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 1hzh_1_K DATA FIRST_RESID 1 DATA SEQUENCE QVQLVQSGAE VKKPGASVKV ScQASGYRFS NFVIHWVRQA PGQRFEWMGW DATA SEQUENCE IPYNGNKEFS AKFQDRVTFT ADTSANTAYM ELRSADTAVY YcARVGPYSM DATA SEQUENCE DVWGKGTTVI VSSASTKGPS VFPLAPSXXX XXXXXXTAAL GcLVKDYFPE DATA SEQUENCE PVTVXSWXXX XNSGALTSGX VHTFPAVLQS XSGLYSLSSV VTVPSSSLGT DATA SEQUENCE XXQXTYIcNV NHKPSNTKVD KKXXAEPKSC XDXXKXXXCP PCPAPELLGG DATA SEQUENCE PSVFLFPPKP KDTLMISRTP EVTcVVVDVS HEDPEVKFNW YVXXDGXXVE DATA SEQUENCE VHNAKTKPRE EQYNXXSTYR VVSVLTVLHQ DWLNGKEYKc KVSNKALPAP DATA SEQUENCE IEKTIXSKAK GXQPREPQVY TLPPSRDEXX LTKNQVSLTc LVKGFYPSDI DATA SEQUENCE AVXXEWESXN GXXQPENNYK TTPPVLDSXD XXGSFFLYSK LTVDKSRWQQ DATA SEQUENCE GNVFScSVMH EALHNHYTQK SLSLS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.008 176.000 0.013 0.000 1.003 1 Q CA 0.000 55.805 55.803 0.003 0.000 1.022 1 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 2 V N 3.178 123.073 119.914 -0.032 0.000 2.427 2 V HA 0.231 4.351 4.120 -0.000 0.000 0.268 2 V C -0.104 175.982 176.094 -0.013 0.000 1.046 2 V CA 0.048 62.316 62.300 -0.052 0.000 0.970 2 V CB 1.096 32.759 31.823 -0.267 0.000 1.001 2 V HN 0.671 nan 8.190 nan 0.000 0.476 3 Q N 4.354 124.195 119.800 0.069 0.000 2.333 3 Q HA 0.512 4.852 4.340 -0.000 0.000 0.265 3 Q C -1.210 174.846 176.000 0.093 0.000 0.989 3 Q CA -0.726 55.116 55.803 0.064 0.000 0.842 3 Q CB 2.324 31.098 28.738 0.060 0.000 1.262 3 Q HN 0.508 nan 8.270 nan 0.000 0.451 4 L N 3.562 124.822 121.223 0.062 0.000 2.384 4 L HA 0.360 4.700 4.340 -0.000 0.000 0.261 4 L C -0.916 175.992 176.870 0.062 0.000 1.024 4 L CA -0.435 54.443 54.840 0.064 0.000 0.899 4 L CB 1.661 43.735 42.059 0.025 0.000 1.243 4 L HN 0.288 nan 8.230 nan 0.000 0.449 5 V N 4.328 124.276 119.914 0.057 0.000 2.370 5 V HA 0.479 4.599 4.120 -0.000 0.000 0.283 5 V C 0.062 176.192 176.094 0.061 0.000 1.023 5 V CA -0.655 61.679 62.300 0.057 0.000 0.857 5 V CB 1.464 33.313 31.823 0.044 0.000 0.985 5 V HN 0.734 nan 8.190 nan 0.000 0.443 6 Q N 3.125 122.976 119.800 0.086 0.000 2.241 6 Q HA 0.674 5.014 4.340 -0.000 0.000 0.262 6 Q C -0.013 176.047 176.000 0.100 0.000 1.014 6 Q CA -0.771 55.099 55.803 0.111 0.000 0.885 6 Q CB 1.641 30.481 28.738 0.170 0.000 1.311 6 Q HN 0.655 nan 8.270 nan 0.000 0.461 7 S N 0.147 115.912 115.700 0.109 0.000 2.589 7 S HA 0.341 4.811 4.470 -0.000 0.000 0.265 7 S C 0.752 175.402 174.600 0.083 0.000 1.342 7 S CA -0.373 57.882 58.200 0.090 0.000 1.005 7 S CB 0.284 63.542 63.200 0.097 0.000 0.909 7 S HN 0.792 nan 8.310 nan 0.000 0.555 8 G N 0.095 108.934 108.800 0.066 0.000 2.732 8 G HA2 0.444 4.404 3.960 -0.000 0.000 0.244 8 G HA3 0.444 4.404 3.960 -0.000 0.000 0.244 8 G C 0.310 175.245 174.900 0.058 0.000 1.226 8 G CA -0.368 44.766 45.100 0.056 0.000 0.860 8 G HN 1.285 nan 8.290 nan 0.000 0.583 9 A N 0.097 122.947 122.820 0.050 0.000 2.483 9 A HA 0.482 4.802 4.320 -0.000 0.000 0.238 9 A C 0.391 178.004 177.584 0.049 0.000 1.070 9 A CA 0.096 52.163 52.037 0.050 0.000 0.770 9 A CB 0.260 19.282 19.000 0.038 0.000 1.008 9 A HN 0.571 nan 8.150 nan 0.000 0.497 10 E N 0.439 120.671 120.200 0.052 0.000 2.244 10 E HA 0.571 4.921 4.350 -0.000 0.000 0.266 10 E C -1.291 175.344 176.600 0.058 0.000 0.914 10 E CA -0.672 55.756 56.400 0.046 0.000 0.794 10 E CB 1.995 31.711 29.700 0.027 0.000 1.210 10 E HN 0.301 nan 8.360 nan 0.000 0.414 11 V N 2.721 122.675 119.914 0.066 0.000 2.439 11 V HA 0.306 4.426 4.120 -0.000 0.000 0.277 11 V C -0.249 175.904 176.094 0.099 0.000 1.008 11 V CA -0.874 61.484 62.300 0.098 0.000 0.846 11 V CB 1.041 32.936 31.823 0.120 0.000 1.031 11 V HN 0.387 nan 8.190 nan 0.000 0.441 12 K N 2.659 123.112 120.400 0.089 0.000 2.295 12 K HA 0.703 5.023 4.320 -0.000 0.000 0.239 12 K C -0.592 176.053 176.600 0.074 0.000 0.991 12 K CA -0.853 55.473 56.287 0.064 0.000 0.845 12 K CB 2.685 35.203 32.500 0.031 0.000 1.197 12 K HN 0.444 nan 8.250 nan 0.000 0.441 13 K N 1.356 121.783 120.400 0.046 0.000 2.118 13 K HA 0.385 4.705 4.320 -0.000 0.000 0.254 13 K C -2.473 174.138 176.600 0.019 0.000 0.961 13 K CA -1.975 54.333 56.287 0.034 0.000 0.876 13 K CB 0.810 33.319 32.500 0.014 0.000 1.077 13 K HN 0.187 nan 8.250 nan 0.000 0.440 14 P HA -0.148 nan 4.420 nan 0.000 0.259 14 P C 0.580 177.877 177.300 -0.006 0.000 1.163 14 P CA 1.383 64.486 63.100 0.005 0.000 0.760 14 P CB 0.241 31.941 31.700 -0.000 0.000 0.762 15 G N 1.910 110.704 108.800 -0.011 0.000 2.258 15 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.233 15 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.233 15 G C 0.702 175.589 174.900 -0.022 0.000 1.006 15 G CA 0.173 45.262 45.100 -0.020 0.000 0.620 15 G HN 0.809 nan 8.290 nan 0.000 0.511 16 A N -0.247 122.564 122.820 -0.016 0.000 2.238 16 A HA 0.765 5.085 4.320 -0.000 0.000 0.276 16 A C 0.964 178.529 177.584 -0.032 0.000 1.464 16 A CA 1.567 53.593 52.037 -0.019 0.000 0.835 16 A CB 0.100 19.096 19.000 -0.007 0.000 1.277 16 A HN 1.914 nan 8.150 nan 0.000 0.534 17 S N -3.512 112.166 115.700 -0.037 0.000 2.550 17 S HA 0.542 5.012 4.470 -0.000 0.000 0.270 17 S C -1.594 172.967 174.600 -0.065 0.000 1.145 17 S CA 0.075 58.239 58.200 -0.059 0.000 0.852 17 S CB 1.462 64.624 63.200 -0.064 0.000 1.119 17 S HN 1.882 nan 8.310 nan 0.000 0.465 18 V N 3.358 123.212 119.914 -0.099 0.000 2.971 18 V HA 0.782 4.902 4.120 -0.000 0.000 0.309 18 V C -1.516 174.491 176.094 -0.145 0.000 1.130 18 V CA -0.571 61.663 62.300 -0.110 0.000 0.964 18 V CB 2.001 33.745 31.823 -0.132 0.000 1.029 18 V HN 0.937 nan 8.190 nan 0.000 0.427 19 K N 4.924 125.261 120.400 -0.105 0.000 2.579 19 K HA 0.661 4.981 4.320 -0.000 0.000 0.250 19 K C -1.684 174.897 176.600 -0.032 0.000 0.952 19 K CA -0.476 55.754 56.287 -0.095 0.000 0.857 19 K CB 1.928 34.394 32.500 -0.057 0.000 1.123 19 K HN 0.592 nan 8.250 nan 0.000 0.433 20 V N 2.962 122.826 119.914 -0.082 0.000 2.567 20 V HA 0.322 4.442 4.120 -0.000 0.000 0.289 20 V C 0.258 176.441 176.094 0.148 0.000 1.049 20 V CA -0.514 61.801 62.300 0.026 0.000 0.969 20 V CB 1.463 33.297 31.823 0.018 0.000 0.995 20 V HN 0.920 nan 8.190 nan 0.000 0.471 21 S N 2.791 118.608 115.700 0.195 0.000 2.664 21 S HA 0.729 5.199 4.470 -0.000 0.000 0.304 21 S C -0.680 174.008 174.600 0.147 0.000 1.099 21 S CA -0.723 57.516 58.200 0.065 0.000 1.003 21 S CB 1.857 65.065 63.200 0.015 0.000 1.092 21 S HN 0.891 nan 8.310 nan 0.000 0.525 22 c N 1.570 120.169 118.600 -0.003 0.000 2.727 22 c HA 0.510 5.079 4.570 -0.000 0.000 0.369 22 c C -1.033 173.028 174.090 -0.048 0.000 1.067 22 c CA -0.184 56.170 56.329 0.040 0.000 1.273 22 c CB 0.550 43.094 42.510 0.057 0.000 1.778 22 c HN 1.036 nan 8.230 nan 0.000 0.467 23 Q N 3.897 123.676 119.800 -0.035 0.000 2.340 23 Q HA 0.677 5.017 4.340 -0.000 0.000 0.259 23 Q C 0.012 176.013 176.000 0.001 0.000 0.964 23 Q CA -0.164 55.599 55.803 -0.067 0.000 0.900 23 Q CB 1.521 30.222 28.738 -0.062 0.000 1.228 23 Q HN 0.938 nan 8.270 nan 0.000 0.449 24 A N 3.035 125.864 122.820 0.016 0.000 2.322 24 A HA 0.695 5.015 4.320 -0.000 0.000 0.269 24 A C -0.668 176.947 177.584 0.052 0.000 1.094 24 A CA -0.174 51.957 52.037 0.156 0.000 0.807 24 A CB 0.879 20.079 19.000 0.334 0.000 1.047 24 A HN 0.747 nan 8.150 nan 0.000 0.487 25 S N -1.006 114.795 115.700 0.168 0.000 2.550 25 S HA 0.657 5.127 4.470 -0.000 0.000 0.270 25 S C 0.461 175.195 174.600 0.223 0.000 1.145 25 S CA 0.042 58.302 58.200 0.099 0.000 0.852 25 S CB 1.589 64.830 63.200 0.068 0.000 1.119 25 S HN 2.422 nan 8.310 nan 0.000 0.465 26 G N 0.428 109.309 108.800 0.135 0.000 2.162 26 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.260 26 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.260 26 G C -0.332 174.719 174.900 0.252 0.000 0.976 26 G CA 1.197 46.393 45.100 0.159 0.000 0.655 26 G HN 1.731 nan 8.290 nan 0.000 0.533 27 Y N -2.543 117.766 120.300 0.015 0.000 2.677 27 Y HA 0.690 5.240 4.550 -0.000 0.000 0.334 27 Y C -0.162 175.814 175.900 0.126 0.000 1.196 27 Y CA -1.968 56.156 58.100 0.040 0.000 1.059 27 Y CB 0.280 38.685 38.460 -0.093 0.000 1.315 27 Y HN 0.221 nan 8.280 nan 0.000 0.455 28 R N 2.606 123.183 120.500 0.129 0.000 2.605 28 R HA 0.055 4.395 4.340 -0.000 0.000 0.271 28 R C 0.453 176.748 176.300 -0.008 0.000 1.418 28 R CA 0.008 56.143 56.100 0.058 0.000 1.102 28 R CB -1.178 29.203 30.300 0.135 0.000 1.131 28 R HN 0.961 nan 8.270 nan 0.000 0.554 29 F N 3.781 123.464 119.950 -0.445 0.000 2.076 29 F HA -0.388 4.139 4.527 -0.000 0.000 0.294 29 F C 1.634 177.438 175.800 0.006 0.000 1.078 29 F CA 2.769 60.539 58.000 -0.383 0.000 1.247 29 F CB -0.207 38.639 39.000 -0.256 0.000 0.984 29 F HN 0.569 nan 8.300 nan 0.000 0.491 30 S N -1.604 114.046 115.700 -0.083 0.000 2.701 30 S HA 0.021 4.491 4.470 -0.000 0.000 0.220 30 S C 1.203 175.770 174.600 -0.054 0.000 0.954 30 S CA 0.401 58.537 58.200 -0.107 0.000 0.936 30 S CB -0.875 62.386 63.200 0.102 0.000 0.777 30 S HN 0.670 nan 8.310 nan 0.000 0.518 31 N N -0.176 118.509 118.700 -0.026 0.000 2.236 31 N HA 0.312 5.052 4.740 -0.000 0.000 0.196 31 N C -1.266 173.903 175.510 -0.568 0.000 1.114 31 N CA -0.034 52.860 53.050 -0.259 0.000 0.859 31 N CB 0.407 38.744 38.487 -0.250 0.000 0.982 31 N HN 0.327 nan 8.380 nan 0.000 0.493 32 F N 0.134 120.015 119.950 -0.116 0.000 2.569 32 F HA 0.353 4.880 4.527 -0.000 0.000 0.312 32 F C 0.083 175.736 175.800 -0.245 0.000 1.109 32 F CA -0.956 56.953 58.000 -0.152 0.000 0.919 32 F CB 1.178 40.147 39.000 -0.051 0.000 1.211 32 F HN -0.373 nan 8.300 nan 0.000 0.446 33 V N 3.776 123.586 119.914 -0.174 0.000 2.811 33 V HA 0.124 4.244 4.120 -0.000 0.000 0.302 33 V C -0.141 175.800 176.094 -0.255 0.000 1.063 33 V CA 0.046 62.162 62.300 -0.307 0.000 1.088 33 V CB 1.143 32.571 31.823 -0.657 0.000 0.982 33 V HN 0.438 nan 8.190 nan 0.000 0.485 34 I N 3.478 123.917 120.570 -0.218 0.000 2.389 34 I HA 0.389 4.559 4.170 -0.000 0.000 0.288 34 I C -0.041 175.925 176.117 -0.252 0.000 0.999 34 I CA -0.024 61.145 61.300 -0.218 0.000 1.129 34 I CB 1.303 39.220 38.000 -0.138 0.000 1.288 34 I HN 0.602 nan 8.210 nan 0.000 0.444 35 H N 3.961 122.897 119.070 -0.224 0.000 2.508 35 H HA 0.446 5.002 4.556 -0.000 0.000 0.358 35 H C -1.330 173.798 175.328 -0.333 0.000 1.212 35 H CA 0.272 56.265 56.048 -0.092 0.000 1.356 35 H CB 0.940 30.675 29.762 -0.046 0.000 1.525 35 H HN 0.505 nan 8.280 nan 0.000 0.578 36 W N 1.598 122.997 121.300 0.165 0.000 2.647 36 W HA 0.511 5.171 4.660 -0.000 0.000 0.328 36 W C -1.458 175.119 176.519 0.097 0.000 1.018 36 W CA -0.478 56.955 57.345 0.147 0.000 1.245 36 W CB 1.379 30.994 29.460 0.258 0.000 1.356 36 W HN 0.208 nan 8.180 nan 0.000 0.443 37 V N 4.159 124.288 119.914 0.359 0.000 2.735 37 V HA 0.650 4.770 4.120 -0.000 0.000 0.310 37 V C -0.280 176.094 176.094 0.467 0.000 1.061 37 V CA -1.265 61.234 62.300 0.331 0.000 0.913 37 V CB 1.946 33.905 31.823 0.227 0.000 1.005 37 V HN 0.550 nan 8.190 nan 0.000 0.428 38 R N 2.441 123.142 120.500 0.336 0.000 2.892 38 R HA 0.843 5.183 4.340 -0.000 0.000 0.265 38 R C -0.873 175.595 176.300 0.279 0.000 1.025 38 R CA -0.887 55.305 56.100 0.155 0.000 0.982 38 R CB 1.805 31.959 30.300 -0.245 0.000 1.185 38 R HN 0.645 nan 8.270 nan 0.000 0.484 39 Q N 1.319 121.188 119.800 0.115 0.000 2.309 39 Q HA 0.503 4.843 4.340 -0.000 0.000 0.254 39 Q C -1.544 174.415 176.000 -0.068 0.000 0.938 39 Q CA -0.618 55.190 55.803 0.008 0.000 0.789 39 Q CB 2.053 30.671 28.738 -0.200 0.000 1.313 39 Q HN 0.884 nan 8.270 nan 0.000 0.438 40 A N 4.930 127.726 122.820 -0.041 0.000 2.322 40 A HA 0.608 4.928 4.320 -0.000 0.000 0.269 40 A C -2.264 175.300 177.584 -0.032 0.000 1.094 40 A CA -1.260 50.763 52.037 -0.022 0.000 0.807 40 A CB 0.027 19.041 19.000 0.024 0.000 1.047 40 A HN 0.621 nan 8.150 nan 0.000 0.487 41 P HA 0.065 nan 4.420 nan 0.000 0.261 41 P C 0.855 178.145 177.300 -0.016 0.000 1.183 41 P CA 1.731 64.820 63.100 -0.018 0.000 0.761 41 P CB 0.430 32.135 31.700 0.007 0.000 0.785 42 G N 1.832 110.611 108.800 -0.034 0.000 2.184 42 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.264 42 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.264 42 G C 0.074 174.959 174.900 -0.025 0.000 0.975 42 G CA -0.086 44.999 45.100 -0.025 0.000 0.642 42 G HN 0.617 nan 8.290 nan 0.000 0.536 43 Q N -0.341 119.435 119.800 -0.039 0.000 2.359 43 Q HA 0.556 4.895 4.340 -0.000 0.000 0.275 43 Q C 0.646 176.609 176.000 -0.062 0.000 1.082 43 Q CA -0.823 54.968 55.803 -0.021 0.000 0.849 43 Q CB 1.311 30.056 28.738 0.012 0.000 1.377 43 Q HN 0.498 nan 8.270 nan 0.000 0.452 44 R N 0.130 120.628 120.500 -0.004 0.000 2.707 44 R HA 0.290 4.630 4.340 -0.000 0.000 0.270 44 R C -0.049 176.290 176.300 0.064 0.000 1.083 44 R CA -0.265 55.844 56.100 0.015 0.000 1.182 44 R CB 0.254 30.614 30.300 0.101 0.000 1.084 44 R HN 0.385 nan 8.270 nan 0.000 0.528 45 F N 0.967 120.988 119.950 0.117 0.000 2.529 45 F HA 0.008 4.535 4.527 -0.000 0.000 0.365 45 F C 1.024 176.932 175.800 0.180 0.000 1.102 45 F CA 0.664 58.764 58.000 0.167 0.000 1.271 45 F CB 0.509 39.629 39.000 0.199 0.000 1.120 45 F HN 0.286 nan 8.300 nan 0.000 0.579 46 E N 2.908 123.344 120.200 0.392 0.000 2.165 46 E HA 0.085 4.435 4.350 -0.000 0.000 0.266 46 E C -1.414 175.337 176.600 0.252 0.000 0.889 46 E CA -0.945 55.633 56.400 0.296 0.000 0.756 46 E CB 1.072 30.928 29.700 0.260 0.000 1.131 46 E HN 0.567 nan 8.360 nan 0.000 0.411 47 W N 5.785 127.135 121.300 0.083 0.000 2.311 47 W HA 0.156 4.816 4.660 -0.000 0.000 0.310 47 W C 0.076 176.555 176.519 -0.067 0.000 1.274 47 W CA -0.025 57.340 57.345 0.032 0.000 1.215 47 W CB 0.548 30.031 