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 2ec0_1_D DATA FIRST_RESID 1 DATA SEQUENCE GLIVDTRDVE ERVHVMRKTK LAPTVAHGVF NPEFGPAALS NKDPRLNEGV DATA SEQUENCE VLDEVIFSKH KGDTKMSAED KALFRRCAAD YASRLHSVLG TANAPLSIYE DATA SEQUENCE AIKGVDGLDA MEPDTAPGLP WALQGKRRGA LIDFENGTVG PEVEAALKLM DATA SEQUENCE EKREYKFACQ TFLKDEIRPM EKVRAGKTRI VDVLPVEHIL YTRMMIGRFC DATA SEQUENCE AQMHSNNGPQ IGSAVGCNPD VDWQRFGTHF AQYRNVWDVD YSAFDANHCS DATA SEQUENCE DAMNIMFEEV FRTEFGFHPN AEWILKTLVN TEHAYENKRI TVEGGMPSGC DATA SEQUENCE SATSIINTIL NNIYVLYALR RHYEGVELDT YTMISYGDDI VVASDYDLDF DATA SEQUENCE EALKPHFKSL GQTITPADKS DKGFVLGHSI TDVTFLKRHF HMDYGTGFYK DATA SEQUENCE PVMASKTLEA ILSFARRGTI QEKLISVAGL AVHSGPDEYR RLFEPFQGLF DATA SEQUENCE EIPSYRSLYL RWVNAVCGDA 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.935 174.900 0.058 0.000 0.946 1 G CA 0.000 45.182 45.100 0.136 0.000 0.502 2 L N 0.635 121.829 121.223 -0.050 0.000 2.376 2 L HA 0.722 5.062 4.340 -0.000 0.000 0.275 2 L C -0.580 176.223 176.870 -0.111 0.000 0.987 2 L CA -0.711 54.101 54.840 -0.047 0.000 0.828 2 L CB 1.333 43.371 42.059 -0.035 0.000 1.249 2 L HN 0.462 nan 8.230 nan 0.000 0.409 3 I N 6.122 126.637 120.570 -0.092 0.000 2.379 3 I HA 0.111 4.281 4.170 -0.000 0.000 0.290 3 I C 1.136 177.205 176.117 -0.080 0.000 1.063 3 I CA -0.160 61.070 61.300 -0.116 0.000 1.351 3 I CB 1.184 39.130 38.000 -0.091 0.000 1.410 3 I HN 0.675 nan 8.210 nan 0.000 0.505 4 V N 0.997 120.859 119.914 -0.086 0.000 3.431 4 V HA 0.320 4.440 4.120 -0.000 0.000 0.253 4 V C 0.130 176.187 176.094 -0.062 0.000 1.184 4 V CA 0.536 62.797 62.300 -0.065 0.000 1.104 4 V CB 0.244 32.031 31.823 -0.061 0.000 0.799 4 V HN 0.754 nan 8.190 nan 0.000 0.462 5 D N -0.170 120.185 120.400 -0.075 0.000 2.931 5 D HA 0.499 5.139 4.640 -0.000 0.000 0.215 5 D C -1.153 175.097 176.300 -0.082 0.000 1.297 5 D CA 0.120 54.078 54.000 -0.069 0.000 0.892 5 D CB 2.107 42.868 40.800 -0.065 0.000 1.642 5 D HN 0.216 nan 8.370 nan 0.000 0.560 6 T N 3.446 117.957 114.554 -0.072 0.000 2.864 6 T HA 0.635 4.985 4.350 -0.000 0.000 0.299 6 T C -0.332 174.335 174.700 -0.055 0.000 1.011 6 T CA -0.925 61.128 62.100 -0.077 0.000 0.975 6 T CB 0.783 69.602 68.868 -0.081 0.000 0.962 6 T HN 0.475 nan 8.240 nan 0.000 0.448 7 R N 0.792 121.260 120.500 -0.053 0.000 2.795 7 R HA 0.774 5.114 4.340 -0.000 0.000 0.275 7 R C -1.795 174.484 176.300 -0.035 0.000 0.981 7 R CA -1.068 55.007 56.100 -0.040 0.000 0.917 7 R CB 1.374 31.649 30.300 -0.042 0.000 1.202 7 R HN 0.208 nan 8.270 nan 0.000 0.469 8 D N 2.035 122.417 120.400 -0.029 0.000 2.349 8 D HA 0.298 4.938 4.640 -0.000 0.000 0.232 8 D C -0.787 175.495 176.300 -0.031 0.000 1.071 8 D CA -0.457 53.526 54.000 -0.028 0.000 0.832 8 D CB 2.207 42.993 40.800 -0.023 0.000 1.086 8 D HN 0.251 nan 8.370 nan 0.000 0.504 9 V N 2.058 121.952 119.914 -0.035 0.000 2.769 9 V HA 0.112 4.232 4.120 -0.000 0.000 0.312 9 V C 1.051 177.122 176.094 -0.038 0.000 1.058 9 V CA -0.459 61.821 62.300 -0.035 0.000 0.952 9 V CB 2.197 33.999 31.823 -0.036 0.000 1.019 9 V HN 0.384 nan 8.190 nan 0.000 0.445 10 E N 2.058 122.239 120.200 -0.032 0.000 2.106 10 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 10 E C 0.717 177.297 176.600 -0.034 0.000 0.984 10 E CA 0.584 56.966 56.400 -0.030 0.000 0.806 10 E CB 0.020 29.707 29.700 -0.021 0.000 0.750 10 E HN 0.764 nan 8.360 nan 0.000 0.458 11 E N 2.137 122.318 120.200 -0.032 0.000 2.168 11 E HA -0.052 4.298 4.350 -0.000 0.000 0.254 11 E C -0.222 176.348 176.600 -0.049 0.000 1.228 11 E CA 0.112 56.493 56.400 -0.031 0.000 0.956 11 E CB -0.161 29.523 29.700 -0.026 0.000 1.031 11 E HN -0.079 nan 8.360 nan 0.000 0.441 12 R N 3.008 123.469 120.500 -0.065 0.000 2.459 12 R HA 0.368 4.708 4.340 -0.000 0.000 0.281 12 R C -1.008 175.218 176.300 -0.123 0.000 1.050 12 R CA -0.655 55.363 56.100 -0.137 0.000 1.055 12 R CB 0.943 31.111 30.300 -0.219 0.000 1.045 12 R HN 0.368 nan 8.270 nan 0.000 0.495 13 V N 5.100 124.913 119.914 -0.168 0.000 2.284 13 V HA 0.189 4.309 4.120 -0.000 0.000 0.274 13 V C -0.215 175.775 176.094 -0.173 0.000 1.023 13 V CA -0.768 61.475 62.300 -0.094 0.000 0.808 13 V CB 0.730 32.546 31.823 -0.012 0.000 1.035 13 V HN 0.709 nan 8.190 nan 0.000 0.445 14 H N 3.662 122.686 119.070 -0.077 0.000 2.767 14 H HA 0.281 4.837 4.556 -0.000 0.000 0.316 14 H C 0.654 175.885 175.328 -0.162 0.000 1.059 14 H CA 0.456 56.437 56.048 -0.112 0.000 1.461 14 H CB 2.025 31.742 29.762 -0.074 0.000 1.475 14 H HN 0.601 nan 8.280 nan 0.000 0.531 15 V N 0.438 120.309 119.914 -0.072 0.000 3.426 15 V HA -0.016 4.104 4.120 -0.000 0.000 0.279 15 V C 2.000 178.027 176.094 -0.112 0.000 1.544 15 V CA -0.094 62.073 62.300 -0.221 0.000 1.017 15 V CB -0.129 31.482 31.823 -0.353 0.000 0.821 15 V HN 0.546 nan 8.190 nan 0.000 0.432 16 M N 0.807 120.397 119.600 -0.016 0.000 5.990 16 M HA -0.291 4.189 4.480 -0.000 0.000 0.330 16 M C 1.001 177.292 176.300 -0.014 0.000 0.855 16 M CA 2.694 57.996 55.300 0.003 0.000 0.997 16 M CB -0.890 31.730 32.600 0.033 0.000 1.275 16 M HN 0.465 nan 8.290 nan 0.000 0.885 17 R N 0.454 120.943 120.500 -0.018 0.000 1.082 17 R HA -0.103 4.237 4.340 -0.000 0.000 0.424 17 R C -0.578 175.718 176.300 -0.007 0.000 1.359 17 R CA 0.297 56.389 56.100 -0.015 0.000 1.252 17 R CB -0.382 29.908 30.300 -0.017 0.000 3.555 17 R HN 0.453 nan 8.270 nan 0.000 0.502 18 K N 0.848 121.245 120.400 -0.004 0.000 2.102 18 K HA 0.218 4.538 4.320 -0.000 0.000 0.244 18 K C 0.252 176.853 176.600 0.002 0.000 1.021 18 K CA -0.089 56.197 56.287 -0.001 0.000 0.913 18 K CB 1.009 33.509 32.500 0.000 0.000 1.062 18 K HN 0.468 nan 8.250 nan 0.000 0.485 19 T N 0.575 115.129 114.554 -0.000 0.000 2.898 19 T HA 0.110 4.460 4.350 -0.000 0.000 0.301 19 T C 0.543 175.251 174.700 0.012 0.000 1.049 19 T CA 0.107 62.207 62.100 -0.000 0.000 1.095 19 T CB 0.503 69.362 68.868 -0.016 0.000 0.976 19 T HN 0.548 nan 8.240 nan 0.000 0.539 20 K N 2.592 123.003 120.400 0.018 0.000 2.374 20 K HA 0.278 4.598 4.320 -0.000 0.000 0.196 20 K C -0.104 176.520 176.600 0.039 0.000 1.023 20 K CA 0.032 56.337 56.287 0.029 0.000 1.103 20 K CB 0.258 32.777 32.500 0.032 0.000 0.848 20 K HN 0.481 nan 8.250 nan 0.000 0.528 21 L N 1.789 123.033 121.223 0.036 0.000 2.259 21 L HA 0.313 4.653 4.340 -0.000 0.000 0.288 21 L C -0.138 176.807 176.870 0.126 0.000 1.051 21 L CA -0.701 54.182 54.840 0.072 0.000 0.824 21 L CB 1.206 43.275 42.059 0.017 0.000 1.206 21 L HN -0.022 nan 8.230 nan 0.000 0.429 22 A N 5.744 128.648 122.820 0.139 0.000 2.303 22 A HA 0.800 5.120 4.320 -0.000 0.000 0.317 22 A C -2.442 175.242 177.584 0.166 0.000 1.149 22 A CA -1.672 50.443 52.037 0.130 0.000 0.822 22 A CB 0.466 19.511 19.000 0.075 0.000 1.131 22 A HN 0.376 nan 8.150 nan 0.000 0.493 23 P HA 0.220 nan 4.420 nan 0.000 0.269 23 P C 0.232 177.479 177.300 -0.089 0.000 1.215 23 P CA 0.159 63.172 63.100 -0.145 0.000 0.780 23 P CB 0.649 32.176 31.700 -0.289 0.000 0.898 24 T N -2.337 112.142 114.554 -0.125 0.000 2.937 24 T HA 0.183 4.533 4.350 -0.000 0.000 0.283 24 T C 1.028 175.655 174.700 -0.122 0.000 1.012 24 T CA -0.642 61.435 62.100 -0.039 0.000 0.997 24 T CB 0.717 69.638 68.868 0.088 0.000 1.136 24 T HN 0.137 nan 8.240 nan 0.000 0.551 25 V N 0.731 120.548 119.914 -0.162 0.000 2.982 25 V HA 0.000 4.120 4.120 -0.000 0.000 0.265 25 V C 2.322 178.139 176.094 -0.462 0.000 1.122 25 V CA 2.323 64.457 62.300 -0.278 0.000 1.143 25 V CB -1.456 30.215 31.823 -0.254 0.000 0.726 25 V HN 1.017 nan 8.190 nan 0.000 0.507 26 A N -1.561 120.927 122.820 -0.554 0.000 2.081 26 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 26 A C 2.135 179.438 177.584 -0.467 0.000 1.158 26 A CA 0.905 52.538 52.037 -0.673 0.000 0.724 26 A CB -0.795 17.878 19.000 -0.544 0.000 0.826 26 A HN 0.765 nan 8.150 nan 0.000 0.463 27 H N 0.445 119.303 119.070 -0.353 0.000 2.389 27 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 27 H C 2.097 177.299 175.328 -0.209 0.000 1.081 27 H CA 1.666 57.542 56.048 -0.286 0.000 1.345 27 H CB -0.312 29.219 29.762 -0.385 0.000 1.393 27 H HN 0.403 nan 8.280 nan 0.000 0.520 28 G N -0.097 108.651 108.800 -0.086 0.000 2.535 28 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.218 28 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.218 28 G C 1.475 176.257 174.900 -0.196 0.000 1.122 28 G CA 0.987 46.027 45.100 -0.100 0.000 0.769 28 G HN 0.390 nan 8.290 nan 0.000 0.549 29 V N -1.162 118.554 119.914 -0.329 0.000 3.151 29 V HA 0.262 4.382 4.120 -0.000 0.000 0.241 29 V C 1.880 177.807 176.094 -0.277 0.000 1.173 29 V CA 0.260 62.331 62.300 -0.382 0.000 1.154 29 V CB -0.328 31.126 31.823 -0.616 0.000 0.898 29 V HN 0.181 nan 8.190 nan 0.000 0.473 30 F N 0.810 120.645 119.950 -0.191 0.000 2.619 30 F HA 0.256 4.783 4.527 -0.000 0.000 0.293 30 F C 1.089 176.780 175.800 -0.182 0.000 1.119 30 F CA -0.659 57.242 58.000 -0.166 0.000 1.445 30 F CB -1.342 37.566 39.000 -0.153 0.000 1.119 30 F HN 0.246 nan 8.300 nan 0.000 0.573 31 N N 0.672 119.281 118.700 -0.153 0.000 2.669 31 N HA -0.168 4.572 4.740 -0.000 0.000 0.266 31 N C -2.735 172.730 175.510 -0.075 0.000 1.024 31 N CA -0.054 52.860 53.050 -0.226 0.000 0.766 31 N CB -1.222 37.202 38.487 -0.105 0.000 0.898 31 N HN 0.162 nan 8.380 nan 0.000 0.548 32 P HA 0.086 nan 4.420 nan 0.000 0.279 32 P C -0.090 177.355 177.300 0.242 0.000 1.239 32 P CA -0.017 63.202 63.100 0.198 0.000 0.789 32 P CB 0.818 32.711 31.700 0.321 0.000 0.933 33 E N 2.021 122.330 120.200 0.182 0.000 2.780 33 E HA 0.140 4.490 4.350 -0.000 0.000 0.234 33 E C -0.525 175.922 176.600 -0.255 0.000 1.425 33 E CA 0.398 56.773 56.400 -0.041 0.000 1.481 33 E CB -1.044 28.563 29.700 -0.155 0.000 1.357 33 E HN 0.407 nan 8.360 nan 0.000 0.431 34 F N -0.945 119.089 119.950 0.140 0.000 2.613 34 F HA 0.671 5.198 4.527 -0.000 0.000 0.310 34 F C 0.767 176.680 175.800 0.188 0.000 1.085 34 F CA -0.811 57.271 58.000 0.137 0.000 0.945 34 F CB 2.460 41.562 39.000 0.170 0.000 1.298 34 F HN -0.058 nan 8.300 nan 0.000 0.455 35 G N 1.033 109.906 108.800 0.120 0.000 2.559 35 G HA2 0.582 4.542 3.960 -0.000 0.000 0.291 35 G HA3 0.582 4.542 3.960 -0.000 0.000 0.291 35 G C -3.453 171.239 174.900 -0.347 0.000 1.424 35 G CA -1.319 43.652 45.100 -0.215 0.000 0.786 35 G HN 0.229 nan 8.290 nan 0.000 0.485 36 P HA 0.429 nan 4.420 nan 0.000 0.275 36 P C 0.259 177.478 177.300 -0.135 0.000 1.227 36 P CA 0.110 63.046 63.100 -0.274 0.000 0.781 36 P CB 1.286 32.846 31.700 -0.234 0.000 0.906 37 A N 3.053 125.815 122.820 -0.097 0.000 2.483 37 A HA 0.419 4.739 4.320 -0.000 0.000 0.238 37 A C 0.668 178.221 177.584 -0.051 0.000 1.070 37 A CA -0.056 51.943 52.037 -0.063 0.000 0.770 37 A CB -0.453 18.515 19.000 -0.053 0.000 1.008 37 A HN 0.639 nan 8.150 nan 0.000 0.497 38 A N 1.384 124.178 122.820 -0.042 0.000 2.450 38 A HA 0.514 4.834 4.320 -0.000 0.000 0.255 38 A C 0.580 178.150 177.584 -0.024 0.000 1.096 38 A CA -0.231 51.788 52.037 -0.030 0.000 0.778 38 A CB -0.175 18.809 19.000 -0.026 0.000 1.031 38 A HN 0.897 nan 8.150 nan 0.000 0.494 39 L N 1.767 122.982 121.223 -0.014 0.000 2.817 39 L HA 0.219 4.559 4.340 -0.000 0.000 0.248 39 L C 0.920 177.796 176.870 0.010 0.000 1.133 39 L CA 0.241 55.079 54.840 -0.003 0.000 0.935 39 L CB 0.364 42.421 42.059 -0.004 0.000 1.266 39 L HN 0.623 nan 8.230 nan 0.000 0.535 40 S N 0.032 115.736 115.700 0.007 0.000 2.536 40 S HA 0.295 4.765 4.470 -0.000 0.000 0.298 40 S C 0.817 175.425 174.600 0.014 0.000 1.083 40 S CA -0.749 57.459 58.200 0.014 0.000 0.995 40 S CB 1.107 64.311 63.200 0.008 0.000 1.058 40 S HN 0.260 nan 8.310 nan 0.000 0.488 41 N N 2.867 121.580 118.700 0.021 0.000 2.512 41 N HA -0.095 4.645 4.740 -0.000 0.000 0.183 41 N C 0.180 175.697 175.510 0.012 0.000 1.073 41 N CA 0.434 53.496 53.050 0.021 0.000 0.911 41 N CB -0.306 38.200 38.487 0.032 0.000 0.964 41 N HN 0.639 nan 8.380 nan 0.000 0.447 42 K N 0.564 120.970 120.400 0.010 0.000 2.969 42 K HA 0.241 4.561 4.320 -0.000 0.000 0.222 42 K C -0.454 176.148 176.600 0.003 0.000 1.172 42 K CA -0.525 55.766 56.287 0.006 0.000 1.192 42 K CB 0.421 32.925 32.500 0.006 0.000 1.111 42 K HN -0.133 nan 8.250 nan 0.000 0.457 43 D N 2.205 122.606 120.400 0.001 0.000 2.348 43 D HA 0.082 4.722 4.640 -0.000 0.000 0.253 43 D C -1.563 174.736 176.300 -0.001 0.000 1.161 43 D CA -2.063 51.936 54.000 -0.001 0.000 0.876 43 D CB 1.604 42.401 40.800 -0.005 0.000 1.160 43 D HN 0.029 nan 8.370 nan 0.000 0.459 44 P HA -0.009 nan 4.420 nan 0.000 0.223 44 P C 0.926 178.226 177.300 0.001 0.000 1.151 44 P CA 0.755 63.856 63.100 0.001 0.000 0.787 44 P CB 0.324 32.026 31.700 0.003 0.000 0.788 45 R N -1.146 119.354 120.500 -0.000 0.000 2.236 45 R HA 0.124 4.464 4.340 -0.000 0.000 0.208 45 R C 0.889 177.185 176.300 -0.006 0.000 1.036 45 R CA 0.031 56.130 56.100 -0.001 0.000 1.001 45 R CB -0.483 29.817 30.300 -0.000 0.000 0.896 45 R HN 0.254 nan 8.270 nan 0.000 0.464 46 L N 1.893 123.112 121.223 -0.008 0.000 2.467 46 L HA -0.001 4.339 4.340 -0.000 0.000 0.270 46 L C 0.607 177.471 176.870 -0.009 0.000 1.205 46 L CA -0.198 54.635 54.840 -0.011 0.000 0.828 46 L CB 0.158 42.211 42.059 -0.010 0.000 1.101 46 L HN 0.139 nan 8.230 nan 0.000 0.479 47 N N 1.055 119.748 118.700 -0.012 0.000 2.354 47 N HA 0.055 4.795 4.740 -0.000 0.000 0.246 47 N C -0.284 175.221 175.510 -0.008 0.000 1.285 47 N CA -0.314 52.730 53.050 -0.011 0.000 0.925 47 N CB 0.463 38.942 38.487 -0.014 0.000 1.174 47 N HN 0.414 nan 8.380 nan 0.000 0.478 48 E N 0.066 120.262 120.200 -0.006 0.000 2.259 48 E HA 0.278 4.628 4.350 -0.000 0.000 0.281 48 E C 0.443 177.040 176.600 -0.005 0.000 1.037 48 E CA -0.096 56.301 56.400 -0.004 0.000 0.854 48 E CB 0.521 30.219 29.700 -0.003 0.000 1.051 48 E HN 0.768 nan 8.360 nan 0.000 0.409 49 G N 1.886 110.684 108.800 -0.003 0.000 2.248 49 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.252 49 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.252 49 G C -0.348 174.550 174.900 -0.003 0.000 1.085 49 G CA -0.016 45.083 45.100 -0.002 0.000 0.845 49 G HN 0.342 nan 8.290 nan 0.000 0.494 50 V N -0.251 119.661 119.914 -0.003 0.000 2.612 50 V HA 0.620 4.740 4.120 -0.000 0.000 0.301 50 V C 0.043 176.136 176.094 -0.001 0.000 1.059 50 V CA -0.797 61.500 62.300 -0.006 0.000 0.886 50 V CB 2.208 34.023 31.823 -0.012 0.000 1.007 50 V HN 0.462 nan 8.190 nan 0.000 0.426 51 V N 5.474 125.390 119.914 0.003 0.000 2.581 51 V HA 0.381 4.501 4.120 -0.000 0.000 0.303 51 V C 0.796 176.893 176.094 0.004 0.000 1.041 51 V CA -0.343 61.964 62.300 0.012 0.000 0.907 51 V CB 1.834 33.673 31.823 0.026 0.000 0.994 51 V HN 0.754 nan 8.190 nan 0.000 0.442 52 L N 2.629 123.856 121.223 0.008 0.000 1.976 52 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 52 L C 2.054 178.904 176.870 -0.035 0.000 1.071 52 L CA 2.006 56.837 54.840 -0.015 0.000 0.746 52 L CB -0.437 41.626 42.059 0.007 0.000 0.890 52 L HN 0.776 nan 8.230 nan 0.000 0.432 53 D N -0.647 119.779 120.400 0.044 0.000 2.265 53 D HA -0.223 4.417 4.640 -0.000 0.000 0.208 53 D C 1.925 178.291 176.300 0.110 0.000 0.977 53 D CA 1.390 55.447 54.000 0.095 0.000 0.871 53 D CB -0.030 40.938 40.800 0.280 0.000 0.925 53 D HN 0.707 nan 8.370 nan 0.000 0.485 54 E N 0.508 120.749 120.200 0.069 0.000 2.122 54 E HA -0.067 4.282 4.350 -0.000 0.000 0.190 54 E C 1.954 178.565 176.600 0.018 0.000 0.977 54 E CA 0.565 57.008 56.400 0.072 0.000 0.820 54 E CB -0.214 29.515 29.700 0.050 0.000 0.770 54 E HN 0.043 nan 8.360 nan 0.000 0.462 55 V N 1.127 121.017 119.914 -0.040 0.000 2.591 55 V HA -0.143 3.977 4.120 -0.000 0.000 0.249 55 V C 2.287 178.288 176.094 -0.155 0.000 1.053 55 V CA 0.654 62.909 62.300 -0.075 0.000 1.068 55 V CB -0.337 31.444 31.823 -0.070 0.000 0.689 55 V HN 0.257 nan 8.190 nan 0.000 0.462 56 I N 0.320 120.731 120.570 -0.264 0.000 2.151 56 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 56 I C 2.038 177.812 176.117 -0.572 0.000 1.080 56 I CA 1.941 62.926 61.300 -0.524 0.000 1.339 56 I CB -1.064 36.408 38.000 -0.878 0.000 1.039 56 I HN 0.298 nan 8.210 nan 0.000 0.409 57 F N 0.260 120.122 119.950 -0.145 0.000 2.693 57 F HA 0.060 4.587 4.527 -0.000 0.000 0.303 57 F C 2.256 177.989 175.800 -0.111 0.000 1.097 57 F CA 0.195 58.121 58.000 -0.124 0.000 1.330 57 F CB -0.374 38.607 39.000 -0.032 0.000 1.067 57 F HN 0.027 nan 8.300 nan 0.000 0.565 58 S N 0.493 116.195 115.700 0.004 0.000 2.603 58 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 58 S C 1.719 176.287 174.600 -0.054 0.000 0.972 58 S CA 0.523 58.720 58.200 -0.005 0.000 0.935 58 S CB -0.618 62.569 63.200 -0.021 0.000 0.769 58 S HN 0.626 nan 8.310 nan 0.000 0.536 59 K N 0.512 120.822 120.400 -0.150 0.000 2.305 59 K HA 0.030 4.350 4.320 -0.000 0.000 0.199 59 K C -0.058 176.441 176.600 -0.168 0.000 1.047 59 K CA 0.440 56.611 