.300 -0.262 0.000 1.190 232 P CA 0.423 63.394 63.100 -0.215 0.000 0.781 232 P CB 0.082 31.705 31.700 -0.127 0.000 0.931 233 N N -0.184 118.359 118.700 -0.263 0.000 2.325 233 N HA 0.003 4.743 4.740 -0.000 0.000 0.182 233 N C 1.194 176.524 175.510 -0.300 0.000 1.088 233 N CA 0.156 53.065 53.050 -0.235 0.000 0.879 233 N CB -0.655 37.736 38.487 -0.161 0.000 0.983 233 N HN -0.081 nan 8.380 nan 0.000 0.471 234 G N 2.269 110.807 108.800 -0.436 0.000 2.418 234 G HA2 0.079 4.039 3.960 -0.000 0.000 0.276 234 G HA3 0.079 4.039 3.960 -0.000 0.000 0.276 234 G C -1.121 173.511 174.900 -0.446 0.000 1.442 234 G CA -0.214 44.599 45.100 -0.478 0.000 1.066 234 G HN 0.170 nan 8.290 nan 0.000 0.553 235 P HA 0.039 nan 4.420 nan 0.000 0.235 235 P C 1.113 178.326 177.300 -0.145 0.000 1.177 235 P CA 1.064 64.001 63.100 -0.272 0.000 0.785 235 P CB 0.119 31.615 31.700 -0.341 0.000 0.885 236 W N -1.743 119.467 121.300 -0.150 0.000 2.868 236 W HA 0.608 5.268 4.660 -0.001 0.000 0.320 236 W C 0.654 177.259 176.519 0.142 0.000 1.076 236 W CA 0.329 57.667 57.345 -0.011 0.000 1.576 236 W CB -0.544 28.952 29.460 0.060 0.000 1.030 236 W HN -0.169 nan 8.180 nan 0.000 0.558 237 A N 1.965 124.525 122.820 -0.433 0.000 2.275 237 A HA 0.295 4.615 4.320 -0.000 0.000 0.212 237 A C 0.751 178.245 177.584 -0.149 0.000 1.201 237 A CA 1.315 53.233 52.037 -0.198 0.000 0.843 237 A CB -0.698 17.863 19.000 -0.731 0.000 0.873 237 A HN 0.199 nan 8.150 nan 0.000 0.492 238 T N -3.239 111.224 114.554 -0.151 0.000 2.853 238 T HA 0.599 4.949 4.350 -0.000 0.000 0.311 238 T C -0.689 173.948 174.700 -0.104 0.000 1.307 238 T CA -0.080 61.926 62.100 -0.158 0.000 1.019 238 T CB 1.315 70.094 68.868 -0.148 0.000 1.264 238 T HN 1.002 nan 8.240 nan 0.000 0.497 239 V N -1.133 118.723 119.914 -0.097 0.000 3.102 239 V HA 0.956 5.075 4.120 -0.000 0.000 0.312 239 V C 0.175 176.233 176.094 -0.059 0.000 1.135 239 V CA -0.740 61.516 62.300 -0.073 0.000 1.022 239 V CB 1.435 33.209 31.823 -0.082 0.000 1.056 239 V HN 1.412 nan 8.190 nan 0.000 0.436 240 S N 1.397 117.069 115.700 -0.047 0.000 2.655 240 S HA 0.726 5.195 4.470 -0.000 0.000 0.265 240 S C 1.360 175.944 174.600 -0.027 0.000 1.240 240 S CA -0.014 58.166 58.200 -0.033 0.000 0.986 240 S CB 1.182 64.365 63.200 -0.028 0.000 0.985 240 S HN 1.867 nan 8.310 nan 0.000 0.562 241 A N 1.192 124.002 122.820 -0.016 0.000 1.851 241 A HA 0.115 4.434 4.320 -0.000 0.000 0.216 241 A C 2.292 179.868 177.584 -0.013 0.000 1.195 241 A CA 1.872 53.904 52.037 -0.009 0.000 0.622 241 A CB -2.035 16.963 19.000 -0.003 0.000 0.831 241 A HN 1.180 nan 8.150 nan 0.000 0.444 242 G N -0.746 108.045 108.800 -0.015 0.000 2.513 242 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.219 242 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.219 242 G C 1.512 176.398 174.900 -0.023 0.000 1.160 242 G CA 1.225 46.315 45.100 -0.016 0.000 0.767 242 G HN 0.503 nan 8.290 nan 0.000 0.571 243 E N 0.550 120.731 120.200 -0.032 0.000 2.152 243 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 243 E C 2.957 179.524 176.600 -0.056 0.000 0.983 243 E CA 0.810 57.182 56.400 -0.046 0.000 0.818 243 E CB -0.273 29.392 29.700 -0.059 0.000 0.758 243 E HN 0.343 nan 8.360 nan 0.000 0.467 244 A N 1.566 124.360 122.820 -0.043 0.000 1.851 244 A HA -0.247 4.072 4.320 -0.000 0.000 0.216 244 A C 2.245 179.831 177.584 0.003 0.000 1.195 244 A CA 2.021 54.044 52.037 -0.023 0.000 0.622 244 A CB -0.625 18.375 19.000 0.001 0.000 0.831 244 A HN 0.194 nan 8.150 nan 0.000 0.444 245 R N -0.593 119.905 120.500 -0.004 0.000 2.094 245 R HA -0.199 4.140 4.340 -0.000 0.000 0.239 245 R C 2.472 178.771 176.300 -0.002 0.000 1.137 245 R CA 1.931 58.029 56.100 -0.003 0.000 0.943 245 R CB -0.395 29.900 30.300 -0.009 0.000 0.850 245 R HN 0.504 nan 8.270 nan 0.000 0.433 246 R N 0.582 121.074 120.500 -0.013 0.000 2.117 246 R HA -0.187 4.153 4.340 -0.000 0.000 0.243 246 R C 1.896 178.191 176.300 -0.009 0.000 1.143 246 R CA 2.216 58.308 56.100 -0.014 0.000 0.968 246 R CB -0.086 30.201 30.300 -0.023 0.000 0.863 246 R HN 0.338 nan 8.270 nan 0.000 0.444 247 R N -0.643 119.843 120.500 -0.024 0.000 2.240 247 R HA 0.146 4.485 4.340 -0.000 0.000 0.203 247 R C 2.122 178.516 176.300 0.157 0.000 1.011 247 R CA 0.704 56.796 56.100 -0.014 0.000 1.007 247 R CB -0.075 30.085 30.300 -0.234 0.000 0.911 247 R HN 0.178 nan 8.270 nan 0.000 0.468 248 A N 1.309 124.213 122.820 0.141 0.000 1.826 248 A HA -0.165 4.154 4.320 -0.000 0.000 0.214 248 A C 2.326 179.920 177.584 0.016 0.000 1.212 248 A CA 1.906 54.007 52.037 0.106 0.000 0.605 248 A CB -1.296 17.710 19.000 0.010 0.000 0.861 248 A HN 0.400 nan 8.150 nan 0.000 0.447 249 T N -1.077 113.474 114.554 -0.005 0.000 2.665 249 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 249 T C 1.800 176.496 174.700 -0.006 0.000 1.035 249 T CA 1.877 63.967 62.100 -0.018 0.000 1.151 249 T CB -0.749 68.110 68.868 -0.015 0.000 0.862 249 T HN 0.402 nan 8.240 nan 0.000 0.438 250 L N 0.981 122.212 121.223 0.013 0.000 2.012 250 L HA 0.124 4.463 4.340 -0.000 0.000 0.210 250 L C 2.458 179.337 176.870 0.014 0.000 1.073 250 L CA 1.839 56.687 54.840 0.013 0.000 0.748 250 L CB -1.197 40.875 42.059 0.022 0.000 0.891 250 L HN 0.393 nan 8.230 nan 0.000 0.431 251 L N -0.131 121.127 121.223 0.058 0.000 2.012 251 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 251 L C 2.557 179.406 176.870 -0.034 0.000 1.073 251 L CA 2.137 57.004 54.840 0.044 0.000 0.748 251 L CB -0.848 41.266 42.059 0.091 0.000 0.891 251 L HN 0.361 nan 8.230 nan 0.000 0.431 252 A N -0.263 122.530 122.820 -0.045 0.000 1.859 252 A HA -0.333 3.987 4.320 -0.000 0.000 0.217 252 A C 2.473 180.025 177.584 -0.052 0.000 1.198 252 A CA 2.293 54.296 52.037 -0.056 0.000 0.629 252 A CB -0.895 18.070 19.000 -0.059 0.000 0.830 252 A HN 0.521 nan 8.150 nan 0.000 0.446 253 R N -0.662 119.810 120.500 -0.047 0.000 2.113 253 R HA -0.160 4.179 4.340 -0.000 0.000 0.244 253 R C 2.033 178.283 176.300 -0.083 0.000 1.142 253 R CA 1.878 57.948 56.100 -0.049 0.000 0.953 253 R CB -0.533 29.745 30.300 -0.037 0.000 0.860 253 R HN 0.587 nan 8.270 nan 0.000 0.438 254 L N -0.169 120.969 121.223 -0.141 0.000 2.353 254 L HA -0.122 4.217 4.340 -0.000 0.000 0.220 254 L C 1.876 178.573 176.870 -0.288 0.000 1.133 254 L CA 0.519 55.182 54.840 -0.296 0.000 0.798 254 L CB -0.009 41.687 42.059 -0.605 0.000 0.922 254 L HN 0.109 nan 8.230 nan 0.000 0.445 255 V N -0.686 119.145 119.914 -0.138 0.000 3.578 255 V HA 0.251 4.370 4.120 -0.000 0.000 0.290 255 V C 1.361 177.449 176.094 -0.010 0.000 1.376 255 V CA 0.890 63.171 62.300 -0.030 0.000 1.083 255 V CB 0.345 32.174 31.823 0.010 0.000 0.911 255 V HN 0.645 nan 8.190 nan 0.000 0.433 256 G N -0.221 108.562 108.800 -0.028 0.000 2.141 256 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.242 256 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.242 256 G C 0.163 175.057 174.900 -0.009 0.000 0.982 256 G CA 0.057 45.150 45.100 -0.012 0.000 0.662 256 G HN 0.486 nan 8.290 nan 0.000 0.527 257 c N 2.981 121.572 118.600 -0.015 0.000 2.264 257 c HA 0.666 5.236 4.570 -0.000 0.000 0.324 257 c C -1.129 172.950 174.090 -0.018 0.000 1.267 257 c CA -1.432 54.890 56.329 -0.011 0.000 1.618 257 c CB 1.338 43.844 42.510 -0.007 0.000 2.278 257 c HN 0.459 nan 8.230 nan 0.000 0.499 258 P HA 0.355 nan 4.420 nan 0.000 0.278 258 P C -2.781 174.516 177.300 -0.006 0.000 1.258 258 P CA -1.420 61.676 63.100 -0.006 0.000 0.811 258 P CB 0.486 32.183 31.700 -0.005 0.000 1.063 259 P HA 0.301 nan 4.420 nan 0.000 0.284 259 P C 0.432 177.731 177.300 -0.001 0.000 1.253 259 P CA 0.694 63.793 63.100 -0.001 0.000 0.800 259 P CB 0.462 32.163 31.700 0.002 0.000 0.961 260 G N 2.010 110.809 108.800 -0.001 0.000 2.681 260 G HA2 -0.041 3.918 3.960 -0.000 0.000 0.220 260 G HA3 -0.041 3.918 3.960 -0.000 0.000 0.220 260 G C 0.299 175.198 174.900 -0.002 0.000 1.353 260 G CA -0.350 44.750 45.100 -0.001 0.000 0.872 260 G HN 0.715 nan 8.290 nan 0.000 0.557 261 G N -0.004 108.795 108.800 -0.002 0.000 3.782 261 G HA2 0.723 4.683 3.960 -0.000 0.000 0.288 261 G HA3 0.723 4.683 3.960 -0.000 0.000 0.288 261 G C 0.725 175.623 174.900 -0.002 0.000 1.300 261 G CA 1.384 46.483 45.100 -0.002 0.000 1.261 261 G HN 1.697 nan 8.290 nan 0.000 0.591 262 A N -0.018 122.800 122.820 -0.003 0.000 2.495 262 A HA 0.972 5.291 4.320 -0.000 0.000 0.260 262 A C 0.967 178.549 177.584 -0.003 0.000 1.608 262 A CA 0.360 52.395 52.037 -0.002 0.000 0.834 262 A CB 0.145 19.143 19.000 -0.002 0.000 1.526 262 A HN 1.853 nan 8.150 nan 0.000 0.578 263 G N -4.625 104.173 108.800 -0.003 0.000 2.347 263 G HA2 0.489 4.448 3.960 -0.000 0.000 0.477 263 G HA3 0.489 4.448 3.960 -0.000 0.000 0.477 263 G C 0.754 175.651 174.900 -0.004 0.000 1.349 263 G CA 0.480 45.577 45.100 -0.004 0.000 1.000 263 G HN 2.460 nan 8.290 nan 0.000 0.605 264 G N -0.694 108.103 108.800 -0.005 0.000 2.225 264 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.267 264 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.267 264 G C 0.209 175.108 174.900 -0.003 0.000 1.024 264 G CA 1.146 46.244 45.100 -0.004 0.000 0.784 264 G HN 1.607 nan 8.290 nan 0.000 0.507 265 N N 0.099 118.797 118.700 -0.004 0.000 2.609 265 N HA 0.252 4.992 4.740 -0.000 0.000 0.268 265 N C 0.488 175.996 175.510 -0.004 0.000 1.106 265 N CA -0.381 52.668 53.050 -0.001 0.000 0.823 265 N CB 1.111 39.598 38.487 0.001 0.000 1.263 265 N HN -0.018 nan 8.380 nan 0.000 0.533 266 D N 1.094 121.491 120.400 -0.005 0.000 2.144 266 D HA -0.108 4.532 4.640 -0.000 0.000 0.199 266 D C 1.341 177.637 176.300 -0.006 0.000 0.984 266 D CA 1.574 55.567 54.000 -0.011 0.000 0.834 266 D CB 0.146 40.937 40.800 -0.014 0.000 0.955 266 D HN 0.537 nan 8.370 nan 0.000 0.465 267 T N 1.382 115.938 114.554 0.004 0.000 2.684 267 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 267 T C 1.800 176.509 174.700 0.015 0.000 1.036 267 T CA 1.229 63.337 62.100 0.013 0.000 1.148 267 T CB -0.307 68.570 68.868 0.014 0.000 0.863 267 T HN 0.333 nan 8.240 nan 0.000 0.436 268 E N 0.851 121.057 120.200 0.009 0.000 2.110 268 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 268 E C 2.260 178.866 176.600 0.010 0.000 0.988 268 E CA 0.680 57.086 56.400 0.010 0.000 0.804 268 E CB -0.332 29.371 29.700 0.006 0.000 0.745 268 E HN 0.375 nan 8.360 nan 0.000 0.458 269 L N 1.255 122.478 121.223 0.001 0.000 1.989 269 L HA -0.210 4.129 4.340 -0.000 0.000 0.211 269 L C 2.322 179.191 176.870 -0.002 0.000 1.071 269 L CA 1.167 56.002 54.840 -0.009 0.000 0.749 269 L CB -0.163 41.880 42.059 -0.025 0.000 0.890 269 L HN 0.169 nan 8.230 nan 0.000 0.431 270 I N -0.135 120.437 120.570 0.004 0.000 2.315 270 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 270 I C 2.842 179.025 176.117 0.110 0.000 1.117 270 I CA 1.256 62.586 61.300 0.049 0.000 1.404 270 I CB -1.677 36.360 38.000 0.063 0.000 1.071 270 I HN 0.283 nan 8.210 nan 0.000 0.419 271 A N 0.847 123.706 122.820 0.065 0.000 1.883 271 