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 2gp4_1_A DATA FIRST_RESID 0 DATA SEQUENCE HXHSVVQSVT DRIIARSKAS REAYLAALND ARNHXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX LLKXXXQEVG DATA SEQUENCE SVAQVAXGVP XXCDGVTQGQ PGXELSLLSR EVIAXATAVG LSHNXFDGAL DATA SEQUENCE LLGICDKIVP GLLIGALSFG HLPXLFVPAG PXXXXXXXXX XXXXXXXXXX DATA SEQUENCE GKVDRAQLLE AEAQSYHSAG TCTFYGXXXX XQLXLEVXGL QLPGSSFVNP DATA SEQUENCE DDPLREALNK XAAKQVCRLT ELGTQYSPIG EVVNEKSIVN GIVALLATGG DATA SEQUENCE STNLTXHIVA AARAAGIIVN WDDFSELSDA VPLLARVYPN GHADINHFHA DATA SEQUENCE AGGXAFLIKE LLDAGLLHED VNTVAGYGLR RYTQEPKLLD GELRWVDGPT DATA SEQUENCE VSLDTEVLTS VATPFQNNGG LKLLKGNLGR AVIKVSAVQP QHRVVEAPAV DATA SEQUENCE VIDDQNKLDA LFKSGALDRD CVVVVKGQGP KANGXPELHK LTPLLGSLQD DATA SEQUENCE KGFKVALXTD GRXSGASGKV PAAIHLTPEA IDGGLIAKVQ DGDLIRVDAL DATA SEQUENCE TGELSLLVSD TELATRTATE IDLRHSRYGX GRELFGVLRS NLSSPETGAR DATA SEQUENCE STSAIDELY 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.324 175.328 -0.006 0.000 0.993 0 H CA 0.000 56.049 56.048 0.001 0.000 1.023 0 H CB 0.000 29.760 29.762 -0.003 0.000 1.292 3 S N 2.387 118.036 115.700 -0.086 0.000 2.387 3 S HA -0.144 4.325 4.470 -0.002 0.000 0.230 3 S C 1.723 176.390 174.600 0.112 0.000 1.035 3 S CA 1.726 59.923 58.200 -0.004 0.000 1.014 3 S CB -0.472 62.680 63.200 -0.080 0.000 0.836 3 S HN 0.268 nan 8.310 nan 0.000 0.466 4 V N 1.529 121.616 119.914 0.288 0.000 2.379 4 V HA -0.090 4.029 4.120 -0.002 0.000 0.245 4 V C 2.687 178.838 176.094 0.096 0.000 1.044 4 V CA 1.554 63.963 62.300 0.182 0.000 1.036 4 V CB -0.697 31.232 31.823 0.176 0.000 0.664 4 V HN 0.488 nan 8.190 nan 0.000 0.453 5 V N -0.344 119.621 119.914 0.086 0.000 2.427 5 V HA -0.263 3.855 4.120 -0.002 0.000 0.248 5 V C 2.421 178.549 176.094 0.056 0.000 1.051 5 V CA 2.002 64.305 62.300 0.005 0.000 1.048 5 V CB -0.675 31.092 31.823 -0.093 0.000 0.666 5 V HN 0.519 nan 8.190 nan 0.000 0.456 6 Q N 0.438 120.282 119.800 0.073 0.000 2.079 6 Q HA -0.166 4.173 4.340 -0.002 0.000 0.200 6 Q C 2.496 178.544 176.000 0.081 0.000 0.974 6 Q CA 2.186 58.052 55.803 0.105 0.000 0.840 6 Q CB -0.645 28.138 28.738 0.075 0.000 0.898 6 Q HN 0.569 nan 8.270 nan 0.000 0.430 7 S N -1.413 114.323 115.700 0.060 0.000 2.356 7 S HA -0.106 4.362 4.470 -0.002 0.000 0.223 7 S C 1.845 176.467 174.600 0.037 0.000 1.032 7 S CA 1.411 59.636 58.200 0.043 0.000 1.005 7 S CB -0.381 62.843 63.200 0.040 0.000 0.867 7 S HN 0.285 nan 8.310 nan 0.000 0.449 8 V N 1.445 121.381 119.914 0.036 0.000 2.358 8 V HA -0.113 4.006 4.120 -0.002 0.000 0.246 8 V C 2.663 178.767 176.094 0.017 0.000 1.047 8 V CA 2.183 64.493 62.300 0.018 0.000 1.035 8 V CB -1.379 30.443 31.823 -0.001 0.000 0.658 8 V HN 0.557 nan 8.190 nan 0.000 0.452 9 T N -0.064 114.520 114.554 0.050 0.000 2.652 9 T HA -0.222 4.127 4.350 -0.002 0.000 0.267 9 T C 1.653 176.358 174.700 0.009 0.000 1.039 9 T CA 1.868 63.996 62.100 0.046 0.000 1.153 9 T CB -0.429 68.523 68.868 0.139 0.000 0.863 9 T HN 0.465 nan 8.240 nan 0.000 0.428 10 D N 0.518 120.932 120.400 0.022 0.000 2.149 10 D HA -0.078 4.561 4.640 -0.002 0.000 0.198 10 D C 2.195 178.497 176.300 0.003 0.000 0.990 10 D CA 0.880 54.885 54.000 0.009 0.000 0.839 10 D CB -0.328 40.483 40.800 0.017 0.000 0.948 10 D HN 0.319 nan 8.370 nan 0.000 0.460 11 R N 0.356 120.860 120.500 0.007 0.000 2.081 11 R HA -0.065 4.273 4.340 -0.002 0.000 0.235 11 R C 2.347 178.646 176.300 -0.003 0.000 1.131 11 R CA 0.875 56.977 56.100 0.005 0.000 0.960 11 R CB -0.230 30.076 30.300 0.009 0.000 0.856 11 R HN 0.159 nan 8.270 nan 0.000 0.436 12 I N 0.382 120.946 120.570 -0.010 0.000 2.252 12 I HA -0.263 3.906 4.170 -0.002 0.000 0.245 12 I C 2.166 178.270 176.117 -0.021 0.000 1.102 12 I CA 1.119 62.407 61.300 -0.020 0.000 1.385 12 I CB -0.154 37.827 38.000 -0.033 0.000 1.064 12 I HN 0.200 nan 8.210 nan 0.000 0.414 13 I N 0.819 121.375 120.570 -0.022 0.000 2.163 13 I HA -0.317 3.852 4.170 -0.002 0.000 0.243 13 I C 2.797 178.907 176.117 -0.012 0.000 1.085 13 I CA 1.489 62.776 61.300 -0.022 0.000 1.347 13 I CB -0.493 37.492 38.000 -0.025 0.000 1.044 13 I HN 0.194 nan 8.210 nan 0.000 0.408 14 A N 0.529 123.345 122.820 -0.007 0.000 1.902 14 A HA -0.239 4.080 4.320 -0.002 0.000 0.217 14 A C 2.436 180.019 177.584 -0.003 0.000 1.181 14 A CA 1.754 53.789 52.037 -0.003 0.000 0.623 14 A CB -0.610 18.390 19.000 0.000 0.000 0.818 14 A HN 0.349 nan 8.150 nan 0.000 0.443 15 R N -0.395 120.102 120.500 -0.005 0.000 2.148 15 R HA -0.007 4.331 4.340 -0.002 0.000 0.223 15 R C 1.356 177.651 176.300 -0.007 0.000 1.088 15 R CA 1.375 57.472 56.100 -0.005 0.000 0.985 15 R CB -0.072 30.224 30.300 -0.006 0.000 0.880 15 R HN 0.472 nan 8.270 nan 0.000 0.451 16 S N 0.189 115.882 115.700 -0.011 0.000 2.556 16 S HA 0.034 4.503 4.470 -0.002 0.000 0.216 16 S C 1.116 175.713 174.600 -0.005 0.000 0.970 16 S CA -0.038 58.154 58.200 -0.013 0.000 0.912 16 S CB 0.414 63.600 63.200 -0.023 0.000 0.790 16 S HN 0.209 nan 8.310 nan 0.000 0.504 17 K N 3.252 123.651 120.400 -0.001 0.000 2.030 17 K HA -0.234 4.085 4.320 -0.002 0.000 0.222 17 K C 1.980 178.586 176.600 0.010 0.000 1.056 17 K CA 2.073 58.363 56.287 0.004 0.000 0.957 17 K CB -0.753 31.750 32.500 0.005 0.000 0.727 17 K HN 0.297 nan 8.250 nan 0.000 0.452 18 A N -0.120 122.708 122.820 0.013 0.000 1.855 18 A HA -0.139 4.180 4.320 -0.002 0.000 0.215 18 A C 2.242 179.841 177.584 0.026 0.000 1.191 18 A CA 2.349 54.400 52.037 0.023 0.000 0.613 18 A CB -1.168 17.847 19.000 0.025 0.000 0.829 18 A HN 0.583 nan 8.150 nan 0.000 0.442 19 S N 0.022 115.734 115.700 0.019 0.000 2.370 19 S HA -0.245 4.223 4.470 -0.002 0.000 0.226 19 S C 2.002 176.617 174.600 0.026 0.000 1.033 19 S CA 1.606 59.818 58.200 0.020 0.000 1.011 19 S CB -0.439 62.762 63.200 0.002 0.000 0.852 19 S HN 0.482 nan 8.310 nan 0.000 0.457 20 R N 1.624 122.135 120.500 0.019 0.000 2.092 20 R HA 0.060 4.399 4.340 -0.002 0.000 0.231 20 R C 2.164 178.495 176.300 0.052 0.000 1.119 20 R CA 1.852 57.978 56.100 0.044 0.000 0.970 20 R CB -0.825 29.487 30.300 0.020 0.000 0.864 20 R HN 0.667 nan 8.270 nan 0.000 0.440 21 E N -0.664 119.548 120.200 0.019 0.000 2.110 21 E HA -0.148 4.201 4.350 -0.002 0.000 0.193 21 E C 1.795 178.361 176.600 -0.057 0.000 0.988 21 E CA 1.310 57.708 56.400 -0.002 0.000 0.804 21 E CB -0.128 29.578 29.700 0.010 0.000 0.745 21 E HN 0.485 nan 8.360 nan 0.000 0.458 22 A N 0.321 123.100 122.820 -0.069 0.000 1.929 22 A HA -0.174 4.145 4.320 -0.002 0.000 0.216 22 A C 1.966 179.285 177.584 -0.441 0.000 1.176 22 A CA 1.016 52.897 52.037 -0.260 0.000 0.628 22 A CB -0.626 18.339 19.000 -0.058 0.000 0.816 22 A HN 0.379 nan 8.150 nan 0.000 0.444 23 Y N 0.862 120.998 120.300 -0.273 0.000 2.097 23 Y HA -0.194 4.355 4.550 -0.003 0.000 0.282 23 Y C 1.940 177.716 175.900 -0.207 0.000 1.152 23 Y CA 2.014 59.983 58.100 -0.219 0.000 1.136 23 Y CB -0.397 37.998 38.460 -0.108 0.000 0.975 23 Y HN 0.210 nan 8.280 nan 0.000 0.498 24 L N -0.387 120.730 121.223 -0.177 0.000 2.131 24 L HA -0.182 4.157 4.340 -0.002 0.000 0.210 24 L C 2.737 179.471 176.870 -0.227 0.000 1.092 24 L CA 0.971 55.687 54.840 -0.207 0.000 0.759 24 L CB -1.021 41.007 42.059 -0.051 0.000 0.903 24 L HN 0.334 nan 8.230 nan 0.000 0.435 25 A N 0.314 122.979 122.820 -0.260 0.000 1.902 25 A HA -0.141 4.178 4.320 -0.002 0.000 0.217 25 A C 2.573 179.996 177.584 -0.269 0.000 1.181 25 A CA 1.700 53.603 52.037 -0.223 0.000 0.623 25 A CB -0.631 18.255 19.000 -0.191 0.000 0.818 25 A HN 0.379 nan 8.150 nan 0.000 0.443 26 A N -0.685 121.813 122.820 -0.537 0.000 1.902 26 A HA 0.004 4.322 4.320 -0.002 0.000 0.217 26 A C 2.005 179.422 177.584 -0.278 0.000 1.181 26 A CA 1.637 53.466 52.037 -0.346 0.000 0.623 26 A CB -0.579 18.171 19.000 -0.418 0.000 0.818 26 A HN 0.390 nan 8.150 nan 0.000 0.443 27 L N 0.680 121.678 121.223 -0.375 0.000 2.081 27 L HA -0.216 4.123 4.340 -0.002 0.000 0.212 27 L C 2.282 179.068 176.870 -0.139 0.000 1.080 27 L CA 2.056 56.727 54.840 -0.281 0.000 0.754 27 L CB -0.962 40.905 42.059 -0.321 0.000 0.893 27 L HN 0.612 nan 8.230 nan 0.000 0.433 28 N N -0.810 117.826 118.700 -0.107 0.000 2.188 28 N HA -0.180 4.559 4.740 -0.002 0.000 0.184 28 N C 1.222 176.707 175.510 -0.041 0.000 1.018 28 N CA 1.111 54.139 53.050 -0.036 0.000 0.858 28 N CB 0.139 38.615 38.487 -0.018 0.000 0.989 28 N HN 0.367 nan 8.380 nan 0.000 0.426 29 D N 0.863 121.229 120.400 -0.056 0.000 2.144 29 D HA -0.103 4.536 4.640 -0.002 0.000 0.199 29 D C 1.818 178.063 176.300 -0.092 0.000 0.984 29 D CA 0.855 54.831 54.000 -0.039 0.000 0.834 29 D CB -0.342 40.461 40.800 0.006 0.000 0.955 29 D HN 0.355 nan 8.370 nan 0.000 0.465 30 A N 0.989 123.685 122.820 -0.205 0.000 1.972 30 A HA -0.165 4.154 4.320 -0.002 0.000 0.219 30 A C 2.209 179.620 177.584 -0.288 0.000 1.169 30 A CA 1.050 52.850 52.037 -0.396 0.000 0.635 30 A CB -0.366 18.143 19.000 -0.818 0.000 0.810 30 A HN 0.080 nan 8.150 nan 0.000 0.446 31 R N -0.360 120.067 120.500 -0.122 0.000 2.066 31 R HA -0.082 4.256 4.340 -0.002 0.000 0.232 31 R C 1.249 177.565 176.300 0.025 0.000 1.131 31 R CA 1.355 57.475 56.100 0.033 0.000 0.955 31 R CB -0.286 30.048 30.300 0.057 0.000 0.851 31 R HN 0.459 nan 8.270 nan 0.000 0.432 32 N N 0.173 118.882 118.700 0.014 0.000 2.635 32 N HA -0.121 4.618 4.740 -0.002 0.000 0.191 32 N C 0.338 175.886 175.510 0.063 0.000 1.155 32 N CA 0.697 53.762 53.050 0.025 0.000 0.927 32 N CB -0.219 38.280 38.487 0.020 0.000 0.976 32 N HN 0.353 nan 8.380 nan 0.000 0.448 91 L N 1.556 122.777 121.223 -0.004 0.000 2.558 91 L HA 0.167 4.506 4.340 -0.002 0.000 0.225 91 L C 1.212 178.080 176.870 -0.003 0.000 1.128 91 L CA 0.661 55.499 54.840 -0.004 0.000 0.868 91 L CB -0.681 41.376 42.059 -0.004 0.000 1.006 91 L HN 0.245 nan 8.230 nan 0.000 0.454 97 E N -0.114 120.087 120.200 0.002 0.000 2.644 97 E HA 0.109 4.458 4.350 -0.002 0.000 0.271 97 E C -1.898 174.704 176.600 0.004 0.000 1.143 97 E CA 0.042 56.444 56.400 0.004 0.000 0.570 97 E CB 0.294 29.999 29.700 0.007 0.000 1.136 97 E HN 0.005 nan 8.360 nan 0.000 0.428 98 V N 2.687 122.603 119.914 0.002 0.000 2.383 98 V HA 0.679 4.798 4.120 -0.002 0.000 0.261 98 V C 0.543 176.635 176.094 -0.002 0.000 0.987 98 V CA -0.115 62.184 62.300 -0.000 0.000 0.853 98 V CB 1.586 33.407 31.823 -0.003 0.000 1.095 98 V HN 0.552 nan 8.190 nan 0.000 0.461 99 G N 2.046 110.847 108.800 0.001 0.000 2.322 99 G HA2 0.670 4.629 3.960 -0.002 0.000 0.309 99 G HA3 0.670 4.629 3.960 -0.002 0.000 0.309 99 G C -0.146 174.747 174.900 -0.011 0.000 1.121 99 G CA -0.066 45.034 45.100 0.000 0.000 0.886 99 G HN 0.710 nan 8.290 nan 0.000 0.447 100 S N -0.021 115.663 115.700 -0.026 0.000 2.618 100 S HA 0.689 5.158 4.470 -0.002 0.000 0.277 100 S C -1.076 173.476 174.600 -0.080 0.000 1.138 100 S CA -0.834 57.339 58.200 -0.046 0.000 0.844 100 S CB 2.166 65.338 63.200 -0.046 0.000 1.127 100 S HN 0.570 nan 8.310 nan 0.000 0.474 101 V N 1.483 121.333 119.914 -0.106 0.000 2.313 101 V HA 0.730 4.849 4.120 -0.002 0.000 0.278 101 V C 0.371 176.342 176.094 -0.204 0.000 1.017 101 V CA -0.422 61.780 62.300 -0.164 0.000 0.823 101 V CB 0.498 32.219 31.823 -0.171 0.000 1.010 101 V HN 1.160 nan 8.190 nan 0.000 0.443 102 A N 5.870 128.566 122.820 -0.206 0.000 2.310 102 A HA 0.802 5.120 4.320 -0.002 0.000 0.299 102 A C -0.065 177.330 177.584 -0.315 0.000 1.147 102 A CA -0.576 51.328 52.037 -0.222 0.000 0.818 102 A CB 0.769 19.681 19.000 -0.148 0.000 1.096 102 A HN 0.775 nan 8.150 nan 0.000 0.495 103 Q N 1.468 121.021 119.800 -0.411 0.000 2.377 103 Q HA 0.671 5.009 4.340 -0.002 0.000 0.271 103 Q C -1.328 174.511 176.000 -0.267 0.000 1.077 103 Q CA -0.838 54.616 55.803 -0.581 0.000 0.820 103 Q CB 1.598 29.369 28.738 -1.612 0.000 1.347 103 Q HN 0.329 nan 8.270 nan 0.000 0.444 104 V N 0.863 120.705 119.914 -0.121 0.000 2.547 104 V HA 0.700 4.818 4.120 -0.002 0.000 0.299 104 V C 0.355 176.506 176.094 0.094 0.000 1.040 104 V CA 0.196 62.495 62.300 -0.003 0.000 0.913 104 V CB 0.812 32.632 31.823 -0.006 0.000 0.992 104 V HN 1.160 nan 8.190 nan 0.000 0.449 108 V N 4.187 124.062 119.914 -0.063 0.000 2.668 108 V HA 0.655 4.774 4.120 -0.002 0.000 0.304 108 V C -2.096 173.925 176.094 -0.123 0.000 1.071 108 V CA -1.280 60.981 62.300 -0.065 0.000 0.894 108 V CB 2.805 34.617 31.823 -0.019 0.000 1.008 108 V HN 0.714 nan 8.190 nan 0.000 0.425 113 D N 2.001 122.417 120.400 0.028 0.000 2.345 113 D HA 0.518 5.157 4.640 -0.002 0.000 0.247 113 D C 0.858 177.176 176.300 0.030 0.000 1.108 113 D CA 1.446 55.468 54.000 0.036 0.000 0.894 113 D CB 1.711 42.544 40.800 0.053 0.000 1.203 113 D HN 0.869 nan 8.370 nan 0.000 0.430 114 G N 1.930 110.747 108.800 0.028 0.000 3.086 114 G HA2 0.391 4.350 3.960 -0.002 0.000 0.159 114 G HA3 0.391 4.350 3.960 -0.002 0.000 0.159 114 G C 0.015 174.927 174.900 0.019 0.000 1.654 114 G CA 0.242 45.354 45.100 0.020 0.000 1.078 114 G HN 0.661 nan 8.290 nan 0.000 0.558 115 V N -3.188 116.734 119.914 0.013 0.000 3.093 115 V HA 0.831 4.949 4.120 -0.002 0.000 0.320 115 V C -0.244 175.854 176.094 0.006 0.000 1.093 115 V CA 0.052 62.357 62.300 0.009 0.000 1.016 115 V CB 1.778 33.605 31.823 0.006 0.000 1.096 115 V HN 0.866 nan 8.190 nan 0.000 0.452 116 T N 2.460 117.013 114.554 -0.002 0.000 3.313 116 T HA 0.531 4.880 4.350 -0.002 0.000 0.333 116 T C -0.994 173.696 174.700 -0.016 0.000 0.904 116 T CA -0.402 61.690 62.100 -0.014 0.000 1.079 116 T CB 0.361 69.208 68.868 -0.034 0.000 1.017 116 T HN 0.979 nan 8.240 nan 0.000 0.471 117 Q N 2.802 122.597 119.800 -0.007 0.000 3.230 117 Q HA 0.506 4.845 4.340 -0.002 0.000 0.303 117 Q C 0.832 176.831 176.000 -0.002 0.000 0.884 117 Q CA -0.826 54.978 55.803 0.002 0.000 0.859 117 Q CB 1.067 29.815 28.738 0.016 0.000 1.432 117 Q HN 0.655 nan 8.270 nan 0.000 0.403 118 G N 0.473 109.267 108.800 -0.010 0.000 3.152 118 G HA2 0.032 3.991 3.960 -0.002 0.000 0.157 118 G HA3 0.032 3.991 3.960 -0.002 0.000 0.157 118 G C 0.578 175.474 174.900 -0.007 0.000 1.786 118 G CA 0.182 45.276 45.100 -0.011 0.000 1.055 118 G HN 0.264 nan 8.290 nan 0.000 0.528 119 Q N -0.376 119.417 119.800 -0.012 0.000 2.530 119 Q HA 0.093 4.432 4.340 -0.002 0.000 0.198 119 Q C 0.020 176.009 176.000 -0.019 0.000 0.956 119 Q CA 0.614 56.411 55.803 -0.009 0.000 0.870 119 Q CB -1.327 27.403 28.738 -0.013 0.000 1.050 119 Q HN 0.340 nan 8.270 nan 0.000 0.604 120 P HA 0.077 nan 4.420 nan 0.000 0.231 120 P C 0.648 177.915 177.300 -0.056 0.000 1.168 120 P CA 0.766 63.839 63.100 -0.046 0.000 0.779 120 P CB -0.205 31.463 31.700 -0.053 0.000 0.844 124 L N 0.577 121.674 121.223 -0.209 0.000 2.664 124 L HA 0.228 4.567 4.340 -0.002 0.000 0.233 124 L C 2.167 178.916 176.870 -0.202 0.000 1.113 124 L CA 0.310 54.944 54.840 -0.344 0.000 0.896 124 L CB 0.361 42.142 42.059 -0.463 0.000 1.163 124 L HN 0.030 nan 8.230 nan 0.000 0.497 125 S N 0.962 116.597 115.700 -0.108 0.000 2.359 125 S HA -0.192 4.277 4.470 -0.002 0.000 0.224 125 S C 1.940 176.531 174.600 -0.016 0.000 1.035 125 S CA 1.276 59.449 58.200 -0.045 0.000 1.018 125 S CB -0.024 63.167 63.200 -0.015 0.000 0.876 125 S HN 0.432 nan 8.310 nan 0.000 0.448 126 L N 0.685 121.902 121.223 -0.011 0.000 2.056 126 L HA 0.021 4.359 4.340 -0.002 0.000 0.207 126 L C 2.352 179.239 176.870 0.029 0.000 1.078 126 L CA 1.482 56.343 54.840 0.034 0.000 0.749 126 L CB -0.503 41.566 42.059 0.016 0.000 0.901 126 L HN 0.416 nan 8.230 nan 0.000 0.433 127 L N -0.089 121.126 121.223 -0.015 0.000 2.191 127 L HA -0.213 4.125 4.340 -0.002 0.000 0.212 127 L C 2.794 179.720 176.870 0.094 0.000 1.103 127 L CA 1.417 56.276 54.840 0.032 0.000 0.769 127 L CB -0.402 41.619 42.059 -0.064 0.000 0.908 127 L HN 0.425 nan 8.230 nan 0.000 0.438 128 S N -0.491 115.230 115.700 0.035 0.000 2.423 128 S HA -0.230 4.239 4.470 -0.002 0.000 0.231 128 S C 2.058 176.696 174.600 0.064 0.000 1.014 128 S CA 0.754 59.000 58.200 0.076 0.000 0.965 128 S CB -0.393 62.826 63.200 0.030 0.000 0.785 128 S HN 0.418 nan 8.310 nan 0.000 0.495 129 R N 1.393 121.915 120.500 0.036 0.000 2.073 129 R HA -0.107 4.231 4.340 -0.002 0.000 0.234 129 R C 1.964 178.294 176.300 0.050 0.000 1.134 129 R CA 1.723 57.831 56.100 0.014 0.000 0.952 129 R CB -0.273 30.015 30.300 -0.022 0.000 0.850 129 R HN 0.420 nan 8.270 nan 0.000 0.433 130 E N 0.215 120.461 120.200 0.077 0.000 2.110 130 E HA -0.130 4.218 4.350 -0.002 0.000 0.193 130 E C 2.135 178.789 176.600 0.091 0.000 0.988 130 E CA 1.171 57.623 56.400 0.086 0.000 0.804 130 E CB -0.211 29.549 29.700 0.099 0.000 0.745 130 E HN 0.236 nan 8.360 nan 0.000 0.458 131 V N 1.649 121.632 119.914 0.116 0.000 2.295 131 V HA -0.229 3.889 4.120 -0.002 0.000 0.246 131 V C 2.460 178.601 176.094 0.077 0.000 1.049 131 V CA 1.392 63.756 62.300 0.107 0.000 1.024 131 V CB -0.488 31.434 31.823 0.165 0.000 0.648 131 V HN 0.159 nan 8.190 nan 0.000 0.447 132 I N 0.228 120.841 120.570 0.070 0.000 2.208 132 I HA -0.153 4.016 4.170 -0.002 0.000 0.245 132 I C 1.828 177.979 176.117 0.057 0.000 1.097 132 I CA 0.911 62.243 61.300 0.054 0.000 1.363 132 I CB -0.505 37.520 38.000 0.042 0.000 1.051 132 I HN 0.309 nan 8.210 nan 0.000 0.413 136 T N 0.969 115.546 114.554 0.038 0.000 2.708 136 T HA 0.036 4.384 4.350 -0.002 0.000 0.266 136 T C 2.194 176.901 174.700 0.012 0.000 1.037 136 T CA 2.246 64.353 62.100 0.012 0.000 1.146 136 T CB -0.443 68.441 68.868 0.026 0.000 0.865 136 T HN 0.889 nan 8.240 nan 0.000 0.435 137 A N 1.115 123.999 122.820 0.107 0.000 1.908 137 A HA -0.084 4.235 4.320 -0.002 0.000 0.218 137 A C 2.589 180.252 177.584 0.131 0.000 1.181 137 A CA 1.562 53.739 52.037 0.234 0.000 0.627 137 A CB -1.092 18.078 19.000 0.282 0.000 0.818 137 A HN 0.364 nan 8.150 nan 0.000 0.445 138 V N -0.076 119.882 119.914 0.072 0.000 2.343 138 V HA -0.194 3.925 4.120 -0.002 0.000 0.247 138 V C 2.820 178.916 176.094 0.004 0.000 1.051 138 V CA 1.988 64.303 62.300 0.025 0.000 1.036 138 V CB -1.585 30.258 31.823 0.035 0.000 0.654 138 V HN 0.610 nan 8.190 nan 0.000 0.451 139 G N -0.158 108.671 108.800 0.049 0.000 2.418 139 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.217 139 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.217 139 G C 1.541 176.553 174.900 0.187 0.000 1.158 139 G CA 0.850 46.029 45.100 0.131 0.000 0.771 139 G HN 0.492 nan 8.290 nan 0.000 0.545 140 L N 1.701 122.867 121.223 -0.096 0.000 2.395 140 L HA 0.021 4.360 4.340 -0.002 0.000 0.218 140 L C 2.882 179.603 176.870 -0.248 0.000 1.130 140 L CA 0.941 55.608 54.840 -0.288 0.000 0.826 140 L CB -0.091 41.221 42.059 -1.245 0.000 0.941 140 L HN 0.378 nan 8.230 nan 0.000 0.451 141 S N -1.976 113.677 115.700 -0.078 0.000 2.603 141 S HA -0.114 4.355 4.470 -0.002 0.000 0.229 141 S C 1.607 176.154 174.600 -0.088 0.000 0.972 141 S CA 0.274 58.528 58.200 0.090 0.000 0.935 141 S CB -0.561 62.690 63.200 0.086 0.000 0.769 141 S HN 0.476 nan 8.310 nan 0.000 0.536 142 H N 1.213 120.297 119.070 0.024 0.000 2.529 142 H HA 0.161 4.716 4.556 -0.002 0.000 0.277 142 H C 1.184 176.323 175.328 -0.314 0.000 0.999 142 H CA 0.630 56.622 56.048 -0.094 0.000 1.256 142 H CB -0.556 29.198 29.762 -0.013 0.000 1.402 142 H HN 0.529 nan 8.280 nan 0.000 0.566 146 D N 0.904 121.410 120.400 0.177 0.000 2.354 146 D HA 0.341 4.980 4.640 -0.002 0.000 0.209 146 D C 0.875 177.231 176.300 0.094 0.000 1.015 146 D CA 0.914 54.975 54.000 0.102 0.000 0.867 146 D CB 1.180 42.022 40.800 0.071 0.000 0.933 146 D HN 0.736 nan 8.370 nan 0.000 0.520 147 G N -0.184 108.677 108.800 0.102 0.000 2.495 147 G HA2 0.569 4.528 3.960 -0.002 0.000 0.294 147 G HA3 0.569 4.528 3.960 -0.002 0.000 0.294 147 G C -1.928 172.969 174.900 -0.005 0.000 1.397 147 G CA -0.100 45.029 45.100 0.049 0.000 0.790 147 G HN 0.168 nan 8.290 nan 0.000 0.486 148 A N -0.966 121.815 122.820 -0.065 0.000 2.594 148 A HA 0.885 5.204 4.320 -0.002 0.000 0.291 148 A C -1.562 175.929 177.584 -0.155 0.000 1.105 148 A CA -0.595 51.347 52.037 -0.158 0.000 0.694 148 A CB 1.425 20.296 19.000 -0.216 0.000 1.291 148 A HN 0.986 nan 8.150 nan 0.000 0.410 149 L N 0.681 121.789 121.223 -0.192 0.000 2.386 149 L HA 0.594 4.933 4.340 -0.002 0.000 0.271 149 L C -1.197 175.531 176.870 -0.237 0.000 0.993 149 L CA -0.437 54.296 54.840 -0.179 0.000 0.819 149 L CB 1.847 43.836 42.059 -0.117 0.000 1.294 149 L HN 0.591 nan 8.230 nan 0.000 0.414 150 L N 4.845 125.882 121.223 -0.311 0.000 2.325 150 L HA 0.520 4.859 4.340 -0.002 0.000 0.281 150 L C -0.735 176.027 176.870 -0.179 0.000 1.004 150 L CA -0.512 54.108 54.840 -0.368 0.000 0.823 150 L CB 1.685 43.247 42.059 -0.829 0.000 1.236 150 L HN 0.458 nan 8.230 nan 0.000 0.415 151 L N 3.784 124.953 121.223 -0.089 0.000 2.321 151 L HA 0.668 5.006 4.340 -0.002 0.000 0.272 151 L C 0.352 177.240 176.870 0.030 0.000 1.050 151 L CA -0.302 54.532 54.840 -0.011 0.000 0.893 151 L CB 0.899 42.943 42.059 -0.026 0.000 1.272 151 L HN 0.684 nan 8.230 nan 0.000 0.435 152 G N 1.063 109.923 108.800 0.099 0.000 2.620 152 G HA2 0.594 4.553 3.960 -0.002 0.000 0.301 152 G HA3 0.594 4.553 3.960 -0.002 0.000 0.301 152 G C 0.115 175.062 174.900 0.078 0.000 1.347 152 G CA -0.470 44.693 45.100 0.105 0.000 0.971 152 G HN 0.254 nan 8.290 nan 0.000 0.488 153 I N 0.176 120.770 120.570 0.040 0.000 2.265 153 I HA 0.255 4.424 4.170 -0.002 0.000 0.225 153 I C 1.242 177.358 176.117 -0.001 0.000 1.061 153 I CA 0.899 62.207 61.300 0.013 0.000 1.357 153 I CB -0.289 37.715 38.000 0.006 0.000 1.150 153 I HN 0.582 nan 8.210 nan 0.000 0.402 154 C N -1.745 117.551 119.300 -0.007 0.000 3.165 154 C HA 0.247 4.706 4.460 -0.002 0.000 0.345 154 C C 0.336 175.315 174.990 -0.020 0.000 1.367 154 C CA -0.100 58.905 59.018 -0.022 0.000 1.205 154 C CB 0.478 28.205 27.740 -0.022 0.000 1.447 154 C HN 0.845 nan 8.230 nan 0.000 0.451 155 D N 1.116 121.506 120.400 -0.017 0.000 4.539 155 D HA -0.285 4.353 4.640 -0.002 0.000 0.229 155 D C 1.386 177.641 176.300 -0.075 0.000 0.808 155 D CA 2.858 56.862 54.000 0.006 0.000 1.904 155 D CB -0.751 40.072 40.800 0.039 0.000 1.096 155 D HN 0.822 nan 8.370 nan 0.000 0.404 156 K N 0.864 121.230 120.400 -0.057 0.000 2.098 156 K HA 0.141 4.460 4.320 -0.002 0.000 0.203 156 K C 1.494 178.035 176.600 -0.098 0.000 1.051 156 K CA 0.701 56.930 56.287 -0.096 0.000 0.957 156 K CB -0.001 32.483 32.500 -0.027 0.000 0.738 156 K HN 0.527 nan 8.250 nan 0.000 0.447 157 I N 1.639 122.183 120.570 -0.044 0.000 2.577 157 I HA 0.011 4.180 4.170 -0.002 0.000 0.300 157 I C 1.079 177.193 176.117 -0.005 0.000 0.990 157 I CA -0.502 60.793 61.300 -0.009 0.000 1.283 157 I CB 1.603 39.614 38.000 0.018 0.000 1.411 157 I HN -0.065 nan 8.210 nan 0.000 0.515 158 V N 1.922 121.871 119.914 0.059 0.000 0.503 158 V HA -0.246 3.873 4.120 -0.002 0.000 0.092 158 V C -1.847 174.269 176.094 0.037 0.000 2.305 158 V CA 0.749 63.093 62.300 0.074 0.000 3.602 158 V CB -2.528 29.244 31.823 -0.085 0.000 0.888 158 V HN 0.678 nan 8.190 nan 0.000 0.930 159 P HA -0.029 nan 4.420 nan 0.000 0.216 159 P C 1.521 178.818 177.300 -0.006 0.000 1.153 159 P CA 2.284 65.342 63.100 -0.069 0.000 0.848 159 P CB -0.299 31.243 31.700 -0.264 0.000 0.787 160 G N -0.044 108.742 108.800 -0.023 0.000 2.421 160 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.216 160 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.216 160 G C 1.499 176.446 174.900 0.078 0.000 1.171 160 G CA 0.656 45.772 45.100 0.026 0.000 0.775 160 G HN 0.210 nan 8.290 nan 0.000 0.543 161 L N -0.150 121.141 121.223 0.113 0.000 2.017 161 L HA -0.016 4.323 4.340 -0.002 0.000 0.208 161 L C 2.822 179.809 176.870 0.196 0.000 1.073 161 L CA 0.608 55.532 54.840 0.139 0.000 0.745 161 L CB -0.437 41.733 42.059 0.184 0.000 0.894 161 L HN 0.171 nan 8.230 nan 0.000 0.432 162 L N -0.211 121.193 121.223 0.302 0.000 1.989 162 L HA -0.281 4.058 4.340 -0.002 0.000 0.211 162 L C 2.573 179.550 176.870 0.178 0.000 1.071 162 L CA 1.706 56.726 54.840 0.301 0.000 0.749 162 L CB -0.194 41.988 42.059 0.205 0.000 0.890 162 L HN 0.212 nan 8.230 nan 0.000 0.431 163 I N -0.477 120.169 120.570 0.128 0.000 2.118 163 I HA -0.289 3.879 4.170 -0.002 0.000 0.241 163 I C 2.563 178.760 176.117 0.133 0.000 1.070 163 I CA 1.626 62.989 61.300 0.105 0.000 1.327 163 I CB -0.929 37.120 38.000 0.081 0.000 1.034 163 I HN 0.356 nan 8.210 nan 0.000 0.405 164 G N 0.194 109.076 108.800 0.138 0.000 2.418 164 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.217 164 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.217 164 G C 1.848 176.891 174.900 0.238 0.000 1.158 164 G CA 0.835 46.038 45.100 0.172 0.000 0.771 164 G HN 0.514 nan 8.290 nan 0.000 0.545 165 A N 0.667 123.597 122.820 0.184 0.000 1.902 165 A HA 0.082 4.401 4.320 -0.002 0.000 0.217 165 A C 2.369 180.117 177.584 0.274 0.000 1.181 165 A CA 1.245 53.397 52.037 0.192 0.000 0.623 165 A CB -0.410 18.652 19.000 0.104 0.000 0.818 165 A HN 0.358 nan 8.150 nan 0.000 0.443 166 L N -0.346 121.020 121.223 0.239 0.000 2.362 166 L HA -0.108 4.231 4.340 -0.002 0.000 0.219 166 L C 2.556 179.622 176.870 0.327 0.000 1.134 166 L CA 0.902 55.906 54.840 0.273 0.000 0.807 166 L CB -0.299 41.855 42.059 0.159 0.000 0.927 166 L HN 0.282 nan 8.230 nan 0.000 0.447 167 S N -0.573 115.290 115.700 0.271 0.000 2.419 167 S HA -0.043 4.426 4.470 -0.002 0.000 0.233 167 S C 0.846 175.406 174.600 -0.067 0.000 1.016 167 S CA 1.054 59.329 58.200 0.124 0.000 0.974 167 S CB -0.103 63.163 63.200 0.109 0.000 0.786 167 S HN 0.310 nan 8.310 nan 0.000 0.492 168 F N 0.492 120.561 119.950 0.199 0.000 2.928 168 F HA 0.381 4.907 4.527 -0.002 0.000 0.337 168 F C 1.556 177.474 175.800 0.197 0.000 1.259 168 F CA -0.876 57.270 58.000 0.242 0.000 1.267 168 F CB -0.132 38.962 39.000 0.156 0.000 0.986 168 F HN 0.082 nan 8.300 nan 0.000 0.507 169 G N -0.512 108.483 108.800 0.324 0.000 2.535 169 G HA2 -0.287 3.671 3.960 -0.002 0.000 0.218 169 G HA3 -0.287 3.671 3.960 -0.002 0.000 0.218 169 G C 1.362 176.371 174.900 0.181 0.000 1.122 169 G CA 1.097 46.345 45.100 0.248 0.000 0.769 169 G HN 0.685 nan 8.290 nan 0.000 0.549 170 H N -1.226 117.896 119.070 0.087 0.000 2.529 170 H HA 0.337 4.892 4.556 -0.002 0.000 0.277 170 H C 0.936 176.411 175.328 0.244 0.000 0.999 170 H CA -0.309 55.825 56.048 0.143 0.000 1.256 170 H CB -0.111 29.722 29.762 0.118 0.000 1.402 170 H HN 0.198 nan 8.280 nan 0.000 0.566 171 L N 2.981 124.069 121.223 -0.225 0.000 2.350 171 L HA 0.314 4.653 4.340 -0.002 0.000 0.275 171 L C -1.919 174.971 176.870 0.034 0.000 1.099 171 L CA -2.439 52.346 54.840 -0.091 0.000 0.808 171 L CB 0.894 42.877 42.059 -0.127 0.000 1.149 171 L HN 0.160 nan 8.230 nan 0.000 0.442 175 F N 2.180 122.146 119.950 0.028 0.000 2.412 175 F HA 0.526 5.052 4.527 -0.002 0.000 0.348 175 F C 0.461 176.276 175.800 0.025 0.000 1.102 175 F CA -0.271 57.741 58.000 0.019 0.000 1.196 175 F CB 1.149 40.161 39.000 0.019 0.000 1.144 175 F HN 0.037 nan 8.300 nan 0.000 0.541 176 V N 5.682 125.686 119.914 0.149 0.000 2.284 176 V HA 0.291 4.410 4.120 -0.002 0.000 0.274 176 V C -2.105 174.042 176.094 0.089 0.000 1.023 176 V CA -1.699 60.659 62.300 0.096 0.000 0.808 176 V CB 0.749 32.595 31.823 0.038 0.000 1.035 176 V HN 0.524 nan 8.190 nan 0.000 0.445 177 P HA 0.327 nan 4.420 nan 0.000 0.277 177 P C 0.421 177.730 177.300 0.014 0.000 1.240 177 P CA -0.305 62.818 63.100 0.039 0.000 0.798 177 P CB 2.057 33.757 31.700 -0.000 0.000 0.979 178 A N 1.699 124.518 122.820 -0.001 0.000 1.984 178 A HA 0.490 4.808 4.320 -0.002 0.000 0.214 178 A C 1.079 178.652 177.584 -0.019 0.000 1.173 178 A CA 1.305 53.338 52.037 -0.006 0.000 0.673 178 A CB -1.077 17.920 19.000 -0.005 0.000 0.830 178 A HN 0.887 nan 8.150 nan 0.000 0.453 179 G N -1.167 107.608 108.800 -0.043 0.000 2.434 179 G HA2 0.181 4.140 3.960 -0.002 0.000 0.671 179 G HA3 0.181 4.140 3.960 -0.002 0.000 0.671 179 G C -3.035 171.835 174.900 -0.049 0.000 1.280 179 G CA -0.371 44.695 45.100 -0.058 0.000 0.975 179 G HN 0.433 nan 8.290 nan 0.000 0.510 201 K N 0.479 120.884 120.400 0.008 0.000 2.307 201 K HA 0.356 4.674 4.320 -0.002 0.000 0.240 201 K C 1.087 177.688 176.600 0.002 0.000 1.214 201 K CA -0.327 55.964 56.287 0.006 0.000 1.149 201 K CB 0.831 33.338 32.500 0.011 0.000 1.668 201 K HN 0.625 nan 8.250 nan 0.000 0.314 202 V N -1.109 118.807 119.914 0.002 0.000 3.546 202 V HA -0.158 3.961 4.120 -0.002 0.000 0.272 202 V C 0.850 176.943 176.094 -0.002 0.000 1.228 202 V CA 0.947 63.248 62.300 0.002 0.000 1.184 202 V CB -1.319 30.506 31.823 0.003 0.000 0.886 202 V HN 0.615 nan 8.190 nan 0.000 0.508 203 D N 2.373 122.771 120.400 -0.004 0.000 2.117 203 D HA -0.277 4.362 4.640 -0.002 0.000 0.197 203 D C 2.167 178.460 176.300 -0.012 0.000 0.987 203 D CA 1.807 55.803 54.000 -0.007 0.000 0.829 203 D CB -0.440 40.357 40.800 -0.005 0.000 0.961 203 D HN 0.539 nan 8.370 nan 0.000 0.460 204 R N 1.577 122.066 120.500 -0.019 0.000 2.062 204 R HA 0.111 4.450 4.340 -0.002 0.000 0.229 204 R C 2.291 178.577 176.300 -0.024 0.000 1.128 204 R CA 1.483 57.564 56.100 -0.033 0.000 0.960 204 R CB -1.274 28.994 30.300 -0.054 0.000 0.855 204 R HN 0.261 nan 8.270 nan 0.000 0.432 205 A N 1.527 124.342 122.820 -0.008 0.000 1.978 205 A HA -0.194 4.125 4.320 -0.002 0.000 0.220 205 A C 2.258 179.847 177.584 0.010 0.000 1.170 205 A CA 1.582 53.627 52.037 0.013 0.000 0.636 205 A CB -0.418 18.598 19.000 0.027 0.000 0.810 205 A HN 0.546 nan 8.150 nan 0.000 0.448 206 Q N -0.694 119.105 119.800 -0.001 0.000 2.083 206 Q HA -0.003 4.336 4.340 -0.002 0.000 0.198 206 Q C 2.028 178.022 176.000 -0.011 0.000 0.969 206 Q CA 1.203 57.002 55.803 -0.005 0.000 0.838 206 Q CB -0.261 28.473 28.738 -0.007 0.000 0.900 206 Q HN 0.693 nan 8.270 nan 0.000 0.436 207 L N 0.562 121.777 121.223 -0.013 0.000 2.042 207 L HA -0.207 4.132 4.340 -0.002 0.000 0.210 207 L C 2.349 179.209 176.870 -0.018 0.000 1.076 207 L CA 0.723 55.553 54.840 -0.017 0.000 0.749 207 L CB -0.526 41.521 42.059 -0.021 0.000 0.893 207 L HN 0.331 nan 8.230 nan 0.000 0.432 208 L N 0.885 122.098 121.223 -0.016 0.000 2.056 208 L HA -0.206 4.132 4.340 -0.002 0.000 0.207 208 L C 2.584 179.448 176.870 -0.009 0.000 1.078 208 L CA 2.329 57.163 54.840 -0.011 0.000 0.749 208 L CB -0.683 41.376 42.059 0.001 0.000 0.901 208 L HN 0.557 nan 8.230 nan 0.000 0.433 209 E N 0.120 120.316 120.200 -0.005 0.000 2.209 209 E HA -0.162 4.187 4.350 -0.002 0.000 0.196 209 E C 1.342 177.916 176.600 -0.043 0.000 0.993 209 E CA 1.332 57.720 56.400 -0.021 0.000 0.819 209 E CB -0.190 29.499 29.700 -0.020 0.000 0.745 209 E HN 0.469 nan 8.360 nan 0.000 0.477 210 A N 0.600 123.400 122.820 -0.034 0.000 2.535 210 A HA 0.155 4.474 4.320 -0.002 0.000 0.273 210 A C 1.009 178.574 177.584 -0.032 0.000 1.267 210 A CA 0.323 52.338 52.037 -0.036 0.000 0.940 210 A CB 0.040 19.023 19.000 -0.028 0.000 1.101 210 A HN 0.352 nan 8.150 nan 0.000 0.521 211 E N -2.007 118.175 120.200 -0.031 0.000 4.280 211 E HA -0.326 4.023 4.350 -0.002 0.000 0.363 211 E C 1.222 177.814 176.600 -0.014 0.000 0.588 211 E CA 1.644 58.028 56.400 -0.026 0.000 1.520 211 E CB -2.033 27.651 29.700 -0.027 0.000 1.861 211 E HN 1.035 nan 8.360 nan 0.000 0.402 212 A N 0.987 123.800 122.820 -0.012 0.000 1.948 212 A HA -0.159 4.160 4.320 -0.002 0.000 0.220 212 A C 1.350 178.937 177.584 0.005 0.000 1.177 212 A CA 1.962 53.997 52.037 -0.004 0.000 0.636 212 A CB -0.138 18.857 19.000 -0.007 0.000 0.815 212 A HN 0.363 nan 8.150 nan 0.000 0.449 213 Q N -0.838 118.960 119.800 -0.003 0.000 2.413 213 Q HA 0.559 4.898 4.340 -0.002 0.000 0.276 213 Q C -0.773 175.235 176.000 0.013 0.000 1.099 213 Q CA -0.380 55.422 55.803 -0.003 0.000 0.814 213 Q CB 1.881 30.583 28.738 -0.060 0.000 1.379 213 Q HN 0.286 nan 8.270 nan 0.000 0.436 214 S N 0.895 116.644 115.700 0.082 0.000 2.645 214 S HA 0.118 4.587 4.470 -0.002 0.000 0.266 214 S C 1.013 175.716 174.600 0.172 0.000 1.258 214 S CA -0.465 57.855 58.200 0.200 0.000 0.990 214 S CB 0.079 63.592 63.200 0.521 0.000 0.967 214 S HN 0.663 nan 8.310 nan 0.000 0.556 215 Y N 2.000 122.278 120.300 -0.037 0.000 2.241 215 Y HA -0.264 4.285 4.550 -0.002 0.000 0.286 215 Y C 2.339 178.170 175.900 -0.116 0.000 1.166 215 Y CA 2.000 60.041 58.100 -0.099 0.000 1.203 215 Y CB -2.091 36.309 38.460 -0.100 0.000 0.977 215 Y HN 0.957 nan 8.280 nan 0.000 0.529 216 H N -0.233 118.804 119.070 -0.055 0.000 2.319 216 H HA -0.107 4.448 4.556 -0.002 0.000 0.297 216 H C 1.647 176.885 175.328 -0.150 0.000 1.097 216 H CA 1.847 57.750 56.048 -0.242 0.000 1.285 216 H CB -0.848 28.822 29.762 -0.153 0.000 1.368 216 H HN 0.399 nan 8.280 nan 0.000 0.495 217 S N 1.009 116.133 115.700 -0.960 0.000 2.395 217 S HA 0.132 4.601 4.470 -0.002 0.000 0.225 217 S C 2.559 176.954 174.600 -0.342 0.000 1.027 217 S CA 0.716 58.516 58.200 -0.668 0.000 0.965 217 S CB -0.269 62.523 63.200 -0.680 0.000 0.812 217 S HN 0.709 nan 8.310 nan 0.000 0.482 218 A N 1.772 124.438 122.820 -0.257 0.000 1.873 218 A HA 0.120 4.438 4.320 -0.002 0.000 0.215 218 A C 2.329 179.798 177.584 -0.192 0.000 1.186 218 A CA 1.643 53.580 52.037 -0.166 0.000 0.616 218 A CB -1.481 17.464 19.000 -0.091 0.000 0.823 218 A HN 0.495 nan 8.150 nan 0.000 0.442 219 G N -1.105 107.570 108.800 -0.210 0.000 2.446 219 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.217 219 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.217 219 G C 1.747 176.481 174.900 -0.278 0.000 1.168 219 G CA 1.968 46.933 45.100 -0.225 0.000 0.771 219 G HN 0.551 nan 8.290 nan 0.000 0.551 220 T N -0.086 114.277 114.554 -0.319 0.000 2.867 220 T HA -0.184 4.165 4.350 -0.002 0.000 0.268 220 T C 2.519 