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 2yvx_1_D DATA FIRST_RESID 7 DATA SEQUENCE VSLQEALQEG DTRALREVLE EIHPQDLLAL WDELKGEHRY VVLTLLPKAK DATA SEQUENCE AAEVLSHLSP EEQAEYLKTL PPWRLREILE ELSLDDLADA LQAVRKEDPA DATA SEQUENCE YFQRLKDLLD PRTRAEVEAL ARYEEDEAGG LMTPEYVAVR EGMTVEEVLR DATA SEQUENCE FLRRAAPDAE TIYYIYVVDE KGRLKGVLSL RDLIVADPRT RVAEIMNPKV DATA SEQUENCE VYVRTDTDQE EVARLMADYD FTVLPVVDEE GRLVGIVTVD DVLDVLEAEA DATA SEQUENCE TEDIHKLGAV DVPDLVYSEA GPVALWLARV RWLVILILTG MVTSSILQGF DATA SEQUENCE ESVLEAVTAL AFYVPVLLGT GGNTGNQSAT LIIRALATRD LDLRDWRRVF DATA SEQUENCE LKEMGVGLLL GLTLSFLLVG KVYWDGHPLL LPVVGVSLVL IVFFANLVGA DATA SEQUENCE MLPFLLRRLG VDPALVSNPL VATLSDVTGL LIYLSVARLL LE 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.108 176.094 0.023 0.000 1.182 7 V CA 0.000 62.317 62.300 0.028 0.000 1.235 7 V CB 0.000 31.841 31.823 0.030 0.000 1.184 8 S N 0.387 116.098 115.700 0.019 0.000 2.503 8 S HA 0.087 4.557 4.470 0.000 0.000 0.215 8 S C 1.731 176.335 174.600 0.007 0.000 1.003 8 S CA 0.582 58.790 58.200 0.014 0.000 0.910 8 S CB 0.360 63.568 63.200 0.012 0.000 0.790 8 S HN 0.535 nan 8.310 nan 0.000 0.514 9 L N 2.796 124.021 121.223 0.003 0.000 2.151 9 L HA -0.183 4.157 4.340 0.000 0.000 0.215 9 L C 1.620 178.471 176.870 -0.031 0.000 1.084 9 L CA 1.857 56.688 54.840 -0.015 0.000 0.764 9 L CB -0.778 41.272 42.059 -0.015 0.000 0.891 9 L HN 0.297 nan 8.230 nan 0.000 0.435 10 Q N -0.844 118.952 119.800 -0.007 0.000 2.594 10 Q HA -0.182 4.158 4.340 0.000 0.000 0.219 10 Q C 1.350 177.361 176.000 0.018 0.000 0.980 10 Q CA 0.787 56.597 55.803 0.011 0.000 0.962 10 Q CB -0.001 28.766 28.738 0.049 0.000 0.987 10 Q HN 0.661 nan 8.270 nan 0.000 0.553 11 E N 0.697 120.897 120.200 -0.000 0.000 2.182 11 E HA 0.103 4.453 4.350 0.000 0.000 0.195 11 E C 0.530 177.127 176.600 -0.005 0.000 0.933 11 E CA 0.644 57.048 56.400 0.006 0.000 0.940 11 E CB -0.082 29.622 29.700 0.006 0.000 0.945 11 E HN 0.151 nan 8.360 nan 0.000 0.477 12 A N 0.845 123.654 122.820 -0.018 0.000 2.900 12 A HA 0.332 4.652 4.320 0.000 0.000 0.246 12 A C 0.645 178.200 177.584 -0.049 0.000 1.725 12 A CA 0.365 52.388 52.037 -0.023 0.000 1.400 12 A CB -0.726 18.262 19.000 -0.020 0.000 0.973 12 A HN 0.366 nan 8.150 nan 0.000 0.635 13 L N -1.980 119.211 121.223 -0.054 0.000 4.478 13 L HA 0.148 4.488 4.340 0.000 0.000 0.444 13 L C 1.509 178.384 176.870 0.009 0.000 1.013 13 L CA 0.917 55.693 54.840 -0.105 0.000 1.688 13 L CB -0.481 41.381 42.059 -0.329 0.000 1.834 13 L HN 0.482 nan 8.230 nan 0.000 0.629 14 Q N 0.525 120.360 119.800 0.058 0.000 2.172 14 Q HA -0.167 4.173 4.340 0.000 0.000 0.200 14 Q C 1.467 177.513 176.000 0.077 0.000 0.964 14 Q CA 1.929 57.799 55.803 0.113 0.000 0.855 14 Q CB 0.182 28.968 28.738 0.079 0.000 0.918 14 Q HN 0.763 nan 8.270 nan 0.000 0.444 15 E N -1.306 118.921 120.200 0.045 0.000 2.358 15 E HA 0.028 4.378 4.350 0.000 0.000 0.195 15 E C 0.899 177.520 176.600 0.035 0.000 1.010 15 E CA 0.574 56.994 56.400 0.033 0.000 0.856 15 E CB -0.060 29.652 29.700 0.020 0.000 0.795 15 E HN 0.359 nan 8.360 nan 0.000 0.504 16 G N 1.926 110.750 108.800 0.040 0.000 2.273 16 G HA2 -0.293 3.667 3.960 0.000 0.000 0.280 16 G HA3 -0.293 3.667 3.960 0.000 0.000 0.280 16 G C 0.001 174.913 174.900 0.021 0.000 1.047 16 G CA 0.657 45.779 45.100 0.037 0.000 0.869 16 G HN 0.452 nan 8.290 nan 0.000 0.502 17 D N -1.325 119.083 120.400 0.012 0.000 2.357 17 D HA 0.415 5.055 4.640 0.000 0.000 0.284 17 D C 1.701 178.003 176.300 0.003 0.000 1.184 17 D CA 1.362 55.366 54.000 0.006 0.000 0.973 17 D CB 0.744 41.546 40.800 0.004 0.000 0.945 17 D HN 0.211 nan 8.370 nan 0.000 0.279 18 T N -1.440 113.114 114.554 -0.001 0.000 3.786 18 T HA 0.077 4.427 4.350 0.000 0.000 0.312 18 T C 1.631 176.330 174.700 -0.002 0.000 0.902 18 T CA -0.312 61.788 62.100 -0.001 0.000 1.133 18 T CB 0.525 69.391 68.868 -0.003 0.000 1.109 18 T HN 0.049 nan 8.240 nan 0.000 0.521 19 R N 2.179 122.677 120.500 -0.003 0.000 2.151 19 R HA 0.142 4.482 4.340 0.000 0.000 0.220 19 R C 2.640 178.937 176.300 -0.004 0.000 1.120 19 R CA 1.615 57.713 56.100 -0.003 0.000 0.882 19 R CB -0.802 29.496 30.300 -0.003 0.000 0.806 19 R HN 0.321 nan 8.270 nan 0.000 0.440 20 A N 1.078 123.895 122.820 -0.004 0.000 2.148 20 A HA -0.172 4.148 4.320 0.000 0.000 0.222 20 A C 2.044 179.622 177.584 -0.009 0.000 1.161 20 A CA 1.248 53.282 52.037 -0.005 0.000 0.662 20 A CB -0.449 18.548 19.000 -0.004 0.000 0.799 20 A HN 0.302 nan 8.150 nan 0.000 0.466 21 L N -0.696 120.520 121.223 -0.012 0.000 2.102 21 L HA 0.071 4.411 4.340 0.000 0.000 0.202 21 L C 2.239 179.101 176.870 -0.013 0.000 1.076 21 L CA 1.551 56.379 54.840 -0.019 0.000 0.761 21 L CB -0.602 41.442 42.059 -0.025 0.000 0.921 21 L HN 0.299 nan 8.230 nan 0.000 0.444 22 R N -0.230 120.267 120.500 -0.005 0.000 2.241 22 R HA -0.170 4.170 4.340 0.000 0.000 0.224 22 R C 1.925 178.224 176.300 -0.002 0.000 1.101 22 R CA 1.092 57.191 56.100 -0.001 0.000 0.995 22 R CB -0.185 30.118 30.300 0.005 0.000 0.870 22 R HN 0.571 nan 8.270 nan 0.000 0.463 23 E N 0.502 120.700 120.200 -0.004 0.000 2.347 23 E HA -0.097 4.253 4.350 0.000 0.000 0.196 23 E C 1.283 177.881 176.600 -0.004 0.000 1.008 23 E CA 0.653 57.051 56.400 -0.004 0.000 0.852 23 E CB 0.402 30.100 29.700 -0.003 0.000 0.783 23 E HN 0.094 nan 8.360 nan 0.000 0.505 24 V N 0.736 120.647 119.914 -0.006 0.000 2.581 24 V HA -0.030 4.090 4.120 0.000 0.000 0.240 24 V C 1.602 177.692 176.094 -0.006 0.000 1.054 24 V CA 0.429 62.725 62.300 -0.006 0.000 1.076 24 V CB -0.062 31.756 31.823 -0.009 0.000 0.748 24 V HN 0.249 nan 8.190 nan 0.000 0.474 25 L N 1.434 122.653 121.223 -0.007 0.000 2.974 25 L HA 0.112 4.452 4.340 0.000 0.000 0.250 25 L C 1.257 178.121 176.870 -0.011 0.000 1.376 25 L CA 0.677 55.513 54.840 -0.006 0.000 1.170 25 L CB -0.485 41.572 42.059 -0.002 0.000 1.577 25 L HN 0.395 nan 8.230 nan 0.000 0.429 26 E N -0.241 119.949 120.200 -0.016 0.000 2.552 26 E HA -0.010 4.340 4.350 0.000 0.000 0.189 26 E C 1.062 177.642 176.600 -0.033 0.000 0.970 26 E CA 0.241 56.627 56.400 -0.024 0.000 1.571 26 E CB 0.488 30.179 29.700 -0.015 0.000 2.223 26 E HN 0.344 nan 8.360 nan 0.000 1.018 27 E N 0.601 120.788 120.200 -0.023 0.000 2.526 27 E HA 0.240 4.590 4.350 0.000 0.000 0.208 27 E C 0.371 176.964 176.600 -0.012 0.000 0.997 27 E CA 0.042 56.430 56.400 -0.019 0.000 0.961 27 E CB 1.202 30.899 29.700 -0.005 0.000 1.030 27 E HN 0.370 nan 8.360 nan 0.000 0.483 28 I N -1.431 119.132 120.570 -0.011 0.000 2.404 28 I HA 0.391 4.561 4.170 0.000 0.000 0.293 28 I C 0.084 176.209 176.117 0.013 0.000 0.992 28 I CA -0.912 60.400 61.300 0.020 0.000 1.149 28 I CB 1.409 39.427 38.000 0.031 0.000 1.315 28 I HN -0.182 nan 8.210 nan 0.000 0.446 29 H N 6.697 125.778 119.070 0.017 0.000 2.848 29 H HA 0.168 4.724 4.556 0.000 0.000 0.341 29 H C -1.749 173.589 175.328 0.017 0.000 1.060 29 H CA -1.091 54.967 56.048 0.018 0.000 1.444 29 H CB 1.785 31.561 29.762 0.023 0.000 1.446 29 H HN 0.509 nan 8.280 nan 0.000 0.583 30 P HA -0.235 nan 4.420 nan 0.000 0.218 30 P C 1.440 178.802 177.300 0.102 0.000 1.154 30 P CA 1.362 64.519 63.100 0.095 0.000 0.872 30 P CB 0.460 32.194 31.700 0.056 0.000 0.790 31 Q N -0.695 119.189 119.800 0.139 0.000 2.050 31 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 31 Q C 1.901 177.951 176.000 0.083 0.000 0.980 31 Q CA 1.392 57.251 55.803 0.094 0.000 0.840 31 Q CB -1.338 27.433 28.738 0.055 0.000 0.898 31 Q HN 0.304 nan 8.270 nan 0.000 0.424 32 D N 0.512 120.968 120.400 0.093 0.000 2.170 32 D HA -0.181 4.459 4.640 0.000 0.000 0.193 32 D C 1.970 178.323 176.300 0.088 0.000 1.004 32 D CA 0.813 54.862 54.000 0.081 0.000 0.860 32 D CB -0.176 40.676 40.800 0.087 0.000 0.931 32 D HN 0.123 nan 8.370 nan 0.000 0.448 33 L N 0.338 121.618 121.223 0.096 0.000 2.005 33 L HA -0.090 4.250 4.340 0.000 0.000 0.207 33 L C 2.321 179.290 176.870 0.164 0.000 1.072 33 L CA 1.344 56.255 54.840 0.119 0.000 0.744 33 L CB -0.536 41.588 42.059 0.109 0.000 0.895 33 L HN 0.050 nan 8.230 nan 0.000 0.433 34 L N -0.575 120.716 121.223 0.113 0.000 2.129 34 L HA -0.247 4.093 4.340 0.000 0.000 0.212 34 L C 2.611 179.559 176.870 0.129 0.000 1.087 34 L CA 1.124 56.013 54.840 0.081 0.000 0.757 34 L CB -0.853 41.205 42.059 -0.003 0.000 0.896 34 L HN 0.444 nan 8.230 nan 0.000 0.434 35 A N -0.050 122.835 122.820 0.108 0.000 1.898 35 A HA -0.108 4.212 4.320 0.000 0.000 0.216 35 A C 1.943 179.601 177.584 0.124 0.000 1.181 35 A CA 1.250 53.344 52.037 0.096 0.000 0.620 35 A CB -0.447 18.595 19.000 0.069 0.000 0.819 35 A HN 0.427 nan 8.150 nan 0.000 0.442 36 L N -0.934 120.371 121.223 0.136 0.000 2.685 36 L HA 0.051 4.391 4.340 0.000 0.000 0.233 36 L C 1.891 178.860 176.870 0.165 0.000 1.173 36 L CA -0.394 54.520 54.840 0.124 0.000 0.961 36 L CB -0.203 41.909 42.059 0.088 0.000 1.217 36 L HN 0.777 nan 8.230 nan 0.000 0.478 37 W N 2.623 123.931 121.300 0.012 0.000 2.441 37 W HA -0.145 4.515 4.660 0.000 0.000 0.302 37 W C 1.628 178.148 176.519 0.003 0.000 1.191 37 W CA 1.666 59.010 57.345 -0.002 0.000 1.327 37 W CB -0.155 29.293 29.460 -0.021 0.000 1.128 37 W HN 0.423 nan 8.180 nan 0.000 0.522 38 D N 0.246 120.861 120.400 0.358 0.000 2.378 38 D HA -0.153 4.487 4.640 0.000 0.000 0.227 38 D C 0.574 176.902 176.300 0.046 0.000 1.012 38 D CA 0.682 54.798 54.000 0.193 0.000 0.905 38 D CB -0.589 40.371 40.800 0.267 0.000 0.895 38 D HN 0.368 nan 8.370 nan 0.000 0.532 39 E N 0.121 120.342 120.200 0.035 0.000 2.499 39 E HA 0.261 4.611 4.350 0.000 0.000 0.199 39 E C 0.321 176.910 176.600 -0.017 0.000 1.016 39 E CA -0.233 56.178 56.400 0.018 0.000 0.933 39 E CB 0.981 30.708 29.700 0.046 0.000 1.050 39 E HN 0.312 nan 8.360 nan 0.000 0.462 40 L N 0.561 121.729 121.223 -0.091 0.000 2.421 40 L HA 0.453 4.793 4.340 0.000 0.000 0.267 40 L C 0.102 176.896 176.870 -0.126 0.000 1.036 40 L CA -0.910 53.869 54.840 -0.101 0.000 0.829 40 L CB 1.282 43.231 42.059 -0.183 0.000 1.437 40 L HN -0.129 nan 8.230 nan 0.000 0.488 41 K N -0.652 119.680 120.400 -0.113 0.000 2.156 41 K HA 0.319 4.639 4.320 0.000 0.000 0.250 41 K C 0.717 177.264 176.600 -0.088 0.000 0.955 41 K CA -0.464 55.753 56.287 -0.116 0.000 0.855 41 K CB 1.354 33.751 32.500 -0.171 0.000 1.101 41 K HN 0.712 nan 8.250 nan 0.000 0.434 42 G N 1.369 110.140 108.800 -0.049 0.000 2.615 42 G HA2 -0.238 3.722 3.960 0.000 0.000 0.213 42 G HA3 -0.238 3.722 3.960 0.000 0.000 0.213 42 G C 0.642 175.591 174.900 0.082 0.000 1.135 42 G CA 0.989 46.101 45.100 0.020 0.000 0.772 42 G HN 0.681 nan 8.290 nan 0.000 0.542 43 E N -0.957 119.268 120.200 0.042 0.000 2.134 43 E HA 0.137 4.487 4.350 0.000 0.000 0.194 43 E C 1.965 178.657 176.600 0.155 0.000 0.937 43 E CA -0.024 56.433 56.400 0.096 0.000 0.874 43 E CB -0.207 29.499 29.700 0.009 0.000 0.853 43 E HN 0.558 nan 8.360 nan 0.000 0.471 44 H N 0.698 119.770 119.070 0.003 0.000 2.289 44 H HA -0.096 4.460 4.556 0.000 0.000 0.296 44 H C 2.221 177.527 175.328 -0.037 0.000 1.091 44 H CA 1.256 57.291 56.048 -0.022 0.000 1.274 44 H CB 0.168 29.903 29.762 -0.045 0.000 1.364 44 H HN -0.066 nan 8.280 nan 0.000 0.490 45 R N -0.020 120.496 120.500 0.028 0.000 2.103 45 R HA -0.213 4.127 4.340 0.000 0.000 0.234 45 R C 2.128 178.479 176.300 0.084 0.000 1.132 45 R CA 1.799 57.813 56.100 -0.143 0.000 0.925 45 R CB -0.603 29.350 30.300 -0.578 0.000 0.842 45 R HN 0.342 nan 8.270 nan 0.000 0.430 46 Y N 0.372 120.772 120.300 0.167 0.000 2.651 46 Y HA -0.143 4.407 4.550 0.000 0.000 0.293 46 Y C 1.419 177.418 175.900 0.165 0.000 1.151 46 Y CA 0.697 58.967 58.100 0.285 0.000 1.362 46 Y CB 0.140 38.741 38.460 0.234 0.000 0.973 46 Y HN -0.121 nan 8.280 nan 0.000 0.561 47 V N -2.121 117.775 119.914 -0.030 0.000 3.379 47 V HA -0.083 4.037 4.120 0.000 0.000 0.249 47 V C 1.880 177.949 176.094 -0.041 0.000 1.184 47 V CA 1.032 63.280 62.300 -0.087 0.000 1.106 47 V CB 0.459 32.289 31.823 0.011 0.000 0.826 47 V HN 0.163 nan 8.190 nan 0.000 0.465 48 V N -0.133 119.777 119.914 -0.005 0.000 2.535 48 V HA -0.018 4.102 4.120 0.000 0.000 0.246 48 V C 1.830 177.940 176.094 0.026 0.000 1.045 48 V CA 1.079 63.381 62.300 0.005 0.000 1.058 48 V CB -0.367 31.461 31.823 0.008 0.000 0.689 48 V HN 0.409 nan 8.190 nan 0.000 0.461 49 L N 0.786 122.042 121.223 0.054 0.000 2.762 49 L HA 0.023 4.363 4.340 0.000 0.000 0.250 49 L C 0.819 177.686 176.870 -0.004 0.000 1.160 49 L CA 0.749 55.629 54.840 0.066 0.000 0.951 49 L CB -0.831 41.321 42.059 0.155 0.000 1.148 49 L HN 0.364 nan 8.230 nan 0.000 0.424 50 T N -1.670 112.871 114.554 -0.021 0.000 3.475 50 T HA 0.164 4.514 4.350 0.000 0.000 0.310 50 T C 0.648 175.390 174.700 0.070 0.000 0.963 50 T CA -0.189 61.888 62.100 -0.039 0.000 0.985 50 T CB 0.772 69.617 68.868 -0.039 0.000 1.198 50 T HN 0.041 nan 8.240 nan 0.000 0.508 51 L N -0.034 121.217 121.223 0.046 0.000 2.664 51 L HA 