29.460 0.038 0.000 1.227 47 W HN 0.683 nan 8.180 nan 0.000 0.523 48 M N 4.720 123.855 119.600 -0.775 0.000 2.545 48 M HA 0.332 4.812 4.480 -0.000 0.000 0.264 48 M C 1.034 176.730 176.300 -1.007 0.000 1.155 48 M CA 1.217 55.958 55.300 -0.931 0.000 1.162 48 M CB 0.118 32.392 32.600 -0.544 0.000 1.330 48 M HN 0.615 nan 8.290 nan 0.000 0.479 49 G N -0.329 107.636 108.800 -1.391 0.000 2.368 49 G HA2 0.179 4.139 3.960 -0.000 0.000 0.302 49 G HA3 0.179 4.139 3.960 -0.000 0.000 0.302 49 G C -2.455 172.084 174.900 -0.600 0.000 1.329 49 G CA -0.837 43.541 45.100 -1.203 0.000 0.935 49 G HN 0.390 nan 8.290 nan 0.000 0.590 50 W N -0.650 120.266 121.300 -0.641 0.000 3.062 50 W HA 0.849 5.508 4.660 -0.000 0.000 0.336 50 W C -1.077 175.048 176.519 -0.656 0.000 1.224 50 W CA -1.121 55.875 57.345 -0.582 0.000 1.159 50 W CB 1.280 30.441 29.460 -0.499 0.000 1.454 50 W HN 0.831 nan 8.180 nan 0.000 0.569 51 I N 1.312 121.938 120.570 0.093 0.000 4.300 51 I HA 0.502 4.672 4.170 -0.000 0.000 0.225 51 I C -1.848 174.420 176.117 0.252 0.000 0.969 51 I CA -1.904 59.492 61.300 0.160 0.000 1.550 51 I CB 2.359 40.441 38.000 0.137 0.000 1.257 51 I HN 0.165 nan 8.210 nan 0.000 0.395 52 P HA 0.036 nan 4.420 nan 0.000 0.427 52 P C 0.892 178.223 177.300 0.051 0.000 1.088 52 P CA 0.262 63.338 63.100 -0.039 0.000 1.694 52 P CB 0.771 32.178 31.700 -0.488 0.000 1.305 53 Y N 4.374 124.622 120.300 -0.087 0.000 2.070 53 Y HA -0.173 4.377 4.550 -0.000 0.000 0.280 53 Y C 1.571 177.467 175.900 -0.006 0.000 1.148 53 Y CA 2.744 60.811 58.100 -0.054 0.000 1.125 53 Y CB -0.937 37.468 38.460 -0.092 0.000 0.975 53 Y HN -0.004 nan 8.280 nan 0.000 0.492 54 N N -1.935 116.709 118.700 -0.093 0.000 2.177 54 N HA 0.225 4.965 4.740 -0.000 0.000 0.218 54 N C 1.238 176.739 175.510 -0.016 0.000 1.182 54 N CA 0.493 53.439 53.050 -0.172 0.000 0.882 54 N CB 0.775 39.189 38.487 -0.120 0.000 1.052 54 N HN 0.423 nan 8.380 nan 0.000 0.519 55 G N 0.868 109.698 108.800 0.050 0.000 2.189 55 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.267 55 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.267 55 G C -0.223 174.743 174.900 0.110 0.000 0.975 55 G CA 0.163 45.317 45.100 0.089 0.000 0.644 55 G HN 0.455 nan 8.290 nan 0.000 0.537 56 N N 0.730 119.508 118.700 0.130 0.000 2.416 56 N HA 0.542 5.282 4.740 -0.000 0.000 0.246 56 N C 0.346 175.918 175.510 0.103 0.000 1.260 56 N CA 0.530 53.667 53.050 0.144 0.000 0.897 56 N CB 0.452 39.070 38.487 0.219 0.000 1.110 56 N HN 0.592 nan 8.380 nan 0.000 0.439 57 K N 0.203 120.538 120.400 -0.109 0.000 2.508 57 K HA 0.457 4.777 4.320 -0.000 0.000 0.260 57 K C -1.104 174.958 176.600 -0.898 0.000 0.949 57 K CA -0.777 55.203 56.287 -0.512 0.000 0.834 57 K CB 2.477 34.785 32.500 -0.321 0.000 1.365 57 K HN 0.453 nan 8.250 nan 0.000 0.437 58 E N 1.631 120.919 120.200 -1.519 0.000 2.314 58 E HA 0.515 4.865 4.350 -0.000 0.000 0.272 58 E C -1.491 174.505 176.600 -1.007 0.000 0.884 58 E CA -0.649 55.080 56.400 -1.118 0.000 0.753 58 E CB 1.055 29.895 29.700 -1.433 0.000 1.213 58 E HN 0.328 nan 8.360 nan 0.000 0.432 59 F N 0.674 120.499 119.950 -0.208 0.000 2.618 59 F HA 0.459 4.986 4.527 -0.000 0.000 0.332 59 F C 0.358 176.068 175.800 -0.150 0.000 1.061 59 F CA -0.962 56.950 58.000 -0.146 0.000 0.974 59 F CB 1.910 40.923 39.000 0.022 0.000 1.310 59 F HN 0.257 nan 8.300 nan 0.000 0.491 60 S N 0.313 116.004 115.700 -0.015 0.000 2.480 60 S HA 0.558 5.028 4.470 -0.000 0.000 0.286 60 S C 0.922 175.674 174.600 0.253 0.000 1.180 60 S CA -0.124 58.126 58.200 0.083 0.000 1.075 60 S CB 1.201 64.378 63.200 -0.038 0.000 0.996 60 S HN 0.820 nan 8.310 nan 0.000 0.487 61 A N 5.176 128.141 122.820 0.240 0.000 2.032 61 A HA -0.155 4.165 4.320 -0.000 0.000 0.221 61 A C 1.872 179.550 177.584 0.156 0.000 1.165 61 A CA 1.903 54.044 52.037 0.174 0.000 0.645 61 A CB -0.558 18.531 19.000 0.149 0.000 0.807 61 A HN 0.955 nan 8.150 nan 0.000 0.453 62 K N -1.886 118.655 120.400 0.235 0.000 2.288 62 K HA 0.026 4.346 4.320 -0.000 0.000 0.201 62 K C 0.302 176.880 176.600 -0.036 0.000 1.048 62 K CA 1.150 57.512 56.287 0.125 0.000 0.956 62 K CB -0.099 32.532 32.500 0.218 0.000 0.746 62 K HN 0.497 nan 8.250 nan 0.000 0.461 63 F N 0.891 120.866 119.950 0.041 0.000 2.724 63 F HA 0.215 4.742 4.527 -0.000 0.000 0.310 63 F C 1.795 177.603 175.800 0.013 0.000 1.107 63 F CA -0.692 57.325 58.000 0.027 0.000 1.218 63 F CB 0.166 39.194 39.000 0.046 0.000 1.042 63 F HN -0.049 nan 8.300 nan 0.000 0.540 64 Q N 1.094 120.979 119.800 0.143 0.000 2.439 64 Q HA -0.190 4.150 4.340 -0.000 0.000 0.211 64 Q C 0.913 176.781 176.000 -0.219 0.000 0.978 64 Q CA 2.054 57.817 55.803 -0.066 0.000 0.897 64 Q CB 0.066 28.770 28.738 -0.057 0.000 0.956 64 Q HN 0.578 nan 8.270 nan 0.000 0.483 65 D N -0.997 119.331 120.400 -0.121 0.000 2.431 65 D HA -0.102 4.538 4.640 -0.000 0.000 0.235 65 D C 1.112 177.333 176.300 -0.131 0.000 0.980 65 D CA 0.393 54.309 54.000 -0.140 0.000 0.912 65 D CB -0.236 40.500 40.800 -0.106 0.000 1.056 65 D HN 0.225 nan 8.370 nan 0.000 0.494 66 R N 0.921 121.360 120.500 -0.101 0.000 2.552 66 R HA 0.386 4.726 4.340 -0.000 0.000 0.314 66 R C -0.640 175.597 176.300 -0.106 0.000 1.041 66 R CA -0.293 55.747 56.100 -0.100 0.000 1.076 66 R CB 0.294 30.538 30.300 -0.094 0.000 1.290 66 R HN 0.080 nan 8.270 nan 0.000 0.563 67 V N 0.214 120.056 119.914 -0.119 0.000 2.769 67 V HA 0.513 4.633 4.120 -0.000 0.000 0.312 67 V C -0.293 175.613 176.094 -0.313 0.000 1.061 67 V CA -0.788 61.363 62.300 -0.248 0.000 0.931 67 V CB 2.062 33.705 31.823 -0.301 0.000 1.010 67 V HN 0.130 nan 8.190 nan 0.000 0.433 68 T N 3.434 117.719 114.554 -0.448 0.000 2.949 68 T HA 0.591 4.941 4.350 -0.000 0.000 0.300 68 T C -0.904 173.567 174.700 -0.382 0.000 0.988 68 T CA -0.080 61.849 62.100 -0.285 0.000 0.993 68 T CB 0.509 69.291 68.868 -0.144 0.000 0.984 68 T HN 0.353 nan 8.240 nan 0.000 0.442 69 F N 3.097 123.081 119.950 0.056 0.000 2.405 69 F HA 0.545 5.072 4.527 -0.000 0.000 0.355 69 F C 1.285 177.154 175.800 0.116 0.000 1.121 69 F CA -0.733 57.285 58.000 0.029 0.000 1.112 69 F CB 1.253 40.248 39.000 -0.008 0.000 1.126 69 F HN 0.467 nan 8.300 nan 0.000 0.481 70 T N 0.368 115.124 114.554 0.337 0.000 2.916 70 T HA 0.941 5.291 4.350 -0.000 0.000 0.292 70 T C -0.860 174.110 174.700 0.450 0.000 1.064 70 T CA -1.020 61.264 62.100 0.307 0.000 1.011 70 T CB 2.088 71.062 68.868 0.177 0.000 1.152 70 T HN 0.827 nan 8.240 nan 0.000 0.510 71 A N 0.880 123.940 122.820 0.399 0.000 2.574 71 A HA 0.666 4.986 4.320 -0.000 0.000 0.297 71 A C -1.643 176.166 177.584 0.375 0.000 1.062 71 A CA -0.742 51.578 52.037 0.472 0.000 0.686 71 A CB 1.836 21.126 19.000 0.484 0.000 1.285 71 A HN 0.860 nan 8.150 nan 0.000 0.403 72 D N 2.077 122.680 120.400 0.338 0.000 2.461 72 D HA 0.336 4.976 4.640 -0.000 0.000 0.240 72 D C 0.931 177.288 176.300 0.095 0.000 1.094 72 D CA 0.034 54.151 54.000 0.196 0.000 0.868 72 D CB 1.349 42.261 40.800 0.186 0.000 1.062 72 D HN 0.422 nan 8.370 nan 0.000 0.530 73 T N 1.482 116.155 114.554 0.199 0.000 2.665 73 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 73 T C 1.886 176.614 174.700 0.047 0.000 1.035 73 T CA 1.444 63.686 62.100 0.237 0.000 1.151 73 T CB 0.041 69.040 68.868 0.218 0.000 0.862 73 T HN 0.341 nan 8.240 nan 0.000 0.438 74 S N 1.708 117.423 115.700 0.026 0.000 2.399 74 S HA 0.040 4.510 4.470 -0.000 0.000 0.231 74 S C 2.271 176.830 174.600 -0.068 0.000 1.022 74 S CA 0.875 59.071 58.200 -0.007 0.000 0.983 74 S CB -0.353 62.853 63.200 0.010 0.000 0.803 74 S HN 0.619 nan 8.310 nan 0.000 0.480 75 A N 1.015 123.774 122.820 -0.102 0.000 2.275 75 A HA 0.244 4.564 4.320 -0.000 0.000 0.212 75 A C 0.426 177.806 177.584 -0.340 0.000 1.201 75 A CA -0.289 51.664 52.037 -0.139 0.000 0.843 75 A CB -0.305 18.676 19.000 -0.031 0.000 0.873 75 A HN 0.341 nan 8.150 nan 0.000 0.492 76 N N 0.225 118.549 118.700 -0.627 0.000 2.708 76 N HA -0.143 4.597 4.740 -0.000 0.000 0.251 76 N C -0.066 174.709 175.510 -1.225 0.000 1.017 76 N CA 1.721 54.007 53.050 -1.274 0.000 0.742 76 N CB -1.549 36.599 38.487 -0.566 0.000 0.943 76 N HN 0.603 nan 8.380 nan 0.000 0.539 77 T N -2.162 111.798 114.554 -0.990 0.000 2.912 77 T HA 0.795 5.145 4.350 -0.000 0.000 0.299 77 T C -1.012 173.593 174.700 -0.159 0.000 1.052 77 T CA -0.097 61.722 62.100 -0.469 0.000 0.996 77 T CB 1.665 70.301 68.868 -0.387 0.000 1.070 77 T HN 0.293 nan 8.240 nan 0.000 0.465 78 A N 3.165 125.981 122.820 -0.007 0.000 2.337 78 A HA 0.881 5.201 4.320 -0.000 0.000 0.331 78 A C -1.782 175.854 177.584 0.087 0.000 1.137 78 A CA -0.613 51.597 52.037 0.289 0.000 0.807 78 A CB 0.897 20.196 19.000 0.499 0.000 1.250 78 A HN 0.813 nan 8.150 nan 0.000 0.468 79 Y N 0.374 120.931 120.300 0.428 0.000 2.512 79 Y HA 0.658 5.208 4.550 -0.000 0.000 0.348 79 Y C -0.002 175.840 175.900 -0.096 0.000 0.990 79 Y CA -0.897 57.325 58.100 0.203 0.000 1.033 79 Y CB 2.249 40.758 38.460 0.082 0.000 1.259 79 Y HN 0.584 nan 8.280 nan 0.000 0.461 80 M N 3.083 122.454 119.600 -0.382 0.000 2.197 80 M HA 0.380 4.860 4.480 -0.000 0.000 0.301 80 M C -1.583 174.429 176.300 -0.479 0.000 0.987 80 M CA -0.309 54.485 55.300 -0.844 0.000 0.921 80 M CB 1.706 33.212 32.600 -1.825 0.000 1.569 80 M HN 0.962 nan 8.290 nan 0.000 0.431 81 E N 5.088 125.036 120.200 -0.420 0.000 2.238 81 E HA 0.799 5.149 4.350 -0.000 0.000 0.267 81 E C -1.926 174.504 176.600 -0.282 0.000 0.887 81 E CA -0.602 55.628 56.400 -0.284 0.000 0.769 81 E CB 1.988 31.570 29.700 -0.196 0.000 1.187 81 E HN 0.808 nan 8.360 nan 0.000 0.416 82 L N 3.399 124.603 121.223 -0.031 0.000 2.705 82 L HA 0.430 4.769 4.340 -0.000 0.000 0.260 82 L C -0.566 176.305 176.870 0.000 0.000 0.921 82 L CA -0.659 54.175 54.840 -0.010 0.000 0.948 82 L CB 1.974 44.032 42.059 -0.002 0.000 1.427 82 L HN 0.566 nan 8.230 nan 0.000 0.432 83 R N 0.070 120.577 120.500 0.010 0.000 2.867 83 R HA 0.493 4.833 4.340 -0.000 0.000 0.227 83 R C 1.121 177.443 176.300 0.037 0.000 1.372 83 R CA -0.125 55.982 56.100 0.012 0.000 1.083 83 R CB 0.718 31.017 30.300 -0.001 0.000 1.596 83 R HN 0.679 nan 8.270 nan 0.000 0.522 84 S N -0.261 115.459 115.700 0.034 0.000 2.395 84 S HA -0.068 4.402 4.470 -0.000 0.000 0.225 84 S C 1.905 176.543 174.600 0.063 0.000 1.027 84 S CA 0.659 58.888 58.200 0.049 0.000 0.965 84 S CB -0.278 62.943 63.200 0.035 0.000 0.812 84 S HN 0.613 nan 8.310 nan 0.000 0.482 85 A N 1.640 124.491 122.820 0.051 0.000 2.216 85 A HA 0.015 4.335 4.320 -0.000 0.000 0.214 85 A C 1.430 179.071 177.584 0.094 0.000 1.160 85 A CA 1.089 53.161 52.037 0.059 0.000 0.725 85 A CB -0.451 18.571 19.000 0.036 0.000 0.784 85 A HN 0.476 nan 8.150 nan 0.000 0.472 86 D N 0.036 120.505 120.400 0.116 0.000 2.328 86 D HA 0.026 4.666 4.640 -0.000 0.000 0.226 86 D C -0.184 176.272 176.300 0.259 0.000 1.066 86 D CA 0.452 54.576 54.000 0.206 0.000 0.861 86 D CB 0.040 40.945 40.800 0.175 0.000 0.912 86 D HN 0.198 nan 8.370 nan 0.000 0.521 87 T N 1.429 116.086 114.554 0.172 0.000 2.738 87 T HA 0.522 4.872 4.350 -0.000 0.000 0.293 87 T C 0.214 174.986 174.700 0.120 0.000 0.913 87 T CA -0.205 61.995 62.100 0.166 0.000 1.103 87 T CB 1.128 70.072 68.868 0.128 0.000 0.880 87 T HN 0.114 nan 8.240 nan 0.000 0.526 88 A N 3.094 125.987 122.820 0.122 0.000 2.483 88 A HA 0.656 4.976 4.320 -0.000 0.000 0.294 88 A C -1.187 176.339 177.584 -0.097 0.000 1.077 88 A CA -0.787 51.219 52.037 -0.052 0.000 0.633 88 A CB 0.734 19.615 19.000 -0.198 0.000 1.318 88 A HN 0.512 nan 8.150 nan 0.000 0.455 89 V N 0.949 120.751 119.914 -0.187 0.000 2.432 89 V HA 0.381 4.501 4.120 -0.000 0.000 0.275 89 V C -1.161 174.681 176.094 -0.420 0.000 1.043 89 V CA 0.077 62.238 62.300 -0.231 0.000 0.925 89 V CB 0.472 32.123 31.823 -0.286 0.000 0.985 89 V HN 0.622 nan 8.190 nan 0.000 0.466 90 Y N 4.722 124.944 120.300 -0.129 0.000 2.385 90 Y HA 0.518 5.068 4.550 -0.000 0.000 0.341 90 Y C -0.124 175.810 175.900 0.057 0.000 0.965 90 Y CA -0.427 57.710 58.100 0.061 0.000 1.180 90 Y CB 0.737 39.297 38.460 0.168 0.000 1.139 90 Y HN 0.525 nan 8.280 nan 0.000 0.502 91 Y N 1.526 122.098 120.300 0.453 0.000 2.376 91 Y HA 0.455 5.005 4.550 -0.000 0.000 0.325 91 Y C 0.086 176.070 175.900 0.139 0.000 1.199 91 Y CA -1.120 57.190 58.100 0.350 0.000 1.206 91 Y CB 1.334 40.064 38.460 0.451 0.000 1.229 91 Y HN 0.561 nan 8.280 nan 0.000 0.480 92 c N 3.238 121.870 118.600 0.053 0.000 2.316 92 c HA 0.930 5.500 4.570 -0.000 0.000 0.324 92 c C -0.451 173.427 174.090 -0.354 0.000 1.226 92 c CA -0.382 55.620 56.329 -0.545 0.000 1.450 92 c CB -1.541 40.607 42.510 -0.603 0.000 2.123 92 c HN 0.868 nan 8.230 nan 0.000 0.454 93 A N 6.511 129.039 122.820 -0.487 0.000 2.374 93 A HA 0.902 5.222 4.320 -0.000 0.000 0.317 93 A C -0.702 176.661 177.584 -0.368 0.000 1.094 93 A CA -0.611 51.110 52.037 -0.528 0.000 0.765 93 A CB 1.244 19.613 19.000 -1.052 0.000 1.268 93 A HN 0.916 nan 8.150 nan 0.000 0.438 94 R N 1.520 121.825 120.500 -0.325 0.000 2.604 94 R HA 0.583 4.923 4.340 -0.000 0.000 0.287 94 R C -0.111 176.061 176.300 -0.213 0.000 0.970 94 R CA -0.210 55.735 56.100 -0.259 0.000 0.946 94 R CB 1.412 31.500 30.300 -0.353 0.000 1.127 94 R HN 0.846 nan 8.270 nan 0.000 0.473 95 V N 0.912 120.762 119.914 -0.107 0.000 3.441 95 V HA 0.563 4.683 4.120 -0.000 0.000 0.300 95 V C 0.832 176.937 176.094 0.018 0.000 1.091 95 V CA -0.188 62.088 62.300 -0.041 0.000 1.099 95 V CB 0.369 32.157 31.823 -0.058 0.000 1.138 95 V HN 0.810 nan 8.190 nan 0.000 0.471 96 G N 0.215 109.036 108.800 0.035 0.000 2.535 96 G HA2 0.611 4.571 3.960 -0.000 0.000 0.303 96 G HA3 0.611 4.571 3.960 -0.000 0.000 