176.756 174.700 -0.771 0.000 1.057 220 T CA 2.218 64.057 62.100 -0.436 0.000 1.136 220 T CB -0.620 68.045 68.868 -0.338 0.000 0.874 220 T HN 0.537 nan 8.240 nan 0.000 0.466 221 C N 0.899 119.872 119.300 -0.544 0.000 2.533 221 C HA 0.236 4.695 4.460 -0.002 0.000 0.272 221 C C 2.784 177.593 174.990 -0.303 0.000 1.371 221 C CA 0.663 59.381 59.018 -0.500 0.000 1.758 221 C CB -1.394 26.197 27.740 -0.250 0.000 1.972 221 C HN 0.650 nan 8.230 nan 0.000 0.522 222 T N -1.742 112.655 114.554 -0.262 0.000 2.985 222 T HA -0.025 4.323 4.350 -0.002 0.000 0.266 222 T C 1.416 175.941 174.700 -0.292 0.000 1.076 222 T CA 0.836 62.811 62.100 -0.209 0.000 1.135 222 T CB -0.727 68.037 68.868 -0.173 0.000 0.890 222 T HN 0.520 nan 8.240 nan 0.000 0.480 223 F N 1.919 121.551 119.950 -0.529 0.000 2.216 223 F HA 0.042 4.568 4.527 -0.002 0.000 0.300 223 F C 0.213 176.045 175.800 0.053 0.000 1.085 223 F CA 0.344 58.139 58.000 -0.341 0.000 1.326 223 F CB -0.220 38.640 39.000 -0.234 0.000 1.027 223 F HN 0.093 nan 8.300 nan 0.000 0.497 224 Y N 1.836 122.139 120.300 0.006 0.000 2.532 224 Y HA 0.318 4.867 4.550 -0.002 0.000 0.337 224 Y C 1.072 176.929 175.900 -0.072 0.000 1.274 224 Y CA -1.174 56.901 58.100 -0.042 0.000 1.817 224 Y CB -1.379 37.096 38.460 0.025 0.000 1.769 224 Y HN 0.004 nan 8.280 nan 0.000 0.447 235 E N 1.480 121.662 120.200 -0.029 0.000 2.028 235 E HA -0.024 4.325 4.350 -0.002 0.000 0.190 235 E C 1.119 177.612 176.600 -0.178 0.000 0.984 235 E CA 1.407 57.828 56.400 0.035 0.000 0.800 235 E CB 0.254 30.071 29.700 0.194 0.000 0.758 235 E HN 0.288 nan 8.360 nan 0.000 0.448 239 L N 0.719 121.945 121.223 0.005 0.000 2.640 239 L HA 0.414 4.753 4.340 -0.002 0.000 0.230 239 L C 1.095 178.106 176.870 0.235 0.000 1.123 239 L CA 0.645 55.563 54.840 0.130 0.000 0.900 239 L CB -0.284 41.821 42.059 0.076 0.000 1.146 239 L HN 0.690 nan 8.230 nan 0.000 0.484 240 Q N -2.167 117.768 119.800 0.224 0.000 2.501 240 Q HA 0.434 4.773 4.340 -0.002 0.000 0.288 240 Q C -1.014 175.171 176.000 0.308 0.000 1.051 240 Q CA -1.209 54.747 55.803 0.254 0.000 0.788 240 Q CB 1.608 30.475 28.738 0.216 0.000 1.469 240 Q HN -0.246 nan 8.270 nan 0.000 0.416 241 L N 2.127 123.487 121.223 0.228 0.000 2.525 241 L HA 0.177 4.515 4.340 -0.002 0.000 0.278 241 L C -2.138 174.863 176.870 0.218 0.000 1.218 241 L CA -1.034 53.911 54.840 0.175 0.000 0.878 241 L CB -0.594 41.621 42.059 0.260 0.000 1.127 241 L HN 0.553 nan 8.230 nan 0.000 0.492 242 P HA 0.078 nan 4.420 nan 0.000 0.261 242 P C 0.725 178.259 177.300 0.389 0.000 1.183 242 P CA 0.931 64.021 63.100 -0.018 0.000 0.761 242 P CB 0.408 31.855 31.700 -0.421 0.000 0.785 243 G N 3.035 112.069 108.800 0.389 0.000 2.168 243 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.257 243 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.257 243 G C 1.122 176.209 174.900 0.313 0.000 0.997 243 G CA 0.693 46.035 45.100 0.404 0.000 0.708 243 G HN 0.593 nan 8.290 nan 0.000 0.520 244 S N -0.291 115.566 115.700 0.260 0.000 2.461 244 S HA 0.061 4.530 4.470 -0.002 0.000 0.228 244 S C 2.362 176.991 174.600 0.047 0.000 1.005 244 S CA 1.438 59.734 58.200 0.159 0.000 0.942 244 S CB -0.233 63.075 63.200 0.181 0.000 0.776 244 S HN 1.400 nan 8.310 nan 0.000 0.514 245 S N 0.313 115.984 115.700 -0.049 0.000 2.522 245 S HA 0.223 4.692 4.470 -0.002 0.000 0.227 245 S C 0.837 175.144 174.600 -0.489 0.000 0.986 245 S CA -0.085 57.930 58.200 -0.309 0.000 0.929 245 S CB -0.707 62.211 63.200 -0.470 0.000 0.769 245 S HN 0.521 nan 8.310 nan 0.000 0.529 246 F N 1.516 121.425 119.950 -0.069 0.000 2.678 246 F HA 0.413 4.938 4.527 -0.003 0.000 0.305 246 F C 0.373 176.040 175.800 -0.222 0.000 1.090 246 F CA -0.677 57.191 58.000 -0.220 0.000 1.272 246 F CB 0.209 38.860 39.000 -0.581 0.000 1.060 246 F HN -0.051 nan 8.300 nan 0.000 0.576 247 V N 0.977 120.892 119.914 0.001 0.000 2.555 247 V HA 0.030 4.148 4.120 -0.002 0.000 0.286 247 V C 0.324 176.415 176.094 -0.004 0.000 1.044 247 V CA -0.878 61.420 62.300 -0.002 0.000 1.026 247 V CB 0.576 32.398 31.823 -0.001 0.000 0.981 247 V HN 0.157 nan 8.190 nan 0.000 0.480 248 N N 5.807 124.510 118.700 0.004 0.000 2.407 248 N HA 0.081 4.819 4.740 -0.002 0.000 0.250 248 N C -1.646 173.863 175.510 -0.001 0.000 1.236 248 N CA -0.805 52.248 53.050 0.005 0.000 0.879 248 N CB 1.016 39.508 38.487 0.010 0.000 1.088 248 N HN 0.336 nan 8.380 nan 0.000 0.450 249 P HA -0.118 nan 4.420 nan 0.000 0.215 249 P C -0.067 177.231 177.300 -0.003 0.000 1.153 249 P CA 1.262 64.360 63.100 -0.004 0.000 0.853 249 P CB 0.207 31.905 31.700 -0.004 0.000 0.788 250 D N -1.259 119.140 120.400 -0.003 0.000 2.349 250 D HA 0.003 4.641 4.640 -0.002 0.000 0.224 250 D C -0.136 176.161 176.300 -0.005 0.000 1.029 250 D CA 0.608 54.607 54.000 -0.003 0.000 0.879 250 D CB -0.639 40.159 40.800 -0.002 0.000 0.906 250 D HN 0.201 nan 8.370 nan 0.000 0.528 251 D N 0.437 120.833 120.400 -0.005 0.000 2.345 251 D HA 0.056 4.695 4.640 -0.002 0.000 0.247 251 D C -1.184 175.109 176.300 -0.012 0.000 1.108 251 D CA -1.692 52.303 54.000 -0.009 0.000 0.894 251 D CB 1.208 42.002 40.800 -0.009 0.000 1.203 251 D HN -0.017 nan 8.370 nan 0.000 0.430 252 P HA -0.136 nan 4.420 nan 0.000 0.222 252 P C 1.450 178.735 177.300 -0.026 0.000 1.147 252 P CA 0.386 63.476 63.100 -0.017 0.000 0.790 252 P CB 0.396 32.086 31.700 -0.017 0.000 0.780 253 L N 0.708 121.910 121.223 -0.034 0.000 2.056 253 L HA -0.062 4.277 4.340 -0.002 0.000 0.207 253 L C 2.721 179.566 176.870 -0.041 0.000 1.078 253 L CA 1.829 56.636 54.840 -0.054 0.000 0.749 253 L CB -1.223 40.795 42.059 -0.067 0.000 0.901 253 L HN -0.219 nan 8.230 nan 0.000 0.433 254 R N 0.239 120.725 120.500 -0.023 0.000 2.105 254 R HA -0.229 4.110 4.340 -0.002 0.000 0.239 254 R C 2.236 178.535 176.300 -0.002 0.000 1.135 254 R CA 2.126 58.221 56.100 -0.008 0.000 0.967 254 R CB -0.689 29.608 30.300 -0.005 0.000 0.861 254 R HN 0.631 nan 8.270 nan 0.000 0.442 255 E N -0.741 119.455 120.200 -0.006 0.000 2.077 255 E HA -0.170 4.179 4.350 -0.002 0.000 0.193 255 E C 1.755 178.356 176.600 0.003 0.000 0.989 255 E CA 1.249 57.649 56.400 -0.001 0.000 0.800 255 E CB -0.205 29.493 29.700 -0.004 0.000 0.746 255 E HN 0.488 nan 8.360 nan 0.000 0.452 256 A N 0.833 123.649 122.820 -0.007 0.000 1.933 256 A HA -0.141 4.177 4.320 -0.002 0.000 0.218 256 A C 2.154 179.749 177.584 0.020 0.000 1.175 256 A CA 0.991 53.026 52.037 -0.004 0.000 0.628 256 A CB -0.570 18.410 19.000 -0.034 0.000 0.814 256 A HN 0.280 nan 8.150 nan 0.000 0.444 257 L N -0.221 121.011 121.223 0.016 0.000 2.201 257 L HA -0.161 4.177 4.340 -0.002 0.000 0.212 257 L C 2.060 178.979 176.870 0.081 0.000 1.105 257 L CA 0.840 55.721 54.840 0.069 0.000 0.775 257 L CB -0.583 41.511 42.059 0.059 0.000 0.913 257 L HN 0.368 nan 8.230 nan 0.000 0.440 258 N N -0.204 118.525 118.700 0.048 0.000 2.188 258 N HA -0.067 4.672 4.740 -0.002 0.000 0.184 258 N C 0.789 176.324 175.510 0.041 0.000 1.018 258 N CA 0.869 53.943 53.050 0.040 0.000 0.858 258 N CB -0.044 38.456 38.487 0.021 0.000 0.989 258 N HN 0.266 nan 8.380 nan 0.000 0.426 262 A N 0.856 123.698 122.820 0.036 0.000 1.877 262 A HA -0.091 4.228 4.320 -0.002 0.000 0.216 262 A C 1.942 179.542 177.584 0.027 0.000 1.186 262 A CA 2.059 54.108 52.037 0.021 0.000 0.620 262 A CB -0.564 18.445 19.000 0.015 0.000 0.822 262 A HN 0.490 nan 8.150 nan 0.000 0.443 263 K N -1.079 119.343 120.400 0.037 0.000 2.097 263 K HA -0.191 4.128 4.320 -0.002 0.000 0.206 263 K C 2.355 178.977 176.600 0.036 0.000 1.049 263 K CA 1.572 57.881 56.287 0.037 0.000 0.933 263 K CB -0.105 32.421 32.500 0.044 0.000 0.717 263 K HN 0.502 nan 8.250 nan 0.000 0.442 264 Q N 1.041 120.864 119.800 0.038 0.000 2.119 264 Q HA -0.104 4.234 4.340 -0.002 0.000 0.201 264 Q C 1.838 177.859 176.000 0.035 0.000 0.972 264 Q CA 1.343 57.165 55.803 0.031 0.000 0.847 264 Q CB -0.017 28.736 28.738 0.025 0.000 0.903 264 Q HN 0.098 nan 8.270 nan 0.000 0.433 265 V N -0.004 119.931 119.914 0.034 0.000 2.407 265 V HA -0.296 3.822 4.120 -0.002 0.000 0.248 265 V C 2.531 178.651 176.094 0.043 0.000 1.055 265 V CA 1.594 63.915 62.300 0.035 0.000 1.049 265 V CB -1.285 30.548 31.823 0.018 0.000 0.662 265 V HN 0.681 nan 8.190 nan 0.000 0.455 266 C N 0.855 120.177 119.300 0.037 0.000 2.413 266 C HA -0.156 4.303 4.460 -0.002 0.000 0.277 266 C C 2.950 177.967 174.990 0.046 0.000 1.265 266 C CA 1.291 60.333 59.018 0.039 0.000 1.752 266 C CB -1.168 26.591 27.740 0.032 0.000 1.998 266 C HN 0.521 nan 8.230 nan 0.000 0.489 267 R N -0.500 120.027 120.500 0.044 0.000 2.235 267 R HA 0.038 4.377 4.340 -0.002 0.000 0.213 267 R C 1.239 177.579 176.300 0.066 0.000 1.059 267 R CA 0.762 56.890 56.100 0.047 0.000 0.997 267 R CB -0.101 30.221 30.300 0.036 0.000 0.884 267 R HN 0.409 nan 8.270 nan 0.000 0.462 268 L N -0.031 121.239 121.223 0.078 0.000 2.640 268 L HA 0.111 4.449 4.340 -0.002 0.000 0.230 268 L C 0.481 177.464 176.870 0.188 0.000 1.123 268 L CA 0.741 55.646 54.840 0.109 0.000 0.900 268 L CB 0.223 42.328 42.059 0.077 0.000 1.146 268 L HN -0.096 nan 8.230 nan 0.000 0.484 269 T N -0.482 114.161 114.554 0.148 0.000 2.855 269 T HA -0.098 4.250 4.350 -0.002 0.000 0.314 269 T C 1.430 176.209 174.700 0.132 0.000 1.077 269 T CA 0.028 62.214 62.100 0.143 0.000 1.095 269 T CB 0.751 69.660 68.868 0.067 0.000 0.987 269 T HN 0.239 nan 8.240 nan 0.000 0.546 270 E N 0.757 120.917 120.200 -0.067 0.000 2.401 270 E HA -0.120 4.229 4.350 -0.002 0.000 0.199 270 E C 2.107 178.559 176.600 -0.247 0.000 1.023 270 E CA 0.346 56.437 56.400 -0.515 0.000 0.859 270 E CB -0.218 29.093 29.700 -0.650 0.000 0.780 270 E HN 0.665 nan 8.360 nan 0.000 0.523 271 L N -1.820 119.346 121.223 -0.093 0.000 2.137 271 L HA -0.048 4.291 4.340 -0.002 0.000 0.213 271 L C 0.947 177.797 176.870 -0.033 0.000 1.085 271 L CA 1.482 56.292 54.840 -0.050 0.000 0.760 271 L CB -0.407 41.643 42.059 -0.014 0.000 0.893 271 L HN 0.139 nan 8.230 nan 0.000 0.434 272 G N -2.263 106.534 108.800 -0.006 0.000 2.353 272 G HA2 0.245 4.204 3.960 -0.002 0.000 0.424 272 G HA3 0.245 4.204 3.960 -0.002 0.000 0.424 272 G C 0.223 175.152 174.900 0.049 0.000 1.320 272 G CA 0.151 45.265 45.100 0.023 0.000 0.995 272 G HN 1.170 nan 8.290 nan 0.000 0.580 273 T N -3.908 110.675 114.554 0.047 0.000 13.029 273 T HA -0.355 3.993 4.350 -0.002 0.000 0.417 273 T C 0.967 175.703 174.700 0.060 0.000 1.457 273 T CA 2.421 64.548 62.100 0.044 0.000 2.388 273 T CB -1.362 67.527 68.868 0.035 0.000 2.799 273 T HN 1.921 nan 8.240 nan 0.000 0.661 274 Q N 0.072 119.923 119.800 0.085 0.000 2.409 274 Q HA 0.429 4.767 4.340 -0.002 0.000 0.345 274 Q C -1.067 175.017 176.000 0.139 0.000 0.847 274 Q CA -0.694 55.163 55.803 0.090 0.000 1.092 274 Q CB 0.514 29.290 28.738 0.063 0.000 1.377 274 Q HN 0.634 nan 8.270 nan 0.000 0.399 275 Y N 0.763 121.078 120.300 0.025 0.000 2.770 275 Y HA 0.076 4.625 4.550 -0.002 0.000 0.342 275 Y C -0.682 175.242 175.900 0.040 0.000 1.221 275 Y CA 0.688 58.807 58.100 0.031 0.000 1.560 275 Y CB 0.485 38.962 38.460 0.028 0.000 1.213 275 Y HN 0.063 nan 8.280 nan 0.000 0.525 276 S N 9.138 124.713 115.700 -0.208 0.000 2.158 276 S HA 0.257 4.725 4.470 -0.002 0.000 0.160 276 S C -2.799 171.636 174.600 -0.275 0.000 1.693 276 S CA -1.137 56.918 58.200 -0.242 0.000 1.251 276 S CB 0.580 63.750 63.200 -0.049 0.000 1.153 276 S HN 0.513 nan 8.310 nan 0.000 0.439 277 P HA 0.210 nan 4.420 nan 0.000 0.271 277 P C 1.027 178.285 177.300 -0.070 0.000 1.216 277 P CA -0.450 62.503 63.100 -0.245 0.000 0.776 277 P CB 0.899 32.425 31.700 -0.290 0.000 0.881 278 I N 2.676 123.259 120.570 0.021 0.000 2.335 278 I HA -0.192 3.977 4.170 -0.002 0.000 0.251 278 I C 2.061 178.247 176.117 0.116 0.000 1.129 278 I CA 1.973 63.319 61.300 0.077 0.000 1.402 278 I CB -0.551 37.515 38.000 0.109 0.000 1.069 278 I HN 0.485 nan 8.210 nan 0.000 0.424 279 G N -0.544 108.353 108.800 0.162 0.000 2.559 279 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.216 279 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.216 279 G C 1.441 176.478 174.900 0.229 0.000 1.126 279 G CA 0.462 45.747 45.100 0.308 0.000 0.778 279 G HN 0.480 nan 8.290 nan 0.000 0.543 280 E N -0.593 119.658 120.200 0.084 0.000 2.244 280 E HA 0.057 4.406 4.350 -0.002 0.000 0.196 280 E C 2.566 179.181 176.600 0.025 0.000 0.939 280 E CA -0.052 56.370 56.400 0.036 0.000 0.884 280 E CB 0.300 29.975 29.700 -0.040 0.000 0.850 280 E HN 0.242 nan 8.360 nan 0.000 0.481 281 V N 1.589 121.515 119.914 0.020 0.000 2.343 281 V HA -0.127 3.991 4.120 -0.002 0.000 0.247 281 V C 1.203 177.309 176.094 0.019 0.000 1.051 281 V CA 0.943 63.255 62.300 0.021 0.000 1.036 281 V CB -0.147 31.694 31.823 0.030 0.000 0.654 281 V HN 0.010 nan 8.190 nan 0.000 0.451 282 V N 3.337 123.274 119.914 0.038 0.000 2.415 282 V HA 0.287 4.406 4.120 -0.002 0.000 0.267 282 V C 0.031 176.132 176.094 0.010 0.000 1.042 282 V CA 0.106 62.418 62.300 0.021 0.000 1.000 282 V CB -0.169 31.673 31.823 0.031 0.000 1.015 282 V HN 0.910 nan 8.190 nan 0.000 0.478 283 N N 2.391 121.082 118.700 -0.015 0.000 2.972 283 N HA 0.348 5.087 4.740 -0.002 0.000 0.262 283 N C 0.311 175.791 175.510 -0.050 0.000 1.478 283 N CA -0.930 52.105 53.050 -0.025 0.000 0.841 283 N CB 1.067 39.543 38.487 -0.018 0.000 1.512 283 N HN 0.150 nan 8.380 nan 0.000 0.548 284 E N 0.200 120.362 120.200 -0.063 0.000 2.085 284 E HA -0.136 4.213 4.350 -0.002 0.000 0.194 284 E C 0.920 177.457 176.600 -0.106 0.000 0.994 284 E CA 1.696 58.048 56.400 -0.079 0.000 0.801 284 E CB -0.098 29.554 29.700 -0.080 0.000 0.743 284 E HN 0.542 nan 8.360 nan 0.000 0.453 285 K N 0.275 120.574 120.400 -0.169 0.000 2.057 285 K HA -0.080 4.239 4.320 -0.002 0.000 0.206 285 K C 2.380 178.949 176.600 -0.051 0.000 1.050 285 K CA 1.480 57.615 56.287 -0.253 0.000 0.935 285 K CB -0.113 32.143 32.500 -0.407 0.000 0.715 285 K HN 0.161 nan 8.250 nan 0.000 0.439 286 S N 0.876 116.544 115.700 -0.054 0.000 2.406 286 S HA -0.048 4.421 4.470 -0.002 0.000 0.228 286 S C 1.987 176.567 174.600 -0.033 0.000 1.020 286 S CA 0.510 58.687 58.200 -0.038 0.000 0.965 286 S CB -0.225 62.947 63.200 -0.047 0.000 0.798 286 S HN 0.040 nan 8.310 nan 0.000 0.488 287 I N 2.014 122.562 120.570 -0.037 0.000 2.179 287 I HA -0.090 4.079 4.170 -0.002 0.000 0.242 287 I C 2.562 178.650 176.117 -0.048 0.000 1.088 287 I CA 0.833 62.110 61.300 -0.038 0.000 1.357 287 I CB -1.440 36.533 38.000 -0.044 0.000 1.051 287 I HN 0.214 nan 8.210 nan 0.000 0.409 288 V N 1.574 121.466 119.914 -0.037 0.000 2.287 288 V HA -0.302 3.817 4.120 -0.002 0.000 0.248 288 V C 2.264 178.351 176.094 -0.012 0.000 1.053 288 V CA 1.901 64.184 62.300 -0.028 0.000 1.027 288 V CB -0.893 30.965 31.823 0.059 0.000 0.646 288 V HN 0.409 nan 8.190 nan 0.000 0.447 289 N N 0.858 119.576 118.700 0.030 0.000 2.094 289 N HA -0.146 4.593 4.740 -0.002 0.000 0.191 289 N C 1.853 177.353 175.510 -0.018 0.000 1.023 289 N CA 1.711 54.765 53.050 0.006 0.000 0.857 289 N CB -0.849 37.641 38.487 0.004 0.000 1.013 289 N HN 0.528 nan 8.380 nan 0.000 0.426 290 G N 0.758 109.545 108.800 -0.022 0.000 2.418 290 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.217 290 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.217 290 G C 1.634 176.539 174.900 0.009 0.000 1.158 290 G CA 0.422 45.517 45.100 -0.010 0.000 0.771 290 G HN 0.284 nan 8.290 nan 0.000 0.545 291 I N 0.990 121.546 120.570 -0.024 0.000 2.202 291 I HA -0.161 4.008 4.170 -0.002 0.000 0.242 291 I C 2.970 179.082 176.117 -0.008 0.000 1.091 291 I CA 1.243 62.523 61.300 -0.033 0.000 1.368 291 I CB -0.346 37.493 38.000 -0.269 0.000 1.058 291 I HN 0.184 nan 8.210 nan 0.000 0.410 292 V N -0.076 119.816 119.914 -0.035 0.000 2.427 292 V HA -0.162 3.957 4.120 -0.002 0.000 0.248 292 V C 2.524 178.620 176.094 0.003 0.000 1.051 292 V CA 1.701 63.984 62.300 -0.029 0.000 1.048 292 V CB -0.966 30.822 31.823 -0.059 0.000 0.666 292 V HN 0.311 nan 8.190 nan 0.000 0.456 293 A N 0.640 123.468 122.820 0.013 0.000 1.898 293 A HA -0.017 4.301 4.320 -0.002 0.000 0.216 293 A C 2.317 179.928 177.584 0.046 0.000 1.181 293 A CA 1.814 53.874 52.037 0.038 0.000 0.620 293 A CB -0.699 18.325 19.000 0.041 0.000 0.819 293 A HN 0.558 nan 8.150 nan 0.000 0.442 294 L N -0.268 120.985 121.223 0.050 0.000 2.042 294 L HA -0.167 4.172 4.340 -0.002 0.000 0.210 294 L C 2.272 179.174 176.870 0.053 0.000 1.076 294 L CA 2.007 56.884 54.840 0.061 0.000 0.749 294 L CB -0.790 41.333 42.059 0.107 0.000 0.893 294 L HN 0.456 nan 8.230 nan 0.000 0.432 295 L N -0.237 121.020 121.223 0.057 0.000 2.072 295 L HA -0.088 4.251 4.340 -0.002 0.000 0.205 295 L C 2.775 179.668 176.870 0.038 0.000 1.079 295 L CA 1.054 55.922 54.840 0.045 0.000 0.752 295 L CB -0.679 41.404 42.059 0.041 0.000 