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 271 A C 2.698 180.313 177.584 0.051 0.000 1.186 271 A CA 2.112 54.181 52.037 0.054 0.000 0.624 271 A CB -1.400 17.619 19.000 0.032 0.000 0.822 271 A HN 0.585 nan 8.150 nan 0.000 0.444 272 c N -0.664 117.960 118.600 0.040 0.000 2.413 272 c HA -0.085 4.485 4.570 -0.000 0.000 0.276 272 c C 2.602 176.723 174.090 0.052 0.000 1.236 272 c CA 1.284 57.632 56.329 0.033 0.000 1.735 272 c CB -1.618 40.904 42.510 0.019 0.000 2.031 272 c HN 0.597 nan 8.230 nan 0.000 0.474 273 L N 0.157 121.429 121.223 0.081 0.000 2.127 273 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 273 L C 2.929 179.908 176.870 0.181 0.000 1.089 273 L CA 1.531 56.452 54.840 0.135 0.000 0.757 273 L CB -0.599 41.557 42.059 0.161 0.000 0.899 273 L HN 0.351 nan 8.230 nan 0.000 0.434 274 R N -0.817 119.782 120.500 0.164 0.000 2.285 274 R HA -0.131 4.209 4.340 -0.000 0.000 0.213 274 R C 2.047 178.345 176.300 -0.002 0.000 1.068 274 R CA 1.497 57.624 56.100 0.044 0.000 1.004 274 R CB -0.064 30.252 30.300 0.027 0.000 0.873 274 R HN 0.467 nan 8.270 nan 0.000 0.467 275 T N -2.114 112.450 114.554 0.017 0.000 3.044 275 T HA 0.144 4.494 4.350 -0.000 0.000 0.250 275 T C 0.623 175.322 174.700 -0.001 0.000 1.081 275 T CA -0.363 61.737 62.100 -0.001 0.000 1.040 275 T CB 0.253 69.124 68.868 0.005 0.000 0.962 275 T HN -0.059 nan 8.240 nan 0.000 0.506 276 R N 2.782 123.292 120.500 0.017 0.000 2.438 276 R HA 0.323 4.663 4.340 -0.000 0.000 0.287 276 R C -2.620 173.680 176.300 -0.000 0.000 1.077 276 R CA -2.086 54.025 56.100 0.017 0.000 1.034 276 R CB -0.304 30.019 30.300 0.038 0.000 0.993 276 R HN 0.290 nan 8.270 nan 0.000 0.459 277 P HA -0.097 nan 4.420 nan 0.000 0.263 277 P C 0.477 177.741 177.300 -0.060 0.000 1.175 277 P CA 0.351 63.418 63.100 -0.054 0.000 0.761 277 P CB 0.438 32.118 31.700 -0.033 0.000 0.794 278 A N 3.633 126.344 122.820 -0.181 0.000 1.896 278 A HA -0.310 4.010 4.320 -0.000 0.000 0.220 278 A C 2.183 179.761 177.584 -0.010 0.000 1.206 278 A CA 2.392 54.317 52.037 -0.186 0.000 0.647 278 A CB -1.458 16.929 19.000 -1.021 0.000 0.828 278 A HN 0.555 nan 8.150 nan 0.000 0.455 279 Q N -0.213 119.544 119.800 -0.072 0.000 2.297 279 Q HA -0.172 4.167 4.340 -0.000 0.000 0.208 279 Q C 1.185 177.273 176.000 0.147 0.000 0.981 279 Q CA 1.959 57.901 55.803 0.231 0.000 0.876 279 Q CB -0.449 28.413 28.738 0.206 0.000 0.921 279 Q HN 0.673 nan 8.270 nan 0.000 0.446 280 D N -1.001 119.451 120.400 0.087 0.000 2.117 280 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 280 D C 1.332 177.691 176.300 0.099 0.000 0.987 280 D CA 0.787 54.840 54.000 0.088 0.000 0.829 280 D CB 0.010 40.859 40.800 0.081 0.000 0.961 280 D HN 0.216 nan 8.370 nan 0.000 0.460 281 L N 0.347 121.614 121.223 0.073 0.000 1.994 281 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 281 L C 2.520 179.384 176.870 -0.010 0.000 1.071 281 L CA 0.951 55.783 54.840 -0.013 0.000 0.745 281 L CB -1.292 40.651 42.059 -0.195 0.000 0.892 281 L HN 0.011 nan 8.230 nan 0.000 0.431 282 V N 0.066 120.042 119.914 0.103 0.000 2.453 282 V HA -0.301 3.819 4.120 -0.000 0.000 0.252 282 V C 2.268 178.398 176.094 0.059 0.000 1.068 282 V CA 1.663 64.048 62.300 0.142 0.000 1.070 282 V CB -0.598 31.427 31.823 0.335 0.000 0.664 282 V HN 0.403 nan 8.190 nan 0.000 0.461 283 D N -1.053 119.355 120.400 0.013 0.000 2.182 283 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 283 D C 1.888 177.941 176.300 -0.412 0.000 0.986 283 D CA 1.301 55.211 54.000 -0.150 0.000 0.847 283 D CB -0.174 40.514 40.800 -0.186 0.000 0.942 283 D HN 0.528 nan 8.370 nan 0.000 0.467 284 H N -0.087 118.902 119.070 -0.133 0.000 2.586 284 H HA 0.138 4.694 4.556 -0.000 0.000 0.273 284 H C 1.581 176.759 175.328 -0.250 0.000 0.997 284 H CA -0.077 55.806 56.048 -0.276 0.000 1.177 284 H CB 0.671 30.394 29.762 -0.066 0.000 1.471 284 H HN 0.294 nan 8.280 nan 0.000 0.538 285 E N 0.695 120.801 120.200 -0.156 0.000 2.095 285 E HA -0.238 4.112 4.350 -0.000 0.000 0.212 285 E C 0.861 177.265 176.600 -0.327 0.000 1.044 285 E CA 1.634 57.879 56.400 -0.259 0.000 0.857 285 E CB -0.057 29.279 29.700 -0.607 0.000 0.764 285 E HN 0.495 nan 8.360 nan 0.000 0.462 286 W N -0.642 120.633 121.300 -0.042 0.000 3.077 286 W HA -0.000 4.659 4.660 -0.001 0.000 0.245 286 W C 1.239 177.864 176.519 0.177 0.000 1.316 286 W CA 0.168 57.514 57.345 0.002 0.000 1.537 286 W CB 0.035 29.471 29.460 -0.039 0.000 1.131 286 W HN 0.253 nan 8.180 nan 0.000 0.695 287 H N -0.459 118.754 119.070 0.237 0.000 2.517 287 H HA 0.070 4.625 4.556 -0.001 0.000 0.282 287 H C 1.580 176.978 175.328 0.118 0.000 1.023 287 H CA 0.185 56.346 56.048 0.188 0.000 1.169 287 H CB 0.287 30.191 29.762 0.235 0.000 1.454 287 H HN 0.146 nan 8.280 nan 0.000 0.556 288 V N -2.110 117.913 119.914 0.182 0.000 3.528 288 V HA 0.216 4.336 4.120 -0.000 0.000 0.294 288 V C 0.520 176.620 176.094 0.010 0.000 1.404 288 V CA -0.260 62.083 62.300 0.071 0.000 1.065 288 V CB -0.204 31.637 31.823 0.030 0.000 0.904 288 V HN 0.136 nan 8.190 nan 0.000 0.435 289 L N 2.258 123.514 121.223 0.054 0.000 2.483 289 L HA 0.245 4.585 4.340 -0.000 0.000 0.276 289 L C -0.660 176.221 176.870 0.018 0.000 1.213 289 L CA -0.855 54.000 54.840 0.026 0.000 0.843 289 L CB 0.809 42.914 42.059 0.076 0.000 1.107 289 L HN 0.157 nan 8.230 nan 0.000 0.487 290 P HA 0.032 nan 4.420 nan 0.000 0.240 290 P C -0.529 176.770 177.300 -0.001 0.000 1.190 290 P CA 0.591 63.688 63.100 -0.005 0.000 0.781 290 P CB 0.702 32.392 31.700 -0.017 0.000 0.931 291 Q N -1.285 118.514 119.800 -0.001 0.000 2.511 291 Q HA 0.324 4.663 4.340 -0.000 0.000 0.289 291 Q C -0.735 175.262 176.000 -0.004 0.000 1.021 291 Q CA -0.738 55.063 55.803 -0.004 0.000 0.785 291 Q CB 1.433 30.165 28.738 -0.011 0.000 1.472 291 Q HN -0.081 nan 8.270 nan 0.000 0.411 292 E N 0.837 121.032 120.200 -0.008 0.000 2.384 292 E HA 0.419 4.769 4.350 -0.000 0.000 0.266 292 E C -0.920 175.664 176.600 -0.028 0.000 1.012 292 E CA 0.229 56.620 56.400 -0.014 0.000 0.901 292 E CB 0.458 30.150 29.700 -0.014 0.000 0.967 292 E HN 0.631 nan 8.360 nan 0.000 0.435 293 S N 3.162 118.836 115.700 -0.043 0.000 2.656 293 S HA 0.564 5.033 4.470 -0.000 0.000 0.265 293 S C -0.747 173.801 174.600 -0.088 0.000 1.132 293 S CA -0.960 57.203 58.200 -0.061 0.000 0.819 293 S CB 0.347 63.510 63.200 -0.061 0.000 1.119 293 S HN 0.566 nan 8.310 nan 0.000 0.476 294 I N -3.277 117.236 120.570 -0.094 0.000 2.865 294 I HA 0.795 4.964 4.170 -0.000 0.000 0.302 294 I C -0.490 175.548 176.117 -0.131 0.000 1.140 294 I CA -1.185 60.058 61.300 -0.094 0.000 1.021 294 I CB 1.433 39.425 38.000 -0.013 0.000 1.233 294 I HN 0.785 nan 8.210 nan 0.000 0.427 295 F N 1.666 121.376 119.950 -0.401 0.000 3.027 295 F HA -0.204 4.322 4.527 -0.000 0.000 0.276 295 F C -0.070 175.210 175.800 -0.866 0.000 0.967 295 F CA 0.802 58.344 58.000 -0.764 0.000 0.929 295 F CB -0.741 37.721 39.000 -0.897 0.000 0.873 295 F HN 0.731 nan 8.300 nan 0.000 0.787 296 R N 0.783 120.756 120.500 -0.879 0.000 2.548 296 R HA 0.677 5.016 4.340 -0.000 0.000 0.280 296 R C -1.546 174.296 176.300 -0.763 0.000 1.061 296 R CA -0.402 55.335 56.100 -0.605 0.000 0.915 296 R CB 1.005 31.170 30.300 -0.226 0.000 1.210 296 R HN -0.023 nan 8.270 nan 0.000 0.442 297 F N 1.003 121.097 119.950 0.239 0.000 2.563 297 F HA 0.384 4.911 4.527 -0.000 0.000 0.316 297 F C 1.219 177.059 175.800 0.067 0.000 1.076 297 F CA -0.853 57.315 58.000 0.280 0.000 0.921 297 F CB 2.383 41.603 39.000 0.367 0.000 1.209 297 F HN 0.472 nan 8.300 nan 0.000 0.462 298 S N 0.644 116.379 115.700 0.058 0.000 2.355 298 S HA -0.014 4.455 4.470 -0.000 0.000 0.222 298 S C -0.041 174.136 174.600 -0.705 0.000 1.031 298 S CA 1.125 59.109 58.200 -0.360 0.000 0.993 298 S CB -0.210 62.705 63.200 -0.475 0.000 0.859 298 S HN 0.348 nan 8.310 nan 0.000 0.453 299 F N 1.469 121.423 119.950 0.007 0.000 2.460 299 F HA 0.612 5.138 4.527 -0.000 0.000 0.341 299 F C -0.099 175.689 175.800 -0.020 0.000 1.130 299 F CA -0.917 57.101 58.000 0.031 0.000 0.962 299 F CB 1.725 40.754 39.000 0.047 0.000 1.171 299 F HN -0.081 nan 8.300 nan 0.000 0.436 300 V N 0.847 120.672 119.914 -0.148 0.000 3.258 300 V HA 0.708 4.828 4.120 -0.000 0.000 0.299 300 V C -2.989 172.631 176.094 -0.789 0.000 1.376 300 V CA -3.028 58.766 62.300 -0.842 0.000 1.063 300 V CB 1.889 33.491 31.823 -0.369 0.000 1.103 300 V HN 0.279 nan 8.190 nan 0.000 0.451 301 P HA 0.151 nan 4.420 nan 0.000 0.264 301 P C -0.581 176.581 177.300 -0.229 0.000 1.179 301 P CA 0.519 63.334 63.100 -0.476 0.000 0.763 301 P CB 0.530 31.902 31.700 -0.547 0.000 0.806 302 V N 4.537 124.402 119.914 -0.082 0.000 2.715 302 V HA 0.260 4.380 4.120 -0.000 0.000 0.310 302 V C -0.326 175.756 176.094 -0.021 0.000 1.054 302 V CA -0.939 61.334 62.300 -0.045 0.000 0.928 302 V CB 2.305 34.129 31.823 0.001 0.000 1.007 302 V HN 0.143 nan 8.190 nan 0.000 0.437 303 V N 6.997 126.899 119.914 -0.020 0.000 2.287 303 V HA 0.171 4.290 4.120 -0.000 0.000 0.246 303 V C 0.685 176.790 176.094 0.019 0.000 1.165 303 V CA 0.294 62.597 62.300 0.004 0.000 1.088 303 V CB 0.042 31.860 31.823 -0.010 0.000 1.242 303 V HN 1.089 nan 8.190 nan 0.000 0.497 304 D N 2.482 122.907 120.400 0.042 0.000 2.271 304 D HA 0.109 4.749 4.640 -0.000 0.000 0.206 304 D C 1.577 177.905 176.300 0.046 0.000 0.967 304 D CA 0.906 54.933 54.000 0.045 0.000 0.867 304 D CB 0.023 40.862 40.800 0.065 0.000 0.960 304 D HN 0.682 nan 8.370 nan 0.000 0.509 305 G N 0.488 109.321 108.800 0.055 0.000 2.165 305 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.226 305 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.226 305 G C 0.032 174.965 174.900 0.054 0.000 1.035 305 G CA 0.533 45.660 45.100 0.045 0.000 0.744 305 G HN 0.547 nan 8.290 nan 0.000 0.501 306 D N -2.127 118.324 120.400 0.084 0.000 2.880 306 D HA 0.295 4.934 4.640 -0.000 0.000 0.168 306 D C 1.584 177.964 176.300 0.132 0.000 1.452 306 D CA 0.269 54.326 54.000 0.095 0.000 1.553 306 D CB -0.561 40.307 40.800 0.113 0.000 1.386 306 D HN 0.079 nan 8.370 nan 0.000 0.208 307 F N 1.242 121.212 119.950 0.034 0.000 2.161 307 F HA 0.204 4.731 4.527 -0.001 0.000 0.300 307 F C 0.142 175.961 175.800 0.032 0.000 1.089 307 F CA 1.215 59.239 58.000 0.040 0.000 1.282 307 F CB 0.161 39.187 39.000 0.044 0.000 1.010 307 F HN 0.006 nan 8.300 nan 0.000 0.485 308 L N 0.279 121.662 121.223 0.266 0.000 2.325 308 L HA 0.242 4.582 4.340 -0.000 0.000 0.281 308 L C 1.219 178.139 176.870 0.083 0.000 1.004 308 L CA -0.385 54.545 54.840 0.150 0.000 0.823 308 L CB 1.712 43.853 42.059 0.137 0.000 1.236 308 L HN -0.103 nan 8.230 nan 0.000 0.415 309 S N 0.166 115.896 115.700 0.050 0.000 2.453 309 S HA 0.023 4.493 4.470 -0.000 0.000 0.231 309 S C 0.354 174.972 174.600 0.029 0.000 1.005 309 S CA 0.302 58.522 58.200 0.034 0.000 0.949 309 S CB 0.028 63.240 63.200 0.020 0.000 0.774 309 S HN 0.762 nan 8.310 nan 0.000 0.510 310 D N -0.083 120.336 120.400 0.032 0.000 2.713 310 D HA 0.217 4.857 4.640 -0.000 0.000 0.306 