56.287 -0.193 0.000 0.976 59 K CB -0.538 31.799 32.500 -0.272 0.000 0.765 59 K HN 0.520 nan 8.250 nan 0.000 0.474 60 H N 2.050 121.130 119.070 0.017 0.000 3.205 60 H HA 0.160 4.716 4.556 -0.000 0.000 0.262 60 H C -0.413 174.916 175.328 0.001 0.000 1.333 60 H CA -0.252 55.800 56.048 0.007 0.000 1.499 60 H CB 0.520 30.288 29.762 0.010 0.000 1.609 60 H HN 0.141 nan 8.280 nan 0.000 0.498 61 K N 2.634 123.089 120.400 0.091 0.000 2.593 61 K HA 0.264 4.584 4.320 -0.000 0.000 0.208 61 K C 0.135 176.755 176.600 0.033 0.000 1.051 61 K CA -0.111 56.204 56.287 0.047 0.000 1.111 61 K CB 1.076 33.588 32.500 0.021 0.000 0.849 61 K HN 0.807 nan 8.250 nan 0.000 0.479 62 G N 1.851 110.676 108.800 0.041 0.000 2.640 62 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 62 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 62 G C -1.771 173.132 174.900 0.006 0.000 1.229 62 G CA -1.057 44.052 45.100 0.014 0.000 0.796 62 G HN 0.190 nan 8.290 nan 0.000 0.654 63 D N 1.121 121.515 120.400 -0.009 0.000 2.411 63 D HA 0.497 5.137 4.640 -0.000 0.000 0.225 63 D C 1.025 177.306 176.300 -0.032 0.000 1.156 63 D CA 0.011 53.999 54.000 -0.021 0.000 0.874 63 D CB 0.353 41.138 40.800 -0.026 0.000 1.034 63 D HN 0.409 nan 8.370 nan 0.000 0.502 64 T N 5.444 119.973 114.554 -0.041 0.000 2.792 64 T HA 0.021 4.371 4.350 -0.000 0.000 0.286 64 T C 0.473 175.135 174.700 -0.063 0.000 0.970 64 T CA -0.090 61.980 62.100 -0.050 0.000 1.187 64 T CB 0.279 69.111 68.868 -0.061 0.000 0.915 64 T HN 0.113 nan 8.240 nan 0.000 0.529 65 K N 3.980 124.352 120.400 -0.047 0.000 2.174 65 K HA 0.447 4.767 4.320 -0.000 0.000 0.275 65 K C 0.129 176.700 176.600 -0.047 0.000 1.015 65 K CA -0.229 56.029 56.287 -0.048 0.000 0.933 65 K CB 1.222 33.703 32.500 -0.031 0.000 1.025 65 K HN 0.574 nan 8.250 nan 0.000 0.463 66 M N 0.900 120.468 119.600 -0.055 0.000 2.508 66 M HA 0.182 4.662 4.480 -0.000 0.000 0.327 66 M C 0.403 176.698 176.300 -0.009 0.000 1.160 66 M CA -0.700 54.576 55.300 -0.041 0.000 0.980 66 M CB 1.980 34.529 32.600 -0.086 0.000 1.693 66 M HN 0.657 nan 8.290 nan 0.000 0.452 67 S N 1.284 116.993 115.700 0.015 0.000 2.600 67 S HA 0.370 4.840 4.470 -0.000 0.000 0.265 67 S C 1.082 175.702 174.600 0.034 0.000 1.325 67 S CA -0.213 58.002 58.200 0.024 0.000 1.002 67 S CB 1.008 64.226 63.200 0.030 0.000 0.921 67 S HN 0.785 nan 8.310 nan 0.000 0.554 68 A N 0.844 123.683 122.820 0.030 0.000 1.933 68 A HA -0.074 4.245 4.320 -0.000 0.000 0.218 68 A C 2.066 179.681 177.584 0.051 0.000 1.175 68 A CA 1.792 53.851 52.037 0.037 0.000 0.628 68 A CB -1.173 17.844 19.000 0.028 0.000 0.814 68 A HN 0.893 nan 8.150 nan 0.000 0.444 69 E N 0.355 120.583 120.200 0.047 0.000 2.051 69 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 69 E C 1.595 178.248 176.600 0.089 0.000 0.991 69 E CA 1.528 57.959 56.400 0.051 0.000 0.799 69 E CB -0.159 29.560 29.700 0.032 0.000 0.748 69 E HN 0.564 nan 8.360 nan 0.000 0.449 70 D N -0.127 120.341 120.400 0.114 0.000 2.149 70 D HA -0.084 4.556 4.640 -0.000 0.000 0.201 70 D C 1.710 178.161 176.300 0.252 0.000 0.972 70 D CA 0.834 54.968 54.000 0.225 0.000 0.835 70 D CB -0.044 40.889 40.800 0.221 0.000 0.966 70 D HN 0.069 nan 8.370 nan 0.000 0.476 71 K N 0.788 121.268 120.400 0.133 0.000 2.026 71 K HA -0.051 4.269 4.320 -0.000 0.000 0.208 71 K C 2.104 178.808 176.600 0.173 0.000 1.048 71 K CA 1.226 57.582 56.287 0.115 0.000 0.929 71 K CB -0.077 32.456 32.500 0.054 0.000 0.713 71 K HN -0.004 nan 8.250 nan 0.000 0.439 72 A N 0.877 123.778 122.820 0.136 0.000 1.972 72 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 72 A C 2.033 179.704 177.584 0.146 0.000 1.169 72 A CA 1.160 53.269 52.037 0.121 0.000 0.635 72 A CB -0.435 18.613 19.000 0.080 0.000 0.810 72 A HN 0.272 nan 8.150 nan 0.000 0.446 73 L N -1.892 119.443 121.223 0.187 0.000 2.109 73 L HA 0.035 4.375 4.340 -0.000 0.000 0.207 73 L C 2.086 179.149 176.870 0.322 0.000 1.086 73 L CA 1.833 56.791 54.840 0.197 0.000 0.760 73 L CB -0.731 41.406 42.059 0.129 0.000 0.910 73 L HN 0.377 nan 8.230 nan 0.000 0.437 74 F N 0.338 120.452 119.950 0.272 0.000 2.171 74 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 74 F C 2.724 178.578 175.800 0.090 0.000 1.090 74 F CA 1.755 59.845 58.000 0.150 0.000 1.293 74 F CB -0.202 38.741 39.000 -0.096 0.000 1.013 74 F HN 0.066 nan 8.300 nan 0.000 0.486 75 R N 0.117 120.741 120.500 0.207 0.000 2.092 75 R HA -0.112 4.228 4.340 -0.000 0.000 0.231 75 R C 2.450 178.775 176.300 0.042 0.000 1.119 75 R CA 1.222 57.392 56.100 0.117 0.000 0.970 75 R CB -0.161 30.221 30.300 0.136 0.000 0.864 75 R HN 0.233 nan 8.270 nan 0.000 0.440 76 R N -0.481 120.050 120.500 0.052 0.000 2.081 76 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 76 R C 2.398 178.698 176.300 0.001 0.000 1.131 76 R CA 1.623 57.743 56.100 0.034 0.000 0.960 76 R CB -0.344 29.980 30.300 0.041 0.000 0.856 76 R HN 0.336 nan 8.270 nan 0.000 0.436 77 C N -0.110 119.167 119.300 -0.039 0.000 2.440 77 C HA -0.009 4.451 4.460 -0.000 0.000 0.278 77 C C 2.859 177.770 174.990 -0.133 0.000 1.295 77 C CA 0.635 59.604 59.018 -0.081 0.000 1.738 77 C CB -0.879 26.796 27.740 -0.109 0.000 1.987 77 C HN 0.561 nan 8.230 nan 0.000 0.492 78 A N 0.493 123.166 122.820 -0.245 0.000 1.929 78 A HA 0.183 4.503 4.320 -0.000 0.000 0.216 78 A C 2.336 179.902 177.584 -0.030 0.000 1.176 78 A CA 1.784 53.708 52.037 -0.188 0.000 0.628 78 A CB -0.712 18.151 19.000 -0.229 0.000 0.816 78 A HN 0.536 nan 8.150 nan 0.000 0.444 79 A N 0.089 122.911 122.820 0.003 0.000 1.897 79 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 79 A C 1.761 179.372 177.584 0.046 0.000 1.181 79 A CA 1.757 53.829 52.037 0.059 0.000 0.620 79 A CB -0.511 18.538 19.000 0.081 0.000 0.821 79 A HN 0.410 nan 8.150 nan 0.000 0.443 80 D N -1.644 118.779 120.400 0.038 0.000 2.144 80 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 80 D C 1.664 177.990 176.300 0.042 0.000 0.984 80 D CA 1.476 55.501 54.000 0.042 0.000 0.834 80 D CB -0.399 40.429 40.800 0.047 0.000 0.955 80 D HN 0.580 nan 8.370 nan 0.000 0.465 81 Y N 1.537 121.788 120.300 -0.082 0.000 2.163 81 Y HA -0.069 4.481 4.550 -0.000 0.000 0.288 81 Y C 2.228 178.024 175.900 -0.174 0.000 1.136 81 Y CA 1.434 59.468 58.100 -0.110 0.000 1.147 81 Y CB -0.526 37.864 38.460 -0.116 0.000 0.987 81 Y HN -0.061 nan 8.280 nan 0.000 0.509 82 A N -0.701 121.937 122.820 -0.302 0.000 1.892 82 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 82 A C 2.532 179.834 177.584 -0.470 0.000 1.188 82 A CA 2.183 53.902 52.037 -0.531 0.000 0.631 82 A CB -1.551 17.242 19.000 -0.344 0.000 0.822 82 A HN 0.522 nan 8.150 nan 0.000 0.447 83 S N -0.661 114.927 115.700 -0.186 0.000 2.359 83 S HA -0.274 4.196 4.470 -0.000 0.000 0.223 83 S C 2.259 176.784 174.600 -0.124 0.000 1.039 83 S CA 2.132 60.300 58.200 -0.054 0.000 1.042 83 S CB -0.358 62.860 63.200 0.029 0.000 0.915 83 S HN 0.652 nan 8.310 nan 0.000 0.439 84 R N 0.663 121.049 120.500 -0.189 0.000 2.075 84 R HA 0.060 4.400 4.340 -0.000 0.000 0.232 84 R C 2.117 178.242 176.300 -0.291 0.000 1.126 84 R CA 1.602 57.588 56.100 -0.191 0.000 0.963 84 R CB -1.223 28.985 30.300 -0.153 0.000 0.858 84 R HN 0.447 nan 8.270 nan 0.000 0.435 85 L N 0.116 121.009 121.223 -0.550 0.000 1.970 85 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 85 L C 1.940 178.571 176.870 -0.398 0.000 1.071 85 L CA 2.281 56.755 54.840 -0.611 0.000 0.751 85 L CB -0.683 40.782 42.059 -0.989 0.000 0.889 85 L HN 0.411 nan 8.230 nan 0.000 0.432 86 H N -2.542 116.374 119.070 -0.258 0.000 2.462 86 H HA -0.049 4.507 4.556 -0.000 0.000 0.292 86 H C 2.376 177.667 175.328 -0.061 0.000 1.049 86 H CA 0.940 56.897 56.048 -0.153 0.000 1.334 86 H CB 0.083 29.677 29.762 -0.280 0.000 1.404 86 H HN 0.321 nan 8.280 nan 0.000 0.544 87 S N -0.196 115.519 115.700 0.024 0.000 2.423 87 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 87 S C 2.031 176.632 174.600 0.001 0.000 1.014 87 S CA 0.755 58.970 58.200 0.025 0.000 0.965 87 S CB -0.086 63.119 63.200 0.008 0.000 0.785 87 S HN 0.194 nan 8.310 nan 0.000 0.495 88 V N 1.220 121.114 119.914 -0.034 0.000 2.725 88 V HA 0.128 4.248 4.120 -0.000 0.000 0.247 88 V C 1.921 178.002 176.094 -0.022 0.000 1.058 88 V CA 0.956 63.235 62.300 -0.035 0.000 1.080 88 V CB -0.295 31.491 31.823 -0.061 0.000 0.713 88 V HN 0.438 nan 8.190 nan 0.000 0.465 89 L N -0.253 120.962 121.223 -0.013 0.000 2.416 89 L HA 0.474 4.814 4.340 -0.000 0.000 0.216 89 L C 1.236 178.126 176.870 0.034 0.000 1.098 89 L CA 0.856 55.697 54.840 0.003 0.000 0.840 89 L CB -0.551 41.519 42.059 0.017 0.000 0.981 89 L HN 0.516 nan 8.230 nan 0.000 0.462 90 G N 0.603 109.438 108.800 0.057 0.000 2.631 90 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.504 90 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.504 90 G C 0.208 175.155 174.900 0.078 0.000 1.306 90 G CA -0.162 44.971 45.100 0.055 0.000 0.897 90 G HN 0.143 nan 8.290 nan 0.000 0.520 91 T N -2.879 111.695 114.554 0.033 0.000 3.252 91 T HA 0.655 5.005 4.350 -0.000 0.000 0.286 91 T C 0.846 175.499 174.700 -0.079 0.000 1.013 91 T CA 1.254 63.347 62.100 -0.013 0.000 0.914 91 T CB 0.796 69.680 68.868 0.026 0.000 1.131 91 T HN 2.135 nan 8.240 nan 0.000 0.529 92 A N 1.869 124.655 122.820 -0.055 0.000 2.990 92 A HA 0.455 4.775 4.320 -0.000 0.000 0.282 92 A C 0.761 178.282 177.584 -0.106 0.000 1.688 92 A CA -0.646 51.352 52.037 -0.065 0.000 1.391 92 A CB -0.548 18.434 19.000 -0.030 0.000 1.112 92 A HN 0.422 nan 8.150 nan 0.000 0.588 93 N N 0.947 119.521 118.700 -0.211 0.000 2.291 93 N HA 0.191 4.931 4.740 -0.000 0.000 0.244 93 N C 0.451 175.807 175.510 -0.256 0.000 1.216 93 N CA 0.282 53.117 53.050 -0.357 0.000 0.879 93 N CB 0.939 38.833 38.487 -0.989 0.000 1.167 93 N HN 0.656 nan 8.380 nan 0.000 0.515 94 A N 2.034 124.780 122.820 -0.123 0.000 2.583 94 A HA 0.171 4.491 4.320 -0.000 0.000 0.231 94 A C -1.991 175.590 177.584 -0.005 0.000 1.065 94 A CA -0.186 51.825 52.037 -0.043 0.000 0.760 94 A CB -0.400 18.585 19.000 -0.024 0.000 1.001 94 A HN 0.018 nan 8.150 nan 0.000 0.509 95 P HA 0.218 nan 4.420 nan 0.000 0.269 95 P C -0.694 176.607 177.300 0.000 0.000 1.217 95 P CA -0.196 62.912 63.100 0.014 0.000 0.783 95 P CB 0.264 31.981 31.700 0.029 0.000 0.898 96 L N 1.357 122.567 121.223 -0.021 0.000 2.312 96 L HA 0.256 4.596 4.340 -0.000 0.000 0.281 96 L C 0.757 177.626 176.870 -0.002 0.000 1.070 96 L CA 0.168 55.005 54.840 -0.005 0.000 0.805 96 L CB 0.403 42.456 42.059 -0.010 0.000 1.174 96 L HN 0.419 nan 8.230 nan 0.000 0.434 97 S N 2.352 118.070 115.700 0.030 0.000 2.569 97 S HA 0.082 4.552 4.470 -0.000 0.000 0.274 97 S C 1.514 176.142 174.600 0.046 0.000 1.353 97 S CA -0.429 57.798 58.200 0.045 0.000 1.023 97 S CB 0.303 63.548 63.200 0.075 0.000 0.876 97 S HN 0.420 nan 8.310 nan 0.000 0.540 98 I N 0.817 121.414 120.570 0.045 0.000 2.113 98 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 98 I C 2.242 178.386 176.117 0.045 0.000 1.064 98 I CA 1.998 63.314 61.300 0.028 0.000 1.320 98 I CB -0.858 37.154 38.000 0.019 0.000 1.028 98 I HN 0.848 nan 8.210 nan 0.000 0.406 99 Y N 1.350 121.632 120.300 -0.031 0.000 2.081 99 Y HA -0.320 4.230 4.550 -0.000 0.000 0.280 99 Y C 2.554 178.448 175.900 -0.010 0.000 1.163 99 Y CA 2.125 60.211 58.100 -0.024 0.000 1.135 99 Y CB -0.336 38.114 38.460 -0.017 0.000 0.970 99 Y HN 0.208 nan 8.280 nan 0.000 0.498 100 E N -0.325 119.941 120.200 0.110 0.000 2.058 100 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 100 E C 2.189 178.763 176.600 -0.045 0.000 0.997 100 E CA 1.124 57.542 56.400 0.030 0.000 0.801 100 E CB -0.387 29.357 29.700 0.074 0.000 0.746 100 E HN 0.559 nan 8.360 nan 0.000 0.450 101 A N 0.090 122.891 122.820 -0.031 0.000 2.209 101 A HA -0.058 4.262 4.320 -0.000 0.000 0.212 101 A C 1.864 179.422 177.584 -0.043 0.000 1.158 101 A CA 0.714 52.731 52.037 -0.033 0.000 0.742 101 A CB -0.199 18.779 19.000 -0.035 0.000 0.790 101 A HN 0.158 nan 8.150 nan 0.000 0.472 102 I N -1.434 119.080 120.570 -0.095 0.000 2.900 102 I HA -0.017 4.153 4.170 -0.000 0.000 0.251 102 I C 1.763 177.824 176.117 -0.093 0.000 1.102 102 I CA 0.452 61.699 61.300 -0.089 0.000 1.457 102 I CB 0.030 37.929 38.000 -0.169 0.000 1.285 102 I HN 0.008 nan 8.210 nan 0.000 0.459 103 K N 1.511 121.756 120.400 -0.258 0.000 2.432 103 K HA 0.207 4.527 4.320 -0.000 0.000 0.196 103 K C 0.846 177.370 176.600 -0.126 0.000 1.038 103 K CA 0.774 56.907 56.287 -0.256 0.000 0.986 103 K CB -0.204 31.945 32.500 -0.584 0.000 0.782 103 K HN 0.455 nan 8.250 nan 0.000 0.485 104 G N 0.813 109.560 108.800 -0.088 0.000 2.728 104 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.294 104 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.294 104 G C -0.444 174.449 174.900 -0.011 0.000 1.342 104 G CA -0.407 44.679 45.100 -0.024 0.000 0.866 104 G HN 0.305 nan 8.290 nan 0.000 0.534 105 V N -4.146 115.778 119.914 0.016 0.000 3.206 105 V HA 0.743 4.862 4.120 -0.000 0.000 0.305 105 V C -0.137 175.977 176.094 0.033 0.000 1.257 105 V CA -0.557 61.759 62.300 0.027 0.000 1.057 105 V CB 1.676 33.514 31.823 0.026 0.000 1.075 105 V HN 0.960 nan 8.190 nan 0.000 0.443 106 D N 1.943 122.363 120.400 0.032 0.000 2.660 106 D HA 0.398 5.037 4.640 -0.000 0.000 0.253 106 D C 1.194 177.518 176.300 0.041 0.000 1.256 106 D CA 2.626 56.646 54.000 0.033 0.000 0.914 106 D CB -0.073 40.742 40.800 0.026 0.000 1.137 106 D HN 1.632 nan 8.370 nan 0.000 0.542 107 G N 1.950 110.787 108.800 0.062 0.000 2.141 107 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.231 107 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.231 107 G C -0.134 174.878 174.900 0.185 0.000 0.984 107 G CA -0.138 45.027 45.100 0.107 0.000 0.660 107 G HN 0.537 nan 8.290 nan 0.000 0.525 108 L N 1.289 122.587 121.223 0.126 0.000 2.446 108 L HA 0.672 5.012 4.340 -0.000 0.000 0.268 108 L C -0.528 176.397 176.870 0.092 0.000 0.975 108 L CA -0.962 53.965 54.840 0.145 0.000 0.848 108 L CB 1.367 43.469 42.059 0.070 0.000 1.225 108 L HN 0.018 nan 8.230 nan 0.000 0.410 109 D N 3.098 123.554 120.400 0.093 0.000 2.390 109 D HA 0.319 4.959 4.640 -0.000 0.000 0.236 109 D C 0.220 176.543 176.300 0.038 0.000 1.189 109 D CA 0.679 54.709 54.000 0.051 0.000 0.887 109 D CB 1.096 41.919 40.800 0.039 0.000 1.198 109 D HN 0.768 nan 8.370 nan 0.000 0.444 110 A N 2.178 125.009 122.820 0.019 0.000 2.445 110 A HA 0.161 4.481 4.320 -0.000 0.000 0.242 110 A C 0.665 178.268 177.584 0.032 0.000 1.075 110 A CA -0.289 51.757 52.037 0.015 0.000 0.777 110 A CB 0.004 19.006 19.000 0.005 0.000 1.013 110 A HN 0.585 nan 8.150 nan 0.000 0.493 111 M N 1.712 121.354 119.600 0.071 0.000 2.246 111 M HA 0.003 4.483 4.480 -0.000 0.000 0.327 111 M C 0.392 176.694 176.300 0.002 0.000 1.090 111 M CA 0.506 55.865 55.300 0.099 0.000 1.087 111 M CB 0.128 32.868 32.600 0.232 0.000 1.587 111 M HN 0.607 nan 8.290 nan 0.000 0.444 112 E N 4.375 124.539 120.200 -0.060 0.000 2.366 112 E HA 0.038 4.388 4.350 -0.000 0.000 0.266 112 E C -1.559 174.748 176.600 -0.490 0.000 1.015 112 E CA -1.281 55.006 56.400 -0.188 0.000 0.906 112 E CB 0.482 30.113 29.700 -0.115 0.000 0.979 112 E HN 0.403 nan 8.360 nan 0.000 0.443 113 P HA -0.106 nan 4.420 nan 0.000 0.217 113 P C 0.529 177.419 177.300 -0.684 0.000 1.154 113 P CA 1.260 63.653 63.100 -1.179 0.000 0.841 113 P CB 0.462 31.784 31.700 -0.630 0.000 0.788 114 D N -0.367 119.831 120.400 -0.336 0.000 2.740 114 D HA 0.030 4.670 4.640 -0.000 0.000 0.301 114 D C -0.150 176.093 176.300 -0.095 0.000 1.408 114 D CA -0.167 53.732 54.000 -0.168 0.000 0.808 114 D CB -0.208 40.528 40.800 -0.107 0.000 1.128 114 D HN 0.062 nan 8.370 nan 0.000 0.465 115 T N -2.116 112.375 114.554 -0.105 0.000 2.849 115 T HA 0.593 4.943 4.350 -0.000 0.000 0.284 115 T C 0.831 175.508 174.700 -0.038 0.000 1.004 115 T CA -0.472 61.589 62.100 -0.065 0.000 1.021 115 T CB 1.488 70.313 68.868 -0.072 0.000 1.013 115 T HN 0.280 nan 8.240 nan 0.000 0.527 116 A N 2.901 125.687 122.820 -0.056 0.000 2.598 116 A HA 0.275 4.595 4.320 -0.000 0.000 0.239 116 A C -0.582 177.017 177.584 0.024 0.000 1.032 116 A CA -0.826 51.189 52.037 -0.036 0.000 0.760 116 A CB -0.459 18.415 19.000 -0.210 0.000 0.946 116 A HN 0.807 nan 8.150 nan 0.000 0.512 117 P HA 0.151 nan 4.420 nan 0.000 0.231 117 P C 0.898 178.370 177.300 0.287 0.000 1.168 117 P CA 1.234 64.438 63.100 0.173 0.000 0.779 117 P CB -0.137 31.680 31.700 0.195 0.000 0.844 118 G N 0.254 109.195 108.800 0.234 0.000 2.725 118 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 118 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 118 G C -0.892 174.160 174.900 0.253 0.000 1.357 118 G CA -0.621 44.621 45.100 0.236 0.000 0.866 118 G HN 0.246 nan 8.290 nan 0.000 0.548 119 L N 0.895 122.203 121.223 0.142 0.000 2.379 