0.906 295 L HN 0.264 nan 8.230 nan 0.000 0.436 296 A N -0.308 122.537 122.820 0.042 0.000 2.067 296 A HA -0.149 4.170 4.320 -0.002 0.000 0.219 296 A C 2.207 179.843 177.584 0.088 0.000 1.158 296 A CA 1.879 53.954 52.037 0.064 0.000 0.661 296 A CB -0.737 18.300 19.000 0.061 0.000 0.801 296 A HN 0.512 nan 8.150 nan 0.000 0.452 297 T N -4.714 109.871 114.554 0.053 0.000 3.069 297 T HA 0.409 4.757 4.350 -0.002 0.000 0.252 297 T C 1.204 175.887 174.700 -0.028 0.000 1.053 297 T CA 0.912 63.018 62.100 0.010 0.000 0.964 297 T CB -0.027 68.813 68.868 -0.046 0.000 1.005 297 T HN 1.623 nan 8.240 nan 0.000 0.532 298 G N 1.079 109.875 108.800 -0.008 0.000 2.295 298 G HA2 -0.021 3.938 3.960 -0.002 0.000 0.287 298 G HA3 -0.021 3.938 3.960 -0.002 0.000 0.287 298 G C 0.416 175.288 174.900 -0.047 0.000 1.055 298 G CA -0.198 44.883 45.100 -0.032 0.000 0.922 298 G HN 0.984 nan 8.290 nan 0.000 0.503 299 G N -0.632 108.151 108.800 -0.028 0.000 2.616 299 G HA2 0.551 4.510 3.960 -0.002 0.000 0.268 299 G HA3 0.551 4.510 3.960 -0.002 0.000 0.268 299 G C 0.657 175.540 174.900 -0.029 0.000 1.213 299 G CA 0.678 45.763 45.100 -0.025 0.000 0.926 299 G HN 1.243 nan 8.290 nan 0.000 0.523 300 S N -1.429 114.260 115.700 -0.019 0.000 2.560 300 S HA 0.126 4.594 4.470 -0.002 0.000 0.284 300 S C 1.954 176.527 174.600 -0.044 0.000 1.327 300 S CA 0.359 58.543 58.200 -0.026 0.000 1.055 300 S CB 0.462 63.664 63.200 0.002 0.000 0.868 300 S HN 0.873 nan 8.310 nan 0.000 0.506 301 T N 2.634 117.141 114.554 -0.078 0.000 3.072 301 T HA -0.021 4.328 4.350 -0.002 0.000 0.266 301 T C 1.350 176.013 174.700 -0.062 0.000 1.127 301 T CA 0.658 62.681 62.100 -0.129 0.000 1.107 301 T CB -0.344 68.389 68.868 -0.226 0.000 0.910 301 T HN 0.596 nan 8.240 nan 0.000 0.513 302 N N 1.458 120.135 118.700 -0.039 0.000 2.166 302 N HA 0.048 4.787 4.740 -0.002 0.000 0.186 302 N C 1.529 176.898 175.510 -0.234 0.000 1.019 302 N CA 0.692 53.682 53.050 -0.100 0.000 0.856 302 N CB -0.497 37.971 38.487 -0.032 0.000 0.993 302 N HN 0.330 nan 8.380 nan 0.000 0.426 303 L N 1.140 122.323 121.223 -0.068 0.000 2.362 303 L HA -0.053 4.286 4.340 -0.002 0.000 0.219 303 L C 1.360 178.229 176.870 -0.002 0.000 1.134 303 L CA 0.620 55.470 54.840 0.017 0.000 0.807 303 L CB -0.741 41.371 42.059 0.088 0.000 0.927 303 L HN 0.237 nan 8.230 nan 0.000 0.447 307 I N 1.125 121.825 120.570 0.218 0.000 2.226 307 I HA -0.186 3.982 4.170 -0.002 0.000 0.245 307 I C 2.263 178.483 176.117 0.173 0.000 1.100 307 I CA 1.390 62.809 61.300 0.197 0.000 1.374 307 I CB -0.080 38.091 38.000 0.285 0.000 1.057 307 I HN -0.019 nan 8.210 nan 0.000 0.413 308 V N 0.933 120.968 119.914 0.203 0.000 2.427 308 V HA -0.248 3.870 4.120 -0.002 0.000 0.248 308 V C 2.658 178.799 176.094 0.078 0.000 1.051 308 V CA 1.906 64.295 62.300 0.149 0.000 1.048 308 V CB -0.877 31.038 31.823 0.153 0.000 0.666 308 V HN 0.479 nan 8.190 nan 0.000 0.456 309 A N -0.085 122.788 122.820 0.088 0.000 1.898 309 A HA -0.028 4.290 4.320 -0.002 0.000 0.216 309 A C 2.411 180.026 177.584 0.052 0.000 1.181 309 A CA 1.846 53.925 52.037 0.070 0.000 0.620 309 A CB -0.673 18.390 19.000 0.105 0.000 0.819 309 A HN 0.535 nan 8.150 nan 0.000 0.442 310 A N -0.015 122.845 122.820 0.067 0.000 1.873 310 A HA 0.180 4.499 4.320 -0.002 0.000 0.215 310 A C 2.516 180.096 177.584 -0.007 0.000 1.186 310 A CA 2.055 54.116 52.037 0.040 0.000 0.616 310 A CB -1.057 17.975 19.000 0.053 0.000 0.823 310 A HN 1.024 nan 8.150 nan 0.000 0.442 311 A N -0.416 122.403 122.820 -0.003 0.000 1.902 311 A HA -0.159 4.160 4.320 -0.002 0.000 0.217 311 A C 2.182 179.713 177.584 -0.087 0.000 1.181 311 A CA 2.129 54.139 52.037 -0.044 0.000 0.623 311 A CB -0.450 18.540 19.000 -0.017 0.000 0.818 311 A HN 0.425 nan 8.150 nan 0.000 0.443 312 R N 0.191 120.658 120.500 -0.054 0.000 2.105 312 R HA -0.058 4.281 4.340 -0.002 0.000 0.239 312 R C 2.141 178.374 176.300 -0.111 0.000 1.135 312 R CA 1.810 57.870 56.100 -0.066 0.000 0.967 312 R CB -0.921 29.361 30.300 -0.030 0.000 0.861 312 R HN 0.423 nan 8.270 nan 0.000 0.442 313 A N -0.243 122.514 122.820 -0.104 0.000 1.978 313 A HA -0.041 4.277 4.320 -0.002 0.000 0.220 313 A C 1.977 179.329 177.584 -0.387 0.000 1.170 313 A CA 1.711 53.670 52.037 -0.130 0.000 0.636 313 A CB -0.670 18.303 19.000 -0.045 0.000 0.810 313 A HN 0.414 nan 8.150 nan 0.000 0.448 314 A N -1.841 120.677 122.820 -0.503 0.000 2.415 314 A HA 0.456 4.775 4.320 -0.002 0.000 0.248 314 A C 1.579 178.681 177.584 -0.803 0.000 1.299 314 A CA 0.952 52.372 52.037 -1.028 0.000 0.899 314 A CB -1.005 17.692 19.000 -0.506 0.000 0.997 314 A HN 1.858 nan 8.150 nan 0.000 0.506 315 G N -0.652 107.883 108.800 -0.443 0.000 2.148 315 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.254 315 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.254 315 G C 0.002 174.835 174.900 -0.112 0.000 0.981 315 G CA 0.467 45.457 45.100 -0.185 0.000 0.670 315 G HN 0.518 nan 8.290 nan 0.000 0.528 316 I N 1.073 121.568 120.570 -0.125 0.000 2.339 316 I HA 0.472 4.641 4.170 -0.002 0.000 0.290 316 I C 0.451 176.536 176.117 -0.053 0.000 0.994 316 I CA -0.957 60.297 61.300 -0.077 0.000 1.191 316 I CB 1.454 39.407 38.000 -0.078 0.000 1.343 316 I HN -0.025 nan 8.210 nan 0.000 0.458 317 I N 7.162 127.710 120.570 -0.037 0.000 2.307 317 I HA 0.380 4.549 4.170 -0.002 0.000 0.289 317 I C -0.589 175.519 176.117 -0.016 0.000 1.021 317 I CA -0.655 60.630 61.300 -0.025 0.000 1.224 317 I CB 1.191 39.176 38.000 -0.024 0.000 1.376 317 I HN 0.199 nan 8.210 nan 0.000 0.470 318 V N 7.034 126.950 119.914 0.002 0.000 2.604 318 V HA 0.426 4.545 4.120 -0.002 0.000 0.305 318 V C -0.120 176.020 176.094 0.076 0.000 1.043 318 V CA -0.641 61.674 62.300 0.025 0.000 0.888 318 V CB 1.861 33.695 31.823 0.018 0.000 0.995 318 V HN 0.904 nan 8.190 nan 0.000 0.429 319 N N 1.354 120.112 118.700 0.097 0.000 2.890 319 N HA 0.327 5.066 4.740 -0.002 0.000 0.317 319 N C -0.059 175.667 175.510 0.361 0.000 1.355 319 N CA -0.838 52.273 53.050 0.102 0.000 0.803 319 N CB 1.304 39.791 38.487 -0.000 0.000 1.465 319 N HN 0.429 nan 8.380 nan 0.000 0.591 320 W N 0.588 122.003 121.300 0.192 0.000 2.465 320 W HA -0.014 4.644 4.660 -0.004 0.000 0.268 320 W C 1.298 177.919 176.519 0.169 0.000 1.242 320 W CA 0.336 57.800 57.345 0.198 0.000 1.248 320 W CB -0.992 28.509 29.460 0.068 0.000 1.118 320 W HN 0.604 nan 8.180 nan 0.000 0.587 321 D N 0.172 120.760 120.400 0.314 0.000 2.144 321 D HA -0.163 4.476 4.640 -0.002 0.000 0.199 321 D C 1.313 177.703 176.300 0.151 0.000 0.984 321 D CA 1.479 55.592 54.000 0.189 0.000 0.834 321 D CB -0.272 40.600 40.800 0.121 0.000 0.955 321 D HN 0.170 nan 8.370 nan 0.000 0.465 322 D N 0.503 120.988 120.400 0.142 0.000 2.097 322 D HA -0.130 4.509 4.640 -0.002 0.000 0.195 322 D C 2.053 178.354 176.300 0.001 0.000 0.989 322 D CA 0.679 54.693 54.000 0.023 0.000 0.827 322 D CB -0.627 40.127 40.800 -0.077 0.000 0.966 322 D HN 0.233 nan 8.370 nan 0.000 0.456 323 F N 1.102 121.109 119.950 0.095 0.000 2.102 323 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 323 F C 2.866 178.679 175.800 0.021 0.000 1.105 323 F CA 1.119 59.156 58.000 0.061 0.000 1.239 323 F CB -0.537 38.513 39.000 0.083 0.000 0.991 323 F HN -0.116 nan 8.300 nan 0.000 0.474 324 S N -0.428 115.405 115.700 0.221 0.000 2.368 324 S HA -0.182 4.287 4.470 -0.002 0.000 0.224 324 S C 1.919 176.559 174.600 0.067 0.000 1.029 324 S CA 1.591 59.855 58.200 0.106 0.000 0.988 324 S CB -0.277 62.977 63.200 0.090 0.000 0.838 324 S HN 0.442 nan 8.310 nan 0.000 0.462 325 E N 0.327 120.566 120.200 0.065 0.000 2.158 325 E HA 0.047 4.396 4.350 -0.002 0.000 0.191 325 E C 2.067 178.674 176.600 0.011 0.000 0.982 325 E CA 0.699 57.121 56.400 0.037 0.000 0.823 325 E CB -0.111 29.613 29.700 0.039 0.000 0.766 325 E HN 0.451 nan 8.360 nan 0.000 0.468 326 L N 0.513 121.734 121.223 -0.004 0.000 2.056 326 L HA -0.167 4.172 4.340 -0.002 0.000 0.207 326 L C 2.639 179.487 176.870 -0.036 0.000 1.078 326 L CA 0.864 55.678 54.840 -0.042 0.000 0.749 326 L CB -0.374 41.638 42.059 -0.079 0.000 0.901 326 L HN 0.140 nan 8.230 nan 0.000 0.433 327 S N -0.064 115.639 115.700 0.005 0.000 2.374 327 S HA -0.246 4.223 4.470 -0.002 0.000 0.227 327 S C 1.618 176.213 174.600 -0.009 0.000 1.037 327 S CA 1.856 60.061 58.200 0.009 0.000 1.024 327 S CB -0.286 62.932 63.200 0.030 0.000 0.861 327 S HN 0.410 nan 8.310 nan 0.000 0.456 328 D N 0.873 121.270 120.400 -0.005 0.000 2.221 328 D HA 0.003 4.641 4.640 -0.002 0.000 0.204 328 D C 1.781 178.068 176.300 -0.022 0.000 0.982 328 D CA 1.234 55.233 54.000 -0.003 0.000 0.857 328 D CB -0.305 40.502 40.800 0.013 0.000 0.934 328 D HN 0.541 nan 8.370 nan 0.000 0.475 329 A N -0.216 122.560 122.820 -0.074 0.000 2.197 329 A HA 0.185 4.503 4.320 -0.002 0.000 0.210 329 A C 0.822 178.279 177.584 -0.212 0.000 1.180 329 A CA -0.104 51.818 52.037 -0.192 0.000 0.846 329 A CB 0.706 19.475 19.000 -0.384 0.000 0.884 329 A HN 0.029 nan 8.150 nan 0.000 0.487 330 V N 3.531 123.372 119.914 -0.122 0.000 2.364 330 V HA 0.274 4.393 4.120 -0.002 0.000 0.272 330 V C -2.351 173.724 176.094 -0.033 0.000 1.036 330 V CA -1.934 60.313 62.300 -0.089 0.000 0.880 330 V CB 1.133 32.919 31.823 -0.063 0.000 0.991 330 V HN 0.267 nan 8.190 nan 0.000 0.460 331 P HA 0.140 nan 4.420 nan 0.000 0.272 331 P C -0.569 176.763 177.300 0.053 0.000 1.230 331 P CA -0.502 62.609 63.100 0.018 0.000 0.788 331 P CB 1.189 32.898 31.700 0.015 0.000 0.949 332 L N 2.868 124.146 121.223 0.092 0.000 2.313 332 L HA 0.129 4.468 4.340 -0.002 0.000 0.282 332 L C 0.542 177.561 176.870 0.249 0.000 1.092 332 L CA 0.283 55.215 54.840 0.154 0.000 0.831 332 L CB -0.107 42.048 42.059 0.161 0.000 1.159 332 L HN 0.195 nan 8.230 nan 0.000 0.442 333 L N 5.080 126.465 121.223 0.271 0.000 2.781 333 L HA 0.570 4.909 4.340 -0.002 0.000 0.245 333 L C 0.264 177.434 176.870 0.500 0.000 1.118 333 L CA 0.447 55.468 54.840 0.302 0.000 0.918 333 L CB -0.092 42.093 42.059 0.210 0.000 1.246 333 L HN 0.723 nan 8.230 nan 0.000 0.526 334 A N -0.247 122.842 122.820 0.448 0.000 2.422 334 A HA 0.738 5.057 4.320 -0.002 0.000 0.302 334 A C -0.438 177.180 177.584 0.057 0.000 1.041 334 A CA -0.544 51.717 52.037 0.372 0.000 0.708 334 A CB 1.228 20.378 19.000 0.250 0.000 1.257 334 A HN 0.069 nan 8.150 nan 0.000 0.414 335 R N 1.811 122.269 120.500 -0.071 0.000 2.287 335 R HA 0.508 4.846 4.340 -0.002 0.000 0.316 335 R C -1.194 175.042 176.300 -0.106 0.000 1.050 335 R CA -0.225 55.726 56.100 -0.247 0.000 0.983 335 R CB 1.348 31.361 30.300 -0.478 0.000 1.140 335 R HN 0.513 nan 8.270 nan 0.000 0.528 336 V N 3.565 123.415 119.914 -0.107 0.000 2.630 336 V HA 0.066 4.185 4.120 -0.002 0.000 0.305 336 V C 1.122 177.199 176.094 -0.028 0.000 1.046 336 V CA -0.735 61.534 62.300 -0.052 0.000 0.934 336 V CB 1.306 33.057 31.823 -0.121 0.000 1.003 336 V HN 0.714 nan 8.190 nan 0.000 0.451 337 Y N 5.640 125.901 120.300 -0.064 0.000 2.066 337 Y HA -0.345 4.204 4.550 -0.002 0.000 0.235 337 Y C -0.808 175.025 175.900 -0.111 0.000 1.262 337 Y CA 3.370 61.422 58.100 -0.081 0.000 1.032 337 Y CB -1.921 36.505 38.460 -0.057 0.000 0.832 337 Y HN 0.604 nan 8.280 nan 0.000 0.520 338 P HA -0.174 nan 4.420 nan 0.000 0.217 338 P C -0.264 176.761 177.300 -0.460 0.000 1.148 338 P CA 2.279 64.978 63.100 -0.668 0.000 0.834 338 P CB -0.115 31.411 31.700 -0.290 0.000 0.783 339 N N 0.198 118.717 118.700 -0.303 0.000 3.091 339 N HA 0.405 5.144 4.740 -0.002 0.000 0.255 339 N C 0.720 176.106 175.510 -0.208 0.000 1.204 339 N CA 0.448 53.357 53.050 -0.235 0.000 0.990 339 N CB 0.753 39.124 38.487 -0.193 0.000 1.260 339 N HN 0.121 nan 8.380 nan 0.000 0.502 340 G N 0.218 108.895 108.800 -0.205 0.000 2.362 340 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.517 340 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.517 340 G C -0.197 174.666 174.900 -0.062 0.000 1.256 340 G CA -0.718 44.334 45.100 -0.081 0.000 1.027 340 G HN 0.531 nan 8.290 nan 0.000 0.491 341 H N 0.101 119.181 119.070 0.016 0.000 2.729 341 H HA 0.429 4.983 4.556 -0.002 0.000 0.263 341 H C 1.840 177.242 175.328 0.124 0.000 0.961 341 H CA 0.697 56.812 56.048 0.113 0.000 1.217 341 H CB 0.712 30.504 29.762 0.050 0.000 1.447 341 H HN 0.807 nan 8.280 nan 0.000 0.496 342 A N 2.635 125.536 122.820 0.135 0.000 2.492 342 A HA 0.091 4.409 4.320 -0.002 0.000 0.254 342 A C 0.072 177.751 177.584 0.158 0.000 1.091 342 A CA -0.398 51.676 52.037 0.063 0.000 0.768 342 A CB -0.211 18.609 19.000 -0.300 0.000 1.028 342 A HN 0.421 nan 8.150 nan 0.000 0.498 343 D N 1.819 122.347 120.400 0.212 0.000 2.447 343 D HA 0.197 4.836 4.640 -0.002 0.000 0.265 343 D C 0.955 177.409 176.300 0.256 0.000 1.250 343 D CA -0.559 53.554 54.000 0.188 0.000 1.046 343 D CB 0.259 41.127 40.800 0.114 0.000 1.095 343 D HN 0.242 nan 8.370 nan 0.000 0.555 344 I N -0.084 120.632 120.570 0.244 0.000 2.226 344 I HA -0.235 3.934 4.170 -0.002 0.000 0.245 344 I C 1.550 177.932 176.117 0.442 0.000 1.100 344 I CA 1.347 62.864 61.300 0.361 0.000 1.374 344 I CB -0.459 37.739 38.000 0.330 0.000 1.057 344 I HN 0.310 nan 8.210 nan 0.000 0.413 345 N N -0.440 118.455 118.700 0.325 0.000 2.166 345 N HA -0.245 4.494 4.740 -0.002 0.000 0.186 345 N C 1.925 177.602 175.510 0.279 0.000 1.019 345 N CA 1.238 54.459 53.050 0.284 0.000 0.856 345 N CB -0.575 38.021 38.487 0.181 0.000 0.993 345 N HN 0.489 nan 8.380 nan 0.000 0.426 346 H N 0.730 119.907 119.070 0.179 0.000 2.357 346 H HA -0.081 4.474 4.556 -0.002 0.000 0.301 346 H C 1.881 177.307 175.328 0.163 0.000 1.082 346 H CA 0.965 57.103 56.048 0.151 0.000 1.342 346 H CB -0.576 29.280 29.762 0.157 0.000 1.389 346 H HN 0.165 nan 8.280 nan 0.000 0.511 347 F N 1.135 121.227 119.950 0.237 0.000 2.095 347 F HA -0.231 4.294 4.527 -0.003 0.000 0.298 347 F C 2.858 178.693 175.800 0.059 0.000 1.104 347 F CA 2.238 60.314 58.000 0.127 0.000 1.232 347 F CB -0.734 38.340 39.000 0.123 0.000 0.987 347 F HN 0.316 nan 8.300 nan 0.000 0.475 348 H N 0.014 118.966 119.070 -0.197 0.000 2.357 348 H HA -0.065 4.490 4.556 -0.002 0.000 0.301 348 H C 2.130 177.296 175.328 -0.271 0.000 1.082 348 H CA 1.274 57.050 56.048 -0.453 0.000 1.342 348 H CB -0.202 29.332 29.762 -0.380 0.000 1.389 348 H HN 0.372 nan 8.280 nan 0.000 0.511 349 A N 1.002 123.722 122.820 -0.166 0.000 2.019 349 A HA -0.024 4.294 4.320 -0.002 0.000 0.219 349 A C 2.581 180.049 177.584 -0.193 0.000 1.164 349 A CA 1.317 53.246 52.037 -0.180 0.000 0.644 349 A CB -0.779 18.175 19.000 -0.077 0.000 0.805 349 A HN 0.570 nan 8.150 nan 0.000 0.449 350 A N -2.052 120.674 122.820 -0.156 0.000 2.014 350 A HA 0.361 4.680 4.320 -0.002 0.000 0.218 350 A C 1.835 179.222 177.584 -0.328 0.000 1.163 350 A CA 1.975 53.902 52.037 -0.183 0.000 0.652 350 A CB -0.394 18.560 19.000 -0.076 0.000 0.808 350 A HN 1.443 nan 8.150 nan 0.000 0.449 351 G N -3.453 105.107 108.800 -0.399 0.000 3.758 351 G HA2 0.460 4.418 3.960 -0.002 0.000 0.206 351 G HA3 0.460 4.418 3.960 -0.002 0.000 0.206 351 G C 1.155 175.835 174.900 -0.367 0.000 0.946 351 G CA 0.746 45.632 45.100 -0.356 0.000 0.885 351 G HN 2.024 nan 8.290 nan 0.000 0.392 355 F N 1.119 121.056 119.950 -0.021 0.000 2.098 355 F HA 0.115 4.641 4.527 -0.001 0.000 0.294 355 F C 1.768 177.581 175.800 0.021 0.000 1.107 355 F CA 2.062 60.051 58.000 -0.019 0.000 1.234 355 F CB -0.192 38.768 39.000 -0.066 0.000 1.002 355 F HN 0.204 nan 8.300 nan 0.000 0.472 356 L N 0.431 121.703 121.223 0.081 0.000 2.012 356 L HA -0.228 4.110 4.340 -0.002 0.000 0.210 356 L C 2.250 179.094 176.870 -0.044 0.000 1.073 356 L CA 1.874 56.738 54.840 0.039 0.000 0.748 356 L CB -0.573 41.640 42.059 0.257 0.000 0.891 356 L HN 0.248 nan 8.230 nan 0.000 0.431 357 I N -0.755 119.828 120.570 0.022 0.000 2.315 357 I HA -0.282 3.887 4.170 -0.002 0.000 0.248 357 I C 2.547 178.640 176.117 -0.041 0.000 1.117 357 I CA 1.208 62.520 61.300 0.020 0.000 1.404 357 I CB -0.352 37.705 38.000 0.095 0.000 1.071 357 I HN 0.304 nan 8.210 nan 0.000 0.419 358 K N 0.972 121.321 120.400 -0.085 0.000 2.026 358 K HA -0.207 4.112 4.320 -0.002 0.000 0.208 358 K C 2.020 178.513 176.600 -0.179 0.000 1.048 358 K CA 1.369 57.588 56.287 -0.115 0.000 0.929 358 K CB 0.041 32.474 32.500 -0.113 0.000 0.713 358 K HN 0.164 nan 8.250 nan 0.000 0.439 359 E N 0.979 120.985 120.200 -0.323 0.000 2.058 359 E HA -0.205 4.144 4.350 -0.002 0.000 0.194 359 E C 2.182 178.687 176.600 -0.158 0.000 0.997 359 E CA 1.246 57.462 56.400 -0.305 0.000 0.801 359 E CB -0.257 29.165 29.700 -0.464 0.000 0.746 359 E HN 0.373 nan 8.360 nan 0.000 0.450 360 L N 0.231 121.380 121.223 -0.123 0.000 2.056 360 L HA -0.188 4.151 4.340 -0.002 0.000 0.207 360 L C 2.508 179.337 176.870 -0.067 0.000 1.078 360 L CA 0.399 55.193 54.840 -0.077 