310 D C -1.238 175.073 176.300 0.019 0.000 1.299 310 D CA -0.341 53.672 54.000 0.022 0.000 0.823 310 D CB 1.243 42.055 40.800 0.019 0.000 1.353 310 D HN 0.061 nan 8.370 nan 0.000 0.447 311 T N 1.626 116.183 114.554 0.005 0.000 2.939 311 T HA 0.121 4.471 4.350 -0.000 0.000 0.319 311 T C -1.582 173.117 174.700 -0.002 0.000 1.082 311 T CA -0.752 61.343 62.100 -0.009 0.000 1.133 311 T CB 0.419 69.275 68.868 -0.019 0.000 1.019 311 T HN 0.260 nan 8.240 nan 0.000 0.548 312 P HA -0.149 nan 4.420 nan 0.000 0.216 312 P C 1.492 178.782 177.300 -0.017 0.000 1.153 312 P CA 1.017 64.104 63.100 -0.022 0.000 0.858 312 P CB 0.191 31.847 31.700 -0.074 0.000 0.789 313 E N 0.003 120.181 120.200 -0.036 0.000 2.021 313 E HA -0.209 4.141 4.350 -0.000 0.000 0.200 313 E C 2.171 178.778 176.600 0.012 0.000 1.015 313 E CA 1.871 58.257 56.400 -0.023 0.000 0.824 313 E CB -1.252 28.430 29.700 -0.031 0.000 0.762 313 E HN 0.072 nan 8.360 nan 0.000 0.454 314 A N 0.375 123.203 122.820 0.013 0.000 1.958 314 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 314 A C 2.335 179.952 177.584 0.056 0.000 1.178 314 A CA 1.810 53.864 52.037 0.028 0.000 0.642 314 A CB -0.855 18.156 19.000 0.019 0.000 0.816 314 A HN 0.328 nan 8.150 nan 0.000 0.453 315 L N -0.440 120.825 121.223 0.070 0.000 2.005 315 L HA -0.153 4.186 4.340 -0.000 0.000 0.207 315 L C 2.601 179.622 176.870 0.250 0.000 1.072 315 L CA 1.787 56.705 54.840 0.130 0.000 0.744 315 L CB -0.738 41.400 42.059 0.130 0.000 0.895 315 L HN 0.669 nan 8.230 nan 0.000 0.433 316 I N -2.327 118.363 120.570 0.199 0.000 2.756 316 I HA -0.198 3.972 4.170 -0.000 0.000 0.262 316 I C 2.171 178.447 176.117 0.264 0.000 1.225 316 I CA 1.468 62.911 61.300 0.238 0.000 1.472 316 I CB -0.674 37.320 38.000 -0.010 0.000 1.094 316 I HN 0.381 nan 8.210 nan 0.000 0.454 317 N N 1.848 120.643 118.700 0.157 0.000 2.250 317 N HA -0.152 4.588 4.740 -0.000 0.000 0.181 317 N C 1.609 177.183 175.510 0.108 0.000 1.017 317 N CA 1.873 54.990 53.050 0.112 0.000 0.866 317 N CB 0.067 38.591 38.487 0.063 0.000 0.985 317 N HN 0.551 nan 8.380 nan 0.000 0.429 318 T N -2.976 111.629 114.554 0.085 0.000 3.145 318 T HA 0.369 4.718 4.350 -0.000 0.000 0.281 318 T C 0.722 175.370 174.700 -0.086 0.000 1.003 318 T CA -0.427 61.681 62.100 0.013 0.000 0.901 318 T CB 0.223 69.091 68.868 -0.000 0.000 1.112 318 T HN 0.158 nan 8.240 nan 0.000 0.535 319 G N 0.544 109.262 108.800 -0.137 0.000 2.569 319 G HA2 0.366 4.326 3.960 -0.000 0.000 0.249 319 G HA3 0.366 4.326 3.960 -0.000 0.000 0.249 319 G C -0.877 173.407 174.900 -1.026 0.000 1.216 319 G CA -0.409 44.314 45.100 -0.629 0.000 0.845 319 G HN 0.329 nan 8.290 nan 0.000 0.568 320 D N 0.852 120.715 120.400 -0.896 0.000 2.443 320 D HA 0.243 4.882 4.640 -0.000 0.000 0.221 320 D C -0.489 175.418 176.300 -0.655 0.000 1.097 320 D CA -0.462 53.189 54.000 -0.581 0.000 0.865 320 D CB 0.544 41.180 40.800 -0.274 0.000 1.034 320 D HN 0.124 nan 8.370 nan 0.000 0.511 321 F N 1.643 121.610 119.950 0.030 0.000 2.850 321 F HA 0.191 4.717 4.527 -0.001 0.000 0.306 321 F C 1.507 177.332 175.800 0.040 0.000 1.162 321 F CA -0.554 57.469 58.000 0.039 0.000 1.327 321 F CB 0.036 39.068 39.000 0.053 0.000 0.953 321 F HN 0.280 nan 8.300 nan 0.000 0.507 322 Q N 2.990 122.844 119.800 0.090 0.000 3.107 322 Q HA 0.034 4.373 4.340 -0.000 0.000 0.268 322 Q C 0.080 176.121 176.000 0.068 0.000 1.382 322 Q CA 0.836 56.684 55.803 0.074 0.000 0.927 322 Q CB -0.370 28.383 28.738 0.024 0.000 1.755 322 Q HN 0.765 nan 8.270 nan 0.000 0.545 323 D N 0.178 120.635 120.400 0.095 0.000 3.877 323 D HA -0.148 4.491 4.640 -0.000 0.000 0.447 323 D C 0.085 176.442 176.300 0.096 0.000 0.389 323 D CA -0.341 53.704 54.000 0.074 0.000 0.865 323 D CB -1.064 39.761 40.800 0.042 0.000 1.491 323 D HN 0.353 nan 8.370 nan 0.000 0.192 324 L N 1.666 122.968 121.223 0.130 0.000 2.601 324 L HA 0.067 4.406 4.340 -0.000 0.000 0.277 324 L C -0.125 176.857 176.870 0.186 0.000 1.219 324 L CA 0.917 55.848 54.840 0.151 0.000 0.915 324 L CB 0.504 42.685 42.059 0.204 0.000 1.160 324 L HN 0.122 nan 8.230 nan 0.000 0.494 325 Q N 2.841 122.767 119.800 0.210 0.000 2.241 325 Q HA 0.572 4.912 4.340 -0.000 0.000 0.254 325 Q C -1.224 175.086 176.000 0.517 0.000 0.917 325 Q CA -0.285 55.726 55.803 0.346 0.000 0.919 325 Q CB 2.349 31.242 28.738 0.259 0.000 1.237 325 Q HN 0.412 nan 8.270 nan 0.000 0.434 326 V N 3.299 123.464 119.914 0.418 0.000 2.668 326 V HA 0.353 4.472 4.120 -0.000 0.000 0.304 326 V C -1.059 174.936 176.094 -0.166 0.000 1.071 326 V CA -0.778 61.636 62.300 0.191 0.000 0.894 326 V CB 1.847 33.734 31.823 0.108 0.000 1.008 326 V HN 0.686 nan 8.190 nan 0.000 0.425 327 L N 5.482 126.345 121.223 -0.600 0.000 2.325 327 L HA 0.876 5.216 4.340 -0.000 0.000 0.279 327 L C -1.128 175.658 176.870 -0.140 0.000 1.054 327 L CA -0.246 54.232 54.840 -0.604 0.000 0.804 327 L CB 1.725 43.043 42.059 -1.236 0.000 1.200 327 L HN 0.522 nan 8.230 nan 0.000 0.436 328 V N 3.355 123.284 119.914 0.025 0.000 3.049 328 V HA 0.930 5.049 4.120 -0.000 0.000 0.309 328 V C 0.109 176.084 176.094 -0.198 0.000 1.148 328 V CA -0.134 62.161 62.300 -0.009 0.000 0.990 328 V CB 1.870 33.634 31.823 -0.098 0.000 1.039 328 V HN 1.012 nan 8.190 nan 0.000 0.430 329 G N 0.928 109.406 108.800 -0.536 0.000 2.490 329 G HA2 0.712 4.671 3.960 -0.000 0.000 0.308 329 G HA3 0.712 4.671 3.960 -0.000 0.000 0.308 329 G C -2.014 172.441 174.900 -0.741 0.000 1.286 329 G CA -0.212 43.962 45.100 -1.544 0.000 0.825 329 G HN 0.846 nan 8.290 nan 0.000 0.479 330 V N -1.118 118.465 119.914 -0.551 0.000 3.264 330 V HA 0.646 4.766 4.120 -0.000 0.000 0.294 330 V C -0.273 175.938 176.094 0.195 0.000 1.429 330 V CA -0.226 62.042 62.300 -0.052 0.000 1.053 330 V CB 1.990 33.750 31.823 -0.104 0.000 1.128 330 V HN 1.412 nan 8.190 nan 0.000 0.452 331 V N -0.027 120.030 119.914 0.240 0.000 3.193 331 V HA 0.593 4.713 4.120 -0.000 0.000 0.320 331 V C 1.168 177.422 176.094 0.266 0.000 1.112 331 V CA -0.352 62.149 62.300 0.335 0.000 1.026 331 V CB 1.331 33.342 31.823 0.314 0.000 1.128 331 V HN 0.829 nan 8.190 nan 0.000 0.452 332 K N 0.159 120.733 120.400 0.290 0.000 2.001 332 K HA -0.145 4.175 4.320 -0.000 0.000 0.214 332 K C 0.055 176.772 176.600 0.196 0.000 1.050 332 K CA 2.444 58.864 56.287 0.222 0.000 0.934 332 K CB -0.141 32.486 32.500 0.212 0.000 0.718 332 K HN 0.977 nan 8.250 nan 0.000 0.443 333 D N 0.699 121.222 120.400 0.205 0.000 2.634 333 D HA 0.070 4.709 4.640 -0.000 0.000 0.318 333 D C 0.348 176.776 176.300 0.214 0.000 1.226 333 D CA -0.201 53.916 54.000 0.194 0.000 0.899 333 D CB 1.188 42.100 40.800 0.186 0.000 1.025 333 D HN 0.049 nan 8.370 nan 0.000 0.501 334 E N 1.106 121.439 120.200 0.222 0.000 2.055 334 E HA -0.241 4.109 4.350 -0.000 0.000 0.209 334 E C 2.270 179.056 176.600 0.311 0.000 1.036 334 E CA 1.665 58.236 56.400 0.284 0.000 0.849 334 E CB -0.605 29.216 29.700 0.201 0.000 0.767 334 E HN 0.529 nan 8.360 nan 0.000 0.461 335 G N 1.431 110.347 108.800 0.194 0.000 2.485 335 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.221 335 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.221 335 G C 1.773 176.854 174.900 0.301 0.000 1.115 335 G CA 1.781 47.004 45.100 0.206 0.000 0.751 335 G HN 0.381 nan 8.290 nan 0.000 0.567 336 S N 0.402 116.257 115.700 0.258 0.000 2.377 336 S HA -0.339 4.130 4.470 -0.000 0.000 0.224 336 S C 2.061 176.737 174.600 0.126 0.000 1.042 336 S CA 1.552 59.889 58.200 0.229 0.000 1.086 336 S CB -0.998 62.273 63.200 0.118 0.000 0.995 336 S HN 0.502 nan 8.310 nan 0.000 0.428 337 Y N 2.576 122.776 120.300 -0.168 0.000 2.030 337 Y HA -0.289 4.260 4.550 -0.001 0.000 0.272 337 Y C 1.973 177.719 175.900 -0.257 0.000 1.185 337 Y CA 1.922 59.750 58.100 -0.454 0.000 1.120 337 Y CB -0.951 37.151 38.460 -0.596 0.000 0.955 337 Y HN 0.231 nan 8.280 nan 0.000 0.495 338 F N -0.146 119.816 119.950 0.020 0.000 2.373 338 F HA -0.206 4.321 4.527 -0.000 0.000 0.300 338 F C 2.044 177.820 175.800 -0.040 0.000 1.080 338 F CA 1.010 58.969 58.000 -0.069 0.000 1.417 338 F CB -0.718 38.241 39.000 -0.069 0.000 1.070 338 F HN 0.109 nan 8.300 nan 0.000 0.546 339 L N -0.317 120.965 121.223 0.098 0.000 2.156 339 L HA -0.129 4.210 4.340 -0.000 0.000 0.208 339 L C 2.552 179.447 176.870 0.041 0.000 1.095 339 L CA 0.896 55.677 54.840 -0.099 0.000 0.770 339 L CB -0.909 40.860 42.059 -0.483 0.000 0.914 339 L HN 0.177 nan 8.230 nan 0.000 0.439 340 V N -3.504 116.505 119.914 0.159 0.000 2.490 340 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 340 V C 1.470 177.545 176.094 -0.031 0.000 1.061 340 V CA 1.215 63.613 62.300 0.163 0.000 1.064 340 V CB -1.264 30.666 31.823 0.179 0.000 0.670 340 V HN 0.296 nan 8.190 nan 0.000 0.461 341 Y N 2.490 122.733 120.300 -0.095 0.000 2.871 341 Y HA 0.558 5.108 4.550 -0.000 0.000 0.378 341 Y C 1.597 177.427 175.900 -0.116 0.000 1.069 341 Y CA 0.381 58.392 58.100 -0.148 0.000 1.662 341 Y CB -0.177 38.144 38.460 -0.232 0.000 1.561 341 Y HN 0.485 nan 8.280 nan 0.000 0.483 342 G N -1.437 107.375 108.800 0.021 0.000 2.559 342 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.202 342 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.202 342 G C -0.737 174.181 174.900 0.030 0.000 0.992 342 G CA -0.460 44.644 45.100 0.007 0.000 0.764 342 G HN 0.044 nan 8.290 nan 0.000 0.525 343 V N 3.024 122.981 119.914 0.071 0.000 2.311 343 V HA 0.435 4.554 4.120 -0.000 0.000 0.275 343 V C -1.952 174.318 176.094 0.293 0.000 1.022 343 V CA -1.839 60.537 62.300 0.127 0.000 0.830 343 V CB 1.425 33.245 31.823 -0.004 0.000 1.012 343 V HN 0.113 nan 8.190 nan 0.000 0.452 344 P HA 0.145 nan 4.420 nan 0.000 0.261 344 P C 1.065 178.434 177.300 0.116 0.000 1.173 344 P CA 1.468 64.640 63.100 0.120 0.000 0.760 344 P CB 0.533 32.270 31.700 0.061 0.000 0.783 345 G N 1.747 110.558 108.800 0.018 0.000 2.259 345 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.217 345 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.217 345 G C -0.171 174.542 174.900 -0.312 0.000 1.001 345 G CA -0.580 44.403 45.100 -0.195 0.000 0.627 345 G HN 0.414 nan 8.290 nan 0.000 0.501 346 F N 1.778 121.729 119.950 0.002 0.000 2.399 346 F HA 0.744 5.271 4.527 -0.001 0.000 0.334 346 F C 0.724 176.615 175.800 0.151 0.000 1.097 346 F CA 0.078 58.105 58.000 0.045 0.000 1.076 346 F CB 2.159 41.215 39.000 0.092 0.000 1.162 346 F HN 0.331 nan 8.300 nan 0.000 0.495 347 S N 1.384 117.343 115.700 0.431 0.000 2.565 347 S HA 0.304 4.774 4.470 -0.000 0.000 0.269 347 S C -0.020 174.881 174.600 0.502 0.000 1.153 347 S CA -0.868 57.571 58.200 0.399 0.000 0.835 347 S CB 1.689 65.029 63.200 0.233 0.000 1.122 347 S HN 0.775 nan 8.310 nan 0.000 0.462 348 K N 0.571 121.133 120.400 0.271 0.000 2.418 348 K HA 0.154 4.474 4.320 -0.000 0.000 0.195 348 K C 0.110 176.695 176.600 -0.026 0.000 1.035 348 K CA 0.838 57.150 56.287 0.041 0.000 1.003 348 K CB -0.148 32.123 32.500 -0.381 0.000 0.793 348 K HN 0.484 nan 8.250 nan 0.000 0.494 349 D N 1.117 