0.589 4.929 4.340 0.000 0.000 0.198 51 L C 0.263 177.161 176.870 0.046 0.000 1.057 51 L CA 0.311 55.191 54.840 0.066 0.000 0.871 51 L CB 0.022 42.103 42.059 0.038 0.000 1.364 51 L HN 0.204 nan 8.230 nan 0.000 0.483 52 L N 2.658 123.894 121.223 0.022 0.000 2.536 52 L HA 0.019 4.359 4.340 0.000 0.000 0.294 52 L C -1.725 175.152 176.870 0.010 0.000 1.257 52 L CA -0.963 53.883 54.840 0.010 0.000 0.850 52 L CB -0.065 41.995 42.059 0.001 0.000 1.105 52 L HN 0.133 nan 8.230 nan 0.000 0.517 53 P HA -0.001 nan 4.420 nan 0.000 0.270 53 P C -0.103 177.194 177.300 -0.006 0.000 1.223 53 P CA -0.223 62.880 63.100 0.006 0.000 0.785 53 P CB 0.521 32.219 31.700 -0.004 0.000 0.923 54 K N 1.399 121.798 120.400 -0.001 0.000 2.071 54 K HA -0.266 4.054 4.320 0.000 0.000 0.217 54 K C 2.054 178.639 176.600 -0.026 0.000 1.054 54 K CA 2.355 58.634 56.287 -0.014 0.000 0.937 54 K CB -0.975 31.523 32.500 -0.004 0.000 0.719 54 K HN 0.507 nan 8.250 nan 0.000 0.454 55 A N 2.026 124.832 122.820 -0.023 0.000 1.829 55 A HA -0.227 4.093 4.320 0.000 0.000 0.216 55 A C 2.029 179.587 177.584 -0.044 0.000 1.207 55 A CA 1.865 53.883 52.037 -0.031 0.000 0.622 55 A CB -0.546 18.438 19.000 -0.026 0.000 0.846 55 A HN 0.226 nan 8.150 nan 0.000 0.447 56 K N -0.388 119.985 120.400 -0.044 0.000 2.059 56 K HA -0.219 4.101 4.320 0.000 0.000 0.212 56 K C 2.299 178.865 176.600 -0.057 0.000 1.050 56 K CA 1.434 57.690 56.287 -0.051 0.000 0.927 56 K CB -0.470 32.004 32.500 -0.043 0.000 0.714 56 K HN 0.481 nan 8.250 nan 0.000 0.447 57 A N 1.514 124.307 122.820 -0.044 0.000 1.908 57 A HA -0.152 4.168 4.320 0.000 0.000 0.218 57 A C 2.412 179.956 177.584 -0.067 0.000 1.181 57 A CA 2.002 54.013 52.037 -0.044 0.000 0.627 57 A CB -0.695 18.282 19.000 -0.038 0.000 0.818 57 A HN 0.378 nan 8.150 nan 0.000 0.445 58 A N -0.454 122.325 122.820 -0.068 0.000 1.902 58 A HA -0.125 4.195 4.320 0.000 0.000 0.217 58 A C 1.974 179.486 177.584 -0.121 0.000 1.181 58 A CA 2.112 54.105 52.037 -0.074 0.000 0.623 58 A CB -0.503 18.464 19.000 -0.054 0.000 0.818 58 A HN 0.566 nan 8.150 nan 0.000 0.443 59 E N 0.029 120.138 120.200 -0.151 0.000 2.023 59 E HA -0.141 4.209 4.350 0.000 0.000 0.196 59 E C 1.738 178.085 176.600 -0.421 0.000 1.003 59 E CA 1.769 58.001 56.400 -0.280 0.000 0.809 59 E CB -0.520 29.043 29.700 -0.227 0.000 0.755 59 E HN 0.192 nan 8.360 nan 0.000 0.449 60 V N 1.312 121.056 119.914 -0.283 0.000 2.636 60 V HA -0.270 3.850 4.120 0.000 0.000 0.258 60 V C 2.310 178.220 176.094 -0.306 0.000 1.092 60 V CA 1.744 63.884 62.300 -0.266 0.000 1.110 60 V CB -0.955 30.782 31.823 -0.143 0.000 0.685 60 V HN 0.445 nan 8.190 nan 0.000 0.481 61 L N -1.380 119.699 121.223 -0.241 0.000 2.102 61 L HA 0.113 4.453 4.340 0.000 0.000 0.202 61 L C 2.222 179.002 176.870 -0.149 0.000 1.076 61 L CA 1.881 56.600 54.840 -0.200 0.000 0.761 61 L CB -1.262 40.737 42.059 -0.100 0.000 0.921 61 L HN 0.013 nan 8.230 nan 0.000 0.444 62 S N -0.837 114.790 115.700 -0.122 0.000 2.500 62 S HA -0.098 4.372 4.470 0.000 0.000 0.239 62 S C 0.860 175.540 174.600 0.133 0.000 0.989 62 S CA 0.946 59.142 58.200 -0.006 0.000 0.951 62 S CB -0.926 62.285 63.200 0.017 0.000 0.759 62 S HN 0.666 nan 8.310 nan 0.000 0.523 63 H N 0.081 119.077 119.070 -0.123 0.000 2.539 63 H HA 0.420 4.976 4.556 0.000 0.000 0.293 63 H C -0.586 174.615 175.328 -0.213 0.000 1.156 63 H CA -0.370 55.598 56.048 -0.134 0.000 1.012 63 H CB 0.070 29.760 29.762 -0.120 0.000 1.600 63 H HN 0.157 nan 8.280 nan 0.000 0.538 64 L N 0.527 121.689 121.223 -0.102 0.000 2.388 64 L HA 0.285 4.625 4.340 0.000 0.000 0.264 64 L C 0.125 176.946 176.870 -0.082 0.000 0.998 64 L CA -0.983 53.735 54.840 -0.204 0.000 0.817 64 L CB 2.351 44.184 42.059 -0.378 0.000 1.338 64 L HN 0.178 nan 8.230 nan 0.000 0.414 65 S N 3.047 118.718 115.700 -0.048 0.000 2.599 65 S HA -0.034 4.436 4.470 0.000 0.000 0.303 65 S C -1.373 173.238 174.600 0.019 0.000 1.267 65 S CA -0.719 57.485 58.200 0.007 0.000 1.055 65 S CB 0.340 63.565 63.200 0.042 0.000 0.790 65 S HN 0.534 nan 8.310 nan 0.000 0.500 66 P HA -0.206 nan 4.420 nan 0.000 0.217 66 P C 0.867 178.190 177.300 0.038 0.000 1.148 66 P CA 1.419 64.535 63.100 0.027 0.000 0.834 66 P CB 0.229 31.943 31.700 0.023 0.000 0.783 67 E N -0.433 119.794 120.200 0.045 0.000 2.112 67 E HA -0.106 4.244 4.350 0.000 0.000 0.190 67 E C 2.079 178.734 176.600 0.091 0.000 0.979 67 E CA 0.515 56.947 56.400 0.053 0.000 0.814 67 E CB -0.188 29.541 29.700 0.049 0.000 0.762 67 E HN 0.245 nan 8.360 nan 0.000 0.460 68 E N 0.925 121.194 120.200 0.115 0.000 2.268 68 E HA -0.139 4.211 4.350 0.000 0.000 0.195 68 E C 1.871 178.601 176.600 0.217 0.000 0.995 68 E CA 0.728 57.251 56.400 0.205 0.000 0.836 68 E CB 0.078 29.894 29.700 0.193 0.000 0.763 68 E HN 0.377 nan 8.360 nan 0.000 0.491 69 Q N 0.158 120.025 119.800 0.112 0.000 1.922 69 Q HA -0.005 4.335 4.340 0.000 0.000 0.201 69 Q C 2.196 178.276 176.000 0.132 0.000 0.979 69 Q CA 1.152 57.014 55.803 0.098 0.000 0.841 69 Q CB -0.248 28.518 28.738 0.047 0.000 0.903 69 Q HN 0.208 nan 8.270 nan 0.000 0.431 70 A N 0.962 123.831 122.820 0.082 0.000 2.139 70 A HA -0.244 4.076 4.320 0.000 0.000 0.221 70 A C 1.798 179.384 177.584 0.004 0.000 1.159 70 A CA 1.731 53.793 52.037 0.042 0.000 0.662 70 A CB -0.424 18.583 19.000 0.012 0.000 0.796 70 A HN 0.318 nan 8.150 nan 0.000 0.463 71 E N -0.988 119.255 120.200 0.071 0.000 2.072 71 E HA -0.112 4.238 4.350 0.000 0.000 0.190 71 E C 0.578 177.139 176.600 -0.065 0.000 0.982 71 E CA 1.131 57.540 56.400 0.016 0.000 0.803 71 E CB -0.296 29.488 29.700 0.141 0.000 0.755 71 E HN 0.686 nan 8.360 nan 0.000 0.453 72 Y N -0.299 120.043 120.300 0.071 0.000 2.645 72 Y HA 0.275 4.825 4.550 0.000 0.000 0.307 72 Y C 0.687 176.645 175.900 0.097 0.000 1.151 72 Y CA 0.073 58.241 58.100 0.113 0.000 1.291 72 Y CB 0.379 38.976 38.460 0.227 0.000 1.135 72 Y HN 0.025 nan 8.280 nan 0.000 0.523 73 L N -1.124 120.168 121.223 0.115 0.000 2.858 73 L HA 0.198 4.538 4.340 0.000 0.000 0.251 73 L C 1.368 178.301 176.870 0.106 0.000 1.149 73 L CA 0.347 55.267 54.840 0.132 0.000 0.955 73 L CB 0.380 42.523 42.059 0.140 0.000 1.289 73 L HN 0.021 nan 8.230 nan 0.000 0.542 74 K N -0.734 119.619 120.400 -0.079 0.000 2.412 74 K HA 0.100 4.420 4.320 0.000 0.000 0.202 74 K C 1.719 178.267 176.600 -0.087 0.000 1.102 74 K CA 0.755 56.938 56.287 -0.173 0.000 1.027 74 K CB 0.865 33.086 32.500 -0.466 0.000 0.931 74 K HN 0.229 nan 8.250 nan 0.000 0.557 75 T N -1.251 113.223 114.554 -0.134 0.000 3.044 75 T HA 0.160 4.510 4.350 0.000 0.000 0.237 75 T C 0.865 175.667 174.700 0.170 0.000 1.001 75 T CA -0.378 61.574 62.100 -0.248 0.000 1.160 75 T CB -0.083 68.349 68.868 -0.727 0.000 0.889 75 T HN -0.170 nan 8.240 nan 0.000 0.442 76 L N 4.340 125.789 121.223 0.376 0.000 2.628 76 L HA 0.145 4.486 4.340 0.000 0.000 0.292 76 L C -1.826 175.177 176.870 0.222 0.000 1.250 76 L CA -0.449 54.641 54.840 0.418 0.000 0.892 76 L CB -0.420 41.773 42.059 0.223 0.000 1.138 76 L HN 0.337 nan 8.230 nan 0.000 0.502 77 P HA 0.042 nan 4.420 nan 0.000 0.263 77 P C -2.015 175.257 177.300 -0.047 0.000 1.195 77 P CA -1.173 61.981 63.100 0.089 0.000 0.762 77 P CB 0.080 31.863 31.700 0.140 0.000 0.799 78 P HA -0.141 nan 4.420 nan 0.000 0.226 78 P C 1.426 178.760 177.300 0.058 0.000 1.146 78 P CA 1.359 64.490 63.100 0.052 0.000 0.773 78 P CB -0.433 31.319 31.700 0.086 0.000 0.772 79 W N 0.907 122.231 121.300 0.041 0.000 2.800 79 W HA 0.137 4.797 4.660 0.000 0.000 0.249 79 W C 1.493 178.028 176.519 0.027 0.000 1.294 79 W CA 0.044 57.405 57.345 0.026 0.000 1.402 79 W CB -1.081 28.391 29.460 0.020 0.000 1.126 79 W HN -0.045 nan 8.180 nan 0.000 0.652 80 R N 0.893 120.925 120.500 -0.780 0.000 2.282 80 R HA 0.123 4.463 4.340 0.000 0.000 0.195 80 R C 2.194 178.298 176.300 -0.325 0.000 0.909 80 R CA 0.107 55.722 56.100 -0.808 0.000 1.039 80 R CB -0.227 29.384 30.300 -1.148 0.000 1.015 80 R HN 0.127 nan 8.270 nan 0.000 0.513 81 L N 1.162 122.270 121.223 -0.193 0.000 1.961 81 L HA -0.169 4.171 4.340 0.000 0.000 0.210 81 L C 2.461 179.299 176.870 -0.054 0.000 1.072 81 L CA 1.931 56.724 54.840 -0.080 0.000 0.749 81 L CB -0.647 41.396 42.059 -0.026 0.000 0.889 81 L HN 0.238 nan 8.230 nan 0.000 0.432 82 R N 0.109 120.588 120.500 -0.035 0.000 2.377 82 R HA -0.143 4.197 4.340 0.000 0.000 0.207 82 R C 1.851 178.141 176.300 -0.017 0.000 1.075 82 R CA 1.075 57.165 56.100 -0.017 0.000 1.035 82 R CB -0.256 30.044 30.300 0.000 0.000 0.857 82 R HN 0.441 nan 8.270 nan 0.000 0.475 83 E N 1.390 121.566 120.200 -0.040 0.000 2.110 83 E HA -0.006 4.344 4.350 0.000 0.000 0.193 83 E C 1.847 178.420 176.600 -0.045 0.000 0.950 83 E CA 0.667 57.045 56.400 -0.035 0.000 0.840 83 E CB 0.034 29.700 29.700 -0.057 0.000 0.809 83 E HN 0.466 nan 8.360 nan 0.000 0.465 84 I N 1.509 122.038 120.570 -0.070 0.000 2.286 84 I HA -0.203 3.967 4.170 0.000 0.000 0.245 84 I C 2.496 178.594 176.117 -0.030 0.000 1.104 84 I CA 0.547 61.815 61.300 -0.053 0.000 1.397 84 I CB -0.238 37.725 38.000 -0.063 0.000 1.072 84 I HN 0.083 nan 8.210 nan 0.000 0.417 85 L N 0.343 121.552 121.223 -0.022 0.000 2.263 85 L HA -0.208 4.132 4.340 0.000 0.000 0.216 85 L C 2.452 179.316 176.870 -0.010 0.000 1.111 85 L CA 1.041 55.877 54.840 -0.008 0.000 0.773 85 L CB -0.567 41.490 42.059 -0.004 0.000 0.906 85 L HN 0.320 nan 8.230 nan 0.000 0.439 86 E N 0.202 120.394 120.200 -0.014 0.000 2.065 86 E HA -0.135 4.215 4.350 0.000 0.000 0.191 86 E C 1.578 178.171 176.600 -0.011 0.000 0.960 86 E CA 0.549 56.942 56.400 -0.011 0.000 0.824 86 E CB 0.038 29.732 29.700 -0.010 0.000 0.793 86 E HN 0.263 nan 8.360 nan 0.000 0.459 87 E N 0.830 121.022 120.200 -0.014 0.000 2.428 87 E HA -0.054 4.296 4.350 0.000 0.000 0.199 87 E C -0.542 176.047 176.600 -0.018 0.000 1.172 87 E CA -0.008 56.383 56.400 -0.014 0.000 0.941 87 E CB -0.408 29.283 29.700 -0.016 0.000 1.001 87 E HN -0.139 nan 8.360 nan 0.000 0.501 88 L N 0.528 121.742 121.223 -0.015 0.000 2.325 88 L HA 0.397 4.737 4.340 0.000 0.000 0.281 88 L C -0.502 176.366 176.870 -0.003 0.000 1.004 88 L CA -0.368 54.463 54.840 -0.014 0.000 0.823 88 L CB 1.580 43.631 42.059 -0.014 0.000 1.236 88 L HN -0.129 nan 8.230 nan 0.000 0.415 89 S N 4.620 120.321 115.700 0.003 0.000 2.571 89 S HA 0.002 4.472 4.470 0.000 0.000 0.298 89 S C 1.558 176.169 174.600 0.018 0.000 1.280 89 S CA -0.058 58.150 58.200 0.015 0.000 1.052 89 S CB 0.317 63.534 63.200 0.028 0.000 0.799 89 S HN 0.707 nan 8.310 nan 0.000 0.501 90 L N 2.186 123.420 121.223 0.018 0.000 2.017 90 L HA -0.185 4.155 4.340 0.000 0.000 0.208 90 L C 2.648 179.538 176.870 0.033 0.000 1.073 90 L CA 1.713 56.565 54.840 0.020 0.000 0.745 90 L CB -0.555 41.511 42.059 0.012 0.000 0.894 90 L HN 0.816 nan 8.230 nan 0.000 0.432 91 D N -0.333 120.091 120.400 0.040 0.000 2.097 91 D HA -0.255 4.385 4.640 0.000 0.000 0.195 91 D C 1.396 177.724 176.300 0.047 0.000 0.989 91 D CA 1.685 55.715 54.000 0.048 0.000 0.827 91 D CB -0.501 40.330 40.800 0.052 0.000 0.966 91 D HN 0.327 nan 8.370 nan 0.000 0.456 92 D N 0.465 120.893 120.400 0.046 0.000 2.178 92 D HA -0.117 4.523 4.640 0.000 0.000 0.201 92 D C 2.259 178.583 176.300 0.041 0.000 0.980 92 D CA 0.471 54.499 54.000 0.047 0.000 0.842 92 D CB -0.150 40.679 40.800 0.049 0.000 0.948 92 D HN 0.283 nan 8.370 nan 0.000 0.472 93 L N 1.150 122.396 121.223 0.038 0.000 1.993 93 L HA -0.006 4.334 4.340 0.000 0.000 0.206 93 L C 2.290 179.194 176.870 0.056 0.000 1.074 93 L CA 1.888 56.752 54.840 0.041 0.000 0.746 93 L CB -0.960 41.118 42.059 0.032 0.000 0.896 93 L HN -0.022 nan 8.230 nan 0.000 0.435 94 A N -0.142 122.712 122.820 0.056 0.000 1.882 94 A HA -0.373 3.947 4.320 0.000 0.000 0.220 94 A C 2.100 179.726 177.584 0.070 0.000 1.253 94 A CA 2.600 54.678 52.037 0.068 0.000 0.664 94 A CB -1.454 17.583 19.000 0.062 0.000 0.838 94 A HN 0.664 nan 8.150 nan 0.000 0.460 95 D N -0.511 119.924 120.400 0.057 0.000 2.104 95 D HA -0.086 4.554 4.640 0.000 0.000 0.194 95 D C 2.322 178.650 176.300 0.048 0.000 0.994 95 D CA 1.654 55.683 54.000 0.048 0.000 0.830 95 D CB -0.466 40.358 40.800 0.040 0.000 0.959 95 D HN 0.481 nan 8.370 nan 0.000 0.452 96 A N 1.101 123.952 122.820 0.051 0.000 1.877 96 A HA -0.139 4.181 4.320 0.000 0.000 0.216 96 A C 2.433 180.061 177.584 0.072 0.000 1.186 96 A CA 0.865 52.933 52.037 0.052 0.000 0.620 96 A CB -0.934 18.092 19.000 0.045 0.000 0.822 96 A HN 0.199 nan 8.150 nan 0.000 0.443 97 L N -0.635 120.644 121.223 0.093 0.000 2.081 97 L HA -0.309 4.031 4.340 0.000 0.000 0.212 97 L C 2.931 179.898 176.870 0.163 0.000 1.080 97 L CA 1.845 56.773 54.840 0.147 0.000 0.754 97 L CB -0.384 41.774 42.059 0.166 0.000 0.893 97 L HN 0.540 nan 8.230 nan 0.000 0.433 98 Q N -1.086 118.771 119.800 0.096 0.000 2.167 98 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 98 Q C 2.370 178.361 176.000 -0.014 