119 L HA 0.485 4.825 4.340 -0.000 0.000 0.269 119 L C -1.162 175.517 176.870 -0.317 0.000 1.084 119 L CA -1.726 53.098 54.840 -0.026 0.000 0.802 119 L CB 1.808 43.872 42.059 0.008 0.000 1.175 119 L HN 0.471 nan 8.230 nan 0.000 0.448 120 P HA 0.035 nan 4.420 nan 0.000 0.262 120 P C 0.674 177.809 177.300 -0.274 0.000 1.304 120 P CA 0.098 62.960 63.100 -0.397 0.000 0.859 120 P CB 0.020 31.478 31.700 -0.403 0.000 1.310 121 W N 0.983 122.338 121.300 0.091 0.000 2.374 121 W HA 0.013 4.673 4.660 -0.000 0.000 0.288 121 W C 2.356 178.928 176.519 0.088 0.000 1.218 121 W CA 0.625 58.021 57.345 0.084 0.000 1.245 121 W CB -1.405 28.106 29.460 0.086 0.000 1.126 121 W HN -0.042 nan 8.180 nan 0.000 0.545 122 A N 0.655 123.636 122.820 0.268 0.000 1.972 122 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 122 A C 1.927 179.607 177.584 0.160 0.000 1.169 122 A CA 1.202 53.370 52.037 0.218 0.000 0.635 122 A CB -0.817 18.318 19.000 0.226 0.000 0.810 122 A HN 0.372 nan 8.150 nan 0.000 0.446 123 L N -1.040 120.251 121.223 0.114 0.000 2.395 123 L HA -0.088 4.252 4.340 -0.000 0.000 0.218 123 L C 2.142 179.063 176.870 0.086 0.000 1.130 123 L CA 0.667 55.555 54.840 0.081 0.000 0.826 123 L CB -0.231 41.851 42.059 0.038 0.000 0.941 123 L HN 0.453 nan 8.230 nan 0.000 0.451 124 Q N -0.053 119.817 119.800 0.116 0.000 2.320 124 Q HA 0.139 4.479 4.340 -0.000 0.000 0.201 124 Q C 1.339 177.419 176.000 0.133 0.000 0.910 124 Q CA 0.436 56.315 55.803 0.127 0.000 0.946 124 Q CB 0.449 29.291 28.738 0.173 0.000 1.062 124 Q HN 0.486 nan 8.270 nan 0.000 0.503 125 G N 2.195 111.076 108.800 0.135 0.000 2.296 125 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.282 125 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.282 125 G C -0.222 174.754 174.900 0.127 0.000 1.014 125 G CA 0.423 45.596 45.100 0.123 0.000 0.812 125 G HN 0.235 nan 8.290 nan 0.000 0.508 126 K N 0.562 121.060 120.400 0.163 0.000 2.262 126 K HA 0.367 4.687 4.320 -0.000 0.000 0.282 126 K C 1.099 177.775 176.600 0.126 0.000 1.066 126 K CA -0.671 55.700 56.287 0.139 0.000 0.901 126 K CB 1.152 33.747 32.500 0.158 0.000 1.089 126 K HN 0.284 nan 8.250 nan 0.000 0.476 127 R N 1.207 121.760 120.500 0.088 0.000 2.863 127 R HA 0.040 4.380 4.340 -0.000 0.000 0.273 127 R C 1.509 177.844 176.300 0.059 0.000 1.057 127 R CA 0.094 56.239 56.100 0.075 0.000 1.191 127 R CB 0.388 30.723 30.300 0.059 0.000 1.104 127 R HN 0.550 nan 8.270 nan 0.000 0.519 128 R N 0.612 121.152 120.500 0.067 0.000 2.120 128 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 128 R C 1.986 178.404 176.300 0.196 0.000 1.123 128 R CA 1.688 57.850 56.100 0.104 0.000 0.975 128 R CB -0.447 29.915 30.300 0.104 0.000 0.866 128 R HN 0.852 nan 8.270 nan 0.000 0.446 129 G N -0.422 108.479 108.800 0.168 0.000 2.471 129 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 129 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 129 G C 1.320 176.265 174.900 0.076 0.000 1.125 129 G CA 0.584 45.798 45.100 0.190 0.000 0.775 129 G HN 0.405 nan 8.290 nan 0.000 0.548 130 A N -0.284 122.553 122.820 0.029 0.000 2.172 130 A HA 0.296 4.616 4.320 -0.000 0.000 0.216 130 A C 2.039 179.575 177.584 -0.081 0.000 1.154 130 A CA 0.965 52.993 52.037 -0.013 0.000 0.701 130 A CB -0.072 18.929 19.000 0.000 0.000 0.789 130 A HN 0.337 nan 8.150 nan 0.000 0.465 131 L N -1.903 119.241 121.223 -0.131 0.000 2.685 131 L HA 0.455 4.795 4.340 -0.000 0.000 0.235 131 L C 0.137 176.866 176.870 -0.236 0.000 1.070 131 L CA 0.593 55.286 54.840 -0.244 0.000 0.888 131 L CB 0.337 42.133 42.059 -0.438 0.000 1.203 131 L HN 0.157 nan 8.230 nan 0.000 0.499 132 I N -0.710 119.716 120.570 -0.240 0.000 2.647 132 I HA 0.228 4.398 4.170 -0.000 0.000 0.295 132 I C -0.993 174.874 176.117 -0.417 0.000 1.078 132 I CA -0.588 60.446 61.300 -0.444 0.000 1.048 132 I CB 2.471 39.973 38.000 -0.831 0.000 1.239 132 I HN -0.116 nan 8.210 nan 0.000 0.421 133 D N 5.413 125.607 120.400 -0.343 0.000 2.380 133 D HA 0.190 4.830 4.640 -0.000 0.000 0.230 133 D C 0.266 176.425 176.300 -0.235 0.000 1.154 133 D CA -0.119 53.772 54.000 -0.180 0.000 0.859 133 D CB 0.712 41.463 40.800 -0.082 0.000 1.045 133 D HN 0.320 nan 8.370 nan 0.000 0.495 134 F N 1.888 121.822 119.950 -0.027 0.000 2.780 134 F HA 0.040 4.567 4.527 -0.000 0.000 0.299 134 F C 2.102 177.881 175.800 -0.033 0.000 1.146 134 F CA 0.231 58.207 58.000 -0.040 0.000 1.428 134 F CB 0.329 39.305 39.000 -0.039 0.000 1.115 134 F HN 0.447 nan 8.300 nan 0.000 0.583 135 E N -0.487 119.791 120.200 0.131 0.000 2.102 135 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 135 E C 1.181 177.841 176.600 0.101 0.000 0.971 135 E CA 0.692 57.150 56.400 0.096 0.000 0.821 135 E CB -0.248 29.502 29.700 0.083 0.000 0.777 135 E HN 0.308 nan 8.360 nan 0.000 0.460 136 N N 0.501 119.257 118.700 0.093 0.000 2.373 136 N HA 0.036 4.776 4.740 -0.000 0.000 0.181 136 N C 0.753 176.415 175.510 0.255 0.000 1.082 136 N CA 0.924 54.068 53.050 0.156 0.000 0.885 136 N CB 1.271 39.809 38.487 0.084 0.000 0.977 136 N HN 0.323 nan 8.380 nan 0.000 0.462 137 G N 1.826 110.679 108.800 0.090 0.000 2.248 137 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.263 137 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.263 137 G C 0.096 175.037 174.900 0.069 0.000 1.082 137 G CA 0.767 45.891 45.100 0.040 0.000 0.863 137 G HN 0.505 nan 8.290 nan 0.000 0.495 138 T N -3.354 111.181 114.554 -0.031 0.000 2.916 138 T HA 0.869 5.219 4.350 -0.000 0.000 0.292 138 T C 0.011 174.634 174.700 -0.127 0.000 1.064 138 T CA -0.247 61.825 62.100 -0.047 0.000 1.011 138 T CB 2.808 71.664 68.868 -0.021 0.000 1.152 138 T HN 1.703 nan 8.240 nan 0.000 0.510 139 V N -0.733 119.115 119.914 -0.109 0.000 2.715 139 V HA 0.968 5.088 4.120 -0.000 0.000 0.310 139 V C 0.638 176.666 176.094 -0.111 0.000 1.054 139 V CA -0.617 61.597 62.300 -0.144 0.000 0.928 139 V CB 1.090 32.832 31.823 -0.136 0.000 1.007 139 V HN 1.320 nan 8.190 nan 0.000 0.437 140 G N 2.188 110.909 108.800 -0.131 0.000 2.599 140 G HA2 0.480 4.440 3.960 -0.000 0.000 0.264 140 G HA3 0.480 4.440 3.960 -0.000 0.000 0.264 140 G C -1.166 173.686 174.900 -0.080 0.000 1.200 140 G CA -0.776 44.264 45.100 -0.100 0.000 0.896 140 G HN 0.690 nan 8.290 nan 0.000 0.536 141 P HA -0.120 nan 4.420 nan 0.000 0.218 141 P C 1.008 178.309 177.300 0.002 0.000 1.148 141 P CA 1.295 64.385 63.100 -0.017 0.000 0.822 141 P CB 0.308 32.008 31.700 -0.000 0.000 0.784 142 E N -0.332 119.862 120.200 -0.010 0.000 2.150 142 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 142 E C 2.123 178.755 176.600 0.053 0.000 0.985 142 E CA 0.749 57.186 56.400 0.061 0.000 0.814 142 E CB -1.011 28.699 29.700 0.017 0.000 0.752 142 E HN 0.094 nan 8.360 nan 0.000 0.466 143 V N 1.829 121.698 119.914 -0.074 0.000 2.446 143 V HA -0.177 3.943 4.120 -0.000 0.000 0.244 143 V C 2.138 178.210 176.094 -0.036 0.000 1.039 143 V CA 1.863 64.123 62.300 -0.068 0.000 1.045 143 V CB -0.538 31.192 31.823 -0.155 0.000 0.681 143 V HN 0.400 nan 8.190 nan 0.000 0.459 144 E N 1.160 121.338 120.200 -0.037 0.000 2.418 144 E HA -0.084 4.266 4.350 -0.000 0.000 0.197 144 E C 1.974 178.566 176.600 -0.013 0.000 1.026 144 E CA 1.135 57.517 56.400 -0.030 0.000 0.862 144 E CB -0.192 29.491 29.700 -0.028 0.000 0.799 144 E HN 0.524 nan 8.360 nan 0.000 0.518 145 A N 1.857 124.688 122.820 0.019 0.000 1.898 145 A HA 0.186 4.506 4.320 -0.000 0.000 0.214 145 A C 2.465 180.078 177.584 0.048 0.000 1.183 145 A CA 1.226 53.288 52.037 0.042 0.000 0.622 145 A CB -0.489 18.560 19.000 0.081 0.000 0.824 145 A HN 0.363 nan 8.150 nan 0.000 0.444 146 A N -0.422 122.443 122.820 0.075 0.000 1.929 146 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 146 A C 2.110 179.605 177.584 -0.149 0.000 1.176 146 A CA 1.274 53.350 52.037 0.066 0.000 0.628 146 A CB -0.498 18.592 19.000 0.149 0.000 0.816 146 A HN 0.438 nan 8.150 nan 0.000 0.444 147 L N -0.213 120.915 121.223 -0.158 0.000 1.989 147 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 147 L C 2.245 178.974 176.870 -0.234 0.000 1.071 147 L CA 2.442 57.143 54.840 -0.233 0.000 0.749 147 L CB -0.796 41.201 42.059 -0.103 0.000 0.890 147 L HN 0.385 nan 8.230 nan 0.000 0.431 148 K N -0.631 119.698 120.400 -0.119 0.000 2.209 148 K HA -0.182 4.138 4.320 -0.000 0.000 0.204 148 K C 1.786 178.323 176.600 -0.105 0.000 1.048 148 K CA 0.823 57.054 56.287 -0.092 0.000 0.940 148 K CB -0.082 32.392 32.500 -0.043 0.000 0.729 148 K HN 0.141 nan 8.250 nan 0.000 0.451 149 L N 0.152 121.325 121.223 -0.084 0.000 2.554 149 L HA 0.081 4.421 4.340 -0.000 0.000 0.226 149 L C 1.619 178.438 176.870 -0.084 0.000 1.137 149 L CA 0.908 55.728 54.840 -0.032 0.000 0.863 149 L CB 0.115 42.228 42.059 0.089 0.000 0.985 149 L HN 0.201 nan 8.230 nan 0.000 0.451 150 M N -2.040 117.395 119.600 -0.275 0.000 2.552 150 M HA -0.007 4.473 4.480 -0.000 0.000 0.264 150 M C 1.861 177.843 176.300 -0.531 0.000 1.159 150 M CA 0.581 55.613 55.300 -0.448 0.000 1.176 150 M CB 0.082 32.120 32.600 -0.937 0.000 1.327 150 M HN 0.085 nan 8.290 nan 0.000 0.481 151 E N 0.875 120.834 120.200 -0.402 0.000 2.058 151 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 151 E C 1.612 178.068 176.600 -0.241 0.000 0.997 151 E CA 1.220 57.492 56.400 -0.214 0.000 0.801 151 E CB -0.293 29.352 29.700 -0.093 0.000 0.746 151 E HN 0.407 nan 8.360 nan 0.000 0.450 152 K N 0.458 120.722 120.400 -0.228 0.000 2.525 152 K HA -0.014 4.306 4.320 -0.000 0.000 0.192 152 K C 0.084 176.496 176.600 -0.314 0.000 1.029 152 K CA 0.044 56.208 56.287 -0.206 0.000 1.029 152 K CB 0.074 32.502 32.500 -0.121 0.000 0.814 152 K HN 0.026 nan 8.250 nan 0.000 0.503 153 R N -0.389 119.778 120.500 -0.555 0.000 3.863 153 R HA -0.178 4.162 4.340 -0.000 0.000 0.313 153 R C 0.250 176.374 176.300 -0.294 0.000 1.202 153 R CA 0.828 56.354 56.100 -0.957 0.000 0.852 153 R CB -1.312 28.253 30.300 -1.224 0.000 1.292 153 R HN 0.273 nan 8.270 nan 0.000 0.519 154 E N -0.147 120.002 120.200 -0.085 0.000 2.400 154 E HA -0.016 4.334 4.350 -0.000 0.000 0.195 154 E C 0.030 176.744 176.600 0.190 0.000 1.012 154 E CA 0.052 56.488 56.400 0.060 0.000 0.875 154 E CB 0.100 29.813 29.700 0.021 0.000 0.859 154 E HN 0.313 nan 8.360 nan 0.000 0.498 155 Y N 3.072 123.459 120.300 0.144 0.000 2.865 155 Y HA -0.149 4.401 4.550 -0.000 0.000 0.338 155 Y C 0.264 176.348 175.900 0.307 0.000 1.269 155 Y CA 0.537 58.769 58.100 0.220 0.000 1.585 155 Y CB 0.208 38.807 38.460 0.231 0.000 1.224 155 Y HN -0.287 nan 8.280 nan 0.000 0.554 156 K N 7.017 127.204 120.400 -0.355 0.000 2.258 156 K HA 0.613 4.933 4.320 -0.000 0.000 0.236 156 K C -1.274 175.017 176.600 -0.515 0.000 1.008 156 K CA -0.782 55.320 56.287 -0.309 0.000 0.869 156 K CB 2.317 34.705 32.500 -0.188 0.000 1.171 156 K HN 0.681 nan 8.250 nan 0.000 0.447 157 F N -2.573 117.117 119.950 -0.434 0.000 2.799 157 F HA 0.609 5.136 4.527 -0.000 0.000 0.316 157 F C -2.069 173.616 175.800 -0.190 0.000 1.155 157 F CA -1.281 56.530 58.000 -0.315 0.000 0.916 157 F CB 0.827 39.702 39.000 -0.209 0.000 1.294 157 F HN 0.501 nan 8.300 nan 0.000 0.447 158 A N 0.926 123.689 122.820 -0.094 0.000 2.374 158 A HA 0.782 5.102 4.320 -0.000 0.000 0.317 158 A C -1.004 176.602 177.584 0.037 0.000 1.094 158 A CA -0.769 51.160 52.037 -0.181 0.000 0.765 158 A CB 1.043 19.967 19.000 -0.126 0.000 1.268 158 A HN 1.073 nan 8.150 nan 0.000 0.438 159 C N 0.761 120.020 119.300 -0.068 0.000 2.466 159 C HA 0.573 5.033 4.460 -0.000 0.000 0.379 159 C C 0.480 175.570 174.990 0.166 0.000 1.251 159 C CA -0.346 58.724 59.018 0.087 0.000 2.263 159 C CB 0.417 28.153 27.740 -0.008 0.000 2.511 159 C HN 0.866 nan 8.230 nan 0.000 0.573 160 Q N 0.948 120.888 119.800 0.232 0.000 2.325 160 Q HA 0.298 4.638 4.340 -0.000 0.000 0.262 160 Q C -0.766 175.477 176.000 0.406 0.000 0.968 160 Q CA 0.071 56.056 55.803 0.303 0.000 0.877 160 Q CB 1.074 29.999 28.738 0.311 0.000 1.253 160 Q HN 0.797 nan 8.270 nan 0.000 0.448 161 T N 4.738 119.552 114.554 0.434 0.000 2.729 161 T HA 0.311 4.661 4.350 -0.000 0.000 0.296 161 T C -0.872 174.117 174.700 0.482 0.000 0.928 161 T CA 0.098 62.454 62.100 0.426 0.000 1.045 161 T CB -0.114 68.990 68.868 0.393 0.000 0.902 161 T HN 0.273 nan 8.240 nan 0.000 0.500 162 F N 2.663 122.699 119.950 0.143 0.000 2.443 162 F HA 0.505 5.032 4.527 -0.000 0.000 0.335 162 F C 0.129 175.964 175.800 0.059 0.000 1.104 162 F CA -1.508 56.562 58.000 0.116 0.000 1.013 162 F CB 1.103 40.159 39.000 0.093 0.000 1.136 162 F HN 0.328 nan 8.300 nan 0.000 0.470 163 L N 3.795 125.095 121.223 0.128 0.000 2.319 163 L HA 0.264 4.604 4.340 -0.000 0.000 0.280 163 L C 0.290 177.211 176.870 0.084 0.000 1.099 163 L CA -0.270 54.602 54.840 0.053 0.000 0.828 163 L CB 0.592 42.663 42.059 0.021 0.000 1.150 163 L HN 0.471 nan 8.230 nan 0.000 0.442 164 K N 2.596 123.026 120.400 0.050 0.000 2.338 164 K HA 0.029 4.349 4.320 -0.000 0.000 0.290 164 K C -0.525 176.091 176.600 0.028 0.000 1.069 164 K CA -0.488 55.833 56.287 0.056 0.000 0.941 164 K CB 0.357 32.876 32.500 0.031 0.000 1.023 164 K HN 0.403 nan 8.250 nan 0.000 0.477 165 D N 5.196 125.621 120.400 0.043 0.000 2.402 165 D HA 0.020 4.660 4.640 -0.000 0.000 0.235 165 D C -0.625 175.673 176.300 -0.004 0.000 1.226 165 D CA 0.178 54.187 54.000 0.015 0.000 0.918 165 D CB 0.281 41.100 40.800 0.032 0.000 1.043 165 D HN 0.633 nan 8.370 nan 0.000 0.506 166 E N 2.301 122.482 120.200 -0.031 0.000 2.454 166 E HA 0.333 4.683 4.350 -0.000 0.000 0.279 166 E C -0.960 175.586 176.600 -0.090 0.000 1.029 166 E CA -0.948 55.424 56.400 -0.046 0.000 0.831 166 E CB 0.598 30.282 29.700 -0.026 0.000 1.405 166 E HN 0.014 nan 8.360 nan 0.000 0.463 167 I N 1.579 122.090 120.570 -0.098 0.000 2.395 167 I HA 0.355 4.525 4.170 -0.000 0.000 0.289 167 I C 0.372 176.497 176.117 0.013 0.000 1.023 167 I CA -0.207 61.015 61.300 -0.130 0.000 1.350 167 I CB 0.413 38.324 38.000 -0.147 0.000 1.409 167 I HN 0.512 nan 8.210 nan 0.000 0.507 168 R N 6.705 127.237 120.500 0.054 0.000 2.837 168 R HA 0.498 4.838 4.340 -0.000 0.000 0.271 168 R C -2.620 173.764 176.300 0.141 0.000 0.993 168 R CA -1.807 54.365 56.100 0.120 0.000 0.931 168 R CB 2.129 32.436 30.300 0.011 0.000 1.206 168 R HN 0.287 nan 8.270 nan 0.000 0.474 169 P HA -0.000 nan 4.420 nan 0.000 0.268 169 P C 0.667 177.809 177.300 -0.263 0.000 1.204 169 P CA -0.127 62.663 63.100 -0.517 0.000 0.768 169 P CB 0.544 31.951 31.700 -0.487 0.000 0.842 170 M N 2.024 121.468 119.600 -0.259 0.000 2.144 170 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 170 M C 1.949 178.186 176.300 -0.104 0.000 1.067 170 M CA 1.871 57.099 55.300 -0.121 0.000 1.095 170 M CB -1.572 30.982 32.600 -0.078 0.000 1.365 170 M HN 0.488 nan 8.290 nan 0.000 0.406 171 E N 0.550 120.671 120.200 -0.132 0.000 2.108 171 E HA -0.239 4.111 4.350 -0.000 0.000 0.203 171 E C 1.800 178.354 176.600 -0.078 0.000 1.022 171 E CA 2.157 58.499 56.400 -0.098 0.000 0.823 171 E CB 0.046 29.680 29.700 -0.109 0.000 0.744 171 E HN 0.506 nan 8.360 nan 0.000 0.456 172 K N -0.871 119.478 120.400 -0.085 0.000 2.211 172 K HA 0.054 4.374 4.320 -0.000 0.000 0.201 172 K C 2.051 178.616 176.600 -0.058 0.000 1.052 172 K CA 0.702 56.950 56.287 -0.065 0.000 0.973 172 K CB 0.290 32.754 32.500 -0.060 0.000 0.766 172 K HN -0.015 nan 8.250 nan 0.000 0.466 173 V N 1.708 121.586 119.914 -0.060 0.000 2.287 173 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 173 V C 2.164 178.233 176.094 -0.042 0.000 1.053 173 V CA 1.790 64.060 62.300 -0.050 0.000 1.027 173 V CB -0.459 31.335 31.823 -0.048 0.000 0.646 173 V HN 0.269 nan 8.190 nan 0.000 0.447 174 R N 0.045 120.521 120.500 -0.041 0.000 2.115 174 R HA -0.012 4.328 4.340 -0.000 0.000 0.230 174 R C 2.172 178.453 176.300 -0.032 0.000 1.111 174 R CA 1.259 57.340 56.100 -0.032 0.000 0.976 174 R CB -0.448 29.834 30.300 -0.029 0.000 0.870 174 R HN 0.529 nan 8.270 nan 0.000 0.445 175 A N 0.180 122.977 122.820 -0.038 0.000 2.235 175 A HA 0.160 4.480 4.320 -0.000 0.000 0.208 175 A C 1.375 178.935 177.584 -0.040 0.000 1.172 175 A CA 0.793 52.808 52.037 -0.037 0.000 0.786 175 A CB -0.216 18.760 19.000 -0.040 0.000 0.804 175 A HN 0.455 nan 8.150 nan 0.000 0.479 176 G N -0.539 108.235 108.800 -0.042 0.000 2.153 176 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.252 176 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.252 176 G C 0.338 175.199 174.900 -0.066 0.000 0.994 176 G CA 0.607 45.677 45.100 -0.049 0.000 0.698 176 G HN 0.531 nan 8.290 nan 0.000 0.521 177 K N 1.691 122.052 120.400 -0.064 0.000 2.737 177 K HA 0.281 4.601 4.320 -0.000 0.000 0.251 177 K C 0.485 177.039 176.600 -0.078 0.000 1.280 177 K CA 0.120 56.362 56.287 -0.074 0.000 1.219 177 K CB -0.080 32.382 32.500 -0.062 0.000 1.587 177 K HN 0.284 nan 8.250 nan 0.000 0.279 