0.303 96 G C -2.533 172.519 174.900 0.253 0.000 1.237 96 G CA -1.399 43.745 45.100 0.073 0.000 0.986 96 G HN 0.845 nan 8.290 nan 0.000 0.494 97 P HA 0.085 nan 4.420 nan 0.000 0.271 97 P C -1.566 175.799 177.300 0.109 0.000 1.218 97 P CA -0.007 63.237 63.100 0.241 0.000 0.780 97 P CB 0.841 32.641 31.700 0.166 0.000 0.901 98 Y N 1.588 121.808 120.300 -0.133 0.000 2.352 98 Y HA 0.331 4.881 4.550 -0.000 0.000 0.339 98 Y C 0.952 176.778 175.900 -0.122 0.000 0.992 98 Y CA -0.021 57.989 58.100 -0.149 0.000 1.100 98 Y CB 1.614 39.939 38.460 -0.224 0.000 1.192 98 Y HN 0.439 nan 8.280 nan 0.000 0.458 99 S N 2.777 118.118 115.700 -0.597 0.000 2.628 99 S HA 0.144 4.614 4.470 -0.000 0.000 0.246 99 S C 0.057 174.277 174.600 -0.634 0.000 1.062 99 S CA -0.312 57.604 58.200 -0.473 0.000 1.028 99 S CB -0.051 63.000 63.200 -0.248 0.000 0.985 99 S HN 0.545 nan 8.310 nan 0.000 0.551 100 M N 3.842 123.264 119.600 -0.297 0.000 2.842 100 M HA 0.221 4.701 4.480 -0.000 0.000 0.314 100 M C 0.911 177.094 176.300 -0.194 0.000 1.646 100 M CA 0.008 55.051 55.300 -0.427 0.000 1.484 100 M CB -0.151 31.920 32.600 -0.882 0.000 1.727 100 M HN 0.184 nan 8.290 nan 0.000 0.468 101 D N 1.820 122.114 120.400 -0.177 0.000 2.103 101 D HA 0.002 4.642 4.640 -0.000 0.000 0.199 101 D C -0.298 175.965 176.300 -0.062 0.000 0.978 101 D CA 1.007 54.945 54.000 -0.103 0.000 0.829 101 D CB 0.630 41.345 40.800 -0.141 0.000 0.981 101 D HN 0.331 nan 8.370 nan 0.000 0.464 102 V N 0.641 120.471 119.914 -0.140 0.000 2.577 102 V HA 0.362 4.482 4.120 -0.000 0.000 0.303 102 V C -1.047 175.025 176.094 -0.038 0.000 1.042 102 V CA -0.884 61.381 62.300 -0.058 0.000 0.872 102 V CB 1.703 33.414 31.823 -0.187 0.000 0.998 102 V HN 0.087 nan 8.190 nan 0.000 0.423 103 W N 2.060 123.276 121.300 -0.141 0.000 2.576 103 W HA 0.784 5.444 4.660 -0.000 0.000 0.360 103 W C 0.686 177.183 176.519 -0.036 0.000 1.109 103 W CA -0.420 56.860 57.345 -0.108 0.000 1.237 103 W CB 1.363 30.725 29.460 -0.163 0.000 1.369 103 W HN 0.725 nan 8.180 nan 0.000 0.609 104 G N 0.431 109.423 108.800 0.321 0.000 2.488 104 G HA2 0.288 4.248 3.960 -0.000 0.000 0.318 104 G HA3 0.288 4.248 3.960 -0.000 0.000 0.318 104 G C 0.149 175.256 174.900 0.345 0.000 1.188 104 G CA -0.684 44.564 45.100 0.247 0.000 0.944 104 G HN 0.515 nan 8.290 nan 0.000 0.495 105 K N -0.399 120.146 120.400 0.241 0.000 2.362 105 K HA 0.188 4.508 4.320 -0.000 0.000 0.200 105 K C 1.190 177.970 176.600 0.299 0.000 1.046 105 K CA 0.860 57.290 56.287 0.240 0.000 0.952 105 K CB -0.123 32.460 32.500 0.137 0.000 0.753 105 K HN 1.016 nan 8.250 nan 0.000 0.466 106 G N 1.366 110.315 108.800 0.248 0.000 2.767 106 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 106 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 106 G C -0.321 174.567 174.900 -0.018 0.000 1.213 106 G CA -0.294 44.778 45.100 -0.045 0.000 0.803 106 G HN 0.163 nan 8.290 nan 0.000 0.603 107 T N -0.840 113.728 114.554 0.023 0.000 2.771 107 T HA 0.686 5.036 4.350 -0.000 0.000 0.281 107 T C 0.434 175.187 174.700 0.089 0.000 0.982 107 T CA 0.462 62.611 62.100 0.080 0.000 0.978 107 T CB 1.883 70.834 68.868 0.138 0.000 0.930 107 T HN 1.714 nan 8.240 nan 0.000 0.447 108 T N 3.269 117.861 114.554 0.064 0.000 2.780 108 T HA 0.496 4.846 4.350 -0.000 0.000 0.294 108 T C -0.580 174.194 174.700 0.124 0.000 0.949 108 T CA -0.469 61.678 62.100 0.078 0.000 1.074 108 T CB 0.082 68.967 68.868 0.028 0.000 0.910 108 T HN 0.611 nan 8.240 nan 0.000 0.501 109 V N 7.215 127.251 119.914 0.203 0.000 2.378 109 V HA 0.470 4.590 4.120 -0.000 0.000 0.288 109 V C -0.381 175.813 176.094 0.165 0.000 1.016 109 V CA -0.843 61.563 62.300 0.178 0.000 0.840 109 V CB 1.202 33.135 31.823 0.183 0.000 0.994 109 V HN 0.814 nan 8.190 nan 0.000 0.431 110 I N 5.707 126.347 120.570 0.116 0.000 2.336 110 I HA 0.430 4.600 4.170 -0.000 0.000 0.292 110 I C -0.092 176.108 176.117 0.138 0.000 0.991 110 I CA -0.216 61.157 61.300 0.121 0.000 1.227 110 I CB 1.740 39.790 38.000 0.084 0.000 1.366 110 I HN 0.269 nan 8.210 nan 0.000 0.466 111 V N 5.919 125.919 119.914 0.144 0.000 2.350 111 V HA 0.769 4.889 4.120 -0.000 0.000 0.285 111 V C -0.115 176.059 176.094 0.133 0.000 1.014 111 V CA -0.238 62.138 62.300 0.126 0.000 0.831 111 V CB 1.014 32.896 31.823 0.099 0.000 1.000 111 V HN 0.907 nan 8.190 nan 0.000 0.433 112 S N 2.481 118.270 115.700 0.148 0.000 2.643 112 S HA 0.462 4.932 4.470 -0.000 0.000 0.270 112 S C 0.621 175.246 174.600 0.042 0.000 1.166 112 S CA 0.093 58.362 58.200 0.114 0.000 0.815 112 S CB 1.797 65.120 63.200 0.205 0.000 1.139 112 S HN 0.762 nan 8.310 nan 0.000 0.472 113 S N 0.586 116.266 115.700 -0.032 0.000 2.470 113 S HA 0.449 4.919 4.470 -0.000 0.000 0.222 113 S C 1.180 175.678 174.600 -0.170 0.000 1.024 113 S CA 0.257 58.412 58.200 -0.076 0.000 0.931 113 S CB -0.853 62.306 63.200 -0.068 0.000 0.791 113 S HN 1.385 nan 8.310 nan 0.000 0.513 114 A N 2.198 124.831 122.820 -0.312 0.000 2.433 114 A HA 0.574 4.894 4.320 -0.000 0.000 0.250 114 A C 0.629 177.819 177.584 -0.657 0.000 1.113 114 A CA 0.157 51.851 52.037 -0.570 0.000 0.794 114 A CB -0.067 18.382 19.000 -0.918 0.000 1.067 114 A HN 0.831 nan 8.150 nan 0.000 0.510 115 S N -1.515 113.814 115.700 -0.619 0.000 2.667 115 S HA 0.617 5.087 4.470 -0.000 0.000 0.292 115 S C -0.317 174.189 174.600 -0.156 0.000 1.126 115 S CA -0.468 57.547 58.200 -0.308 0.000 0.881 115 S CB 0.771 63.890 63.200 -0.134 0.000 1.132 115 S HN 0.804 nan 8.310 nan 0.000 0.492 116 T N 2.151 116.773 114.554 0.113 0.000 2.800 116 T HA 0.174 4.524 4.350 -0.000 0.000 0.283 116 T C -0.070 174.710 174.700 0.133 0.000 0.999 116 T CA 0.548 62.782 62.100 0.224 0.000 1.176 116 T CB -0.491 68.449 68.868 0.119 0.000 0.973 116 T HN 0.677 nan 8.240 nan 0.000 0.519 117 K N 1.730 122.267 120.400 0.228 0.000 2.477 117 K HA 0.622 4.942 4.320 -0.000 0.000 0.255 117 K C 0.035 176.778 176.600 0.239 0.000 0.952 117 K CA -0.890 55.502 56.287 0.174 0.000 0.826 117 K CB 1.854 34.449 32.500 0.158 0.000 1.331 117 K HN 0.653 nan 8.250 nan 0.000 0.437 118 G N 2.340 111.233 108.800 0.156 0.000 2.476 118 G HA2 0.434 4.394 3.960 -0.000 0.000 0.286 118 G HA3 0.434 4.394 3.960 -0.000 0.000 0.286 118 G C -2.516 172.523 174.900 0.232 0.000 1.177 118 G CA -1.256 43.955 45.100 0.186 0.000 0.870 118 G HN 0.465 nan 8.290 nan 0.000 0.528 119 P HA 0.282 nan 4.420 nan 0.000 0.284 119 P C -0.639 176.627 177.300 -0.056 0.000 1.258 119 P CA -0.469 62.688 63.100 0.096 0.000 0.824 119 P CB 1.731 33.404 31.700 -0.045 0.000 1.038 120 S N 0.985 116.564 115.700 -0.202 0.000 2.474 120 S HA 0.239 4.709 4.470 -0.000 0.000 0.320 120 S C 0.139 174.249 174.600 -0.817 0.000 1.067 120 S CA -0.603 57.279 58.200 -0.531 0.000 1.127 120 S CB 0.070 62.827 63.200 -0.740 0.000 0.971 120 S HN 0.178 nan 8.310 nan 0.000 0.472 121 V N 5.483 125.135 119.914 -0.437 0.000 2.397 121 V HA 0.243 4.363 4.120 -0.000 0.000 0.262 121 V C -0.445 175.642 176.094 -0.011 0.000 1.047 121 V CA 0.257 62.413 62.300 -0.239 0.000 1.003 121 V CB -0.870 30.899 31.823 -0.090 0.000 1.037 121 V HN 0.774 nan 8.190 nan 0.000 0.480 122 F N 6.998 126.966 119.950 0.031 0.000 2.430 122 F HA 0.391 4.918 4.527 -0.000 0.000 0.362 122 F C -1.751 174.077 175.800 0.046 0.000 1.103 122 F CA -2.448 55.574 58.000 0.036 0.000 1.045 122 F CB 1.991 41.015 39.000 0.039 0.000 1.276 122 F HN 0.367 nan 8.300 nan 0.000 0.444 123 P HA -0.031 nan 4.420 nan 0.000 0.270 123 P C -0.604 176.794 177.300 0.164 0.000 1.221 123 P CA 0.035 63.240 63.100 0.176 0.000 0.788 123 P CB 1.486 33.278 31.700 0.153 0.000 0.904 124 L N 0.573 121.895 121.223 0.165 0.000 2.502 124 L HA 0.407 4.747 4.340 -0.000 0.000 0.247 124 L C 0.837 177.779 176.870 0.119 0.000 1.180 124 L CA -0.837 54.080 54.840 0.128 0.000 0.956 124 L CB 0.571 42.704 42.059 0.123 0.000 1.282 124 L HN 0.361 nan 8.230 nan 0.000 0.470 125 A N 2.312 125.194 122.820 0.102 0.000 2.507 125 A HA 0.471 4.791 4.320 -0.000 0.000 0.235 125 A C -2.101 175.524 177.584 0.068 0.000 1.070 125 A CA -0.599 51.493 52.037 0.091 0.000 0.768 125 A CB -0.355 18.688 19.000 0.071 0.000 1.011 125 A HN 0.334 nan 8.150 nan 0.000 0.502 126 P HA 0.246 nan 4.420 nan 0.000 0.271 126 P C -0.073 177.246 177.300 0.032 0.000 1.233 126 P CA 0.024 63.152 63.100 0.046 0.000 0.789 126 P CB 0.701 32.431 31.700 0.049 0.000 0.951 138 A N 1.584 124.395 122.820 -0.015 0.000 2.337 138 A HA 0.961 5.281 4.320 -0.000 0.000 0.329 138 A C -0.199 177.371 177.584 -0.024 0.000 1.146 138 A CA -0.550 51.480 52.037 -0.011 0.000 0.800 138 A CB 1.130 20.133 19.000 0.006 0.000 1.220 138 A HN 1.250 nan 8.150 nan 0.000 0.472 139 A N 1.527 124.328 122.820 -0.032 0.000 2.330 139 A HA 0.733 5.053 4.320 -0.000 0.000 0.327 139 A C -0.686 176.877 177.584 -0.034 0.000 1.155 139 A CA -0.478 51.521 52.037 -0.063 0.000 0.803 139 A CB 0.429 19.383 19.000 -0.077 0.000 1.208 139 A HN 1.745 nan 8.150 nan 0.000 0.477 140 L N 0.274 121.460 121.223 -0.061 0.000 2.401 140 L HA 1.040 5.380 4.340 -0.000 0.000 0.266 140 L C 0.075 176.933 176.870 -0.020 0.000 0.991 140 L CA -0.236 54.612 54.840 0.013 0.000 0.818 140 L CB 1.613 43.732 42.059 0.100 0.000 1.321 140 L HN 0.902 nan 8.230 nan 0.000 0.413 141 G N -0.051 108.841 108.800 0.153 0.000 2.782 141 G HA2 0.676 4.636 3.960 -0.000 0.000 0.304 141 G HA3 0.676 4.636 3.960 -0.000 0.000 0.304 141 G C -1.634 173.547 174.900 0.469 0.000 1.315 141 G CA -0.605 44.724 45.100 0.381 0.000 0.791 141 G HN 0.827 nan 8.290 nan 0.000 0.519 142 c N -1.179 117.697 118.600 0.459 0.000 2.771 142 c HA 0.856 5.426 4.570 -0.000 0.000 0.333 142 c C -0.861 173.317 174.090 0.146 0.000 1.267 142 c CA -0.469 55.982 56.329 0.203 0.000 1.721 142 c CB 1.392 43.895 42.510 -0.012 0.000 2.222 142 c HN 0.743 nan 8.230 nan 0.000 0.485 143 L N 1.854 123.133 121.223 0.093 0.000 2.406 143 L HA 0.688 5.028 4.340 -0.000 0.000 0.272 143 L C -1.001 175.856 176.870 -0.022 0.000 0.980 143 L CA 0.018 54.900 54.840 0.070 0.000 0.831 143 L CB 1.533 43.664 42.059 0.120 0.000 1.253 143 L HN 0.479 nan 8.230 nan 0.000 0.406 144 V N 5.444 125.350 119.914 -0.014 0.000 2.288 144 V HA 0.436 4.556 4.120 -0.000 0.000 0.266 144 V C 0.222 176.353 176.094 0.061 0.000 1.048 144 V CA -0.554 61.713 62.300 -0.055 0.000 0.842 144 V CB 0.703 32.465 31.823 -0.102 0.000 1.064 144 V HN 0.749 nan 8.190 nan 0.000 0.472 145 K N 2.457 122.826 120.400 -0.052 0.000 2.123 145 K HA 0.417 4.737 4.320 -0.000 0.000 0.248 145 K C -0.486 176.159 176.600 0.074 0.000 0.969 145 K CA -0.679 55.620 56.287 0.020 0.000 0.882 145 K CB 0.878 33.354 32.500 -0.040 0.000 1.080 145 K HN 0.661 nan 8.250 nan 0.000 0.441 146 D N 1.739 122.183 120.400 0.072 0.000 3.284 146 D HA -0.247 4.393 4.640 -0.000 0.000 0.205 146 D C -1.312 175.085 176.300 0.161 0.000 1.175 146 D CA 1.489 55.522 54.000 0.055 0.000 0.970 146 D CB -1.007 39.820 40.800 0.045 0.000 0.803 146 D HN 0.449 nan 8.370 nan 0.000 0.386 147 Y N -0.368 120.000 120.300 0.114 0.000 2.638 147 Y HA 0.831 5.381 4.550 -0.000 0.000 0.339 147 Y C -1.127 174.981 175.900 0.347 0.000 1.084 147 Y CA -1.839 56.375 58.100 0.191 0.000 1.068 147 Y CB 1.596 40.084 38.460 0.047 0.000 1.294 147 Y HN 0.116 nan 8.280 nan 0.000 0.480 148 F N 2.331 122.574 119.950 0.489 0.000 2.686 148 F HA 0.558 5.085 4.527 -0.000 0.000 0.315 148 F C -3.241 172.855 175.800 0.495 0.000 1.088 148 F CA -1.476 56.740 58.000 0.359 0.000 1.034 148 F CB 2.233 41.289 39.000 0.093 0.000 1.280 148 F HN 0.481 nan 8.300 nan 0.000 0.463 149 P HA 0.318 nan 4.420 nan 0.000 0.292 149 P C -1.183 176.164 177.300 0.077 0.000 1.304 149 P CA -0.355 62.498 63.100 -0.411 0.000 0.848 149 P CB 1.797 33.101 31.700 -0.661 0.000 1.260 150 E N 0.398 120.565 120.200 -0.056 0.000 2.409 150 E HA 0.148 4.498 4.350 -0.000 0.000 0.257 150 E C -1.639 174.945 176.600 -0.027 0.000 1.150 150 E CA -1.005 55.364 56.400 -0.051 0.000 0.942 150 E CB -0.234 29.289 29.700 -0.294 0.000 0.979 150 E HN 0.455 nan 8.360 nan 0.000 0.447 151 P HA 0.314 nan 4.420 nan 0.000 0.304 151 P C -1.043 176.144 177.300 -0.188 0.000 1.310 151 P CA -0.473 62.575 63.100 -0.088 0.000 0.796 151 P CB 1.048 32.706 31.700 -0.070 0.000 1.297 152 V N -0.492 119.271 119.914 -0.252 0.000 2.686 152 V HA 0.297 4.417 4.120 -0.000 0.000 0.306 152 V C -0.290 175.679 176.094 -0.208 0.000 1.065 152 V CA -0.317 61.762 62.300 -0.369 0.000 0.894 152 V CB 2.053 33.434 31.823 -0.735 0.000 1.004 152 V HN 0.537 nan 8.190 nan 0.000 0.424 153 T N 4.865 119.324 114.554 -0.158 0.000 2.770 153 T HA 0.557 4.907 4.350 -0.000 0.000 0.297 153 T C -0.069 174.554 174.700 -0.127 0.000 0.997 153 T CA -0.246 61.789 62.100 -0.108 0.000 0.949 153 T CB 1.079 69.905 68.868 -0.070 0.000 0.941 153 T HN 0.682 nan 8.240 nan 0.000 0.457 163 S N 0.088 115.822 115.700 0.057 0.000 3.706 163 S HA -0.137 4.333 4.470 -0.000 0.000 0.363 163 S C 1.230 175.857 174.600 0.045 0.000 0.999 163 S CA 1.485 59.704 58.200 0.032 0.000 1.143 163 S CB -1.481 61.736 63.200 0.028 0.000 0.902 163 S HN 1.079 nan 8.310 nan 0.000 0.476 164 G N -0.673 108.165 108.800 0.064 0.000 2.159 164 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.256 164 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.256 164 G C 0.909 175.851 174.900 0.070 0.000 0.977 164 G CA 0.996 46.135 45.100 0.066 0.000 0.652 164 G HN 1.650 nan 8.290 nan 0.000 0.531 165 A N -0.770 122.100 122.820 0.083 0.000 1.854 165 A HA 0.511 4.831 4.320 -0.000 0.000 0.214 165 A C 1.346 178.970 177.584 0.066 0.000 1.192 165 A CA 1.673 53.754 52.037 0.074 0.000 0.611 165 A CB -0.054 18.999 19.000 0.088 0.000 0.832 165 A HN 1.363 nan 