0.000 0.970 98 Q CA 1.165 56.971 55.803 0.004 0.000 0.855 98 Q CB -0.227 28.505 28.738 -0.009 0.000 0.911 98 Q HN 0.588 nan 8.270 nan 0.000 0.438 99 A N 0.716 123.549 122.820 0.022 0.000 1.927 99 A HA -0.216 4.104 4.320 0.000 0.000 0.220 99 A C 2.335 179.926 177.584 0.013 0.000 1.185 99 A CA 1.828 53.875 52.037 0.017 0.000 0.639 99 A CB -0.865 18.155 19.000 0.033 0.000 0.820 99 A HN 0.235 nan 8.150 nan 0.000 0.451 100 V N 0.344 120.284 119.914 0.043 0.000 2.295 100 V HA -0.288 3.832 4.120 0.000 0.000 0.246 100 V C 2.596 178.701 176.094 0.018 0.000 1.049 100 V CA 2.222 64.554 62.300 0.053 0.000 1.024 100 V CB -1.002 30.917 31.823 0.160 0.000 0.648 100 V HN 0.753 nan 8.190 nan 0.000 0.447 101 R N 1.237 121.709 120.500 -0.047 0.000 2.140 101 R HA -0.275 4.065 4.340 0.000 0.000 0.250 101 R C 2.134 178.359 176.300 -0.124 0.000 1.150 101 R CA 2.211 58.190 56.100 -0.203 0.000 0.966 101 R CB -0.342 29.656 30.300 -0.503 0.000 0.869 101 R HN 0.539 nan 8.270 nan 0.000 0.445 102 K N -0.267 120.082 120.400 -0.085 0.000 2.515 102 K HA -0.108 4.212 4.320 0.000 0.000 0.196 102 K C 1.253 177.833 176.600 -0.034 0.000 1.038 102 K CA 1.488 57.742 56.287 -0.055 0.000 0.967 102 K CB 0.137 32.616 32.500 -0.035 0.000 0.780 102 K HN 0.506 nan 8.250 nan 0.000 0.483 103 E N -0.141 120.042 120.200 -0.029 0.000 2.357 103 E HA 0.035 4.385 4.350 0.000 0.000 0.202 103 E C -0.010 176.584 176.600 -0.010 0.000 0.855 103 E CA 0.062 56.447 56.400 -0.024 0.000 1.048 103 E CB 0.635 30.310 29.700 -0.040 0.000 1.037 103 E HN 0.012 nan 8.360 nan 0.000 0.499 104 D N 0.842 121.252 120.400 0.017 0.000 2.346 104 D HA 0.103 4.743 4.640 0.000 0.000 0.255 104 D C -2.081 174.296 176.300 0.127 0.000 1.276 104 D CA -2.020 52.023 54.000 0.073 0.000 0.941 104 D CB 1.441 42.301 40.800 0.100 0.000 1.199 104 D HN -0.128 nan 8.370 nan 0.000 0.537 105 P HA -0.063 nan 4.420 nan 0.000 0.229 105 P C 0.745 178.160 177.300 0.192 0.000 1.150 105 P CA 0.474 63.634 63.100 0.100 0.000 0.765 105 P CB 0.586 32.315 31.700 0.049 0.000 0.783 106 A N -1.102 121.828 122.820 0.183 0.000 1.938 106 A HA -0.019 4.301 4.320 0.000 0.000 0.207 106 A C 2.176 179.873 177.584 0.188 0.000 1.292 106 A CA 0.135 52.269 52.037 0.161 0.000 0.700 106 A CB -1.524 17.545 19.000 0.116 0.000 0.947 106 A HN -0.025 nan 8.150 nan 0.000 0.476 107 Y N -0.247 120.111 120.300 0.097 0.000 2.173 107 Y HA -0.327 4.223 4.550 0.000 0.000 0.282 107 Y C 1.956 177.932 175.900 0.127 0.000 1.192 107 Y CA 2.209 60.361 58.100 0.086 0.000 1.176 107 Y CB -0.408 38.097 38.460 0.075 0.000 0.969 107 Y HN 0.414 nan 8.280 nan 0.000 0.519 108 F N 0.817 120.858 119.950 0.152 0.000 1.997 108 F HA -0.318 4.209 4.527 0.000 0.000 0.296 108 F C 2.618 178.426 175.800 0.014 0.000 1.160 108 F CA 2.396 60.446 58.000 0.084 0.000 1.176 108 F CB -1.301 37.741 39.000 0.070 0.000 0.964 108 F HN 0.093 nan 8.300 nan 0.000 0.484 109 Q N 0.220 119.953 119.800 -0.111 0.000 2.197 109 Q HA -0.269 4.071 4.340 0.000 0.000 0.211 109 Q C 2.471 178.347 176.000 -0.207 0.000 0.993 109 Q CA 2.403 58.055 55.803 -0.251 0.000 0.883 109 Q CB -0.309 28.404 28.738 -0.041 0.000 0.916 109 Q HN 0.490 nan 8.270 nan 0.000 0.418 110 R N -0.600 119.809 120.500 -0.151 0.000 2.048 110 R HA 0.012 4.352 4.340 0.000 0.000 0.224 110 R C 2.313 178.478 176.300 -0.224 0.000 1.163 110 R CA 0.985 56.975 56.100 -0.183 0.000 0.956 110 R CB -0.490 29.685 30.300 -0.208 0.000 0.849 110 R HN 0.404 nan 8.270 nan 0.000 0.435 111 L N 1.722 122.773 121.223 -0.287 0.000 2.189 111 L HA -0.235 4.105 4.340 0.000 0.000 0.214 111 L C 2.481 179.268 176.870 -0.140 0.000 1.097 111 L CA 1.516 56.220 54.840 -0.228 0.000 0.764 111 L CB -0.263 41.707 42.059 -0.149 0.000 0.900 111 L HN 0.261 nan 8.230 nan 0.000 0.436 112 K N -0.207 120.082 120.400 -0.185 0.000 2.152 112 K HA -0.229 4.091 4.320 0.000 0.000 0.206 112 K C 1.530 178.039 176.600 -0.152 0.000 1.048 112 K CA 1.826 57.989 56.287 -0.207 0.000 0.933 112 K CB -0.051 32.208 32.500 -0.401 0.000 0.721 112 K HN 0.406 nan 8.250 nan 0.000 0.447 113 D N 1.013 121.326 120.400 -0.145 0.000 2.144 113 D HA -0.162 4.478 4.640 0.000 0.000 0.199 113 D C 1.855 178.108 176.300 -0.078 0.000 0.984 113 D CA 0.973 54.909 54.000 -0.106 0.000 0.834 113 D CB -0.094 40.646 40.800 -0.100 0.000 0.955 113 D HN 0.305 nan 8.370 nan 0.000 0.465 114 L N 0.261 121.438 121.223 -0.076 0.000 2.447 114 L HA -0.110 4.230 4.340 0.000 0.000 0.225 114 L C 0.927 177.773 176.870 -0.040 0.000 1.148 114 L CA -0.027 54.783 54.840 -0.050 0.000 0.808 114 L CB -0.305 41.727 42.059 -0.046 0.000 0.928 114 L HN 0.022 nan 8.230 nan 0.000 0.448 115 L N 0.422 121.615 121.223 -0.050 0.000 2.326 115 L HA 0.184 4.524 4.340 0.000 0.000 0.278 115 L C 0.350 177.197 176.870 -0.038 0.000 1.092 115 L CA 0.103 54.919 54.840 -0.040 0.000 0.810 115 L CB 0.586 42.618 42.059 -0.045 0.000 1.153 115 L HN -0.086 nan 8.230 nan 0.000 0.439 116 D N 6.051 126.434 120.400 -0.028 0.000 2.487 116 D HA 0.011 4.651 4.640 0.000 0.000 0.243 116 D C -1.687 174.595 176.300 -0.031 0.000 1.154 116 D CA -0.983 53.002 54.000 -0.026 0.000 0.876 116 D CB 1.676 42.464 40.800 -0.020 0.000 1.161 116 D HN 0.396 nan 8.370 nan 0.000 0.478 117 P HA -0.144 nan 4.420 nan 0.000 0.219 117 P C 1.150 178.431 177.300 -0.031 0.000 1.144 117 P CA 0.953 64.032 63.100 -0.034 0.000 0.806 117 P CB 0.322 32.004 31.700 -0.031 0.000 0.771 118 R N -0.747 119.737 120.500 -0.027 0.000 2.115 118 R HA -0.065 4.275 4.340 0.000 0.000 0.226 118 R C 2.193 178.476 176.300 -0.028 0.000 1.100 118 R CA 2.065 58.149 56.100 -0.026 0.000 0.980 118 R CB -1.286 29.000 30.300 -0.023 0.000 0.875 118 R HN 0.302 nan 8.270 nan 0.000 0.445 119 T N -2.801 111.737 114.554 -0.027 0.000 2.983 119 T HA 0.034 4.384 4.350 0.000 0.000 0.250 119 T C 1.920 176.603 174.700 -0.028 0.000 1.037 119 T CA 0.383 62.467 62.100 -0.026 0.000 1.142 119 T CB -0.238 68.617 68.868 -0.022 0.000 0.876 119 T HN 0.132 nan 8.240 nan 0.000 0.455 120 R N 1.689 122.169 120.500 -0.034 0.000 2.133 120 R HA -0.140 4.200 4.340 0.000 0.000 0.245 120 R C 2.598 178.873 176.300 -0.041 0.000 1.137 120 R CA 1.962 58.036 56.100 -0.044 0.000 0.947 120 R CB -0.972 29.294 30.300 -0.056 0.000 0.865 120 R HN 0.486 nan 8.270 nan 0.000 0.437 121 A N 0.053 122.850 122.820 -0.038 0.000 2.076 121 A HA -0.197 4.123 4.320 0.000 0.000 0.220 121 A C 1.919 179.482 177.584 -0.035 0.000 1.160 121 A CA 1.790 53.805 52.037 -0.036 0.000 0.653 121 A CB -0.388 18.593 19.000 -0.033 0.000 0.801 121 A HN 0.541 nan 8.150 nan 0.000 0.455 122 E N -0.628 119.553 120.200 -0.031 0.000 2.076 122 E HA -0.032 4.318 4.350 0.000 0.000 0.190 122 E C 1.712 178.299 176.600 -0.022 0.000 0.979 122 E CA 1.123 57.506 56.400 -0.028 0.000 0.807 122 E CB -0.111 29.572 29.700 -0.028 0.000 0.761 122 E HN 0.220 nan 8.360 nan 0.000 0.454 123 V N 1.436 121.342 119.914 -0.014 0.000 2.871 123 V HA -0.072 4.048 4.120 0.000 0.000 0.256 123 V C 1.328 177.425 176.094 0.005 0.000 1.082 123 V CA 1.146 63.448 62.300 0.004 0.000 1.105 123 V CB -0.296 31.536 31.823 0.015 0.000 0.713 123 V HN 0.213 nan 8.190 nan 0.000 0.473 124 E N 0.074 120.263 120.200 -0.017 0.000 2.438 124 E HA 0.144 4.494 4.350 0.000 0.000 0.192 124 E C 1.355 177.932 176.600 -0.039 0.000 1.110 124 E CA 0.738 57.127 56.400 -0.018 0.000 0.893 124 E CB 0.441 30.120 29.700 -0.035 0.000 0.990 124 E HN 0.590 nan 8.360 nan 0.000 0.490 125 A N -0.565 122.219 122.820 -0.060 0.000 2.425 125 A HA 0.192 4.512 4.320 0.000 0.000 0.201 125 A C 1.548 179.019 177.584 -0.187 0.000 1.431 125 A CA -0.276 51.679 52.037 -0.136 0.000 1.066 125 A CB 0.209 19.134 19.000 -0.125 0.000 1.318 125 A HN 0.164 nan 8.150 nan 0.000 0.534 126 L N -0.272 120.908 121.223 -0.073 0.000 2.591 126 L HA 0.181 4.521 4.340 0.000 0.000 0.228 126 L C 2.192 179.073 176.870 0.019 0.000 1.133 126 L CA 0.791 55.622 54.840 -0.015 0.000 0.880 126 L CB 0.117 42.197 42.059 0.035 0.000 1.033 126 L HN 0.425 nan 8.230 nan 0.000 0.450 127 A N -0.221 122.603 122.820 0.006 0.000 2.197 127 A HA 0.077 4.397 4.320 0.000 0.000 0.210 127 A C 2.169 179.764 177.584 0.018 0.000 1.180 127 A CA 0.000 52.064 52.037 0.044 0.000 0.846 127 A CB 0.001 19.066 19.000 0.108 0.000 0.884 127 A HN 0.248 nan 8.150 nan 0.000 0.487 128 R N -1.398 119.069 120.500 -0.056 0.000 2.276 128 R HA 0.090 4.430 4.340 0.000 0.000 0.203 128 R C -0.514 175.811 176.300 0.042 0.000 1.017 128 R CA 0.352 56.412 56.100 -0.065 0.000 1.010 128 R CB -0.081 30.110 30.300 -0.181 0.000 0.900 128 R HN 0.601 nan 8.270 nan 0.000 0.469 129 Y N 1.635 121.947 120.300 0.020 0.000 2.330 129 Y HA 0.112 4.662 4.550 0.000 0.000 0.336 129 Y C 0.886 176.791 175.900 0.009 0.000 1.036 129 Y CA -1.238 56.869 58.100 0.013 0.000 1.125 129 Y CB 1.085 39.553 38.460 0.013 0.000 1.194 129 Y HN -0.091 nan 8.280 nan 0.000 0.469 130 E N 2.079 122.382 120.200 0.172 0.000 2.461 130 E HA -0.110 4.240 4.350 0.000 0.000 0.263 130 E C 0.196 176.834 176.600 0.064 0.000 1.143 130 E CA 0.390 56.839 56.400 0.080 0.000 0.994 130 E CB 0.584 30.308 29.700 0.039 0.000 0.973 130 E HN 0.785 nan 8.360 nan 0.000 0.457 131 E N 0.337 120.559 120.200 0.038 0.000 2.478 131 E HA -0.065 4.285 4.350 0.000 0.000 0.194 131 E C 0.352 176.961 176.600 0.014 0.000 1.045 131 E CA 0.136 56.553 56.400 0.029 0.000 0.868 131 E CB 0.309 30.021 29.700 0.021 0.000 0.885 131 E HN 0.309 nan 8.360 nan 0.000 0.505 132 D N 0.989 121.393 120.400 0.006 0.000 2.259 132 D HA -0.007 4.633 4.640 0.000 0.000 0.216 132 D C 0.474 176.760 176.300 -0.023 0.000 0.961 132 D CA 0.572 54.568 54.000 -0.008 0.000 0.878 132 D CB 0.173 40.967 40.800 -0.009 0.000 1.009 132 D HN 0.182 nan 8.370 nan 0.000 0.490 133 E N 0.511 120.691 120.200 -0.034 0.000 2.369 133 E HA 0.396 4.746 4.350 0.000 0.000 0.255 133 E C 1.125 177.679 176.600 -0.077 0.000 1.172 133 E CA -0.200 56.155 56.400 -0.075 0.000 0.932 133 E CB 0.792 30.419 29.700 -0.122 0.000 1.040 133 E HN -0.041 nan 8.360 nan 0.000 0.454 134 A N 1.831 124.583 122.820 -0.114 0.000 1.884 134 A HA -0.269 4.051 4.320 0.000 0.000 0.219 134 A C 2.164 179.715 177.584 -0.054 0.000 1.197 134 A CA 2.479 54.461 52.037 -0.093 0.000 0.637 134 A CB -1.868 17.058 19.000 -0.123 0.000 0.827 134 A HN 0.838 nan 8.150 nan 0.000 0.450 135 G N -0.566 108.164 108.800 -0.116 0.000 2.808 135 G HA2 -0.236 3.724 3.960 0.000 0.000 0.225 135 G HA3 -0.236 3.724 3.960 0.000 0.000 0.225 135 G C 1.569 176.567 174.900 0.163 0.000 1.210 135 G CA 1.642 46.819 45.100 0.129 0.000 0.777 135 G HN 1.285 nan 8.290 nan 0.000 0.640 136 G N -0.407 108.464 108.800 0.118 0.000 2.687 136 G HA2 0.160 4.120 3.960 0.000 0.000 0.209 136 G HA3 0.160 4.120 3.960 0.000 0.000 0.209 136 G C 1.229 176.164 174.900 0.058 0.000 1.146 136 G CA 0.817 45.970 45.100 0.087 0.000 0.787 136 G HN 0.488 nan 8.290 nan 0.000 0.532 137 L N -1.128 120.126 121.223 0.052 0.000 3.154 137 L HA 0.295 4.635 4.340 0.000 0.000 0.280 137 L C 1.186 178.081 176.870 0.042 0.000 1.134 137 L CA -0.205 54.657 54.840 0.037 0.000 1.037 137 L CB 0.035 42.103 42.059 0.015 0.000 1.571 137 L HN 0.275 nan 8.230 nan 0.000 0.576 138 M N 0.894 120.526 119.600 0.053 0.000 2.219 138 M HA 0.328 4.808 4.480 0.000 0.000 0.353 138 M C 0.215 176.565 176.300 0.084 0.000 1.304 138 M CA 0.259 55.595 55.300 0.060 0.000 1.115 138 M CB 0.559 33.196 32.600 0.061 0.000 1.664 138 M HN 0.009 nan 8.290 nan 0.000 0.459 139 T N 0.852 115.459 114.554 0.088 0.000 2.794 139 T HA 0.520 4.870 4.350 0.000 0.000 0.280 139 T C -1.869 172.908 174.700 0.128 0.000 0.987 139 T CA -1.820 60.333 62.100 0.089 0.000 0.993 139 T CB 1.447 70.360 68.868 0.075 0.000 0.939 139 T HN 0.662 nan 8.240 nan 0.000 0.449 140 P HA 0.043 nan 4.420 nan 0.000 0.236 140 P C 0.086 177.245 177.300 -0.235 0.000 1.177 140 P CA 0.406 63.504 63.100 -0.004 0.000 0.773 140 P CB 0.111 31.787 31.700 -0.040 0.000 0.878 141 E N 0.881 121.028 120.200 -0.088 0.000 2.222 141 E HA 0.063 4.413 4.350 0.000 0.000 0.312 141 E C -0.131 176.470 176.600 0.001 0.000 1.263 141 E CA -0.304 56.039 56.400 -0.096 0.000 1.356 141 E CB -0.698 28.989 29.700 -0.020 0.000 1.180 141 E HN 0.425 nan 8.360 nan 0.000 0.494 142 Y N -2.240 118.088 120.300 0.045 0.000 2.699 142 Y HA 0.638 5.188 4.550 0.000 0.000 0.326 142 Y C -0.155 175.799 175.900 0.089 0.000 1.141 142 Y CA -1.871 56.271 58.100 0.070 0.000 1.246 142 Y CB 0.425 38.915 38.460 0.050 0.000 1.426 142 Y HN -0.199 nan 8.280 nan 0.000 0.559 143 V N 1.493 121.691 119.914 0.473 0.000 2.326 143 V HA 0.775 4.895 4.120 0.000 0.000 0.281 143 V C -0.406 175.876 176.094 0.314 0.000 1.015 143 V CA -0.633 61.850 62.300 0.305 0.000 0.823 143 V CB 0.100 32.037 31.823 0.191 0.000 1.009 143 V HN 1.000 nan 8.190 nan 0.000 0.436 144 A N 5.263 128.232 122.820 0.248 0.000 2.319 144 A HA 0.915 5.235 4.320 0.000 0.000 0.310 144 A C -0.319 177.232 177.584 -0.055 0.000 