178 T N 1.798 116.296 114.554 -0.093 0.000 2.832 178 T HA 0.181 4.531 4.350 -0.000 0.000 0.296 178 T C 0.354 174.985 174.700 -0.115 0.000 0.968 178 T CA -0.446 61.599 62.100 -0.091 0.000 1.107 178 T CB 0.677 69.491 68.868 -0.091 0.000 0.916 178 T HN 0.308 nan 8.240 nan 0.000 0.517 179 R N 2.429 122.879 120.500 -0.083 0.000 2.490 179 R HA 0.543 4.883 4.340 -0.000 0.000 0.278 179 R C 0.378 176.628 176.300 -0.085 0.000 1.069 179 R CA -0.536 55.514 56.100 -0.083 0.000 1.080 179 R CB 0.566 30.840 30.300 -0.043 0.000 1.030 179 R HN 0.667 nan 8.270 nan 0.000 0.491 180 I N -1.854 118.656 120.570 -0.101 0.000 2.562 180 I HA 0.537 4.707 4.170 -0.000 0.000 0.301 180 I C -0.519 175.606 176.117 0.014 0.000 1.003 180 I CA -1.238 60.019 61.300 -0.070 0.000 1.127 180 I CB 1.961 39.850 38.000 -0.185 0.000 1.304 180 I HN 0.128 nan 8.210 nan 0.000 0.446 181 V N 3.400 123.367 119.914 0.088 0.000 2.483 181 V HA 0.356 4.476 4.120 -0.000 0.000 0.295 181 V C -0.728 175.463 176.094 0.162 0.000 1.035 181 V CA -0.387 61.981 62.300 0.113 0.000 0.896 181 V CB 1.728 33.618 31.823 0.113 0.000 0.986 181 V HN 0.727 nan 8.190 nan 0.000 0.447 182 D N 3.672 124.163 120.400 0.152 0.000 2.464 182 D HA 0.259 4.899 4.640 -0.000 0.000 0.243 182 D C -0.432 175.956 176.300 0.148 0.000 1.104 182 D CA -0.125 54.004 54.000 0.215 0.000 0.883 182 D CB 1.955 42.934 40.800 0.297 0.000 1.050 182 D HN 0.213 nan 8.370 nan 0.000 0.524 183 V N 3.610 123.591 119.914 0.111 0.000 2.415 183 V HA 0.048 4.168 4.120 -0.000 0.000 0.267 183 V C 0.617 176.766 176.094 0.091 0.000 1.042 183 V CA -0.304 62.014 62.300 0.030 0.000 1.000 183 V CB 0.340 32.104 31.823 -0.099 0.000 1.015 183 V HN 0.295 nan 8.190 nan 0.000 0.478 184 L N 9.112 130.368 121.223 0.054 0.000 2.418 184 L HA 0.440 4.780 4.340 -0.000 0.000 0.265 184 L C -1.856 175.056 176.870 0.070 0.000 1.143 184 L CA -1.445 53.411 54.840 0.027 0.000 0.809 184 L CB 0.591 42.535 42.059 -0.191 0.000 1.124 184 L HN 0.419 nan 8.230 nan 0.000 0.456 185 P HA -0.058 nan 4.420 nan 0.000 0.268 185 P C 0.935 178.375 177.300 0.233 0.000 1.204 185 P CA 0.067 63.330 63.100 0.272 0.000 0.768 185 P CB 0.862 32.781 31.700 0.365 0.000 0.842 186 V N 3.043 123.105 119.914 0.246 0.000 2.660 186 V HA -0.246 3.874 4.120 -0.000 0.000 0.257 186 V C 2.267 178.420 176.094 0.099 0.000 1.088 186 V CA 2.474 64.856 62.300 0.138 0.000 1.106 186 V CB -0.924 30.954 31.823 0.091 0.000 0.686 186 V HN 0.675 nan 8.190 nan 0.000 0.481 187 E N -0.572 119.705 120.200 0.129 0.000 2.112 187 E HA -0.293 4.057 4.350 -0.000 0.000 0.190 187 E C 2.009 178.594 176.600 -0.024 0.000 0.979 187 E CA 1.825 58.244 56.400 0.031 0.000 0.814 187 E CB -0.867 28.852 29.700 0.031 0.000 0.762 187 E HN 0.853 nan 8.360 nan 0.000 0.460 188 H N 0.968 119.967 119.070 -0.118 0.000 2.319 188 H HA -0.051 4.505 4.556 -0.000 0.000 0.299 188 H C 2.235 177.506 175.328 -0.096 0.000 1.092 188 H CA 2.299 58.228 56.048 -0.199 0.000 1.302 188 H CB -0.058 29.487 29.762 -0.362 0.000 1.373 188 H HN 0.106 nan 8.280 nan 0.000 0.497 189 I N 0.363 121.029 120.570 0.160 0.000 2.179 189 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 189 I C 2.584 178.737 176.117 0.061 0.000 1.088 189 I CA 0.819 62.188 61.300 0.114 0.000 1.357 189 I CB -0.259 37.791 38.000 0.084 0.000 1.051 189 I HN 0.413 nan 8.210 nan 0.000 0.409 190 L N -0.008 121.241 121.223 0.044 0.000 2.012 190 L HA -0.294 4.046 4.340 -0.000 0.000 0.210 190 L C 2.613 179.485 176.870 0.004 0.000 1.073 190 L CA 2.297 57.147 54.840 0.017 0.000 0.748 190 L CB -0.883 41.174 42.059 -0.003 0.000 0.891 190 L HN 0.259 nan 8.230 nan 0.000 0.431 191 Y N 1.169 121.385 120.300 -0.140 0.000 2.242 191 Y HA -0.214 4.336 4.550 -0.000 0.000 0.291 191 Y C 2.635 178.437 175.900 -0.163 0.000 1.137 191 Y CA 2.224 60.217 58.100 -0.179 0.000 1.181 191 Y CB -0.477 37.823 38.460 -0.267 0.000 0.989 191 Y HN 0.219 nan 8.280 nan 0.000 0.527 192 T N 0.186 114.661 114.554 -0.132 0.000 2.708 192 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 192 T C 1.922 176.541 174.700 -0.134 0.000 1.037 192 T CA 1.828 63.834 62.100 -0.156 0.000 1.146 192 T CB -0.219 68.626 68.868 -0.037 0.000 0.865 192 T HN 0.306 nan 8.240 nan 0.000 0.435 193 R N 0.449 120.906 120.500 -0.072 0.000 2.096 193 R HA 0.058 4.398 4.340 -0.000 0.000 0.235 193 R C 2.613 178.867 176.300 -0.077 0.000 1.127 193 R CA 1.312 57.390 56.100 -0.036 0.000 0.968 193 R CB -0.361 29.936 30.300 -0.005 0.000 0.861 193 R HN 0.410 nan 8.270 nan 0.000 0.440 194 M N -0.410 119.091 119.600 -0.165 0.000 2.108 194 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 194 M C 2.116 178.277 176.300 -0.233 0.000 1.066 194 M CA 1.503 56.676 55.300 -0.212 0.000 1.107 194 M CB -0.131 32.278 32.600 -0.318 0.000 1.356 194 M HN 0.123 nan 8.290 nan 0.000 0.406 195 M N -0.258 119.140 119.600 -0.337 0.000 2.236 195 M HA 0.024 4.504 4.480 -0.000 0.000 0.266 195 M C 1.942 178.273 176.300 0.050 0.000 1.070 195 M CA 1.476 56.644 55.300 -0.220 0.000 1.137 195 M CB -0.558 31.840 32.600 -0.337 0.000 1.378 195 M HN 0.434 nan 8.290 nan 0.000 0.426 196 I N -4.905 115.703 120.570 0.064 0.000 4.310 196 I HA 0.404 4.574 4.170 -0.000 0.000 0.328 196 I C 1.554 177.852 176.117 0.302 0.000 1.406 196 I CA 0.026 61.504 61.300 0.296 0.000 1.174 196 I CB -0.436 37.686 38.000 0.204 0.000 1.279 196 I HN 0.030 nan 8.210 nan 0.000 0.471 197 G N 1.599 110.481 108.800 0.136 0.000 2.440 197 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 197 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 197 G C 1.716 176.661 174.900 0.075 0.000 1.154 197 G CA 0.876 46.027 45.100 0.084 0.000 0.767 197 G HN 0.397 nan 8.290 nan 0.000 0.552 198 R N -0.901 119.656 120.500 0.095 0.000 2.115 198 R HA -0.001 4.339 4.340 -0.000 0.000 0.230 198 R C 2.225 178.579 176.300 0.089 0.000 1.111 198 R CA 0.993 57.128 56.100 0.058 0.000 0.976 198 R CB -0.346 29.972 30.300 0.030 0.000 0.870 198 R HN 0.417 nan 8.270 nan 0.000 0.445 199 F N 0.438 120.422 119.950 0.057 0.000 2.075 199 F HA -0.272 4.255 4.527 -0.000 0.000 0.297 199 F C 2.171 177.999 175.800 0.046 0.000 1.113 199 F CA 1.441 59.522 58.000 0.135 0.000 1.218 199 F CB -0.675 38.605 39.000 0.466 0.000 0.984 199 F HN -0.007 nan 8.300 nan 0.000 0.472 200 C N 0.933 120.207 119.300 -0.043 0.000 2.398 200 C HA -0.189 4.271 4.460 -0.000 0.000 0.276 200 C C 3.198 177.767 174.990 -0.702 0.000 1.222 200 C CA 1.444 60.239 59.018 -0.371 0.000 1.746 200 C CB -1.878 25.769 27.740 -0.155 0.000 2.039 200 C HN 0.682 nan 8.230 nan 0.000 0.470 201 A N -0.562 122.022 122.820 -0.394 0.000 1.933 201 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 201 A C 2.032 179.501 177.584 -0.191 0.000 1.175 201 A CA 2.150 54.026 52.037 -0.267 0.000 0.628 201 A CB -0.664 18.288 19.000 -0.080 0.000 0.814 201 A HN 0.613 nan 8.150 nan 0.000 0.444 202 Q N -0.909 118.774 119.800 -0.194 0.000 2.124 202 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 202 Q C 2.087 177.965 176.000 -0.204 0.000 0.977 202 Q CA 1.655 57.366 55.803 -0.154 0.000 0.850 202 Q CB -0.308 28.358 28.738 -0.120 0.000 0.901 202 Q HN 0.604 nan 8.270 nan 0.000 0.429 203 M N -0.767 118.603 119.600 -0.383 0.000 2.065 203 M HA -0.220 4.260 4.480 -0.000 0.000 0.259 203 M C 2.014 178.277 176.300 -0.062 0.000 1.069 203 M CA 1.948 57.060 55.300 -0.313 0.000 1.110 203 M CB -1.127 31.201 32.600 -0.455 0.000 1.328 203 M HN 0.476 nan 8.290 nan 0.000 0.405 204 H N -0.241 118.769 119.070 -0.100 0.000 2.290 204 H HA -0.117 4.439 4.556 -0.000 0.000 0.298 204 H C 2.228 177.555 175.328 -0.003 0.000 1.087 204 H CA 1.690 57.718 56.048 -0.033 0.000 1.291 204 H CB -0.150 29.603 29.762 -0.014 0.000 1.369 204 H HN 0.469 nan 8.280 nan 0.000 0.492 205 S N 0.335 116.102 115.700 0.112 0.000 2.522 205 S HA -0.026 4.444 4.470 -0.000 0.000 0.227 205 S C 1.277 175.905 174.600 0.046 0.000 0.986 205 S CA 0.476 58.718 58.200 0.069 0.000 0.929 205 S CB 0.117 63.343 63.200 0.043 0.000 0.769 205 S HN 0.383 nan 8.310 nan 0.000 0.529 206 N N 2.518 121.236 118.700 0.030 0.000 2.238 206 N HA 0.113 4.853 4.740 -0.000 0.000 0.222 206 N C -0.519 175.020 175.510 0.049 0.000 1.133 206 N CA -0.056 53.006 53.050 0.020 0.000 0.854 206 N CB 0.019 38.494 38.487 -0.020 0.000 1.041 206 N HN 0.727 nan 8.380 nan 0.000 0.510 207 N N 0.700 119.459 118.700 0.097 0.000 2.395 207 N HA 0.299 5.039 4.740 -0.000 0.000 0.246 207 N C 0.535 176.166 175.510 0.202 0.000 1.246 207 N CA 0.371 53.511 53.050 0.151 0.000 0.879 207 N CB 0.720 39.340 38.487 0.222 0.000 1.098 207 N HN 0.077 nan 8.380 nan 0.000 0.444 208 G N 0.152 109.060 108.800 0.180 0.000 2.352 208 G HA2 0.117 4.077 3.960 -0.000 0.000 0.302 208 G HA3 0.117 4.077 3.960 -0.000 0.000 0.302 208 G C -2.508 172.365 174.900 -0.044 0.000 1.370 208 G CA -0.617 44.588 45.100 0.176 0.000 0.918 208 G HN 0.401 nan 8.290 nan 0.000 0.610 209 P HA -0.184 nan 4.420 nan 0.000 0.216 209 P C 1.555 178.739 177.300 -0.193 0.000 1.150 209 P CA 1.556 64.440 63.100 -0.360 0.000 0.843 209 P CB 0.167 31.270 31.700 -0.995 0.000 0.787 210 Q N 0.267 119.982 119.800 -0.141 0.000 2.061 210 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 210 Q C 2.109 178.088 176.000 -0.036 0.000 0.984 210 Q CA 1.753 57.513 55.803 -0.071 0.000 0.846 210 Q CB -0.446 28.263 28.738 -0.048 0.000 0.902 210 Q HN 0.353 nan 8.270 nan 0.000 0.421 211 I N -4.209 116.350 120.570 -0.018 0.000 3.793 211 I HA 0.381 4.551 4.170 -0.000 0.000 0.315 211 I C 0.929 177.122 176.117 0.128 0.000 1.275 211 I CA 0.458 61.769 61.300 0.019 0.000 1.214 211 I CB 0.010 37.991 38.000 -0.032 0.000 1.018 211 I HN 0.220 nan 8.210 nan 0.000 0.439 212 G N 1.934 110.772 108.800 0.063 0.000 2.305 212 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.287 212 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.287 212 G C 0.100 175.042 174.900 0.070 0.000 1.036 212 G CA 0.606 45.743 45.100 0.062 0.000 0.887 212 G HN 0.694 nan 8.290 nan 0.000 0.505 213 S N -1.233 114.500 115.700 0.055 0.000 2.571 213 S HA 0.771 5.241 4.470 -0.000 0.000 0.284 213 S C 0.586 175.241 174.600 0.091 0.000 1.128 213 S CA 0.480 58.722 58.200 0.070 0.000 0.970 213 S CB 1.661 64.899 63.200 0.064 0.000 1.039 213 S HN 1.623 nan 8.310 nan 0.000 0.485 214 A N 3.969 126.887 122.820 0.164 0.000 2.390 214 A HA 0.450 4.770 4.320 -0.000 0.000 0.232 214 A C 0.240 177.993 177.584 0.281 0.000 1.233 214 A CA -0.067 52.168 52.037 0.330 0.000 0.907 214 A CB -0.055 19.306 19.000 0.602 0.000 0.967 214 A HN 0.753 nan 8.150 nan 0.000 0.512 215 V N 0.473 120.310 119.914 -0.129 0.000 2.540 215 V HA 0.424 4.543 4.120 -0.000 0.000 0.297 215 V C 1.598 177.672 176.094 -0.034 0.000 1.024 215 V CA 1.240 63.315 62.300 -0.375 0.000 1.105 215 V CB -0.014 31.557 31.823 -0.420 0.000 0.938 215 V HN 1.075 nan 8.190 nan 0.000 0.482 216 G N 2.763 111.548 108.800 -0.025 0.000 2.213 216 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.236 216 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.236 216 G C 0.534 175.507 174.900 0.123 0.000 0.991 216 G CA 0.053 45.138 45.100 -0.025 0.000 0.629 216 G HN 1.317 nan 8.290 nan 0.000 0.517 217 C N 0.230 119.683 119.300 0.254 0.000 2.705 217 C HA 0.749 5.209 4.460 -0.000 0.000 0.365 217 C C 0.448 175.570 174.990 0.220 0.000 1.353 217 C CA -0.235 58.966 59.018 0.305 0.000 2.339 217 C CB 1.165 29.259 27.740 0.590 0.000 2.576 217 C HN 0.873 nan 8.230 nan 0.000 0.716 218 N N 1.345 120.149 118.700 0.174 0.000 2.576 218 N HA 0.397 5.137 4.740 -0.000 0.000 0.269 218 N C -1.936 173.637 175.510 0.105 0.000 1.058 218 N CA -2.158 50.954 53.050 0.103 0.000 0.860 218 N CB 1.430 39.952 38.487 0.059 0.000 1.249 218 N HN 0.372 nan 8.380 nan 0.000 0.525 219 P HA -0.134 nan 4.420 nan 0.000 0.217 219 P C 0.480 177.727 177.300 -0.088 0.000 1.151 219 P CA 1.202 64.218 63.100 -0.140 0.000 0.849 219 P CB 0.402 31.689 31.700 -0.689 0.000 0.787 220 D N -1.151 119.242 120.400 -0.013 0.000 2.116 220 D HA -0.150 4.490 4.640 -0.000 0.000 0.193 220 D C 1.855 178.362 176.300 0.345 0.000 0.998 220 D CA 1.592 55.722 54.000 0.216 0.000 0.836 220 D CB -0.662 40.315 40.800 0.296 0.000 0.951 220 D HN 0.131 nan 8.370 nan 0.000 0.449 221 V N -1.682 118.324 119.914 0.154 0.000 3.125 221 V HA 0.063 4.183 4.120 -0.000 0.000 0.249 221 V C 1.121 177.221 176.094 0.011 0.000 1.113 221 V CA 1.008 63.330 62.300 0.038 0.000 1.106 221 V CB 0.119 31.911 31.823 -0.051 0.000 0.768 221 V HN -0.112 nan 8.190 nan 0.000 0.468 222 D N -0.603 119.813 120.400 0.026 0.000 2.347 222 D HA -0.063 4.577 4.640 -0.000 0.000 0.213 222 D C 1.765 177.975 176.300 -0.151 0.000 0.985 222 D CA 0.749 54.619 54.000 -0.216 0.000 0.879 222 D CB -0.135 40.459 40.800 -0.345 0.000 0.919 222 D HN 0.681 nan 8.370 nan 0.000 0.526 223 W N 1.273 122.527 121.300 -0.076 0.000 2.363 223 W HA -0.221 4.439 4.660 -0.000 0.000 0.296 223 W C 2.365 179.025 176.519 0.236 0.000 1.212 223 W CA 0.591 58.018 57.345 0.137 0.000 1.260 223 W CB 0.180 29.702 29.460 0.104 0.000 1.131 223 W HN 0.047 nan 8.180 nan 0.000 0.530 224 Q N 0.871 120.879 119.800 0.347 0.000 2.061 224 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 224 Q C 2.187 178.280 176.000 0.156 0.000 0.984 224 Q CA 1.793 57.782 55.803 0.310 0.000 0.846 224 Q CB -0.749 28.023 28.738 0.057 0.000 0.902 224 Q HN 0.057 nan 8.270 nan 0.000 0.421 225 R N -1.061 119.423 120.500 -0.027 0.000 2.082 225 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 225 R C 2.109 178.435 176.300 0.043 0.000 1.136 225 R CA 1.791 57.850 56.100 -0.070 0.000 0.935 225 R CB -0.408 29.743 30.300 -0.248 0.000 0.842 225 R HN 0.332 nan 8.270 nan 0.000 0.430 226 F N -0.299 119.685 119.950 0.057 0.000 2.113 226 F HA -0.016 4.511 4.527 -0.000 0.000 0.297 226 F C 2.523 178.257 175.800 -0.110 0.000 1.103 226 F CA 1.028 59.028 58.000 0.001 0.000 1.248 226 F CB -1.510 37.509 39.000 0.033 0.000 0.999 226 F HN 0.166 nan 8.300 nan 0.000 0.475 227 G N 0.215 108.963 108.800 -0.086 0.000 2.586 227 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.218 227 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.218 227 G C 1.688 176.288 174.900 -0.499 0.000 1.216 227 G CA 2.357 46.984 45.100 -0.789 0.000 0.786 227 G HN 0.407 nan 8.290 nan 0.000 0.583 228 T N -1.366 113.144 114.554 -0.074 0.000 2.759 228 T HA -0.200 4.150 4.350 -0.000 0.000 0.269 228 T C 2.028 176.772 174.700 0.074 0.000 1.042 228 T CA 1.829 64.018 62.100 0.149 0.000 1.140 228 T CB -0.518 68.489 68.868 0.231 0.000 0.864 228 T HN 0.569 nan 8.240 nan 0.000 0.455 229 H N 0.680 119.720 119.070 -0.049 0.000 2.293 229 H HA 0.040 4.596 4.556 -0.000 0.000 0.300 229 H C 1.633 176.895 175.328 -0.110 0.000 1.082 229 H CA 1.604 57.580 56.048 -0.120 0.000 1.308 229 H CB -0.574 29.029 29.762 -0.266 0.000 1.375 229 H HN 0.429 nan 8.280 nan 0.000 0.495 230 F N 0.022 119.984 119.950 0.020 0.000 2.502 230 F HA 0.083 4.610 4.527 -0.000 0.000 0.298 230 F C 2.569 178.346 175.800 -0.038 0.000 1.111 230 F CA 0.414 58.377 58.000 -0.062 0.000 1.445 230 F CB -0.119 38.721 39.000 -0.266 0.000 1.081 230 F HN 0.340 nan 8.300 nan 0.000 0.558 231 A N 0.187 123.055 122.820 0.080 0.000 2.070 231 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 231 A C 1.945 179.562 177.584 0.054 0.000 1.159 231 A CA 1.412 53.498 52.037 0.082 0.000 0.656 231 A CB -0.697 18.389 19.000 0.144 0.000 0.800 231 A HN 0.557 nan 8.150 nan 0.000 0.453 232 Q N -1.746 118.055 119.800 0.001 0.000 2.217 232 Q HA 0.252 4.592 4.340 -0.000 0.000 0.226 232 Q C -1.153 174.651 176.000 -0.327 0.000 0.875 232 Q CA -0.301 55.404 55.803 -0.164 0.000 0.974 232 Q CB -0.231 28.349 28.738 -0.264 0.000 1.079 232 Q HN 0.590 nan 8.270 nan 0.000 0.463 233 Y N -0.298 119.957 120.300 -0.076 0.000 2.485 233 Y HA 0.405 4.955 4.550 -0.000 0.000 0.345 233 Y C 1.034 176.897 175.900 -0.062 0.000 0.998 233 Y CA -1.130 56.937 58.100 -0.055 0.000 1.059 233 Y CB 1.667 40.120 38.460 -0.011 0.000 1.234 233 Y HN -0.098 nan 8.280 nan 0.000 0.461 234 R N 0.744 121.290 120.500 0.077 0.000 2.115 234 R HA 0.009 4.349 4.340 -0.000 0.000 0.230 234 R C -0.456 175.809 176.300 -0.059 0.000 1.111 234 R CA 0.956 57.056 56.100 0.000 0.000 0.976 234 R CB 0.038 30.334 30.300 -0.007 0.000 0.870 234 R HN 0.602 nan 8.270 nan 0.000 0.445 235 N N -0.081 118.555 118.700 -0.106 0.000 2.225 235 N HA 0.313 5.053 4.740 -0.000 0.000 0.298 235 N C -1.437 173.704 175.510 -0.615 0.000 1.076 235 N CA -0.399 52.376 53.050 -0.458 0.000 0.792 235 N CB 3.136 41.225 38.487 -0.664 0.000 1.498 235 N HN -0.246 nan 8.380 nan 0.000 0.474 236 V N 1.428 120.888 119.914 -0.756 0.000 2.686 236 V HA 0.502 4.622 4.120 -0.000 0.000 0.306 236 V C -1.064 174.665 176.094 -0.608 0.000 1.065 236 V CA -0.777 61.207 62.300 -0.527 0.000 0.894 236 V CB 2.565 34.214 31.823 -0.290 0.000 