8.150 nan 0.000 0.442 166 L N 1.081 122.356 121.223 0.086 0.000 2.260 166 L HA 0.421 4.761 4.340 -0.000 0.000 0.289 166 L C 1.023 177.907 176.870 0.023 0.000 1.057 166 L CA 1.051 55.903 54.840 0.020 0.000 0.811 166 L CB 1.072 43.098 42.059 -0.056 0.000 1.184 166 L HN 0.456 nan 8.230 nan 0.000 0.429 167 T N -0.616 113.929 114.554 -0.015 0.000 3.221 167 T HA 0.186 4.536 4.350 -0.000 0.000 0.250 167 T C 0.698 175.368 174.700 -0.051 0.000 0.988 167 T CA 0.244 62.341 62.100 -0.005 0.000 1.163 167 T CB -0.361 68.514 68.868 0.012 0.000 1.098 167 T HN 0.444 nan 8.240 nan 0.000 0.422 168 S N 1.889 117.554 115.700 -0.058 0.000 2.596 168 S HA 0.493 4.963 4.470 -0.000 0.000 0.298 168 S C 0.853 175.371 174.600 -0.136 0.000 1.255 168 S CA 0.519 58.675 58.200 -0.073 0.000 1.083 168 S CB -0.617 62.547 63.200 -0.059 0.000 0.837 168 S HN 1.272 nan 8.310 nan 0.000 0.499 172 H N 2.068 121.126 119.070 -0.020 0.000 2.791 172 H HA 0.353 4.908 4.556 -0.000 0.000 0.272 172 H C -0.487 174.887 175.328 0.077 0.000 1.188 172 H CA -0.537 55.487 56.048 -0.040 0.000 1.436 172 H CB 1.584 31.309 29.762 -0.061 0.000 1.467 172 H HN 0.600 nan 8.280 nan 0.000 0.500 173 T N 4.536 119.174 114.554 0.140 0.000 2.738 173 T HA 0.091 4.441 4.350 -0.000 0.000 0.294 173 T C 0.239 174.975 174.700 0.060 0.000 0.914 173 T CA -0.156 62.048 62.100 0.172 0.000 1.052 173 T CB -0.267 68.668 68.868 0.113 0.000 0.897 173 T HN 0.241 nan 8.240 nan 0.000 0.522 174 F N 5.441 125.430 119.950 0.066 0.000 2.418 174 F HA 0.287 4.814 4.527 -0.000 0.000 0.341 174 F C -1.129 174.682 175.800 0.019 0.000 1.120 174 F CA -2.050 55.969 58.000 0.033 0.000 1.232 174 F CB 0.418 39.449 39.000 0.052 0.000 1.175 174 F HN 0.366 nan 8.300 nan 0.000 0.569 175 P HA 0.130 nan 4.420 nan 0.000 0.269 175 P C -0.851 176.516 177.300 0.111 0.000 1.209 175 P CA -0.324 62.821 63.100 0.074 0.000 0.776 175 P CB 0.696 32.415 31.700 0.031 0.000 0.876 176 A N 2.531 125.384 122.820 0.055 0.000 2.327 176 A HA 0.499 4.819 4.320 -0.000 0.000 0.255 176 A C 0.255 177.879 177.584 0.067 0.000 1.099 176 A CA -0.236 51.841 52.037 0.066 0.000 0.801 176 A CB 0.104 19.102 19.000 -0.003 0.000 1.062 176 A HN 0.500 nan 8.150 nan 0.000 0.496 177 V N -1.271 118.712 119.914 0.115 0.000 2.876 177 V HA 0.704 4.824 4.120 -0.000 0.000 0.312 177 V C -0.717 175.502 176.094 0.207 0.000 1.085 177 V CA -0.965 61.412 62.300 0.128 0.000 0.945 177 V CB 1.439 33.313 31.823 0.085 0.000 1.017 177 V HN 0.906 nan 8.190 nan 0.000 0.428 178 L N 3.621 124.959 121.223 0.193 0.000 2.255 178 L HA 0.526 4.866 4.340 -0.000 0.000 0.289 178 L C 0.291 177.158 176.870 -0.005 0.000 1.046 178 L CA 0.332 55.230 54.840 0.097 0.000 0.816 178 L CB 0.884 43.006 42.059 0.105 0.000 1.197 178 L HN 0.885 nan 8.230 nan 0.000 0.427 179 Q N 2.654 122.418 119.800 -0.060 0.000 2.327 179 Q HA 0.358 4.698 4.340 -0.000 0.000 0.254 179 Q C 0.627 176.590 176.000 -0.061 0.000 0.952 179 Q CA -0.233 55.544 55.803 -0.044 0.000 0.884 179 Q CB 0.888 29.600 28.738 -0.044 0.000 1.224 179 Q HN 0.857 nan 8.270 nan 0.000 0.422 183 G N 1.397 110.117 108.800 -0.133 0.000 2.141 183 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.231 183 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.231 183 G C -0.242 174.533 174.900 -0.209 0.000 0.984 183 G CA 0.233 45.231 45.100 -0.170 0.000 0.660 183 G HN 0.739 nan 8.290 nan 0.000 0.525 184 L N -0.578 120.510 121.223 -0.226 0.000 2.319 184 L HA 0.723 5.063 4.340 -0.000 0.000 0.267 184 L C 0.132 176.758 176.870 -0.405 0.000 1.011 184 L CA -1.592 53.103 54.840 -0.241 0.000 0.818 184 L CB 1.421 43.415 42.059 -0.109 0.000 1.316 184 L HN 0.100 nan 8.230 nan 0.000 0.432 185 Y N -0.133 119.942 120.300 -0.375 0.000 2.419 185 Y HA 0.433 4.983 4.550 -0.000 0.000 0.328 185 Y C 0.382 175.981 175.900 -0.502 0.000 1.162 185 Y CA -0.408 57.370 58.100 -0.537 0.000 1.174 185 Y CB 2.006 39.949 38.460 -0.861 0.000 1.228 185 Y HN 0.407 nan 8.280 nan 0.000 0.473 186 S N 3.742 119.440 115.700 -0.002 0.000 2.789 186 S HA 0.544 5.014 4.470 -0.000 0.000 0.286 186 S C -1.495 173.206 174.600 0.169 0.000 1.153 186 S CA -0.708 57.556 58.200 0.107 0.000 1.084 186 S CB -0.079 63.161 63.200 0.066 0.000 1.036 186 S HN 0.576 nan 8.310 nan 0.000 0.484 187 L N 3.671 125.056 121.223 0.270 0.000 2.330 187 L HA 1.014 5.354 4.340 -0.000 0.000 0.271 187 L C -0.628 176.329 176.870 0.146 0.000 1.013 187 L CA -0.241 54.722 54.840 0.205 0.000 0.816 187 L CB 2.232 44.425 42.059 0.224 0.000 1.287 187 L HN 0.508 nan 8.230 nan 0.000 0.435 188 S N 1.017 116.800 115.700 0.138 0.000 2.733 188 S HA 0.650 5.120 4.470 -0.000 0.000 0.294 188 S C -0.559 174.176 174.600 0.225 0.000 1.149 188 S CA -0.544 57.724 58.200 0.113 0.000 1.034 188 S CB 1.093 64.296 63.200 0.007 0.000 1.015 188 S HN 0.925 nan 8.310 nan 0.000 0.486 189 S N 2.422 118.287 115.700 0.274 0.000 2.489 189 S HA 0.791 5.261 4.470 -0.000 0.000 0.291 189 S C 0.023 174.897 174.600 0.457 0.000 1.151 189 S CA -0.372 58.081 58.200 0.421 0.000 1.082 189 S CB 0.582 64.031 63.200 0.414 0.000 1.019 189 S HN 1.487 nan 8.310 nan 0.000 0.492 190 V N 2.218 122.362 119.914 0.383 0.000 3.164 190 V HA 0.988 5.108 4.120 -0.000 0.000 0.313 190 V C -0.682 175.325 176.094 -0.144 0.000 1.188 190 V CA -0.694 61.695 62.300 0.148 0.000 1.058 190 V CB 1.574 33.474 31.823 0.129 0.000 1.110 190 V HN 0.913 nan 8.190 nan 0.000 0.453 191 V N 1.569 121.270 119.914 -0.356 0.000 2.795 191 V HA 0.451 4.571 4.120 -0.000 0.000 0.272 191 V C -0.132 175.718 176.094 -0.407 0.000 1.130 191 V CA 0.502 62.488 62.300 -0.524 0.000 0.931 191 V CB 1.555 32.785 31.823 -0.988 0.000 1.062 191 V HN 1.584 nan 8.190 nan 0.000 0.476 192 T N 4.091 118.461 114.554 -0.307 0.000 2.853 192 T HA 0.604 4.954 4.350 -0.000 0.000 0.298 192 T C -0.218 174.354 174.700 -0.213 0.000 0.978 192 T CA -0.197 61.776 62.100 -0.212 0.000 1.152 192 T CB 1.018 69.782 68.868 -0.173 0.000 0.914 192 T HN 0.801 nan 8.240 nan 0.000 0.539 193 V N 5.608 125.430 119.914 -0.154 0.000 2.823 193 V HA 0.498 4.618 4.120 -0.000 0.000 0.312 193 V C -2.220 173.859 176.094 -0.025 0.000 1.072 193 V CA -2.530 59.705 62.300 -0.108 0.000 0.937 193 V CB 2.137 33.898 31.823 -0.105 0.000 1.013 193 V HN 0.810 nan 8.190 nan 0.000 0.430 194 P HA 0.011 nan 4.420 nan 0.000 0.260 194 P C 0.844 178.159 177.300 0.025 0.000 1.185 194 P CA 0.327 63.429 63.100 0.004 0.000 0.763 194 P CB 0.681 32.384 31.700 0.006 0.000 0.776 195 S N 1.651 117.358 115.700 0.011 0.000 2.528 195 S HA -0.134 4.336 4.470 -0.000 0.000 0.244 195 S C 1.519 176.125 174.600 0.010 0.000 0.982 195 S CA 0.972 59.181 58.200 0.014 0.000 0.953 195 S CB -0.954 62.248 63.200 0.004 0.000 0.754 195 S HN 0.440 nan 8.310 nan 0.000 0.529 196 S N 1.177 116.882 115.700 0.008 0.000 2.522 196 S HA 0.127 4.597 4.470 -0.000 0.000 0.227 196 S C 1.295 175.894 174.600 -0.001 0.000 0.986 196 S CA 0.524 58.725 58.200 0.001 0.000 0.929 196 S CB -0.103 63.097 63.200 -0.001 0.000 0.769 196 S HN 0.582 nan 8.310 nan 0.000 0.529 197 S N 0.908 116.614 115.700 0.010 0.000 2.602 197 S HA 0.356 4.826 4.470 -0.000 0.000 0.240 197 S C 1.225 175.786 174.600 -0.065 0.000 0.992 197 S CA -0.286 57.905 58.200 -0.015 0.000 0.971 197 S CB 0.026 63.243 63.200 0.029 0.000 0.855 197 S HN 0.339 nan 8.310 nan 0.000 0.481 198 L N 0.777 121.982 121.223 -0.030 0.000 2.127 198 L HA -0.080 4.260 4.340 -0.000 0.000 0.211 198 L C 2.205 179.028 176.870 -0.078 0.000 1.089 198 L CA 1.478 56.295 54.840 -0.039 0.000 0.757 198 L CB -0.279 41.776 42.059 -0.006 0.000 0.899 198 L HN 0.495 nan 8.230 nan 0.000 0.434 199 G N -1.837 106.921 108.800 -0.070 0.000 3.228 199 G HA2 0.096 4.056 3.960 -0.000 0.000 0.245 199 G HA3 0.096 4.056 3.960 -0.000 0.000 0.245 199 G C 0.537 175.390 174.900 -0.078 0.000 1.051 199 G CA 0.553 45.612 45.100 -0.068 0.000 0.809 199 G HN 0.321 nan 8.290 nan 0.000 0.531 206 Y N 3.126 123.493 120.300 0.113 0.000 2.341 206 Y HA 0.770 5.320 4.550 -0.000 0.000 0.338 206 Y C 0.222 176.252 175.900 0.217 0.000 0.965 206 Y CA -1.272 56.948 58.100 0.200 0.000 1.108 206 Y CB 1.434 40.022 38.460 0.213 0.000 1.180 206 Y HN 0.469 nan 8.280 nan 0.000 0.458 207 I N 3.407 124.206 120.570 0.382 0.000 2.722 207 I HA 0.316 4.485 4.170 -0.000 0.000 0.295 207 I C -0.753 175.300 176.117 -0.107 0.000 1.161 207 I CA -0.861 60.519 61.300 0.133 0.000 1.032 207 I CB 1.996 40.038 38.000 0.071 0.000 1.244 207 I HN 0.619 nan 8.210 nan 0.000 0.421 208 c N 1.862 120.202 118.600 -0.434 0.000 2.365 208 c HA 0.526 5.096 4.570 -0.000 0.000 0.351 208 c C 0.087 173.922 174.090 -0.425 0.000 1.240 208 c CA -0.738 55.082 56.329 -0.848 0.000 2.062 208 c CB 0.023 41.847 42.510 -1.144 0.000 2.387 208 c HN 0.826 nan 8.230 nan 0.000 0.537 209 N N 1.418 119.887 118.700 -0.385 0.000 3.091 209 N HA 0.368 5.108 4.740 -0.000 0.000 0.255 209 N C -0.810 174.578 175.510 -0.204 0.000 1.204 209 N CA -0.416 52.505 53.050 -0.215 0.000 0.990 209 N CB 1.015 39.418 38.487 -0.141 0.000 1.260 209 N HN 0.580 nan 8.380 nan 0.000 0.502 210 V N 1.668 121.460 119.914 -0.204 0.000 2.508 210 V HA 0.136 4.256 4.120 -0.000 0.000 0.281 210 V C 0.371 176.391 176.094 -0.124 0.000 1.041 210 V CA -0.283 61.908 62.300 -0.182 0.000 1.016 210 V CB 0.688 32.395 31.823 -0.193 0.000 0.984 210 V HN 0.615 nan 8.190 nan 0.000 0.478 211 N N 3.034 121.666 118.700 -0.113 0.000 2.238 211 N HA 0.341 5.081 4.740 -0.000 0.000 0.302 211 N C -1.146 174.349 175.510 -0.025 0.000 1.072 211 N CA -0.531 52.486 53.050 -0.056 0.000 0.792 211 N CB 1.967 40.427 38.487 -0.046 0.000 1.425 211 N HN 0.915 nan 8.380 nan 0.000 0.478 212 H N 2.965 121.972 119.070 -0.105 0.000 2.380 212 H HA 0.241 4.797 4.556 -0.000 0.000 0.231 212 H C 0.481 175.784 175.328 -0.040 0.000 1.415 212 H CA -0.347 55.643 56.048 -0.097 0.000 1.433 212 H CB 0.580 30.281 29.762 -0.101 0.000 1.544 212 H HN 0.550 nan 8.280 nan 0.000 0.503 213 K N 1.264 121.733 120.400 0.114 0.000 2.107 213 K HA -0.162 4.158 4.320 -0.000 0.000 0.211 213 K C -1.043 175.556 176.600 -0.003 0.000 1.049 213 K CA 1.719 58.029 56.287 0.039 0.000 0.927 213 K CB -0.737 31.786 32.500 0.039 0.000 0.714 213 K HN 0.467 nan 8.250 nan 0.000 0.452 214 P HA -0.134 nan 4.420 nan 0.000 0.221 214 P C 0.917 178.100 177.300 -0.195 0.000 1.145 214 P CA 1.486 64.571 63.100 -0.025 0.000 0.795 214 P CB 0.148 31.940 31.700 0.153 0.000 0.775 215 S N -3.950 111.482 115.700 -0.446 0.000 2.666 215 S HA 0.139 4.609 4.470 -0.000 0.000 0.239 215 S C 0.488 174.977 174.600 -0.185 0.000 1.031 215 S CA -0.369 57.627 58.200 -0.339 0.000 1.015 215 S CB -0.658 62.240 63.200 -0.502 0.000 0.981 215 S HN -0.036 nan 8.310 nan 0.000 0.547 216 N N 1.260 119.875 118.700 -0.142 0.000 2.747 216 N HA -0.116 4.624 4.740 -0.000 0.000 0.249 216 N C -0.790 174.690 175.510 -0.049 0.000 1.107 216 N CA 1.317 54.328 53.050 -0.065 0.000 0.707 216 N CB -2.245 36.215 38.487 -0.045 0.000 1.054 216 N HN 0.539 nan 8.380 nan 0.000 0.555 217 T N 0.913 115.436 114.554 -0.052 0.000 2.922 217 T HA 0.488 4.837 4.350 -0.000 0.000 0.285 217 T C 0.692 175.391 174.700 -0.002 0.000 1.005 217 T CA -0.242 61.850 62.100 -0.013 0.000 1.061 217 T CB 2.372 71.251 68.868 0.020 0.000 1.007 217 T HN 0.191 nan 8.240 nan 0.000 0.502 218 K N 2.177 122.570 120.400 -0.011 0.000 2.767 218 K HA 0.410 4.730 4.320 -0.000 0.000 0.286 218 K C -1.949 174.634 176.600 -0.029 0.000 1.177 218 K CA -0.292 55.980 56.287 -0.024 0.000 1.078 218 K CB 0.701 33.188 32.500 -0.022 0.000 1.358 218 K HN 0.388 nan 8.250 nan 0.000 0.531 219 V N 2.903 122.792 119.914 -0.042 0.000 2.448 219 V HA 0.344 4.464 4.120 -0.000 0.000 0.295 219 V C -0.757 175.301 176.094 -0.060 0.000 1.025 219 V CA -0.754 61.523 62.300 -0.038 0.000 0.859 219 V CB 1.754 33.558 31.823 -0.031 0.000 0.988 219 V HN 0.648 nan 8.190 nan 0.000 0.431 220 D N 3.633 124.005 120.400 -0.046 0.000 2.193 220 D HA 0.667 5.307 4.640 -0.000 0.000 0.244 220 D C -0.387 175.894 176.300 -0.033 0.000 1.064 220 D CA -0.481 53.483 54.000 -0.059 0.000 0.845 220 D CB 1.693 42.468 40.800 -0.041 0.000 1.148 220 D HN 0.317 nan 8.370 nan 0.000 0.464 221 K N 1.388 121.762 120.400 -0.044 0.000 2.443 221 K HA 0.365 4.685 4.320 -0.000 0.000 0.252 221 K C -0.604 176.015 176.600 0.032 0.000 0.933 221 K CA -0.703 55.587 56.287 0.005 0.000 0.792 221 K CB 1.364 33.877 32.500 0.023 0.000 1.185 221 K HN 0.158 nan 8.250 nan 0.000 0.425 226 E N 1.493 121.762 120.200 0.114 0.000 2.221 226 E HA 0.734 5.084 4.350 -0.000 0.000 0.268 226 E C -2.703 173.929 176.600 0.054 0.000 0.933 226 E CA -2.193 54.245 56.400 0.063 0.000 0.809 226 E CB 1.270 30.988 29.700 0.030 0.000 1.190 226 E HN 0.216 nan 8.360 nan 0.000 0.406 227 P HA -0.080 nan 4.420 nan 0.000 0.271 227 P C -0.695 176.619 177.300 0.024 0.000 1.228 227 P CA -0.024 63.093 63.100 0.029 0.000 0.797 227 P CB 0.443 32.152 31.700 0.014 0.000 0.914 228 K N 0.288 120.700 120.400 0.020 0.000 2.118 228 K HA 0.254 4.574 4.320 -0.000 0.000 0.264 228 K C -0.247 176.358 176.600 0.009 0.000 1.000 228 K CA -0.292 56.005 56.287 0.015 0.000 0.929 228 K CB 0.315 32.824 32.500 0.014 0.000 1.021 228 K HN 0.265 nan 8.250 nan 0.000 0.463 229 S N 2.676 118.379 115.700 0.006 0.000 3.517 229 S HA 0.110 4.579 4.470 -0.000 0.000 0.284 229 S C -0.648 173.954 174.600 0.002 0.000 1.260 229 S CA -0.612 57.590 58.200 0.003 0.000 0.975 229 S CB -0.848 62.353 63.200 0.002 0.000 1.540 229 S HN 0.451 nan 8.310 nan 0.000 0.506 240 P HA 0.442 nan 4.420 nan 0.000 0.288 240 P C -1.248 176.048 177.300 -0.006 0.000 1.363 240 P CA -0.410 62.686 63.100 -0.007 0.000 0.837 240 P CB 1.422 33.117 31.700 -0.008 0.000 