1.152 144 A CA -0.499 51.627 52.037 0.147 0.000 0.783 144 A CB 1.654 20.813 19.000 0.266 0.000 1.184 144 A HN 1.083 nan 8.150 nan 0.000 0.474 145 V N 0.301 120.161 119.914 -0.091 0.000 3.240 145 V HA 0.886 5.006 4.120 0.000 0.000 0.306 145 V C -0.044 175.993 176.094 -0.095 0.000 1.227 145 V CA -1.124 61.069 62.300 -0.178 0.000 1.047 145 V CB 1.217 32.921 31.823 -0.199 0.000 1.203 145 V HN 0.954 nan 8.190 nan 0.000 0.471 146 R N -0.134 120.311 120.500 -0.093 0.000 2.664 146 R HA 0.416 4.756 4.340 0.000 0.000 0.286 146 R C 1.324 177.599 176.300 -0.042 0.000 0.967 146 R CA 0.142 56.211 56.100 -0.052 0.000 0.933 146 R CB 1.636 31.911 30.300 -0.041 0.000 1.146 146 R HN 0.954 nan 8.270 nan 0.000 0.468 147 E N 1.794 121.976 120.200 -0.029 0.000 2.153 147 E HA -0.088 4.262 4.350 0.000 0.000 0.194 147 E C 0.349 176.938 176.600 -0.019 0.000 0.988 147 E CA 1.286 57.672 56.400 -0.024 0.000 0.811 147 E CB -0.034 29.655 29.700 -0.019 0.000 0.746 147 E HN 0.655 nan 8.360 nan 0.000 0.466 148 G N 1.373 110.163 108.800 -0.016 0.000 3.717 148 G HA2 0.420 4.380 3.960 0.000 0.000 0.258 148 G HA3 0.420 4.380 3.960 0.000 0.000 0.258 148 G C -0.324 174.570 174.900 -0.009 0.000 1.088 148 G CA -0.410 44.684 45.100 -0.010 0.000 1.737 148 G HN 0.045 nan 8.290 nan 0.000 0.648 149 M N -0.067 119.525 119.600 -0.012 0.000 2.744 149 M HA 0.502 4.982 4.480 0.000 0.000 0.283 149 M C 0.227 176.524 176.300 -0.004 0.000 1.275 149 M CA -0.800 54.495 55.300 -0.007 0.000 0.796 149 M CB 2.351 34.940 32.600 -0.020 0.000 1.739 149 M HN 0.186 nan 8.290 nan 0.000 0.454 150 T N -2.176 112.380 114.554 0.004 0.000 2.919 150 T HA 0.528 4.878 4.350 0.000 0.000 0.282 150 T C 0.598 175.301 174.700 0.006 0.000 1.020 150 T CA -0.901 61.202 62.100 0.005 0.000 0.994 150 T CB 1.214 70.088 68.868 0.011 0.000 1.180 150 T HN 0.324 nan 8.240 nan 0.000 0.566 151 V N 0.742 120.660 119.914 0.006 0.000 2.346 151 V HA -0.038 4.082 4.120 0.000 0.000 0.244 151 V C 2.798 178.904 176.094 0.019 0.000 1.037 151 V CA 1.692 63.996 62.300 0.007 0.000 1.029 151 V CB -0.765 31.060 31.823 0.003 0.000 0.663 151 V HN 1.025 nan 8.190 nan 0.000 0.454 152 E N 0.343 120.556 120.200 0.020 0.000 2.401 152 E HA -0.261 4.089 4.350 0.000 0.000 0.199 152 E C 2.019 178.643 176.600 0.040 0.000 1.023 152 E CA 1.321 57.736 56.400 0.026 0.000 0.859 152 E CB 0.184 29.896 29.700 0.021 0.000 0.780 152 E HN 0.770 nan 8.360 nan 0.000 0.523 153 E N -0.617 119.611 120.200 0.046 0.000 2.166 153 E HA -0.043 4.307 4.350 0.000 0.000 0.192 153 E C 2.015 178.683 176.600 0.114 0.000 0.967 153 E CA 0.408 56.852 56.400 0.073 0.000 0.840 153 E CB 0.430 30.166 29.700 0.061 0.000 0.795 153 E HN 0.087 nan 8.360 nan 0.000 0.470 154 V N 1.504 121.463 119.914 0.075 0.000 2.488 154 V HA -0.179 3.941 4.120 0.000 0.000 0.246 154 V C 2.320 178.482 176.094 0.113 0.000 1.046 154 V CA 1.070 63.418 62.300 0.079 0.000 1.053 154 V CB -0.304 31.523 31.823 0.006 0.000 0.679 154 V HN 0.330 nan 8.190 nan 0.000 0.458 155 L N -0.136 121.131 121.223 0.074 0.000 2.191 155 L HA -0.131 4.209 4.340 0.000 0.000 0.212 155 L C 2.576 179.490 176.870 0.074 0.000 1.103 155 L CA 1.533 56.411 54.840 0.063 0.000 0.769 155 L CB -0.475 41.608 42.059 0.040 0.000 0.908 155 L HN 0.274 nan 8.230 nan 0.000 0.438 156 R N -0.714 119.838 120.500 0.088 0.000 2.254 156 R HA -0.075 4.265 4.340 0.000 0.000 0.195 156 R C 2.088 178.438 176.300 0.083 0.000 0.957 156 R CA 0.388 56.529 56.100 0.067 0.000 1.024 156 R CB 0.029 30.360 30.300 0.052 0.000 0.952 156 R HN 0.167 nan 8.270 nan 0.000 0.484 157 F N 0.346 120.298 119.950 0.003 0.000 2.416 157 F HA 0.119 4.646 4.527 0.000 0.000 0.296 157 F C 1.220 177.021 175.800 0.002 0.000 1.099 157 F CA 0.915 58.918 58.000 0.004 0.000 1.427 157 F CB 0.306 39.312 39.000 0.010 0.000 1.079 157 F HN -0.037 nan 8.300 nan 0.000 0.536 158 L N -0.487 120.877 121.223 0.235 0.000 2.446 158 L HA 0.017 4.357 4.340 0.000 0.000 0.219 158 L C 2.250 179.146 176.870 0.043 0.000 1.116 158 L CA 0.076 55.002 54.840 0.143 0.000 0.844 158 L CB -0.465 41.660 42.059 0.110 0.000 0.970 158 L HN -0.123 nan 8.230 nan 0.000 0.457 159 R N 1.474 121.988 120.500 0.023 0.000 2.211 159 R HA -0.091 4.249 4.340 0.000 0.000 0.240 159 R C 0.836 177.117 176.300 -0.031 0.000 1.144 159 R CA 0.771 56.869 56.100 -0.004 0.000 0.992 159 R CB -0.555 29.741 30.300 -0.007 0.000 0.869 159 R HN 0.523 nan 8.270 nan 0.000 0.462 160 R N -2.493 117.968 120.500 -0.064 0.000 2.867 160 R HA 0.568 4.908 4.340 0.000 0.000 0.268 160 R C -0.050 176.193 176.300 -0.096 0.000 1.014 160 R CA -0.025 56.020 56.100 -0.093 0.000 0.946 160 R CB 1.253 31.467 30.300 -0.142 0.000 1.208 160 R HN -0.118 nan 8.270 nan 0.000 0.477 161 A N -0.264 122.509 122.820 -0.079 0.000 2.899 161 A HA -0.252 4.068 4.320 0.000 0.000 0.257 161 A C 1.270 178.853 177.584 -0.001 0.000 1.335 161 A CA 1.243 53.252 52.037 -0.046 0.000 0.924 161 A CB -2.184 16.777 19.000 -0.065 0.000 1.105 161 A HN 1.178 nan 8.150 nan 0.000 0.765 162 A N -0.685 122.129 122.820 -0.010 0.000 1.930 162 A HA 0.332 4.652 4.320 0.000 0.000 0.215 162 A C 0.061 177.635 177.584 -0.015 0.000 1.176 162 A CA 1.516 53.548 52.037 -0.009 0.000 0.632 162 A CB -0.826 18.163 19.000 -0.018 0.000 0.819 162 A HN 0.519 nan 8.150 nan 0.000 0.445 163 P HA 0.067 nan 4.420 nan 0.000 0.253 163 P C -0.276 177.019 177.300 -0.008 0.000 1.260 163 P CA 1.226 64.319 63.100 -0.012 0.000 0.800 163 P CB 0.041 31.733 31.700 -0.012 0.000 1.162 164 D N -1.744 118.652 120.400 -0.007 0.000 2.469 164 D HA 0.254 4.894 4.640 0.000 0.000 0.215 164 D C 0.119 176.418 176.300 -0.001 0.000 1.154 164 D CA -0.486 53.510 54.000 -0.007 0.000 0.832 164 D CB 0.169 40.960 40.800 -0.014 0.000 1.008 164 D HN -0.090 nan 8.370 nan 0.000 0.506 165 A N 0.395 123.221 122.820 0.010 0.000 2.343 165 A HA 0.422 4.742 4.320 0.000 0.000 0.316 165 A C 0.795 178.399 177.584 0.032 0.000 1.104 165 A CA -0.609 51.444 52.037 0.027 0.000 0.768 165 A CB 1.396 20.427 19.000 0.052 0.000 1.213 165 A HN 0.136 nan 8.150 nan 0.000 0.456 166 E N 1.405 121.636 120.200 0.051 0.000 2.187 166 E HA -0.143 4.207 4.350 0.000 0.000 0.199 166 E C 0.479 177.117 176.600 0.063 0.000 1.004 166 E CA 1.943 58.380 56.400 0.061 0.000 0.813 166 E CB 0.111 29.859 29.700 0.080 0.000 0.736 166 E HN 0.700 nan 8.360 nan 0.000 0.468 167 T N -1.429 113.167 114.554 0.069 0.000 3.393 167 T HA 0.259 4.609 4.350 0.000 0.000 0.359 167 T C -0.196 174.526 174.700 0.036 0.000 1.380 167 T CA -0.583 61.541 62.100 0.039 0.000 1.132 167 T CB 0.731 69.684 68.868 0.142 0.000 1.284 167 T HN 0.256 nan 8.240 nan 0.000 0.477 168 I N 1.775 122.270 120.570 -0.125 0.000 3.914 168 I HA 0.365 4.535 4.170 0.000 0.000 0.333 168 I C 0.584 176.675 176.117 -0.043 0.000 1.449 168 I CA -0.477 60.784 61.300 -0.064 0.000 1.135 168 I CB -0.194 37.751 38.000 -0.092 0.000 1.073 168 I HN 0.581 nan 8.210 nan 0.000 0.401 169 Y N 0.389 120.791 120.300 0.170 0.000 2.475 169 Y HA 0.113 4.663 4.550 0.000 0.000 0.289 169 Y C 0.129 176.123 175.900 0.157 0.000 1.121 169 Y CA 0.314 58.525 58.100 0.184 0.000 1.257 169 Y CB 0.331 38.967 38.460 0.294 0.000 1.026 169 Y HN 0.171 nan 8.280 nan 0.000 0.555 170 Y N 0.295 120.647 120.300 0.086 0.000 2.426 170 Y HA 0.346 4.896 4.550 0.000 0.000 0.325 170 Y C -0.975 174.790 175.900 -0.224 0.000 0.989 170 Y CA -1.827 56.209 58.100 -0.108 0.000 1.284 170 Y CB 0.303 38.663 38.460 -0.167 0.000 1.104 170 Y HN -0.175 nan 8.280 nan 0.000 0.481 171 I N 3.934 124.426 120.570 -0.131 0.000 2.371 171 I HA 0.193 4.363 4.170 0.000 0.000 0.290 171 I C -0.455 175.518 176.117 -0.241 0.000 1.028 171 I CA -0.645 60.595 61.300 -0.099 0.000 1.345 171 I CB -0.004 37.962 38.000 -0.057 0.000 1.407 171 I HN 0.345 nan 8.210 nan 0.000 0.501 172 Y N 4.603 124.886 120.300 -0.028 0.000 2.352 172 Y HA 0.603 5.153 4.550 0.000 0.000 0.326 172 Y C 0.182 176.035 175.900 -0.078 0.000 1.166 172 Y CA -0.754 57.302 58.100 -0.073 0.000 1.182 172 Y CB 1.224 39.596 38.460 -0.147 0.000 1.216 172 Y HN 0.198 nan 8.280 nan 0.000 0.474 173 V N 3.695 123.651 119.914 0.070 0.000 2.513 173 V HA 0.686 4.806 4.120 0.000 0.000 0.299 173 V C -0.590 175.504 176.094 0.001 0.000 1.035 173 V CA -0.848 61.458 62.300 0.010 0.000 0.889 173 V CB 1.421 33.234 31.823 -0.017 0.000 0.988 173 V HN 0.595 nan 8.190 nan 0.000 0.440 174 V N 0.775 120.681 119.914 -0.013 0.000 2.971 174 V HA 0.732 4.852 4.120 0.000 0.000 0.309 174 V C -0.592 175.490 176.094 -0.021 0.000 1.130 174 V CA -1.024 61.262 62.300 -0.023 0.000 0.964 174 V CB 1.809 33.620 31.823 -0.020 0.000 1.029 174 V HN 0.880 nan 8.190 nan 0.000 0.427 175 D N 1.607 121.993 120.400 -0.024 0.000 2.414 175 D HA 0.177 4.817 4.640 0.000 0.000 0.259 175 D C 1.195 177.489 176.300 -0.011 0.000 1.269 175 D CA 0.215 54.205 54.000 -0.018 0.000 1.028 175 D CB 0.535 41.323 40.800 -0.019 0.000 1.093 175 D HN 0.880 nan 8.370 nan 0.000 0.545 176 E N -0.514 119.682 120.200 -0.007 0.000 2.118 176 E HA -0.303 4.047 4.350 0.000 0.000 0.195 176 E C 1.516 178.116 176.600 -0.000 0.000 0.992 176 E CA 0.926 57.325 56.400 -0.002 0.000 0.804 176 E CB -0.202 29.498 29.700 -0.000 0.000 0.741 176 E HN 0.215 nan 8.360 nan 0.000 0.458 177 K N -0.174 120.223 120.400 -0.004 0.000 2.555 177 K HA 0.062 4.382 4.320 0.000 0.000 0.193 177 K C 1.065 177.663 176.600 -0.003 0.000 1.032 177 K CA 0.891 57.176 56.287 -0.003 0.000 1.004 177 K CB -0.022 32.474 32.500 -0.007 0.000 0.804 177 K HN 0.459 nan 8.250 nan 0.000 0.496 178 G N 0.409 109.206 108.800 -0.004 0.000 2.176 178 G HA2 -0.317 3.643 3.960 0.000 0.000 0.253 178 G HA3 -0.317 3.643 3.960 0.000 0.000 0.253 178 G C -0.148 174.738 174.900 -0.024 0.000 0.979 178 G CA 0.143 45.242 45.100 -0.002 0.000 0.641 178 G HN 0.305 nan 8.290 nan 0.000 0.530 179 R N -0.224 120.254 120.500 -0.036 0.000 2.594 179 R HA 0.554 4.894 4.340 0.000 0.000 0.272 179 R C 0.702 176.953 176.300 -0.082 0.000 1.074 179 R CA -0.478 55.583 56.100 -0.065 0.000 1.105 179 R CB 1.000 31.262 30.300 -0.063 0.000 1.008 179 R HN 0.322 nan 8.270 nan 0.000 0.472 180 L N 1.950 123.097 121.223 -0.127 0.000 2.436 180 L HA 0.156 4.496 4.340 0.000 0.000 0.265 180 L C 0.040 176.842 176.870 -0.114 0.000 1.168 180 L CA 0.392 55.158 54.840 -0.124 0.000 0.815 180 L CB 0.439 42.393 42.059 -0.176 0.000 1.109 180 L HN 0.611 nan 8.230 nan 0.000 0.462 181 K N 2.925 123.285 120.400 -0.067 0.000 3.513 181 K HA 0.398 4.718 4.320 0.000 0.000 0.164 181 K C -0.824 175.761 176.600 -0.025 0.000 1.041 181 K CA 0.029 56.284 56.287 -0.053 0.000 0.761 181 K CB 0.913 33.386 32.500 -0.044 0.000 0.811 181 K HN 0.877 nan 8.250 nan 0.000 0.510 182 G N 0.010 108.805 108.800 -0.009 0.000 2.375 182 G HA2 0.012 3.972 3.960 0.000 0.000 0.663 182 G HA3 0.012 3.972 3.960 0.000 0.000 0.663 182 G C -1.648 173.247 174.900 -0.007 0.000 1.391 182 G CA -0.474 44.625 45.100 -0.002 0.000 0.949 182 G HN 0.048 nan 8.290 nan 0.000 0.646 183 V N 0.309 120.192 119.914 -0.051 0.000 3.602 183 V HA 0.973 5.093 4.120 0.000 0.000 0.285 183 V C -0.520 175.479 176.094 -0.157 0.000 1.187 183 V CA -0.085 62.114 62.300 -0.168 0.000 0.940 183 V CB 1.696 33.422 31.823 -0.161 0.000 1.250 183 V HN 2.157 nan 8.190 nan 0.000 0.455 184 L N 1.431 122.526 121.223 -0.214 0.000 3.390 184 L HA 0.345 4.685 4.340 0.000 0.000 0.223 184 L C -0.502 176.228 176.870 -0.232 0.000 0.985 184 L CA 0.202 54.939 54.840 -0.171 0.000 1.289 184 L CB 0.494 42.477 42.059 -0.127 0.000 1.682 184 L HN 0.570 nan 8.230 nan 0.000 0.675 185 S N 2.876 118.409 115.700 -0.279 0.000 2.549 185 S HA 0.181 4.651 4.470 0.000 0.000 0.286 185 S C 1.203 175.669 174.600 -0.222 0.000 1.314 185 S CA -0.218 57.741 58.200 -0.402 0.000 1.062 185 S CB 1.043 64.011 63.200 -0.386 0.000 0.865 185 S HN 0.656 nan 8.310 nan 0.000 0.498 186 L N 4.035 125.150 121.223 -0.179 0.000 2.131 186 L HA -0.033 4.307 4.340 0.000 0.000 0.210 186 L C 2.432 179.278 176.870 -0.040 0.000 1.092 186 L CA 1.618 56.430 54.840 -0.046 0.000 0.759 186 L CB -0.399 41.703 42.059 0.072 0.000 0.903 186 L HN 0.683 nan 8.230 nan 0.000 0.435 187 R N -0.716 119.737 120.500 -0.077 0.000 2.249 187 R HA -0.165 4.175 4.340 0.000 0.000 0.230 187 R C 1.177 177.448 176.300 -0.048 0.000 1.121 187 R CA 1.598 57.665 56.100 -0.055 0.000 0.997 187 R CB -0.155 30.099 30.300 -0.077 0.000 0.867 187 R HN 0.507 nan 8.270 nan 0.000 0.465 188 D N -0.090 120.271 120.400 -0.064 0.000 2.338 188 D HA -0.042 4.598 4.640 0.000 0.000 0.224 188 D C 1.773 178.053 176.300 -0.033 0.000 0.967 188 D CA 0.515 54.486 54.000 -0.048 0.000 0.896 188 D CB -0.058 40.705 40.800 -0.062 0.000 1.028 188 D HN 0.232 nan 8.370 nan 0.000 0.493 189 L N 0.960 122.163 121.223 -0.033 0.000 2.549 189 L HA -0.024 4.316 4.340 0.000 0.000 0.230 189 L C 2.204 179.072 176.870 -0.003 0.000 1.162 189 L CA 0.387 55.217 54.840 -0.017 0.000 0.834 189 L CB -0.136 41.914 