1.004 236 V HN 0.572 nan 8.190 nan 0.000 0.424 237 W N 1.751 122.938 121.300 -0.187 0.000 2.656 237 W HA 0.421 5.081 4.660 -0.000 0.000 0.327 237 W C -0.662 175.692 176.519 -0.274 0.000 1.041 237 W CA -0.650 56.540 57.345 -0.259 0.000 1.229 237 W CB 2.073 31.185 29.460 -0.580 0.000 1.397 237 W HN 0.507 nan 8.180 nan 0.000 0.479 238 D N 2.891 123.285 120.400 -0.010 0.000 2.456 238 D HA 0.306 4.946 4.640 -0.000 0.000 0.219 238 D C -0.657 175.639 176.300 -0.006 0.000 1.126 238 D CA -0.024 53.946 54.000 -0.049 0.000 0.890 238 D CB 1.029 41.779 40.800 -0.085 0.000 1.025 238 D HN -0.095 nan 8.370 nan 0.000 0.511 239 V N 3.966 123.856 119.914 -0.040 0.000 2.394 239 V HA 0.263 4.383 4.120 -0.000 0.000 0.282 239 V C 0.166 176.184 176.094 -0.126 0.000 1.031 239 V CA -0.841 61.416 62.300 -0.072 0.000 0.881 239 V CB 1.742 33.403 31.823 -0.270 0.000 0.982 239 V HN 0.356 nan 8.190 nan 0.000 0.451 240 D N 3.074 123.397 120.400 -0.127 0.000 2.168 240 D HA 0.470 5.110 4.640 -0.000 0.000 0.246 240 D C -0.578 175.618 176.300 -0.173 0.000 1.050 240 D CA 0.025 53.972 54.000 -0.089 0.000 0.857 240 D CB 1.462 42.231 40.800 -0.052 0.000 1.169 240 D HN 0.424 nan 8.370 nan 0.000 0.453 241 Y N -0.147 120.155 120.300 0.004 0.000 2.458 241 Y HA 0.355 4.905 4.550 -0.000 0.000 0.322 241 Y C 0.932 176.867 175.900 0.059 0.000 1.259 241 Y CA -0.780 57.358 58.100 0.062 0.000 1.302 241 Y CB 1.381 39.963 38.460 0.204 0.000 1.314 241 Y HN 0.146 nan 8.280 nan 0.000 0.509 242 S N 1.244 117.089 115.700 0.242 0.000 2.566 242 S HA 0.552 5.022 4.470 -0.000 0.000 0.324 242 S C -0.201 174.474 174.600 0.125 0.000 1.081 242 S CA -0.133 58.147 58.200 0.132 0.000 1.105 242 S CB -0.095 63.148 63.200 0.070 0.000 0.981 242 S HN 1.236 nan 8.310 nan 0.000 0.464 243 A N 4.283 127.162 122.820 0.098 0.000 2.560 243 A HA -0.219 4.101 4.320 -0.000 0.000 0.299 243 A C 0.734 178.350 177.584 0.053 0.000 1.484 243 A CA 0.969 53.038 52.037 0.055 0.000 0.749 243 A CB -2.626 16.369 19.000 -0.009 0.000 1.072 243 A HN 1.398 nan 8.150 nan 0.000 0.426 244 F N 0.847 120.760 119.950 -0.061 0.000 2.063 244 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 244 F C 1.735 177.267 175.800 -0.445 0.000 1.109 244 F CA 2.858 60.731 58.000 -0.212 0.000 1.212 244 F CB -0.126 38.748 39.000 -0.210 0.000 0.973 244 F HN 0.522 nan 8.300 nan 0.000 0.480 245 D N 0.220 120.541 120.400 -0.131 0.000 2.104 245 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 245 D C 2.303 178.481 176.300 -0.204 0.000 0.994 245 D CA 1.724 55.628 54.000 -0.159 0.000 0.830 245 D CB -0.712 40.154 40.800 0.109 0.000 0.959 245 D HN 0.392 nan 8.370 nan 0.000 0.452 246 A N 0.339 123.085 122.820 -0.122 0.000 2.016 246 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 246 A C 1.715 179.264 177.584 -0.059 0.000 1.162 246 A CA 0.863 52.881 52.037 -0.031 0.000 0.662 246 A CB -0.140 18.828 19.000 -0.054 0.000 0.812 246 A HN 0.102 nan 8.150 nan 0.000 0.450 247 N N 0.120 118.702 118.700 -0.196 0.000 2.398 247 N HA -0.009 4.731 4.740 -0.000 0.000 0.188 247 N C -0.430 174.974 175.510 -0.176 0.000 1.122 247 N CA 0.103 53.059 53.050 -0.157 0.000 0.866 247 N CB -0.191 38.219 38.487 -0.128 0.000 0.970 247 N HN 0.473 nan 8.380 nan 0.000 0.462 248 H N 0.964 119.954 119.070 -0.134 0.000 3.107 248 H HA -0.019 4.537 4.556 -0.000 0.000 0.301 248 H C 0.971 176.239 175.328 -0.099 0.000 0.981 248 H CA -0.238 55.737 56.048 -0.122 0.000 1.443 248 H CB 0.123 29.807 29.762 -0.130 0.000 1.479 248 H HN 0.226 nan 8.280 nan 0.000 0.564 249 C N 1.903 121.193 119.300 -0.017 0.000 2.398 249 C HA 0.312 4.772 4.460 -0.000 0.000 0.364 249 C C 2.092 177.025 174.990 -0.094 0.000 1.219 249 C CA -0.698 58.277 59.018 -0.073 0.000 2.312 249 C CB 0.915 28.579 27.740 -0.126 0.000 2.428 249 C HN 0.820 nan 8.230 nan 0.000 0.564 250 S N 1.520 117.179 115.700 -0.068 0.000 2.381 250 S HA -0.200 4.270 4.470 -0.000 0.000 0.230 250 S C 1.473 176.009 174.600 -0.106 0.000 1.052 250 S CA 2.503 60.667 58.200 -0.060 0.000 1.068 250 S CB -0.402 62.776 63.200 -0.037 0.000 0.918 250 S HN 0.904 nan 8.310 nan 0.000 0.448 251 D N 1.454 121.769 120.400 -0.142 0.000 2.084 251 D HA -0.048 4.592 4.640 -0.000 0.000 0.194 251 D C 2.244 178.362 176.300 -0.303 0.000 0.990 251 D CA 1.353 55.248 54.000 -0.175 0.000 0.826 251 D CB -0.598 40.099 40.800 -0.171 0.000 0.971 251 D HN 0.420 nan 8.370 nan 0.000 0.453 252 A N 0.977 123.499 122.820 -0.496 0.000 1.877 252 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 252 A C 2.347 179.672 177.584 -0.431 0.000 1.186 252 A CA 1.555 53.075 52.037 -0.862 0.000 0.620 252 A CB -0.623 17.851 19.000 -0.876 0.000 0.822 252 A HN 0.128 nan 8.150 nan 0.000 0.443 253 M N -0.620 118.764 119.600 -0.359 0.000 2.065 253 M HA -0.230 4.250 4.480 -0.000 0.000 0.259 253 M C 2.033 177.939 176.300 -0.657 0.000 1.071 253 M CA 2.228 57.208 55.300 -0.533 0.000 1.109 253 M CB -0.732 31.703 32.600 -0.274 0.000 1.313 253 M HN 0.553 nan 8.290 nan 0.000 0.408 254 N N 0.475 119.034 118.700 -0.235 0.000 2.069 254 N HA -0.147 4.593 4.740 -0.000 0.000 0.191 254 N C 1.621 177.129 175.510 -0.002 0.000 1.031 254 N CA 1.409 54.444 53.050 -0.025 0.000 0.852 254 N CB -0.237 38.271 38.487 0.035 0.000 1.018 254 N HN 0.273 nan 8.380 nan 0.000 0.423 255 I N 0.406 120.971 120.570 -0.008 0.000 2.315 255 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 255 I C 2.477 178.683 176.117 0.148 0.000 1.117 255 I CA 0.692 62.068 61.300 0.126 0.000 1.404 255 I CB -0.194 37.954 38.000 0.246 0.000 1.071 255 I HN 0.326 nan 8.210 nan 0.000 0.419 256 M N 0.898 120.551 119.600 0.088 0.000 2.080 256 M HA -0.247 4.233 4.480 -0.000 0.000 0.260 256 M C 2.311 178.661 176.300 0.084 0.000 1.068 256 M CA 2.268 57.580 55.300 0.019 0.000 1.109 256 M CB -0.606 31.915 32.600 -0.132 0.000 1.342 256 M HN 0.110 nan 8.290 nan 0.000 0.405 257 F N 0.876 120.939 119.950 0.190 0.000 2.171 257 F HA -0.149 4.378 4.527 -0.000 0.000 0.300 257 F C 2.356 178.281 175.800 0.209 0.000 1.090 257 F CA 1.254 59.396 58.000 0.236 0.000 1.293 257 F CB -1.270 37.782 39.000 0.087 0.000 1.013 257 F HN 0.320 nan 8.300 nan 0.000 0.486 258 E N -0.321 120.061 120.200 0.303 0.000 2.152 258 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 258 E C 1.989 178.706 176.600 0.196 0.000 0.983 258 E CA 0.949 57.484 56.400 0.224 0.000 0.818 258 E CB -0.000 29.803 29.700 0.173 0.000 0.758 258 E HN 0.288 nan 8.360 nan 0.000 0.467 259 E N -0.146 120.157 120.200 0.171 0.000 2.216 259 E HA -0.021 4.329 4.350 -0.000 0.000 0.192 259 E C 2.112 178.800 176.600 0.147 0.000 0.973 259 E CA 0.412 56.909 56.400 0.161 0.000 0.851 259 E CB 0.321 30.084 29.700 0.104 0.000 0.804 259 E HN 0.097 nan 8.360 nan 0.000 0.477 260 V N 0.050 119.956 119.914 -0.012 0.000 2.599 260 V HA -0.045 4.075 4.120 -0.000 0.000 0.245 260 V C 0.999 176.735 176.094 -0.596 0.000 1.046 260 V CA 0.982 63.060 62.300 -0.370 0.000 1.065 260 V CB -0.259 31.174 31.823 -0.651 0.000 0.703 260 V HN 0.082 nan 8.190 nan 0.000 0.464 261 F N 0.873 120.686 119.950 -0.228 0.000 2.986 261 F HA 0.405 4.932 4.527 -0.000 0.000 0.297 261 F C 1.027 176.755 175.800 -0.119 0.000 1.210 261 F CA -0.595 56.992 58.000 -0.689 0.000 1.346 261 F CB -0.386 38.111 39.000 -0.840 0.000 1.007 261 F HN -0.058 nan 8.300 nan 0.000 0.512 262 R N -0.122 120.583 120.500 0.343 0.000 2.641 262 R HA 0.116 4.456 4.340 -0.000 0.000 0.269 262 R C 1.731 178.200 176.300 0.282 0.000 1.074 262 R CA 0.591 56.853 56.100 0.270 0.000 1.133 262 R CB 0.503 30.874 30.300 0.118 0.000 1.029 262 R HN 0.344 nan 8.270 nan 0.000 0.488 263 T N -1.969 112.668 114.554 0.138 0.000 2.833 263 T HA -0.214 4.136 4.350 -0.000 0.000 0.269 263 T C 1.595 176.278 174.700 -0.028 0.000 1.054 263 T CA 1.321 63.475 62.100 0.089 0.000 1.135 263 T CB -0.160 68.723 68.868 0.026 0.000 0.869 263 T HN 0.749 nan 8.240 nan 0.000 0.466 264 E N 0.331 120.431 120.200 -0.167 0.000 2.187 264 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 264 E C 0.915 177.266 176.600 -0.415 0.000 1.004 264 E CA 1.209 57.397 56.400 -0.354 0.000 0.813 264 E CB -0.284 29.084 29.700 -0.552 0.000 0.736 264 E HN 0.685 nan 8.360 nan 0.000 0.468 265 F N -0.782 119.150 119.950 -0.031 0.000 2.765 265 F HA 0.314 4.841 4.527 -0.000 0.000 0.302 265 F C 1.555 177.204 175.800 -0.252 0.000 1.111 265 F CA 0.612 58.507 58.000 -0.175 0.000 1.359 265 F CB 0.858 39.645 39.000 -0.355 0.000 1.097 265 F HN 0.166 nan 8.300 nan 0.000 0.577 266 G N -0.335 108.446 108.800 -0.032 0.000 2.131 266 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.223 266 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.223 266 G C 0.075 174.882 174.900 -0.155 0.000 0.990 266 G CA -0.676 44.351 45.100 -0.121 0.000 0.671 266 G HN 0.185 nan 8.290 nan 0.000 0.521 267 F N 1.430 121.415 119.950 0.059 0.000 2.375 267 F HA 0.487 5.014 4.527 -0.000 0.000 0.333 267 F C 1.319 177.178 175.800 0.098 0.000 1.104 267 F CA -0.765 57.297 58.000 0.104 0.000 1.149 267 F CB 0.642 39.737 39.000 0.159 0.000 1.190 267 F HN 0.137 nan 8.300 nan 0.000 0.533 268 H N 4.780 123.973 119.070 0.205 0.000 2.972 268 H HA 0.010 4.566 4.556 -0.000 0.000 0.343 268 H C -1.707 173.708 175.328 0.145 0.000 1.054 268 H CA -1.200 54.922 56.048 0.122 0.000 1.412 268 H CB 1.281 31.083 29.762 0.067 0.000 1.385 268 H HN 0.323 nan 8.280 nan 0.000 0.600 269 P HA -0.177 nan 4.420 nan 0.000 0.218 269 P C 0.791 178.297 177.300 0.343 0.000 1.154 269 P CA 1.612 64.813 63.100 0.167 0.000 0.872 269 P CB 0.308 32.022 31.700 0.022 0.000 0.790 270 N N -1.451 117.618 118.700 0.614 0.000 2.571 270 N HA 0.027 4.767 4.740 -0.000 0.000 0.189 270 N C 1.410 177.078 175.510 0.262 0.000 1.154 270 N CA 0.665 53.960 53.050 0.409 0.000 0.907 270 N CB -0.675 38.014 38.487 0.336 0.000 0.977 270 N HN 0.089 nan 8.380 nan 0.000 0.449 271 A N 0.856 123.783 122.820 0.178 0.000 1.845 271 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 271 A C 2.097 179.590 177.584 -0.153 0.000 1.195 271 A CA 1.461 53.480 52.037 -0.031 0.000 0.616 271 A CB -0.625 18.402 19.000 0.044 0.000 0.832 271 A HN 0.396 nan 8.150 nan 0.000 0.443 272 E N -1.483 118.711 120.200 -0.009 0.000 2.070 272 E HA -0.293 4.057 4.350 -0.000 0.000 0.197 272 E C 1.850 178.450 176.600 -0.001 0.000 1.004 272 E CA 1.800 58.207 56.400 0.010 0.000 0.805 272 E CB -0.328 29.462 29.700 0.151 0.000 0.744 272 E HN 0.766 nan 8.360 nan 0.000 0.451 273 W N 0.762 122.045 121.300 -0.027 0.000 2.355 273 W HA -0.193 4.467 4.660 -0.000 0.000 0.309 273 W C 2.086 178.579 176.519 -0.045 0.000 1.206 273 W CA 1.438 58.782 57.345 -0.002 0.000 1.284 273 W CB -0.477 29.013 29.460 0.051 0.000 1.145 273 W HN 0.195 nan 8.180 nan 0.000 0.502 274 I N 0.946 121.490 120.570 -0.044 0.000 2.163 274 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 274 I C 2.271 178.106 176.117 -0.470 0.000 1.085 274 I CA 1.866 62.968 61.300 -0.329 0.000 1.347 274 I CB -0.834 37.132 38.000 -0.056 0.000 1.044 274 I HN 0.050 nan 8.210 nan 0.000 0.408 275 L N -0.209 120.669 121.223 -0.574 0.000 2.131 275 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 275 L C 2.355 178.701 176.870 -0.873 0.000 1.092 275 L CA 1.195 55.487 54.840 -0.913 0.000 0.759 275 L CB -0.738 40.358 42.059 -1.605 0.000 0.903 275 L HN 0.133 nan 8.230 nan 0.000 0.435 276 K N -0.261 119.792 120.400 -0.578 0.000 2.362 276 K HA -0.106 4.214 4.320 -0.000 0.000 0.200 276 K C 2.011 178.500 176.600 -0.185 0.000 1.046 276 K CA 1.550 57.713 56.287 -0.206 0.000 0.952 276 K CB -0.156 32.286 32.500 -0.097 0.000 0.753 276 K HN 0.463 nan 8.250 nan 0.000 0.466 277 T N -1.192 113.181 114.554 -0.301 0.000 3.113 277 T HA 0.004 4.354 4.350 -0.000 0.000 0.263 277 T C 1.600 176.336 174.700 0.060 0.000 1.143 277 T CA 0.486 62.514 62.100 -0.121 0.000 1.090 277 T CB -0.180 68.681 68.868 -0.011 0.000 0.922 277 T HN 0.094 nan 8.240 nan 0.000 0.521 278 L N 0.406 121.660 121.223 0.051 0.000 2.492 278 L HA 0.149 4.489 4.340 -0.000 0.000 0.223 278 L C 2.563 179.493 176.870 0.100 0.000 1.132 278 L CA -0.014 54.889 54.840 0.105 0.000 0.850 278 L CB -0.387 41.738 42.059 0.111 0.000 0.966 278 L HN 0.144 nan 8.230 nan 0.000 0.454 279 V N -0.030 119.937 119.914 0.087 0.000 2.283 279 V HA -0.171 3.949 4.120 -0.000 0.000 0.243 279 V C 0.430 176.534 176.094 0.016 0.000 1.039 279 V CA 1.412 63.759 62.300 0.078 0.000 1.016 279 V CB -0.544 31.330 31.823 0.086 0.000 0.650 279 V HN 0.542 nan 8.190 nan 0.000 0.449 280 N N 0.492 119.172 118.700 -0.032 0.000 2.479 280 N HA 0.512 5.252 4.740 -0.000 0.000 0.261 280 N C -0.666 174.746 175.510 -0.162 0.000 0.979 280 N CA -0.162 52.841 53.050 -0.077 0.000 0.930 280 N CB 1.641 40.085 38.487 -0.072 0.000 1.172 280 N HN 0.436 nan 8.380 nan 0.000 0.499 281 T N -1.668 112.775 114.554 -0.185 0.000 2.907 281 T HA 0.421 4.771 4.350 -0.000 0.000 0.292 281 T C -0.666 173.792 174.700 -0.404 0.000 1.043 281 T CA -0.940 60.941 62.100 -0.365 0.000 1.003 281 T CB 2.222 70.869 68.868 -0.369 0.000 1.084 281 T HN 0.332 nan 8.240 nan 0.000 0.483 282 E N 1.104 120.991 120.200 -0.520 0.000 2.156 282 E HA 0.259 4.609 4.350 -0.000 0.000 0.279 282 E C -0.801 175.527 176.600 -0.454 0.000 0.965 282 E CA -0.800 55.373 56.400 -0.377 0.000 0.789 282 E CB 0.581 30.103 29.700 -0.297 0.000 1.098 282 E HN 0.640 nan 8.360 nan 0.000 0.397 283 H N 1.853 120.878 119.070 -0.074 0.000 2.466 283 H HA 0.453 5.009 4.556 -0.000 0.000 0.338 283 H C -0.771 174.581 175.328 0.039 0.000 1.091 283 H CA -0.765 55.292 56.048 0.014 0.000 1.207 283 H CB 1.830 31.626 29.762 0.055 0.000 1.466 283 H HN 0.500 nan 8.280 nan 0.000 0.493 284 A N 3.681 126.622 122.820 0.203 0.000 2.276 284 A HA 0.383 4.703 4.320 -0.000 0.000 0.316 284 A C -1.480 176.282 177.584 0.297 0.000 1.229 284 A CA -0.494 51.647 52.037 0.173 0.000 0.851 284 A CB 0.334 19.399 19.000 0.107 0.000 1.165 284 A HN 0.664 nan 8.150 nan 0.000 0.513 285 Y N 2.291 122.649 120.300 0.098 0.000 2.344 285 Y HA 0.376 4.926 4.550 -0.000 0.000 0.328 285 Y C 0.509 176.433 175.900 0.039 0.000 1.067 285 Y CA -0.389 57.784 58.100 0.122 0.000 1.247 285 Y CB 0.305 38.938 38.460 0.288 0.000 1.113 285 Y HN 1.119 nan 8.280 nan 0.000 0.465 286 E N 1.233 121.221 120.200 -0.354 0.000 3.365 286 E HA -0.459 3.891 4.350 -0.000 0.000 0.433 286 E C 0.767 177.231 176.600 -0.227 0.000 1.581 286 E CA 2.229 58.388 56.400 -0.403 0.000 1.316 286 E CB -0.684 28.662 29.700 -0.589 0.000 1.452 286 E HN 0.795 nan 8.360 nan 0.000 0.452 287 N N 1.825 120.405 118.700 -0.200 0.000 2.250 287 N HA -0.025 4.715 4.740 -0.000 0.000 0.181 287 N C 0.566 176.044 175.510 -0.055 0.000 1.017 287 N CA 1.239 54.223 53.050 -0.110 0.000 0.866 287 N CB -0.090 38.340 38.487 -0.094 0.000 0.985 287 N HN 0.052 nan 8.380 nan 0.000 0.429 288 K N 0.414 120.801 120.400 -0.022 0.000 2.336 288 K HA 0.174 4.494 4.320 -0.000 0.000 0.262 288 K C -0.324 176.286 176.600 0.017 0.000 0.992 288 K CA 0.066 56.363 56.287 0.016 0.000 0.927 288 K CB 0.498 33.050 32.500 0.087 0.000 0.956 288 K HN 0.087 nan 8.250 nan 0.000 0.495 289 R N 2.580 123.067 120.500 -0.021 0.000 2.538 289 R HA 0.402 4.742 4.340 -0.000 0.000 0.292 289 R C -1.125 175.128 176.300 -0.078 0.000 1.008 289 R CA -0.767 55.313 56.100 -0.032 0.000 0.896 289 R CB 0.948 31.222 30.300 -0.042 0.000 1.187 289 R HN 0.468 nan 8.270 nan 0.000 0.440 290 I N 1.453 121.971 120.570 -0.087 0.000 2.410 290 I HA 0.237 4.407 4.170 -0.000 0.000 0.286 290 I C 0.235 176.305 176.117 -0.079 0.000 1.009 290 I CA -0.200 61.016 61.300 -0.139 0.000 1.111 290 I CB 2.103 39.920 38.000 -0.304 0.000 1.262 290 I HN 0.305 nan 8.210 nan 0.000 0.443 291 T N 5.910 120.403 114.554 -0.101 0.000 2.749 291 T HA 0.529 4.879 4.350 -0.000 0.000 0.295 291 T C -0.074 174.562 174.700 -0.107 0.000 0.936 291 T CA -0.336 61.703 62.100 -0.102 0.000 1.060 291 T CB 0.610 69.416 68.868 -0.104 0.000 0.904 291 T HN 0.230 nan 8.240 nan 0.000 0.500 292 V N 4.047 123.906 119.914 -0.092 0.000 2.604 292 V HA 0.420 4.540 4.120 -0.000 0.000 0.305 292 V C -0.030 176.007 176.094 -0.095 0.000 1.043 292 V CA -0.996 61.223 62.300 -0.136 0.000 0.888 292 V CB 2.023 33.725 31.823 -0.201 0.000 0.995 292 V HN 0.812 nan 8.190 nan 0.000 0.429 293 E N 2.816 122.960 120.200 -0.092 0.000 2.113 293 E HA 0.625 4.975 4.350 -0.000 0.000 0.273 293 E C 0.338 176.916 176.600 -0.036 0.000 0.924 293 E CA 0.057 56.424 56.400 -0.055 0.000 0.764 293 E CB 1.826 31.497 29.700 -0.048 0.000 1.104 293 E HN 1.128 nan 8.360 nan 0.000 0.406 294 G N 1.985 110.783 108.800 -0.005 0.000 2.663 294 G HA2 0.256 4.216 3.960 -0.000 0.000 0.686 294 G HA3 0.256 4.216 3.960 -0.000 0.000 0.686 294 G C 0.106 175.047 174.900 0.067 0.000 1.288 294 G CA -0.444 44.671 45.100 0.024 0.000 0.836 294 G HN 1.037 nan 8.290 nan 0.000 0.584 295 G N -0.849 108.012 108.800 