121.520 120.400 0.004 0.000 2.333 349 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 349 D C -0.040 176.300 176.300 0.067 0.000 0.984 349 D CA 0.489 54.478 54.000 -0.017 0.000 0.873 349 D CB 0.067 40.837 40.800 -0.051 0.000 0.935 349 D HN 0.468 nan 8.370 nan 0.000 0.521 350 N N -0.781 118.008 118.700 0.148 0.000 2.701 350 N HA 0.134 4.874 4.740 -0.000 0.000 0.290 350 N C 0.324 175.958 175.510 0.207 0.000 1.338 350 N CA -0.614 52.508 53.050 0.119 0.000 0.799 350 N CB 0.743 39.254 38.487 0.041 0.000 1.491 350 N HN -0.313 nan 8.380 nan 0.000 0.540 351 E N -0.432 119.816 120.200 0.079 0.000 2.511 351 E HA 0.002 4.352 4.350 -0.000 0.000 0.196 351 E C -0.516 175.824 176.600 -0.434 0.000 1.066 351 E CA 0.356 56.748 56.400 -0.014 0.000 0.871 351 E CB -0.357 29.338 29.700 -0.008 0.000 0.863 351 E HN 0.616 nan 8.360 nan 0.000 0.520 352 S N 0.833 116.311 115.700 -0.370 0.000 3.550 352 S HA -0.174 4.295 4.470 -0.000 0.000 0.372 352 S C 0.055 174.279 174.600 -0.628 0.000 0.966 352 S CA 0.095 57.937 58.200 -0.596 0.000 1.229 352 S CB -1.120 61.562 63.200 -0.862 0.000 0.917 352 S HN 0.159 nan 8.310 nan 0.000 0.496 353 L N 2.078 123.072 121.223 -0.380 0.000 2.401 353 L HA 0.414 4.754 4.340 -0.000 0.000 0.283 353 L C 0.848 177.545 176.870 -0.289 0.000 1.151 353 L CA -0.287 54.380 54.840 -0.289 0.000 0.942 353 L CB -0.927 41.028 42.059 -0.175 0.000 1.283 353 L HN 0.636 nan 8.230 nan 0.000 0.442 354 I N -0.336 120.013 120.570 -0.368 0.000 2.945 354 I HA 0.420 4.590 4.170 -0.000 0.000 0.292 354 I C 1.022 177.056 176.117 -0.139 0.000 1.093 354 I CA -0.252 60.868 61.300 -0.300 0.000 1.336 354 I CB 0.983 38.742 38.000 -0.403 0.000 1.435 354 I HN 0.557 nan 8.210 nan 0.000 0.593 355 S N 3.917 119.565 115.700 -0.087 0.000 2.634 355 S HA 0.294 4.764 4.470 -0.000 0.000 0.261 355 S C 1.069 175.680 174.600 0.018 0.000 1.271 355 S CA -0.364 57.815 58.200 -0.035 0.000 0.985 355 S CB 1.306 64.493 63.200 -0.020 0.000 0.968 355 S HN 0.869 nan 8.310 nan 0.000 0.568 356 R N 0.399 120.912 120.500 0.022 0.000 2.057 356 R HA -0.017 4.323 4.340 -0.000 0.000 0.229 356 R C 2.608 178.995 176.300 0.145 0.000 1.136 356 R CA 1.348 57.486 56.100 0.064 0.000 0.952 356 R CB -1.165 29.145 30.300 0.017 0.000 0.848 356 R HN 0.859 nan 8.270 nan 0.000 0.430 357 A N 1.025 123.899 122.820 0.090 0.000 1.948 357 A HA -0.276 4.043 4.320 -0.000 0.000 0.220 357 A C 2.050 179.689 177.584 0.092 0.000 1.177 357 A CA 1.640 53.728 52.037 0.085 0.000 0.636 357 A CB -0.532 18.498 19.000 0.050 0.000 0.815 357 A HN 0.477 nan 8.150 nan 0.000 0.449 358 Q N -1.875 117.976 119.800 0.085 0.000 1.993 358 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 358 Q C 1.986 178.071 176.000 0.142 0.000 0.984 358 Q CA 1.704 57.557 55.803 0.084 0.000 0.837 358 Q CB -0.376 28.382 28.738 0.033 0.000 0.902 358 Q HN 0.763 nan 8.270 nan 0.000 0.423 359 F N 1.283 121.261 119.950 0.047 0.000 2.120 359 F HA -0.278 4.249 4.527 -0.000 0.000 0.300 359 F C 1.714 177.548 175.800 0.058 0.000 1.095 359 F CA 1.039 59.083 58.000 0.073 0.000 1.249 359 F CB -0.111 38.918 39.000 0.048 0.000 0.995 359 F HN 0.035 nan 8.300 nan 0.000 0.480 360 L N 0.537 121.869 121.223 0.181 0.000 2.079 360 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 360 L C 2.768 179.603 176.870 -0.059 0.000 1.081 360 L CA 1.913 56.785 54.840 0.053 0.000 0.752 360 L CB -2.332 39.800 42.059 0.123 0.000 0.896 360 L HN 0.348 nan 8.230 nan 0.000 0.433 361 A N -0.528 122.279 122.820 -0.021 0.000 1.929 361 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 361 A C 2.462 180.005 177.584 -0.068 0.000 1.176 361 A CA 1.308 53.329 52.037 -0.026 0.000 0.628 361 A CB -1.085 17.921 19.000 0.010 0.000 0.816 361 A HN 0.410 nan 8.150 nan 0.000 0.444 362 G N -0.049 108.697 108.800 -0.090 0.000 2.491 362 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 362 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 362 G C 1.528 176.307 174.900 -0.201 0.000 1.180 362 G CA 1.442 46.471 45.100 -0.119 0.000 0.774 362 G HN 0.324 nan 8.290 nan 0.000 0.562 363 V N 1.408 121.119 119.914 -0.338 0.000 2.370 363 V HA -0.233 3.887 4.120 -0.000 0.000 0.252 363 V C 2.980 178.990 176.094 -0.140 0.000 1.068 363 V CA 2.195 64.326 62.300 -0.283 0.000 1.061 363 V CB -0.414 31.213 31.823 -0.327 0.000 0.656 363 V HN 0.367 nan 8.190 nan 0.000 0.455 364 R N -0.614 119.825 120.500 -0.102 0.000 2.153 364 R HA 0.100 4.439 4.340 -0.000 0.000 0.218 364 R C 2.076 178.344 176.300 -0.054 0.000 1.072 364 R CA 1.085 57.150 56.100 -0.058 0.000 0.990 364 R CB -0.530 29.749 30.300 -0.036 0.000 0.889 364 R HN 0.455 nan 8.270 nan 0.000 0.452 365 I N 0.438 120.970 120.570 -0.062 0.000 2.277 365 I HA -0.090 4.080 4.170 -0.000 0.000 0.243 365 I C 2.389 178.469 176.117 -0.061 0.000 1.094 365 I CA 1.396 62.665 61.300 -0.053 0.000 1.393 365 I CB -0.569 37.402 38.000 -0.049 0.000 1.078 365 I HN 0.200 nan 8.210 nan 0.000 0.417 366 G N 0.219 108.969 108.800 -0.084 0.000 2.470 366 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.220 366 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.220 366 G C 0.806 175.675 174.900 -0.052 0.000 1.121 366 G CA 0.576 45.624 45.100 -0.086 0.000 0.766 366 G HN 0.283 nan 8.290 nan 0.000 0.553 367 V N 1.454 121.335 119.914 -0.054 0.000 2.502 367 V HA 0.200 4.320 4.120 -0.000 0.000 0.261 367 V C -1.473 174.604 176.094 -0.029 0.000 0.996 367 V CA -0.980 61.288 62.300 -0.054 0.000 1.095 367 V CB 1.581 33.352 31.823 -0.086 0.000 1.325 367 V HN 0.044 nan 8.190 nan 0.000 0.574 368 P HA -0.211 nan 4.420 nan 0.000 0.219 368 P C 1.330 178.624 177.300 -0.010 0.000 1.146 368 P CA 1.273 64.364 63.100 -0.016 0.000 0.808 368 P CB 0.392 32.081 31.700 -0.017 0.000 0.779 369 Q N -0.169 119.632 119.800 0.002 0.000 2.451 369 Q HA 0.116 4.456 4.340 -0.000 0.000 0.206 369 Q C 0.744 176.735 176.000 -0.015 0.000 0.947 369 Q CA 0.210 56.012 55.803 -0.002 0.000 0.937 369 Q CB -0.606 28.141 28.738 0.014 0.000 1.025 369 Q HN 0.044 nan 8.270 nan 0.000 0.511 370 A N 2.317 125.124 122.820 -0.022 0.000 2.450 370 A HA 0.362 4.682 4.320 -0.000 0.000 0.255 370 A C 0.582 178.152 177.584 -0.025 0.000 1.096 370 A CA 0.136 52.154 52.037 -0.033 0.000 0.778 370 A CB 0.296 19.274 19.000 -0.037 0.000 1.031 370 A HN 0.530 nan 8.150 nan 0.000 0.494 371 S N 1.924 117.607 115.700 -0.029 0.000 2.634 371 S HA 0.074 4.543 4.470 -0.000 0.000 0.254 371 S C 0.546 175.141 174.600 -0.008 0.000 1.299 371 S CA 0.288 58.477 58.200 -0.018 0.000 0.974 371 S CB 0.317 63.503 63.200 -0.023 0.000 1.001 371 S HN 0.658 nan 8.310 nan 0.000 0.584 372 D N 0.051 120.452 120.400 0.002 0.000 2.077 372 D HA -0.086 4.553 4.640 -0.000 0.000 0.196 372 D C 1.957 178.273 176.300 0.026 0.000 0.986 372 D CA 0.948 54.957 54.000 0.015 0.000 0.829 372 D CB -0.483 40.329 40.800 0.019 0.000 0.983 372 D HN 0.358 nan 8.370 nan 0.000 0.453 373 L N 1.501 122.737 121.223 0.021 0.000 2.021 373 L HA -0.205 4.134 4.340 -0.000 0.000 0.215 373 L C 2.327 179.219 176.870 0.037 0.000 1.074 373 L CA 1.903 56.763 54.840 0.034 0.000 0.760 373 L CB -1.034 41.038 42.059 0.022 0.000 0.889 373 L HN -0.024 nan 8.230 nan 0.000 0.433 374 A N -1.047 121.771 122.820 -0.003 0.000 1.902 374 A HA -0.132 4.187 4.320 -0.000 0.000 0.217 374 A C 2.449 180.047 177.584 0.025 0.000 1.181 374 A CA 1.969 53.991 52.037 -0.025 0.000 0.623 374 A CB -1.110 17.838 19.000 -0.086 0.000 0.818 374 A HN 0.562 nan 8.150 nan 0.000 0.443 375 A N -0.400 122.435 122.820 0.025 0.000 1.883 375 A HA -0.208 4.111 4.320 -0.000 0.000 0.217 375 A C 1.930 179.574 177.584 0.100 0.000 1.186 375 A CA 2.095 54.159 52.037 0.045 0.000 0.624 375 A CB -0.604 18.412 19.000 0.027 0.000 0.822 375 A HN 0.580 nan 8.150 nan 0.000 0.444 376 E N -0.297 119.965 120.200 0.104 0.000 2.049 376 E HA -0.164 4.186 4.350 -0.000 0.000 0.198 376 E C 2.236 178.947 176.600 0.185 0.000 1.007 376 E CA 1.651 58.137 56.400 0.143 0.000 0.809 376 E CB -0.395 29.375 29.700 0.116 0.000 0.749 376 E HN 0.562 nan 8.360 nan 0.000 0.450 377 A N 0.043 122.973 122.820 0.184 0.000 1.884 377 A HA -0.260 4.059 4.320 -0.000 0.000 0.219 377 A C 2.476 180.208 177.584 0.246 0.000 1.197 377 A CA 2.113 54.300 52.037 0.249 0.000 0.637 377 A CB -1.062 18.157 19.000 0.364 0.000 0.827 377 A HN 0.209 nan 8.150 nan 0.000 0.450 378 V N -0.366 119.727 119.914 0.298 0.000 2.332 378 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 378 V C 2.537 178.862 176.094 0.385 0.000 1.055 378 V CA 1.987 64.488 62.300 0.334 0.000 1.038 378 V CB -0.951 31.002 31.823 0.217 0.000 0.651 378 V HN 0.388 nan 8.190 nan 0.000 0.450 379 V N -0.252 119.852 119.914 0.316 0.000 2.407 379 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 379 V C 2.315 178.641 176.094 0.386 0.000 1.055 379 V CA 1.889 64.430 62.300 0.401 0.000 1.049 379 V CB -0.556 31.480 31.823 0.355 0.000 0.662 379 V HN 0.501 nan 8.190 nan 0.000 0.455 380 L N -0.216 121.235 121.223 0.380 0.000 1.989 380 L HA -0.293 4.047 4.340 -0.000 0.000 0.211 380 L C 2.575 179.642 176.870 0.328 0.000 1.071 380 L CA 2.678 57.805 54.840 0.478 0.000 0.749 380 L CB -0.588 41.618 42.059 0.245 0.000 0.890 380 L HN 0.454 nan 8.230 nan 0.000 0.431 381 H N -1.374 117.696 119.070 0.000 0.000 2.353 381 H HA -0.221 4.335 4.556 -0.001 0.000 0.300 381 H C 1.609 176.848 175.328 -0.149 0.000 1.090 381 H CA 2.462 58.361 56.048 -0.248 0.000 1.327 381 H CB -0.066 29.218 29.762 -0.798 0.000 1.383 381 H HN 0.445 nan 8.280 nan 0.000 0.508 382 Y N -0.674 119.739 120.300 0.188 0.000 2.462 382 Y HA 0.149 4.699 4.550 -0.000 0.000 0.261 382 Y C 0.802 176.714 175.900 0.020 0.000 1.146 382 Y CA 0.038 58.257 58.100 0.199 0.000 1.283 382 Y CB 0.451 39.151 38.460 0.400 0.000 1.090 382 Y HN 0.005 nan 8.280 nan 0.000 0.526 383 T N 1.215 115.719 114.554 -0.083 0.000 2.919 383 T HA -0.011 4.339 4.350 -0.000 0.000 0.302 383 T C -0.338 173.944 174.700 -0.697 0.000 1.031 383 T CA -0.212 61.533 62.100 -0.592 0.000 1.127 383 T CB 0.430 68.518 68.868 -1.300 0.000 0.952 383 T HN 0.095 nan 8.240 nan 0.000 0.540 384 D N 1.757 121.751 120.400 -0.677 0.000 2.428 384 D HA 0.160 4.799 4.640 -0.000 0.000 0.221 384 D C 0.140 176.150 176.300 -0.484 0.000 1.123 384 D CA -0.854 52.798 54.000 -0.580 0.000 0.869 384 D CB 0.185 40.531 40.800 -0.757 0.000 1.032 384 D HN 0.590 nan 8.370 nan 0.000 0.506 385 W N 3.067 124.272 121.300 -0.158 0.000 2.632 385 W HA -0.018 4.641 4.660 -0.000 0.000 0.248 385 W C 1.798 178.207 176.519 -0.183 0.000 1.259 385 W CA -0.266 56.995 57.345 -0.140 0.000 1.288 385 W CB 0.039 29.431 29.460 -0.113 0.000 1.136 385 W HN 0.430 nan 8.180 nan 0.000 0.640 386 L N -0.404 120.748 121.223 -0.119 0.000 2.375 386 L HA 0.031 4.371 4.340 -0.000 0.000 0.215 386 L C -0.219 176.268 176.870 -0.639 0.000 1.108 386 L CA 1.393 56.017 54.840 -0.359 0.000 0.830 386 L CB -0.187 41.617 42.059 -0.425 0.000 0.959 386 L HN 0.063 nan 8.230 nan 0.000 0.457 387 H N -0.579 118.407 119.070 -0.139 0.000 2.514 387 H HA 0.201 4.756 4.556 -0.000 