42.059 -0.014 0.000 0.947 189 L HN -0.011 nan 8.230 nan 0.000 0.452 190 I N -0.955 119.614 120.570 -0.003 0.000 2.703 190 I HA -0.132 4.038 4.170 0.000 0.000 0.259 190 I C 2.163 178.281 176.117 0.002 0.000 1.151 190 I CA 0.734 62.038 61.300 0.006 0.000 1.470 190 I CB 0.209 38.215 38.000 0.011 0.000 1.112 190 I HN 0.161 nan 8.210 nan 0.000 0.437 191 V N -1.411 118.500 119.914 -0.004 0.000 2.949 191 V HA 0.371 4.491 4.120 0.000 0.000 0.245 191 V C 1.366 177.458 176.094 -0.004 0.000 1.086 191 V CA -0.029 62.269 62.300 -0.004 0.000 1.097 191 V CB -1.002 30.817 31.823 -0.007 0.000 0.762 191 V HN 0.130 nan 8.190 nan 0.000 0.470 192 A N 1.357 124.173 122.820 -0.007 0.000 2.492 192 A HA 0.212 4.532 4.320 0.000 0.000 0.236 192 A C 0.037 177.620 177.584 -0.002 0.000 1.078 192 A CA 0.508 52.541 52.037 -0.007 0.000 0.773 192 A CB -0.353 18.641 19.000 -0.011 0.000 1.023 192 A HN 0.591 nan 8.150 nan 0.000 0.504 193 D N 0.998 121.397 120.400 -0.002 0.000 2.351 193 D HA 0.290 4.930 4.640 0.000 0.000 0.251 193 D C -1.183 175.119 176.300 0.002 0.000 1.137 193 D CA -1.347 52.654 54.000 0.001 0.000 0.879 193 D CB 0.875 41.676 40.800 0.001 0.000 1.181 193 D HN 0.237 nan 8.370 nan 0.000 0.448 194 P HA -0.178 nan 4.420 nan 0.000 0.223 194 P C 0.516 177.820 177.300 0.008 0.000 1.140 194 P CA 1.044 64.149 63.100 0.008 0.000 0.783 194 P CB 0.274 31.980 31.700 0.009 0.000 0.759 195 R N -0.661 119.842 120.500 0.005 0.000 2.308 195 R HA 0.093 4.433 4.340 0.000 0.000 0.202 195 R C 0.880 177.182 176.300 0.003 0.000 0.898 195 R CA 0.201 56.304 56.100 0.005 0.000 1.046 195 R CB -0.177 30.126 30.300 0.004 0.000 1.026 195 R HN 0.242 nan 8.270 nan 0.000 0.512 196 T N 0.417 114.972 114.554 0.001 0.000 2.940 196 T HA 0.158 4.508 4.350 0.000 0.000 0.309 196 T C 0.595 175.293 174.700 -0.003 0.000 1.056 196 T CA -0.603 61.496 62.100 -0.002 0.000 1.137 196 T CB 1.147 70.013 68.868 -0.004 0.000 0.976 196 T HN -0.103 nan 8.240 nan 0.000 0.547 197 R N 1.980 122.477 120.500 -0.004 0.000 2.801 197 R HA 0.237 4.577 4.340 0.000 0.000 0.273 197 R C 1.609 177.902 176.300 -0.011 0.000 1.080 197 R CA -0.656 55.440 56.100 -0.006 0.000 1.197 197 R CB -0.053 30.243 30.300 -0.006 0.000 1.109 197 R HN 0.594 nan 8.270 nan 0.000 0.535 198 V N 0.703 120.608 119.914 -0.015 0.000 2.446 198 V HA -0.080 4.040 4.120 0.000 0.000 0.244 198 V C 1.814 177.895 176.094 -0.022 0.000 1.039 198 V CA 1.888 64.174 62.300 -0.023 0.000 1.045 198 V CB -0.602 31.203 31.823 -0.030 0.000 0.681 198 V HN 0.829 nan 8.190 nan 0.000 0.459 199 A N 0.744 123.554 122.820 -0.017 0.000 2.250 199 A HA -0.034 4.286 4.320 0.000 0.000 0.208 199 A C 1.701 179.278 177.584 -0.011 0.000 1.254 199 A CA 1.165 53.194 52.037 -0.015 0.000 0.858 199 A CB -0.597 18.396 19.000 -0.012 0.000 0.820 199 A HN 0.816 nan 8.150 nan 0.000 0.484 200 E N -0.846 119.347 120.200 -0.012 0.000 2.606 200 E HA 0.166 4.516 4.350 0.000 0.000 0.224 200 E C 1.007 177.601 176.600 -0.011 0.000 0.930 200 E CA 0.415 56.809 56.400 -0.009 0.000 1.125 200 E CB -0.176 29.520 29.700 -0.007 0.000 1.123 200 E HN 0.606 nan 8.360 nan 0.000 0.522 201 I N -1.241 119.320 120.570 -0.016 0.000 4.327 201 I HA 0.328 4.498 4.170 0.000 0.000 0.331 201 I C 0.986 177.088 176.117 -0.026 0.000 1.348 201 I CA -0.789 60.499 61.300 -0.020 0.000 1.152 201 I CB 0.093 38.079 38.000 -0.022 0.000 1.151 201 I HN -0.003 nan 8.210 nan 0.000 0.410 202 M N 0.881 120.465 119.600 -0.026 0.000 2.036 202 M HA 0.380 4.860 4.480 0.000 0.000 0.276 202 M C -0.467 175.823 176.300 -0.017 0.000 1.262 202 M CA 0.475 55.756 55.300 -0.031 0.000 1.097 202 M CB 0.124 32.706 32.600 -0.030 0.000 1.386 202 M HN -0.045 nan 8.290 nan 0.000 0.482 203 N N 1.170 119.862 118.700 -0.012 0.000 2.531 203 N HA 0.312 5.052 4.740 0.000 0.000 0.268 203 N C -2.203 173.318 175.510 0.019 0.000 1.023 203 N CA -1.151 51.906 53.050 0.011 0.000 0.896 203 N CB 2.017 40.520 38.487 0.028 0.000 1.233 203 N HN 0.534 nan 8.380 nan 0.000 0.512 204 P HA -0.070 nan 4.420 nan 0.000 0.223 204 P C -0.233 177.089 177.300 0.038 0.000 1.151 204 P CA 0.856 63.967 63.100 0.019 0.000 0.787 204 P CB 0.493 32.202 31.700 0.015 0.000 0.788 205 K N 1.080 121.516 120.400 0.060 0.000 2.187 205 K HA 0.300 4.620 4.320 0.000 0.000 0.242 205 K C -0.126 176.550 176.600 0.128 0.000 1.179 205 K CA -0.368 55.975 56.287 0.094 0.000 1.097 205 K CB 0.542 33.100 32.500 0.097 0.000 1.634 205 K HN -0.048 nan 8.250 nan 0.000 0.335 206 V N 2.665 122.650 119.914 0.119 0.000 2.481 206 V HA 0.313 4.433 4.120 0.000 0.000 0.286 206 V C -0.142 176.092 176.094 0.234 0.000 1.042 206 V CA -0.801 61.583 62.300 0.139 0.000 0.928 206 V CB 1.563 33.431 31.823 0.075 0.000 0.986 206 V HN 0.385 nan 8.190 nan 0.000 0.462 207 V N 6.687 126.721 119.914 0.200 0.000 2.539 207 V HA 0.789 4.909 4.120 0.000 0.000 0.292 207 V C -0.679 175.529 176.094 0.189 0.000 1.045 207 V CA -0.184 62.209 62.300 0.155 0.000 0.945 207 V CB 0.952 32.783 31.823 0.014 0.000 0.993 207 V HN 1.106 nan 8.190 nan 0.000 0.464 208 Y N 2.420 122.658 120.300 -0.104 0.000 2.728 208 Y HA 0.878 5.428 4.550 0.000 0.000 0.330 208 Y C -0.947 174.882 175.900 -0.118 0.000 1.234 208 Y CA -1.731 56.297 58.100 -0.121 0.000 1.070 208 Y CB 1.454 39.852 38.460 -0.104 0.000 1.300 208 Y HN 0.723 nan 8.280 nan 0.000 0.467 209 V N 1.688 121.587 119.914 -0.025 0.000 2.760 209 V HA 0.550 4.670 4.120 0.000 0.000 0.309 209 V C -0.621 175.445 176.094 -0.047 0.000 1.077 209 V CA -0.993 61.238 62.300 -0.115 0.000 0.910 209 V CB 1.816 33.574 31.823 -0.109 0.000 1.008 209 V HN 1.003 nan 8.190 nan 0.000 0.424 210 R N 2.788 123.241 120.500 -0.077 0.000 2.679 210 R HA 0.182 4.522 4.340 0.000 0.000 0.269 210 R C 1.372 177.596 176.300 -0.126 0.000 1.076 210 R CA 0.758 56.824 56.100 -0.058 0.000 1.160 210 R CB 1.226 31.488 30.300 -0.063 0.000 1.054 210 R HN 0.926 nan 8.270 nan 0.000 0.507 211 T N 0.515 114.965 114.554 -0.174 0.000 2.869 211 T HA -0.195 4.155 4.350 0.000 0.000 0.270 211 T C -0.066 174.383 174.700 -0.419 0.000 1.082 211 T CA 1.835 63.709 62.100 -0.377 0.000 1.123 211 T CB -0.352 68.184 68.868 -0.554 0.000 0.856 211 T HN 0.776 nan 8.240 nan 0.000 0.499 212 D N 0.584 120.832 120.400 -0.253 0.000 2.458 212 D HA 0.393 5.033 4.640 0.000 0.000 0.258 212 D C -0.993 175.235 176.300 -0.121 0.000 1.134 212 D CA -0.548 53.342 54.000 -0.184 0.000 0.915 212 D CB 1.010 41.729 40.800 -0.135 0.000 1.028 212 D HN -0.018 nan 8.370 nan 0.000 0.508 213 T N 1.076 115.562 114.554 -0.113 0.000 3.050 213 T HA 0.196 4.546 4.350 0.000 0.000 0.310 213 T C -0.807 173.851 174.700 -0.070 0.000 0.978 213 T CA -0.776 61.272 62.100 -0.087 0.000 1.013 213 T CB 1.129 69.940 68.868 -0.095 0.000 1.000 213 T HN 0.379 nan 8.240 nan 0.000 0.447 214 D N 2.453 122.820 120.400 -0.055 0.000 2.703 214 D HA -0.081 4.559 4.640 0.000 0.000 0.225 214 D C 1.525 177.801 176.300 -0.040 0.000 1.119 214 D CA 0.853 54.828 54.000 -0.042 0.000 0.845 214 D CB 0.825 41.604 40.800 -0.035 0.000 1.182 214 D HN 0.485 nan 8.370 nan 0.000 0.493 215 Q N 2.008 121.788 119.800 -0.032 0.000 2.028 215 Q HA -0.302 4.038 4.340 0.000 0.000 0.213 215 Q C 1.712 177.695 176.000 -0.027 0.000 1.017 215 Q CA 1.969 57.755 55.803 -0.028 0.000 0.875 215 Q CB -0.101 28.625 28.738 -0.020 0.000 0.962 215 Q HN 0.672 nan 8.270 nan 0.000 0.413 216 E N 0.075 120.260 120.200 -0.026 0.000 2.086 216 E HA -0.281 4.069 4.350 0.000 0.000 0.205 216 E C 1.963 178.548 176.600 -0.025 0.000 1.027 216 E CA 1.566 57.951 56.400 -0.024 0.000 0.830 216 E CB -0.086 29.598 29.700 -0.026 0.000 0.751 216 E HN 0.246 nan 8.360 nan 0.000 0.456 217 E N 0.381 120.563 120.200 -0.031 0.000 2.023 217 E HA -0.170 4.180 4.350 0.000 0.000 0.196 217 E C 2.098 178.676 176.600 -0.037 0.000 1.003 217 E CA 1.438 57.817 56.400 -0.035 0.000 0.809 217 E CB -0.314 29.359 29.700 -0.045 0.000 0.755 217 E HN 0.054 nan 8.360 nan 0.000 0.449 218 V N 1.103 120.991 119.914 -0.044 0.000 2.324 218 V HA -0.328 3.792 4.120 0.000 0.000 0.250 218 V C 2.375 178.455 176.094 -0.023 0.000 1.060 218 V CA 1.954 64.227 62.300 -0.046 0.000 1.042 218 V CB -1.228 30.566 31.823 -0.049 0.000 0.650 218 V HN 0.466 nan 8.190 nan 0.000 0.450 219 A N 0.214 123.024 122.820 -0.016 0.000 1.849 219 A HA -0.307 4.013 4.320 0.000 0.000 0.217 219 A C 2.330 179.920 177.584 0.010 0.000 1.202 219 A CA 2.415 54.449 52.037 -0.004 0.000 0.629 219 A CB -0.698 18.296 19.000 -0.010 0.000 0.834 219 A HN 0.508 nan 8.150 nan 0.000 0.447 220 R N -0.944 119.560 120.500 0.006 0.000 2.159 220 R HA -0.256 4.084 4.340 0.000 0.000 0.249 220 R C 2.017 178.351 176.300 0.057 0.000 1.136 220 R CA 1.914 58.028 56.100 0.023 0.000 0.951 220 R CB -0.918 29.391 30.300 0.015 0.000 0.876 220 R HN 0.475 nan 8.270 nan 0.000 0.440 221 L N 0.202 121.451 121.223 0.044 0.000 2.021 221 L HA -0.220 4.120 4.340 0.000 0.000 0.215 221 L C 2.397 179.354 176.870 0.145 0.000 1.074 221 L CA 1.776 56.652 54.840 0.060 0.000 0.760 221 L CB -0.424 41.589 42.059 -0.077 0.000 0.889 221 L HN 0.227 nan 8.230 nan 0.000 0.433 222 M N -1.411 118.265 119.600 0.126 0.000 2.748 222 M HA -0.070 4.410 4.480 0.000 0.000 0.241 222 M C 1.671 178.023 176.300 0.087 0.000 1.080 222 M CA 0.776 56.172 55.300 0.162 0.000 1.068 222 M CB -0.175 32.498 32.600 0.121 0.000 1.536 222 M HN 0.378 nan 8.290 nan 0.000 0.540 223 A N -0.365 122.495 122.820 0.068 0.000 2.013 223 A HA 0.017 4.337 4.320 0.000 0.000 0.204 223 A C 1.525 179.115 177.584 0.011 0.000 1.262 223 A CA 0.277 52.331 52.037 0.028 0.000 0.800 223 A CB 0.106 19.118 19.000 0.020 0.000 0.909 223 A HN 0.325 nan 8.150 nan 0.000 0.472 224 D N -0.209 120.224 120.400 0.054 0.000 2.165 224 D HA -0.078 4.562 4.640 0.000 0.000 0.213 224 D C 0.861 177.102 176.300 -0.099 0.000 0.983 224 D CA 1.147 55.146 54.000 -0.002 0.000 0.881 224 D CB -0.817 40.022 40.800 0.065 0.000 1.028 224 D HN 0.431 nan 8.370 nan 0.000 0.457 225 Y N 1.362 121.499 120.300 -0.271 0.000 2.715 225 Y HA -0.003 4.547 4.550 0.000 0.000 0.332 225 Y C -0.141 175.290 175.900 -0.782 0.000 1.213 225 Y CA -0.150 57.586 58.100 -0.608 0.000 1.304 225 Y CB -1.332 36.575 38.460 -0.922 0.000 1.041 225 Y HN -0.065 nan 8.280 nan 0.000 0.502 226 D N -0.553 119.699 120.400 -0.246 0.000 2.745 226 D HA -0.240 4.400 4.640 0.000 0.000 0.225 226 D C -0.081 176.159 176.300 -0.099 0.000 1.212 226 D CA 0.714 54.627 54.000 -0.145 0.000 0.632 226 D CB -1.070 39.663 40.800 -0.112 0.000 0.994 226 D HN 0.127 nan 8.370 nan 0.000 0.407 227 F N -0.928 119.063 119.950 0.069 0.000 2.192 227 F HA 0.558 5.085 4.527 0.000 0.000 0.269 227 F C 2.122 177.881 175.800 -0.069 0.000 0.946 227 F CA -0.320 57.687 58.000 0.011 0.000 1.139 227 F CB 0.081 39.079 39.000 -0.004 0.000 1.877 227 F HN -0.054 nan 8.300 nan 0.000 0.571 228 T N -1.450 113.141 114.554 0.061 0.000 3.526 228 T HA 0.246 4.596 4.350 0.000 0.000 0.292 228 T C -1.533 173.054 174.700 -0.188 0.000 0.872 228 T CA 0.154 62.204 62.100 -0.082 0.000 0.843 228 T CB -0.440 68.358 68.868 -0.117 0.000 1.227 228 T HN 0.144 nan 8.240 nan 0.000 0.776 229 V N 2.560 122.294 119.914 -0.300 0.000 2.610 229 V HA 0.505 4.625 4.120 0.000 0.000 0.288 229 V C -0.872 175.112 176.094 -0.184 0.000 1.055 229 V CA -0.887 61.269 62.300 -0.239 0.000 0.902 229 V CB 1.805 33.425 31.823 -0.339 0.000 1.030 229 V HN 0.405 nan 8.190 nan 0.000 0.448 230 L N 7.428 128.587 121.223 -0.107 0.000 2.307 230 L HA 0.707 5.047 4.340 0.000 0.000 0.284 230 L C -2.280 174.503 176.870 -0.145 0.000 1.023 230 L CA -1.953 52.807 54.840 -0.133 0.000 0.810 230 L CB 3.008 45.005 42.059 -0.103 0.000 1.231 230 L HN 0.393 nan 8.230 nan 0.000 0.423 231 P HA 0.141 nan 4.420 nan 0.000 0.287 231 P C -0.991 176.151 177.300 -0.264 0.000 1.281 231 P CA -0.275 62.531 63.100 -0.490 0.000 0.781 231 P CB 1.706 32.995 31.700 -0.685 0.000 0.903 232 V N 5.018 124.774 119.914 -0.263 0.000 2.439 232 V HA 0.330 4.450 4.120 0.000 0.000 0.282 232 V C 1.004 177.023 176.094 -0.126 0.000 1.039 232 V CA -0.497 61.719 62.300 -0.139 0.000 0.913 232 V CB 1.426 33.193 31.823 -0.092 0.000 0.983 232 V HN 0.511 nan 8.190 nan 0.000 0.460 233 V N 2.054 121.938 119.914 -0.051 0.000 3.103 233 V HA 0.795 4.915 4.120 0.000 0.000 0.318 233 V C -0.636 175.454 176.094 -0.007 0.000 1.114 233 V CA -0.769 61.508 62.300 -0.038 0.000 1.020 233 V CB 2.287 34.099 31.823 -0.018 0.000 1.085 233 V HN 0.877 nan 8.190 nan 0.000 0.446 234 D N 0.393 120.797 120.400 0.007 0.000 2.449 234 D HA 0.246 4.886 4.640 0.000 0.000 0.250 234 D C 0.836 177.152 176.300 0.026 0.000 1.050 234 D CA 0.142 54.160 54.000 0.030 0.000 1.024 234 D CB 1.655 42.496 40.800 0.069 0.000 1.218 234 D HN 0.806 nan 8.370 nan 0.000 0.566 235 E N 0.378 120.598 120.200 0.033 0.000 2.200 235 E HA -0.340 4.010 4.350 0.000 0.000 0.211 235 E C 1.264 177.878 176.600 0.025 0.000 1.048 235 E CA 1.745 58.163 56.400 0.029 