0.000 0.749 360 L CB -0.430 41.597 42.059 -0.054 0.000 0.901 360 L HN 0.129 nan 8.230 nan 0.000 0.433 361 L N 0.093 121.279 121.223 -0.062 0.000 1.990 361 L HA -0.282 4.057 4.340 -0.002 0.000 0.213 361 L C 2.284 179.127 176.870 -0.044 0.000 1.072 361 L CA 1.871 56.683 54.840 -0.048 0.000 0.755 361 L CB -1.140 40.897 42.059 -0.036 0.000 0.889 361 L HN 0.270 nan 8.230 nan 0.000 0.432 362 D N -0.665 119.700 120.400 -0.058 0.000 2.149 362 D HA -0.152 4.487 4.640 -0.002 0.000 0.198 362 D C 2.034 178.314 176.300 -0.033 0.000 0.990 362 D CA 1.471 55.440 54.000 -0.051 0.000 0.839 362 D CB -0.041 40.719 40.800 -0.067 0.000 0.948 362 D HN 0.384 nan 8.370 nan 0.000 0.460 363 A N -0.447 122.354 122.820 -0.031 0.000 2.208 363 A HA 0.385 4.704 4.320 -0.002 0.000 0.209 363 A C 1.726 179.329 177.584 0.033 0.000 1.161 363 A CA 1.068 53.106 52.037 0.002 0.000 0.782 363 A CB -0.180 18.817 19.000 -0.005 0.000 0.816 363 A HN 0.255 nan 8.150 nan 0.000 0.477 364 G N -1.109 107.695 108.800 0.007 0.000 2.160 364 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.244 364 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.244 364 G C 0.525 175.408 174.900 -0.030 0.000 1.022 364 G CA 0.489 45.594 45.100 0.009 0.000 0.741 364 G HN 0.468 nan 8.290 nan 0.000 0.508 365 L N -1.272 119.911 121.223 -0.067 0.000 2.513 365 L HA 0.447 4.786 4.340 -0.002 0.000 0.222 365 L C 1.178 177.956 176.870 -0.154 0.000 1.096 365 L CA 0.317 55.086 54.840 -0.118 0.000 0.857 365 L CB 0.193 42.186 42.059 -0.110 0.000 1.026 365 L HN 0.219 nan 8.230 nan 0.000 0.469 366 L N -0.723 120.417 121.223 -0.138 0.000 2.346 366 L HA 0.392 4.731 4.340 -0.002 0.000 0.276 366 L C -0.279 176.498 176.870 -0.154 0.000 1.006 366 L CA -0.836 53.926 54.840 -0.131 0.000 0.817 366 L CB 1.600 43.623 42.059 -0.060 0.000 1.272 366 L HN 0.008 nan 8.230 nan 0.000 0.421 367 H N 2.993 122.044 119.070 -0.030 0.000 2.975 367 H HA -0.014 4.539 4.556 -0.005 0.000 0.303 367 H C 0.420 175.717 175.328 -0.052 0.000 1.023 367 H CA 0.372 56.403 56.048 -0.030 0.000 1.473 367 H CB 1.465 31.208 29.762 -0.031 0.000 1.498 367 H HN 0.691 nan 8.280 nan 0.000 0.549 368 E N 2.334 122.566 120.200 0.054 0.000 2.190 368 E HA -0.097 4.251 4.350 -0.002 0.000 0.191 368 E C -0.088 176.445 176.600 -0.111 0.000 0.978 368 E CA 0.082 56.468 56.400 -0.024 0.000 0.839 368 E CB 0.376 30.067 29.700 -0.014 0.000 0.787 368 E HN 0.663 nan 8.360 nan 0.000 0.473 369 D N 1.721 122.092 120.400 -0.049 0.000 2.688 369 D HA 0.023 4.661 4.640 -0.002 0.000 0.228 369 D C 0.039 176.262 176.300 -0.128 0.000 1.116 369 D CA -0.143 53.800 54.000 -0.096 0.000 1.023 369 D CB 0.143 41.012 40.800 0.115 0.000 1.100 369 D HN -0.068 nan 8.370 nan 0.000 0.487 370 V N -1.637 118.078 119.914 -0.331 0.000 2.823 370 V HA 0.535 4.654 4.120 -0.002 0.000 0.312 370 V C -0.347 175.614 176.094 -0.221 0.000 1.072 370 V CA -1.305 60.896 62.300 -0.166 0.000 0.937 370 V CB 1.786 33.550 31.823 -0.097 0.000 1.013 370 V HN 0.100 nan 8.190 nan 0.000 0.430 371 N N 2.245 120.981 118.700 0.060 0.000 2.514 371 N HA 0.654 5.392 4.740 -0.002 0.000 0.277 371 N C -0.153 175.386 175.510 0.049 0.000 1.126 371 N CA 0.523 53.657 53.050 0.141 0.000 0.978 371 N CB 1.384 39.983 38.487 0.187 0.000 1.106 371 N HN 1.240 nan 8.380 nan 0.000 0.461 372 T N -1.222 113.375 114.554 0.071 0.000 2.907 372 T HA 0.306 4.654 4.350 -0.002 0.000 0.290 372 T C 1.263 176.028 174.700 0.108 0.000 1.066 372 T CA -0.373 61.781 62.100 0.090 0.000 1.012 372 T CB 0.501 69.483 68.868 0.190 0.000 1.184 372 T HN 0.235 nan 8.240 nan 0.000 0.522 373 V N -1.188 118.804 119.914 0.129 0.000 2.867 373 V HA 0.204 4.323 4.120 -0.002 0.000 0.260 373 V C 2.195 178.324 176.094 0.058 0.000 1.099 373 V CA 1.568 63.928 62.300 0.100 0.000 1.122 373 V CB -1.690 30.206 31.823 0.123 0.000 0.708 373 V HN 1.026 nan 8.190 nan 0.000 0.490 374 A N -0.502 122.349 122.820 0.052 0.000 2.308 374 A HA 0.668 4.987 4.320 -0.002 0.000 0.217 374 A C 1.212 178.752 177.584 -0.074 0.000 1.216 374 A CA 0.727 52.703 52.037 -0.102 0.000 0.864 374 A CB -0.398 18.418 19.000 -0.306 0.000 0.902 374 A HN 1.732 nan 8.150 nan 0.000 0.499 375 G N -1.741 107.072 108.800 0.021 0.000 2.371 375 G HA2 0.101 4.060 3.960 -0.002 0.000 0.663 375 G HA3 0.101 4.060 3.960 -0.002 0.000 0.663 375 G C -0.758 174.210 174.900 0.114 0.000 1.311 375 G CA -0.476 44.657 45.100 0.056 0.000 0.985 375 G HN 0.701 nan 8.290 nan 0.000 0.566 376 Y N 1.154 121.463 120.300 0.015 0.000 2.346 376 Y HA 0.475 5.023 4.550 -0.004 0.000 0.330 376 Y C 0.829 176.751 175.900 0.036 0.000 1.178 376 Y CA 1.382 59.498 58.100 0.026 0.000 1.331 376 Y CB 1.184 39.655 38.460 0.017 0.000 1.253 376 Y HN 2.451 nan 8.280 nan 0.000 0.529 377 G N 5.247 113.653 108.800 -0.658 0.000 3.409 377 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.686 377 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.686 377 G C -0.312 174.504 174.900 -0.140 0.000 1.017 377 G CA -0.292 44.559 45.100 -0.416 0.000 0.854 377 G HN 0.931 nan 8.290 nan 0.000 0.508 378 L N 1.965 123.120 121.223 -0.112 0.000 2.362 378 L HA 0.159 4.497 4.340 -0.002 0.000 0.219 378 L C 2.664 179.595 176.870 0.102 0.000 1.134 378 L CA 1.978 56.830 54.840 0.020 0.000 0.807 378 L CB -0.219 41.818 42.059 -0.037 0.000 0.927 378 L HN 0.651 nan 8.230 nan 0.000 0.447 379 R N -0.066 120.455 120.500 0.035 0.000 2.249 379 R HA -0.121 4.217 4.340 -0.002 0.000 0.230 379 R C 2.165 178.494 176.300 0.048 0.000 1.121 379 R CA 1.173 57.297 56.100 0.039 0.000 0.997 379 R CB -0.345 29.962 30.300 0.011 0.000 0.867 379 R HN 0.353 nan 8.270 nan 0.000 0.465 380 R N -1.677 118.848 120.500 0.041 0.000 2.193 380 R HA -0.135 4.204 4.340 -0.002 0.000 0.229 380 R C 0.987 177.199 176.300 -0.146 0.000 1.110 380 R CA 1.281 57.338 56.100 -0.071 0.000 0.988 380 R CB -0.159 30.055 30.300 -0.143 0.000 0.871 380 R HN 0.308 nan 8.270 nan 0.000 0.458 381 Y N -0.207 120.093 120.300 0.001 0.000 2.490 381 Y HA -0.018 4.531 4.550 -0.002 0.000 0.281 381 Y C 2.041 177.989 175.900 0.081 0.000 1.174 381 Y CA 0.774 58.905 58.100 0.052 0.000 1.295 381 Y CB 0.258 38.748 38.460 0.050 0.000 1.062 381 Y HN 0.075 nan 8.280 nan 0.000 0.522 382 T N -3.046 111.593 114.554 0.142 0.000 3.129 382 T HA 0.106 4.455 4.350 -0.002 0.000 0.251 382 T C 0.509 175.271 174.700 0.104 0.000 1.117 382 T CA -0.033 62.132 62.100 0.109 0.000 1.034 382 T CB 0.016 68.923 68.868 0.065 0.000 0.968 382 T HN 0.140 nan 8.240 nan 0.000 0.526 383 Q N 0.771 120.637 119.800 0.110 0.000 2.226 383 Q HA 0.492 4.830 4.340 -0.002 0.000 0.256 383 Q C -0.753 175.414 176.000 0.279 0.000 0.962 383 Q CA -0.542 55.361 55.803 0.168 0.000 0.887 383 Q CB 1.778 30.619 28.738 0.171 0.000 1.282 383 Q HN 0.511 nan 8.270 nan 0.000 0.449 384 E N 2.220 122.565 120.200 0.241 0.000 2.222 384 E HA 0.372 4.721 4.350 -0.002 0.000 0.267 384 E C -2.492 174.045 176.600 -0.106 0.000 0.884 384 E CA -2.118 54.372 56.400 0.150 0.000 0.764 384 E CB 2.069 31.816 29.700 0.079 0.000 1.169 384 E HN 0.296 nan 8.360 nan 0.000 0.413 385 P HA 0.148 nan 4.420 nan 0.000 0.275 385 P C -0.921 176.118 177.300 -0.436 0.000 1.227 385 P CA -0.316 62.244 63.100 -0.900 0.000 0.781 385 P CB 0.932 32.115 31.700 -0.860 0.000 0.906 386 K N 2.048 122.191 120.400 -0.429 0.000 2.502 386 K HA 0.428 4.747 4.320 -0.002 0.000 0.257 386 K C -1.101 175.371 176.600 -0.213 0.000 0.938 386 K CA -1.001 55.147 56.287 -0.231 0.000 0.819 386 K CB 2.285 34.694 32.500 -0.152 0.000 1.333 386 K HN 0.298 nan 8.250 nan 0.000 0.434 387 L N 3.668 124.808 121.223 -0.139 0.000 2.360 387 L HA 0.381 4.720 4.340 -0.002 0.000 0.265 387 L C -1.251 175.577 176.870 -0.070 0.000 1.066 387 L CA -0.246 54.531 54.840 -0.104 0.000 0.929 387 L CB 0.065 42.073 42.059 -0.084 0.000 1.306 387 L HN 0.417 nan 8.230 nan 0.000 0.434 388 L N 4.156 125.341 121.223 -0.063 0.000 2.272 388 L HA 0.427 4.765 4.340 -0.002 0.000 0.289 388 L C 0.124 176.977 176.870 -0.029 0.000 1.032 388 L CA -0.818 53.997 54.840 -0.043 0.000 0.810 388 L CB 1.013 43.047 42.059 -0.040 0.000 1.205 388 L HN 0.468 nan 8.230 nan 0.000 0.422 389 D N 3.495 123.881 120.400 -0.023 0.000 2.708 389 D HA -0.211 4.428 4.640 -0.002 0.000 0.236 389 D C 1.218 177.509 176.300 -0.016 0.000 1.146 389 D CA 1.381 55.372 54.000 -0.016 0.000 0.662 389 D CB -0.639 40.154 40.800 -0.011 0.000 1.059 389 D HN 1.141 nan 8.370 nan 0.000 0.428 390 G N 0.191 108.979 108.800 -0.021 0.000 2.184 390 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.264 390 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.264 390 G C 0.112 175.000 174.900 -0.021 0.000 0.975 390 G CA 0.678 45.766 45.100 -0.020 0.000 0.642 390 G HN 0.598 nan 8.290 nan 0.000 0.536 391 E N 0.159 120.345 120.200 -0.024 0.000 2.156 391 E HA 0.541 4.890 4.350 -0.002 0.000 0.279 391 E C -0.050 176.524 176.600 -0.044 0.000 0.965 391 E CA -1.101 55.287 56.400 -0.020 0.000 0.789 391 E CB 0.762 30.459 29.700 -0.006 0.000 1.098 391 E HN 0.272 nan 8.360 nan 0.000 0.397 392 L N 5.698 126.893 121.223 -0.047 0.000 2.433 392 L HA 0.251 4.590 4.340 -0.002 0.000 0.275 392 L C -0.832 175.986 176.870 -0.087 0.000 1.128 392 L CA 0.542 55.313 54.840 -0.116 0.000 0.875 392 L CB 0.054 42.050 42.059 -0.105 0.000 1.171 392 L HN 0.527 nan 8.230 nan 0.000 0.463 393 R N 4.587 124.987 120.500 -0.167 0.000 2.744 393 R HA 0.430 4.769 4.340 -0.002 0.000 0.279 393 R C -1.385 174.820 176.300 -0.159 0.000 0.977 393 R CA -0.778 55.295 56.100 -0.045 0.000 0.906 393 R CB 1.740 32.033 30.300 -0.012 0.000 1.197 393 R HN 0.570 nan 8.270 nan 0.000 0.463 394 W N 2.945 124.238 121.300 -0.011 0.000 2.391 394 W HA 0.392 5.051 4.660 -0.001 0.000 0.311 394 W C -0.108 176.401 176.519 -0.017 0.000 1.087 394 W CA -0.457 56.877 57.345 -0.017 0.000 1.209 394 W CB 1.928 31.369 29.460 -0.033 0.000 1.273 394 W HN 0.319 nan 8.180 nan 0.000 0.482 395 V N -0.112 119.878 119.914 0.128 0.000 3.046 395 V HA 0.464 4.583 4.120 -0.002 0.000 0.316 395 V C -0.255 175.881 176.094 0.070 0.000 1.104 395 V CA -1.077 61.263 62.300 0.067 0.000 1.006 395 V CB 1.616 33.439 31.823 -0.000 0.000 1.058 395 V HN 0.280 nan 8.190 nan 0.000 0.440 396 D N 1.987 122.408 120.400 0.036 0.000 2.458 396 D HA 0.458 5.097 4.640 -0.002 0.000 0.243 396 D C 0.622 176.930 176.300 0.013 0.000 1.146 396 D CA 1.343 55.361 54.000 0.029 0.000 0.877 396 D CB 1.147 41.953 40.800 0.010 0.000 1.176 396 D HN 1.061 nan 8.370 nan 0.000 0.461 397 G N 2.406 111.229 108.800 0.037 0.000 2.616 397 G HA2 0.404 4.362 3.960 -0.002 0.000 0.268 397 G HA3 0.404 4.362 3.960 -0.002 0.000 0.268 397 G C -2.157 172.763 174.900 0.033 0.000 1.213 397 G CA -0.891 44.228 45.100 0.033 0.000 0.926 397 G HN 0.347 nan 8.290 nan 0.000 0.523 398 P HA 0.139 nan 4.420 nan 0.000 0.272 398 P C 0.481 177.919 177.300 0.231 0.000 1.223 398 P CA 0.052 63.209 63.100 0.095 0.000 0.784 398 P CB 1.138 32.894 31.700 0.094 0.000 0.923 399 T N -2.241 112.447 114.554 0.223 0.000 2.975 399 T HA 0.224 4.572 4.350 -0.002 0.000 0.257 399 T C 0.443 175.384 174.700 0.402 0.000 1.003 399 T CA -0.133 62.133 62.100 0.276 0.000 0.932 399 T CB -0.038 68.909 68.868 0.131 0.000 1.087 399 T HN 0.289 nan 8.240 nan 0.000 0.512 400 V N 1.251 121.300 119.914 0.225 0.000 2.823 400 V HA 0.733 4.852 4.120 -0.002 0.000 0.312 400 V C -0.600 175.251 176.094 -0.406 0.000 1.072 400 V CA -0.818 61.505 62.300 0.038 0.000 0.937 400 V CB 2.086 33.928 31.823 0.032 0.000 1.013 400 V HN 0.381 nan 8.190 nan 0.000 0.430 401 S N 4.639 119.921 115.700 -0.696 0.000 2.545 401 S HA 0.396 4.864 4.470 -0.002 0.000 0.275 401 S C 0.762 175.142 174.600 -0.367 0.000 1.299 401 S CA -0.444 57.312 58.200 -0.739 0.000 1.048 401 S CB 0.768 63.562 63.200 -0.675 0.000 0.938 401 S HN 0.707 nan 8.310 nan 0.000 0.496 402 L N 2.691 123.714 121.223 -0.333 0.000 2.558 402 L HA 0.305 4.643 4.340 -0.002 0.000 0.225 402 L C 0.328 177.082 176.870 -0.194 0.000 1.128 402 L CA 0.358 55.025 54.840 -0.289 0.000 0.868 402 L CB 0.080 41.909 42.059 -0.384 0.000 1.006 402 L HN 0.565 nan 8.230 nan 0.000 0.454 403 D N -0.655 119.663 120.400 -0.137 0.000 2.328 403 D HA 0.064 4.703 4.640 -0.002 0.000 0.243 403 D C 0.882 177.191 176.300 0.014 0.000 1.324 403 D CA -0.069 53.917 54.000 -0.024 0.000 0.966 403 D CB 1.157 42.023 40.800 0.110 0.000 1.324 403 D HN -0.030 nan 8.370 nan 0.000 0.549 404 T N -0.402 114.151 114.554 -0.002 0.000 3.160 404 T HA 0.066 4.415 4.350 -0.002 0.000 0.257 404 T C 1.085 175.878 174.700 0.155 0.000 1.147 404 T CA 0.433 62.533 62.100 0.001 0.000 1.064 404 T CB 0.153 68.982 68.868 -0.065 0.000 0.949 404 T HN 0.308 nan 8.240 nan 0.000 0.526 405 E N 0.074 120.413 120.200 0.230 0.000 2.442 405 E HA 0.098 4.447 4.350 -0.002 0.000 0.195 405 E C 1.435 178.247 176.600 0.353 0.000 1.030 405 E CA 0.185 56.785 56.400 0.333 0.000 0.869 405 E CB 0.399 30.230 29.700 0.219 0.000 0.857 405 E HN 0.424 nan 8.360 nan 0.000 0.505 406 V N 0.227 120.332 119.914 0.318 0.000 3.090 406 V HA 0.133 4.252 4.120 -0.002 0.000 0.237 406 V C -0.057 176.296 176.094 0.431 0.000 1.209 406 V CA 0.174 62.607 62.300 0.222 0.000 1.209 406 V CB 0.744 32.569 31.823 0.004 0.000 0.971 406 V HN 0.057 nan 8.190 nan 0.000 0.477 407 L N -0.335 121.099 121.223 0.351 0.000 2.431 407 L HA 0.795 5.134 4.340 -0.002 0.000 0.266 407 L C -0.778 176.157 176.870 0.108 0.000 0.978 407 L CA 0.303 55.327 54.840 0.305 0.000 0.822 407 L CB 2.072 44.207 42.059 0.126 0.000 1.310 407 L HN 0.065 nan 8.230 nan 0.000 0.409 408 T N 1.599 116.231 114.554 0.130 0.000 2.883 408 T HA 0.690 5.038 4.350 -0.002 0.000 0.296 408 T C -0.690 174.154 174.700 0.239 0.000 1.117 408 T CA -0.002 62.085 62.100 -0.020 0.000 1.006 408 T CB 1.255 69.820 68.868 -0.504 0.000 1.191 408 T HN 0.892 nan 8.240 nan 0.000 0.508 409 S N 1.065 116.885 115.700 0.200 0.000 2.632 409 S HA 0.261 4.730 4.470 -0.002 0.000 0.267 409 S C 1.823 176.438 174.600 0.026 0.000 1.276 409 S CA -0.087 58.215 58.200 0.170 0.000 0.998 409 S CB 0.933 64.233 63.200 0.167 0.000 0.953 409 S HN 1.036 nan 8.310 nan 0.000 0.547 410 V N -0.441 119.463 119.914 -0.016 0.000 2.626 410 V HA 0.053 4.172 4.120 -0.002 0.000 0.252 410 V C 2.322 178.409 176.094 -0.012 0.000 1.067 410 V CA 1.705 63.993 62.300 -0.019 0.000 1.081 410 V CB -1.660 30.145 31.823 -0.031 0.000 0.686 410 V HN 1.011 nan 8.190 nan 0.000 0.468 411 A N 1.386 124.200 122.820 -0.008 0.000 1.930 411 A HA -0.032 4.287 4.320 -0.002 0.000 0.217 411 A C 1.871 179.447 177.584 -0.014 0.000 1.175 411 A CA 1.963 53.997 52.037 -0.005 0.000 0.627 411 A CB -0.833 18.166 19.000 -0.000 0.000 0.815 411 A HN 1.044 nan 8.150 nan 0.000 0.443 412 T N -1.807 112.730 114.554 -0.029 0.000 3.401 412 T HA 0.531 4.880 4.350 -0.002 0.000 0.341 412 T C -2.838 171.794 174.700 -0.114 0.000 1.674 412 T CA -1.820 60.247 62.100 -0.055 0.000 1.600 412 T CB 1.392 70.227 68.868 -0.055 0.000 0.974 412 T HN 0.172 nan 8.240 nan 0.000 0.672 413 P HA 0.384 nan 4.420 nan 0.000 0.278 413 P C 0.407 177.621 177.300 -0.142 0.000 1.266 413 P CA -0.829 62.194 63.100 -0.129 0.000 0.807 413 P CB 0.875 32.564 31.700 -0.018 0.000 1.094 414 F N -0.780 119.197 119.950 0.044 0.000 2.134 414 F HA -0.064 4.461 4.527 -0.002 0.000 0.299 414 F C 1.486 177.299 175.800 0.022 0.000 1.097 414 F CA 1.703 59.723 58.000 0.033 0.000 1.264 414 F CB -0.339 38.681 39.000 0.033 0.000 1.001 414 F HN 0.286 nan 8.300 nan 0.000 0.479 415 Q N -0.564 119.352 119.800 0.193 0.000 2.377 415 Q HA 0.184 4.523 4.340 -0.002 0.000 0.279 415 Q C -0.107 175.935 176.000 0.069 0.000 1.049 415 Q CA -0.640 55.226 55.803 0.106 0.000 0.825 415 Q CB 1.514 30.307 28.738 0.092 0.000 1.401 415 Q HN 0.053 nan 8.270 nan 0.000 0.404 416 N N 0.847 119.573 118.700 0.043 0.000 2.421 416 N HA -0.049 4.690 4.740 -0.002 0.000 0.201 416 N C -0.879 174.643 175.510 0.019 0.000 1.198 416 N CA 0.265 53.332 53.050 0.028 0.000 0.838 416 N CB -0.273 38.228 38.487 0.024 0.000 1.011 416 N HN 0.618 nan 8.380 nan 0.000 0.463 417 N N -4.076 114.638 118.700 0.024 0.000 2.927 417 N HA 0.439 5.178 4.740 -0.002 0.000 0.248 417 N C 0.373 175.893 175.510 0.018 0.000 1.443 417 N CA -0.802 52.255 53.050 0.011 0.000 0.870 417 N CB 0.663 39.156 38.487 0.009 0.000 1.444 417 N HN -0.160 nan 8.380 nan 0.000 0.519 418 G N -1.626 107.180 108.800 0.009 0.000 2.880 418 G HA2 0.356 4.315 3.960 -0.002 0.000 0.209 418 G HA3 0.356 4.315 3.960 -0.002 0.000 0.209 418 G C 0.994 175.894 174.900 0.000 0.000 1.157 418 G CA 0.056 45.164 45.100 0.013 0.000 0.779 418 G HN 1.490 nan 8.290 nan 0.000 0.539 419 G N -0.416 108.381 108.800 -0.006 0.000 2.166 419 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.260 419 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.260 419 G C 0.307 175.179 174.900 -0.047 0.000 