0.000 0.226 387 H C -1.933 173.266 175.328 -0.215 0.000 1.421 387 H CA -0.980 54.979 56.048 -0.148 0.000 1.394 387 H CB 0.370 30.041 29.762 -0.152 0.000 1.701 387 H HN 0.009 nan 8.280 nan 0.000 0.515 388 P HA -0.090 nan 4.420 nan 0.000 0.244 388 P C 0.158 177.347 177.300 -0.185 0.000 1.211 388 P CA 0.902 63.846 63.100 -0.261 0.000 0.760 388 P CB 0.568 32.135 31.700 -0.221 0.000 0.961 389 E N -0.989 119.153 120.200 -0.098 0.000 2.676 389 E HA 0.043 4.393 4.350 -0.000 0.000 0.225 389 E C -0.072 176.494 176.600 -0.057 0.000 0.944 389 E CA -0.186 56.171 56.400 -0.072 0.000 1.156 389 E CB -0.034 29.645 29.700 -0.036 0.000 1.117 389 E HN 0.163 nan 8.360 nan 0.000 0.523 390 D N 4.104 124.478 120.400 -0.044 0.000 2.412 390 D HA -0.019 4.621 4.640 -0.000 0.000 0.257 390 D C -1.065 175.208 176.300 -0.045 0.000 1.217 390 D CA -1.421 52.554 54.000 -0.042 0.000 0.897 390 D CB 1.234 42.000 40.800 -0.058 0.000 1.132 390 D HN -0.126 nan 8.370 nan 0.000 0.493 391 P HA -0.183 nan 4.420 nan 0.000 0.214 391 P C 1.290 178.542 177.300 -0.080 0.000 1.163 391 P CA 1.273 64.324 63.100 -0.082 0.000 0.883 391 P CB -0.015 31.628 31.700 -0.094 0.000 0.788 392 T N -1.124 113.393 114.554 -0.062 0.000 2.699 392 T HA -0.223 4.126 4.350 -0.000 0.000 0.268 392 T C 1.838 176.525 174.700 -0.021 0.000 1.036 392 T CA 2.034 64.106 62.100 -0.047 0.000 1.147 392 T CB -1.056 67.798 68.868 -0.023 0.000 0.862 392 T HN 0.339 nan 8.240 nan 0.000 0.446 393 H N 0.584 119.607 119.070 -0.079 0.000 2.299 393 H HA 0.106 4.662 4.556 -0.000 0.000 0.302 393 H C 2.129 177.413 175.328 -0.074 0.000 1.078 393 H CA 1.253 57.260 56.048 -0.069 0.000 1.323 393 H CB -0.467 29.234 29.762 -0.102 0.000 1.381 393 H HN 0.208 nan 8.280 nan 0.000 0.498 394 L N 0.269 121.455 121.223 -0.061 0.000 1.997 394 L HA -0.307 4.033 4.340 -0.000 0.000 0.216 394 L C 2.896 179.805 176.870 0.066 0.000 1.074 394 L CA 1.892 56.641 54.840 -0.151 0.000 0.763 394 L CB -0.580 41.407 42.059 -0.121 0.000 0.890 394 L HN 0.354 nan 8.230 nan 0.000 0.434 395 R N 0.430 120.943 120.500 0.021 0.000 2.122 395 R HA -0.232 4.108 4.340 -0.000 0.000 0.236 395 R C 1.879 178.265 176.300 0.144 0.000 1.129 395 R CA 2.584 58.733 56.100 0.081 0.000 0.925 395 R CB -0.614 29.613 30.300 -0.121 0.000 0.850 395 R HN 0.384 nan 8.270 nan 0.000 0.431 396 D N 0.139 120.556 120.400 0.029 0.000 2.221 396 D HA -0.132 4.508 4.640 -0.000 0.000 0.204 396 D C 1.696 178.027 176.300 0.053 0.000 0.982 396 D CA 1.324 55.353 54.000 0.050 0.000 0.857 396 D CB -0.276 40.518 40.800 -0.010 0.000 0.934 396 D HN 0.431 nan 8.370 nan 0.000 0.475 397 A N 0.775 123.594 122.820 -0.002 0.000 1.877 397 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 397 A C 2.120 179.860 177.584 0.261 0.000 1.186 397 A CA 1.253 53.390 52.037 0.167 0.000 0.620 397 A CB -0.424 18.665 19.000 0.149 0.000 0.822 397 A HN 0.054 nan 8.150 nan 0.000 0.443 398 M N 0.300 120.102 119.600 0.338 0.000 2.073 398 M HA -0.142 4.338 4.480 -0.000 0.000 0.258 398 M C 2.475 178.775 176.300 0.001 0.000 1.070 398 M CA 2.140 57.519 55.300 0.131 0.000 1.103 398 M CB -1.284 31.429 32.600 0.189 0.000 1.321 398 M HN 0.523 nan 8.290 nan 0.000 0.405 399 S N -0.231 115.509 115.700 0.067 0.000 2.383 399 S HA -0.130 4.339 4.470 -0.000 0.000 0.229 399 S C 1.974 176.620 174.600 0.076 0.000 1.030 399 S CA 1.784 60.034 58.200 0.085 0.000 1.002 399 S CB -0.304 63.017 63.200 0.202 0.000 0.829 399 S HN 0.530 nan 8.310 nan 0.000 0.467 400 A N 0.734 123.621 122.820 0.112 0.000 1.897 400 A HA 0.074 4.394 4.320 -0.000 0.000 0.215 400 A C 2.359 179.960 177.584 0.030 0.000 1.181 400 A CA 1.534 53.674 52.037 0.171 0.000 0.620 400 A CB -1.012 18.228 19.000 0.399 0.000 0.821 400 A HN 0.464 nan 8.150 nan 0.000 0.443 401 V N -0.121 119.643 119.914 -0.250 0.000 2.282 401 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 401 V C 2.578 178.547 176.094 -0.209 0.000 1.057 401 V CA 2.204 64.282 62.300 -0.370 0.000 1.032 401 V CB -0.988 30.598 31.823 -0.395 0.000 0.645 401 V HN 0.377 nan 8.190 nan 0.000 0.447 402 V N 0.877 120.684 119.914 -0.179 0.000 2.261 402 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 402 V C 2.674 178.592 176.094 -0.293 0.000 1.047 402 V CA 2.296 64.466 62.300 -0.217 0.000 1.015 402 V CB -1.524 30.210 31.823 -0.148 0.000 0.642 402 V HN 0.604 nan 8.190 nan 0.000 0.446 403 G N -0.310 108.397 108.800 -0.155 0.000 2.422 403 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 403 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 403 G C 1.219 176.005 174.900 -0.189 0.000 1.146 403 G CA 1.060 46.080 45.100 -0.133 0.000 0.769 403 G HN 0.526 nan 8.290 nan 0.000 0.547 404 D N -0.380 119.931 120.400 -0.149 0.000 2.123 404 D HA -0.050 4.589 4.640 -0.000 0.000 0.200 404 D C 2.084 178.035 176.300 -0.581 0.000 0.976 404 D CA 1.021 54.902 54.000 -0.198 0.000 0.831 404 D CB -0.419 40.432 40.800 0.084 0.000 0.974 404 D HN 0.367 nan 8.370 nan 0.000 0.469 405 H N 1.141 119.616 119.070 -0.990 0.000 2.353 405 H HA 0.015 4.571 4.556 -0.001 0.000 0.300 405 H C 1.498 176.354 175.328 -0.786 0.000 1.090 405 H CA 1.600 56.851 56.048 -1.329 0.000 1.327 405 H CB 0.106 29.074 29.762 -1.325 0.000 1.383 405 H HN 0.005 nan 8.280 nan 0.000 0.508 406 N N -0.865 117.322 118.700 -0.856 0.000 2.439 406 N HA -0.004 4.736 4.740 -0.000 0.000 0.176 406 N C 1.584 176.797 175.510 -0.495 0.000 1.029 406 N CA 1.166 53.680 53.050 -0.893 0.000 0.886 406 N CB 0.790 38.160 38.487 -1.861 0.000 1.057 406 N HN 0.252 nan 8.380 nan 0.000 0.437 407 V N 0.223 119.890 119.914 -0.411 0.000 2.870 407 V HA 0.051 4.171 4.120 -0.000 0.000 0.232 407 V C 2.359 178.372 176.094 -0.135 0.000 1.161 407 V CA 0.329 62.537 62.300 -0.154 0.000 1.204 407 V CB -0.457 31.349 31.823 -0.029 0.000 1.003 407 V HN -0.143 nan 8.190 nan 0.000 0.499 408 V N 0.400 120.235 119.914 -0.132 0.000 2.220 408 V HA -0.327 3.793 4.120 -0.000 0.000 0.246 408 V C 2.615 178.638 176.094 -0.118 0.000 1.049 408 V CA 2.643 64.879 62.300 -0.105 0.000 1.003 408 V CB -1.088 30.703 31.823 -0.054 0.000 0.634 408 V HN 0.665 nan 8.190 nan 0.000 0.444 409 c N 0.144 118.666 118.600 -0.131 0.000 2.413 409 c HA -0.063 4.507 4.570 -0.000 0.000 0.276 409 c C 0.623 174.649 174.090 -0.107 0.000 1.248 409 c CA 1.285 57.568 56.329 -0.077 0.000 1.742 409 c CB -2.214 40.285 42.510 -0.018 0.000 2.017 409 c HN 0.497 nan 8.230 nan 0.000 0.481 410 P HA -0.057 nan 4.420 nan 0.000 0.217 410 P C 1.772 178.981 177.300 -0.152 0.000 1.150 410 P CA 1.280 64.276 63.100 -0.174 0.000 0.832 410 P CB -0.225 31.333 31.700 -0.237 0.000 0.787 411 V N 0.450 120.276 119.914 -0.147 0.000 2.261 411 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 411 V C 2.537 178.515 176.094 -0.192 0.000 1.047 411 V CA 2.416 64.620 62.300 -0.160 0.000 1.015 411 V CB -1.744 29.980 31.823 -0.165 0.000 0.642 411 V HN 0.105 nan 8.190 nan 0.000 0.446 412 A N -0.408 122.310 122.820 -0.170 0.000 1.933 412 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 412 A C 2.175 179.691 177.584 -0.113 0.000 1.175 412 A CA 2.145 54.082 52.037 -0.167 0.000 0.628 412 A CB -0.563 18.393 19.000 -0.074 0.000 0.814 412 A HN 0.578 nan 8.150 nan 0.000 0.444 413 Q N -0.522 119.232 119.800 -0.077 0.000 2.124 413 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 413 Q C 1.782 177.740 176.000 -0.070 0.000 0.977 413 Q CA 1.866 57.642 55.803 -0.045 0.000 0.850 413 Q CB -0.458 28.254 28.738 -0.042 0.000 0.901 413 Q HN 0.547 nan 8.270 nan 0.000 0.429 414 L N -0.156 120.995 121.223 -0.120 0.000 2.068 414 L HA 0.135 4.475 4.340 -0.000 0.000 0.204 414 L C 2.118 178.897 176.870 -0.152 0.000 1.076 414 L CA 1.828 56.585 54.840 -0.138 0.000 0.753 414 L CB -1.048 40.915 42.059 -0.161 0.000 0.910 414 L HN 0.232 nan 8.230 nan 0.000 0.439 415 A N -0.064 122.619 122.820 -0.228 0.000 1.869 415 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 415 A C 2.353 179.852 177.584 -0.142 0.000 1.203 415 A CA 2.172 54.009 52.037 -0.334 0.000 0.638 415 A CB -1.828 16.679 19.000 -0.821 0.000 0.831 415 A HN 0.540 nan 8.150 nan 0.000 0.450 416 G N -1.249 107.521 108.800 -0.050 0.000 2.446 416 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 416 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 416 G C 1.727 176.702 174.900 0.124 0.000 1.168 416 G CA 0.958 46.180 45.100 0.203 0.000 0.771 416 G HN 0.371 nan 8.290 nan 0.000 0.551 417 R N -0.476 120.059 120.500 0.058 0.000 2.096 417 R HA 0.031 4.371 4.340 -0.000 0.000 0.235 417 R C 2.545 178.909 176.300 0.106 0.000 1.127 417 R CA 0.611 56.756 56.100 0.076 0.000 0.968 417 R CB -0.855 29.472 30.300 0.045 0.000 0.861 417 R HN 0.340 nan 8.270 nan 0.000 0.440 418 L N 0.232 121.471 121.223 0.027 0.000 1.988 418 L HA -0.058 4.281 4.340 -0.000 0.000 0.207 418 L C 2.421 179.377 176.870 0.143 0.000 1.071 418 L CA 2.041 56.900 54.840 0.031 0.000 0.744 418 L CB -1.364 40.637 42.059 -0.096 0.000 0.893 418 L HN 0.126 nan 8.230 nan 0.000 0.433 419 A N -0.557 122.344 122.820 0.134 0.000 1.869 419 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 419 A C 2.434 180.102 177.584 0.139 0.000 1.203 419 A CA 2.537 54.668 52.037 0.157 0.000 0.638 419 A CB -1.266 17.868 19.000 0.223 0.000 0.831 419 A HN 0.475 nan 8.150 nan 0.000 0.450 420 A N -1.738 121.164 122.820 0.137 0.000 2.032 420 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 420 A C 2.031 179.686 177.584 0.118 0.000 1.165 420 A CA 2.148 54.253 52.037 0.113 0.000 0.645 420 A CB -0.406 18.659 19.000 0.107 0.000 0.807 420 A HN 0.580 nan 8.150 nan 0.000 0.453 421 Q N -2.472 117.430 119.800 0.170 0.000 2.360 421 Q HA 0.336 4.676 4.340 -0.000 0.000 0.202 421 Q C 1.153 177.241 176.000 0.147 0.000 0.915 421 Q CA 0.924 56.829 55.803 0.171 0.000 0.943 421 Q CB 0.447 29.367 28.738 0.303 0.000 1.064 421 Q HN 0.802 nan 8.270 nan 0.000 0.511 422 G N -1.326 107.562 108.800 0.147 0.000 2.705 422 G HA2 -0.143 3.816 3.960 -0.000 0.000 0.193 422 G HA3 -0.143 3.816 3.960 -0.000 0.000 0.193 422 G C 0.257 175.242 174.900 0.142 0.000 1.015 422 G CA -0.350 44.822 45.100 0.120 0.000 0.743 422 G HN 0.483 nan 8.290 nan 0.000 0.476 423 A N 0.697 123.631 122.820 0.191 0.000 2.547 423 A HA 0.515 4.834 4.320 -0.000 0.000 0.233 423 A C 0.779 178.449 177.584 0.143 0.000 1.067 423 A CA 1.191 53.334 52.037 0.177 0.000 0.763 423 A CB 0.083 19.177 19.000 0.157 0.000 1.007 423 A HN 1.060 nan 8.150 nan 0.000 0.506 424 R N 1.723 122.320 120.500 0.162 0.000 2.215 424 R HA 0.525 4.865 4.340 -0.000 0.000 0.336 424 R C -1.512 174.902 176.300 0.190 0.000 0.996 424 R CA -0.323 55.869 56.100 0.154 0.000 0.847 424 R CB 0.561 30.984 30.300 0.205 0.000 1.127 424 R HN 0.451 nan 8.270 nan 0.000 0.465 425 V N 4.926 124.900 119.914 0.099 0.000 2.769 425 V HA 0.511 4.631 4.120 -0.000 0.000 0.312 425 V C -1.008 175.124 176.094 0.064 0.000 1.058 425 V CA -0.713 61.667 62.300 0.132 0.000 0.952 425 V CB 1.649 33.543 31.823 0.118 0.000 1.019 425 V HN 0.636 nan 8.190 nan 0.000 0.445 426 Y N 0.831 121.181 