0.000 0.851 235 E CB -0.331 29.389 29.700 0.035 0.000 0.747 235 E HN 0.561 nan 8.360 nan 0.000 0.462 236 E N -0.345 119.867 120.200 0.019 0.000 2.140 236 E HA 0.067 4.417 4.350 0.000 0.000 0.191 236 E C 1.166 177.762 176.600 -0.007 0.000 0.973 236 E CA 0.512 56.917 56.400 0.009 0.000 0.829 236 E CB 0.552 30.256 29.700 0.007 0.000 0.781 236 E HN 0.505 nan 8.360 nan 0.000 0.466 237 G N 1.137 109.926 108.800 -0.018 0.000 2.200 237 G HA2 -0.141 3.819 3.960 0.000 0.000 0.145 237 G HA3 -0.141 3.819 3.960 0.000 0.000 0.145 237 G C -0.112 174.739 174.900 -0.081 0.000 1.021 237 G CA -0.660 44.402 45.100 -0.063 0.000 0.720 237 G HN -0.047 nan 8.290 nan 0.000 0.494 238 R N -0.245 120.229 120.500 -0.044 0.000 2.490 238 R HA 0.497 4.837 4.340 0.000 0.000 0.278 238 R C -0.150 176.112 176.300 -0.064 0.000 1.069 238 R CA -0.678 55.397 56.100 -0.041 0.000 1.080 238 R CB 1.279 31.577 30.300 -0.003 0.000 1.030 238 R HN 0.165 nan 8.270 nan 0.000 0.491 239 L N 4.236 125.402 121.223 -0.095 0.000 2.342 239 L HA 0.092 4.432 4.340 0.000 0.000 0.285 239 L C 0.072 176.897 176.870 -0.075 0.000 1.095 239 L CA 0.174 54.900 54.840 -0.189 0.000 0.843 239 L CB 1.024 42.889 42.059 -0.323 0.000 1.201 239 L HN 0.524 nan 8.230 nan 0.000 0.445 240 V N 2.658 122.558 119.914 -0.024 0.000 2.804 240 V HA 0.935 5.055 4.120 0.000 0.000 0.360 240 V C 0.317 176.526 176.094 0.192 0.000 1.282 240 V CA 0.207 62.594 62.300 0.145 0.000 1.274 240 V CB -0.434 31.466 31.823 0.129 0.000 1.415 240 V HN 0.985 nan 8.190 nan 0.000 0.610 241 G N 1.038 109.922 108.800 0.141 0.000 2.321 241 G HA2 0.405 4.365 3.960 0.000 0.000 0.339 241 G HA3 0.405 4.365 3.960 0.000 0.000 0.339 241 G C -1.347 173.493 174.900 -0.100 0.000 1.518 241 G CA -0.286 44.906 45.100 0.153 0.000 0.994 241 G HN 1.232 nan 8.290 nan 0.000 0.668 242 I N -2.247 118.324 120.570 0.002 0.000 3.042 242 I HA 0.928 5.098 4.170 0.000 0.000 0.310 242 I C -0.783 175.329 176.117 -0.009 0.000 1.117 242 I CA -1.610 59.640 61.300 -0.082 0.000 1.003 242 I CB 2.396 40.381 38.000 -0.026 0.000 1.228 242 I HN 0.446 nan 8.210 nan 0.000 0.443 243 V N 1.724 121.623 119.914 -0.026 0.000 2.577 243 V HA 0.410 4.530 4.120 0.000 0.000 0.303 243 V C 0.097 176.189 176.094 -0.003 0.000 1.042 243 V CA -0.320 61.976 62.300 -0.007 0.000 0.872 243 V CB 1.834 33.642 31.823 -0.024 0.000 0.998 243 V HN 0.945 nan 8.190 nan 0.000 0.423 244 T N 2.892 117.455 114.554 0.015 0.000 2.849 244 T HA 0.256 4.606 4.350 0.000 0.000 0.284 244 T C 1.092 175.797 174.700 0.007 0.000 1.004 244 T CA -0.101 62.009 62.100 0.016 0.000 1.021 244 T CB 2.206 71.096 68.868 0.037 0.000 1.013 244 T HN 0.430 nan 8.240 nan 0.000 0.527 245 V N 1.239 121.156 119.914 0.005 0.000 2.323 245 V HA -0.118 4.002 4.120 0.000 0.000 0.244 245 V C 2.090 178.187 176.094 0.004 0.000 1.041 245 V CA 2.407 64.711 62.300 0.007 0.000 1.025 245 V CB -0.790 31.039 31.823 0.009 0.000 0.656 245 V HN 1.044 nan 8.190 nan 0.000 0.451 246 D N -1.355 119.050 120.400 0.007 0.000 2.351 246 D HA -0.205 4.435 4.640 0.000 0.000 0.216 246 D C 1.698 177.991 176.300 -0.012 0.000 0.968 246 D CA 1.207 55.205 54.000 -0.004 0.000 0.899 246 D CB -0.388 40.415 40.800 0.005 0.000 0.907 246 D HN 0.500 nan 8.370 nan 0.000 0.514 247 D N -0.062 120.338 120.400 0.001 0.000 2.162 247 D HA -0.084 4.556 4.640 0.000 0.000 0.205 247 D C 1.857 178.153 176.300 -0.006 0.000 0.964 247 D CA 0.423 54.425 54.000 0.002 0.000 0.847 247 D CB 0.200 41.010 40.800 0.016 0.000 0.988 247 D HN 0.176 nan 8.370 nan 0.000 0.480 248 V N 1.192 121.103 119.914 -0.005 0.000 3.052 248 V HA 0.042 4.162 4.120 0.000 0.000 0.254 248 V C 2.422 178.508 176.094 -0.013 0.000 1.100 248 V CA 0.373 62.669 62.300 -0.008 0.000 1.112 248 V CB -0.219 31.602 31.823 -0.003 0.000 0.738 248 V HN 0.214 nan 8.190 nan 0.000 0.469 249 L N -0.103 121.111 121.223 -0.015 0.000 2.263 249 L HA -0.238 4.102 4.340 0.000 0.000 0.216 249 L C 1.778 178.630 176.870 -0.031 0.000 1.111 249 L CA 2.434 57.261 54.840 -0.021 0.000 0.773 249 L CB -0.179 41.865 42.059 -0.024 0.000 0.906 249 L HN 0.441 nan 8.230 nan 0.000 0.439 250 D N -1.382 118.998 120.400 -0.033 0.000 2.197 250 D HA -0.102 4.538 4.640 0.000 0.000 0.212 250 D C 2.219 178.501 176.300 -0.030 0.000 0.963 250 D CA 0.931 54.907 54.000 -0.039 0.000 0.864 250 D CB 0.107 40.880 40.800 -0.044 0.000 1.009 250 D HN 0.057 nan 8.370 nan 0.000 0.479 251 V N 1.228 121.129 119.914 -0.023 0.000 2.428 251 V HA -0.287 3.833 4.120 0.000 0.000 0.255 251 V C 2.266 178.346 176.094 -0.023 0.000 1.080 251 V CA 1.321 63.610 62.300 -0.019 0.000 1.083 251 V CB -0.456 31.358 31.823 -0.016 0.000 0.665 251 V HN 0.288 nan 8.190 nan 0.000 0.461 252 L N -0.467 120.741 121.223 -0.026 0.000 1.938 252 L HA -0.186 4.154 4.340 0.000 0.000 0.212 252 L C 2.633 179.481 176.870 -0.037 0.000 1.085 252 L CA 2.164 56.986 54.840 -0.029 0.000 0.760 252 L CB -0.715 41.327 42.059 -0.027 0.000 0.888 252 L HN 0.349 nan 8.230 nan 0.000 0.433 253 E N -0.137 120.039 120.200 -0.040 0.000 2.253 253 E HA -0.294 4.056 4.350 0.000 0.000 0.202 253 E C 1.824 178.393 176.600 -0.053 0.000 1.014 253 E CA 1.353 57.724 56.400 -0.049 0.000 0.823 253 E CB 0.088 29.759 29.700 -0.048 0.000 0.736 253 E HN 0.523 nan 8.360 nan 0.000 0.478 254 A N 1.115 123.910 122.820 -0.041 0.000 1.826 254 A HA -0.130 4.190 4.320 0.000 0.000 0.214 254 A C 2.017 179.579 177.584 -0.036 0.000 1.212 254 A CA 1.226 53.243 52.037 -0.034 0.000 0.605 254 A CB -0.451 18.537 19.000 -0.021 0.000 0.861 254 A HN 0.201 nan 8.150 nan 0.000 0.447 255 E N 0.125 120.306 120.200 -0.031 0.000 2.401 255 E HA -0.078 4.272 4.350 0.000 0.000 0.199 255 E C 2.035 178.609 176.600 -0.044 0.000 1.023 255 E CA 0.933 57.314 56.400 -0.031 0.000 0.859 255 E CB -0.313 29.370 29.700 -0.027 0.000 0.780 255 E HN 0.563 nan 8.360 nan 0.000 0.523 256 A N 0.184 122.972 122.820 -0.054 0.000 1.903 256 A HA -0.043 4.277 4.320 0.000 0.000 0.213 256 A C 2.313 179.839 177.584 -0.095 0.000 1.185 256 A CA 1.289 53.286 52.037 -0.066 0.000 0.628 256 A CB -0.300 18.664 19.000 -0.061 0.000 0.830 256 A HN 0.136 nan 8.150 nan 0.000 0.446 257 T N -0.541 113.941 114.554 -0.121 0.000 3.088 257 T HA -0.011 4.339 4.350 0.000 0.000 0.259 257 T C 1.731 176.280 174.700 -0.251 0.000 1.122 257 T CA 0.874 62.841 62.100 -0.221 0.000 1.095 257 T CB 0.004 68.723 68.868 -0.249 0.000 0.930 257 T HN 0.506 nan 8.240 nan 0.000 0.508 258 E N 1.456 121.598 120.200 -0.096 0.000 2.152 258 E HA -0.129 4.221 4.350 0.000 0.000 0.192 258 E C 1.066 177.665 176.600 -0.002 0.000 0.983 258 E CA 1.027 57.431 56.400 0.007 0.000 0.818 258 E CB 0.084 29.791 29.700 0.012 0.000 0.758 258 E HN 0.386 nan 8.360 nan 0.000 0.467 259 D N 0.449 120.821 120.400 -0.047 0.000 2.110 259 D HA -0.026 4.614 4.640 0.000 0.000 0.202 259 D C 2.089 178.355 176.300 -0.057 0.000 0.975 259 D CA 0.728 54.698 54.000 -0.051 0.000 0.839 259 D CB -0.266 40.499 40.800 -0.058 0.000 0.996 259 D HN 0.219 nan 8.370 nan 0.000 0.464 260 I N 0.288 120.808 120.570 -0.084 0.000 2.335 260 I HA -0.293 3.877 4.170 0.000 0.000 0.251 260 I C 2.101 178.192 176.117 -0.044 0.000 1.129 260 I CA 1.206 62.455 61.300 -0.086 0.000 1.402 260 I CB -0.312 37.614 38.000 -0.124 0.000 1.069 260 I HN 0.173 nan 8.210 nan 0.000 0.424 261 H N 1.110 120.135 119.070 -0.076 0.000 2.261 261 H HA -0.114 4.442 4.556 0.000 0.000 0.301 261 H C 1.841 177.097 175.328 -0.121 0.000 1.067 261 H CA 0.996 56.993 56.048 -0.084 0.000 1.297 261 H CB 0.093 29.815 29.762 -0.066 0.000 1.377 261 H HN 0.117 nan 8.280 nan 0.000 0.492 262 K N 0.670 121.080 120.400 0.017 0.000 2.589 262 K HA -0.122 4.198 4.320 0.000 0.000 0.195 262 K C -0.209 176.291 176.600 -0.166 0.000 1.042 262 K CA 0.189 56.398 56.287 -0.130 0.000 0.940 262 K CB 0.070 32.492 32.500 -0.128 0.000 0.776 262 K HN 0.090 nan 8.250 nan 0.000 0.487 263 L N 0.423 121.586 121.223 -0.101 0.000 2.923 263 L HA 0.241 4.581 4.340 0.000 0.000 0.231 263 L C 0.370 177.185 176.870 -0.092 0.000 1.300 263 L CA -0.007 54.773 54.840 -0.100 0.000 1.184 263 L CB 0.775 42.792 42.059 -0.070 0.000 1.511 263 L HN 0.175 nan 8.230 nan 0.000 0.448 264 G N -1.406 107.310 108.800 -0.140 0.000 2.356 264 G HA2 0.419 4.380 3.960 0.000 0.000 0.281 264 G HA3 0.419 4.380 3.960 0.000 0.000 0.281 264 G C 0.000 174.776 174.900 -0.207 0.000 1.246 264 G CA 0.048 45.077 45.100 -0.120 0.000 0.889 264 G HN 0.036 nan 8.290 nan 0.000 0.486 265 A N -0.859 121.874 122.820 -0.145 0.000 1.911 265 A HA 0.486 4.806 4.320 0.000 0.000 0.212 265 A C 1.471 178.918 177.584 -0.227 0.000 1.189 265 A CA 1.241 53.172 52.037 -0.177 0.000 0.639 265 A CB -0.595 18.453 19.000 0.080 0.000 0.839 265 A HN 1.487 nan 8.150 nan 0.000 0.449 266 V N 2.489 122.321 119.914 -0.136 0.000 3.009 266 V HA -0.154 3.966 4.120 0.000 0.000 0.267 266 V C -0.037 175.941 176.094 -0.193 0.000 0.967 266 V CA 1.607 63.804 62.300 -0.171 0.000 1.157 266 V CB -1.448 30.209 31.823 -0.277 0.000 0.806 266 V HN 0.610 nan 8.190 nan 0.000 0.452 267 D N 4.968 125.319 120.400 -0.082 0.000 2.483 267 D HA 0.488 5.128 4.640 0.000 0.000 0.281 267 D C -0.766 175.546 176.300 0.021 0.000 1.174 267 D CA -0.225 53.759 54.000 -0.028 0.000 0.938 267 D CB 0.928 41.804 40.800 0.127 0.000 1.002 267 D HN 0.227 nan 8.370 nan 0.000 0.501 268 V N 4.800 124.694 119.914 -0.033 0.000 2.777 268 V HA 0.356 4.476 4.120 0.000 0.000 0.306 268 V C -1.444 174.657 176.094 0.011 0.000 1.112 268 V CA -1.349 60.946 62.300 -0.008 0.000 0.917 268 V CB 2.086 33.895 31.823 -0.024 0.000 1.018 268 V HN 0.329 nan 8.190 nan 0.000 0.426 269 P HA -0.162 nan 4.420 nan 0.000 0.220 269 P C -0.001 177.335 177.300 0.060 0.000 0.963 269 P CA 0.866 63.989 63.100 0.037 0.000 1.015 269 P CB 0.195 31.911 31.700 0.026 0.000 0.609 270 D N -0.197 120.234 120.400 0.051 0.000 2.343 270 D HA 0.408 5.048 4.640 0.000 0.000 0.255 270 D C -0.333 176.016 176.300 0.081 0.000 1.187 270 D CA 0.490 54.528 54.000 0.064 0.000 0.875 270 D CB -0.239 40.587 40.800 0.043 0.000 1.136 270 D HN 0.067 nan 8.370 nan 0.000 0.469 271 L N 2.957 124.263 121.223 0.138 0.000 2.438 271 L HA 0.508 4.848 4.340 0.000 0.000 0.270 271 L C -0.716 176.283 176.870 0.216 0.000 0.972 271 L CA -0.832 54.103 54.840 0.157 0.000 0.831 271 L CB 1.881 44.002 42.059 0.103 0.000 1.273 271 L HN 0.105 nan 8.230 nan 0.000 0.405 272 V N 1.598 121.612 119.914 0.167 0.000 3.166 272 V HA 0.374 4.494 4.120 0.000 0.000 0.317 272 V C -0.280 175.960 176.094 0.244 0.000 1.136 272 V CA -0.325 62.081 62.300 0.177 0.000 1.035 272 V CB 2.429 34.321 31.823 0.116 0.000 1.110 272 V HN 0.636 nan 8.190 nan 0.000 0.450 273 Y N 0.825 121.171 120.300 0.076 0.000 2.331 273 Y HA 0.049 4.599 4.550 0.000 0.000 0.282 273 Y C 2.678 178.612 175.900 0.057 0.000 1.140 273 Y CA 1.840 59.981 58.100 0.068 0.000 1.198 273 Y CB -0.386 38.115 38.460 0.068 0.000 1.159 273 Y HN 0.604 nan 8.280 nan 0.000 0.512 274 S N 0.235 115.944 115.700 0.015 0.000 2.428 274 S HA -0.217 4.253 4.470 0.000 0.000 0.240 274 S C 0.286 174.836 174.600 -0.083 0.000 1.036 274 S CA 1.455 59.612 58.200 -0.073 0.000 1.009 274 S CB -0.511 62.711 63.200 0.036 0.000 0.803 274 S HN 0.419 nan 8.310 nan 0.000 0.486 275 E N 0.908 121.090 120.200 -0.031 0.000 2.261 275 E HA 0.673 5.023 4.350 0.000 0.000 0.239 275 E C -0.602 175.983 176.600 -0.025 0.000 0.991 275 E CA 0.275 56.669 56.400 -0.011 0.000 0.847 275 E CB 1.114 30.836 29.700 0.035 0.000 1.223 275 E HN 0.366 nan 8.360 nan 0.000 0.446 276 A N 1.828 124.606 122.820 -0.070 0.000 1.668 276 A HA 0.493 4.813 4.320 0.000 0.000 0.256 276 A C 0.227 177.765 177.584 -0.077 0.000 0.976 276 A CA -0.460 51.547 52.037 -0.050 0.000 0.862 276 A CB -0.169 18.818 19.000 -0.021 0.000 0.979 276 A HN 0.478 nan 8.150 nan 0.000 0.330 277 G N 2.309 111.089 108.800 -0.033 0.000 2.594 277 G HA2 0.457 4.417 3.960 0.000 0.000 0.243 277 G HA3 0.457 4.417 3.960 0.000 0.000 0.243 277 G C -1.012 173.892 174.900 0.006 0.000 1.229 277 G CA -0.931 44.152 45.100 -0.027 0.000 0.843 277 G HN 0.376 nan 8.290 nan 0.000 0.578 278 P HA -0.144 nan 4.420 nan 0.000 0.217 278 P C 2.015 179.384 177.300 0.116 0.000 1.148 278 P CA 0.678 63.809 63.100 0.052 0.000 0.834 278 P CB 0.121 31.830 31.700 0.014 0.000 0.783 279 V N -0.280 119.684 119.914 0.083 0.000 2.407 279 V HA -0.255 3.865 4.120 0.000 0.000 0.248 279 V C 2.398 178.653 176.094 0.269 0.000 1.055 279 V CA 2.158 64.555 62.300 0.161 0.000 1.049 279 V CB -1.680 30.190 31.823 0.079 0.000 0.662 279 V HN 0.129 nan 8.190 nan 0.000 0.455 280 A N 0.082 122.994 122.820 0.154 0.000 1.855 280 A HA -0.113 4.207 4.320 0.000 0.000 0.215 280 A C 2.213 179.872 177.584 0.125 0.000 1.191 280 A CA 1.698 53.809 52.037 0.122 0.000 0.613 280 A CB -0.558 18.482 19.000 0.068 0.000 0.829 280 A HN 0.466 nan 8.150 nan 0.000 0.442 281 L N -2.278 119.024 121.223 0.133 0.000 1.990 281 L HA -0.253 4.087 