0.986 419 G CA 0.364 45.450 45.100 -0.023 0.000 0.683 419 G HN 0.550 nan 8.290 nan 0.000 0.527 420 L N 0.521 121.720 121.223 -0.039 0.000 2.259 420 L HA 0.466 4.805 4.340 -0.002 0.000 0.288 420 L C -0.400 176.431 176.870 -0.066 0.000 1.051 420 L CA -0.657 54.139 54.840 -0.073 0.000 0.824 420 L CB 0.665 42.700 42.059 -0.039 0.000 1.206 420 L HN -0.084 nan 8.230 nan 0.000 0.429 421 K N 4.266 124.600 120.400 -0.109 0.000 2.259 421 K HA 0.444 4.762 4.320 -0.002 0.000 0.252 421 K C -0.780 175.737 176.600 -0.138 0.000 0.936 421 K CA -0.889 55.346 56.287 -0.086 0.000 0.810 421 K CB 2.599 35.061 32.500 -0.062 0.000 1.143 421 K HN 0.357 nan 8.250 nan 0.000 0.427 422 L N 2.826 124.005 121.223 -0.073 0.000 2.349 422 L HA 0.377 4.716 4.340 -0.002 0.000 0.275 422 L C -0.998 175.848 176.870 -0.040 0.000 1.115 422 L CA 0.008 54.811 54.840 -0.062 0.000 0.820 422 L CB 0.326 42.428 42.059 0.073 0.000 1.135 422 L HN 0.473 nan 8.230 nan 0.000 0.445 423 L N 5.748 126.940 121.223 -0.051 0.000 2.341 423 L HA 0.580 4.918 4.340 -0.002 0.000 0.278 423 L C -0.198 176.694 176.870 0.038 0.000 1.005 423 L CA -0.613 54.217 54.840 -0.017 0.000 0.818 423 L CB 1.379 43.410 42.059 -0.047 0.000 1.259 423 L HN 0.602 nan 8.230 nan 0.000 0.418 424 K N 1.778 122.203 120.400 0.042 0.000 2.328 424 K HA 0.912 5.230 4.320 -0.002 0.000 0.246 424 K C -0.280 176.344 176.600 0.039 0.000 0.955 424 K CA -0.790 55.532 56.287 0.057 0.000 0.817 424 K CB 2.815 35.351 32.500 0.059 0.000 1.208 424 K HN 0.786 nan 8.250 nan 0.000 0.432 425 G N 0.530 109.355 108.800 0.041 0.000 2.336 425 G HA2 -0.076 3.883 3.960 -0.002 0.000 0.286 425 G HA3 -0.076 3.883 3.960 -0.002 0.000 0.286 425 G C -0.135 174.782 174.900 0.029 0.000 1.269 425 G CA -0.482 44.636 45.100 0.030 0.000 0.873 425 G HN 0.558 nan 8.290 nan 0.000 0.494 426 N N -0.111 118.602 118.700 0.023 0.000 2.289 426 N HA -0.045 4.694 4.740 -0.002 0.000 0.184 426 N C 2.063 177.587 175.510 0.023 0.000 1.016 426 N CA 1.510 54.572 53.050 0.021 0.000 0.872 426 N CB -0.274 38.222 38.487 0.016 0.000 0.973 426 N HN 0.419 nan 8.380 nan 0.000 0.433 427 L N -1.055 120.183 121.223 0.025 0.000 2.291 427 L HA 0.162 4.501 4.340 -0.002 0.000 0.214 427 L C 1.593 178.488 176.870 0.040 0.000 1.120 427 L CA 0.724 55.581 54.840 0.028 0.000 0.799 427 L CB -0.499 41.574 42.059 0.024 0.000 0.925 427 L HN 0.579 nan 8.230 nan 0.000 0.446 428 G N -0.327 108.502 108.800 0.048 0.000 2.253 428 G HA2 -0.086 3.872 3.960 -0.002 0.000 0.190 428 G HA3 -0.086 3.872 3.960 -0.002 0.000 0.190 428 G C -0.766 174.194 174.900 0.100 0.000 1.274 428 G CA -0.775 44.365 45.100 0.067 0.000 1.275 428 G HN 0.087 nan 8.290 nan 0.000 0.518 429 R N 0.146 120.742 120.500 0.160 0.000 2.575 429 R HA 0.775 5.113 4.340 -0.002 0.000 0.293 429 R C -0.133 176.392 176.300 0.376 0.000 0.983 429 R CA 0.072 56.337 56.100 0.276 0.000 0.887 429 R CB 2.030 32.537 30.300 0.346 0.000 1.184 429 R HN 1.324 nan 8.270 nan 0.000 0.445 430 A N 1.724 124.640 122.820 0.160 0.000 2.552 430 A HA 0.797 5.116 4.320 -0.002 0.000 0.288 430 A C -1.044 176.206 177.584 -0.557 0.000 1.193 430 A CA -0.723 51.228 52.037 -0.145 0.000 0.713 430 A CB 1.471 20.420 19.000 -0.085 0.000 1.305 430 A HN 0.474 nan 8.150 nan 0.000 0.424 431 V N -1.526 117.930 119.914 -0.763 0.000 2.960 431 V HA 0.913 5.032 4.120 -0.002 0.000 0.315 431 V C -0.439 175.377 176.094 -0.464 0.000 1.087 431 V CA -0.731 61.131 62.300 -0.730 0.000 0.982 431 V CB 1.585 32.768 31.823 -1.067 0.000 1.039 431 V HN 1.175 nan 8.190 nan 0.000 0.437 432 I N 1.324 121.685 120.570 -0.347 0.000 2.656 432 I HA 0.563 4.732 4.170 -0.002 0.000 0.292 432 I C -0.973 175.022 176.117 -0.203 0.000 1.144 432 I CA -0.701 60.454 61.300 -0.241 0.000 1.038 432 I CB 2.101 40.005 38.000 -0.160 0.000 1.244 432 I HN 0.625 nan 8.210 nan 0.000 0.420 433 K N 6.603 126.897 120.400 -0.177 0.000 2.253 433 K HA 0.295 4.614 4.320 -0.002 0.000 0.277 433 K C 0.376 176.922 176.600 -0.091 0.000 1.053 433 K CA -0.192 56.017 56.287 -0.131 0.000 0.892 433 K CB 1.637 34.059 32.500 -0.130 0.000 1.102 433 K HN 0.565 nan 8.250 nan 0.000 0.469 434 V N 0.035 119.908 119.914 -0.068 0.000 3.578 434 V HA 0.070 4.189 4.120 -0.002 0.000 0.290 434 V C 1.512 177.588 176.094 -0.029 0.000 1.376 434 V CA 0.121 62.396 62.300 -0.042 0.000 1.083 434 V CB 0.470 32.273 31.823 -0.033 0.000 0.911 434 V HN 0.436 nan 8.190 nan 0.000 0.433 435 S N 1.963 117.641 115.700 -0.037 0.000 2.387 435 S HA -0.059 4.409 4.470 -0.002 0.000 0.230 435 S C 1.820 176.405 174.600 -0.024 0.000 1.035 435 S CA 2.082 60.266 58.200 -0.027 0.000 1.014 435 S CB -0.242 62.936 63.200 -0.037 0.000 0.836 435 S HN 0.972 nan 8.310 nan 0.000 0.466 436 A N 0.376 123.177 122.820 -0.032 0.000 2.465 436 A HA 0.483 4.802 4.320 -0.002 0.000 0.255 436 A C 0.176 177.759 177.584 -0.002 0.000 1.274 436 A CA -0.275 51.746 52.037 -0.026 0.000 0.920 436 A CB 0.402 19.374 19.000 -0.047 0.000 1.033 436 A HN 0.199 nan 8.150 nan 0.000 0.516 437 V N 1.782 121.699 119.914 0.006 0.000 2.350 437 V HA 0.150 4.269 4.120 -0.002 0.000 0.276 437 V C 0.122 176.242 176.094 0.045 0.000 1.028 437 V CA -0.608 61.716 62.300 0.040 0.000 0.860 437 V CB 1.072 32.910 31.823 0.026 0.000 0.990 437 V HN 0.575 nan 8.190 nan 0.000 0.453 438 Q N 5.724 125.569 119.800 0.076 0.000 2.361 438 Q HA 0.069 4.407 4.340 -0.002 0.000 0.276 438 Q C -1.445 174.529 176.000 -0.044 0.000 1.022 438 Q CA -1.244 54.557 55.803 -0.003 0.000 0.898 438 Q CB 0.760 29.463 28.738 -0.058 0.000 1.246 438 Q HN 0.455 nan 8.270 nan 0.000 0.410 439 P HA -0.285 nan 4.420 nan 0.000 0.216 439 P C 1.127 178.379 177.300 -0.079 0.000 1.150 439 P CA 1.531 64.601 63.100 -0.050 0.000 0.843 439 P CB 0.056 31.730 31.700 -0.043 0.000 0.787 440 Q N -0.803 118.894 119.800 -0.172 0.000 2.234 440 Q HA -0.209 4.130 4.340 -0.002 0.000 0.206 440 Q C 0.889 176.786 176.000 -0.172 0.000 0.980 440 Q CA 1.662 57.332 55.803 -0.223 0.000 0.869 440 Q CB -1.130 27.397 28.738 -0.352 0.000 0.912 440 Q HN 0.455 nan 8.270 nan 0.000 0.436 441 H N -0.612 118.456 119.070 -0.003 0.000 2.549 441 H HA 0.301 4.855 4.556 -0.002 0.000 0.279 441 H C 1.063 176.387 175.328 -0.007 0.000 1.018 441 H CA -0.442 55.605 56.048 -0.002 0.000 1.175 441 H CB 0.567 30.328 29.762 -0.003 0.000 1.485 441 H HN 0.161 nan 8.280 nan 0.000 0.543 442 R N 0.485 121.029 120.500 0.073 0.000 2.297 442 R HA 0.102 4.440 4.340 -0.002 0.000 0.197 442 R C -0.380 175.935 176.300 0.025 0.000 0.943 442 R CA 0.213 56.335 56.100 0.036 0.000 1.038 442 R CB 0.822 31.128 30.300 0.011 0.000 0.957 442 R HN 0.004 nan 8.270 nan 0.000 0.484 443 V N 1.382 121.316 119.914 0.033 0.000 2.443 443 V HA 0.308 4.427 4.120 -0.002 0.000 0.293 443 V C -0.665 175.451 176.094 0.037 0.000 1.021 443 V CA -0.754 61.561 62.300 0.025 0.000 0.848 443 V CB 2.135 33.968 31.823 0.016 0.000 0.998 443 V HN -0.246 nan 8.190 nan 0.000 0.424 444 V N 4.161 124.092 119.914 0.029 0.000 2.525 444 V HA 0.493 4.612 4.120 -0.002 0.000 0.299 444 V C -0.345 175.761 176.094 0.020 0.000 1.034 444 V CA -0.534 61.784 62.300 0.031 0.000 0.863 444 V CB 1.997 33.838 31.823 0.030 0.000 0.999 444 V HN 0.938 nan 8.190 nan 0.000 0.423 445 E N 3.552 123.765 120.200 0.022 0.000 2.145 445 E HA 0.769 5.118 4.350 -0.002 0.000 0.262 445 E C -0.752 175.858 176.600 0.017 0.000 0.883 445 E CA -0.334 56.075 56.400 0.016 0.000 0.748 445 E CB 1.591 31.300 29.700 0.015 0.000 1.140 445 E HN 0.912 nan 8.360 nan 0.000 0.417 446 A N 4.911 127.737 122.820 0.011 0.000 2.604 446 A HA 0.605 4.924 4.320 -0.002 0.000 0.295 446 A C -2.827 174.757 177.584 -0.000 0.000 1.067 446 A CA -1.410 50.632 52.037 0.008 0.000 0.683 446 A CB 1.553 20.559 19.000 0.010 0.000 1.281 446 A HN 0.465 nan 8.150 nan 0.000 0.407 447 P HA 0.331 nan 4.420 nan 0.000 0.268 447 P C -0.036 177.255 177.300 -0.014 0.000 1.208 447 P CA 0.381 63.475 63.100 -0.010 0.000 0.777 447 P CB 0.688 32.378 31.700 -0.016 0.000 0.875 448 A N 2.475 125.288 122.820 -0.012 0.000 2.302 448 A HA 0.493 4.812 4.320 -0.002 0.000 0.285 448 A C -0.403 177.171 177.584 -0.016 0.000 1.105 448 A CA -0.444 51.586 52.037 -0.012 0.000 0.816 448 A CB 0.469 19.464 19.000 -0.008 0.000 1.067 448 A HN 0.359 nan 8.150 nan 0.000 0.489 449 V N 3.050 122.954 119.914 -0.016 0.000 2.419 449 V HA 0.305 4.424 4.120 -0.002 0.000 0.287 449 V C -0.549 175.538 176.094 -0.011 0.000 1.017 449 V CA -0.423 61.867 62.300 -0.016 0.000 0.844 449 V CB 1.364 33.174 31.823 -0.021 0.000 1.011 449 V HN 0.650 nan 8.190 nan 0.000 0.429 450 V N 7.008 126.917 119.914 -0.009 0.000 2.407 450 V HA 0.619 4.738 4.120 -0.002 0.000 0.278 450 V C -0.065 176.025 176.094 -0.005 0.000 1.037 450 V CA -0.375 61.921 62.300 -0.006 0.000 0.900 450 V CB 1.323 33.144 31.823 -0.004 0.000 0.983 450 V HN 0.805 nan 8.190 nan 0.000 0.459 451 I N 1.068 121.635 120.570 -0.005 0.000 2.865 451 I HA 0.702 4.871 4.170 -0.002 0.000 0.302 451 I C -0.299 175.815 176.117 -0.006 0.000 1.140 451 I CA -0.826 60.470 61.300 -0.005 0.000 1.021 451 I CB 2.613 40.609 38.000 -0.006 0.000 1.233 451 I HN 0.542 nan 8.210 nan 0.000 0.427 452 D N 0.250 120.647 120.400 -0.005 0.000 2.440 452 D HA 0.255 4.894 4.640 -0.002 0.000 0.216 452 D C -0.499 175.796 176.300 -0.008 0.000 1.150 452 D CA 0.204 54.201 54.000 -0.004 0.000 0.832 452 D CB 0.359 41.160 40.800 0.001 0.000 0.992 452 D HN 0.584 nan 8.370 nan 0.000 0.502 453 D N 0.764 121.157 120.400 -0.013 0.000 2.931 453 D HA -0.003 4.635 4.640 -0.002 0.000 0.215 453 D C 0.924 177.211 176.300 -0.022 0.000 1.297 453 D CA -0.297 53.692 54.000 -0.018 0.000 0.892 453 D CB 1.811 42.599 40.800 -0.020 0.000 1.642 453 D HN 0.048 nan 8.370 nan 0.000 0.560 454 Q N 2.512 122.296 119.800 -0.027 0.000 2.291 454 Q HA -0.099 4.239 4.340 -0.002 0.000 0.206 454 Q C 0.399 176.382 176.000 -0.028 0.000 0.976 454 Q CA 1.149 56.934 55.803 -0.030 0.000 0.875 454 Q CB 0.009 28.724 28.738 -0.038 0.000 0.927 454 Q HN 0.271 nan 8.270 nan 0.000 0.450 455 N N 1.174 119.858 118.700 -0.027 0.000 2.396 455 N HA -0.056 4.683 4.740 -0.002 0.000 0.180 455 N C 0.988 176.486 175.510 -0.020 0.000 1.028 455 N CA 0.937 53.971 53.050 -0.027 0.000 0.893 455 N CB 0.044 38.512 38.487 -0.032 0.000 0.967 455 N HN 0.412 nan 8.380 nan 0.000 0.440 456 K N 0.525 120.915 120.400 -0.016 0.000 2.439 456 K HA -0.002 4.317 4.320 -0.002 0.000 0.197 456 K C 1.703 178.305 176.600 0.004 0.000 1.041 456 K CA 0.100 56.382 56.287 -0.007 0.000 0.970 456 K CB 0.081 32.576 32.500 -0.008 0.000 0.773 456 K HN 0.017 nan 8.250 nan 0.000 0.479 457 L N 1.315 122.538 121.223 -0.000 0.000 2.072 457 L HA -0.150 4.188 4.340 -0.002 0.000 0.205 457 L C 1.747 178.644 176.870 0.046 0.000 1.079 457 L CA 1.855 56.703 54.840 0.014 0.000 0.752 457 L CB -0.297 41.755 42.059 -0.010 0.000 0.906 457 L HN 0.070 nan 8.230 nan 0.000 0.436 458 D N -0.674 119.737 120.400 0.019 0.000 2.117 458 D HA -0.179 4.460 4.640 -0.002 0.000 0.197 458 D C 2.145 178.514 176.300 0.115 0.000 0.987 458 D CA 1.350 55.376 54.000 0.042 0.000 0.829 458 D CB 0.024 40.820 40.800 -0.007 0.000 0.961 458 D HN 0.416 nan 8.370 nan 0.000 0.460 459 A N -0.223 122.637 122.820 0.066 0.000 1.933 459 A HA -0.085 4.234 4.320 -0.002 0.000 0.218 459 A C 2.067 179.686 177.584 0.059 0.000 1.175 459 A CA 0.896 52.967 52.037 0.056 0.000 0.628 459 A CB -0.675 18.341 19.000 0.026 0.000 0.814 459 A HN 0.347 nan 8.150 nan 0.000 0.444 460 L N -1.730 119.531 121.223 0.064 0.000 2.056 460 L HA -0.007 4.332 4.340 -0.002 0.000 0.207 460 L C 2.172 179.079 176.870 0.063 0.000 1.078 460 L CA 1.786 56.653 54.840 0.045 0.000 0.749 460 L CB -0.940 41.142 42.059 0.038 0.000 0.901 460 L HN 0.497 nan 8.230 nan 0.000 0.433 461 F N 0.300 120.229 119.950 -0.034 0.000 2.134 461 F HA -0.227 4.298 4.527 -0.002 0.000 0.299 461 F C 2.322 178.106 175.800 -0.027 0.000 1.097 461 F CA 1.693 59.672 58.000 -0.035 0.000 1.264 461 F CB -0.112 38.872 39.000 -0.026 0.000 1.001 461 F HN -0.018 nan 8.300 nan 0.000 0.479 462 K N -0.186 120.300 120.400 0.144 0.000 2.211 462 K HA -0.094 4.224 4.320 -0.002 0.000 0.203 462 K C 1.920 178.489 176.600 -0.051 0.000 1.050 462 K CA 1.281 57.597 56.287 0.048 0.000 0.945 462 K CB -0.255 32.310 32.500 0.109 0.000 0.732 462 K HN 0.362 nan 8.250 nan 0.000 0.451 463 S N -0.663 115.007 115.700 -0.051 0.000 2.631 463 S HA 0.123 4.592 4.470 -0.002 0.000 0.217 463 S C 1.275 175.813 174.600 -0.104 0.000 0.958 463 S CA 0.237 58.400 58.200 -0.061 0.000 0.920 463 S CB 0.295 63.474 63.200 -0.035 0.000 0.776 463 S HN 0.398 nan 8.310 nan 0.000 0.517 464 G N 0.731 109.424 108.800 -0.178 0.000 2.155 464 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.257 464 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.257 464 G C 0.923 175.706 174.900 -0.195 0.000 0.983 464 G CA 0.096 45.063 45.100 -0.221 0.000 0.676 464 G HN 1.239 nan 8.290 nan 0.000 0.528 465 A N -0.672 122.059 122.820 -0.149 0.000 2.121 465 A HA 0.433 4.752 4.320 -0.002 0.000 0.218 465 A C 2.127 179.621 177.584 -0.149 0.000 1.154 465 A CA 1.565 53.530 52.037 -0.120 0.000 0.679 465 A CB -0.141 18.817 19.000 -0.071 0.000 0.795 465 A HN 0.849 nan 8.150 nan 0.000 0.458 466 L N -0.852 120.258 121.223 -0.187 0.000 2.693 466 L HA 0.136 4.475 4.340 -0.002 0.000 0.235 466 L C -0.150 176.483 176.870 -0.395 0.000 1.127 466 L CA -0.189 54.532 54.840 -0.198 0.000 0.914 466 L CB 0.061 42.091 42.059 -0.047 0.000 1.193 466 L HN 0.041 nan 8.230 nan 0.000 0.502 467 D N 2.636 122.744 120.400 -0.487 0.000 2.982 467 D HA 0.131 4.770 4.640 -0.002 0.000 0.238 467 D C 0.176 175.679 176.300 -1.330 0.000 1.168 467 D CA 0.288 53.805 54.000 -0.806 0.000 0.947 467 D CB -0.038 40.546 40.800 -0.361 0.000 1.147 467 D HN 0.333 nan 8.370 nan 0.000 0.450 468 R N -1.680 118.028 120.500 -1.320 0.000 2.728 468 R HA 0.376 4.715 4.340 -0.002 0.000 0.274 468 R C -1.370 174.684 176.300 -0.409 0.000 1.030 468 R CA -0.898 54.712 56.100 -0.818 0.000 0.876 468 R CB 0.025 30.132 30.300 -0.321 0.000 1.259 468 R HN -0.347 nan 8.270 nan 0.000 0.468 469 D N 0.641 121.007 120.400 -0.056 0.000 2.487 469 D HA 0.346 4.985 4.640 -0.002 0.000 0.243 469 D C -0.064 176.215 176.300 -0.035 0.000 1.154 469 D CA 0.273 54.288 54.000 0.025 0.000 0.876 469 D CB 0.251 41.095 40.800 0.073 0.000 1.161 469 D HN 0.792 nan 8.370 nan 0.000 0.478 470 C N -0.563 118.722 119.300 -0.025 0.000 3.307 470 C HA 0.600 5.059 4.460 -0.002 0.000 0.333 470 C C -0.786 174.195 174.990 -0.015 0.000 1.291 470 C CA -1.061 57.938 59.018 -0.031 0.000 1.273 470 C CB 0.646 28.351 27.740 -0.059 0.000 1.580 470 C HN 0.306 nan 8.230 nan 0.000 0.481 471 V N 2.456 122.362 119.914 -0.014 0.000 2.328 471 V HA 0.412 4.531 4.120 -0.002 0.000 0.278 471 V C 0.145 176.230 176.094 -0.014 0.000 1.021 471 V CA -0.255 62.039 62.300 -0.011 0.000 0.838 471 V CB 1.312 33.130 31.823 -0.008 0.000 0.999 471 V HN 0.801 nan 8.190 nan 0.000 0.447 472 V N 6.503 126.409 119.914 -0.014 0.000 2.415 472 V HA 0.161 4.280 4.120 -0.002 0.000 0.267 472 V C 0.256 176.342 176.094 -0.013 0.000 1.042 472 V CA -0.121 62.171 62.300 -0.012 0.000 1.000 472 V CB 1.221 33.039 31.823 -0.009 0.000 1.015 472 V HN 0.602 nan 8.190 nan 0.000 0.478 473 V N 6.577 126.484 119.914 -0.011 0.000 2.383 473 V HA 0.333 4.452 4.120 -0.002 0.000 0.275 473 V C 0.016 176.105 176.094 -0.009 0.000 1.036 473 V CA -0.404 61.890 62.300 -0.009 0.000 0.889 473 V CB 1.693 33.512 31.823 -0.006 0.000 0.985 473 V HN 0.609 nan 8.190 nan 0.000 0.459 474 V N 6.686 126.593 119.914 -0.011 0.000 2.326 474 V HA 0.434 4.552 4.120 -0.002 0.000 0.281 474 V C 0.167 176.256 176.094 -0.008 0.000 1.015 474 V CA -0.819 61.474 62.300 -0.012 0.000 0.823 474 V CB 1.040 32.851 31.823 -0.020 0.000 1.009 474 V HN 0.990 nan 8.190 nan 0.000 0.436 475 K N 2.349 122.746 120.400 -0.005 0.000 2.245 475 K HA 0.853 5.172 4.320 -0.002 0.000 0.234 475 K C 0.744 177.342 176.600 -0.003 0.000 1.021 475 K CA -0.274 56.013 56.287 -0.001 0.000 0.898 475 K CB 1.476 33.977 32.500 0.003 0.000 1.163 475 K HN 0.894 nan 8.250 nan 0.000 0.459 476 G N 0.580 109.380 108.800 0.000 0.000 2.221 476 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.265 476 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.265 476 G C 0.059 174.954 174.900 -0.007 0.000 1.041 476 G CA 0.250 45.350 45.100 -0.000 0.000 0.807 476 G HN 0.501 nan 8.290 nan 0.000 0.502 477 Q N -0.715 119.079 119.800 -0.011 0.000 2.149 477 Q HA 0.284 4.623 4.340 -0.002 0.000 0.221 477 Q C 1.453 177.436 176.000 -0.028 0.000 0.807 477 Q CA 0.467 56.257 55.803 -0.022 0.000 1.000 477 Q CB 0.812 29.535 28.738 -0.026 0.000 1.157 477 Q HN 0.669 nan 8.270 nan 0.000 0.487 478 G N 1.629 110.418 108.800 -0.019 0.000 2.616 478 G HA2 0.244 4.202 3.960 -0.002 0.000 0.268 478 G HA3 0.244 4.202 