120.300 0.083 0.000 2.545 426 Y HA 0.832 5.381 4.550 -0.000 0.000 0.348 426 Y C 0.228 176.368 175.900 0.400 0.000 1.002 426 Y CA -0.558 57.708 58.100 0.275 0.000 1.039 426 Y CB 2.286 40.639 38.460 -0.178 0.000 1.271 426 Y HN 0.818 nan 8.280 nan 0.000 0.467 427 A N 1.842 125.125 122.820 0.772 0.000 2.527 427 A HA 0.926 5.245 4.320 -0.000 0.000 0.293 427 A C -1.967 175.853 177.584 0.393 0.000 1.117 427 A CA -0.724 51.561 52.037 0.413 0.000 0.723 427 A CB 1.764 20.876 19.000 0.186 0.000 1.313 427 A HN 0.885 nan 8.150 nan 0.000 0.411 428 Y N -1.572 118.825 120.300 0.162 0.000 2.725 428 Y HA 0.798 5.348 4.550 -0.001 0.000 0.333 428 Y C -1.636 174.332 175.900 0.112 0.000 1.242 428 Y CA -1.490 56.640 58.100 0.049 0.000 1.059 428 Y CB 1.201 39.703 38.460 0.071 0.000 1.306 428 Y HN 0.406 nan 8.280 nan 0.000 0.454 429 I N 3.046 123.878 120.570 0.438 0.000 2.517 429 I HA 0.196 4.366 4.170 -0.000 0.000 0.280 429 I C -1.099 175.306 176.117 0.480 0.000 1.061 429 I CA -0.758 60.747 61.300 0.340 0.000 1.091 429 I CB 1.096 39.224 38.000 0.213 0.000 1.205 429 I HN 0.705 nan 8.210 nan 0.000 0.459 430 F N 6.312 126.550 119.950 0.481 0.000 2.541 430 F HA 0.112 4.639 4.527 -0.000 0.000 0.378 430 F C 1.122 177.085 175.800 0.271 0.000 1.068 430 F CA 0.803 59.024 58.000 0.369 0.000 1.199 430 F CB 0.610 39.833 39.000 0.371 0.000 1.091 430 F HN 0.510 nan 8.300 nan 0.000 0.555 431 E N 2.802 123.009 120.200 0.012 0.000 2.601 431 E HA -0.027 4.322 4.350 -0.000 0.000 0.219 431 E C -0.725 175.900 176.600 0.041 0.000 0.964 431 E CA -0.202 56.252 56.400 0.091 0.000 1.050 431 E CB 0.231 29.976 29.700 0.076 0.000 1.068 431 E HN 0.495 nan 8.360 nan 0.000 0.496 432 H N 2.083 120.979 119.070 -0.289 0.000 2.604 432 H HA 0.201 4.756 4.556 -0.001 0.000 0.306 432 H C -0.342 175.079 175.328 0.156 0.000 1.075 432 H CA -0.587 55.369 56.048 -0.152 0.000 1.357 432 H CB 0.444 30.043 29.762 -0.272 0.000 1.426 432 H HN -0.127 nan 8.280 nan 0.000 0.470 433 R N 4.406 124.765 120.500 -0.233 0.000 2.216 433 R HA 0.477 4.817 4.340 -0.000 0.000 0.332 433 R C -0.514 175.582 176.300 -0.340 0.000 1.056 433 R CA -0.525 55.504 56.100 -0.118 0.000 0.901 433 R CB 0.208 30.529 30.300 0.035 0.000 1.039 433 R HN 0.776 nan 8.270 nan 0.000 0.456 434 A N 3.229 126.061 122.820 0.021 0.000 2.531 434 A HA 0.017 4.337 4.320 -0.000 0.000 0.236 434 A C 1.323 179.033 177.584 0.210 0.000 1.062 434 A CA 0.426 52.655 52.037 0.319 0.000 0.760 434 A CB 0.343 19.735 19.000 0.652 0.000 0.995 434 A HN 1.037 nan 8.150 nan 0.000 0.501 435 S N 1.135 117.008 115.700 0.289 0.000 2.402 435 S HA -0.179 4.291 4.470 -0.000 0.000 0.229 435 S C 1.639 176.283 174.600 0.073 0.000 1.021 435 S CA 1.699 60.006 58.200 0.179 0.000 0.974 435 S CB -1.067 62.254 63.200 0.202 0.000 0.800 435 S HN 1.270 nan 8.310 nan 0.000 0.484 436 T N 0.062 114.624 114.554 0.013 0.000 3.035 436 T HA 0.162 4.512 4.350 -0.000 0.000 0.268 436 T C 0.889 175.564 174.700 -0.042 0.000 1.109 436 T CA -0.189 61.854 62.100 -0.095 0.000 1.119 436 T CB -0.690 67.992 68.868 -0.310 0.000 0.900 436 T HN 0.264 nan 8.240 nan 0.000 0.503 437 L N 4.165 125.411 121.223 0.038 0.000 2.678 437 L HA 0.015 4.354 4.340 -0.000 0.000 0.285 437 L C 1.278 178.153 176.870 0.008 0.000 1.233 437 L CA 1.257 56.125 54.840 0.047 0.000 0.920 437 L CB 0.003 42.105 42.059 0.071 0.000 1.176 437 L HN 0.541 nan 8.230 nan 0.000 0.495 438 T N 0.606 115.132 114.554 -0.048 0.000 3.107 438 T HA 0.044 4.393 4.350 -0.000 0.000 0.249 438 T C 0.391 175.143 174.700 0.086 0.000 1.096 438 T CA -0.427 61.638 62.100 -0.057 0.000 1.012 438 T CB -0.136 68.567 68.868 -0.276 0.000 0.977 438 T HN 0.467 nan 8.240 nan 0.000 0.527 439 W N 2.826 124.172 121.300 0.076 0.000 2.183 439 W HA 0.447 5.107 4.660 -0.000 0.000 0.348 439 W C -2.166 174.269 176.519 -0.140 0.000 1.257 439 W CA -2.266 55.080 57.345 0.002 0.000 1.324 439 W CB 0.051 29.450 29.460 -0.101 0.000 1.144 439 W HN -0.094 nan 8.180 nan 0.000 0.622 440 P HA -0.059 nan 4.420 nan 0.000 0.272 440 P C 0.800 178.034 177.300 -0.110 0.000 1.223 440 P CA -0.281 62.758 63.100 -0.101 0.000 0.784 440 P CB 0.790 32.373 31.700 -0.196 0.000 0.923 441 L N 2.429 123.662 121.223 0.017 0.000 2.043 441 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 441 L C 2.269 179.211 176.870 0.120 0.000 1.075 441 L CA 2.154 57.037 54.840 0.073 0.000 0.752 441 L CB -1.445 40.683 42.059 0.116 0.000 0.891 441 L HN 0.675 nan 8.230 nan 0.000 0.432 442 W N -0.059 121.298 121.300 0.096 0.000 2.336 442 W HA -0.256 4.404 4.660 -0.001 0.000 0.277 442 W C 1.657 178.242 176.519 0.110 0.000 1.211 442 W CA 0.729 58.134 57.345 0.101 0.000 1.187 442 W CB -1.029 28.492 29.460 0.102 0.000 1.132 442 W HN 0.209 nan 8.180 nan 0.000 0.562 443 M N 1.155 120.623 119.600 -0.221 0.000 2.556 443 M HA 0.190 4.669 4.480 -0.000 0.000 0.245 443 M C 1.949 178.239 176.300 -0.016 0.000 1.128 443 M CA 1.007 56.164 55.300 -0.238 0.000 1.069 443 M CB -0.506 31.712 32.600 -0.637 0.000 1.469 443 M HN 0.150 nan 8.290 nan 0.000 0.494 444 G N 1.304 110.131 108.800 0.045 0.000 2.692 444 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.339 444 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.339 444 G C 0.107 175.053 174.900 0.077 0.000 1.226 444 G CA 0.243 45.397 45.100 0.089 0.000 0.979 444 G HN 0.280 nan 8.290 nan 0.000 0.549 445 V N 4.095 124.088 119.914 0.132 0.000 2.257 445 V HA 0.444 4.564 4.120 -0.000 0.000 0.269 445 V C -1.819 174.387 176.094 0.187 0.000 1.040 445 V CA -0.884 61.529 62.300 0.188 0.000 0.813 445 V CB 1.393 33.391 31.823 0.293 0.000 1.065 445 V HN 0.433 nan 8.190 nan 0.000 0.457 446 P HA 0.114 nan 4.420 nan 0.000 0.272 446 P C -0.229 177.250 177.300 0.299 0.000 1.230 446 P CA -0.341 62.827 63.100 0.112 0.000 0.788 446 P CB 0.356 31.938 31.700 -0.197 0.000 0.949 447 H N 1.047 120.182 119.070 0.109 0.000 3.167 447 H HA 0.208 4.764 4.556 -0.001 0.000 0.306 447 H C 1.562 176.823 175.328 -0.111 0.000 0.965 447 H CA 2.270 58.337 56.048 0.032 0.000 1.408 447 H CB -0.665 29.136 29.762 0.065 0.000 1.406 447 H HN 0.732 nan 8.280 nan 0.000 0.576 448 G N 3.602 112.127 108.800 -0.458 0.000 2.176 448 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.253 448 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.253 448 G C 0.422 175.087 174.900 -0.392 0.000 0.979 448 G CA 0.409 45.199 45.100 -0.516 0.000 0.641 448 G HN 0.657 nan 8.290 nan 0.000 0.530 449 Y N 1.480 121.790 120.300 0.016 0.000 2.547 449 Y HA 0.287 4.837 4.550 -0.001 0.000 0.325 449 Y C 2.138 178.000 175.900 -0.062 0.000 1.165 449 Y CA 0.759 58.922 58.100 0.105 0.000 1.300 449 Y CB 0.273 38.853 38.460 0.201 0.000 1.126 449 Y HN 0.568 nan 8.280 nan 0.000 0.513 450 E N -0.297 119.710 120.200 -0.321 0.000 2.340 450 E HA -0.043 4.307 4.350 -0.000 0.000 0.198 450 E C 1.600 178.033 176.600 -0.279 0.000 0.961 450 E CA 0.491 56.367 56.400 -0.875 0.000 0.905 450 E CB -0.230 28.835 29.700 -1.059 0.000 0.884 450 E HN 0.434 nan 8.360 nan 0.000 0.491 451 I N 2.194 122.689 120.570 -0.125 0.000 2.118 451 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 451 I C 2.277 178.372 176.117 -0.037 0.000 1.070 451 I CA 1.922 63.217 61.300 -0.009 0.000 1.327 451 I CB -1.408 36.669 38.000 0.127 0.000 1.034 451 I HN 0.122 nan 8.210 nan 0.000 0.405 452 E N 1.364 121.486 120.200 -0.131 0.000 2.086 452 E HA -0.259 4.090 4.350 -0.000 0.000 0.205 452 E C 2.188 178.495 176.600 -0.488 0.000 1.027 452 E CA 1.907 58.116 56.400 -0.317 0.000 0.830 452 E CB -0.577 28.894 29.700 -0.382 0.000 0.751 452 E HN 0.477 nan 8.360 nan 0.000 0.456 453 F N 1.165 120.998 119.950 -0.196 0.000 2.060 453 F HA -0.154 4.373 4.527 -0.000 0.000 0.295 453 F C 2.530 178.126 175.800 -0.341 0.000 1.120 453 F CA 0.740 58.566 58.000 -0.291 0.000 1.205 453 F CB -0.462 38.395 39.000 -0.240 0.000 0.986 453 F HN -0.062 nan 8.300 nan 0.000 0.470 454 I N -0.378 120.043 120.570 -0.247 0.000 2.145 454 I HA -0.339 3.831 4.170 -0.000 0.000 0.244 454 I C 2.375 178.210 176.117 -0.470 0.000 1.075 454 I CA 1.949 62.931 61.300 -0.530 0.000 1.332 454 I CB -1.548 35.963 38.000 -0.815 0.000 1.033 454 I HN 0.107 nan 8.210 nan 0.000 0.410 455 F N 0.899 120.667 119.950 -0.303 0.000 2.365 455 F HA 0.038 4.564 4.527 -0.000 0.000 0.300 455 F C 1.949 177.630 175.800 -0.198 0.000 1.090 455 F CA 1.277 59.138 58.000 -0.232 0.000 1.408 455 F CB -0.377 38.474 39.000 -0.250 0.000 1.060 455 F HN 0.341 nan 8.300 nan 0.000 0.534 456 G N -0.368 108.296 108.800 -0.227 0.000 2.140 456 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.211 456 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.211 456 G C 0.786 175.167 174.900 -0.865 0.000 1.013 456 G CA 0.128 44.980 45.100 -0.414 0.000 0.705 456 G HN 0.236 nan 8.290 nan 0.000 0.508 457 L N 0.310 121.110 121.223 -0.704 0.000 2.187 457 L HA 0.063 4.403 4.340 -0.000 0.000 0.213 457 L C 0.412 176.883 176.870 -0.664 0.000 1.100 457 L CA 2.613 57.038 54.840 -0.692 0.000 0.765 457 L CB -0.878 40.998 42.059 -0.304 0.000 0.904 457 L HN 0.248 nan 8.230 nan 0.000 0.437 458 P HA -0.108 nan 4.420 nan 0.000 0.223 458 P C 1.780 178.889 177.300 -0.318 0.000 1.151 458 P CA 0.821 63.456 63.100 -0.775 0.000 0.787 458 P CB 0.069 31.121 31.700 -1.080 0.000 0.788 459 L N -0.820 120.151 121.223 -0.421 0.000 2.187 459 L HA -0.111 4.229 4.340 -0.000 0.000 0.213 459 L C 1.109 177.907 176.870 -0.120 0.000 1.100 459 L CA 1.201 55.894 54.840 -0.244 0.000 0.765 459 L CB -1.203 40.714 42.059 -0.236 0.000 0.904 459 L HN -0.008 nan 8.230 nan 0.000 0.437 460 D N -0.335 119.963 120.400 -0.171 0.000 2.339 460 D HA 0.060 4.700 4.640 -0.000 0.000 0.256 460 D C -1.679 174.659 176.300 0.064 0.000 1.214 460 D CA -2.026 52.008 54.000 0.057 0.000 0.877 460 D CB 1.508 42.392 40.800 0.141 0.000 1.111 460 D HN -0.074 nan 8.370 nan 0.000 0.478 461 P HA -0.130 nan 4.420 nan 0.000 0.218 461 P C 1.436 178.766 177.300 0.051 0.000 1.149 461 P CA 1.022 64.159 63.100 0.062 0.000 0.817 461 P CB 0.147 31.880 31.700 0.055 0.000 0.785 462 S N -0.234 115.494 115.700 0.047 0.000 2.356 462 S HA -0.158 4.312 4.470 -0.000 0.000 0.223 462 S C 1.985 176.586 174.600 0.003 0.000 1.032 462 S CA 1.090 59.303 58.200 0.023 0.000 1.005 462 S CB -1.735 61.479 63.200 0.024 0.000 0.867 462 S HN 0.050 nan 8.310 nan 0.000 0.449 463 L N 2.320 123.551 121.223 0.013 0.000 2.189 463 L HA -0.177 4.163 4.340 -0.000 0.000 0.214 463 L C 0.656 177.461 176.870 -0.107 0.000 1.097 463 L CA 1.288 56.108 54.840 -0.033 0.000 0.764 463 L CB -1.548 40.548 42.059 0.060 0.000 0.900 463 L HN 0.813 nan 8.230 nan 0.000 0.436 464 N N -2.684 116.007 118.700 -0.015 0.000 2.573 464 N HA -0.278 4.462 4.740 -0.000 0.000 0.280 464 N C -0.482 174.991 175.510 -0.062 0.000 1.187 464 N CA 0.420 53.464 53.050 -0.011 0.000 0.717 464 N CB -1.676 36.793 38.487 -0.030 0.000 0.899 464 N HN 0.284 nan 8.380 nan 0.000 0.546 465 Y N 0.365 120.676 120.300 0.018 0.000 2.771 465 Y HA 0.634 5.183 4.550 -0.000 0.000 0.359 465 Y C 1.690 