4.340 0.000 0.000 0.213 281 L C 2.531 179.489 176.870 0.146 0.000 1.072 281 L CA 2.079 56.999 54.840 0.134 0.000 0.755 281 L CB -0.828 41.333 42.059 0.170 0.000 0.889 281 L HN 0.763 nan 8.230 nan 0.000 0.432 282 W N 1.490 122.809 121.300 0.032 0.000 2.285 282 W HA -0.322 4.338 4.660 0.000 0.000 0.333 282 W C 2.372 178.905 176.519 0.023 0.000 1.290 282 W CA 2.441 59.802 57.345 0.027 0.000 1.234 282 W CB -0.798 28.672 29.460 0.017 0.000 1.154 282 W HN -0.022 nan 8.180 nan 0.000 0.463 283 L N 0.971 122.058 121.223 -0.227 0.000 2.054 283 L HA -0.291 4.049 4.340 0.000 0.000 0.220 283 L C 2.600 179.254 176.870 -0.359 0.000 1.081 283 L CA 2.565 57.092 54.840 -0.522 0.000 0.780 283 L CB -2.018 39.966 42.059 -0.124 0.000 0.893 283 L HN 0.235 nan 8.230 nan 0.000 0.438 284 A N -0.342 122.381 122.820 -0.162 0.000 1.835 284 A HA -0.122 4.198 4.320 0.000 0.000 0.213 284 A C 2.502 180.052 177.584 -0.055 0.000 1.210 284 A CA 1.205 53.191 52.037 -0.085 0.000 0.605 284 A CB -0.638 18.346 19.000 -0.027 0.000 0.860 284 A HN 0.335 nan 8.150 nan 0.000 0.447 285 R N -0.203 120.273 120.500 -0.040 0.000 2.113 285 R HA -0.165 4.175 4.340 0.000 0.000 0.244 285 R C 1.864 178.150 176.300 -0.022 0.000 1.142 285 R CA 2.162 58.262 56.100 -0.000 0.000 0.953 285 R CB -0.649 29.664 30.300 0.020 0.000 0.860 285 R HN 0.323 nan 8.270 nan 0.000 0.438 286 V N 1.101 120.916 119.914 -0.165 0.000 3.141 286 V HA -0.132 3.988 4.120 0.000 0.000 0.265 286 V C 2.467 178.435 176.094 -0.210 0.000 1.126 286 V CA 1.555 63.725 62.300 -0.216 0.000 1.141 286 V CB -0.543 31.000 31.823 -0.467 0.000 0.743 286 V HN 0.377 nan 8.190 nan 0.000 0.492 287 R N -1.226 119.151 120.500 -0.205 0.000 2.070 287 R HA -0.194 4.146 4.340 0.000 0.000 0.233 287 R C 1.991 178.125 176.300 -0.276 0.000 1.137 287 R CA 2.737 58.691 56.100 -0.244 0.000 0.945 287 R CB -0.425 29.751 30.300 -0.207 0.000 0.845 287 R HN 0.601 nan 8.270 nan 0.000 0.430 288 W N 0.295 121.532 121.300 -0.105 0.000 2.413 288 W HA -0.056 4.604 4.660 0.000 0.000 0.315 288 W C 1.967 178.448 176.519 -0.063 0.000 1.186 288 W CA 0.404 57.704 57.345 -0.074 0.000 1.326 288 W CB -0.555 28.867 29.460 -0.064 0.000 1.153 288 W HN 0.078 nan 8.180 nan 0.000 0.489 289 L N 0.445 121.758 121.223 0.149 0.000 2.283 289 L HA -0.253 4.087 4.340 0.000 0.000 0.217 289 L C 1.642 178.528 176.870 0.027 0.000 1.104 289 L CA 1.446 56.335 54.840 0.082 0.000 0.772 289 L CB -1.039 41.050 42.059 0.050 0.000 0.899 289 L HN -0.028 nan 8.230 nan 0.000 0.439 290 V N -0.339 119.556 119.914 -0.031 0.000 2.326 290 V HA -0.203 3.917 4.120 0.000 0.000 0.238 290 V C 2.351 178.400 176.094 -0.075 0.000 1.038 290 V CA 1.221 63.483 62.300 -0.062 0.000 1.032 290 V CB -0.105 31.652 31.823 -0.110 0.000 0.675 290 V HN 0.237 nan 8.190 nan 0.000 0.467 291 I N -0.152 120.329 120.570 -0.148 0.000 2.399 291 I HA -0.280 3.890 4.170 0.000 0.000 0.254 291 I C 2.340 178.426 176.117 -0.051 0.000 1.146 291 I CA 1.280 62.488 61.300 -0.153 0.000 1.412 291 I CB -0.393 37.420 38.000 -0.312 0.000 1.076 291 I HN 0.281 nan 8.210 nan 0.000 0.432 292 L N 0.283 121.516 121.223 0.016 0.000 2.046 292 L HA -0.152 4.188 4.340 0.000 0.000 0.208 292 L C 1.838 178.728 176.870 0.033 0.000 1.077 292 L CA 1.597 56.479 54.840 0.070 0.000 0.747 292 L CB -0.366 41.766 42.059 0.121 0.000 0.896 292 L HN 0.172 nan 8.230 nan 0.000 0.432 293 I N -0.680 119.900 120.570 0.018 0.000 3.752 293 I HA -0.006 4.164 4.170 0.000 0.000 0.313 293 I C 1.664 177.781 176.117 -0.000 0.000 1.304 293 I CA 0.612 61.919 61.300 0.011 0.000 1.171 293 I CB -0.999 37.009 38.000 0.014 0.000 1.038 293 I HN 0.251 nan 8.210 nan 0.000 0.427 294 L N 0.131 121.348 121.223 -0.010 0.000 2.269 294 L HA 0.010 4.350 4.340 0.000 0.000 0.200 294 L C 2.180 179.044 176.870 -0.009 0.000 1.069 294 L CA 0.933 55.763 54.840 -0.017 0.000 0.804 294 L CB -0.015 42.022 42.059 -0.037 0.000 0.987 294 L HN 0.042 nan 8.230 nan 0.000 0.468 295 T N -0.323 114.228 114.554 -0.005 0.000 2.857 295 T HA -0.026 4.324 4.350 0.000 0.000 0.266 295 T C 1.620 176.323 174.700 0.005 0.000 1.048 295 T CA 1.025 63.125 62.100 0.001 0.000 1.139 295 T CB -0.494 68.377 68.868 0.005 0.000 0.874 295 T HN 0.586 nan 8.240 nan 0.000 0.455 296 G N 1.454 110.259 108.800 0.008 0.000 2.432 296 G HA2 -0.195 3.765 3.960 0.000 0.000 0.219 296 G HA3 -0.195 3.765 3.960 0.000 0.000 0.219 296 G C 1.556 176.461 174.900 0.007 0.000 1.135 296 G CA 0.597 45.702 45.100 0.009 0.000 0.767 296 G HN 0.389 nan 8.290 nan 0.000 0.550 297 M N 0.364 119.968 119.600 0.006 0.000 2.073 297 M HA -0.155 4.325 4.480 0.000 0.000 0.258 297 M C 2.677 178.982 176.300 0.009 0.000 1.070 297 M CA 1.524 56.828 55.300 0.007 0.000 1.103 297 M CB -0.688 31.915 32.600 0.005 0.000 1.321 297 M HN 0.140 nan 8.290 nan 0.000 0.405 298 V N 0.323 120.242 119.914 0.008 0.000 2.660 298 V HA -0.275 3.845 4.120 0.000 0.000 0.257 298 V C 2.585 178.687 176.094 0.012 0.000 1.088 298 V CA 2.152 64.460 62.300 0.012 0.000 1.106 298 V CB -2.225 29.604 31.823 0.010 0.000 0.686 298 V HN 0.703 nan 8.190 nan 0.000 0.481 299 T N -2.086 112.472 114.554 0.007 0.000 2.684 299 T HA -0.266 4.084 4.350 0.000 0.000 0.267 299 T C 2.008 176.713 174.700 0.008 0.000 1.036 299 T CA 2.107 64.208 62.100 0.002 0.000 1.148 299 T CB -0.533 68.333 68.868 -0.002 0.000 0.863 299 T HN 0.455 nan 8.240 nan 0.000 0.436 300 S N 0.163 115.871 115.700 0.013 0.000 2.461 300 S HA 0.036 4.506 4.470 0.000 0.000 0.228 300 S C 2.272 176.892 174.600 0.032 0.000 1.005 300 S CA 0.971 59.184 58.200 0.020 0.000 0.942 300 S CB -0.752 62.459 63.200 0.018 0.000 0.776 300 S HN 0.617 nan 8.310 nan 0.000 0.514 301 S N 1.186 116.905 115.700 0.032 0.000 2.402 301 S HA 0.118 4.588 4.470 0.000 0.000 0.229 301 S C 1.592 176.232 174.600 0.067 0.000 1.021 301 S CA 0.886 59.112 58.200 0.043 0.000 0.974 301 S CB -0.233 62.988 63.200 0.035 0.000 0.800 301 S HN 0.523 nan 8.310 nan 0.000 0.484 302 I N 0.999 121.607 120.570 0.064 0.000 2.406 302 I HA -0.023 4.147 4.170 0.000 0.000 0.249 302 I C 1.732 177.916 176.117 0.112 0.000 1.122 302 I CA 0.696 62.053 61.300 0.095 0.000 1.431 302 I CB -0.127 37.895 38.000 0.036 0.000 1.087 302 I HN 0.230 nan 8.210 nan 0.000 0.424 303 L N 0.715 121.976 121.223 0.063 0.000 2.549 303 L HA -0.219 4.121 4.340 0.000 0.000 0.230 303 L C 2.275 179.217 176.870 0.120 0.000 1.162 303 L CA 1.398 56.280 54.840 0.070 0.000 0.834 303 L CB -0.438 41.648 42.059 0.045 0.000 0.947 303 L HN 0.472 nan 8.230 nan 0.000 0.452 304 Q N -0.500 119.375 119.800 0.124 0.000 2.159 304 Q HA -0.041 4.299 4.340 0.000 0.000 0.194 304 Q C 2.118 178.208 176.000 0.150 0.000 0.968 304 Q CA 0.997 56.869 55.803 0.115 0.000 0.837 304 Q CB -0.075 28.709 28.738 0.077 0.000 0.920 304 Q HN 0.393 nan 8.270 nan 0.000 0.485 305 G N 0.366 109.274 108.800 0.181 0.000 2.550 305 G HA2 -0.244 3.716 3.960 0.000 0.000 0.222 305 G HA3 -0.244 3.716 3.960 0.000 0.000 0.222 305 G C 0.343 175.295 174.900 0.086 0.000 1.113 305 G CA 0.727 45.913 45.100 0.143 0.000 0.748 305 G HN 0.315 nan 8.290 nan 0.000 0.585 306 F N 0.732 120.701 119.950 0.031 0.000 2.732 306 F HA 0.316 4.843 4.527 0.000 0.000 0.312 306 F C 1.480 177.301 175.800 0.036 0.000 1.240 306 F CA -0.817 57.204 58.000 0.034 0.000 1.211 306 F CB 0.421 39.448 39.000 0.044 0.000 1.331 306 F HN 0.435 nan 8.300 nan 0.000 0.537 307 E N -1.610 118.673 120.200 0.138 0.000 2.307 307 E HA -0.016 4.334 4.350 0.000 0.000 0.195 307 E C 1.517 178.156 176.600 0.065 0.000 0.975 307 E CA 0.712 57.172 56.400 0.099 0.000 0.878 307 E CB -0.023 29.720 29.700 0.071 0.000 0.845 307 E HN 0.171 nan 8.360 nan 0.000 0.488 308 S N 1.204 116.925 115.700 0.034 0.000 2.351 308 S HA -0.144 4.326 4.470 0.000 0.000 0.220 308 S C 2.024 176.643 174.600 0.032 0.000 1.035 308 S CA 1.570 59.780 58.200 0.016 0.000 1.031 308 S CB -0.327 62.863 63.200 -0.017 0.000 0.928 308 S HN 0.188 nan 8.310 nan 0.000 0.433 309 V N 1.603 121.545 119.914 0.046 0.000 2.970 309 V HA 0.023 4.143 4.120 0.000 0.000 0.260 309 V C 1.965 178.108 176.094 0.082 0.000 1.100 309 V CA 0.860 63.197 62.300 0.063 0.000 1.122 309 V CB -0.676 31.198 31.823 0.084 0.000 0.721 309 V HN 0.344 nan 8.190 nan 0.000 0.483 310 L N -0.109 121.173 121.223 0.099 0.000 2.095 310 L HA -0.071 4.269 4.340 0.000 0.000 0.204 310 L C 2.518 179.432 176.870 0.073 0.000 1.080 310 L CA 1.416 56.316 54.840 0.100 0.000 0.759 310 L CB -0.144 41.986 42.059 0.119 0.000 0.914 310 L HN 0.337 nan 8.230 nan 0.000 0.439 311 E N -0.286 119.948 120.200 0.057 0.000 2.472 311 E HA -0.190 4.160 4.350 0.000 0.000 0.200 311 E C 1.822 178.448 176.600 0.044 0.000 1.046 311 E CA 0.725 57.153 56.400 0.046 0.000 0.871 311 E CB 0.195 29.915 29.700 0.034 0.000 0.806 311 E HN 0.542 nan 8.360 nan 0.000 0.533 312 A N 0.080 122.928 122.820 0.045 0.000 1.935 312 A HA -0.002 4.318 4.320 0.000 0.000 0.214 312 A C 1.820 179.430 177.584 0.044 0.000 1.178 312 A CA 0.347 52.407 52.037 0.039 0.000 0.640 312 A CB 0.142 19.162 19.000 0.034 0.000 0.825 312 A HN 0.157 nan 8.150 nan 0.000 0.447 313 V N 1.204 121.151 119.914 0.055 0.000 3.513 313 V HA -0.051 4.069 4.120 0.000 0.000 0.311 313 V C 1.842 177.983 176.094 0.078 0.000 1.218 313 V CA 1.202 63.538 62.300 0.060 0.000 1.266 313 V CB -1.851 30.019 31.823 0.078 0.000 1.074 313 V HN 0.517 nan 8.190 nan 0.000 0.421 314 T N 2.148 116.742 114.554 0.067 0.000 2.496 314 T HA -0.183 4.167 4.350 0.000 0.000 0.254 314 T C 2.015 176.775 174.700 0.100 0.000 1.161 314 T CA 1.901 64.043 62.100 0.071 0.000 1.231 314 T CB -0.313 68.587 68.868 0.052 0.000 0.866 314 T HN 0.638 nan 8.240 nan 0.000 0.396 315 A N 0.505 123.381 122.820 0.092 0.000 2.349 315 A HA 0.097 4.417 4.320 0.000 0.000 0.208 315 A C 0.792 178.529 177.584 0.255 0.000 1.268 315 A CA 0.967 53.088 52.037 0.139 0.000 0.739 315 A CB -0.698 18.360 19.000 0.096 0.000 0.756 315 A HN 0.371 nan 8.150 nan 0.000 0.519 316 L N -4.576 116.790 121.223 0.239 0.000 2.542 316 L HA 0.744 5.084 4.340 0.000 0.000 0.239 316 L C 1.185 178.234 176.870 0.298 0.000 1.256 316 L CA 0.639 55.577 54.840 0.164 0.000 1.282 316 L CB 0.376 42.419 42.059 -0.028 0.000 1.667 316 L HN 1.013 nan 8.230 nan 0.000 0.484 317 A N -0.785 122.140 122.820 0.175 0.000 3.396 317 A HA -0.280 4.040 4.320 0.000 0.000 0.267 317 A C 1.222 178.937 177.584 0.218 0.000 1.139 317 A CA 1.732 53.937 52.037 0.281 0.000 1.115 317 A CB -2.872 16.280 19.000 0.253 0.000 1.133 317 A HN 0.820 nan 8.150 nan 0.000 0.920 318 F N -2.304 117.557 119.950 -0.148 0.000 2.605 318 F HA 0.007 4.534 4.527 0.000 0.000 0.296 318 F C 1.210 176.849 175.800 -0.268 0.000 1.146 318 F CA 0.452 58.310 58.000 -0.238 0.000 1.478 318 F CB -0.509 38.288 39.000 -0.337 0.000 1.107 318 F HN 0.470 nan 8.300 nan 0.000 0.600 319 Y N 0.334 120.660 120.300 0.044 0.000 2.933 319 Y HA 0.275 4.825 4.550 0.000 0.000 0.380 319 Y C 0.870 176.592 175.900 -0.297 0.000 1.056 319 Y CA -0.641 57.431 58.100 -0.047 0.000 1.704 319 Y CB 0.216 38.704 38.460 0.046 0.000 1.558 319 Y HN -0.060 nan 8.280 nan 0.000 0.501 320 V N -0.395 119.438 119.914 -0.135 0.000 3.612 320 V HA 0.069 4.189 4.120 0.000 0.000 0.268 320 V C -1.461 174.562 176.094 -0.119 0.000 1.365 320 V CA -0.023 62.118 62.300 -0.265 0.000 1.044 320 V CB 0.096 31.796 31.823 -0.205 0.000 0.820 320 V HN 0.305 nan 8.190 nan 0.000 0.444 321 P HA 0.019 nan 4.420 nan 0.000 0.211 321 P C 1.901 179.206 177.300 0.008 0.000 1.188 321 P CA 1.129 64.225 63.100 -0.006 0.000 0.904 321 P CB -0.038 31.674 31.700 0.020 0.000 0.765 322 V N 0.099 120.041 119.914 0.047 0.000 2.392 322 V HA -0.227 3.893 4.120 0.000 0.000 0.249 322 V C 2.536 178.647 176.094 0.028 0.000 1.059 322 V CA 1.659 63.994 62.300 0.057 0.000 1.051 322 V CB -1.401 30.488 31.823 0.109 0.000 0.658 322 V HN 0.021 nan 8.190 nan 0.000 0.455 323 L N -0.824 120.400 121.223 0.000 0.000 2.023 323 L HA -0.085 4.255 4.340 0.000 0.000 0.205 323 L C 2.284 179.128 176.870 -0.042 0.000 1.073 323 L CA 1.543 56.361 54.840 -0.036 0.000 0.745 323 L CB -0.232 41.748 42.059 -0.132 0.000 0.900 323 L HN 0.260 nan 8.230 nan 0.000 0.435 324 L N -0.075 121.102 121.223 -0.077 0.000 2.275 324 L HA 0.001 4.341 4.340 0.000 0.000 0.215 324 L C 2.119 178.980 176.870 -0.015 0.000 1.119 324 L CA 1.711 56.522 54.840 -0.049 0.000 0.790 324 L CB -0.850 41.168 42.059 -0.068 0.000 0.919 324 L HN 0.325 nan 8.230 nan 0.000 0.443 325 G N -2.236 106.560 108.800 -0.008 0.000 2.404 325 G HA2 -0.180 3.780 3.960 0.000 0.000 0.213 325 G HA3 -0.180 3.780 3.960 0.000 0.000 0.213 325 G C 1.430 176.338 174.900 0.014 0.000 1.189 325 G CA 0.864 45.967 45.100 0.005 0.000 0.796 325 G HN 0.343 nan 8.290 nan 0.000 0.532 326 T N 1.251 115.816 114.554 0.019 0.000 2.759 326 T HA -0.089 4.261 4.350 0.000 0.000 0.269 326 T C 2.429 177.149 174.700 0.032 0.000 1.042 326 T CA 1.485 63.601 62.100 0.027 0.000 1.140 