3.960 -0.002 0.000 0.268 478 G C -1.772 173.109 174.900 -0.033 0.000 1.213 478 G CA -0.928 44.157 45.100 -0.026 0.000 0.926 478 G HN -0.090 nan 8.290 nan 0.000 0.523 479 P HA -0.130 nan 4.420 nan 0.000 0.216 479 P C 1.724 179.016 177.300 -0.013 0.000 1.157 479 P CA 1.713 64.793 63.100 -0.032 0.000 0.880 479 P CB 0.170 31.851 31.700 -0.032 0.000 0.791 480 K N -1.055 119.341 120.400 -0.006 0.000 2.155 480 K HA 0.030 4.348 4.320 -0.002 0.000 0.203 480 K C 2.117 178.722 176.600 0.007 0.000 1.052 480 K CA 1.183 57.474 56.287 0.005 0.000 0.948 480 K CB -0.467 32.037 32.500 0.006 0.000 0.728 480 K HN 0.047 nan 8.250 nan 0.000 0.448 481 A N 2.707 125.527 122.820 0.001 0.000 1.841 481 A HA -0.155 4.163 4.320 -0.002 0.000 0.214 481 A C 1.385 178.970 177.584 0.001 0.000 1.195 481 A CA 1.944 53.983 52.037 0.003 0.000 0.611 481 A CB -0.232 18.768 19.000 -0.000 0.000 0.835 481 A HN 0.499 nan 8.150 nan 0.000 0.443 482 N N -2.163 116.530 118.700 -0.011 0.000 2.301 482 N HA 0.372 5.111 4.740 -0.002 0.000 0.247 482 N C 0.409 175.897 175.510 -0.037 0.000 1.347 482 N CA 0.734 53.772 53.050 -0.020 0.000 0.844 482 N CB -0.447 38.027 38.487 -0.022 0.000 1.332 482 N HN 1.156 nan 8.380 nan 0.000 0.494 486 E N 1.085 121.211 120.200 -0.124 0.000 2.417 486 E HA 0.192 4.541 4.350 -0.002 0.000 0.261 486 E C -0.274 176.079 176.600 -0.412 0.000 1.000 486 E CA 0.014 56.253 56.400 -0.268 0.000 0.919 486 E CB 0.418 29.943 29.700 -0.292 0.000 0.955 486 E HN 0.239 nan 8.360 nan 0.000 0.455 487 L N 4.818 125.820 121.223 -0.369 0.000 2.264 487 L HA 0.188 4.527 4.340 -0.002 0.000 0.287 487 L C 0.946 177.629 176.870 -0.311 0.000 1.039 487 L CA -0.481 54.200 54.840 -0.265 0.000 0.829 487 L CB 0.404 42.380 42.059 -0.138 0.000 1.211 487 L HN 0.609 nan 8.230 nan 0.000 0.427 488 H N 1.536 120.583 119.070 -0.038 0.000 2.563 488 H HA 0.092 4.646 4.556 -0.002 0.000 0.264 488 H C 0.864 176.159 175.328 -0.053 0.000 0.957 488 H CA 0.423 56.445 56.048 -0.043 0.000 1.173 488 H CB 0.637 30.376 29.762 -0.037 0.000 1.420 488 H HN 0.519 nan 8.280 nan 0.000 0.551 489 K N 0.404 120.821 120.400 0.027 0.000 2.417 489 K HA 0.049 4.367 4.320 -0.002 0.000 0.196 489 K C 0.949 177.517 176.600 -0.053 0.000 1.023 489 K CA -0.084 56.193 56.287 -0.017 0.000 1.122 489 K CB 0.649 33.134 32.500 -0.025 0.000 0.850 489 K HN -0.034 nan 8.250 nan 0.000 0.521 490 L N 0.194 121.386 121.223 -0.051 0.000 2.189 490 L HA -0.048 4.291 4.340 -0.002 0.000 0.199 490 L C 2.495 179.327 176.870 -0.063 0.000 1.074 490 L CA 1.747 56.551 54.840 -0.060 0.000 0.783 490 L CB -0.979 41.045 42.059 -0.057 0.000 0.955 490 L HN 0.209 nan 8.230 nan 0.000 0.460 491 T N -2.517 112.004 114.554 -0.056 0.000 2.788 491 T HA -0.074 4.275 4.350 -0.002 0.000 0.268 491 T C -0.349 174.315 174.700 -0.061 0.000 1.044 491 T CA 0.996 63.063 62.100 -0.055 0.000 1.139 491 T CB -1.635 67.203 68.868 -0.050 0.000 0.867 491 T HN 0.146 nan 8.240 nan 0.000 0.454 492 P HA 0.070 nan 4.420 nan 0.000 0.215 492 P C 1.787 179.021 177.300 -0.110 0.000 1.157 492 P CA 0.817 63.867 63.100 -0.082 0.000 0.863 492 P CB -0.244 31.402 31.700 -0.090 0.000 0.787 493 L N -1.728 119.389 121.223 -0.176 0.000 2.056 493 L HA -0.130 4.209 4.340 -0.002 0.000 0.207 493 L C 2.471 179.309 176.870 -0.054 0.000 1.078 493 L CA 1.176 55.854 54.840 -0.271 0.000 0.749 493 L CB -1.063 40.683 42.059 -0.522 0.000 0.901 493 L HN -0.054 nan 8.230 nan 0.000 0.433 494 L N -0.008 121.195 121.223 -0.032 0.000 2.131 494 L HA -0.107 4.232 4.340 -0.002 0.000 0.210 494 L C 2.642 179.517 176.870 0.009 0.000 1.092 494 L CA 1.499 56.348 54.840 0.014 0.000 0.759 494 L CB -0.884 41.168 42.059 -0.012 0.000 0.903 494 L HN 0.242 nan 8.230 nan 0.000 0.435 495 G N -0.902 107.887 108.800 -0.019 0.000 2.440 495 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.218 495 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.218 495 G C 1.789 176.693 174.900 0.007 0.000 1.154 495 G CA 1.044 46.130 45.100 -0.024 0.000 0.767 495 G HN 0.508 nan 8.290 nan 0.000 0.552 496 S N 0.136 115.858 115.700 0.038 0.000 2.402 496 S HA 0.003 4.472 4.470 -0.002 0.000 0.229 496 S C 2.263 176.956 174.600 0.155 0.000 1.021 496 S CA 1.005 59.259 58.200 0.090 0.000 0.974 496 S CB -0.235 63.034 63.200 0.115 0.000 0.800 496 S HN 0.062 nan 8.310 nan 0.000 0.484 497 L N 1.871 123.212 121.223 0.198 0.000 2.056 497 L HA 0.043 4.382 4.340 -0.002 0.000 0.207 497 L C 2.959 179.962 176.870 0.222 0.000 1.078 497 L CA 1.846 56.852 54.840 0.276 0.000 0.749 497 L CB -1.410 40.784 42.059 0.226 0.000 0.901 497 L HN 0.502 nan 8.230 nan 0.000 0.433 498 Q N -0.692 119.151 119.800 0.071 0.000 2.079 498 Q HA -0.217 4.122 4.340 -0.002 0.000 0.200 498 Q C 1.650 177.619 176.000 -0.052 0.000 0.974 498 Q CA 1.720 57.492 55.803 -0.051 0.000 0.840 498 Q CB 0.094 28.711 28.738 -0.202 0.000 0.898 498 Q HN 0.423 nan 8.270 nan 0.000 0.430 499 D N 0.544 120.935 120.400 -0.015 0.000 2.149 499 D HA -0.142 4.496 4.640 -0.002 0.000 0.198 499 D C 1.390 177.673 176.300 -0.027 0.000 0.990 499 D CA 1.187 55.183 54.000 -0.007 0.000 0.839 499 D CB -0.031 40.776 40.800 0.012 0.000 0.948 499 D HN 0.266 nan 8.370 nan 0.000 0.460 500 K N -0.647 119.734 120.400 -0.031 0.000 2.515 500 K HA 0.068 4.387 4.320 -0.002 0.000 0.196 500 K C 1.203 177.604 176.600 -0.333 0.000 1.038 500 K CA 0.731 56.937 56.287 -0.135 0.000 0.967 500 K CB 0.328 32.785 32.500 -0.071 0.000 0.780 500 K HN 0.233 nan 8.250 nan 0.000 0.483 501 G N 0.558 109.209 108.800 -0.247 0.000 2.184 501 G HA2 -0.210 3.748 3.960 -0.002 0.000 0.206 501 G HA3 -0.210 3.748 3.960 -0.002 0.000 0.206 501 G C -0.037 174.714 174.900 -0.248 0.000 0.995 501 G CA -0.596 44.358 45.100 -0.243 0.000 0.651 501 G HN 0.099 nan 8.290 nan 0.000 0.511 502 F N 1.404 121.355 119.950 0.001 0.000 2.410 502 F HA 0.521 5.047 4.527 -0.002 0.000 0.334 502 F C 1.213 177.006 175.800 -0.012 0.000 1.134 502 F CA -0.220 57.778 58.000 -0.003 0.000 1.227 502 F CB 0.717 39.712 39.000 -0.009 0.000 1.194 502 F HN -0.156 nan 8.300 nan 0.000 0.571 503 K N 2.619 123.149 120.400 0.216 0.000 2.268 503 K HA 0.526 4.844 4.320 -0.002 0.000 0.276 503 K C -1.112 175.536 176.600 0.079 0.000 1.080 503 K CA -0.509 55.848 56.287 0.117 0.000 0.910 503 K CB 1.086 33.651 32.500 0.109 0.000 1.163 503 K HN 0.486 nan 8.250 nan 0.000 0.465 504 V N -0.921 119.014 119.914 0.036 0.000 2.962 504 V HA 0.961 5.079 4.120 -0.002 0.000 0.313 504 V C -0.813 175.276 176.094 -0.007 0.000 1.099 504 V CA -0.977 61.332 62.300 0.016 0.000 0.971 504 V CB 1.778 33.614 31.823 0.023 0.000 1.028 504 V HN 0.734 nan 8.190 nan 0.000 0.430 505 A N 3.298 126.113 122.820 -0.009 0.000 2.587 505 A HA 0.903 5.222 4.320 -0.002 0.000 0.293 505 A C -1.528 176.043 177.584 -0.021 0.000 1.087 505 A CA -0.692 51.335 52.037 -0.018 0.000 0.692 505 A CB 1.831 20.824 19.000 -0.012 0.000 1.291 505 A HN 0.835 nan 8.150 nan 0.000 0.407 509 D N 0.925 121.340 120.400 0.025 0.000 2.349 509 D HA 0.245 4.884 4.640 -0.002 0.000 0.224 509 D C 1.190 177.509 176.300 0.032 0.000 1.029 509 D CA 0.522 54.547 54.000 0.042 0.000 0.879 509 D CB -0.030 40.787 40.800 0.029 0.000 0.906 509 D HN 0.624 nan 8.370 nan 0.000 0.528 510 G N -0.183 108.628 108.800 0.019 0.000 2.945 510 G HA2 0.642 4.601 3.960 -0.002 0.000 0.156 510 G HA3 0.642 4.601 3.960 -0.002 0.000 0.156 510 G C -0.095 174.837 174.900 0.053 0.000 1.375 510 G CA -0.759 44.337 45.100 -0.006 0.000 1.039 510 G HN 0.369 nan 8.290 nan 0.000 0.586 514 G N 1.640 110.421 108.800 -0.032 0.000 2.213 514 G HA2 0.072 4.031 3.960 -0.002 0.000 0.236 514 G HA3 0.072 4.031 3.960 -0.002 0.000 0.236 514 G C 0.527 175.394 174.900 -0.055 0.000 0.991 514 G CA 0.252 45.332 45.100 -0.033 0.000 0.629 514 G HN 1.662 nan 8.290 nan 0.000 0.517 515 A N -0.002 122.785 122.820 -0.056 0.000 2.249 515 A HA 0.784 5.103 4.320 -0.002 0.000 0.281 515 A C 0.704 178.232 177.584 -0.093 0.000 1.127 515 A CA 0.800 52.788 52.037 -0.081 0.000 0.833 515 A CB 0.548 19.492 19.000 -0.094 0.000 1.140 515 A HN 1.074 nan 8.150 nan 0.000 0.502 516 S N -0.303 115.336 115.700 -0.102 0.000 2.422 516 S HA 0.573 5.042 4.470 -0.002 0.000 0.308 516 S C 0.406 174.952 174.600 -0.089 0.000 1.097 516 S CA -0.123 58.019 58.200 -0.096 0.000 1.099 516 S CB 1.173 64.318 63.200 -0.093 0.000 0.976 516 S HN 1.094 nan 8.310 nan 0.000 0.471 517 G N 1.408 110.161 108.800 -0.079 0.000 2.531 517 G HA2 0.424 4.383 3.960 -0.002 0.000 0.313 517 G HA3 0.424 4.383 3.960 -0.002 0.000 0.313 517 G C 0.584 175.453 174.900 -0.052 0.000 1.238 517 G CA -0.877 44.182 45.100 -0.068 0.000 0.994 517 G HN 0.686 nan 8.290 nan 0.000 0.493 518 K N -1.423 118.951 120.400 -0.043 0.000 2.379 518 K HA 0.205 4.524 4.320 -0.002 0.000 0.194 518 K C 0.074 176.655 176.600 -0.032 0.000 1.031 518 K CA 0.016 56.291 56.287 -0.021 0.000 1.037 518 K CB 0.352 32.845 32.500 -0.011 0.000 0.824 518 K HN 0.136 nan 8.250 nan 0.000 0.516 519 V N 4.720 124.601 119.914 -0.055 0.000 2.465 519 V HA 0.211 4.330 4.120 -0.002 0.000 0.279 519 V C -2.212 173.854 176.094 -0.047 0.000 1.045 519 V CA -2.212 60.049 62.300 -0.066 0.000 0.938 519 V CB 1.234 33.017 31.823 -0.067 0.000 0.986 519 V HN 0.221 nan 8.190 nan 0.000 0.467 520 P HA 0.217 nan 4.420 nan 0.000 0.267 520 P C -0.806 176.465 177.300 -0.049 0.000 1.209 520 P CA 0.107 63.188 63.100 -0.032 0.000 0.763 520 P CB 0.812 32.506 31.700 -0.010 0.000 0.816 521 A N 3.438 126.216 122.820 -0.070 0.000 2.375 521 A HA 0.629 4.948 4.320 -0.002 0.000 0.291 521 A C -0.077 177.442 177.584 -0.107 0.000 1.160 521 A CA -0.771 51.218 52.037 -0.081 0.000 0.747 521 A CB 1.081 20.028 19.000 -0.087 0.000 1.170 521 A HN 0.528 nan 8.150 nan 0.000 0.458 522 A N 3.518 126.284 122.820 -0.091 0.000 2.310 522 A HA 0.625 4.944 4.320 -0.002 0.000 0.300 522 A C 0.181 177.701 177.584 -0.106 0.000 1.269 522 A CA -0.224 51.748 52.037 -0.109 0.000 0.909 522 A CB -0.622 18.335 19.000 -0.071 0.000 1.144 522 A HN 1.434 nan 8.150 nan 0.000 0.540 523 I N -1.556 118.909 120.570 -0.174 0.000 2.957 523 I HA 0.615 4.783 4.170 -0.002 0.000 0.310 523 I C 0.392 176.475 176.117 -0.057 0.000 1.063 523 I CA -1.008 60.220 61.300 -0.120 0.000 1.033 523 I CB 1.237 39.122 38.000 -0.192 0.000 1.230 523 I HN 0.895 nan 8.210 nan 0.000 0.447 524 H N -0.074 118.959 119.070 -0.061 0.000 2.958 524 H HA -0.160 4.394 4.556 -0.002 0.000 0.274 524 H C 0.029 175.445 175.328 0.146 0.000 1.184 524 H CA 0.237 56.312 56.048 0.046 0.000 1.143 524 H CB -1.091 28.715 29.762 0.074 0.000 1.297 524 H HN 0.539 nan 8.280 nan 0.000 0.356 525 L N 2.194 123.521 121.223 0.174 0.000 2.615 525 L HA 0.029 4.368 4.340 -0.002 0.000 0.284 525 L C 0.332 177.296 176.870 0.156 0.000 1.237 525 L CA 1.423 56.351 54.840 0.147 0.000 0.905 525 L CB 0.578 42.680 42.059 0.072 0.000 1.149 525 L HN 0.223 nan 8.230 nan 0.000 0.499 526 T N 5.959 120.613 114.554 0.166 0.000 2.952 526 T HA 0.457 4.805 4.350 -0.002 0.000 0.305 526 T C -2.652 172.092 174.700 0.074 0.000 1.064 526 T CA -0.913 61.252 62.100 0.109 0.000 1.008 526 T CB 1.854 70.782 68.868 0.100 0.000 1.078 526 T HN 0.372 nan 8.240 nan 0.000 0.459 527 P HA 0.189 nan 4.420 nan 0.000 0.271 527 P C 0.174 177.493 177.300 0.032 0.000 1.216 527 P CA -0.484 62.631 63.100 0.026 0.000 0.776 527 P CB 0.396 32.105 31.700 0.014 0.000 0.881 528 E N 1.962 122.177 120.200 0.026 0.000 2.410 528 E HA 0.202 4.551 4.350 -0.002 0.000 0.255 528 E C 0.942 177.553 176.600 0.017 0.000 1.194 528 E CA -0.529 55.885 56.400 0.023 0.000 0.955 528 E CB 0.302 30.011 29.700 0.015 0.000 0.988 528 E HN 0.320 nan 8.360 nan 0.000 0.461 529 A N 1.765 124.594 122.820 0.014 0.000 1.873 529 A HA -0.226 4.093 4.320 -0.002 0.000 0.218 529 A C 2.286 179.877 177.584 0.011 0.000 1.193 529 A CA 2.122 54.167 52.037 0.012 0.000 0.629 529 A CB -1.230 17.776 19.000 0.010 0.000 0.826 529 A HN 0.771 nan 8.150 nan 0.000 0.447 530 I N -4.027 116.549 120.570 0.010 0.000 3.176 530 I HA -0.002 4.167 4.170 -0.002 0.000 0.275 530 I C 0.645 176.767 176.117 0.009 0.000 1.298 530 I CA 1.417 62.722 61.300 0.010 0.000 1.445 530 I CB -0.181 37.825 38.000 0.011 0.000 1.075 530 I HN -0.005 nan 8.210 nan 0.000 0.482 531 D N 1.729 122.134 120.400 0.008 0.000 2.339 531 D HA 0.159 4.798 4.640 -0.002 0.000 0.217 531 D C 1.683 177.988 176.300 0.007 0.000 1.050 531 D CA 1.005 55.009 54.000 0.006 0.000 0.856 531 D CB 0.661 41.464 40.800 0.004 0.000 0.922 531 D HN 0.616 nan 8.370 nan 0.000 0.518 532 G N 0.409 109.214 108.800 0.009 0.000 2.141 532 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.231 532 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.231 532 G C 0.753 175.659 174.900 0.011 0.000 0.984 532 G CA -0.107 44.998 45.100 0.009 0.000 0.660 532 G HN 0.534 nan 8.290 nan 0.000 0.525 533 G N -0.617 108.191 108.800 0.013 0.000 2.491 533 G HA2 0.481 4.440 3.960 -0.002 0.000 0.238 533 G HA3 0.481 4.440 3.960 -0.002 0.000 0.238 533 G C 1.135 176.045 174.900 0.016 0.000 1.277 533 G CA 0.115 45.225 45.100 0.017 0.000 0.851 533 G HN 0.779 nan 8.290 nan 0.000 0.573 534 L N 2.561 123.794 121.223 0.017 0.000 2.263 534 L HA -0.128 4.211 4.340 -0.002 0.000 0.216 534 L C 2.527 179.405 176.870 0.014 0.000 1.111 534 L CA 1.162 56.011 54.840 0.015 0.000 0.773 534 L CB -0.362 41.706 42.059 0.016 0.000 0.906 534 L HN 0.715 nan 8.230 nan 0.000 0.439 535 I N -1.122 119.458 120.570 0.016 0.000 2.335 535 I HA -0.324 3.844 4.170 -0.002 0.000 0.251 535 I C 2.239 178.362 176.117 0.010 0.000 1.129 535 I CA 1.340 62.648 61.300 0.013 0.000 1.402 535 I CB -0.064 37.946 38.000 0.016 0.000 1.069 535 I HN 0.315 nan 8.210 nan 0.000 0.424 536 A N 0.195 123.021 122.820 0.010 0.000 2.067 536 A HA -0.162 4.156 4.320 -0.002 0.000 0.219 536 A C 2.231 179.819 177.584 0.007 0.000 1.158 536 A CA 1.256 53.298 52.037 0.009 0.000 0.661 536 A CB -0.310 18.696 19.000 0.009 0.000 0.801 536 A HN 0.439 nan 8.150 nan 0.000 0.452 537 K N -0.402 120.002 120.400 0.007 0.000 2.379 537 K HA 0.179 4.498 4.320 -0.002 0.000 0.194 537 K C -0.110 176.493 176.600 0.005 0.000 1.031 537 K CA -0.127 56.164 56.287 0.006 0.000 1.037 537 K CB 0.272 32.776 32.500 0.006 0.000 0.824 537 K HN 0.276 nan 8.250 nan 0.000 0.516 538 V N 3.013 122.930 119.914 0.005 0.000 2.644 538 V HA -0.117 4.002 4.120 -0.002 0.000 0.305 538 V C 0.277 176.372 176.094 0.001 0.000 1.053 538 V CA 0.720 63.022 62.300 0.003 0.000 1.186 538 V CB 0.407 32.232 31.823 0.003 0.000 0.895 538 V HN 0.260 nan 8.190 nan 0.000 0.490 539 Q N 2.140 121.940 119.800 -0.000 0.000 2.351 539 Q HA 0.365 4.703 4.340 -0.002 0.000 0.273 539 Q C -0.832 175.166 176.000 -0.004 0.000 1.077 539 Q CA -1.032 54.770 55.803 -0.002 0.000 0.843 539 Q CB 1.813 30.550 28.738 -0.001 0.000 1.367 539 Q HN 0.663 nan 8.270 nan 0.000 0.449 540 D N 0.347 120.743 120.400 -0.006 0.000 2.533 540 D HA 0.066 4.705 4.640 -0.002 0.000 0.236 540 D C 0.899 177.193 176.300 -0.010 0.000 1.137 540 D CA 1.751 55.745 54.000 -0.010 0.000 0.867 540 D CB 0.980 41.773 40.800 -0.012 0.000 1.170 540 D HN 0.883 nan 8.370 nan 0.000 0.474 541 G N 2.936 111.728 108.800 -0.012 0.000 2.308 541 G HA2 -0.241 3.717 3.960 -0.002 0.000 0.221 541 G HA3 -0.241 3.717 3.960 -0.002 0.000 0.221 541 G C 0.072 174.967 174.900 -0.007 0.000 1.032 541 G CA -0.242 44.851 45.100 -0.011 0.000 0.623 541 G HN 0.538 nan 8.290 nan 0.000 0.506 542 D N 1.953 122.350 120.400 -0.005 0.000 2.571 542 D HA 0.308 4.947 4.640 -0.002 0.000 0.231 542 D C 0.894 177.193 176.300 -0.002 0.000 1.133 542 D CA 0.130 54.128 54.000 -0.002 0.000 0.862 542 D CB 0.521 41.320 40.800 -0.001 0.000 1.179 542 D HN 0.125 nan 8.370 nan 0.000 0.474 543 L N 3.053 124.276 121.223 0.000 0.000 2.360 543 L HA 0.304 4.643 4.340 -0.002 0.000 0.276 543 L C 0.488 177.359 176.870 0.002 0.000 1.121 543 L CA 0.119 54.959 54.840 0.001 0.000 0.845 543 L CB 0.145 42.206 42.059 0.003 0.000 1.143 543 L HN 0.324 nan 8.230 nan 0.000 0.452 544 I N 4.190 124.761 120.570 0.002 0.000 2.436 544 I HA 0.375 4.544 4.170 -0.002 0.000 0.289 544 I C 0.197 176.317 176.117 0.004 0.000 1.010 544 I CA -0.565 60.737 61.300 0.002 0.000 1.098 544 I CB 1.982 39.983 38.000 0.000 0.000 1.266 544 I HN 0.502 nan 8.210 nan 0.000 0.434 545 R N 6.282 126.785 120.500 0.005 0.000 2.215 545 R HA 0.496 4.835 4.340 -0.002 0.000 0.336 545 R C -1.419 174.883 176.300 0.003 0.000 0.996 545 R CA -0.398 55.706 56.100 0.006 0.000 0.847 545 R CB 1.602 31.906 30.300 0.007 0.000 1.127 545 R HN 0.457 nan 8.270 nan 0.000 0.465 546 V N 5.550 125.464 119.914 0.001 0.000 2.318 546 V HA 0.224 4.343 4.120 -0.002 0.000 0.271 546 V C -0.995 175.098 176.094 -0.002 0.000 1.030 546 V CA -0.367 61.929 62.300 -0.005 0.000 0.844 546 V CB 1.252 33.068 31.823 -0.012 0.000 1.015 546 V HN 0.736 nan 8.190 nan 0.000 