0.981 241 P HA 0.017 nan 4.420 nan 0.000 0.209 241 P C 0.016 177.313 177.300 -0.005 0.000 1.203 241 P CA 0.638 63.735 63.100 -0.005 0.000 0.916 241 P CB 0.128 31.826 31.700 -0.004 0.000 0.763 242 C N 0.223 119.520 119.300 -0.006 0.000 2.474 242 C HA 0.281 4.741 4.460 -0.000 0.000 0.270 242 C C -2.608 172.378 174.990 -0.007 0.000 0.860 242 C CA -1.350 57.664 59.018 -0.006 0.000 0.818 242 C CB -2.088 25.649 27.740 -0.005 0.000 1.638 242 C HN 0.218 nan 8.230 nan 0.000 0.729 243 P HA 0.359 nan 4.420 nan 0.000 0.266 243 P C -0.050 177.244 177.300 -0.010 0.000 1.186 243 P CA 0.579 63.674 63.100 -0.008 0.000 0.767 243 P CB 0.558 32.252 31.700 -0.009 0.000 0.820 244 A N 3.117 125.932 122.820 -0.009 0.000 2.303 244 A HA 0.614 4.934 4.320 -0.000 0.000 0.317 244 A C -1.765 175.811 177.584 -0.014 0.000 1.149 244 A CA -1.077 50.954 52.037 -0.011 0.000 0.822 244 A CB -0.491 18.504 19.000 -0.008 0.000 1.131 244 A HN 0.560 nan 8.150 nan 0.000 0.493 245 P HA 0.277 nan 4.420 nan 0.000 0.272 245 P C -0.421 176.867 177.300 -0.020 0.000 1.240 245 P CA -0.112 62.974 63.100 -0.022 0.000 0.791 245 P CB 0.522 32.205 31.700 -0.029 0.000 0.978 246 E N -0.081 120.106 120.200 -0.022 0.000 2.849 246 E HA 0.565 4.915 4.350 -0.000 0.000 0.257 246 E C -0.600 175.987 176.600 -0.021 0.000 1.306 246 E CA -0.739 55.650 56.400 -0.019 0.000 1.058 246 E CB 0.277 29.965 29.700 -0.019 0.000 1.249 246 E HN 0.185 nan 8.360 nan 0.000 0.638 247 L N 1.116 122.328 121.223 -0.017 0.000 2.513 247 L HA 0.157 4.497 4.340 -0.000 0.000 0.256 247 L C -0.963 175.900 176.870 -0.011 0.000 1.163 247 L CA -0.036 54.794 54.840 -0.017 0.000 0.895 247 L CB 1.190 43.242 42.059 -0.013 0.000 1.076 247 L HN 0.526 nan 8.230 nan 0.000 0.491 248 L N 3.394 124.610 121.223 -0.013 0.000 2.675 248 L HA 0.461 4.801 4.340 -0.000 0.000 0.238 248 L C 1.295 178.161 176.870 -0.006 0.000 1.155 248 L CA 1.171 56.006 54.840 -0.009 0.000 0.881 248 L CB -0.794 41.258 42.059 -0.011 0.000 1.008 248 L HN 0.874 nan 8.230 nan 0.000 0.443 249 G N -0.505 108.292 108.800 -0.006 0.000 2.415 249 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.283 249 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.283 249 G C 0.372 175.270 174.900 -0.002 0.000 1.014 249 G CA 0.253 45.352 45.100 -0.000 0.000 1.323 249 G HN 0.858 nan 8.290 nan 0.000 0.502 250 G N 0.786 109.584 108.800 -0.003 0.000 3.265 250 G HA2 0.811 4.771 3.960 -0.000 0.000 0.171 250 G HA3 0.811 4.771 3.960 -0.000 0.000 0.171 250 G C -2.668 172.234 174.900 0.005 0.000 1.110 250 G CA -0.167 44.931 45.100 -0.003 0.000 0.855 250 G HN 0.428 nan 8.290 nan 0.000 0.658 251 P HA 0.432 nan 4.420 nan 0.000 0.271 251 P C -0.739 176.561 177.300 0.001 0.000 1.233 251 P CA 0.198 63.305 63.100 0.013 0.000 0.789 251 P CB 1.180 32.876 31.700 -0.006 0.000 0.951 252 S N -0.099 115.614 115.700 0.022 0.000 2.572 252 S HA 0.433 4.903 4.470 -0.000 0.000 0.274 252 S C -0.912 173.639 174.600 -0.082 0.000 1.150 252 S CA -0.567 57.599 58.200 -0.057 0.000 0.944 252 S CB 1.143 64.351 63.200 0.013 0.000 1.071 252 S HN 0.084 nan 8.310 nan 0.000 0.479 253 V N 3.506 123.255 119.914 -0.275 0.000 2.547 253 V HA 0.641 4.761 4.120 -0.000 0.000 0.299 253 V C -1.247 174.517 176.094 -0.549 0.000 1.040 253 V CA -0.462 61.709 62.300 -0.214 0.000 0.913 253 V CB 1.085 32.829 31.823 -0.130 0.000 0.992 253 V HN 0.824 nan 8.190 nan 0.000 0.449 254 F N 4.295 124.222 119.950 -0.038 0.000 2.612 254 F HA 0.511 5.038 4.527 -0.000 0.000 0.332 254 F C -0.498 175.090 175.800 -0.353 0.000 1.167 254 F CA -0.536 57.334 58.000 -0.217 0.000 0.970 254 F CB 1.698 40.608 39.000 -0.149 0.000 1.234 254 F HN 0.256 nan 8.300 nan 0.000 0.453 255 L N 5.051 126.121 121.223 -0.255 0.000 2.257 255 L HA 0.575 4.915 4.340 -0.000 0.000 0.290 255 L C -1.272 175.393 176.870 -0.341 0.000 1.044 255 L CA -0.385 54.359 54.840 -0.160 0.000 0.810 255 L CB -0.140 41.907 42.059 -0.020 0.000 1.193 255 L HN 0.307 nan 8.230 nan 0.000 0.425 256 F N 6.609 126.629 119.950 0.117 0.000 2.422 256 F HA 0.637 5.164 4.527 -0.000 0.000 0.333 256 F C -1.788 173.990 175.800 -0.035 0.000 1.095 256 F CA -1.893 56.136 58.000 0.048 0.000 1.038 256 F CB 0.919 39.927 39.000 0.013 0.000 1.156 256 F HN 0.441 nan 8.300 nan 0.000 0.483 257 P HA 0.277 nan 4.420 nan 0.000 0.276 257 P C -2.756 174.343 177.300 -0.334 0.000 1.261 257 P CA -1.695 61.301 63.100 -0.174 0.000 0.800 257 P CB 0.380 32.090 31.700 0.015 0.000 1.066 258 P HA 0.168 nan 4.420 nan 0.000 0.272 258 P C -0.144 176.937 177.300 -0.364 0.000 1.223 258 P CA -0.194 62.547 63.100 -0.597 0.000 0.784 258 P CB 0.289 31.431 31.700 -0.930 0.000 0.923 259 K N 3.716 123.959 120.400 -0.262 0.000 2.416 259 K HA 0.042 4.362 4.320 -0.000 0.000 0.283 259 K C -1.705 174.800 176.600 -0.158 0.000 1.037 259 K CA -1.138 55.050 56.287 -0.167 0.000 0.995 259 K CB 0.005 32.426 32.500 -0.132 0.000 0.938 259 K HN 0.226 nan 8.250 nan 0.000 0.475 260 P HA -0.246 nan 4.420 nan 0.000 0.216 260 P C 0.654 177.922 177.300 -0.054 0.000 1.154 260 P CA 1.468 64.527 63.100 -0.069 0.000 0.865 260 P CB 0.173 31.848 31.700 -0.042 0.000 0.789 261 K N -0.395 119.979 120.400 -0.042 0.000 2.063 261 K HA -0.194 4.125 4.320 -0.000 0.000 0.208 261 K C 1.519 178.113 176.600 -0.010 0.000 1.048 261 K CA 1.807 58.086 56.287 -0.014 0.000 0.928 261 K CB -0.470 32.029 32.500 -0.002 0.000 0.713 261 K HN 0.013 nan 8.250 nan 0.000 0.442 262 D N -0.151 120.220 120.400 -0.049 0.000 2.144 262 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 262 D C 1.857 178.153 176.300 -0.007 0.000 0.984 262 D CA 1.855 55.825 54.000 -0.051 0.000 0.834 262 D CB -0.413 40.299 40.800 -0.146 0.000 0.955 262 D HN 0.475 nan 8.370 nan 0.000 0.465 263 T N -1.814 112.708 114.554 -0.052 0.000 3.035 263 T HA 0.005 4.355 4.350 -0.000 0.000 0.268 263 T C 1.879 176.687 174.700 0.181 0.000 1.109 263 T CA 0.478 62.600 62.100 0.037 0.000 1.119 263 T CB -0.180 68.679 68.868 -0.015 0.000 0.900 263 T HN 0.139 nan 8.240 nan 0.000 0.503 264 L N -0.843 120.426 121.223 0.077 0.000 2.638 264 L HA 0.493 4.833 4.340 -0.000 0.000 0.232 264 L C 0.844 177.712 176.870 -0.003 0.000 1.099 264 L CA -0.087 54.754 54.840 0.002 0.000 0.883 264 L CB 0.039 42.085 42.059 -0.021 0.000 1.136 264 L HN 0.218 nan 8.230 nan 0.000 0.492 265 M N 0.645 120.259 119.600 0.023 0.000 2.364 265 M HA 0.268 4.748 4.480 -0.000 0.000 0.334 265 M C 1.200 177.434 176.300 -0.109 0.000 1.107 265 M CA -0.394 54.891 55.300 -0.025 0.000 0.988 265 M CB 2.538 35.146 32.600 0.013 0.000 1.673 265 M HN 0.048 nan 8.290 nan 0.000 0.441 266 I N -0.424 120.042 120.570 -0.173 0.000 2.614 266 I HA -0.128 4.042 4.170 -0.000 0.000 0.258 266 I C 1.739 177.808 176.117 -0.081 0.000 1.189 266 I CA 1.455 62.619 61.300 -0.226 0.000 1.462 266 I CB -0.328 37.575 38.000 -0.161 0.000 1.092 266 I HN 0.721 nan 8.210 nan 0.000 0.442 267 S N 0.193 115.872 115.700 -0.036 0.000 2.603 267 S HA 0.243 4.713 4.470 -0.000 0.000 0.220 267 S C 0.872 175.485 174.600 0.022 0.000 0.967 267 S CA -0.503 57.693 58.200 -0.006 0.000 0.920 267 S CB -0.177 63.014 63.200 -0.014 0.000 0.773 267 S HN 0.356 nan 8.310 nan 0.000 0.529 268 R N 0.695 121.233 120.500 0.063 0.000 2.873 268 R HA 0.572 4.912 4.340 -0.000 0.000 0.264 268 R C -0.991 175.363 176.300 0.091 0.000 1.026 268 R CA -0.404 55.731 56.100 0.059 0.000 1.002 268 R CB 1.101 31.428 30.300 0.045 0.000 1.174 268 R HN 0.076 nan 8.270 nan 0.000 0.488 269 T N 3.848 118.386 114.554 -0.026 0.000 2.864 269 T HA 0.312 4.662 4.350 -0.000 0.000 0.310 269 T C -2.361 172.204 174.700 -0.225 0.000 1.040 269 T CA -1.288 60.742 62.100 -0.116 0.000 0.977 269 T CB 1.662 70.476 68.868 -0.090 0.000 0.976 269 T HN 0.338 nan 8.240 nan 0.000 0.459 270 P HA 0.319 nan 4.420 nan 0.000 0.275 270 P C -0.867 176.187 177.300 -0.409 0.000 1.228 270 P CA -0.406 62.445 63.100 -0.416 0.000 0.786 270 P CB 0.921 32.294 31.700 -0.544 0.000 0.927 271 E N 0.453 120.404 120.200 -0.416 0.000 2.343 271 E HA 0.457 4.807 4.350 -0.000 0.000 0.278 271 E C -0.706 175.636 176.600 -0.430 0.000 0.910 271 E CA -1.280 54.876 56.400 -0.408 0.000 0.757 271 E CB 1.635 31.153 29.700 -0.303 0.000 1.218 271 E HN 0.203 nan 8.360 nan 0.000 0.435 272 V N -0.283 119.351 119.914 -0.468 0.000 2.509 272 V HA 0.647 4.767 4.120 -0.000 0.000 0.284 272 V C -0.318 175.700 176.094 -0.128 0.000 1.047 272 V CA -0.268 61.837 62.300 -0.324 0.000 0.952 272 V CB 1.295 32.924 31.823 -0.323 0.000 0.988 272 V HN 0.737 nan 8.190 nan 0.000 0.469 273 T N 4.199 118.805 114.554 0.086 0.000 2.807 273 T HA 0.387 4.737 4.350 -0.000 0.000 0.279 273 T C -0.563 174.358 174.700 0.368 0.000 0.993 273 T CA -0.238 61.986 62.100 0.207 0.000 0.970 273 T CB 1.194 70.154 68.868 0.154 0.000 0.950 273 T HN 1.007 nan 8.240 nan 0.000 0.441 274 c N 4.826 123.642 118.600 0.360 0.000 2.251 274 c HA 0.705 5.275 4.570 -0.000 0.000 0.323 274 c C -0.210 173.980 174.090 0.166 0.000 1.241 274 c CA -0.307 56.130 56.329 0.180 0.000 1.601 274 c CB -1.257 41.159 42.510 -0.157 0.000 2.251 274 c HN 0.731 nan 8.230 nan 0.000 0.488 275 V N 7.320 127.406 119.914 0.287 0.000 2.417 275 V HA 0.452 4.572 4.120 -0.000 0.000 0.291 275 V C -0.176 176.127 176.094 0.349 0.000 1.024 275 V CA -0.367 62.131 62.300 0.329 0.000 0.861 275 V CB 1.717 33.786 31.823 0.411 0.000 0.985 275 V HN 0.675 nan 8.190 nan 0.000 0.436 276 V N 6.117 126.226 119.914 0.326 0.000 2.370 276 V HA 0.578 4.697 4.120 -0.000 0.000 0.283 276 V C 0.091 176.327 176.094 0.237 0.000 1.023 276 V CA -0.560 61.897 62.300 0.262 0.000 0.857 276 V CB 1.435 33.383 31.823 0.208 0.000 0.985 276 V HN 0.726 nan 8.190 nan 0.000 0.443 277 V N 0.711 120.771 119.914 0.244 0.000 3.096 277 V HA 0.704 4.824 4.120 -0.000 0.000 0.319 277 V C -0.003 176.177 176.094 0.144 0.000 1.103 277 V CA -0.891 61.531 62.300 0.204 0.000 1.016 277 V CB 1.555 33.518 31.823 0.234 0.000 1.090 277 V HN 0.806 nan 8.190 nan 0.000 0.449 278 D N 0.031 120.494 120.400 0.105 0.000 2.812 278 D HA -0.127 4.513 4.640 -0.000 0.000 0.237 278 D C -0.411 175.914 176.300 0.043 0.000 1.162 278 D CA 0.805 54.836 54.000 0.051 0.000 0.740 278 D CB -0.875 39.955 40.800 0.050 0.000 1.000 278 D HN 0.637 nan 8.370 nan 0.000 0.416 279 V N 1.556 121.511 119.914 0.070 0.000 2.311 279 V HA 0.222 4.342 4.120 -0.000 0.000 0.275 279 V C 0.941 177.071 176.094 0.060 0.000 1.022 279 V CA -0.582 61.774 62.300 0.093 0.000 0.830 279 V CB 1.513 33.440 31.823 0.173 0.000 1.012 279 V HN 0.460 nan 8.190 nan 0.000 0.452 280 S N 2.875 118.577 115.700 0.004 0.000 2.554 280 S HA -0.029 4.441 4.470 -0.000 0.000 0.290 280 S C 1.009 175.629 174.600 0.033 0.000 1.309 280 S CA 0.301 58.469 58.200 -0.052 0.000 1.047 280 S CB 0.027 63.219 63.200 -0.014 0.000 0.828 280 S HN 0.776 nan 8.310 nan 0.000 0.509 281 H N 1.440 120.474 119.070 -0.060 0.000 2.457 281 H HA -0.045 4.511 4.556 -0.000 0.000 0.294 281 H C 1.796 177.146 175.328 0.036 0.000 1.064 281 H CA 1.427 57.443 56.048 -0.054 0.000 1.330 281 H CB 0.141 29.816 29.762 -0.144 0.000 1.395 281 H HN 0.712 nan 8.280 nan 0.000 0.541 282 E N 0.465 120.743 120.200 0.131 0.000 2.051 282 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 282 E C 0.079 176.725 176.600 0.077 0.000 0.991 282 E CA 1.098 57.546 56.400 0.080 0.000 0.799 282 E CB 0.275 30.000 29.700 0.042 0.000 0.748 282 E HN 0.341 nan 8.360 nan 0.000 0.449 283 D N -0.637 119.811 120.400 0.080 0.000 2.378 283 D HA 0.091 4.731 4.640 -0.000 0.000 0.265 283 D C -2.048 174.307 176.300 0.092 0.000 1.229 283 D CA -1.078 52.961 54.000 0.064 0.000 0.914 283 D CB 1.681 42.497 40.800 0.028 0.000 1.140 283 D HN 0.059 nan 8.370 nan 0.000 0.516 284 P HA 0.012 nan 4.420 nan 0.000 0.235 284 P C 0.090 177.402 177.300 0.021 0.000 1.177 284 P CA 0.204 63.397 63.100 0.155 0.000 0.785 284 P CB 0.943 32.782 31.700 0.232 0.000 0.885 285 E N 0.373 120.572 120.200 -0.002 0.000 2.417 285 E HA 0.231 4.580 4.350 -0.000 0.000 0.261 285 E C -0.293 176.257 176.600 -0.083 0.000 1.000 285 E CA 0.320 56.694 56.400 -0.042 0.000 0.919 285 E CB 0.446 30.127 29.700 -0.032 0.000 0.955 285 E HN -0.048 nan 8.360 nan 0.000 0.455 286 V N 3.451 123.280 119.914 -0.142 0.000 2.709 286 V HA 0.363 4.483 4.120 -0.000 0.000 0.308 286 V C -0.279 175.591 176.094 -0.373 0.000 1.062 286 V CA -1.007 61.122 62.300 -0.286 0.000 0.901 286 V CB 1.985 33.568 31.823 -0.400 0.000 1.003 286 V HN 0.516 nan 8.190 nan 0.000 0.425 287 K N 2.988 123.150 120.400 -0.395 0.000 2.274 287 K HA 0.644 4.964 4.320 -0.000 0.000 0.262 287 K C -1.846 174.517 176.600 -0.395 0.000 0.961 287 K CA -0.469 55.647 56.287 -0.286 0.000 0.833 287 K CB 1.121 33.541 32.500 -0.134 0.000 1.102 287 K HN 0.480 nan 8.250 nan 0.000 0.436 288 F N 2.317 122.242 119.950 -0.042 0.000 2.436 288 F HA 0.369 4.896 4.527 -0.000 0.000 0.340 288 F C -0.306 175.413 175.800 -0.135 0.000 1.113 288 F CA -0.752 57.174 58.000 -0.122 0.000 1.022 288 F CB 1.652 40.609 39.000 -0.071 0.000 1.128 288 F HN 0.478 nan 8.300 nan 0.000 0.466 289 N N 2.663 121.322 118.700 -0.068 0.000 2.461 289 N HA 0.343 5.083 4.740 -0.000 0.000 0.284 289 N C -1.752 173.471 175.510 -0.478 0.000 1.049 289 N CA -0.563 52.364 53.050 -0.206 0.000 0.889 289 N CB 1.052 39.458 38.487 -0.134 0.000 1.365 289 N HN 0.437 nan 8.380 nan 0.000 0.499 290 W N 1.901 122.936 121.300 -0.442 0.000 2.512 290 W HA 0.539 5.199 4.660 -0.000 0.000 0.335 290 W C -0.618 175.488 176.519 -0.688 0.000 1.088 290 W CA -0.378 56.736 57.345 -0.386 0.000 1.236 290 W CB 0.881 30.243 29.460 -0.164 0.000 1.307 290 W HN 0.353 nan 8.180 nan 0.000 0.567 291 Y N 1.223 121.680 120.300 0.261 0.000 2.361 291 Y