0.102 0.000 2.733 295 G HA2 0.341 4.301 3.960 -0.000 0.000 0.686 295 G HA3 0.341 4.301 3.960 -0.000 0.000 0.686 295 G C -0.182 174.835 174.900 0.195 0.000 1.373 295 G CA 0.228 45.417 45.100 0.149 0.000 0.838 295 G HN 1.592 nan 8.290 nan 0.000 0.588 296 M N 1.610 121.356 119.600 0.243 0.000 2.209 296 M HA 0.375 4.855 4.480 -0.000 0.000 0.355 296 M C -1.984 174.445 176.300 0.214 0.000 1.171 296 M CA -2.338 53.108 55.300 0.245 0.000 1.069 296 M CB 0.880 33.666 32.600 0.310 0.000 1.622 296 M HN 0.342 nan 8.290 nan 0.000 0.459 297 P HA 0.134 nan 4.420 nan 0.000 0.276 297 P C -0.615 176.784 177.300 0.165 0.000 1.235 297 P CA -0.324 62.904 63.100 0.214 0.000 0.772 297 P CB 0.371 32.198 31.700 0.212 0.000 0.871 298 S N 2.218 118.007 115.700 0.149 0.000 2.409 298 S HA 0.552 5.022 4.470 -0.000 0.000 0.308 298 S C 0.977 175.637 174.600 0.100 0.000 1.080 298 S CA 0.299 58.572 58.200 0.122 0.000 1.081 298 S CB -0.651 62.612 63.200 0.105 0.000 1.009 298 S HN 0.802 nan 8.310 nan 0.000 0.502 299 G N 2.016 110.867 108.800 0.085 0.000 2.977 299 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.211 299 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.211 299 G C 0.378 175.301 174.900 0.038 0.000 0.994 299 G CA -0.124 45.008 45.100 0.054 0.000 0.795 299 G HN 1.501 nan 8.290 nan 0.000 0.518 300 C N 1.408 120.733 119.300 0.040 0.000 2.604 300 C HA 0.784 5.244 4.460 -0.000 0.000 0.396 300 C C 1.516 176.536 174.990 0.050 0.000 1.282 300 C CA 0.267 59.288 59.018 0.005 0.000 2.292 300 C CB 0.854 28.582 27.740 -0.020 0.000 2.633 300 C HN 0.903 nan 8.230 nan 0.000 0.620 301 S N 2.318 118.054 115.700 0.059 0.000 2.563 301 S HA 0.396 4.866 4.470 -0.000 0.000 0.284 301 S C 1.148 175.800 174.600 0.086 0.000 1.331 301 S CA 0.885 59.131 58.200 0.077 0.000 1.047 301 S CB 0.030 63.275 63.200 0.075 0.000 0.859 301 S HN 2.733 nan 8.310 nan 0.000 0.514 302 A N 2.784 125.672 122.820 0.113 0.000 2.847 302 A HA -0.185 4.135 4.320 -0.000 0.000 0.263 302 A C 1.631 179.305 177.584 0.150 0.000 1.391 302 A CA 1.718 53.842 52.037 0.144 0.000 0.866 302 A CB -2.953 16.132 19.000 0.142 0.000 1.057 302 A HN 1.050 nan 8.150 nan 0.000 0.673 303 T N -0.789 113.847 114.554 0.136 0.000 2.684 303 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 303 T C 2.015 176.816 174.700 0.169 0.000 1.036 303 T CA 2.620 64.811 62.100 0.151 0.000 1.148 303 T CB -0.255 68.697 68.868 0.141 0.000 0.863 303 T HN 0.823 nan 8.240 nan 0.000 0.436 304 S N 0.351 116.141 115.700 0.149 0.000 2.383 304 S HA 0.078 4.548 4.470 -0.000 0.000 0.227 304 S C 1.928 176.582 174.600 0.089 0.000 1.026 304 S CA 0.965 59.233 58.200 0.114 0.000 0.981 304 S CB -0.292 62.934 63.200 0.042 0.000 0.818 304 S HN 0.473 nan 8.310 nan 0.000 0.472 305 I N 0.871 121.521 120.570 0.133 0.000 2.286 305 I HA -0.116 4.053 4.170 -0.000 0.000 0.245 305 I C 1.882 178.138 176.117 0.231 0.000 1.104 305 I CA 0.955 62.361 61.300 0.177 0.000 1.397 305 I CB -0.154 37.988 38.000 0.238 0.000 1.072 305 I HN 0.241 nan 8.210 nan 0.000 0.417 306 I N 0.616 121.329 120.570 0.238 0.000 2.179 306 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 306 I C 2.184 178.372 176.117 0.118 0.000 1.088 306 I CA 1.197 62.634 61.300 0.229 0.000 1.357 306 I CB -0.505 37.639 38.000 0.241 0.000 1.051 306 I HN 0.280 nan 8.210 nan 0.000 0.409 307 N N 0.332 119.132 118.700 0.166 0.000 2.104 307 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 307 N C 1.870 177.526 175.510 0.243 0.000 1.024 307 N CA 1.951 55.175 53.050 0.289 0.000 0.853 307 N CB -0.593 38.156 38.487 0.436 0.000 1.008 307 N HN 0.325 nan 8.380 nan 0.000 0.424 308 T N 1.883 116.525 114.554 0.147 0.000 2.737 308 T HA 0.023 4.373 4.350 -0.000 0.000 0.265 308 T C 2.161 176.886 174.700 0.041 0.000 1.038 308 T CA 0.621 62.775 62.100 0.090 0.000 1.144 308 T CB -0.164 68.742 68.868 0.064 0.000 0.866 308 T HN 0.155 nan 8.240 nan 0.000 0.434 309 I N 0.810 121.428 120.570 0.080 0.000 2.099 309 I HA -0.185 3.985 4.170 -0.000 0.000 0.239 309 I C 2.348 178.360 176.117 -0.175 0.000 1.066 309 I CA 1.362 62.687 61.300 0.042 0.000 1.324 309 I CB -0.458 37.667 38.000 0.208 0.000 1.037 309 I HN 0.181 nan 8.210 nan 0.000 0.401 310 L N 0.279 121.392 121.223 -0.183 0.000 2.043 310 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 310 L C 2.291 178.800 176.870 -0.603 0.000 1.075 310 L CA 1.879 56.440 54.840 -0.465 0.000 0.752 310 L CB -0.791 40.871 42.059 -0.663 0.000 0.891 310 L HN 0.389 nan 8.230 nan 0.000 0.432 311 N N -0.221 118.403 118.700 -0.128 0.000 2.043 311 N HA -0.224 4.516 4.740 -0.000 0.000 0.193 311 N C 1.723 177.261 175.510 0.046 0.000 1.037 311 N CA 1.288 54.399 53.050 0.101 0.000 0.851 311 N CB 0.034 38.580 38.487 0.098 0.000 1.027 311 N HN 0.309 nan 8.380 nan 0.000 0.422 312 N N 0.558 119.168 118.700 -0.151 0.000 2.137 312 N HA -0.167 4.572 4.740 -0.000 0.000 0.190 312 N C 1.736 177.065 175.510 -0.301 0.000 1.017 312 N CA 1.173 54.038 53.050 -0.309 0.000 0.859 312 N CB -0.148 37.822 38.487 -0.861 0.000 1.002 312 N HN 0.406 nan 8.380 nan 0.000 0.428 313 I N -0.052 120.302 120.570 -0.361 0.000 2.500 313 I HA -0.204 3.966 4.170 -0.000 0.000 0.252 313 I C 1.833 178.000 176.117 0.084 0.000 1.142 313 I CA 0.595 61.746 61.300 -0.247 0.000 1.451 313 I CB -0.305 37.436 38.000 -0.432 0.000 1.093 313 I HN 0.023 nan 8.210 nan 0.000 0.430 314 Y N 0.971 121.360 120.300 0.149 0.000 2.181 314 Y HA -0.176 4.373 4.550 -0.000 0.000 0.288 314 Y C 2.683 178.660 175.900 0.128 0.000 1.146 314 Y CA 0.770 59.031 58.100 0.267 0.000 1.164 314 Y CB -1.270 37.509 38.460 0.531 0.000 0.982 314 Y HN -0.043 nan 8.280 nan 0.000 0.515 315 V N -0.360 119.774 119.914 0.367 0.000 2.343 315 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 315 V C 2.386 178.425 176.094 -0.092 0.000 1.051 315 V CA 1.483 63.883 62.300 0.167 0.000 1.036 315 V CB -1.008 30.932 31.823 0.195 0.000 0.654 315 V HN 0.276 nan 8.190 nan 0.000 0.451 316 L N -0.397 120.841 121.223 0.026 0.000 1.994 316 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 316 L C 2.359 179.212 176.870 -0.028 0.000 1.071 316 L CA 2.229 57.086 54.840 0.028 0.000 0.745 316 L CB -1.007 41.128 42.059 0.127 0.000 0.892 316 L HN 0.459 nan 8.230 nan 0.000 0.431 317 Y N 0.243 120.480 120.300 -0.105 0.000 2.081 317 Y HA -0.337 4.213 4.550 -0.000 0.000 0.280 317 Y C 2.371 178.131 175.900 -0.233 0.000 1.163 317 Y CA 2.410 60.446 58.100 -0.106 0.000 1.135 317 Y CB -0.657 37.831 38.460 0.047 0.000 0.970 317 Y HN 0.273 nan 8.280 nan 0.000 0.498 318 A N 0.326 122.982 122.820 -0.273 0.000 1.883 318 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 318 A C 2.293 179.542 177.584 -0.558 0.000 1.186 318 A CA 2.070 53.755 52.037 -0.588 0.000 0.624 318 A CB -1.201 17.085 19.000 -1.190 0.000 0.822 318 A HN 0.588 nan 8.150 nan 0.000 0.444 319 L N -1.489 119.469 121.223 -0.441 0.000 2.109 319 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 319 L C 2.816 179.528 176.870 -0.263 0.000 1.086 319 L CA 1.228 55.868 54.840 -0.333 0.000 0.760 319 L CB -0.360 41.517 42.059 -0.304 0.000 0.910 319 L HN 0.309 nan 8.230 nan 0.000 0.437 320 R N -0.480 119.857 120.500 -0.273 0.000 2.148 320 R HA -0.119 4.221 4.340 -0.000 0.000 0.227 320 R C 2.314 178.396 176.300 -0.364 0.000 1.103 320 R CA 0.817 56.774 56.100 -0.239 0.000 0.983 320 R CB -0.152 30.042 30.300 -0.177 0.000 0.874 320 R HN 0.225 nan 8.270 nan 0.000 0.451 321 R N -0.855 119.296 120.500 -0.582 0.000 2.235 321 R HA -0.124 4.216 4.340 -0.000 0.000 0.213 321 R C 1.427 177.252 176.300 -0.791 0.000 1.059 321 R CA 1.226 56.898 56.100 -0.713 0.000 0.997 321 R CB 0.065 29.807 30.300 -0.930 0.000 0.884 321 R HN 0.262 nan 8.270 nan 0.000 0.462 322 H N -1.912 116.619 119.070 -0.899 0.000 2.545 322 H HA 0.215 4.771 4.556 -0.000 0.000 0.283 322 H C -0.541 174.420 175.328 -0.611 0.000 0.997 322 H CA 0.469 56.030 56.048 -0.811 0.000 1.269 322 H CB 0.402 29.614 29.762 -0.916 0.000 1.451 322 H HN -0.009 nan 8.280 nan 0.000 0.508 323 Y N 0.245 120.399 120.300 -0.244 0.000 2.602 323 Y HA 0.408 4.958 4.550 -0.000 0.000 0.330 323 Y C -0.035 175.750 175.900 -0.193 0.000 1.114 323 Y CA -1.123 56.845 58.100 -0.219 0.000 1.182 323 Y CB 1.561 39.922 38.460 -0.165 0.000 1.305 323 Y HN 0.023 nan 8.280 nan 0.000 0.502 324 E N -0.712 119.514 120.200 0.044 0.000 2.207 324 E HA 0.438 4.788 4.350 -0.000 0.000 0.270 324 E C 0.165 176.743 176.600 -0.036 0.000 0.927 324 E CA 0.184 56.570 56.400 -0.022 0.000 0.799 324 E CB 1.605 31.285 29.700 -0.033 0.000 1.172 324 E HN 0.849 nan 8.360 nan 0.000 0.404 325 G N 1.391 110.166 108.800 -0.041 0.000 2.184 325 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.264 325 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.264 325 G C 0.253 175.117 174.900 -0.059 0.000 0.975 325 G CA 0.206 45.278 45.100 -0.046 0.000 0.642 325 G HN 0.433 nan 8.290 nan 0.000 0.536 326 V N 1.861 121.742 119.914 -0.056 0.000 2.458 326 V HA 0.370 4.490 4.120 -0.000 0.000 0.287 326 V C 0.403 176.510 176.094 0.020 0.000 1.009 326 V CA 0.446 62.724 62.300 -0.038 0.000 1.091 326 V CB 1.004 32.812 31.823 -0.023 0.000 0.960 326 V HN 0.376 nan 8.190 nan 0.000 0.476 327 E N 3.583 123.809 120.200 0.044 0.000 2.339 327 E HA 0.422 4.772 4.350 -0.000 0.000 0.262 327 E C 0.888 177.538 176.600 0.083 0.000 0.934 327 E CA -0.956 55.480 56.400 0.059 0.000 0.802 327 E CB 1.703 31.419 29.700 0.026 0.000 1.275 327 E HN 0.335 nan 8.360 nan 0.000 0.427 328 L N 0.469 121.709 121.223 0.028 0.000 2.189 328 L HA -0.205 4.135 4.340 -0.000 0.000 0.214 328 L C 1.038 177.745 176.870 -0.272 0.000 1.097 328 L CA 1.339 56.118 54.840 -0.102 0.000 0.764 328 L CB -0.068 41.960 42.059 -0.052 0.000 0.900 328 L HN 0.343 nan 8.230 nan 0.000 0.436 329 D N -1.672 118.670 120.400 -0.098 0.000 2.342 329 D HA 0.005 4.645 4.640 -0.000 0.000 0.221 329 D C 1.750 178.091 176.300 0.069 0.000 1.101 329 D CA 0.349 54.322 54.000 -0.045 0.000 0.837 329 D CB 0.379 41.191 40.800 0.020 0.000 0.938 329 D HN 0.237 nan 8.370 nan 0.000 0.508 330 T N 0.046 114.659 114.554 0.098 0.000 3.007 330 T HA -0.080 4.270 4.350 -0.000 0.000 0.270 330 T C 0.472 175.413 174.700 0.401 0.000 1.107 330 T CA 0.983 63.197 62.100 0.190 0.000 1.118 330 T CB -0.017 68.917 68.868 0.110 0.000 0.889 330 T HN 0.349 nan 8.240 nan 0.000 0.506 331 Y N -1.643 118.755 120.300 0.164 0.000 2.764 331 Y HA 0.713 5.263 4.550 -0.000 0.000 0.331 331 Y C -0.789 175.177 175.900 0.111 0.000 1.280 331 Y CA -1.659 56.549 58.100 0.180 0.000 1.065 331 Y CB 1.179 39.747 38.460 0.180 0.000 1.319 331 Y HN -0.219 nan 8.280 nan 0.000 0.453 332 T N 1.916 116.537 114.554 0.112 0.000 2.900 332 T HA 0.798 5.148 4.350 -0.000 0.000 0.303 332 T C -1.319 173.532 174.700 0.252 0.000 1.142 332 T CA -0.588 61.504 62.100 -0.014 0.000 1.007 332 T CB 1.016 69.790 68.868 -0.156 0.000 1.156 332 T HN 1.084 nan 8.240 nan 0.000 0.490 333 M N 2.960 122.680 119.600 0.200 0.000 2.603 333 M HA 0.717 5.197 4.480 -0.000 0.000 0.275 333 M C -2.021 174.361 176.300 0.137 0.000 1.226 333 M CA -1.043 54.414 55.300 0.262 0.000 0.870 333 M CB 2.076 34.843 32.600 0.278 0.000 1.716 333 M HN 0.580 nan 8.290 nan 0.000 0.482 334 I N 1.869 122.461 120.570 0.037 0.000 2.619 334 I HA 0.802 4.972 4.170 -0.000 0.000 0.292 334 I C -1.135 174.903 176.117 -0.130 0.000 1.100 334 I CA -0.061 61.167 61.300 -0.120 0.000 1.043 334 I CB 2.209 40.005 38.000 -0.340 0.000 1.239 334 I HN 1.040 nan 8.210 nan 0.000 0.420 335 S N 5.458 121.212 115.700 0.089 0.000 2.627 335 S HA 0.566 5.036 4.470 -0.000 0.000 0.283 335 S C -1.475 173.381 174.600 0.427 0.000 1.127 335 S CA -0.545 57.834 58.200 0.298 0.000 0.863 335 S CB 1.754 65.057 63.200 0.171 0.000 1.121 335 S HN 0.644 nan 8.310 nan 0.000 0.479 336 Y N 1.330 121.816 120.300 0.310 0.000 2.535 336 Y HA 0.513 5.063 4.550 -0.000 0.000 0.341 336 Y C 0.841 176.762 175.900 0.036 0.000 1.041 336 Y CA 0.445 58.618 58.100 0.122 0.000 1.307 336 Y CB 0.420 38.852 38.460 -0.047 0.000 1.095 336 Y HN 1.516 nan 8.280 nan 0.000 0.534 337 G N 3.806 112.722 108.800 0.195 0.000 2.556 337 G HA2 -0.421 3.538 3.960 -0.000 0.000 0.283 337 G HA3 -0.421 3.538 3.960 -0.000 0.000 0.283 337 G C 0.911 175.739 174.900 -0.119 0.000 1.177 337 G CA 0.598 45.787 45.100 0.149 0.000 0.978 337 G HN 0.707 nan 8.290 nan 0.000 0.554 338 D N 1.032 121.276 120.400 -0.260 0.000 2.178 338 D HA -0.052 4.588 4.640 -0.000 0.000 0.201 338 D C 0.701 176.862 176.300 -0.231 0.000 0.980 338 D CA 1.183 54.740 54.000 -0.739 0.000 0.842 338 D CB -0.357 40.245 40.800 -0.329 0.000 0.948 338 D HN 0.390 nan 8.370 nan 0.000 0.472 339 D N 0.616 121.015 120.400 -0.001 0.000 2.425 339 D HA 0.292 4.931 4.640 -0.000 0.000 0.247 339 D C -0.260 176.283 176.300 0.405 0.000 1.147 339 D CA -0.071 54.027 54.000 0.163 0.000 0.879 339 D CB 0.785 41.596 40.800 0.020 0.000 1.179 339 D HN 0.253 nan 8.370 nan 0.000 0.456 340 I N 2.203 122.985 120.570 0.353 0.000 2.752 340 I HA 0.364 4.534 4.170 -0.000 0.000 0.295 340 I C -1.735 174.345 176.117 -0.062 0.000 1.219 340 I CA -0.709 60.694 61.300 0.172 0.000 1.030 340 I CB 2.036 40.132 38.000 0.161 0.000 1.259 340 I HN 0.054 nan 8.210 nan 0.000 0.423 341 V N 7.129 126.834 119.914 -0.348 0.000 2.487 341 V HA 0.522 4.642 4.120 -0.000 0.000 0.298 341 V C -0.420 175.503 176.094 -0.286 0.000 1.028 341 V CA -0.539 61.470 62.300 -0.484 0.000 0.860 341 V CB 1.807 33.017 31.823 -1.023 0.000 0.991 341 V HN 0.497 nan 8.190 nan 0.000 0.427 342 V N 3.292 123.153 119.914 -0.089 0.000 2.667 342 V HA 0.984 5.104 4.120 -0.000 0.000 0.308 342 V C 0.244 176.510 176.094 0.286 0.000 1.048 342 V CA -0.396 62.026 62.300 0.203 0.000 0.928 342 V CB 1.596 33.604 31.823 0.309 0.000 1.004 342 V HN 1.059 nan 8.190 nan 0.000 0.444 343 A N 2.459 125.502 122.820 0.373 0.000 2.566 343 A HA 0.985 5.305 4.320 -0.000 0.000 0.292 343 A C -0.601 177.147 177.584 0.274 0.000 1.112 343 A CA -0.429 51.742 52.037 0.223 0.000 0.707 343 A CB 2.223 21.254 19.000 0.051 0.000 1.302 343 A HN 1.182 nan 8.150 nan 0.000 0.409 344 S N -0.855 115.038 115.700 0.321 0.000 2.608 344 S HA 0.373 4.843 4.470 -0.000 0.000 0.285 344 S C -0.967 173.917 174.600 0.473 0.000 1.108 344 S CA -0.298 58.217 58.200 0.524 0.000 0.858 344 S CB 1.106 64.713 63.200 0.678 0.000 1.077 344 S HN 0.584 nan 8.310 nan 0.000 0.450 345 D N 1.053 121.700 120.400 0.413 0.000 2.249 345 D HA 0.125 4.765 4.640 -0.000 0.000 0.205 345 D C 0.179 176.511 176.300 0.054 0.000 0.962 345 D CA 1.031 55.104 54.000 0.122 0.000 0.860 345 D CB -0.095 40.660 40.800 -0.075 0.000 0.955 345 D HN 0.546 nan 8.370 nan 0.000 0.505 346 Y N 1.367 121.777 120.300 0.184 0.000 2.550 346 Y HA 0.035 4.585 4.550 -0.000 0.000 0.343 346 Y C 0.727 176.759 175.900 0.220 0.000 1.245 346 Y CA 0.035 58.218 58.100 0.138 0.000 1.462 346 Y CB 0.409 38.915 38.460 0.076 0.000 1.340 346 Y HN -0.254 nan 8.280 nan 0.000 0.604 347 D N 2.825 123.417 120.400 0.319 0.000 2.564 347 D HA 0.225 4.865 4.640 -0.000 0.000 0.226 347 D C -0.674 175.833 176.300 0.345 0.000 1.149 347 D CA -0.031 54.170 54.000 0.335 0.000 0.994 347 D CB -0.303 40.629 40.800 0.219 0.000 1.029 347 D HN 0.299 nan 8.370 nan 0.000 0.517 348 L N 0.725 122.218 121.223 0.450 0.000 2.416 348 L HA 0.194 4.533 4.340 -0.000 0.000 0.272 348 L C 0.857 177.833 176.870 0.176 0.000 1.161 348 L CA -0.252 54.684 54.840 0.161 0.000 0.845 348 L CB 0.617 42.586 42.059 -0.151 0.000 1.119 348 L HN 0.041 nan 8.230 nan 0.000 0.464 349 D N 2.172 122.652 120.400 0.134 0.000 2.479 349 D HA 0.134 4.774 4.640 -0.000 0.000 0.218 349 D C 0.649 176.831 176.300 -0.197 0.000 1.131 349 D CA -0.251 53.798 54.000 0.081 0.000 0.916 349 D CB 0.478 41.364 40.800 0.142 0.000 1.022 349 D HN 0.301 nan 8.370 nan 0.000 0.515 350 F N 1.478 121.191 119.950 -0.395 0.000 2.293 350 F HA -0.081 4.446 4.527 -0.000 0.000 0.300 350 F C 2.237 177.769 175.800 -0.445 0.000 1.086 350 F CA 0.662 58.243 58.000 -0.699 0.000 1.375 350 F CB 0.116 38.218 39.000 -1.498 0.000 1.045 350 F HN 0.349 nan 8.300 nan 0.000 0.516 351 E N 0.550 120.773 120.200 0.039 0.000 2.077 351 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 351 E C 2.190 178.778 176.600 -0.020 0.000 0.989 351 E CA 1.330 57.824 56.400 0.156 0.000 0.800 351 E CB -0.342 29.481 29.700 0.205 0.000 0.746 351 E HN 0.233 nan 8.360 nan 0.000 0.452 352 A N -0.042 122.691 122.820 -0.146 0.000 2.066 352 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 352 A C 2.081 179.398 177.584 -0.445 0.000 1.157 352 A CA 0.705 52.557 52.037 -0.309 0.000 0.670 352 A CB -0.441 18.303 19.000 -0.427 0.000 0.804 352 A HN 0.314 nan 8.150 nan 0.000 0.453 353 L N -0.702 120.299 121.223 -0.370 0.000 2.291 353 L HA -0.138 4.202 4.340 -0.000 0.000 0.214 353 L C 2.264 179.147 176.870 0.022 0.000 1.120 353 