177.645 175.900 0.092 0.000 1.247 465 Y CA -0.067 58.077 58.100 0.073 0.000 1.324 465 Y CB 0.387 38.902 38.460 0.092 0.000 1.539 465 Y HN 0.489 nan 8.280 nan 0.000 0.698 466 T N -3.168 111.593 114.554 0.346 0.000 2.943 466 T HA 0.216 4.565 4.350 -0.000 0.000 0.284 466 T C 0.670 175.478 174.700 0.181 0.000 1.015 466 T CA -0.348 61.878 62.100 0.210 0.000 1.042 466 T CB 1.322 70.299 68.868 0.182 0.000 1.055 466 T HN 0.606 nan 8.240 nan 0.000 0.500 467 T N 1.503 116.127 114.554 0.117 0.000 2.699 467 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 467 T C 1.594 176.348 174.700 0.090 0.000 1.036 467 T CA 1.919 64.072 62.100 0.089 0.000 1.147 467 T CB -0.461 68.444 68.868 0.061 0.000 0.862 467 T HN 0.793 nan 8.240 nan 0.000 0.446 468 E N 1.544 121.792 120.200 0.080 0.000 2.038 468 E HA -0.139 4.210 4.350 -0.000 0.000 0.195 468 E C 2.330 179.004 176.600 0.124 0.000 1.000 468 E CA 1.291 57.720 56.400 0.048 0.000 0.803 468 E CB -0.311 29.377 29.700 -0.020 0.000 0.750 468 E HN 0.612 nan 8.360 nan 0.000 0.448 469 E N 0.528 120.854 120.200 0.209 0.000 2.097 469 E HA -0.269 4.080 4.350 -0.000 0.000 0.196 469 E C 2.225 178.997 176.600 0.287 0.000 1.000 469 E CA 1.057 57.700 56.400 0.404 0.000 0.804 469 E CB -0.200 29.859 29.700 0.599 0.000 0.740 469 E HN 0.162 nan 8.360 nan 0.000 0.454 470 R N 1.117 121.708 120.500 0.152 0.000 2.080 470 R HA -0.173 4.167 4.340 -0.000 0.000 0.236 470 R C 2.396 178.740 176.300 0.073 0.000 1.137 470 R CA 1.515 57.646 56.100 0.051 0.000 0.943 470 R CB -0.344 29.983 30.300 0.044 0.000 0.846 470 R HN 0.121 nan 8.270 nan 0.000 0.431 471 I N 0.673 121.303 120.570 0.100 0.000 2.163 471 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 471 I C 2.398 178.616 176.117 0.169 0.000 1.085 471 I CA 1.147 62.504 61.300 0.095 0.000 1.347 471 I CB -0.540 37.504 38.000 0.073 0.000 1.044 471 I HN 0.200 nan 8.210 nan 0.000 0.408 472 F N 2.233 122.188 119.950 0.009 0.000 2.043 472 F HA -0.344 4.182 4.527 -0.000 0.000 0.297 472 F C 2.539 178.387 175.800 0.079 0.000 1.118 472 F CA 1.451 59.459 58.000 0.014 0.000 1.202 472 F CB -1.128 37.843 39.000 -0.048 0.000 0.965 472 F HN 0.086 nan 8.300 nan 0.000 0.482 473 A N 0.487 123.372 122.820 0.108 0.000 1.884 473 A HA -0.323 3.997 4.320 -0.000 0.000 0.219 473 A C 2.133 179.697 177.584 -0.032 0.000 1.197 473 A CA 2.411 54.422 52.037 -0.044 0.000 0.637 473 A CB -1.196 17.748 19.000 -0.092 0.000 0.827 473 A HN 0.680 nan 8.150 nan 0.000 0.450 474 Q N -1.190 118.610 119.800 0.000 0.000 2.112 474 Q HA -0.254 4.086 4.340 -0.000 0.000 0.206 474 Q C 2.382 178.374 176.000 -0.014 0.000 0.987 474 Q CA 1.752 57.550 55.803 -0.008 0.000 0.858 474 Q CB -0.278 28.462 28.738 0.004 0.000 0.905 474 Q HN 0.703 nan 8.270 nan 0.000 0.420 475 R N 0.726 121.243 120.500 0.028 0.000 2.070 475 R HA -0.135 4.205 4.340 -0.000 0.000 0.233 475 R C 2.312 178.571 176.300 -0.068 0.000 1.137 475 R CA 1.129 57.196 56.100 -0.055 0.000 0.945 475 R CB -0.212 30.160 30.300 0.122 0.000 0.845 475 R HN 0.201 nan 8.270 nan 0.000 0.430 476 L N 0.346 121.686 121.223 0.195 0.000 2.012 476 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 476 L C 2.616 179.663 176.870 0.295 0.000 1.073 476 L CA 1.712 56.782 54.840 0.383 0.000 0.748 476 L CB -0.350 41.741 42.059 0.054 0.000 0.891 476 L HN 0.302 nan 8.230 nan 0.000 0.431 477 M N -1.239 118.395 119.600 0.056 0.000 2.149 477 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 477 M C 2.224 178.573 176.300 0.081 0.000 1.064 477 M CA 1.442 56.752 55.300 0.018 0.000 1.102 477 M CB -0.584 31.987 32.600 -0.047 0.000 1.369 477 M HN 0.060 nan 8.290 nan 0.000 0.408 478 K N 0.398 120.807 120.400 0.016 0.000 2.057 478 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 478 K C 1.821 178.430 176.600 0.014 0.000 1.049 478 K CA 1.751 58.009 56.287 -0.047 0.000 0.931 478 K CB -0.537 31.855 32.500 -0.181 0.000 0.714 478 K HN 0.393 nan 8.250 nan 0.000 0.440 479 Y N -0.657 119.746 120.300 0.170 0.000 2.145 479 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 479 Y C 2.514 178.402 175.900 -0.020 0.000 1.145 479 Y CA 0.973 59.118 58.100 0.074 0.000 1.148 479 Y CB -0.611 37.943 38.460 0.157 0.000 0.981 479 Y HN 0.179 nan 8.280 nan 0.000 0.507 480 W N 0.936 122.278 121.300 0.069 0.000 2.329 480 W HA -0.254 4.405 4.660 -0.000 0.000 0.324 480 W C 2.624 179.108 176.519 -0.059 0.000 1.222 480 W CA 2.754 60.079 57.345 -0.034 0.000 1.270 480 W CB -1.031 28.342 29.460 -0.145 0.000 1.167 480 W HN 0.217 nan 8.180 nan 0.000 0.467 481 T N -0.996 113.629 114.554 0.118 0.000 2.737 481 T HA -0.251 4.099 4.350 -0.000 0.000 0.269 481 T C 1.502 176.190 174.700 -0.020 0.000 1.040 481 T CA 1.568 63.674 62.100 0.010 0.000 1.142 481 T CB -0.762 68.107 68.868 0.001 0.000 0.861 481 T HN -0.012 nan 8.240 nan 0.000 0.456 482 N N 0.751 119.446 118.700 -0.007 0.000 2.142 482 N HA 0.001 4.741 4.740 -0.000 0.000 0.186 482 N C 1.466 176.918 175.510 -0.096 0.000 1.023 482 N CA 1.043 54.066 53.050 -0.045 0.000 0.852 482 N CB -0.551 37.921 38.487 -0.025 0.000 0.998 482 N HN 0.510 nan 8.380 nan 0.000 0.424 483 F N 1.682 121.480 119.950 -0.254 0.000 2.171 483 F HA -0.038 4.489 4.527 -0.001 0.000 0.300 483 F C 2.109 177.782 175.800 -0.211 0.000 1.090 483 F CA 1.183 58.973 58.000 -0.349 0.000 1.293 483 F CB -0.388 38.284 39.000 -0.547 0.000 1.013 483 F HN 0.015 nan 8.300 nan 0.000 0.486 484 A N 2.124 124.821 122.820 -0.204 0.000 1.865 484 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 484 A C 2.444 179.889 177.584 -0.232 0.000 1.191 484 A CA 2.223 54.133 52.037 -0.210 0.000 0.623 484 A CB -0.816 18.135 19.000 -0.082 0.000 0.826 484 A HN 0.558 nan 8.150 nan 0.000 0.444 485 R N -0.710 119.690 120.500 -0.166 0.000 2.062 485 R HA -0.073 4.267 4.340 -0.000 0.000 0.226 485 R C 2.269 178.465 176.300 -0.173 0.000 1.125 485 R CA 2.055 58.072 56.100 -0.139 0.000 0.966 485 R CB -1.422 28.826 30.300 -0.086 0.000 0.861 485 R HN 0.583 nan 8.270 nan 0.000 0.433 486 T N -2.474 111.967 114.554 -0.188 0.000 2.866 486 T HA 0.196 4.546 4.350 -0.000 0.000 0.250 486 T C 1.425 175.980 174.700 -0.242 0.000 1.033 486 T CA 1.029 63.026 62.100 -0.172 0.000 1.145 486 T CB -0.095 68.700 68.868 -0.122 0.000 0.866 486 T HN 0.563 nan 8.240 nan 0.000 0.434 487 G N 1.094 109.652 108.800 -0.403 0.000 2.237 487 G HA2 0.025 3.985 3.960 -0.000 0.000 0.153 487 G HA3 0.025 3.985 3.960 -0.000 0.000 0.153 487 G C -0.520 174.268 174.900 -0.188 0.000 1.039 487 G CA 0.036 44.809 45.100 -0.545 0.000 0.719 487 G HN 0.861 nan 8.290 nan 0.000 0.491 488 D N -0.520 119.752 120.400 -0.214 0.000 2.688 488 D HA 0.322 4.961 4.640 -0.000 0.000 0.210 488 D C -1.985 174.126 176.300 -0.315 0.000 1.333 488 D CA -1.035 52.772 54.000 -0.323 0.000 0.920 488 D CB 2.021 42.773 40.800 -0.081 0.000 1.554 488 D HN -0.050 nan 8.370 nan 0.000 0.579 489 P HA -0.040 nan 4.420 nan 0.000 0.239 489 P C 0.082 177.381 177.300 -0.002 0.000 1.184 489 P CA 0.095 62.994 63.100 -0.336 0.000 0.760 489 P CB 0.291 31.484 31.700 -0.845 0.000 0.884 490 N N 1.062 119.759 118.700 -0.006 0.000 2.530 490 N HA 0.085 4.825 4.740 -0.000 0.000 0.273 490 N C 0.248 175.804 175.510 0.075 0.000 1.173 490 N CA 0.257 53.377 53.050 0.117 0.000 0.967 490 N CB 0.124 38.691 38.487 0.134 0.000 1.109 490 N HN 0.100 nan 8.380 nan 0.000 0.453 491 D N 2.951 123.408 120.400 0.094 0.000 2.662 491 D HA -0.026 4.614 4.640 -0.000 0.000 0.233 491 D C -1.289 175.033 176.300 0.036 0.000 1.129 491 D CA -0.788 53.239 54.000 0.046 0.000 0.851 491 D CB -0.427 40.403 40.800 0.051 0.000 1.152 491 D HN 0.264 nan 8.370 nan 0.000 0.507 492 P HA -0.327 nan 4.420 nan 0.000 0.241 492 P C 1.842 179.153 177.300 0.017 0.000 0.841 492 P CA 3.042 66.147 63.100 0.008 0.000 1.115 492 P CB -0.105 31.596 31.700 0.002 0.000 0.725 493 R N -1.019 119.491 120.500 0.015 0.000 2.146 493 R HA 0.161 4.501 4.340 -0.000 0.000 0.206 493 R C 1.693 178.008 176.300 0.025 0.000 1.049 493 R CA 1.725 57.837 56.100 0.019 0.000 1.029 493 R CB -1.828 28.480 30.300 0.013 0.000 0.949 493 R HN 0.581 nan 8.270 nan 0.000 0.471 494 D N 1.160 121.573 120.400 0.022 0.000 2.501 494 D HA 0.403 5.043 4.640 -0.000 0.000 0.268 494 D C 0.672 176.993 176.300 0.036 0.000 1.361 494 D CA 0.330 54.344 54.000 0.024 0.000 1.258 494 D CB -1.068 39.743 40.800 0.018 0.000 1.136 494 D HN 0.908 nan 8.370 nan 0.000 0.528 495 S N 0.849 116.573 115.700 0.040 0.000 3.988 495 S HA 0.477 4.947 4.470 -0.000 0.000 0.180 495 S C 1.298 175.930 174.600 0.053 0.000 1.242 495 S CA 0.385 58.616 58.200 0.053 0.000 0.947 495 S CB -0.964 62.266 63.200 0.050 0.000 1.519 495 S HN 1.049 nan 8.310 nan 0.000 0.439 496 K N 1.218 121.651 120.400 0.054 0.000 2.021 496 K HA 0.633 4.952 4.320 -0.000 0.000 0.238 496 K C 1.282 177.920 176.600 0.064 0.000 1.149 496 K CA 0.808 57.126 56.287 0.051 0.000 1.105 496 K CB -2.057 30.468 32.500 0.042 0.000 1.246 496 K HN 2.098 nan 8.250 nan 0.000 0.307 497 S N 1.281 117.015 115.700 0.057 0.000 4.116 497 S HA -0.157 4.313 4.470 -0.000 0.000 0.623 497 S C -1.252 173.396 174.600 0.079 0.000 1.933 497 S CA 0.917 59.153 58.200 0.059 0.000 4.224 497 S CB -2.542 60.688 63.200 0.049 0.000 0.208 497 S HN 0.765 nan 8.310 nan 0.000 0.527 498 P HA 0.525 nan 4.420 nan 0.000 0.264 498 P C -0.445 176.949 177.300 0.157 0.000 1.193 498 P CA 0.260 63.423 63.100 0.105 0.000 0.763 498 P CB 0.846 32.603 31.700 0.094 0.000 0.810 499 Q N 1.430 121.321 119.800 0.151 0.000 2.257 499 Q HA 0.521 4.860 4.340 -0.000 0.000 0.262 499 Q C -1.636 174.533 176.000 0.281 0.000 0.997 499 Q CA -0.451 55.479 55.803 0.212 0.000 0.873 499 Q CB 1.010 29.848 28.738 0.167 0.000 1.312 499 Q HN 0.465 nan 8.270 nan 0.000 0.450 500 W N 6.553 127.939 121.300 0.143 0.000 2.278 500 W HA 0.493 5.153 4.660 -0.001 0.000 0.317 500 W C -2.738 173.903 176.519 0.203 0.000 1.030 500 W CA -2.699 54.742 57.345 0.160 0.000 1.334 500 W CB 0.875 30.431 29.460 0.159 0.000 1.215 500 W HN 0.476 nan 8.180 nan 0.000 0.405 501 P HA 0.299 nan 4.420 nan 0.000 0.282 501 P C -2.628 174.757 177.300 0.143 0.000 1.249 501 P CA -1.848 61.400 63.100 0.246 0.000 0.806 501 P CB 0.971 32.736 31.700 0.108 0.000 0.984 502 P HA 0.001 nan 4.420 nan 0.000 0.265 502 P C -0.433 176.820 177.300 -0.079 0.000 1.193 502 P CA 0.206 63.047 63.100 -0.433 0.000 0.765 502 P CB -0.062 31.417 31.700 -0.369 0.000 0.823 503 Y N 3.750 123.998 120.300 -0.088 0.000 2.526 503 Y HA 0.267 4.816 4.550 -0.000 0.000 0.330 503 Y C 0.152 176.047 175.900 -0.008 0.000 1.156 503 Y CA 0.715 58.827 58.100 0.019 0.000 1.419 503 Y CB 0.212 38.717 38.460 0.075 0.000 1.250 503 Y HN 0.379 nan 8.280 nan 0.000 0.540 504 T N 1.626 115.922 114.554 -0.431 0.000 2.900 504 T HA 0.257 4.607 4.350 -0.000 0.000 0.295 504 T C 0.881 175.364 174.700 -0.362 0.000 1.044 504 T CA -0.312 61.638 62.100 -0.250 0.000 0.995 504 T CB 1.388 70.154 68.868 -0.171 0.000 1.072 504 T HN 0.658 nan 8.240 nan 0.000 0.473 505 T N 1.416 115.911 114.554 -0.098 0.000 2.607 505 T HA -0.183 