HA 0.490 5.040 4.550 -0.000 0.000 0.328 291 Y C -0.025 175.888 175.900 0.022 0.000 1.044 291 Y CA -1.230 56.928 58.100 0.096 0.000 1.085 291 Y CB 1.011 39.498 38.460 0.045 0.000 1.194 291 Y HN 0.029 nan 8.280 nan 0.000 0.438 300 E N 2.498 122.846 120.200 0.246 0.000 2.366 300 E HA 0.610 4.959 4.350 -0.000 0.000 0.266 300 E C -0.624 175.835 176.600 -0.234 0.000 1.051 300 E CA -0.366 56.065 56.400 0.052 0.000 0.884 300 E CB 1.645 31.397 29.700 0.087 0.000 1.006 300 E HN 0.750 nan 8.360 nan 0.000 0.417 301 V N 1.673 121.361 119.914 -0.378 0.000 2.876 301 V HA 0.404 4.524 4.120 -0.000 0.000 0.312 301 V C -0.255 175.511 176.094 -0.545 0.000 1.085 301 V CA -0.717 61.332 62.300 -0.419 0.000 0.945 301 V CB 1.868 33.597 31.823 -0.157 0.000 1.017 301 V HN 0.821 nan 8.190 nan 0.000 0.428 302 H N 2.916 121.996 119.070 0.016 0.000 2.662 302 H HA 0.229 4.785 4.556 -0.000 0.000 0.268 302 H C 0.777 176.103 175.328 -0.003 0.000 1.152 302 H CA 0.403 56.465 56.048 0.023 0.000 1.072 302 H CB 0.214 29.992 29.762 0.025 0.000 1.660 302 H HN 0.887 nan 8.280 nan 0.000 0.584 303 N N 0.833 119.533 118.700 0.001 0.000 2.353 303 N HA 0.034 4.774 4.740 -0.000 0.000 0.185 303 N C 0.922 176.373 175.510 -0.098 0.000 1.098 303 N CA 0.040 53.068 53.050 -0.038 0.000 0.872 303 N CB 0.399 38.847 38.487 -0.065 0.000 0.970 303 N HN 0.064 nan 8.380 nan 0.000 0.467 304 A N 1.169 123.900 122.820 -0.148 0.000 2.475 304 A HA 0.198 4.518 4.320 -0.000 0.000 0.239 304 A C 0.255 177.805 177.584 -0.056 0.000 1.087 304 A CA 0.135 52.042 52.037 -0.218 0.000 0.779 304 A CB 0.143 19.015 19.000 -0.214 0.000 1.036 304 A HN 0.408 nan 8.150 nan 0.000 0.506 305 K N 0.227 120.589 120.400 -0.064 0.000 2.513 305 K HA 0.466 4.786 4.320 -0.000 0.000 0.251 305 K C -1.133 175.467 176.600 0.000 0.000 0.939 305 K CA -0.356 55.923 56.287 -0.013 0.000 0.793 305 K CB 1.660 34.137 32.500 -0.039 0.000 1.241 305 K HN 0.686 nan 8.250 nan 0.000 0.431 306 T N 3.228 117.815 114.554 0.054 0.000 2.907 306 T HA 0.355 4.705 4.350 -0.000 0.000 0.284 306 T C -0.512 174.221 174.700 0.054 0.000 1.004 306 T CA -0.684 61.460 62.100 0.074 0.000 1.063 306 T CB 1.122 70.119 68.868 0.216 0.000 0.992 306 T HN 0.443 nan 8.240 nan 0.000 0.483 307 K N 2.281 122.710 120.400 0.049 0.000 2.106 307 K HA 0.456 4.776 4.320 -0.000 0.000 0.246 307 K C -2.285 174.335 176.600 0.033 0.000 0.987 307 K CA -2.009 54.296 56.287 0.030 0.000 0.904 307 K CB 0.407 32.918 32.500 0.019 0.000 1.071 307 K HN 0.397 nan 8.250 nan 0.000 0.453 308 P HA -0.023 nan 4.420 nan 0.000 0.268 308 P C -0.739 176.548 177.300 -0.020 0.000 1.204 308 P CA -0.064 63.029 63.100 -0.011 0.000 0.768 308 P CB 0.483 32.174 31.700 -0.015 0.000 0.842 309 R N 2.079 122.532 120.500 -0.078 0.000 2.811 309 R HA 0.143 4.482 4.340 -0.000 0.000 0.265 309 R C -0.449 175.814 176.300 -0.062 0.000 1.026 309 R CA 0.011 56.034 56.100 -0.129 0.000 1.142 309 R CB 0.060 30.109 30.300 -0.419 0.000 1.027 309 R HN 0.459 nan 8.270 nan 0.000 0.465 310 E N 0.739 120.968 120.200 0.048 0.000 2.234 310 E HA 0.108 4.458 4.350 -0.000 0.000 0.266 310 E C -1.401 175.377 176.600 0.297 0.000 0.877 310 E CA -1.003 55.475 56.400 0.130 0.000 0.758 310 E CB 1.951 31.716 29.700 0.108 0.000 1.170 310 E HN 0.535 nan 8.360 nan 0.000 0.415 311 E N 3.029 123.394 120.200 0.276 0.000 2.217 311 E HA -0.000 4.350 4.350 -0.000 0.000 0.279 311 E C -0.683 175.971 176.600 0.091 0.000 1.068 311 E CA -0.169 56.389 56.400 0.265 0.000 0.882 311 E CB 0.396 30.191 29.700 0.158 0.000 1.039 311 E HN 0.207 nan 8.360 nan 0.000 0.418 312 Q N 3.476 123.332 119.800 0.093 0.000 2.306 312 Q HA 0.061 4.401 4.340 -0.000 0.000 0.241 312 Q C 0.332 176.357 176.000 0.043 0.000 0.948 312 Q CA -0.098 55.764 55.803 0.098 0.000 0.886 312 Q CB 0.280 29.078 28.738 0.100 0.000 1.227 312 Q HN 0.707 nan 8.270 nan 0.000 0.457 313 Y N 0.574 120.886 120.300 0.019 0.000 2.315 313 Y HA -0.260 4.290 4.550 -0.000 0.000 0.288 313 Y C 1.035 176.935 175.900 -0.000 0.000 1.154 313 Y CA 1.194 59.301 58.100 0.012 0.000 1.229 313 Y CB -0.191 38.273 38.460 0.008 0.000 0.980 313 Y HN 0.665 nan 8.280 nan 0.000 0.540 318 T N -1.112 113.208 114.554 -0.390 0.000 2.888 318 T HA 0.832 5.182 4.350 -0.000 0.000 0.288 318 T C -1.212 173.334 174.700 -0.257 0.000 1.063 318 T CA -0.636 61.198 62.100 -0.444 0.000 1.010 318 T CB 1.380 70.143 68.868 -0.175 0.000 1.214 318 T HN 0.001 nan 8.240 nan 0.000 0.533 319 Y N -0.002 120.269 120.300 -0.048 0.000 2.496 319 Y HA 0.728 5.278 4.550 -0.000 0.000 0.331 319 Y C 0.565 176.500 175.900 0.058 0.000 1.140 319 Y CA -1.573 56.552 58.100 0.042 0.000 1.166 319 Y CB 1.726 40.228 38.460 0.070 0.000 1.249 319 Y HN 0.718 nan 8.280 nan 0.000 0.479 320 R N 1.546 122.220 120.500 0.289 0.000 2.476 320 R HA 0.739 5.079 4.340 -0.000 0.000 0.305 320 R C -2.298 174.103 176.300 0.169 0.000 0.965 320 R CA -0.512 55.708 56.100 0.198 0.000 0.867 320 R CB 0.950 31.348 30.300 0.164 0.000 1.176 320 R HN 0.513 nan 8.270 nan 0.000 0.447 321 V N 4.795 124.826 119.914 0.194 0.000 2.487 321 V HA 0.497 4.617 4.120 -0.000 0.000 0.298 321 V C -0.522 175.749 176.094 0.294 0.000 1.028 321 V CA -0.846 61.587 62.300 0.222 0.000 0.860 321 V CB 1.795 33.761 31.823 0.239 0.000 0.991 321 V HN 0.474 nan 8.190 nan 0.000 0.427 322 V N 3.143 123.177 119.914 0.199 0.000 2.540 322 V HA 0.590 4.710 4.120 -0.000 0.000 0.302 322 V C -0.010 176.052 176.094 -0.055 0.000 1.035 322 V CA -0.292 62.066 62.300 0.097 0.000 0.873 322 V CB 2.087 33.953 31.823 0.072 0.000 0.992 322 V HN 0.894 nan 8.190 nan 0.000 0.428 323 S N 4.005 119.526 115.700 -0.298 0.000 2.449 323 S HA 0.733 5.203 4.470 -0.000 0.000 0.310 323 S C -0.891 173.702 174.600 -0.010 0.000 1.096 323 S CA -0.458 57.526 58.200 -0.361 0.000 1.095 323 S CB 1.369 63.867 63.200 -1.171 0.000 1.007 323 S HN 0.486 nan 8.310 nan 0.000 0.474 324 V N 6.049 125.916 119.914 -0.078 0.000 2.384 324 V HA 0.526 4.646 4.120 -0.000 0.000 0.287 324 V C -0.552 175.312 176.094 -0.384 0.000 1.020 324 V CA -0.781 61.416 62.300 -0.172 0.000 0.850 324 V CB 1.203 32.943 31.823 -0.139 0.000 0.987 324 V HN 0.799 nan 8.190 nan 0.000 0.436 325 L N 6.245 127.061 121.223 -0.678 0.000 2.295 325 L HA 0.600 4.940 4.340 -0.000 0.000 0.281 325 L C 0.686 177.234 176.870 -0.536 0.000 1.018 325 L CA 0.205 54.540 54.840 -0.842 0.000 0.841 325 L CB 1.569 42.635 42.059 -1.654 0.000 1.218 325 L HN 0.860 nan 8.230 nan 0.000 0.424 326 T N 2.570 116.904 114.554 -0.366 0.000 2.900 326 T HA 0.533 4.883 4.350 -0.000 0.000 0.307 326 T C 0.157 174.698 174.700 -0.266 0.000 1.065 326 T CA 0.075 62.000 62.100 -0.292 0.000 1.105 326 T CB 0.988 69.733 68.868 -0.204 0.000 0.979 326 T HN 0.860 nan 8.240 nan 0.000 0.544 327 V N 0.746 120.500 119.914 -0.268 0.000 3.102 327 V HA 0.695 4.815 4.120 -0.000 0.000 0.312 327 V C -0.532 175.482 176.094 -0.133 0.000 1.135 327 V CA -1.551 60.651 62.300 -0.163 0.000 1.022 327 V CB 1.597 33.238 31.823 -0.305 0.000 1.056 327 V HN 0.993 nan 8.190 nan 0.000 0.436 328 L N 1.998 123.228 121.223 0.012 0.000 2.305 328 L HA 0.463 4.803 4.340 -0.000 0.000 0.281 328 L C 1.485 178.393 176.870 0.063 0.000 1.085 328 L CA -0.414 54.447 54.840 0.036 0.000 0.813 328 L CB 0.719 42.835 42.059 0.096 0.000 1.157 328 L HN 0.858 nan 8.230 nan 0.000 0.436 329 H N 0.938 120.035 119.070 0.045 0.000 2.292 329 H HA -0.250 4.306 4.556 -0.000 0.000 0.292 329 H C 1.853 177.244 175.328 0.106 0.000 1.100 329 H CA 2.343 58.426 56.048 0.059 0.000 1.238 329 H CB 0.000 29.768 29.762 0.010 0.000 1.355 329 H HN 0.606 nan 8.280 nan 0.000 0.484 330 Q N -0.124 119.804 119.800 0.213 0.000 2.119 330 Q HA -0.150 4.190 4.340 -0.000 0.000 0.201 330 Q C 1.751 177.831 176.000 0.133 0.000 0.972 330 Q CA 1.205 57.090 55.803 0.136 0.000 0.847 330 Q CB 0.141 28.937 28.738 0.097 0.000 0.903 330 Q HN 0.516 nan 8.270 nan 0.000 0.433 331 D N -0.135 120.365 120.400 0.167 0.000 2.092 331 D HA -0.207 4.433 4.640 -0.000 0.000 0.193 331 D C 1.334 177.783 176.300 0.248 0.000 0.994 331 D CA 0.866 54.980 54.000 0.190 0.000 0.828 331 D CB -0.350 40.606 40.800 0.261 0.000 0.963 331 D HN 0.422 nan 8.370 nan 0.000 0.450 332 W N 1.445 122.820 121.300 0.124 0.000 2.355 332 W HA -0.135 4.525 4.660 -0.000 0.000 0.309 332 W C 1.871 178.421 176.519 0.052 0.000 1.206 332 W CA 0.711 58.112 57.345 0.094 0.000 1.284 332 W CB -0.334 29.092 29.460 -0.057 0.000 1.145 332 W HN -0.029 nan 8.180 nan 0.000 0.502 333 L N 1.098 122.331 121.223 0.017 0.000 2.275 333 L HA -0.191 4.149 4.340 -0.000 0.000 0.215 333 L C 1.810 178.608 176.870 -0.120 0.000 1.119 333 L CA 0.885 55.667 54.840 -0.096 0.000 0.790 333 L CB -0.941 41.127 42.059 0.015 0.000 0.919 333 L HN -0.081 nan 8.230 nan 0.000 0.443 334 N N 0.353 119.015 118.700 -0.064 0.000 2.461 334 N HA 0.011 4.751 4.740 -0.000 0.000 0.188 334 N C 1.302 176.759 175.510 -0.090 0.000 1.134 334 N CA 0.986 54.005 53.050 -0.050 0.000 0.878 334 N CB 0.602 39.085 38.487 -0.007 0.000 0.972 334 N HN 0.395 nan 8.380 nan 0.000 0.456 335 G N 0.831 109.523 108.800 -0.180 0.000 2.132 335 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.228 335 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.228 335 G C -0.069 174.751 174.900 -0.133 0.000 1.000 335 G CA -0.287 44.691 45.100 -0.205 0.000 0.693 335 G HN 0.265 nan 8.290 nan 0.000 0.515 336 K N 0.923 121.280 120.400 -0.070 0.000 2.401 336 K HA 0.231 4.551 4.320 -0.000 0.000 0.278 336 K C 0.529 177.082 176.600 -0.077 0.000 1.018 336 K CA 0.127 56.365 56.287 -0.082 0.000 0.981 336 K CB 0.675 33.110 32.500 -0.109 0.000 0.933 336 K HN 0.503 nan 8.250 nan 0.000 0.477 337 E N 2.439 122.569 120.200 -0.116 0.000 2.313 337 E HA 0.089 4.439 4.350 -0.000 0.000 0.276 337 E C -0.992 175.540 176.600 -0.113 0.000 1.031 337 E CA -0.173 56.220 56.400 -0.012 0.000 0.857 337 E CB 0.576 30.277 29.700 0.001 0.000 1.040 337 E HN 0.313 nan 8.360 nan 0.000 0.408 338 Y N 1.817 122.233 120.300 0.193 0.000 2.334 338 Y HA 0.232 4.782 4.550 -0.000 0.000 0.336 338 Y C 0.258 176.324 175.900 0.277 0.000 0.960 338 Y CA -0.643 57.618 58.100 0.270 0.000 1.164 338 Y CB 1.343 39.997 38.460 0.324 0.000 1.155 338 Y HN 0.287 nan 8.280 nan 0.000 0.478 339 K N 3.442 124.062 120.400 0.366 0.000 2.235 339 K HA 0.594 4.914 4.320 -0.000 0.000 0.266 339 K C -1.329 175.386 176.600 0.193 0.000 0.980 339 K CA -0.513 55.938 56.287 0.274 0.000 0.849 339 K CB 1.057 33.723 32.500 0.277 0.000 1.098 339 K HN 0.794 nan 8.250 nan 0.000 0.445 340 c N 5.201 123.761 118.600 -0.066 0.000 2.298 340 c HA 0.447 5.017 4.570 -0.000 0.000 0.323 340 c C -0.685 173.262 174.090 -0.239 0.000 1.284 340 c CA -0.681 55.336 56.329 -0.521 0.000 1.577 340 c CB -0.034 41.993 42.510 -0.806 0.000 2.249 340 c HN 0.952 nan 8.230 nan 0.000 0.497 341 K N 5.642 125.917 120.400 -0.208 0.000 2.367 341 K HA 0.617 4.937 4.320 -0.000 0.000 0.263 341 K C -1.197 175.355 176.600 -0.080 0.000 1.000 341 K CA -0.371 55.883 56.287 -0.054 0.000 0.891 341 K CB 1.119 33.675 32.500 0.094 0.000 1.117 341 K HN 0.644 nan 8.250 nan 0.000 0.443 342 V N 3.051 122.915 119.914 -0.083 0.000 2.427 342 V HA 0.338 4.458 4.120 -0.000 0.000 0.286 342 V C -0.458 175.544 176.094 -0.153 0.000 1.034 342 V CA -0.513 61.697 62.300 -0.150 0.000 0.893 342 V CB 1.676 33.436 31.823 -0.105 0.000 0.982 342 V HN 0.783 nan 8.190 nan 0.000 0.452 343 S N 4.929 120.501 115.700 -0.213 0.000 2.532 343 S HA 0.563 5.033 4.470 -0.000 0.000 0.299 343 S C -0.635 173.870 174.600 -0.159 0.000 1.105 343 S CA -0.782 57.330 58.200 -0.147 0.000 1.018 343 S CB 1.358 64.493 63.200 -0.110 0.000 1.021 343 S HN 0.845 nan 8.310 nan 0.000 0.483 344 N N 1.026 119.663 118.700 -0.105 0.000 2.308 344 N HA 0.237 4.977 4.740 -0.000 0.000 0.283 344 N C 0.348 175.827 175.510 -0.052 0.000 1.105 344 N CA -0.537 52.464 53.050 -0.083 0.000 0.840 344 N CB 1.297 39.741 38.487 -0.072 0.000 1.633 344 N HN 0.373 nan 8.380 nan 0.000 0.476 345 K N 0.985 121.362 120.400 -0.038 0.000 2.113 345 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 345 K C 1.561 178.149 176.600 -0.020 0.000 1.047 345 K CA 1.813 58.085 56.287 -0.025 0.000 0.928 345 K CB -0.088 32.402 32.500 -0.016 0.000 0.716 345 K HN 0.571 nan 8.250 nan 0.000 0.446 346 A N 0.903 123.712 122.820 -0.018 0.000 2.206 346 A HA 0.034 4.354 4.320 -0.000 0.000 0.211 346 A C 0.850 178.422 177.584 -0.020 0.000 1.158 346 A CA 0.345 52.373 52.037 -0.014 0.000 0.761 346 A CB -0.135 18.859 19.000 -0.010 0.000 0.801 346 A HN 0.117 nan 8.150 nan 0.000 0.473 347 L N 0.282 121.488 121.223 -0.029 0.000 2.260 347 L HA 0.211 4.551 4.340 -0.000 0.000 0.289 347 L C -1.455 175.397 176.870 -0.031 0.000 1.057 347 L CA -1.798 53.022 54.840 -0.033 0.000 0.811 347 L CB 1.300 43.332 42.059 -0.046 0.000 1.184 347 L HN 0.089 nan 8.230 nan 0.000 0.429 348 P HA -0.145 nan 4.420 nan 0.000 0.213 348 P C -0.169 177.112 177.300 -0.031 0.000 1.170 348 P CA 0.984 64.067 63.100 -0.027 0.000 0.902 348 P CB 0.297 31.981 31.700 -0.026 0.000 0.789 349 A N -1.364 121.437 122.820 -0.033 0.000 2.386 349 A HA 0.602 4.922 4.320 -0.000 0.000 0.311 349 A C -2.639 174.922 177.584 -0.039 0.000 1.068 349 A CA -1.807 50.210 52.037 -0.034 0.000 0.743 349 A CB 0.545 19.526 19.000 -0.032 0.000 1.258 349 A HN -0.064 nan 8.150 nan 0.000 0.429 350 P HA 0.176 nan 4.420 nan 0.000 0.267 350 P C -0.620 176.652 177.300 -0.047 0.000 1.200 350 P CA 0.119 63.191 63.100 -0.047 0.000 0.772 350 P CB 0.527 32.205 31.700 -0.037 0.000 0.855 351 I N 2.195 122.730 120.570 -0.059 0.000 2.385 351 I HA 0.273 4.443 4.170 -0.000 0.000 0.294 351 I C 0.964 177.045 176.117 -0.059 0.000 0.988 351 