L CA 0.801 55.519 54.840 -0.203 0.000 0.799 353 L CB -0.420 41.474 42.059 -0.275 0.000 0.925 353 L HN 0.361 nan 8.230 nan 0.000 0.446 354 K N 0.625 121.026 120.400 0.000 0.000 2.032 354 K HA -0.220 4.100 4.320 -0.000 0.000 0.218 354 K C -0.428 176.197 176.600 0.042 0.000 1.054 354 K CA 2.014 58.345 56.287 0.074 0.000 0.941 354 K CB -1.518 31.012 32.500 0.051 0.000 0.720 354 K HN 0.324 nan 8.250 nan 0.000 0.449 355 P HA -0.145 nan 4.420 nan 0.000 0.222 355 P C 0.703 177.894 177.300 -0.181 0.000 1.147 355 P CA 1.581 64.574 63.100 -0.179 0.000 0.790 355 P CB -0.101 31.425 31.700 -0.291 0.000 0.780 356 H N -1.439 117.613 119.070 -0.031 0.000 2.363 356 H HA 0.007 4.563 4.556 -0.000 0.000 0.301 356 H C 1.842 177.151 175.328 -0.032 0.000 1.074 356 H CA 0.950 56.940 56.048 -0.097 0.000 1.354 356 H CB -0.786 28.812 29.762 -0.273 0.000 1.397 356 H HN 0.044 nan 8.280 nan 0.000 0.516 357 F N 1.329 121.345 119.950 0.110 0.000 2.202 357 F HA -0.191 4.336 4.527 -0.000 0.000 0.301 357 F C 2.288 178.095 175.800 0.012 0.000 1.082 357 F CA 0.953 58.996 58.000 0.072 0.000 1.313 357 F CB -0.029 39.012 39.000 0.070 0.000 1.024 357 F HN -0.010 nan 8.300 nan 0.000 0.495 358 K N 0.402 120.908 120.400 0.178 0.000 2.147 358 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 358 K C 2.216 178.840 176.600 0.040 0.000 1.049 358 K CA 1.487 57.822 56.287 0.080 0.000 0.936 358 K CB -0.734 31.788 32.500 0.036 0.000 0.722 358 K HN 0.367 nan 8.250 nan 0.000 0.446 359 S N 0.484 116.222 115.700 0.063 0.000 2.447 359 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 359 S C 1.712 176.288 174.600 -0.040 0.000 1.006 359 S CA 0.680 58.910 58.200 0.051 0.000 0.957 359 S CB -0.337 62.956 63.200 0.156 0.000 0.773 359 S HN 0.224 nan 8.310 nan 0.000 0.507 360 L N 1.106 122.265 121.223 -0.107 0.000 2.653 360 L HA 0.453 4.793 4.340 -0.000 0.000 0.231 360 L C 1.582 178.333 176.870 -0.197 0.000 1.153 360 L CA 0.165 54.840 54.840 -0.275 0.000 0.933 360 L CB -0.599 41.137 42.059 -0.539 0.000 1.175 360 L HN 0.436 nan 8.230 nan 0.000 0.473 361 G N -0.213 108.532 108.800 -0.092 0.000 2.225 361 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.267 361 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.267 361 G C 0.176 175.059 174.900 -0.027 0.000 1.024 361 G CA 0.012 45.081 45.100 -0.052 0.000 0.784 361 G HN 0.345 nan 8.290 nan 0.000 0.507 362 Q N 0.223 120.033 119.800 0.017 0.000 2.293 362 Q HA 0.522 4.862 4.340 -0.000 0.000 0.261 362 Q C -0.209 175.898 176.000 0.178 0.000 0.960 362 Q CA -0.079 55.806 55.803 0.137 0.000 0.882 362 Q CB 1.728 30.619 28.738 0.255 0.000 1.275 362 Q HN 0.223 nan 8.270 nan 0.000 0.445 363 T N 3.641 118.287 114.554 0.154 0.000 2.801 363 T HA 0.498 4.848 4.350 -0.000 0.000 0.306 363 T C 0.594 175.300 174.700 0.010 0.000 1.020 363 T CA -0.502 61.645 62.100 0.079 0.000 0.948 363 T CB -0.189 68.712 68.868 0.056 0.000 0.962 363 T HN 0.465 nan 8.240 nan 0.000 0.465 364 I N 1.483 121.981 120.570 -0.120 0.000 2.440 364 I HA 0.790 4.960 4.170 -0.000 0.000 0.294 364 I C 0.110 176.231 176.117 0.005 0.000 0.995 364 I CA -0.522 60.624 61.300 -0.257 0.000 1.306 364 I CB 1.306 38.917 38.000 -0.648 0.000 1.407 364 I HN 0.520 nan 8.210 nan 0.000 0.501 365 T N 2.461 117.006 114.554 -0.016 0.000 2.916 365 T HA 0.571 4.921 4.350 -0.000 0.000 0.305 365 T C -2.941 171.531 174.700 -0.381 0.000 1.119 365 T CA -1.902 60.109 62.100 -0.148 0.000 1.008 365 T CB 1.713 70.501 68.868 -0.133 0.000 1.129 365 T HN 0.506 nan 8.240 nan 0.000 0.480 366 P HA 0.281 nan 4.420 nan 0.000 0.271 366 P C 0.686 177.780 177.300 -0.343 0.000 1.216 366 P CA -0.289 62.290 63.100 -0.867 0.000 0.771 366 P CB 0.785 31.916 31.700 -0.948 0.000 0.864 367 A N 3.270 125.971 122.820 -0.200 0.000 1.872 367 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 367 A C 1.026 178.539 177.584 -0.118 0.000 1.187 367 A CA 1.137 53.102 52.037 -0.121 0.000 0.614 367 A CB -1.361 17.592 19.000 -0.078 0.000 0.826 367 A HN 0.586 nan 8.150 nan 0.000 0.442 368 D N -0.185 120.129 120.400 -0.143 0.000 2.433 368 D HA 0.045 4.685 4.640 -0.000 0.000 0.274 368 D C 0.631 176.878 176.300 -0.088 0.000 1.344 368 D CA 0.878 54.804 54.000 -0.123 0.000 0.989 368 D CB -0.313 40.375 40.800 -0.188 0.000 1.116 368 D HN 0.391 nan 8.370 nan 0.000 0.533 369 K N 1.691 122.061 120.400 -0.051 0.000 3.595 369 K HA -0.299 4.021 4.320 -0.000 0.000 0.284 369 K C 0.489 177.057 176.600 -0.054 0.000 1.150 369 K CA 1.034 57.300 56.287 -0.035 0.000 1.056 369 K CB -1.610 30.880 32.500 -0.018 0.000 1.354 369 K HN 0.522 nan 8.250 nan 0.000 0.448 370 S N 0.441 116.088 115.700 -0.089 0.000 3.635 370 S HA -0.210 4.260 4.470 -0.000 0.000 0.328 370 S C -0.010 174.533 174.600 -0.095 0.000 1.135 370 S CA 1.108 59.243 58.200 -0.108 0.000 0.942 370 S CB -1.239 61.913 63.200 -0.078 0.000 0.930 370 S HN 0.640 nan 8.310 nan 0.000 0.512 371 D N 2.828 123.174 120.400 -0.089 0.000 2.488 371 D HA 0.071 4.711 4.640 -0.000 0.000 0.238 371 D C 0.702 176.957 176.300 -0.075 0.000 1.138 371 D CA -0.071 53.894 54.000 -0.057 0.000 0.873 371 D CB 0.563 41.347 40.800 -0.026 0.000 1.183 371 D HN 0.460 nan 8.370 nan 0.000 0.458 372 K N 2.924 123.299 120.400 -0.041 0.000 2.046 372 K HA 0.366 4.686 4.320 -0.000 0.000 0.248 372 K C 0.523 177.113 176.600 -0.017 0.000 1.123 372 K CA -0.075 56.193 56.287 -0.032 0.000 1.145 372 K CB -1.112 31.382 32.500 -0.010 0.000 1.028 372 K HN 0.614 nan 8.250 nan 0.000 0.354 373 G N 2.526 111.294 108.800 -0.052 0.000 2.770 373 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 373 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 373 G C -0.972 173.926 174.900 -0.004 0.000 1.180 373 G CA -1.169 43.937 45.100 0.009 0.000 0.767 373 G HN 0.395 nan 8.290 nan 0.000 0.646 374 F N 0.934 120.948 119.950 0.107 0.000 2.506 374 F HA 0.426 4.953 4.527 -0.000 0.000 0.371 374 F C 1.532 177.473 175.800 0.234 0.000 1.078 374 F CA 0.439 58.546 58.000 0.178 0.000 1.195 374 F CB 1.075 40.194 39.000 0.199 0.000 1.099 374 F HN 0.538 nan 8.300 nan 0.000 0.548 375 V N 2.764 122.928 119.914 0.417 0.000 2.966 375 V HA 0.641 4.761 4.120 -0.000 0.000 0.317 375 V C -0.206 176.097 176.094 0.349 0.000 1.070 375 V CA -1.212 61.276 62.300 0.312 0.000 1.008 375 V CB 1.574 33.496 31.823 0.165 0.000 1.070 375 V HN 0.588 nan 8.190 nan 0.000 0.457 376 L N 1.175 122.519 121.223 0.202 0.000 2.400 376 L HA 0.814 5.154 4.340 -0.000 0.000 0.264 376 L C 1.446 178.258 176.870 -0.097 0.000 1.061 376 L CA 0.251 55.155 54.840 0.107 0.000 0.799 376 L CB 1.180 43.335 42.059 0.159 0.000 1.240 376 L HN 1.134 nan 8.230 nan 0.000 0.461 377 G N -1.318 107.393 108.800 -0.149 0.000 2.175 377 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.244 377 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.244 377 G C 0.288 175.062 174.900 -0.210 0.000 0.982 377 G CA -0.444 44.555 45.100 -0.169 0.000 0.641 377 G HN 0.582 nan 8.290 nan 0.000 0.527 378 H N 1.322 120.290 119.070 -0.169 0.000 2.690 378 H HA 0.528 5.084 4.556 -0.000 0.000 0.365 378 H C 1.028 176.256 175.328 -0.166 0.000 1.142 378 H CA 1.081 57.038 56.048 -0.151 0.000 1.417 378 H CB 1.447 31.109 29.762 -0.167 0.000 1.446 378 H HN 0.595 nan 8.280 nan 0.000 0.599 379 S N 1.165 116.901 115.700 0.060 0.000 2.759 379 S HA 0.209 4.679 4.470 -0.000 0.000 0.310 379 S C 1.167 175.750 174.600 -0.029 0.000 1.123 379 S CA -0.800 57.401 58.200 0.002 0.000 0.959 379 S CB 1.229 64.451 63.200 0.037 0.000 1.172 379 S HN 0.467 nan 8.310 nan 0.000 0.539 380 I N 1.491 122.020 120.570 -0.069 0.000 2.394 380 I HA -0.090 4.080 4.170 -0.000 0.000 0.251 380 I C 2.432 178.550 176.117 0.002 0.000 1.136 380 I CA 2.169 63.346 61.300 -0.204 0.000 1.425 380 I CB -0.589 37.181 38.000 -0.382 0.000 1.079 380 I HN 0.975 nan 8.210 nan 0.000 0.425 381 T N -3.133 111.517 114.554 0.161 0.000 3.113 381 T HA -0.051 4.298 4.350 -0.000 0.000 0.263 381 T C 1.307 176.185 174.700 0.296 0.000 1.143 381 T CA 1.016 63.306 62.100 0.317 0.000 1.090 381 T CB -0.501 68.535 68.868 0.280 0.000 0.922 381 T HN 0.337 nan 8.240 nan 0.000 0.521 382 D N 1.450 121.962 120.400 0.187 0.000 2.346 382 D HA 0.138 4.778 4.640 -0.000 0.000 0.206 382 D C 1.214 177.580 176.300 0.110 0.000 1.001 382 D CA 0.318 54.409 54.000 0.151 0.000 0.871 382 D CB 0.457 41.321 40.800 0.107 0.000 0.943 382 D HN 0.567 nan 8.370 nan 0.000 0.518 383 V N -1.467 118.507 119.914 0.100 0.000 3.211 383 V HA 0.685 4.805 4.120 -0.000 0.000 0.319 383 V C 0.132 176.299 176.094 0.123 0.000 1.096 383 V CA -0.475 61.849 62.300 0.039 0.000 1.029 383 V CB 1.773 33.544 31.823 -0.088 0.000 1.137 383 V HN -0.211 nan 8.190 nan 0.000 0.453 384 T N 2.436 117.017 114.554 0.044 0.000 2.841 384 T HA 0.681 5.031 4.350 -0.000 0.000 0.283 384 T C -1.450 173.400 174.700 0.249 0.000 1.000 384 T CA 0.052 62.164 62.100 0.020 0.000 0.977 384 T CB 1.088 69.854 68.868 -0.169 0.000 0.979 384 T HN 0.678 nan 8.240 nan 0.000 0.446 385 F N 3.874 123.911 119.950 0.145 0.000 2.556 385 F HA 0.510 5.037 4.527 -0.000 0.000 0.314 385 F C 0.027 175.933 175.800 0.178 0.000 1.106 385 F CA -1.769 56.340 58.000 0.181 0.000 0.911 385 F CB 0.881 40.050 39.000 0.281 0.000 1.190 385 F HN 0.547 nan 8.300 nan 0.000 0.448 386 L N 6.290 127.293 121.223 -0.367 0.000 3.742 386 L HA -0.362 3.978 4.340 -0.000 0.000 0.431 386 L C 0.760 177.487 176.870 -0.238 0.000 1.220 386 L CA 0.700 55.303 54.840 -0.395 0.000 0.863 386 L CB -1.469 40.297 42.059 -0.487 0.000 1.751 386 L HN 0.817 nan 8.230 nan 0.000 0.922 387 K N -2.075 118.228 120.400 -0.161 0.000 3.130 387 K HA -0.202 4.118 4.320 -0.000 0.000 0.282 387 K C 0.350 176.854 176.600 -0.159 0.000 1.145 387 K CA 1.500 57.700 56.287 -0.145 0.000 0.831 387 K CB -0.781 31.637 32.500 -0.138 0.000 1.226 387 K HN 0.602 nan 8.250 nan 0.000 0.478 388 R N -0.112 120.305 120.500 -0.139 0.000 2.670 388 R HA 0.404 4.744 4.340 -0.000 0.000 0.289 388 R C -0.374 175.898 176.300 -0.048 0.000 0.965 388 R CA -0.840 55.172 56.100 -0.147 0.000 0.899 388 R CB 1.170 31.238 30.300 -0.386 0.000 1.173 388 R HN 0.126 nan 8.270 nan 0.000 0.456 389 H N 0.675 119.739 119.070 -0.010 0.000 2.508 389 H HA 0.270 4.826 4.556 -0.000 0.000 0.358 389 H C -0.653 174.799 175.328 0.206 0.000 1.212 389 H CA 0.076 56.179 56.048 0.090 0.000 1.356 389 H CB 0.691 30.358 29.762 -0.158 0.000 1.525 389 H HN 0.367 nan 8.280 nan 0.000 0.578 390 F N 1.283 121.536 119.950 0.506 0.000 2.313 390 F HA 0.259 4.786 4.527 -0.000 0.000 0.369 390 F C 0.316 176.538 175.800 0.703 0.000 1.109 390 F CA -0.201 58.124 58.000 0.542 0.000 1.132 390 F CB 0.286 39.401 39.000 0.193 0.000 1.291 390 F HN 0.404 nan 8.300 nan 0.000 0.496 391 H N 2.521 121.939 119.070 0.580 0.000 2.524 391 H HA 0.373 4.929 4.556 -0.000 0.000 0.353 391 H C -0.545 174.994 175.328 0.352 0.000 1.136 391 H CA -1.456 54.833 56.048 0.401 0.000 1.193 391 H CB 2.272 32.190 29.762 0.260 0.000 1.558 391 H HN 0.454 nan 8.280 nan 0.000 0.515 392 M N 2.618 122.384 119.600 0.277 0.000 2.188 392 M HA 0.003 4.483 4.480 -0.000 0.000 0.354 392 M C -0.476 175.944 176.300 0.200 0.000 1.342 392 M CA -0.129 55.209 55.300 0.064 0.000 1.117 392 M CB 0.170 32.716 32.600 -0.091 0.000 1.670 392 M HN 0.495 nan 8.290 nan 0.000 0.466 393 D N 3.139 123.700 120.400 0.267 0.000 2.338 393 D HA -0.028 4.612 4.640 -0.000 0.000 0.255 393 D C 0.239 176.705 176.300 0.277 0.000 1.237 393 D CA 0.399 54.616 54.000 0.362 0.000 0.883 393 D CB 0.215 41.375 40.800 0.600 0.000 1.087 393 D HN 0.657 nan 8.370 nan 0.000 0.485 394 Y N 2.506 122.893 120.300 0.145 0.000 2.639 394 Y HA -0.070 4.480 4.550 -0.000 0.000 0.289 394 Y C 2.048 177.992 175.900 0.074 0.000 1.155 394 Y CA 1.554 59.700 58.100 0.077 0.000 1.379 394 Y CB 0.497 38.985 38.460 0.047 0.000 0.967 394 Y HN 0.621 nan 8.280 nan 0.000 0.569 395 G N -3.140 105.804 108.800 0.241 0.000 3.215 395 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.236 395 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.236 395 G C 1.033 176.006 174.900 0.123 0.000 1.029 395 G CA 0.568 45.782 45.100 0.191 0.000 0.909 395 G HN 0.337 nan 8.290 nan 0.000 0.543 396 T N -3.954 110.648 114.554 0.080 0.000 3.004 396 T HA 0.401 4.751 4.350 -0.000 0.000 0.266 396 T C 1.948 176.313 174.700 -0.558 0.000 0.986 396 T CA 0.953 62.906 62.100 -0.244 0.000 0.902 396 T CB 0.690 69.419 68.868 -0.230 0.000 1.118 396 T HN 1.238 nan 8.240 nan 0.000 0.522 397 G N 1.544 110.194 108.800 -0.249 0.000 2.284 397 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.261 397 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.261 397 G C -0.080 174.744 174.900 -0.127 0.000 0.997 397 G CA 0.147 45.102 45.100 -0.242 0.000 0.621 397 G HN 0.529 nan 8.290 nan 0.000 0.534 398 F N 0.850 120.872 119.950 0.120 0.000 2.506 398 F HA 0.570 5.097 4.527 -0.000 0.000 0.351 398 F C 1.165 177.138 175.800 0.289 0.000 1.136 398 F CA -1.276 56.845 58.000 0.202 0.000 1.298 398 F CB -0.064 39.073 39.000 0.227 0.000 1.145 398 F HN 0.098 nan 8.300 nan 0.000 0.593 399 Y N 1.544 122.190 120.300 0.577 0.000 2.497 399 Y HA 0.263 4.812 4.550 -0.000 0.000 0.334 399 Y C 0.498 176.745 175.900 0.579 0.000 1.199 399 Y CA -0.181 58.239 58.100 0.534 0.000 1.425 399 Y CB 0.545 39.317 38.460 0.520 0.000 1.291 399 Y HN 0.427 nan 8.280 nan 0.000 0.562 400 K N 3.285 124.022 120.400 0.561 0.000 2.375 400 K HA 0.532 4.852 4.320 -0.000 0.000 0.249 400 K C -3.288 173.262 176.600 -0.084 0.000 0.942 400 K CA -2.356 53.972 56.287 0.068 0.000 0.806 400 K CB 2.390 34.678 32.500 -0.353 0.000 1.227 400 K HN 0.168 nan 8.250 nan 0.000 0.430 401 P HA 0.065 nan 4.420 nan 0.000 0.277 401 P C -0.539 176.476 177.300 -0.476 0.000 1.354 401 P CA -0.375 62.171 63.100 -0.923 0.000 0.891 401 P CB 0.709 31.529 31.700 -1.468 0.000 1.058 402 V N 5.638 125.409 119.914 -0.238 0.000 2.407 402 V HA 0.332 4.452 4.120 -0.000 0.000 0.278 402 V C 0.867 176.927 176.094 -0.057 0.000 1.037 402 V CA -0.429 61.788 62.300 -0.140 0.000 0.900 402 V CB 1.186 32.866 31.823 -0.238 0.000 0.983 402 V HN 0.481 nan 8.190 nan 0.000 0.459 403 M N 3.351 122.925 119.600 -0.042 0.000 2.367 403 M HA 0.595 5.075 4.480 -0.000 0.000 0.339 403 M C 0.508 176.814 176.300 0.009 0.000 1.177 403 M CA -0.414 54.875 55.300 -0.019 0.000 1.068 403 M CB 1.642 34.197 32.600 -0.076 0.000 1.602 403 M HN 0.755 nan 8.290 nan 0.000 0.457 404 A N 1.805 124.654 122.820 0.047 0.000 2.511 404 A HA 0.137 4.457 4.320 -0.000 0.000 0.242 404 A C 1.032 178.585 177.584 -0.052 0.000 1.069 404 A CA -0.067 51.988 52.037 0.029 0.000 0.763 404 A CB 0.183 19.228 19.000 0.075 0.000 1.001 404 A HN 0.970 nan 8.150 nan 0.000 0.498 405 S N 1.334 116.992 115.700 -0.069 0.000 2.370 405 S HA -0.131 4.338 4.470 -0.000 0.000 0.226 405 S C 2.096 176.584 174.600 -0.187 0.000 1.033 405 S CA 1.458 59.577 58.200 -0.135 0.000 1.011 405 S CB -0.183 62.943 63.200 -0.124 0.000 0.852 405 S HN 0.712 nan 8.310 nan 0.000 0.457 406 K N 0.809 121.139 120.400 -0.116 0.000 2.103 406 K HA -0.038 4.282 4.320 -0.000 0.000 0.207 406 K C 2.252 178.759 176.600 -0.154 0.000 1.048 406 K CA 1.255 57.487 56.287 -0.092 0.000 0.930 406 K CB -1.026 31.495 32.500 0.035 0.000 0.716 406 K HN 0.335 nan 8.250 nan 0.000 0.444 407 T N 2.130 116.590 114.554 -0.156 0.000 2.708 407 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 407 T C 2.019 176.547 174.700 -0.287 0.000 1.037 407 T CA 0.944 62.888 62.100 -0.260 0.000 1.146 407 T CB -0.137 68.637 68.868 -0.156 0.000 0.865 407 T HN 0.112 nan 8.240 nan 0.000 0.435 408 L N 0.634 121.714 121.223 -0.239 0.000 2.083 408 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 408 L C 2.713 179.397 176.870 -0.311 0.000 1.083 408 L CA 1.425 56.111 54.840 -0.256 0.000 0.752 408 L CB -0.538 41.375 42.059 -0.243 0.000 0.899 408 L HN 0.357 nan 8.230 nan 0.000 0.433 409 E N 0.094 120.049 120.200 -0.410 0.000 2.031 409 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 409 E C 2.328 178.829 176.600 -0.165 0.000 0.994 409 E CA 1.132 57.227 56.400 -0.509 0.000 0.800 409 E CB -0.232 29.021 29.700 -0.745 0.000 0.752 409 E HN 0.499 nan 8.360 nan 0.000 0.447 410 A N 1.604 124.296 122.820 -0.213 0.000 1.869 410 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 410 A C 2.246 179.818 177.584 -0.020 0.000 1.203 410 A CA 1.796 53.725 52.037 -0.181 0.000 0.638 410 A CB -0.966 17.518 19.000 -0.860 0.000 0.831 410 A HN 0.185 nan 8.150 nan 0.000 0.450 411 I N -0.504 119.990 120.570 -0.128 0.000 2.208 411 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 411 I C 2.196 178.318 176.117 0.009 0.000 1.097 411 I CA 1.342 62.608 61.300 -0.055 0.000 1.363 411 I CB -0.282 37.645 38.000 -0.121 0.000 1.051 411 I HN 0.290 nan 8.210 nan 0.000 0.413 412 L N -0.401 120.813 121.223 -0.015 0.000 2.465 412 L HA -0.069 4.271 4.340 -0.000 