4.166 4.350 -0.000 0.000 0.267 505 T C 2.361 177.006 174.700 -0.093 0.000 1.049 505 T CA 1.417 63.493 62.100 -0.039 0.000 1.162 505 T CB -0.948 67.939 68.868 0.032 0.000 0.863 505 T HN 0.835 nan 8.240 nan 0.000 0.424 506 A N 1.957 124.731 122.820 -0.076 0.000 1.845 506 A HA 0.228 4.547 4.320 -0.000 0.000 0.215 506 A C 2.728 180.255 177.584 -0.095 0.000 1.195 506 A CA 2.179 54.178 52.037 -0.063 0.000 0.616 506 A CB -1.330 17.644 19.000 -0.042 0.000 0.832 506 A HN 0.657 nan 8.150 nan 0.000 0.443 507 A N -2.405 120.336 122.820 -0.133 0.000 2.021 507 A HA 0.170 4.490 4.320 -0.000 0.000 0.216 507 A C 1.000 178.468 177.584 -0.193 0.000 1.163 507 A CA 0.985 52.943 52.037 -0.131 0.000 0.676 507 A CB -0.319 18.617 19.000 -0.106 0.000 0.818 507 A HN 0.608 nan 8.150 nan 0.000 0.453 508 Q N -0.221 119.341 119.800 -0.397 0.000 2.460 508 Q HA -0.179 4.161 4.340 -0.000 0.000 0.311 508 Q C -0.982 174.860 176.000 -0.263 0.000 1.396 508 Q CA 0.592 56.031 55.803 -0.607 0.000 0.838 508 Q CB -1.638 26.985 28.738 -0.192 0.000 1.140 508 Q HN 0.853 nan 8.270 nan 0.000 0.415 509 Q N 0.616 120.271 119.800 -0.242 0.000 2.243 509 Q HA 0.568 4.908 4.340 -0.000 0.000 0.252 509 Q C -0.340 175.786 176.000 0.210 0.000 0.909 509 Q CA -0.182 55.601 55.803 -0.034 0.000 0.922 509 Q CB 0.919 29.620 28.738 -0.062 0.000 1.215 509 Q HN 0.372 nan 8.270 nan 0.000 0.427 510 Y N -1.619 118.712 120.300 0.052 0.000 2.625 510 Y HA 0.720 5.270 4.550 -0.000 0.000 0.338 510 Y C -1.222 174.575 175.900 -0.173 0.000 1.123 510 Y CA -1.421 56.682 58.100 0.005 0.000 1.046 510 Y CB 0.745 39.262 38.460 0.095 0.000 1.299 510 Y HN 0.370 nan 8.280 nan 0.000 0.464 511 V N -0.607 119.183 119.914 -0.207 0.000 2.864 511 V HA 0.738 4.858 4.120 -0.000 0.000 0.314 511 V C -0.207 175.807 176.094 -0.134 0.000 1.073 511 V CA -0.543 61.534 62.300 -0.372 0.000 0.956 511 V CB 1.339 32.657 31.823 -0.842 0.000 1.023 511 V HN 1.110 nan 8.190 nan 0.000 0.435 512 S N 4.342 119.972 115.700 -0.117 0.000 2.400 512 S HA 0.398 4.868 4.470 -0.000 0.000 0.295 512 S C -0.238 174.330 174.600 -0.053 0.000 1.113 512 S CA -0.573 57.620 58.200 -0.011 0.000 1.064 512 S CB -0.137 63.054 63.200 -0.015 0.000 0.990 512 S HN 0.689 nan 8.310 nan 0.000 0.502 513 L N 5.785 127.018 121.223 0.018 0.000 2.363 513 L HA 0.418 4.758 4.340 -0.000 0.000 0.286 513 L C 0.293 177.133 176.870 -0.050 0.000 1.106 513 L CA 0.366 55.235 54.840 0.048 0.000 0.859 513 L CB -0.849 41.308 42.059 0.164 0.000 1.223 513 L HN 0.995 nan 8.230 nan 0.000 0.446 514 N N 1.842 120.422 118.700 -0.201 0.000 3.179 514 N HA 0.239 4.979 4.740 -0.000 0.000 0.250 514 N C 0.671 175.616 175.510 -0.942 0.000 1.507 514 N CA -0.831 51.862 53.050 -0.596 0.000 0.883 514 N CB 0.536 38.831 38.487 -0.320 0.000 1.435 514 N HN 0.184 nan 8.380 nan 0.000 0.532 515 L N -1.064 119.492 121.223 -1.111 0.000 2.034 515 L HA -0.169 4.170 4.340 -0.000 0.000 0.217 515 L C 0.448 177.054 176.870 -0.439 0.000 1.077 515 L CA 1.575 55.908 54.840 -0.845 0.000 0.769 515 L CB -0.727 40.951 42.059 -0.636 0.000 0.890 515 L HN 0.564 nan 8.230 nan 0.000 0.435 516 K N -0.167 120.052 120.400 -0.302 0.000 2.237 516 K HA 0.213 4.533 4.320 -0.000 0.000 0.270 516 K C -2.072 174.448 176.600 -0.132 0.000 1.015 516 K CA -1.977 54.209 56.287 -0.169 0.000 0.949 516 K CB -0.103 32.325 32.500 -0.121 0.000 0.976 516 K HN -0.158 nan 8.250 nan 0.000 0.472 517 P HA -0.081 nan 4.420 nan 0.000 0.270 517 P C -0.006 177.290 177.300 -0.006 0.000 1.221 517 P CA -0.138 62.957 63.100 -0.007 0.000 0.788 517 P CB 0.379 32.086 31.700 0.011 0.000 0.904 518 L N 1.316 122.568 121.223 0.047 0.000 2.640 518 L HA -0.135 4.205 4.340 -0.000 0.000 0.300 518 L C 1.130 177.975 176.870 -0.042 0.000 1.259 518 L CA 1.255 56.093 54.840 -0.003 0.000 0.879 518 L CB -0.112 41.973 42.059 0.044 0.000 1.125 518 L HN 0.552 nan 8.230 nan 0.000 0.507 519 E N 3.287 123.431 120.200 -0.094 0.000 3.117 519 E HA 0.193 4.543 4.350 -0.000 0.000 0.262 519 E C -0.958 175.549 176.600 -0.156 0.000 1.202 519 E CA -0.517 55.825 56.400 -0.097 0.000 0.853 519 E CB 1.048 30.700 29.700 -0.080 0.000 1.426 519 E HN 0.356 nan 8.360 nan 0.000 0.387 520 V N 3.087 122.903 119.914 -0.164 0.000 2.752 520 V HA -0.057 4.063 4.120 -0.000 0.000 0.306 520 V C 0.670 176.589 176.094 -0.292 0.000 1.099 520 V CA 0.932 63.093 62.300 -0.231 0.000 1.240 520 V CB 0.066 31.797 31.823 -0.153 0.000 0.887 520 V HN 0.561 nan 8.190 nan 0.000 0.499 521 R N 3.766 123.953 120.500 -0.522 0.000 2.867 521 R HA 0.751 5.090 4.340 -0.000 0.000 0.268 521 R C -0.927 175.036 176.300 -0.562 0.000 1.014 521 R CA -1.081 54.656 56.100 -0.605 0.000 0.946 521 R CB 2.294 32.088 30.300 -0.844 0.000 1.208 521 R HN 0.657 nan 8.270 nan 0.000 0.477 522 R N 0.089 120.435 120.500 -0.255 0.000 2.599 522 R HA 0.572 4.912 4.340 -0.000 0.000 0.295 522 R C -0.664 175.733 176.300 0.161 0.000 0.963 522 R CA -0.775 55.296 56.100 -0.048 0.000 0.883 522 R CB 2.097 32.371 30.300 -0.043 0.000 1.171 522 R HN 0.851 nan 8.270 nan 0.000 0.450 523 G N 2.483 111.444 108.800 0.270 0.000 3.445 523 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.634 523 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.634 523 G C -0.646 174.489 174.900 0.390 0.000 0.909 523 G CA -0.832 44.445 45.100 0.295 0.000 0.740 523 G HN 0.517 nan 8.290 nan 0.000 0.441 524 L N 4.327 125.703 121.223 0.255 0.000 2.295 524 L HA 0.352 4.691 4.340 -0.000 0.000 0.288 524 L C 1.595 178.504 176.870 0.064 0.000 1.079 524 L CA -0.855 53.969 54.840 -0.026 0.000 0.830 524 L CB 0.301 42.269 42.059 -0.152 0.000 1.200 524 L HN 0.792 nan 8.230 nan 0.000 0.438 525 R N 2.634 123.189 120.500 0.092 0.000 3.358 525 R HA -0.299 4.040 4.340 -0.000 0.000 0.248 525 R C 1.337 177.735 176.300 0.163 0.000 0.981 525 R CA 0.583 56.767 56.100 0.140 0.000 0.662 525 R CB -1.918 28.469 30.300 0.145 0.000 1.037 525 R HN 0.878 nan 8.270 nan 0.000 0.460 526 A N 0.593 123.508 122.820 0.158 0.000 1.909 526 A HA -0.355 3.965 4.320 -0.000 0.000 0.221 526 A C 2.102 179.779 177.584 0.154 0.000 1.223 526 A CA 2.152 54.280 52.037 0.152 0.000 0.658 526 A CB -0.239 18.844 19.000 0.137 0.000 0.831 526 A HN 0.492 nan 8.150 nan 0.000 0.462 527 Q N -1.189 118.704 119.800 0.154 0.000 1.965 527 Q HA -0.070 4.269 4.340 -0.000 0.000 0.200 527 Q C 2.365 178.490 176.000 0.207 0.000 0.981 527 Q CA 2.278 58.178 55.803 0.163 0.000 0.834 527 Q CB -0.899 27.932 28.738 0.155 0.000 0.900 527 Q HN 0.672 nan 8.270 nan 0.000 0.426 528 T N -0.219 114.481 114.554 0.243 0.000 2.653 528 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 528 T C 1.878 176.795 174.700 0.362 0.000 1.035 528 T CA 1.564 63.815 62.100 0.251 0.000 1.154 528 T CB -0.643 68.434 68.868 0.349 0.000 0.862 528 T HN 0.380 nan 8.240 nan 0.000 0.441 529 c N 1.305 120.097 118.600 0.320 0.000 2.456 529 c HA 0.337 4.907 4.570 -0.000 0.000 0.279 529 c C 3.088 177.326 174.090 0.247 0.000 1.427 529 c CA -0.202 56.314 56.329 0.311 0.000 1.778 529 c CB -1.553 41.075 42.510 0.196 0.000 1.842 529 c HN 0.653 nan 8.230 nan 0.000 0.531 530 A N 0.285 123.233 122.820 0.213 0.000 1.929 530 A HA -0.077 4.242 4.320 -0.000 0.000 0.216 530 A C 1.813 179.520 177.584 0.206 0.000 1.176 530 A CA 1.025 53.168 52.037 0.178 0.000 0.628 530 A CB -0.695 18.395 19.000 0.149 0.000 0.816 530 A HN 0.470 nan 8.150 nan 0.000 0.444 531 F N -0.269 119.689 119.950 0.014 0.000 2.043 531 F HA -0.222 4.305 4.527 -0.001 0.000 0.297 531 F C 1.932 177.702 175.800 -0.051 0.000 1.121 531 F CA 1.636 59.579 58.000 -0.096 0.000 1.199 531 F CB -0.959 37.734 39.000 -0.512 0.000 0.968 531 F HN 0.402 nan 8.300 nan 0.000 0.478 532 W N 0.734 121.873 121.300 -0.268 0.000 2.378 532 W HA -0.165 4.495 4.660 -0.000 0.000 0.313 532 W C 2.377 178.791 176.519 -0.175 0.000 1.197 532 W CA 1.171 58.309 57.345 -0.344 0.000 1.304 532 W CB -0.792 28.597 29.460 -0.118 0.000 1.148 532 W HN -0.012 nan 8.180 nan 0.000 0.494 533 N N -0.077 118.734 118.700 0.185 0.000 2.354 533 N HA -0.034 4.705 4.740 -0.000 0.000 0.179 533 N C 1.567 177.118 175.510 0.069 0.000 1.021 533 N CA 1.078 54.189 53.050 0.101 0.000 0.887 533 N CB -0.409 38.131 38.487 0.089 0.000 0.974 533 N HN 0.293 nan 8.380 nan 0.000 0.437 534 R N -0.901 119.653 120.500 0.090 0.000 2.102 534 R HA 0.167 4.507 4.340 -0.000 0.000 0.208 534 R C 1.638 178.015 176.300 0.128 0.000 1.131 534 R CA 0.162 56.323 56.100 0.103 0.000 1.054 534 R CB -0.452 29.925 30.300 0.128 0.000 0.954 534 R HN 0.117 nan 8.270 nan 0.000 0.465 535 F N 2.074 122.005 119.950 -0.031 0.000 2.147 535 F HA 0.061 4.587 4.527 -0.000 0.000 0.291 535 F C 2.095 177.833 175.800 -0.103 0.000 1.093 535 F CA 0.722 58.702 58.000 -0.033 0.000 1.263 535 F CB -0.601 38.426 39.000 0.045 0.000 1.036 535 F HN -0.142 nan 8.300 nan 0.000 0.481 536 L N 0.823 121.716 121.223 -0.550 0.000 2.034 536 L HA -0.242 4.097 4.340 -0.000 0.000 0.217 536 L C -0.444 176.157 176.870 -0.449 0.000 1.077 536 L CA 2.541 56.953 54.840 -0.712 0.000 0.769 536 L CB -1.922 39.646 42.059 -0.819 0.000 0.890 536 L HN 0.132 nan 8.230 nan 0.000 0.435 537 P HA -0.212 nan 4.420 nan 0.000 0.214 537 P C 1.296 178.493 177.300 -0.172 0.000 1.163 537 P CA 1.655 64.662 63.100 -0.154 0.000 0.889 537 P CB -0.201 31.452 31.700 -0.079 0.000 0.790 538 K N -0.358 119.937 120.400 -0.176 0.000 2.211 538 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 538 K C 2.197 178.676 176.600 -0.202 0.000 1.047 538 K CA 1.169 57.376 56.287 -0.133 0.000 0.935 538 K CB -1.400 31.073 32.500 -0.045 0.000 0.728 538 K HN 0.250 nan 8.250 nan 0.000 0.452 539 L N 1.056 122.036 121.223 -0.406 0.000 2.027 539 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 539 L C 2.546 179.295 176.870 -0.203 0.000 1.074 539 L CA 1.022 55.641 54.840 -0.369 0.000 0.745 539 L CB -0.248 41.492 42.059 -0.531 0.000 0.898 539 L HN 0.132 nan 8.230 nan 0.000 0.433 540 L N -0.648 120.454 121.223 -0.202 0.000 2.046 540 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 540 L C 2.556 179.376 176.870 -0.084 0.000 1.077 540 L CA 1.548 56.315 54.840 -0.123 0.000 0.747 540 L CB -0.491 41.502 42.059 -0.110 0.000 0.896 540 L HN 0.367 nan 8.230 nan 0.000 0.432 541 S N -0.765 114.885 115.700 -0.083 0.000 2.607 541 S HA 0.091 4.561 4.470 -0.000 0.000 0.224 541 S C 1.659 176.233 174.600 -0.044 0.000 0.969 541 S CA 0.487 58.655 58.200 -0.054 0.000 0.927 541 S CB 0.080 63.253 63.200 -0.045 0.000 0.772 541 S HN 0.361 nan 8.310 nan 0.000 0.533 542 A N 1.943 124.732 122.820 -0.052 0.000 1.973 542 A HA 0.280 4.600 4.320 -0.000 0.000 0.210 542 A C 1.580 179.147 177.584 -0.028 0.000 1.200 542 A CA 0.797 52.814 52.037 -0.033 0.000 0.707 542 A CB -0.794 18.188 19.000 -0.030 0.000 0.862 542 A HN 0.593 nan 8.150 nan 0.000 0.461 543 T N 0.000 114.531 114.554 -0.038 0.000 3.816 543 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 543 T CA 0.000 62.083 62.100 -0.029 0.000 1.349 543 T CB 0.000 68.848 68.868 -0.033 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658