I CA -0.364 60.898 61.300 -0.064 0.000 1.265 351 I CB 0.544 38.494 38.000 -0.084 0.000 1.388 351 I HN 0.371 nan 8.210 nan 0.000 0.480 352 E N 5.647 125.816 120.200 -0.052 0.000 2.187 352 E HA 0.478 4.828 4.350 -0.000 0.000 0.268 352 E C -0.829 175.742 176.600 -0.048 0.000 0.896 352 E CA -0.954 55.424 56.400 -0.037 0.000 0.766 352 E CB 2.406 32.099 29.700 -0.012 0.000 1.142 352 E HN 0.258 nan 8.360 nan 0.000 0.408 353 K N 1.788 122.160 120.400 -0.046 0.000 2.468 353 K HA 0.439 4.759 4.320 -0.000 0.000 0.252 353 K C -0.748 175.864 176.600 0.021 0.000 0.932 353 K CA -0.628 55.635 56.287 -0.040 0.000 0.794 353 K CB 2.162 34.612 32.500 -0.084 0.000 1.241 353 K HN 0.696 nan 8.250 nan 0.000 0.428 354 T N -0.246 114.337 114.554 0.048 0.000 2.893 354 T HA 0.852 5.201 4.350 -0.000 0.000 0.291 354 T C 0.333 175.112 174.700 0.132 0.000 1.028 354 T CA -0.825 61.343 62.100 0.113 0.000 0.995 354 T CB 1.182 70.103 68.868 0.089 0.000 1.051 354 T HN 0.629 nan 8.240 nan 0.000 0.470 358 K N 0.840 120.658 120.400 -0.970 0.000 2.469 358 K HA 0.472 4.792 4.320 -0.000 0.000 0.274 358 K C 0.667 177.129 176.600 -0.230 0.000 0.983 358 K CA 0.215 56.139 56.287 -0.605 0.000 0.974 358 K CB 0.306 32.307 32.500 -0.832 0.000 0.913 358 K HN 0.954 nan 8.250 nan 0.000 0.493 359 A N 4.027 126.790 122.820 -0.095 0.000 2.520 359 A HA 0.048 4.368 4.320 -0.000 0.000 0.235 359 A C -0.416 177.210 177.584 0.070 0.000 1.065 359 A CA 0.319 52.356 52.037 0.001 0.000 0.764 359 A CB 0.154 19.146 19.000 -0.014 0.000 1.002 359 A HN 0.762 nan 8.150 nan 0.000 0.502 360 K N 0.449 120.928 120.400 0.132 0.000 2.087 360 K HA 0.678 4.998 4.320 -0.000 0.000 0.255 360 K C 0.421 177.168 176.600 0.244 0.000 0.988 360 K CA 0.477 56.846 56.287 0.136 0.000 0.915 360 K CB 1.469 34.008 32.500 0.064 0.000 1.043 360 K HN 1.408 nan 8.250 nan 0.000 0.457 364 P HA 0.217 nan 4.420 nan 0.000 0.271 364 P C -0.762 176.696 177.300 0.263 0.000 1.218 364 P CA 0.017 63.300 63.100 0.306 0.000 0.780 364 P CB 0.666 32.504 31.700 0.230 0.000 0.901 365 R N 1.886 122.596 120.500 0.350 0.000 2.532 365 R HA 0.238 4.578 4.340 -0.000 0.000 0.297 365 R C -0.161 176.274 176.300 0.224 0.000 0.984 365 R CA -0.803 55.439 56.100 0.237 0.000 0.884 365 R CB 1.808 32.230 30.300 0.204 0.000 1.182 365 R HN 0.567 nan 8.270 nan 0.000 0.442 366 E N 3.984 124.277 120.200 0.155 0.000 2.344 366 E HA 0.224 4.574 4.350 -0.000 0.000 0.270 366 E C -2.090 174.533 176.600 0.039 0.000 1.021 366 E CA -1.761 54.697 56.400 0.097 0.000 0.887 366 E CB 0.536 30.293 29.700 0.094 0.000 0.997 366 E HN 0.188 nan 8.360 nan 0.000 0.429 367 P HA 0.020 nan 4.420 nan 0.000 0.275 367 P C -0.969 176.273 177.300 -0.097 0.000 1.228 367 P CA -0.327 62.753 63.100 -0.033 0.000 0.786 367 P CB 0.874 32.425 31.700 -0.247 0.000 0.927 368 Q N 0.573 120.306 119.800 -0.112 0.000 2.256 368 Q HA 0.487 4.827 4.340 -0.000 0.000 0.257 368 Q C -0.762 174.943 176.000 -0.492 0.000 0.936 368 Q CA -0.781 54.826 55.803 -0.326 0.000 0.903 368 Q CB 1.758 30.326 28.738 -0.283 0.000 1.263 368 Q HN 0.211 nan 8.270 nan 0.000 0.440 369 V N 3.359 122.886 119.914 -0.646 0.000 2.448 369 V HA 0.441 4.561 4.120 -0.000 0.000 0.295 369 V C -1.342 174.378 176.094 -0.624 0.000 1.025 369 V CA -0.793 61.202 62.300 -0.509 0.000 0.859 369 V CB 0.671 32.288 31.823 -0.343 0.000 0.988 369 V HN 0.629 nan 8.190 nan 0.000 0.431 370 Y N 1.842 122.109 120.300 -0.055 0.000 2.346 370 Y HA 0.562 5.112 4.550 -0.000 0.000 0.332 370 Y C 0.591 176.497 175.900 0.010 0.000 0.985 370 Y CA -1.041 57.050 58.100 -0.016 0.000 1.112 370 Y CB 2.161 40.619 38.460 -0.004 0.000 1.170 370 Y HN 0.706 nan 8.280 nan 0.000 0.447 371 T N 2.240 116.909 114.554 0.191 0.000 2.845 371 T HA 0.815 5.165 4.350 -0.000 0.000 0.288 371 T C -0.641 174.182 174.700 0.206 0.000 0.980 371 T CA -0.696 61.519 62.100 0.193 0.000 1.071 371 T CB 0.654 69.639 68.868 0.195 0.000 0.941 371 T HN 0.497 nan 8.240 nan 0.000 0.487 372 L N 4.441 125.784 121.223 0.200 0.000 2.381 372 L HA 0.536 4.876 4.340 -0.000 0.000 0.274 372 L C -2.216 174.698 176.870 0.073 0.000 0.988 372 L CA -2.544 52.380 54.840 0.139 0.000 0.824 372 L CB 2.339 44.479 42.059 0.135 0.000 1.263 372 L HN 0.490 nan 8.230 nan 0.000 0.410 373 P HA 0.316 nan 4.420 nan 0.000 0.277 373 P C -2.671 174.528 177.300 -0.168 0.000 1.271 373 P CA -1.637 61.425 63.100 -0.065 0.000 0.795 373 P CB -0.272 31.546 31.700 0.196 0.000 1.101 374 P HA 0.043 nan 4.420 nan 0.000 0.267 374 P C 0.245 177.473 177.300 -0.120 0.000 1.200 374 P CA 0.340 63.262 63.100 -0.297 0.000 0.772 374 P CB 0.140 31.568 31.700 -0.453 0.000 0.855 375 S N 1.655 117.299 115.700 -0.094 0.000 2.564 375 S HA 0.074 4.544 4.470 -0.000 0.000 0.278 375 S C 1.403 175.988 174.600 -0.026 0.000 1.333 375 S CA -0.330 57.843 58.200 -0.044 0.000 1.048 375 S CB 0.218 63.391 63.200 -0.046 0.000 0.900 375 S HN 0.259 nan 8.310 nan 0.000 0.505 376 R N 2.389 122.890 120.500 0.002 0.000 2.117 376 R HA -0.125 4.215 4.340 -0.000 0.000 0.243 376 R C 1.276 177.580 176.300 0.006 0.000 1.143 376 R CA 2.147 58.258 56.100 0.019 0.000 0.968 376 R CB -0.335 29.980 30.300 0.025 0.000 0.863 376 R HN 0.617 nan 8.270 nan 0.000 0.444 377 D N 0.345 120.741 120.400 -0.007 0.000 2.144 377 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 377 D C 0.875 177.163 176.300 -0.019 0.000 0.984 377 D CA 0.820 54.813 54.000 -0.011 0.000 0.834 377 D CB -0.131 40.660 40.800 -0.016 0.000 0.955 377 D HN 0.336 nan 8.370 nan 0.000 0.465 382 T N -3.139 111.417 114.554 0.003 0.000 3.067 382 T HA 0.155 4.505 4.350 -0.000 0.000 0.257 382 T C 0.952 175.652 174.700 -0.000 0.000 1.105 382 T CA 0.125 62.228 62.100 0.005 0.000 1.104 382 T CB 0.243 69.111 68.868 0.001 0.000 0.925 382 T HN -0.044 nan 8.240 nan 0.000 0.498 383 K N 1.524 121.918 120.400 -0.010 0.000 2.117 383 K HA 0.326 4.646 4.320 -0.000 0.000 0.240 383 K C 0.665 177.259 176.600 -0.010 0.000 1.031 383 K CA -0.636 55.642 56.287 -0.016 0.000 0.909 383 K CB 0.402 32.883 32.500 -0.031 0.000 1.097 383 K HN 0.022 nan 8.250 nan 0.000 0.492 384 N N 0.817 119.510 118.700 -0.011 0.000 2.376 384 N HA -0.073 4.667 4.740 -0.000 0.000 0.177 384 N C -0.083 175.420 175.510 -0.011 0.000 1.024 384 N CA 0.884 53.931 53.050 -0.004 0.000 0.893 384 N CB 0.419 38.904 38.487 -0.003 0.000 0.980 384 N HN 0.433 nan 8.380 nan 0.000 0.439 385 Q N 0.688 120.468 119.800 -0.034 0.000 2.353 385 Q HA 0.462 4.802 4.340 -0.000 0.000 0.268 385 Q C -0.624 175.319 176.000 -0.096 0.000 1.045 385 Q CA -0.677 55.091 55.803 -0.059 0.000 0.811 385 Q CB 3.155 31.857 28.738 -0.060 0.000 1.305 385 Q HN -0.040 nan 8.270 nan 0.000 0.447 386 V N -1.129 118.696 119.914 -0.148 0.000 3.096 386 V HA 0.729 4.849 4.120 -0.000 0.000 0.319 386 V C -0.404 175.509 176.094 -0.301 0.000 1.103 386 V CA -0.707 61.456 62.300 -0.227 0.000 1.016 386 V CB 2.128 33.767 31.823 -0.307 0.000 1.090 386 V HN 0.669 nan 8.190 nan 0.000 0.449 387 S N 2.915 118.420 115.700 -0.325 0.000 2.474 387 S HA 0.659 5.129 4.470 -0.000 0.000 0.321 387 S C -0.441 173.899 174.600 -0.433 0.000 1.080 387 S CA -0.498 57.502 58.200 -0.334 0.000 1.106 387 S CB 0.686 63.756 63.200 -0.216 0.000 0.984 387 S HN 0.654 nan 8.310 nan 0.000 0.464 388 L N 3.186 124.075 121.223 -0.557 0.000 2.292 388 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 388 L C 0.190 176.893 176.870 -0.278 0.000 1.065 388 L CA -0.305 54.195 54.840 -0.567 0.000 0.806 388 L CB 1.143 42.675 42.059 -0.878 0.000 1.175 388 L HN 0.493 nan 8.230 nan 0.000 0.431 389 T N 1.558 116.132 114.554 0.033 0.000 2.829 389 T HA 0.257 4.607 4.350 -0.000 0.000 0.280 389 T C -0.812 174.156 174.700 0.447 0.000 0.999 389 T CA -0.339 61.922 62.100 0.268 0.000 0.983 389 T CB 1.644 70.629 68.868 0.195 0.000 0.968 389 T HN 0.624 nan 8.240 nan 0.000 0.446 390 c N 5.559 124.453 118.600 0.491 0.000 2.293 390 c HA 0.722 5.292 4.570 -0.000 0.000 0.323 390 c C -0.385 173.784 174.090 0.132 0.000 1.240 390 c CA -0.942 55.512 56.329 0.208 0.000 1.497 390 c CB -1.266 41.177 42.510 -0.112 0.000 2.171 390 c HN 0.846 nan 8.230 nan 0.000 0.465 391 L N 7.791 129.060 121.223 0.075 0.000 2.292 391 L HA 0.761 5.101 4.340 -0.000 0.000 0.284 391 L C -0.658 176.161 176.870 -0.084 0.000 1.065 391 L CA 0.345 55.106 54.840 -0.131 0.000 0.806 391 L CB 1.394 43.413 42.059 -0.067 0.000 1.175 391 L HN 0.505 nan 8.230 nan 0.000 0.431 392 V N 5.944 125.811 119.914 -0.078 0.000 2.443 392 V HA 0.616 4.736 4.120 -0.000 0.000 0.293 392 V C -0.346 175.903 176.094 0.259 0.000 1.021 392 V CA -0.678 61.616 62.300 -0.011 0.000 0.848 392 V CB 1.298 33.045 31.823 -0.128 0.000 0.998 392 V HN 0.909 nan 8.190 nan 0.000 0.424 393 K N 2.196 122.742 120.400 0.244 0.000 2.495 393 K HA 0.831 5.151 4.320 -0.000 0.000 0.268 393 K C 0.528 177.293 176.600 0.275 0.000 1.008 393 K CA -0.362 56.122 56.287 0.328 0.000 0.882 393 K CB 2.067 34.680 32.500 0.189 0.000 1.443 393 K HN 1.078 nan 8.250 nan 0.000 0.447 394 G N 0.370 109.263 108.800 0.156 0.000 2.148 394 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.254 394 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.254 394 G C -0.306 174.680 174.900 0.143 0.000 0.981 394 G CA 0.689 45.852 45.100 0.105 0.000 0.670 394 G HN 0.653 nan 8.290 nan 0.000 0.528 395 F N -1.104 118.885 119.950 0.066 0.000 2.403 395 F HA 0.874 5.400 4.527 -0.000 0.000 0.326 395 F C -0.201 175.780 175.800 0.301 0.000 1.081 395 F CA -2.705 55.295 58.000 -0.001 0.000 1.041 395 F CB 1.095 39.868 39.000 -0.378 0.000 1.234 395 F HN 0.177 nan 8.300 nan 0.000 0.503 396 Y N 1.685 122.210 120.300 0.374 0.000 2.474 396 Y HA 0.435 4.985 4.550 -0.000 0.000 0.326 396 Y C -2.932 173.253 175.900 0.476 0.000 1.160 396 Y CA -2.238 56.108 58.100 0.410 0.000 1.056 396 Y CB 2.183 40.812 38.460 0.281 0.000 1.330 396 Y HN 0.449 nan 8.280 nan 0.000 0.447 397 P HA 0.046 nan 4.420 nan 0.000 0.280 397 P C 0.260 177.430 177.300 -0.218 0.000 1.278 397 P CA 0.614 63.315 63.100 -0.665 0.000 0.787 397 P CB 0.611 32.066 31.700 -0.408 0.000 1.163 398 S N -2.486 112.846 115.700 -0.614 0.000 2.562 398 S HA -0.006 4.464 4.470 -0.000 0.000 0.221 398 S C 0.366 174.905 174.600 -0.101 0.000 0.975 398 S CA 0.195 58.005 58.200 -0.649 0.000 0.918 398 S CB -0.840 61.520 63.200 -1.400 0.000 0.772 398 S HN 0.264 nan 8.310 nan 0.000 0.531 399 D N 1.678 122.035 120.400 -0.070 0.000 2.417 399 D HA 0.456 5.096 4.640 -0.000 0.000 0.250 399 D C -0.373 175.954 176.300 0.045 0.000 1.166 399 D CA 0.464 54.454 54.000 -0.016 0.000 0.881 399 D CB 1.012 41.806 40.800 -0.010 0.000 1.164 399 D HN 0.410 nan 8.370 nan 0.000 0.467 400 I N 0.329 120.898 120.570 -0.001 0.000 2.961 400 I HA 0.481 4.651 4.170 -0.000 0.000 0.303 400 I C -1.953 174.118 176.117 -0.077 0.000 1.505 400 I CA -0.525 60.745 61.300 -0.051 0.000 0.964 400 I CB 1.877 39.714 38.000 -0.271 0.000 1.348 400 I HN 0.365 nan 8.210 nan 0.000 0.508 401 A N 4.661 127.421 122.820 -0.100 0.000 2.381 401 A HA 0.838 5.158 4.320 -0.000 0.000 0.299 401 A C -1.593 175.918 177.584 -0.122 0.000 1.049 401 A CA -0.457 51.537 52.037 -0.071 0.000 0.715 401 A CB 1.371 20.352 19.000 -0.033 0.000 1.222 401 A HN 0.502 nan 8.150 nan 0.000 0.428 406 W N 1.441 122.425 121.300 -0.526 0.000 2.819 406 W HA 0.432 5.092 4.660 -0.000 0.000 0.337 406 W C -0.210 176.286 176.519 -0.039 0.000 1.077 406 W CA -0.132 57.025 57.345 -0.314 0.000 1.226 406 W CB 1.702 30.887 29.460 -0.458 0.000 1.419 406 W HN 0.484 nan 8.180 nan 0.000 0.502 407 E N 0.717 121.096 120.200 0.298 0.000 2.458 407 E HA 0.842 5.192 4.350 -0.000 0.000 0.278 407 E C -1.173 175.556 176.600 0.215 0.000 1.004 407 E CA -1.072 55.469 56.400 0.234 0.000 0.823 407 E CB 2.306 32.096 29.700 0.149 0.000 1.396 407 E HN 0.177 nan 8.360 nan 0.000 0.463 415 P HA 0.115 nan 4.420 nan 0.000 0.276 415 P C -0.165 177.264 177.300 0.215 0.000 1.243 415 P CA -0.038 63.169 63.100 0.179 0.000 0.768 415 P CB 1.002 32.797 31.700 0.158 0.000 0.856 416 E N 2.946 123.332 120.200 0.310 0.000 2.397 416 E HA 0.087 4.437 4.350 -0.000 0.000 0.254 416 E C 0.812 177.609 176.600 0.328 0.000 1.231 416 E CA -0.120 56.480 56.400 0.333 0.000 0.954 416 E CB 0.624 30.574 29.700 0.417 0.000 1.024 416 E HN 0.444 nan 8.360 nan 0.000 0.481 417 N N 0.293 119.118 118.700 0.208 0.000 2.612 417 N HA -0.060 4.680 4.740 -0.000 0.000 0.224 417 N C 0.191 175.656 175.510 -0.074 0.000 1.051 417 N CA 0.139 53.217 53.050 0.046 0.000 0.889 417 N CB 0.092 38.593 38.487 0.024 0.000 1.449 417 N HN 0.386 nan 8.380 nan 0.000 0.442 418 N N 0.858 119.569 118.700 0.018 0.000 3.050 418 N HA 0.028 4.768 4.740 -0.000 0.000 0.289 418 N C -1.359 174.158 175.510 0.012 0.000 1.209 418 N CA -0.074 52.956 53.050 -0.033 0.000 1.154 418 N CB -0.235 38.236 38.487 -0.025 0.000 1.444 418 N HN 0.197 nan 8.380 nan 0.000 0.529 419 Y N -0.627 119.651 120.300 -0.037 0.000 2.571 419 Y HA 0.578 5.128 4.550 -0.000 0.000 0.341 419 Y C -1.429 174.490 175.900 0.031 0.000 1.076 419 Y CA -1.286 56.790 58.100 -0.040 0.000 1.029 419 Y CB 1.025 39.463 38.460 -0.037 0.000 1.308 419 Y HN -0.188 nan 8.280 nan 0.000 0.461 420 K N 1.756 122.288 120.400 0.220 0.000 2.371 420 K HA 0.633 4.953 4.320 -0.000 0.000 0.251 420 K C -1.382 175.365 176.600 0.246 0.000 0.934 420 K CA -0.874 55.508 56.287 0.159 0.000 0.798 420 K CB 2.540 35.082 32.500 0.071 0.000 1.204 420 K HN 0.909 nan 8.250 nan 0.000 0.427 421 T N 1.223 115.908 114.554 0.219 0.000 2.841 421 T HA 0.267 4.617 4.350 -0.000 0.000 0.283 421 T C 0.187 174.980 174.700 0.155 0.000 1.000 421 T CA -0.653 61.578 62.100 0.218 0.000 0.977 421 T CB 1.502 70.494 68.868 0.207 0.000 