0.460 547 D N 5.535 125.933 120.400 -0.003 0.000 2.460 547 D HA 0.463 5.102 4.640 -0.002 0.000 0.232 547 D C 0.647 176.942 176.300 -0.008 0.000 1.079 547 D CA 0.093 54.092 54.000 -0.001 0.000 0.864 547 D CB 2.006 42.807 40.800 0.002 0.000 1.048 547 D HN 0.613 nan 8.370 nan 0.000 0.523 548 A N 4.277 127.090 122.820 -0.011 0.000 2.208 548 A HA 0.031 4.350 4.320 -0.002 0.000 0.209 548 A C 1.952 179.528 177.584 -0.012 0.000 1.161 548 A CA 0.162 52.188 52.037 -0.019 0.000 0.782 548 A CB -0.100 18.886 19.000 -0.024 0.000 0.816 548 A HN 0.657 nan 8.150 nan 0.000 0.477 549 L N -0.328 120.892 121.223 -0.005 0.000 2.068 549 L HA -0.089 4.250 4.340 -0.002 0.000 0.204 549 L C 2.783 179.653 176.870 0.000 0.000 1.076 549 L CA 2.035 56.874 54.840 -0.002 0.000 0.753 549 L CB -0.164 41.895 42.059 -0.000 0.000 0.910 549 L HN 0.606 nan 8.230 nan 0.000 0.439 550 T N -4.636 109.919 114.554 0.002 0.000 3.037 550 T HA 0.192 4.541 4.350 -0.002 0.000 0.252 550 T C 1.259 175.962 174.700 0.006 0.000 1.073 550 T CA 0.499 62.602 62.100 0.005 0.000 1.091 550 T CB 0.573 69.445 68.868 0.007 0.000 0.935 550 T HN 0.451 nan 8.240 nan 0.000 0.488 551 G N 1.174 109.975 108.800 0.001 0.000 2.130 551 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.216 551 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.216 551 G C -0.323 174.580 174.900 0.005 0.000 0.999 551 G CA 0.016 45.116 45.100 0.000 0.000 0.686 551 G HN 0.754 nan 8.290 nan 0.000 0.515 552 E N -0.409 119.794 120.200 0.004 0.000 2.216 552 E HA 0.632 4.981 4.350 -0.002 0.000 0.279 552 E C -0.803 175.799 176.600 0.003 0.000 0.997 552 E CA -0.961 55.443 56.400 0.008 0.000 0.817 552 E CB 0.996 30.701 29.700 0.009 0.000 1.096 552 E HN 0.303 nan 8.360 nan 0.000 0.393 553 L N 3.458 124.686 121.223 0.008 0.000 2.427 553 L HA 0.384 4.723 4.340 -0.002 0.000 0.264 553 L C -1.599 175.278 176.870 0.012 0.000 0.989 553 L CA -0.077 54.767 54.840 0.006 0.000 0.865 553 L CB 1.613 43.675 42.059 0.005 0.000 1.209 553 L HN 0.319 nan 8.230 nan 0.000 0.430 554 S N 4.755 120.461 115.700 0.009 0.000 2.532 554 S HA 0.610 5.079 4.470 -0.002 0.000 0.299 554 S C -1.038 173.567 174.600 0.009 0.000 1.105 554 S CA -0.499 57.707 58.200 0.011 0.000 1.018 554 S CB 1.856 65.062 63.200 0.010 0.000 1.021 554 S HN 0.552 nan 8.310 nan 0.000 0.483 555 L N 3.751 124.980 121.223 0.009 0.000 2.278 555 L HA 0.442 4.781 4.340 -0.002 0.000 0.287 555 L C -0.727 176.147 176.870 0.007 0.000 1.072 555 L CA -0.263 54.582 54.840 0.007 0.000 0.819 555 L CB 0.204 42.268 42.059 0.008 0.000 1.176 555 L HN 0.568 nan 8.230 nan 0.000 0.435 556 L N 7.319 128.546 121.223 0.006 0.000 2.727 556 L HA 0.264 4.603 4.340 -0.002 0.000 0.237 556 L C -0.250 176.623 176.870 0.005 0.000 1.370 556 L CA 0.122 54.965 54.840 0.006 0.000 1.248 556 L CB -0.432 41.630 42.059 0.006 0.000 1.556 556 L HN 0.506 nan 8.230 nan 0.000 0.420 557 V N -2.741 117.177 119.914 0.005 0.000 2.876 557 V HA 0.805 4.924 4.120 -0.002 0.000 0.312 557 V C 0.319 176.416 176.094 0.005 0.000 1.085 557 V CA -0.939 61.364 62.300 0.005 0.000 0.945 557 V CB 1.735 33.560 31.823 0.004 0.000 1.017 557 V HN 0.339 nan 8.190 nan 0.000 0.428 558 S N 0.996 116.699 115.700 0.005 0.000 2.579 558 S HA 0.158 4.627 4.470 -0.002 0.000 0.275 558 S C 0.542 175.145 174.600 0.005 0.000 1.345 558 S CA 0.370 58.573 58.200 0.005 0.000 1.031 558 S CB 0.770 63.972 63.200 0.005 0.000 0.892 558 S HN 0.841 nan 8.310 nan 0.000 0.529 559 D N 1.561 121.964 120.400 0.006 0.000 2.149 559 D HA -0.100 4.539 4.640 -0.002 0.000 0.198 559 D C 2.268 178.571 176.300 0.005 0.000 0.990 559 D CA 2.136 56.139 54.000 0.006 0.000 0.839 559 D CB -0.629 40.175 40.800 0.006 0.000 0.948 559 D HN 0.886 nan 8.370 nan 0.000 0.460 560 T N -1.681 112.876 114.554 0.005 0.000 2.746 560 T HA -0.162 4.187 4.350 -0.002 0.000 0.267 560 T C 1.835 176.538 174.700 0.004 0.000 1.039 560 T CA 1.249 63.351 62.100 0.004 0.000 1.142 560 T CB -0.374 68.497 68.868 0.004 0.000 0.866 560 T HN 0.167 nan 8.240 nan 0.000 0.444 561 E N 0.634 120.836 120.200 0.004 0.000 2.204 561 E HA -0.029 4.320 4.350 -0.002 0.000 0.194 561 E C 2.088 178.690 176.600 0.004 0.000 0.989 561 E CA 0.614 57.016 56.400 0.003 0.000 0.824 561 E CB -0.216 29.486 29.700 0.003 0.000 0.756 561 E HN 0.566 nan 8.360 nan 0.000 0.477 562 L N -0.111 121.115 121.223 0.004 0.000 2.313 562 L HA -0.022 4.317 4.340 -0.002 0.000 0.214 562 L C 2.426 179.298 176.870 0.005 0.000 1.119 562 L CA 0.648 55.491 54.840 0.005 0.000 0.809 562 L CB -0.164 41.898 42.059 0.006 0.000 0.933 562 L HN 0.138 nan 8.230 nan 0.000 0.449 563 A N -0.034 122.789 122.820 0.004 0.000 2.066 563 A HA -0.159 4.160 4.320 -0.002 0.000 0.218 563 A C 2.395 179.981 177.584 0.004 0.000 1.157 563 A CA 1.824 53.863 52.037 0.004 0.000 0.670 563 A CB -0.692 18.311 19.000 0.004 0.000 0.804 563 A HN 0.490 nan 8.150 nan 0.000 0.453 564 T N -2.251 112.305 114.554 0.004 0.000 2.985 564 T HA 0.082 4.431 4.350 -0.002 0.000 0.266 564 T C 1.024 175.726 174.700 0.003 0.000 1.076 564 T CA 0.052 62.154 62.100 0.003 0.000 1.135 564 T CB -0.221 68.649 68.868 0.003 0.000 0.890 564 T HN 0.402 nan 8.240 nan 0.000 0.480 565 R N 1.802 122.304 120.500 0.004 0.000 2.438 565 R HA 0.435 4.773 4.340 -0.002 0.000 0.287 565 R C -0.550 175.753 176.300 0.004 0.000 1.077 565 R CA -0.072 56.030 56.100 0.004 0.000 1.034 565 R CB 0.653 30.955 30.300 0.004 0.000 0.993 565 R HN 0.176 nan 8.270 nan 0.000 0.459 566 T N 1.932 116.488 114.554 0.004 0.000 2.771 566 T HA 0.332 4.681 4.350 -0.002 0.000 0.281 566 T C -0.001 174.702 174.700 0.005 0.000 0.982 566 T CA -0.633 61.470 62.100 0.005 0.000 0.978 566 T CB 1.614 70.484 68.868 0.005 0.000 0.930 566 T HN 0.672 nan 8.240 nan 0.000 0.447 567 A N 3.587 126.411 122.820 0.006 0.000 2.511 567 A HA 0.444 4.763 4.320 -0.002 0.000 0.242 567 A C 1.092 178.680 177.584 0.007 0.000 1.069 567 A CA -0.484 51.557 52.037 0.006 0.000 0.763 567 A CB -0.339 18.665 19.000 0.007 0.000 1.001 567 A HN 0.893 nan 8.150 nan 0.000 0.498 568 T N 1.001 115.559 114.554 0.007 0.000 2.926 568 T HA 0.262 4.611 4.350 -0.002 0.000 0.307 568 T C 0.101 174.807 174.700 0.009 0.000 1.059 568 T CA -0.314 61.791 62.100 0.007 0.000 1.122 568 T CB 0.556 69.428 68.868 0.007 0.000 0.972 568 T HN 0.696 nan 8.240 nan 0.000 0.545 569 E N 1.709 121.916 120.200 0.011 0.000 2.217 569 E HA 0.244 4.593 4.350 -0.002 0.000 0.279 569 E C -0.424 176.185 176.600 0.016 0.000 1.068 569 E CA -0.478 55.930 56.400 0.013 0.000 0.882 569 E CB 0.304 30.012 29.700 0.014 0.000 1.039 569 E HN 0.584 nan 8.360 nan 0.000 0.418 570 I N 4.040 124.620 120.570 0.016 0.000 2.352 570 I HA 0.017 4.185 4.170 -0.002 0.000 0.290 570 I C 0.214 176.347 176.117 0.027 0.000 1.036 570 I CA -0.317 60.994 61.300 0.019 0.000 1.336 570 I CB 0.789 38.798 38.000 0.016 0.000 1.407 570 I HN 0.481 nan 8.210 nan 0.000 0.497 571 D N 7.328 127.748 120.400 0.034 0.000 2.402 571 D HA 0.184 4.822 4.640 -0.002 0.000 0.235 571 D C 0.382 176.719 176.300 0.061 0.000 1.226 571 D CA 0.112 54.142 54.000 0.050 0.000 0.918 571 D CB 0.625 41.462 40.800 0.062 0.000 1.043 571 D HN 0.415 nan 8.370 nan 0.000 0.506 572 L N 3.299 124.554 121.223 0.054 0.000 2.667 572 L HA 0.266 4.605 4.340 -0.002 0.000 0.232 572 L C 2.149 179.058 176.870 0.065 0.000 1.138 572 L CA -0.255 54.618 54.840 0.054 0.000 0.921 572 L CB 0.055 42.137 42.059 0.037 0.000 1.180 572 L HN 0.230 nan 8.230 nan 0.000 0.487 573 R N -0.344 120.198 120.500 0.071 0.000 2.117 573 R HA -0.205 4.134 4.340 -0.002 0.000 0.243 573 R C 1.566 177.873 176.300 0.010 0.000 1.143 573 R CA 1.697 57.826 56.100 0.048 0.000 0.968 573 R CB -0.371 29.939 30.300 0.017 0.000 0.863 573 R HN 0.412 nan 8.270 nan 0.000 0.444 574 H N -1.406 117.681 119.070 0.029 0.000 2.547 574 H HA 0.154 4.708 4.556 -0.002 0.000 0.266 574 H C 0.904 176.146 175.328 -0.143 0.000 0.988 574 H CA 0.630 56.619 56.048 -0.098 0.000 1.147 574 H CB 0.565 30.279 29.762 -0.080 0.000 1.365 574 H HN 0.032 nan 8.280 nan 0.000 0.589 575 S N -0.311 115.402 115.700 0.021 0.000 2.557 575 S HA 0.144 4.612 4.470 -0.002 0.000 0.223 575 S C 1.594 176.197 174.600 0.004 0.000 0.969 575 S CA -0.102 58.094 58.200 -0.006 0.000 0.927 575 S CB 0.443 63.648 63.200 0.008 0.000 0.806 575 S HN 0.315 nan 8.310 nan 0.000 0.489 576 R N 0.464 120.983 120.500 0.031 0.000 2.344 576 R HA 0.278 4.616 4.340 -0.002 0.000 0.209 576 R C -0.122 176.281 176.300 0.171 0.000 0.886 576 R CA 0.366 56.525 56.100 0.099 0.000 1.040 576 R CB 0.224 30.594 30.300 0.117 0.000 1.114 576 R HN 0.598 nan 8.270 nan 0.000 0.547 577 Y N -2.165 118.142 120.300 0.011 0.000 2.615 577 Y HA 0.635 5.184 4.550 -0.002 0.000 0.341 577 Y C 0.075 175.992 175.900 0.028 0.000 1.089 577 Y CA -0.847 57.264 58.100 0.019 0.000 1.049 577 Y CB 1.109 39.566 38.460 -0.006 0.000 1.296 577 Y HN 0.213 nan 8.280 nan 0.000 0.470 581 R N 0.577 121.185 120.500 0.179 0.000 2.148 581 R HA -0.011 4.328 4.340 -0.002 0.000 0.227 581 R C 2.004 178.459 176.300 0.259 0.000 1.103 581 R CA 1.476 57.688 56.100 0.187 0.000 0.983 581 R CB 0.022 30.353 30.300 0.051 0.000 0.874 581 R HN 0.338 nan 8.270 nan 0.000 0.451 582 E N 0.767 121.094 120.200 0.212 0.000 2.219 582 E HA -0.196 4.153 4.350 -0.002 0.000 0.198 582 E C 1.562 178.238 176.600 0.128 0.000 0.998 582 E CA 1.027 57.524 56.400 0.162 0.000 0.818 582 E CB -0.223 29.556 29.700 0.131 0.000 0.741 582 E HN 0.359 nan 8.360 nan 0.000 0.477 583 L N -1.067 120.247 121.223 0.153 0.000 2.418 583 L HA 0.072 4.411 4.340 -0.002 0.000 0.218 583 L C 0.920 177.664 176.870 -0.210 0.000 1.125 583 L CA 0.385 55.182 54.840 -0.071 0.000 0.835 583 L CB 0.029 41.959 42.059 -0.215 0.000 0.953 583 L HN 0.091 nan 8.230 nan 0.000 0.454 584 F N -0.953 119.012 119.950 0.025 0.000 2.661 584 F HA 0.291 4.816 4.527 -0.002 0.000 0.306 584 F C 2.147 177.959 175.800 0.020 0.000 1.094 584 F CA -0.096 57.916 58.000 0.021 0.000 1.254 584 F CB -0.286 38.725 39.000 0.020 0.000 1.040 584 F HN -0.110 nan 8.300 nan 0.000 0.562 585 G N 0.297 109.194 108.800 0.162 0.000 2.469 585 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.219 585 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.219 585 G C 1.794 176.739 174.900 0.075 0.000 1.150 585 G CA 1.385 46.549 45.100 0.106 0.000 0.763 585 G HN 0.248 nan 8.290 nan 0.000 0.561 586 V N 0.422 120.368 119.914 0.053 0.000 2.453 586 V HA 0.001 4.120 4.120 -0.002 0.000 0.247 586 V C 2.865 178.986 176.094 0.045 0.000 1.048 586 V CA 1.171 63.491 62.300 0.034 0.000 1.049 586 V CB -0.136 31.693 31.823 0.010 0.000 0.672 586 V HN 0.347 nan 8.190 nan 0.000 0.457 587 L N -0.595 120.668 121.223 0.068 0.000 2.044 587 L HA -0.116 4.223 4.340 -0.002 0.000 0.205 587 L C 2.711 179.636 176.870 0.092 0.000 1.075 587 L CA 1.645 56.537 54.840 0.086 0.000 0.747 587 L CB -0.636 41.502 42.059 0.131 0.000 0.903 587 L HN 0.230 nan 8.230 nan 0.000 0.435 588 R N -0.264 120.305 120.500 0.116 0.000 2.091 588 R HA -0.207 4.132 4.340 -0.002 0.000 0.238 588 R C 2.458 178.788 176.300 0.050 0.000 1.136 588 R CA 1.893 58.041 56.100 0.081 0.000 0.959 588 R CB -0.245 30.106 30.300 0.085 0.000 0.856 588 R HN 0.157 nan 8.270 nan 0.000 0.437 589 S N 0.132 115.861 115.700 0.050 0.000 2.447 589 S HA -0.004 4.464 4.470 -0.002 0.000 0.233 589 S C 1.168 175.783 174.600 0.025 0.000 1.006 589 S CA 0.851 59.071 58.200 0.033 0.000 0.957 589 S CB -0.063 63.156 63.200 0.032 0.000 0.773 589 S HN 0.418 nan 8.310 nan 0.000 0.507 590 N N 0.902 119.619 118.700 0.029 0.000 2.203 590 N HA 0.145 4.884 4.740 -0.002 0.000 0.207 590 N C -0.839 174.683 175.510 0.019 0.000 1.130 590 N CA -0.121 52.941 53.050 0.021 0.000 0.861 590 N CB 0.191 38.692 38.487 0.022 0.000 1.005 590 N HN 0.263 nan 8.380 nan 0.000 0.507 591 L N 2.136 123.372 121.223 0.022 0.000 2.513 591 L HA 0.006 4.344 4.340 -0.002 0.000 0.272 591 L C 1.345 178.215 176.870 -0.001 0.000 1.187 591 L CA 0.155 55.004 54.840 0.015 0.000 0.895 591 L CB 0.211 42.279 42.059 0.014 0.000 1.147 591 L HN 0.108 nan 8.230 nan 0.000 0.483 592 S N 2.071 117.766 115.700 -0.008 0.000 2.641 592 S HA 0.432 4.901 4.470 -0.002 0.000 0.261 592 S C 0.361 174.936 174.600 -0.040 0.000 1.257 592 S CA -0.359 57.826 58.200 -0.025 0.000 0.983 592 S CB 0.659 63.841 63.200 -0.029 0.000 0.990 592 S HN 0.716 nan 8.310 nan 0.000 0.572 593 S N 0.364 116.026 115.700 -0.064 0.000 2.572 593 S HA 0.238 4.706 4.470 -0.002 0.000 0.279 593 S C -1.962 172.578 174.600 -0.100 0.000 1.341 593 S CA -0.805 57.344 58.200 -0.084 0.000 1.043 593 S CB -0.028 63.094 63.200 -0.130 0.000 0.887 593 S HN 0.550 nan 8.310 nan 0.000 0.516 594 P HA -0.200 nan 4.420 nan 0.000 0.216 594 P C 1.340 178.600 177.300 -0.066 0.000 1.154 594 P CA 1.691 64.783 63.100 -0.014 0.000 0.865 594 P CB 0.023 31.807 31.700 0.139 0.000 0.789 595 E N -0.681 119.262 120.200 -0.428 0.000 2.268 595 E HA -0.124 4.225 4.350 -0.002 0.000 0.195 595 E C 0.964 177.316 176.600 -0.413 0.000 0.995 595 E CA 1.470 57.327 56.400 -0.905 0.000 0.836 595 E CB -0.281 28.403 29.700 -1.694 0.000 0.763 595 E HN 0.278 nan 8.360 nan 0.000 0.491 596 T N -3.735 110.669 114.554 -0.250 0.000 3.105 596 T HA 0.381 4.730 4.350 -0.002 0.000 0.253 596 T C 1.198 175.859 174.700 -0.065 0.000 1.047 596 T CA 0.185 62.204 62.100 -0.135 0.000 0.944 596 T CB 0.855 69.656 68.868 -0.112 0.000 1.016 596 T HN 0.253 nan 8.240 nan 0.000 0.544 597 G N 1.164 109.932 108.800 -0.053 0.000 2.176 597 G HA2 0.110 4.069 3.960 -0.002 0.000 0.232 597 G HA3 0.110 4.069 3.960 -0.002 0.000 0.232 597 G C 0.629 175.530 174.900 0.002 0.000 0.986 597 G CA 0.095 45.194 45.100 -0.002 0.000 0.643 597 G HN 1.700 nan 8.290 nan 0.000 0.522 598 A N -0.850 121.955 122.820 -0.025 0.000 2.560 598 A HA -0.157 4.162 4.320 -0.002 0.000 0.299 598 A C 0.881 178.475 177.584 0.015 0.000 1.484 598 A CA 2.154 54.182 52.037 -0.015 0.000 0.749 598 A CB -1.513 17.470 19.000 -0.030 0.000 1.072 598 A HN 1.190 nan 8.150 nan 0.000 0.426 599 R N -0.017 120.491 120.500 0.013 0.000 2.459 599 R HA 0.492 4.831 4.340 -0.002 0.000 0.281 599 R C 1.450 177.766 176.300 0.026 0.000 1.050 599 R CA 0.243 56.359 56.100 0.027 0.000 1.055 599 R CB 0.797 31.109 30.300 0.020 0.000 1.045 599 R HN 0.851 nan 8.270 nan 0.000 0.495 600 S N -1.080 114.642 115.700 0.037 0.000 2.526 600 S HA -0.015 4.454 4.470 -0.002 0.000 0.220 600 S C 0.858 175.477 174.600 0.033 0.000 1.017 600 S CA -0.303 57.919 58.200 0.036 0.000 0.930 600 S CB 0.203 63.433 63.200 0.049 0.000 0.856 600 S HN 0.699 nan 8.310 nan 0.000 0.497 601 T N 0.471 115.047 114.554 0.036 0.000 2.847 601 T HA 0.673 5.022 4.350 -0.002 0.000 0.279 601 T C -0.036 174.681 174.700 0.027 0.000 0.984 601 T CA -0.530 61.591 62.100 0.035 0.000 0.988 601 T CB 1.309 70.204 68.868 0.045 0.000 1.040 601 T HN 0.076 nan 8.240 nan 0.000 0.528 602 S N 0.172 115.889 115.700 0.028 0.000 2.578 602 S HA 0.729 5.197 4.470 -0.002 0.000 0.301 602 S C 0.052 174.671 174.600 0.031 0.000 1.091 602 S CA -0.852 57.364 58.200 0.025 0.000 1.032 602 S CB 1.300 64.515 63.200 0.025 0.000 1.064 602 S HN 1.103 nan 8.310 nan 0.000 0.508 603 A N 1.947 124.783 122.820 0.027 0.000 2.293 603 A HA 0.547 4.866 4.320 -0.002 0.000 0.302 603 A C 1.414 179.036 177.584 0.063 0.000 1.119 603 A CA -0.612 51.444 52.037 0.032 0.000 0.823 603 A CB -0.054 18.946 19.000 0.001 0.000 1.097 603 A HN 0.810 nan 8.150 nan 0.000 0.491 604 I N 0.901 121.533 120.570 0.104 0.000 2.113 604 I HA -0.335 3.833 4.170 -0.002 0.000 0.242 604 I C 2.012 178.208 176.117 0.132 0.000 1.057 604 I CA 2.852 64.225 61.300 0.122 0.000 1.314 604 I CB -1.308 36.790 38.000 0.162 0.000 1.022 604 I HN 0.959 nan 8.210 nan 0.000 0.408 605 D N 0.564 121.032 120.400 0.113 0.000 2.263 605 D HA -0.206 4.432 4.640 -0.002 0.000 0.208 605 D C 1.687 178.055 176.300 0.113 0.000 0.971 605 D CA 0.984 55.052 54.000 0.113 0.000 0.867 605 D CB -0.479 40.361 40.800 0.067 0.000 0.929 605 D HN 0.449 nan 8.370 nan 0.000 0.492 606 E N -0.549 119.698 120.200 0.078 0.000 2.482 606 E HA 0.087 4.436 4.350 -0.002 0.000 0.196 606 E C 1.276 177.911 176.600 0.058 0.000 1.047 606 E CA 0.307 56.740 56.400 0.056 0.000 0.869 606 E CB 0.189 29.909 29.700 0.034 0.000 0.836 606 E HN 0.458 nan 8.360 nan 0.000 0.520 607 L N -0.996 120.277 121.223 0.084 0.000 3.039 607 L HA 0.197 4.535 4.340 -0.002 0.000 0.269 607 L C 0.482 177.402 176.870 0.083 0.000 1.169 607 L CA -0.437 54.441 54.840 0.063 0.000 0.986 607 L CB 0.337 42.423 42.059 0.045 0.000 1.377 607 L HN 0.073 nan 8.230 nan 0.000 0.575 608 Y N 0.000 120.299 120.300 -0.002 0.000 2.660 608 Y HA 0.000 4.549 4.550 -0.002 0.000 0.201 608 Y CA 0.000 58.095 58.100 -0.008 0.000 1.940 608 Y CB 0.000 38.461 38.460 0.001 0.000 1.050 608 Y HN 0.000 nan 8.280 nan 0.000 0.758