0.000 0.224 412 L C 2.138 179.113 176.870 0.175 0.000 1.145 412 L CA 0.526 55.397 54.840 0.052 0.000 0.834 412 L CB -0.304 41.793 42.059 0.063 0.000 0.944 412 L HN 0.140 nan 8.230 nan 0.000 0.451 413 S N -0.867 114.881 115.700 0.081 0.000 2.528 413 S HA 0.186 4.656 4.470 -0.000 0.000 0.219 413 S C 0.026 174.309 174.600 -0.527 0.000 0.985 413 S CA 0.279 58.377 58.200 -0.170 0.000 0.914 413 S CB 0.073 63.121 63.200 -0.254 0.000 0.776 413 S HN 0.122 nan 8.310 nan 0.000 0.526 414 F N 0.444 120.455 119.950 0.102 0.000 2.578 414 F HA 0.741 5.268 4.527 -0.000 0.000 0.311 414 F C -0.127 175.690 175.800 0.027 0.000 1.094 414 F CA -0.992 57.041 58.000 0.056 0.000 0.923 414 F CB 1.726 40.752 39.000 0.044 0.000 1.230 414 F HN -0.091 nan 8.300 nan 0.000 0.450 415 A N 2.276 125.212 122.820 0.193 0.000 2.594 415 A HA 0.809 5.129 4.320 -0.000 0.000 0.295 415 A C -1.179 176.456 177.584 0.085 0.000 1.071 415 A CA -1.044 51.052 52.037 0.099 0.000 0.685 415 A CB 1.516 20.538 19.000 0.038 0.000 1.285 415 A HN 0.801 nan 8.150 nan 0.000 0.405 416 R N 1.281 121.815 120.500 0.057 0.000 2.438 416 R HA 0.307 4.647 4.340 -0.000 0.000 0.287 416 R C 0.154 176.483 176.300 0.048 0.000 1.077 416 R CA -0.577 55.553 56.100 0.050 0.000 1.034 416 R CB 0.509 30.831 30.300 0.038 0.000 0.993 416 R HN 0.634 nan 8.270 nan 0.000 0.459 417 R N 1.471 122.001 120.500 0.052 0.000 2.474 417 R HA -0.146 4.194 4.340 -0.000 0.000 0.290 417 R C 0.840 177.173 176.300 0.055 0.000 0.918 417 R CA 1.589 57.722 56.100 0.055 0.000 1.130 417 R CB -0.058 30.271 30.300 0.048 0.000 0.881 417 R HN 1.063 nan 8.270 nan 0.000 0.416 418 G N 2.112 110.956 108.800 0.073 0.000 2.166 418 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.260 418 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.260 418 G C 0.634 175.573 174.900 0.064 0.000 0.986 418 G CA 1.019 46.166 45.100 0.078 0.000 0.683 418 G HN 0.712 nan 8.290 nan 0.000 0.527 419 T N -2.564 112.016 114.554 0.043 0.000 3.044 419 T HA 0.486 4.836 4.350 -0.000 0.000 0.260 419 T C 2.177 176.855 174.700 -0.036 0.000 1.019 419 T CA 0.621 62.728 62.100 0.012 0.000 0.921 419 T CB 0.045 68.916 68.868 0.006 0.000 1.053 419 T HN 0.290 nan 8.240 nan 0.000 0.533 420 I N 1.149 121.681 120.570 -0.063 0.000 2.142 420 I HA -0.144 4.026 4.170 -0.000 0.000 0.240 420 I C 2.832 178.703 176.117 -0.410 0.000 1.078 420 I CA 1.469 62.604 61.300 -0.275 0.000 1.343 420 I CB -0.417 37.334 38.000 -0.415 0.000 1.046 420 I HN 0.275 nan 8.210 nan 0.000 0.405 421 Q N 1.522 121.178 119.800 -0.240 0.000 1.985 421 Q HA -0.285 4.055 4.340 -0.000 0.000 0.207 421 Q C 1.975 177.930 176.000 -0.075 0.000 0.996 421 Q CA 2.133 57.899 55.803 -0.061 0.000 0.851 421 Q CB -0.373 28.527 28.738 0.271 0.000 0.921 421 Q HN 0.394 nan 8.270 nan 0.000 0.418 422 E N -0.107 120.075 120.200 -0.030 0.000 2.086 422 E HA -0.301 4.049 4.350 -0.000 0.000 0.205 422 E C 1.879 178.440 176.600 -0.065 0.000 1.027 422 E CA 1.985 58.366 56.400 -0.033 0.000 0.830 422 E CB -0.221 29.470 29.700 -0.016 0.000 0.751 422 E HN 0.361 nan 8.360 nan 0.000 0.456 423 K N 0.205 120.548 120.400 -0.095 0.000 2.097 423 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 423 K C 2.102 178.629 176.600 -0.122 0.000 1.050 423 K CA 1.009 57.235 56.287 -0.102 0.000 0.938 423 K CB -0.063 32.372 32.500 -0.108 0.000 0.718 423 K HN 0.135 nan 8.250 nan 0.000 0.442 424 L N 0.993 122.101 121.223 -0.192 0.000 2.083 424 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 424 L C 2.292 179.112 176.870 -0.083 0.000 1.083 424 L CA 0.542 55.282 54.840 -0.166 0.000 0.752 424 L CB -0.352 41.513 42.059 -0.323 0.000 0.899 424 L HN 0.228 nan 8.230 nan 0.000 0.433 425 I N -0.883 119.630 120.570 -0.096 0.000 2.252 425 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 425 I C 2.654 178.745 176.117 -0.043 0.000 1.102 425 I CA 1.238 62.492 61.300 -0.078 0.000 1.385 425 I CB -1.201 36.766 38.000 -0.054 0.000 1.064 425 I HN 0.155 nan 8.210 nan 0.000 0.414 426 S N 0.864 116.542 115.700 -0.036 0.000 2.348 426 S HA -0.110 4.360 4.470 -0.000 0.000 0.221 426 S C 2.219 176.817 174.600 -0.003 0.000 1.033 426 S CA 1.275 59.459 58.200 -0.025 0.000 1.010 426 S CB -0.265 62.914 63.200 -0.035 0.000 0.891 426 S HN 0.243 nan 8.310 nan 0.000 0.442 427 V N 2.165 122.087 119.914 0.014 0.000 2.568 427 V HA -0.205 3.915 4.120 -0.000 0.000 0.253 427 V C 2.494 178.692 176.094 0.173 0.000 1.072 427 V CA 1.495 63.823 62.300 0.046 0.000 1.084 427 V CB -1.294 30.527 31.823 -0.002 0.000 0.676 427 V HN 0.524 nan 8.190 nan 0.000 0.469 428 A N 0.924 123.875 122.820 0.219 0.000 1.883 428 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 428 A C 2.448 180.133 177.584 0.169 0.000 1.186 428 A CA 1.937 54.121 52.037 0.245 0.000 0.624 428 A CB -1.241 17.740 19.000 -0.031 0.000 0.822 428 A HN 0.536 nan 8.150 nan 0.000 0.444 429 G N -0.585 108.235 108.800 0.033 0.000 2.479 429 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.220 429 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.220 429 G C 1.430 176.279 174.900 -0.085 0.000 1.115 429 G CA 1.032 46.101 45.100 -0.052 0.000 0.757 429 G HN 0.459 nan 8.290 nan 0.000 0.560 430 L N -0.231 120.984 121.223 -0.014 0.000 2.249 430 L HA 0.196 4.536 4.340 -0.000 0.000 0.207 430 L C 3.140 180.021 176.870 0.019 0.000 1.090 430 L CA 0.780 55.611 54.840 -0.015 0.000 0.802 430 L CB -0.167 41.871 42.059 -0.035 0.000 0.947 430 L HN 0.272 nan 8.230 nan 0.000 0.453 431 A N -0.435 122.451 122.820 0.110 0.000 1.984 431 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 431 A C 2.297 180.069 177.584 0.314 0.000 1.173 431 A CA 0.860 53.021 52.037 0.206 0.000 0.673 431 A CB -0.595 18.570 19.000 0.275 0.000 0.830 431 A HN 0.119 nan 8.150 nan 0.000 0.453 432 V N 0.552 120.593 119.914 0.211 0.000 2.311 432 V HA -0.402 3.718 4.120 -0.000 0.000 0.256 432 V C 2.120 178.206 176.094 -0.014 0.000 1.077 432 V CA 2.964 65.221 62.300 -0.071 0.000 1.067 432 V CB -0.931 30.598 31.823 -0.490 0.000 0.659 432 V HN 0.811 nan 8.190 nan 0.000 0.451 433 H N -0.945 118.113 119.070 -0.020 0.000 2.561 433 H HA 0.014 4.570 4.556 -0.000 0.000 0.278 433 H C 2.302 177.646 175.328 0.028 0.000 1.014 433 H CA 0.862 56.854 56.048 -0.094 0.000 1.211 433 H CB 0.032 29.645 29.762 -0.248 0.000 1.365 433 H HN 0.426 nan 8.280 nan 0.000 0.594 434 S N -0.111 115.698 115.700 0.182 0.000 2.562 434 S HA 0.176 4.646 4.470 -0.000 0.000 0.221 434 S C 0.860 175.536 174.600 0.126 0.000 0.975 434 S CA 0.482 58.764 58.200 0.137 0.000 0.918 434 S CB 0.115 63.378 63.200 0.105 0.000 0.772 434 S HN 0.798 nan 8.310 nan 0.000 0.531 435 G N 1.304 110.203 108.800 0.165 0.000 2.690 435 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.686 435 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.686 435 G C -2.548 172.239 174.900 -0.190 0.000 1.277 435 G CA -0.755 44.345 45.100 -0.001 0.000 0.799 435 G HN 0.052 nan 8.290 nan 0.000 0.613 436 P HA -0.035 nan 4.420 nan 0.000 0.215 436 P C 1.354 178.525 177.300 -0.215 0.000 1.153 436 P CA 1.721 64.347 63.100 -0.789 0.000 0.853 436 P CB 0.103 31.329 31.700 -0.791 0.000 0.788 437 D N -0.617 119.693 120.400 -0.150 0.000 2.097 437 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 437 D C 1.954 178.262 176.300 0.014 0.000 0.989 437 D CA 1.215 55.183 54.000 -0.053 0.000 0.827 437 D CB -0.560 40.203 40.800 -0.062 0.000 0.966 437 D HN 0.163 nan 8.370 nan 0.000 0.456 438 E N -0.266 119.947 120.200 0.021 0.000 2.208 438 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 438 E C 1.889 178.557 176.600 0.113 0.000 0.988 438 E CA 0.428 56.854 56.400 0.044 0.000 0.828 438 E CB -0.334 29.380 29.700 0.023 0.000 0.763 438 E HN 0.356 nan 8.360 nan 0.000 0.478 439 Y N 0.577 120.920 120.300 0.072 0.000 2.181 439 Y HA -0.139 4.411 4.550 -0.000 0.000 0.288 439 Y C 2.379 178.445 175.900 0.275 0.000 1.146 439 Y CA 2.019 60.250 58.100 0.218 0.000 1.164 439 Y CB 0.011 38.650 38.460 0.298 0.000 0.982 439 Y HN -0.061 nan 8.280 nan 0.000 0.515 440 R N 0.180 120.853 120.500 0.289 0.000 2.066 440 R HA -0.181 4.159 4.340 -0.000 0.000 0.232 440 R C 2.589 178.979 176.300 0.151 0.000 1.131 440 R CA 1.619 57.847 56.100 0.212 0.000 0.955 440 R CB -0.318 30.070 30.300 0.146 0.000 0.851 440 R HN 0.301 nan 8.270 nan 0.000 0.432 441 R N 0.477 121.042 120.500 0.108 0.000 2.096 441 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 441 R C 2.261 178.649 176.300 0.146 0.000 1.127 441 R CA 1.251 57.413 56.100 0.104 0.000 0.968 441 R CB -0.208 30.133 30.300 0.068 0.000 0.861 441 R HN 0.262 nan 8.270 nan 0.000 0.440 442 L N -0.583 120.668 121.223 0.046 0.000 2.093 442 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 442 L C 1.579 178.439 176.870 -0.017 0.000 1.085 442 L CA 1.207 56.014 54.840 -0.054 0.000 0.755 442 L CB -0.134 41.694 42.059 -0.386 0.000 0.904 442 L HN 0.183 nan 8.230 nan 0.000 0.435 443 F N -1.098 118.911 119.950 0.099 0.000 2.749 443 F HA 0.014 4.541 4.527 -0.000 0.000 0.300 443 F C 2.188 178.132 175.800 0.241 0.000 1.103 443 F CA -0.090 58.017 58.000 0.178 0.000 1.342 443 F CB 0.121 39.057 39.000 -0.107 0.000 1.098 443 F HN -0.048 nan 8.300 nan 0.000 0.586 444 E N 1.758 122.116 120.200 0.264 0.000 2.114 444 E HA -0.198 4.152 4.350 -0.000 0.000 0.199 444 E C -0.713 175.905 176.600 0.031 0.000 1.008 444 E CA 1.737 58.218 56.400 0.136 0.000 0.810 444 E CB -1.284 28.464 29.700 0.080 0.000 0.739 444 E HN 0.179 nan 8.360 nan 0.000 0.456 445 P HA -0.075 nan 4.420 nan 0.000 0.222 445 P C 0.444 177.511 177.300 -0.388 0.000 1.147 445 P CA 1.000 63.866 63.100 -0.390 0.000 0.790 445 P CB -0.060 31.173 31.700 -0.778 0.000 0.780 446 F N -1.783 118.206 119.950 0.066 0.000 2.727 446 F HA 0.129 4.656 4.527 -0.000 0.000 0.302 446 F C 1.321 177.222 175.800 0.168 0.000 1.097 446 F CA -0.074 58.024 58.000 0.162 0.000 1.330 446 F CB -0.474 38.651 39.000 0.208 0.000 1.084 446 F HN -0.222 nan 8.300 nan 0.000 0.578 447 Q N 0.836 120.779 119.800 0.237 0.000 2.286 447 Q HA 0.164 4.504 4.340 -0.000 0.000 0.290 447 Q C 1.415 177.479 176.000 0.107 0.000 1.049 447 Q CA 1.237 57.136 55.803 0.161 0.000 0.923 447 Q CB 0.584 29.387 28.738 0.109 0.000 1.183 447 Q HN 0.619 nan 8.270 nan 0.000 0.383 448 G N 2.342 111.194 108.800 0.088 0.000 2.205 448 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.261 448 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.261 448 G C 0.580 175.484 174.900 0.006 0.000 0.980 448 G CA 0.570 45.692 45.100 0.037 0.000 0.632 448 G HN 0.551 nan 8.290 nan 0.000 0.533 449 L N -2.176 119.069 121.223 0.036 0.000 2.624 449 L HA 0.566 4.906 4.340 -0.000 0.000 0.222 449 L C 0.653 177.321 176.870 -0.336 0.000 1.046 449 L CA 0.119 54.890 54.840 -0.115 0.000 0.872 449 L CB 0.334 42.390 42.059 -0.004 0.000 1.190 449 L HN 0.121 nan 8.230 nan 0.000 0.487 450 F N -0.559 119.453 119.950 0.102 0.000 2.620 450 F HA 0.314 4.841 4.527 -0.000 0.000 0.320 450 F C 0.262 176.090 175.800 0.046 0.000 1.069 450 F CA -1.019 57.028 58.000 0.079 0.000 0.953 450 F CB 1.469 40.533 39.000 0.106 0.000 1.322 450 F HN -0.253 nan 8.300 nan 0.000 0.479 451 E N 2.489 122.822 120.200 0.221 0.000 2.217 451 E HA 0.216 4.566 4.350 -0.000 0.000 0.279 451 E C -1.099 175.532 176.600 0.051 0.000 1.068 451 E CA -0.274 56.188 56.400 0.102 0.000 0.882 451 E CB 0.349 30.090 29.700 0.068 0.000 1.039 451 E HN 0.275 nan 8.360 nan 0.000 0.418 452 I N 7.106 127.684 120.570 0.014 0.000 2.312 452 I HA 0.267 4.436 4.170 -0.000 0.000 0.290 452 I C -1.984 174.080 176.117 -0.088 0.000 1.008 452 I CA -2.919 58.309 61.300 -0.119 0.000 1.226 452 I CB 0.370 38.305 38.000 -0.108 0.000 1.371 452 I HN 0.451 nan 8.210 nan 0.000 0.468 453 P HA 0.095 nan 4.420 nan 0.000 0.268 453 P C 0.040 177.359 177.300 0.031 0.000 1.205 453 P CA -0.110 62.962 63.100 -0.048 0.000 0.771 453 P CB 0.362 32.021 31.700 -0.069 0.000 0.858 454 S N 2.071 117.780 115.700 0.015 0.000 2.579 454 S HA -0.004 4.466 4.470 -0.000 0.000 0.275 454 S C 0.973 175.512 174.600 -0.102 0.000 1.345 454 S CA -0.344 57.878 58.200 0.037 0.000 1.031 454 S CB 0.151 63.366 63.200 0.025 0.000 0.892 454 S HN 0.496 nan 8.310 nan 0.000 0.529 455 Y N 2.695 122.834 120.300 -0.269 0.000 2.128 455 Y HA -0.193 4.357 4.550 -0.000 0.000 0.284 455 Y C 2.675 178.427 175.900 -0.247 0.000 1.154 455 Y CA 2.309 60.075 58.100 -0.557 0.000 1.149 455 Y CB -0.439 37.773 38.460 -0.413 0.000 0.976 455 Y HN 0.800 nan 8.280 nan 0.000 0.505 456 R N 1.057 121.538 120.500 -0.031 0.000 2.094 456 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 456 R C 2.605 178.869 176.300 -0.060 0.000 1.137 456 R CA 2.333 58.435 56.100 0.003 0.000 0.943 456 R CB -1.351 28.991 30.300 0.070 0.000 0.850 456 R HN 0.518 nan 8.270 nan 0.000 0.433 457 S N -0.199 115.457 115.700 -0.072 0.000 2.387 457 S HA -0.156 4.313 4.470 -0.000 0.000 0.230 457 S C 2.016 176.555 174.600 -0.101 0.000 1.035 457 S CA 1.644 59.806 58.200 -0.064 0.000 1.014 457 S CB -0.468 62.701 63.200 -0.052 0.000 0.836 457 S HN 0.425 nan 8.310 nan 0.000 0.466 458 L N -1.276 119.826 121.223 -0.202 0.000 2.249 458 L HA 0.156 4.496 4.340 -0.000 0.000 0.207 458 L C 2.534 179.280 176.870 -0.207 0.000 1.090 458 L CA 0.931 55.638 54.840 -0.222 0.000 0.802 458 L CB -0.577 41.303 42.059 -0.299 0.000 0.947 458 L HN 0.281 nan 8.230 nan 0.000 0.453 459 Y N 1.194 121.222 120.300 -0.454 0.000 2.097 459 Y HA -0.266 4.284 4.550 -0.000 0.000 0.282 459 Y C 2.405 178.321 175.900 0.028 0.000 1.152 459 Y CA 1.587 59.545 58.100 -0.236 0.000 1.136 459 Y CB -0.240 38.017 38.460 -0.337 0.000 0.975 459 Y HN -0.031 nan 8.280 nan 0.000 0.498 460 L N -0.126 121.113 121.223 0.026 0.000 2.043 460 L HA -0.304 4.036 4.340 -0.000 0.000 0.212 460 L C 2.771 179.604 176.870 -0.062 0.000 1.075 460 L CA 1.881 56.711 54.840 -0.018 0.000 0.752 460 L CB -0.547 41.525 42.059 0.022 0.000 0.891 460 L HN 0.225 nan 8.230 nan 0.000 0.432 461 R N -0.712 119.762 120.500 -0.043 0.000 2.081 461 R HA -0.244 4.096 4.340 -0.000 0.000 0.235 461 R C 2.249 178.543 176.300 -0.011 0.000 1.131 461 R CA 1.977 58.059 56.100 -0.030 0.000 0.960 461 R CB -0.410 29.876 30.300 -0.023 0.000 0.856 461 R HN 0.417 nan 8.270 nan 0.000 0.436 462 W N 0.667 121.859 121.300 -0.179 0.000 2.355 462 W HA -0.177 4.483 4.660 -0.000 0.000 0.309 462 W C 1.703 178.139 176.519 -0.138 0.000 1.206 462 W CA 1.310 58.572 57.345 -0.139 0.000 1.284 462 W CB -0.580 28.802 29.460 -0.130 0.000 1.145 462 W HN -0.155 nan 8.180 nan 0.000 0.502 463 V N 1.634 121.277 119.914 -0.451 0.000 2.332 463 V HA -0.382 3.738 4.120 -0.000 0.000 0.248 463 V C 2.255 178.115 176.094 -0.390 0.000 1.055 463 V CA 2.400 64.343 62.300 -0.595 0.000 1.038 463 V CB -1.458 30.128 31.823 -0.395 0.000 0.651 463 V HN 0.357 nan 8.190 nan 0.000 0.450 464 N N 0.651 119.205 118.700 -0.243 0.000 2.084 464 N HA -0.159 4.581 4.740 -0.000 0.000 0.190 464 N C 1.763 177.155 175.510 -0.196 0.000 1.030 464 N CA 1.851 54.800 53.050 -0.169 0.000 0.849 464 N CB -0.402 38.023 38.487 -0.103 0.000 1.012 464 N HN 0.418 nan 8.380 nan 0.000 0.423 465 A N -0.092 122.601 122.820 -0.212 0.000 1.902 465 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 465 A C 2.430 179.856 177.584 -0.263 0.000 1.181 465 A CA 1.790 53.718 52.037 -0.180 0.000 0.623 465 A CB -1.078 17.864 19.000 -0.096 0.000 0.818 465 A HN 0.255 nan 8.150 nan 0.000 0.443 466 V N -0.838 118.793 119.914 -0.471 0.000 2.719 466 V HA -0.011 4.109 4.120 -0.000 0.000 0.252 466 V C 0.714 176.500 176.094 -0.513 0.000 1.065 466 V CA 1.479 63.450 62.300 -0.548 0.000 1.086 466 V CB -0.269 31.034 31.823 -0.867 0.000 0.700 466 V HN 1.076 nan 8.190 nan 0.000 0.467 467 C N -1.735 117.341 119.300 -0.373 0.000 2.968 467 C HA 0.631 5.091 4.460 -0.000 0.000 0.389 467 C C 1.475 176.391 174.990 -0.124 0.000 1.068 467 C CA -0.668 58.216 59.018 -0.223 0.000 1.272 467 C CB 0.255 27.920 27.740 -0.125 0.000 1.711 467 C HN 0.382 nan 8.230 nan 0.000 0.501 468 G N 2.016 110.756 108.800 -0.100 0.000 2.501 468 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.220 468 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.220 468 G C 0.848 175.725 174.900 -0.038 0.000 1.114 468 G CA 1.666 46.727 45.100 -0.067 0.000 0.757 468 G HN 0.872 nan 8.290 nan 0.000 0.559 469 D N 1.367 121.755 120.400 -0.021 0.000 2.178 469 D HA 0.163 4.803 4.640 -0.000 0.000 0.217 469 D C 2.047 178.352 176.300 0.008 0.000 0.992 469 D CA 0.847 54.847 54.000 0.001 0.000 0.895 469 D CB -0.922 39.888 40.800 0.018 0.000 1.031 469 D HN 0.278 nan 8.370 nan 0.000 0.453 470 A N 0.000 122.839 122.820 0.031 0.000 2.254 470 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 470 A CA 0.000 52.052 52.037 0.025 0.000 0.836 470 A CB 0.000 19.023 19.000 0.039 0.000 0.831 470 A HN 0.000 nan 8.150 nan 0.000 0.486