0.979 421 T HN 0.691 nan 8.240 nan 0.000 0.446 422 T N 1.777 116.432 114.554 0.168 0.000 2.766 422 T HA 0.432 4.782 4.350 -0.000 0.000 0.295 422 T C -2.527 172.233 174.700 0.101 0.000 1.024 422 T CA -1.349 60.830 62.100 0.130 0.000 1.018 422 T CB -0.036 68.929 68.868 0.163 0.000 1.002 422 T HN 0.201 nan 8.240 nan 0.000 0.532 423 P HA 0.402 nan 4.420 nan 0.000 0.276 423 P C -2.565 174.759 177.300 0.040 0.000 1.261 423 P CA -1.675 61.454 63.100 0.048 0.000 0.800 423 P CB -0.593 31.127 31.700 0.033 0.000 1.066 424 P HA 0.109 nan 4.420 nan 0.000 0.269 424 P C -0.948 176.365 177.300 0.021 0.000 1.209 424 P CA 0.413 63.552 63.100 0.065 0.000 0.776 424 P CB 0.390 32.081 31.700 -0.015 0.000 0.876 425 V N 3.553 123.392 119.914 -0.126 0.000 2.638 425 V HA 0.205 4.325 4.120 -0.000 0.000 0.306 425 V C -0.263 175.668 176.094 -0.271 0.000 1.052 425 V CA -0.889 61.246 62.300 -0.275 0.000 0.885 425 V CB 1.991 33.367 31.823 -0.746 0.000 0.999 425 V HN 0.344 nan 8.190 nan 0.000 0.424 426 L N 4.271 125.384 121.223 -0.183 0.000 2.418 426 L HA 0.349 4.689 4.340 -0.000 0.000 0.274 426 L C 0.192 176.976 176.870 -0.144 0.000 1.135 426 L CA 0.868 55.472 54.840 -0.393 0.000 0.870 426 L CB 0.211 42.090 42.059 -0.301 0.000 1.154 426 L HN 0.684 nan 8.230 nan 0.000 0.462 427 D N 2.131 122.458 120.400 -0.121 0.000 2.388 427 D HA 0.291 4.931 4.640 -0.000 0.000 0.254 427 D C 0.040 176.324 176.300 -0.026 0.000 1.111 427 D CA -0.303 53.743 54.000 0.077 0.000 0.993 427 D CB 1.522 42.408 40.800 0.144 0.000 1.118 427 D HN 0.606 nan 8.370 nan 0.000 0.502 434 S N 0.017 115.598 115.700 -0.199 0.000 2.713 434 S HA 0.848 5.318 4.470 -0.000 0.000 0.277 434 S C -0.459 173.857 174.600 -0.473 0.000 1.168 434 S CA -0.595 57.511 58.200 -0.156 0.000 0.994 434 S CB 1.258 64.442 63.200 -0.027 0.000 1.054 434 S HN 0.077 nan 8.310 nan 0.000 0.555 435 F N 0.281 119.962 119.950 -0.449 0.000 2.541 435 F HA 0.769 5.296 4.527 -0.000 0.000 0.331 435 F C -0.125 175.207 175.800 -0.780 0.000 1.057 435 F CA -1.280 56.326 58.000 -0.657 0.000 0.975 435 F CB 1.376 39.876 39.000 -0.834 0.000 1.246 435 F HN 0.750 nan 8.300 nan 0.000 0.484 436 F N 0.850 120.689 119.950 -0.183 0.000 2.643 436 F HA 0.921 5.448 4.527 -0.000 0.000 0.314 436 F C -1.871 174.052 175.800 0.206 0.000 1.096 436 F CA -1.578 56.458 58.000 0.060 0.000 0.953 436 F CB 1.642 40.644 39.000 0.003 0.000 1.345 436 F HN 0.439 nan 8.300 nan 0.000 0.468 437 L N -0.392 121.031 121.223 0.333 0.000 2.838 437 L HA 0.715 5.055 4.340 -0.000 0.000 0.266 437 L C -2.355 174.621 176.870 0.177 0.000 1.040 437 L CA -1.349 53.619 54.840 0.213 0.000 0.906 437 L CB 1.435 43.619 42.059 0.208 0.000 1.501 437 L HN 0.762 nan 8.230 nan 0.000 0.407 438 Y N -0.573 119.874 120.300 0.244 0.000 2.499 438 Y HA 0.797 5.347 4.550 -0.000 0.000 0.347 438 Y C 0.063 176.076 175.900 0.189 0.000 0.987 438 Y CA -0.445 57.788 58.100 0.221 0.000 1.044 438 Y CB 2.542 41.130 38.460 0.214 0.000 1.245 438 Y HN 0.818 nan 8.280 nan 0.000 0.461 439 S N 2.550 118.474 115.700 0.373 0.000 2.500 439 S HA 0.565 5.035 4.470 -0.000 0.000 0.301 439 S C -1.329 173.532 174.600 0.434 0.000 1.092 439 S CA -0.815 57.617 58.200 0.386 0.000 1.030 439 S CB 0.834 64.261 63.200 0.379 0.000 1.031 439 S HN 0.629 nan 8.310 nan 0.000 0.483 440 K N 3.992 124.569 120.400 0.295 0.000 2.413 440 K HA 0.562 4.882 4.320 -0.000 0.000 0.257 440 K C -1.535 175.003 176.600 -0.103 0.000 0.946 440 K CA -0.798 55.541 56.287 0.086 0.000 0.823 440 K CB 1.123 33.645 32.500 0.038 0.000 1.109 440 K HN 0.521 nan 8.250 nan 0.000 0.427 441 L N 3.298 124.204 121.223 -0.527 0.000 2.309 441 L HA 0.499 4.839 4.340 -0.000 0.000 0.282 441 L C -1.013 175.554 176.870 -0.504 0.000 1.036 441 L CA 0.350 54.741 54.840 -0.750 0.000 0.806 441 L CB 1.943 42.957 42.059 -1.742 0.000 1.220 441 L HN 0.628 nan 8.230 nan 0.000 0.429 442 T N 5.118 119.487 114.554 -0.310 0.000 2.807 442 T HA 0.727 5.077 4.350 -0.000 0.000 0.279 442 T C -0.805 173.770 174.700 -0.208 0.000 0.993 442 T CA -0.309 61.644 62.100 -0.245 0.000 0.970 442 T CB 1.252 70.034 68.868 -0.145 0.000 0.950 442 T HN 0.643 nan 8.240 nan 0.000 0.441 443 V N 0.062 119.845 119.914 -0.218 0.000 3.114 443 V HA 0.623 4.743 4.120 -0.000 0.000 0.308 443 V C -0.882 175.176 176.094 -0.061 0.000 1.168 443 V CA -1.320 60.907 62.300 -0.122 0.000 1.015 443 V CB 2.087 33.811 31.823 -0.165 0.000 1.050 443 V HN 0.640 nan 8.190 nan 0.000 0.433 444 D N 1.808 122.215 120.400 0.012 0.000 2.455 444 D HA 0.082 4.722 4.640 -0.000 0.000 0.241 444 D C 0.932 177.272 176.300 0.067 0.000 1.138 444 D CA 0.330 54.349 54.000 0.030 0.000 0.877 444 D CB 1.765 42.595 40.800 0.050 0.000 1.187 444 D HN 0.839 nan 8.370 nan 0.000 0.451 445 K N 1.503 121.936 120.400 0.055 0.000 2.228 445 K HA -0.205 4.114 4.320 -0.000 0.000 0.205 445 K C 1.538 178.235 176.600 0.161 0.000 1.045 445 K CA 1.258 57.610 56.287 0.109 0.000 0.931 445 K CB 0.177 32.721 32.500 0.074 0.000 0.727 445 K HN 0.263 nan 8.250 nan 0.000 0.458 446 S N 0.876 116.645 115.700 0.115 0.000 2.365 446 S HA -0.189 4.281 4.470 -0.000 0.000 0.221 446 S C 1.771 176.457 174.600 0.143 0.000 1.037 446 S CA 1.587 59.850 58.200 0.105 0.000 1.060 446 S CB -0.426 62.821 63.200 0.078 0.000 0.974 446 S HN 0.426 nan 8.310 nan 0.000 0.427 447 R N 0.025 120.634 120.500 0.181 0.000 2.117 447 R HA -0.133 4.207 4.340 -0.000 0.000 0.243 447 R C 2.224 178.738 176.300 0.355 0.000 1.143 447 R CA 1.596 57.849 56.100 0.255 0.000 0.968 447 R CB -0.376 30.130 30.300 0.343 0.000 0.863 447 R HN 0.622 nan 8.270 nan 0.000 0.444 448 W N 1.822 123.202 121.300 0.133 0.000 2.353 448 W HA -0.232 4.428 4.660 -0.000 0.000 0.319 448 W C 1.691 178.271 176.519 0.101 0.000 1.207 448 W CA 1.084 58.501 57.345 0.119 0.000 1.291 448 W CB -0.032 29.433 29.460 0.008 0.000 1.159 448 W HN 0.121 nan 8.180 nan 0.000 0.478 449 Q N 0.501 120.353 119.800 0.087 0.000 2.112 449 Q HA -0.267 4.073 4.340 -0.000 0.000 0.206 449 Q C 1.955 177.907 176.000 -0.079 0.000 0.987 449 Q CA 1.845 57.623 55.803 -0.041 0.000 0.858 449 Q CB -1.003 27.764 28.738 0.048 0.000 0.905 449 Q HN 0.597 nan 8.270 nan 0.000 0.420 450 Q N -0.736 119.054 119.800 -0.016 0.000 2.561 450 Q HA 0.006 4.346 4.340 -0.000 0.000 0.217 450 Q C 0.808 176.765 176.000 -0.071 0.000 0.980 450 Q CA 0.566 56.353 55.803 -0.025 0.000 0.927 450 Q CB -0.003 28.744 28.738 0.015 0.000 0.980 450 Q HN 0.600 nan 8.270 nan 0.000 0.525 451 G N 1.294 110.007 108.800 -0.145 0.000 2.143 451 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.249 451 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.249 451 G C -0.316 174.513 174.900 -0.120 0.000 0.981 451 G CA 0.042 45.033 45.100 -0.182 0.000 0.665 451 G HN 0.442 nan 8.290 nan 0.000 0.528 452 N N -0.443 118.222 118.700 -0.058 0.000 2.454 452 N HA 0.337 5.077 4.740 -0.000 0.000 0.254 452 N C 0.239 175.647 175.510 -0.171 0.000 1.228 452 N CA -0.028 52.944 53.050 -0.131 0.000 0.900 452 N CB 1.147 39.534 38.487 -0.167 0.000 1.089 452 N HN 0.083 nan 8.380 nan 0.000 0.449 453 V N 3.360 123.120 119.914 -0.256 0.000 2.439 453 V HA 0.364 4.484 4.120 -0.000 0.000 0.282 453 V C -0.412 175.510 176.094 -0.286 0.000 1.039 453 V CA -0.266 61.964 62.300 -0.116 0.000 0.913 453 V CB 0.139 31.940 31.823 -0.036 0.000 0.983 453 V HN 0.442 nan 8.190 nan 0.000 0.460 454 F N 1.608 121.696 119.950 0.230 0.000 2.538 454 F HA 0.717 5.244 4.527 -0.000 0.000 0.325 454 F C 0.534 176.502 175.800 0.281 0.000 1.066 454 F CA -0.481 57.695 58.000 0.293 0.000 0.946 454 F CB 2.192 41.425 39.000 0.387 0.000 1.199 454 F HN 0.353 nan 8.300 nan 0.000 0.473 455 S N 0.320 116.268 115.700 0.413 0.000 2.548 455 S HA 0.429 4.899 4.470 -0.000 0.000 0.286 455 S C -1.540 172.987 174.600 -0.121 0.000 1.098 455 S CA -0.695 57.591 58.200 0.142 0.000 0.930 455 S CB 1.886 65.125 63.200 0.065 0.000 1.070 455 S HN 0.795 nan 8.310 nan 0.000 0.480 456 c N 3.491 121.814 118.600 -0.462 0.000 2.239 456 c HA 0.705 5.275 4.570 -0.000 0.000 0.325 456 c C 0.264 174.017 174.090 -0.563 0.000 1.231 456 c CA -0.299 55.464 56.329 -0.943 0.000 1.652 456 c CB -1.154 40.718 42.510 -1.064 0.000 2.284 456 c HN 0.821 nan 8.230 nan 0.000 0.499 457 S N 3.964 119.352 115.700 -0.520 0.000 2.508 457 S HA 0.711 5.181 4.470 -0.000 0.000 0.284 457 S C -0.526 173.761 174.600 -0.522 0.000 1.192 457 S CA -0.505 57.406 58.200 -0.481 0.000 1.070 457 S CB 1.464 64.474 63.200 -0.318 0.000 1.004 457 S HN 0.711 nan 8.310 nan 0.000 0.493 458 V N 4.115 123.664 119.914 -0.608 0.000 2.709 458 V HA 0.487 4.607 4.120 -0.000 0.000 0.308 458 V C -0.672 175.151 176.094 -0.453 0.000 1.062 458 V CA -0.561 61.462 62.300 -0.461 0.000 0.901 458 V CB 1.830 33.417 31.823 -0.394 0.000 1.003 458 V HN 0.857 nan 8.190 nan 0.000 0.425 459 M N 4.584 124.036 119.600 -0.246 0.000 2.134 459 M HA 0.570 5.050 4.480 -0.000 0.000 0.310 459 M C -1.132 175.170 176.300 0.003 0.000 0.966 459 M CA -0.325 54.936 55.300 -0.065 0.000 0.922 459 M CB 1.568 34.184 32.600 0.026 0.000 1.537 459 M HN 0.876 nan 8.290 nan 0.000 0.424 460 H N 0.699 119.736 119.070 -0.055 0.000 2.996 460 H HA 0.189 4.745 4.556 -0.000 0.000 0.368 460 H C 0.415 175.777 175.328 0.057 0.000 1.185 460 H CA -0.468 55.554 56.048 -0.044 0.000 1.160 460 H CB 1.709 31.411 29.762 -0.099 0.000 1.820 460 H HN 0.783 nan 8.280 nan 0.000 0.547 461 E N 2.724 122.715 120.200 -0.348 0.000 2.085 461 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 461 E C 1.299 178.020 176.600 0.201 0.000 0.994 461 E CA 1.270 57.597 56.400 -0.123 0.000 0.801 461 E CB -0.124 29.435 29.700 -0.235 0.000 0.743 461 E HN 0.479 nan 8.360 nan 0.000 0.453 462 A N 1.136 124.134 122.820 0.298 0.000 2.239 462 A HA 0.146 4.466 4.320 -0.000 0.000 0.209 462 A C 1.095 178.850 177.584 0.284 0.000 1.171 462 A CA 0.092 52.345 52.037 0.360 0.000 0.768 462 A CB -0.414 18.855 19.000 0.448 0.000 0.790 462 A HN 0.179 nan 8.150 nan 0.000 0.478 463 L N -0.132 121.259 121.223 0.279 0.000 2.418 463 L HA 0.162 4.502 4.340 -0.000 0.000 0.265 463 L C 0.983 177.909 176.870 0.094 0.000 1.143 463 L CA -0.769 54.169 54.840 0.163 0.000 0.809 463 L CB 0.466 42.602 42.059 0.128 0.000 1.124 463 L HN 0.404 nan 8.230 nan 0.000 0.456 464 H N 4.338 123.413 119.070 0.008 0.000 3.046 464 H HA -0.046 4.510 4.556 -0.000 0.000 0.303 464 H C 0.315 175.586 175.328 -0.095 0.000 1.002 464 H CA 1.010 57.030 56.048 -0.047 0.000 1.460 464 H CB 0.156 29.902 29.762 -0.025 0.000 1.493 464 H HN 0.722 nan 8.280 nan 0.000 0.559 465 N N 3.640 121.911 118.700 -0.715 0.000 2.828 465 N HA -0.252 4.487 4.740 -0.000 0.000 0.248 465 N C -0.383 174.941 175.510 -0.311 0.000 1.044 465 N CA 0.791 53.494 53.050 -0.579 0.000 0.851 465 N CB -1.234 37.073 38.487 -0.300 0.000 1.136 465 N HN 0.931 nan 8.380 nan 0.000 0.572 466 H N -4.196 114.878 119.070 0.008 0.000 3.179 466 H HA -0.241 4.315 4.556 -0.000 0.000 0.250 466 H C -0.507 174.907 175.328 0.143 0.000 1.142 466 H CA 1.554 57.640 56.048 0.063 0.000 1.165 466 H CB -1.344 28.441 29.762 0.038 0.000 1.253 466 H HN 0.585 nan 8.280 nan 0.000 0.325 467 Y N -0.293 120.038 120.300 0.052 0.000 2.479 467 Y HA 0.526 5.076 4.550 -0.000 0.000 0.338 467 Y C -0.581 175.321 175.900 0.002 0.000 1.055 467 Y CA -0.216 57.896 58.100 0.020 0.000 1.023 467 Y CB 2.438 40.905 38.460 0.011 0.000 1.287 467 Y HN 0.142 nan 8.280 nan 0.000 0.447 468 T N 4.444 118.865 114.554 -0.222 0.000 2.853 468 T HA 0.561 4.911 4.350 -0.000 0.000 0.311 468 T C -1.841 172.691 174.700 -0.280 0.000 1.307 468 T CA -0.520 61.503 62.100 -0.129 0.000 1.019 468 T CB 1.573 70.378 68.868 -0.106 0.000 1.264 468 T HN 0.721 nan 8.240 nan 0.000 0.497 469 Q N 1.765 121.483 119.800 -0.137 0.000 2.456 469 Q HA 0.636 4.976 4.340 -0.000 0.000 0.283 469 Q C -1.396 174.538 176.000 -0.111 0.000 1.084 469 Q CA -1.288 54.425 55.803 -0.151 0.000 0.801 469 Q CB 2.452 31.166 28.738 -0.039 0.000 1.434 469 Q HN 0.256 nan 8.270 nan 0.000 0.419 470 K N 1.171 121.494 120.400 -0.127 0.000 2.565 470 K HA 0.458 4.778 4.320 -0.000 0.000 0.249 470 K C -1.094 175.497 176.600 -0.015 0.000 0.958 470 K CA -0.368 55.879 56.287 -0.068 0.000 0.806 470 K CB 2.392 34.834 32.500 -0.095 0.000 1.194 470 K HN 0.572 nan 8.250 nan 0.000 0.434 471 S N 1.524 117.255 115.700 0.052 0.000 2.645 471 S HA 0.567 5.037 4.470 -0.000 0.000 0.266 471 S C -0.551 174.167 174.600 0.197 0.000 1.258 471 S CA -0.526 57.748 58.200 0.123 0.000 0.990 471 S CB 0.575 63.837 63.200 0.104 0.000 0.967 471 S HN 0.462 nan 8.310 nan 0.000 0.556 472 L N 1.730 123.139 121.223 0.310 0.000 2.565 472 L HA 0.626 4.966 4.340 -0.000 0.000 0.261 472 L C -0.986 176.202 176.870 0.529 0.000 0.932 472 L CA 0.238 55.330 54.840 0.420 0.000 0.878 472 L CB 1.579 43.940 42.059 0.504 0.000 1.333 472 L HN 0.839 nan 8.230 nan 0.000 0.409 473 S N 3.154 119.103 115.700 0.415 0.000 2.611 473 S HA 0.674 5.144 4.470 -0.000 0.000 0.268 473 S C -1.180 173.238 174.600 -0.304 0.000 1.156 473 S CA -0.926 57.317 58.200 0.072 0.000 0.817 473 S CB 0.935 64.147 63.200 0.020 0.000 1.122 473 S HN 0.845 nan 8.310 nan 0.000 0.466 474 L N 2.039 122.751 121.223 -0.851 0.000 2.474 474 L HA 0.697 5.037 4.340 -0.000 0.000 0.259 474 L C 0.680 177.402 176.870 -0.247 0.000 1.232 474 L CA 2.183 56.607 54.840 -0.693 0.000 0.821 474 L CB 0.598 42.141 42.059 -0.860 0.000 1.108 474 L HN 1.615 nan 8.230 nan 0.000 0.495 475 S N 0.000 115.619 115.700 -0.134 0.000 2.498 475 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 475 S CA 0.000 58.166 58.200 -0.056 0.000 1.107 475 S CB 0.000 63.158 63.200 -0.070 0.000 0.593 475 S HN 0.000 nan 8.310 nan 0.000 0.517