326 T CB -0.522 68.365 68.868 0.032 0.000 0.864 326 T HN 0.350 nan 8.240 nan 0.000 0.455 327 G N 0.577 109.397 108.800 0.033 0.000 2.448 327 G HA2 0.017 3.977 3.960 0.000 0.000 0.219 327 G HA3 0.017 3.977 3.960 0.000 0.000 0.219 327 G C 1.585 176.505 174.900 0.033 0.000 1.127 327 G CA 0.882 46.009 45.100 0.045 0.000 0.766 327 G HN 0.575 nan 8.290 nan 0.000 0.552 328 G N 0.756 109.568 108.800 0.021 0.000 2.404 328 G HA2 -0.144 3.817 3.960 0.000 0.000 0.213 328 G HA3 -0.144 3.817 3.960 0.000 0.000 0.213 328 G C 1.567 176.475 174.900 0.013 0.000 1.189 328 G CA 0.775 45.883 45.100 0.013 0.000 0.796 328 G HN 0.537 nan 8.290 nan 0.000 0.532 329 N N 0.194 118.903 118.700 0.016 0.000 2.060 329 N HA -0.166 4.574 4.740 0.000 0.000 0.195 329 N C 2.230 177.750 175.510 0.017 0.000 1.028 329 N CA 1.715 54.774 53.050 0.015 0.000 0.861 329 N CB -0.291 38.207 38.487 0.019 0.000 1.029 329 N HN 0.230 nan 8.380 nan 0.000 0.428 330 T N 0.235 114.803 114.554 0.024 0.000 2.614 330 T HA -0.122 4.228 4.350 0.000 0.000 0.263 330 T C 2.083 176.794 174.700 0.018 0.000 1.055 330 T CA 1.446 63.561 62.100 0.026 0.000 1.162 330 T CB -0.995 67.896 68.868 0.038 0.000 0.863 330 T HN 0.461 nan 8.240 nan 0.000 0.414 331 G N 1.771 110.580 108.800 0.015 0.000 2.562 331 G HA2 -0.326 3.634 3.960 0.000 0.000 0.223 331 G HA3 -0.326 3.634 3.960 0.000 0.000 0.223 331 G C 1.563 176.465 174.900 0.004 0.000 1.102 331 G CA 1.287 46.391 45.100 0.006 0.000 0.742 331 G HN 0.395 nan 8.290 nan 0.000 0.587 332 N N 0.331 119.033 118.700 0.004 0.000 2.085 332 N HA -0.037 4.703 4.740 0.000 0.000 0.191 332 N C 2.375 177.886 175.510 0.001 0.000 1.058 332 N CA 1.309 54.358 53.050 -0.002 0.000 0.849 332 N CB -0.637 37.849 38.487 -0.003 0.000 1.038 332 N HN 0.424 nan 8.380 nan 0.000 0.434 333 Q N 0.287 120.090 119.800 0.006 0.000 2.124 333 Q HA -0.297 4.043 4.340 0.000 0.000 0.215 333 Q C 2.031 178.039 176.000 0.013 0.000 1.015 333 Q CA 2.205 58.014 55.803 0.009 0.000 0.890 333 Q CB -0.595 28.151 28.738 0.015 0.000 0.966 333 Q HN 0.379 nan 8.270 nan 0.000 0.412 334 S N 0.117 115.827 115.700 0.017 0.000 2.414 334 S HA -0.281 4.189 4.470 0.000 0.000 0.225 334 S C 2.055 176.675 174.600 0.033 0.000 1.041 334 S CA 1.817 60.033 58.200 0.027 0.000 1.114 334 S CB -0.547 62.666 63.200 0.021 0.000 1.064 334 S HN 0.501 nan 8.310 nan 0.000 0.420 335 A N 0.530 123.364 122.820 0.023 0.000 1.892 335 A HA -0.110 4.210 4.320 0.000 0.000 0.218 335 A C 2.453 180.034 177.584 -0.005 0.000 1.188 335 A CA 2.634 54.681 52.037 0.015 0.000 0.631 335 A CB -1.887 17.112 19.000 -0.001 0.000 0.822 335 A HN 0.673 nan 8.150 nan 0.000 0.447 336 T N 0.631 115.179 114.554 -0.011 0.000 2.580 336 T HA -0.191 4.159 4.350 0.000 0.000 0.265 336 T C 1.832 176.521 174.700 -0.018 0.000 1.063 336 T CA 1.687 63.774 62.100 -0.021 0.000 1.170 336 T CB -0.577 68.280 68.868 -0.018 0.000 0.863 336 T HN 0.389 nan 8.240 nan 0.000 0.418 337 L N 0.226 121.447 121.223 -0.003 0.000 1.997 337 L HA -0.164 4.176 4.340 0.000 0.000 0.216 337 L C 2.611 179.483 176.870 0.002 0.000 1.074 337 L CA 1.633 56.475 54.840 0.004 0.000 0.763 337 L CB -0.718 41.352 42.059 0.020 0.000 0.890 337 L HN 0.312 nan 8.230 nan 0.000 0.434 338 I N -0.433 120.149 120.570 0.021 0.000 2.202 338 I HA -0.305 3.865 4.170 0.000 0.000 0.242 338 I C 2.531 178.591 176.117 -0.095 0.000 1.091 338 I CA 1.316 62.622 61.300 0.009 0.000 1.368 338 I CB -0.181 37.892 38.000 0.123 0.000 1.058 338 I HN 0.202 nan 8.210 nan 0.000 0.410 339 I N 1.130 121.650 120.570 -0.083 0.000 2.091 339 I HA -0.383 3.787 4.170 0.000 0.000 0.239 339 I C 2.853 178.908 176.117 -0.105 0.000 1.061 339 I CA 2.060 63.292 61.300 -0.113 0.000 1.317 339 I CB -0.451 37.500 38.000 -0.082 0.000 1.031 339 I HN 0.321 nan 8.210 nan 0.000 0.401 340 R N 1.799 122.255 120.500 -0.073 0.000 2.105 340 R HA -0.143 4.197 4.340 0.000 0.000 0.239 340 R C 2.211 178.472 176.300 -0.064 0.000 1.135 340 R CA 1.650 57.713 56.100 -0.063 0.000 0.967 340 R CB -0.857 29.415 30.300 -0.046 0.000 0.861 340 R HN 0.291 nan 8.270 nan 0.000 0.442 341 A N 1.812 124.594 122.820 -0.064 0.000 1.841 341 A HA -0.125 4.195 4.320 0.000 0.000 0.216 341 A C 2.329 179.862 177.584 -0.086 0.000 1.199 341 A CA 1.762 53.764 52.037 -0.057 0.000 0.621 341 A CB -0.897 18.080 19.000 -0.038 0.000 0.835 341 A HN 0.348 nan 8.150 nan 0.000 0.445 342 L N -0.760 120.373 121.223 -0.149 0.000 2.151 342 L HA -0.328 4.012 4.340 0.000 0.000 0.215 342 L C 2.942 179.747 176.870 -0.108 0.000 1.084 342 L CA 1.447 56.182 54.840 -0.175 0.000 0.764 342 L CB -0.475 41.425 42.059 -0.266 0.000 0.891 342 L HN 0.497 nan 8.230 nan 0.000 0.435 343 A N -1.235 121.531 122.820 -0.091 0.000 1.874 343 A HA -0.094 4.226 4.320 0.000 0.000 0.214 343 A C 2.075 179.629 177.584 -0.049 0.000 1.189 343 A CA 1.566 53.563 52.037 -0.066 0.000 0.615 343 A CB -0.668 18.294 19.000 -0.064 0.000 0.830 343 A HN 0.343 nan 8.150 nan 0.000 0.443 344 T N -0.212 114.315 114.554 -0.045 0.000 3.496 344 T HA 0.127 4.477 4.350 0.000 0.000 0.253 344 T C 0.739 175.423 174.700 -0.026 0.000 1.134 344 T CA 0.672 62.753 62.100 -0.032 0.000 0.993 344 T CB -0.517 68.334 68.868 -0.029 0.000 1.018 344 T HN 0.521 nan 8.240 nan 0.000 0.571 345 R N 0.517 120.999 120.500 -0.029 0.000 4.023 345 R HA -0.149 4.191 4.340 0.000 0.000 0.368 345 R C -0.144 176.148 176.300 -0.013 0.000 1.187 345 R CA 1.050 57.138 56.100 -0.020 0.000 1.089 345 R CB -1.164 29.129 30.300 -0.011 0.000 1.574 345 R HN 0.395 nan 8.270 nan 0.000 0.564 346 D N 0.679 121.070 120.400 -0.016 0.000 2.256 346 D HA 0.396 5.036 4.640 0.000 0.000 0.250 346 D C 0.670 176.973 176.300 0.004 0.000 1.093 346 D CA 0.303 54.301 54.000 -0.003 0.000 0.882 346 D CB 0.527 41.325 40.800 -0.004 0.000 1.185 346 D HN 0.147 nan 8.370 nan 0.000 0.437 347 L N 1.528 122.771 121.223 0.032 0.000 0.640 347 L HA -0.302 4.038 4.340 0.000 0.000 0.356 347 L C -0.382 176.522 176.870 0.057 0.000 0.995 347 L CA 0.324 55.207 54.840 0.071 0.000 1.223 347 L CB -0.912 41.198 42.059 0.085 0.000 0.095 347 L HN 0.515 nan 8.230 nan 0.000 0.099 348 D N -2.313 118.158 120.400 0.118 0.000 3.010 348 D HA 0.402 5.042 4.640 0.000 0.000 0.353 348 D C -0.023 176.404 176.300 0.211 0.000 1.415 348 D CA -0.047 54.012 54.000 0.098 0.000 0.864 348 D CB 0.388 41.245 40.800 0.095 0.000 1.445 348 D HN 0.509 nan 8.370 nan 0.000 0.516 349 L N 0.630 121.956 121.223 0.171 0.000 2.376 349 L HA 0.213 4.553 4.340 0.000 0.000 0.219 349 L C 1.546 178.618 176.870 0.337 0.000 1.133 349 L CA 1.464 56.439 54.840 0.225 0.000 0.816 349 L CB -0.203 41.917 42.059 0.102 0.000 0.933 349 L HN 0.458 nan 8.230 nan 0.000 0.449 350 R N -1.862 118.816 120.500 0.296 0.000 2.312 350 R HA 0.172 4.512 4.340 0.000 0.000 0.205 350 R C 0.319 176.798 176.300 0.297 0.000 0.904 350 R CA 0.585 56.878 56.100 0.323 0.000 1.052 350 R CB -0.453 29.957 30.300 0.185 0.000 1.014 350 R HN 0.218 nan 8.270 nan 0.000 0.503 351 D N 0.964 121.556 120.400 0.320 0.000 2.336 351 D HA -0.000 4.640 4.640 0.000 0.000 0.228 351 D C 0.983 177.433 176.300 0.251 0.000 1.120 351 D CA 0.037 54.179 54.000 0.236 0.000 0.839 351 D CB 0.008 40.950 40.800 0.237 0.000 0.932 351 D HN 0.446 nan 8.370 nan 0.000 0.509 352 W N 0.723 122.050 121.300 0.044 0.000 2.453 352 W HA -0.032 4.628 4.660 0.000 0.000 0.289 352 W C 1.251 177.647 176.519 -0.206 0.000 1.215 352 W CA 0.192 57.320 57.345 -0.362 0.000 1.297 352 W CB -0.765 28.472 29.460 -0.372 0.000 1.113 352 W HN -0.057 nan 8.180 nan 0.000 0.551 353 R N 0.556 120.372 120.500 -1.141 0.000 2.070 353 R HA -0.118 4.222 4.340 0.000 0.000 0.232 353 R C 2.541 178.602 176.300 -0.399 0.000 1.138 353 R CA 1.562 57.058 56.100 -1.007 0.000 0.936 353 R CB -0.892 28.881 30.300 -0.877 0.000 0.839 353 R HN -0.040 nan 8.270 nan 0.000 0.429 354 R N 1.457 121.795 120.500 -0.271 0.000 2.170 354 R HA -0.139 4.201 4.340 0.000 0.000 0.242 354 R C 1.998 178.259 176.300 -0.066 0.000 1.145 354 R CA 1.898 57.922 56.100 -0.128 0.000 0.984 354 R CB -0.189 30.073 30.300 -0.063 0.000 0.869 354 R HN 0.297 nan 8.270 nan 0.000 0.455 355 V N -2.072 117.808 119.914 -0.057 0.000 2.500 355 V HA -0.078 4.042 4.120 0.000 0.000 0.243 355 V C 2.290 178.415 176.094 0.050 0.000 1.039 355 V CA 1.080 63.384 62.300 0.006 0.000 1.053 355 V CB -1.242 30.591 31.823 0.017 0.000 0.695 355 V HN 0.167 nan 8.190 nan 0.000 0.463 356 F N 1.077 120.911 119.950 -0.194 0.000 2.085 356 F HA -0.279 4.248 4.527 0.000 0.000 0.299 356 F C 2.161 177.904 175.800 -0.095 0.000 1.096 356 F CA 2.089 60.004 58.000 -0.142 0.000 1.227 356 F CB 0.050 38.952 39.000 -0.162 0.000 0.983 356 F HN 0.111 nan 8.300 nan 0.000 0.482 357 L N 0.347 121.536 121.223 -0.057 0.000 1.973 357 L HA -0.248 4.092 4.340 0.000 0.000 0.208 357 L C 2.437 179.285 176.870 -0.037 0.000 1.073 357 L CA 1.694 56.446 54.840 -0.147 0.000 0.746 357 L CB -1.062 40.892 42.059 -0.175 0.000 0.891 357 L HN 0.039 nan 8.230 nan 0.000 0.433 358 K N 0.168 120.556 120.400 -0.019 0.000 2.163 358 K HA -0.306 4.014 4.320 0.000 0.000 0.210 358 K C 2.004 178.623 176.600 0.032 0.000 1.048 358 K CA 2.122 58.412 56.287 0.006 0.000 0.928 358 K CB 0.026 32.534 32.500 0.013 0.000 0.716 358 K HN 0.119 nan 8.250 nan 0.000 0.459 359 E N 0.099 120.328 120.200 0.047 0.000 2.112 359 E HA -0.020 4.330 4.350 0.000 0.000 0.190 359 E C 1.845 178.480 176.600 0.058 0.000 0.979 359 E CA 1.073 57.500 56.400 0.045 0.000 0.814 359 E CB 0.007 29.729 29.700 0.036 0.000 0.762 359 E HN 0.309 nan 8.360 nan 0.000 0.460 360 M N -0.627 119.033 119.600 0.100 0.000 2.192 360 M HA -0.179 4.301 4.480 0.000 0.000 0.259 360 M C 2.126 178.654 176.300 0.381 0.000 1.071 360 M CA 1.761 57.261 55.300 0.334 0.000 1.082 360 M CB -0.598 32.166 32.600 0.274 0.000 1.373 360 M HN 0.238 nan 8.290 nan 0.000 0.408 361 G N 0.230 109.128 108.800 0.163 0.000 2.434 361 G HA2 -0.113 3.847 3.960 0.000 0.000 0.214 361 G HA3 -0.113 3.847 3.960 0.000 0.000 0.214 361 G C 1.415 176.387 174.900 0.121 0.000 1.202 361 G CA 1.046 46.213 45.100 0.112 0.000 0.788 361 G HN 0.406 nan 8.290 nan 0.000 0.539 362 V N 1.095 121.065 119.914 0.094 0.000 2.469 362 V HA -0.033 4.087 4.120 0.000 0.000 0.251 362 V C 2.944 179.108 176.094 0.116 0.000 1.064 362 V CA 1.775 64.124 62.300 0.081 0.000 1.066 362 V CB -1.566 30.289 31.823 0.054 0.000 0.667 362 V HN 0.362 nan 8.190 nan 0.000 0.461 363 G N 0.235 109.134 108.800 0.164 0.000 2.511 363 G HA2 -0.242 3.718 3.960 0.000 0.000 0.216 363 G HA3 -0.242 3.718 3.960 0.000 0.000 0.216 363 G C 1.597 176.729 174.900 0.387 0.000 1.218 363 G CA 1.110 46.361 45.100 0.251 0.000 0.788 363 G HN 0.477 nan 8.290 nan 0.000 0.560 364 L N -0.222 121.289 121.223 0.479 0.000 2.362 364 L HA 0.175 4.515 4.340 0.000 0.000 0.219 364 L C 2.672 179.594 176.870 0.088 0.000 1.134 364 L CA 0.264 55.197 54.840 0.155 0.000 0.807 364 L CB -0.027 41.982 42.059 -0.082 0.000 0.927 364 L HN 0.218 nan 8.230 nan 0.000 0.447 365 L N -1.265 120.020 121.223 0.104 0.000 2.072 365 L HA -0.188 4.152 4.340 0.000 0.000 0.205 365 L C 2.153 179.061 176.870 0.063 0.000 1.079 365 L CA 1.202 56.079 54.840 0.061 0.000 0.752 365 L CB -0.087 42.004 42.059 0.052 0.000 0.906 365 L HN 0.196 nan 8.230 nan 0.000 0.436 366 L N -1.408 119.865 121.223 0.083 0.000 2.007 366 L HA -0.089 4.251 4.340 0.000 0.000 0.205 366 L C 2.602 179.520 176.870 0.079 0.000 1.073 366 L CA 1.347 56.232 54.840 0.076 0.000 0.744 366 L CB -1.397 40.709 42.059 0.079 0.000 0.898 366 L HN 0.328 nan 8.230 nan 0.000 0.435 367 G N 0.513 109.372 108.800 0.098 0.000 2.597 367 G HA2 -0.295 3.665 3.960 0.000 0.000 0.222 367 G HA3 -0.295 3.665 3.960 0.000 0.000 0.222 367 G C 1.528 176.466 174.900 0.063 0.000 1.135 367 G CA 1.330 46.482 45.100 0.087 0.000 0.759 367 G HN 0.254 nan 8.290 nan 0.000 0.595 368 L N 0.464 121.719 121.223 0.054 0.000 2.044 368 L HA -0.060 4.280 4.340 0.000 0.000 0.205 368 L C 3.240 180.159 176.870 0.081 0.000 1.075 368 L CA 1.857 56.726 54.840 0.049 0.000 0.747 368 L CB -1.574 40.500 42.059 0.024 0.000 0.903 368 L HN 0.291 nan 8.230 nan 0.000 0.435 369 T N 0.539 115.139 114.554 0.077 0.000 2.720 369 T HA -0.157 4.193 4.350 0.000 0.000 0.268 369 T C 2.035 176.816 174.700 0.136 0.000 1.037 369 T CA 1.227 63.388 62.100 0.103 0.000 1.144 369 T CB -0.533 68.379 68.868 0.073 0.000 0.864 369 T HN 0.170 nan 8.240 nan 0.000 0.444 370 L N 0.919 122.198 121.223 0.092 0.000 2.005 370 L HA -0.083 4.257 4.340 0.000 0.000 0.207 370 L C 3.053 179.951 176.870 0.046 0.000 1.072 370 L CA 1.267 56.147 54.840 0.068 0.000 0.744 370 L CB -0.893 41.200 42.059 0.057 0.000 0.895 370 L HN 0.267 nan 8.230 nan 0.000 0.433 371 S N 0.010 115.742 115.700 0.052 0.000 2.365 371 S HA -0.273 4.197 4.470 0.000 0.000 0.225 371 S C 2.005 176.611 174.600 0.010 0.000 1.039 371 S CA 1.758 59.974 58.200 0.025 0.000 1.033 371 S CB -0.457 62.765 63.200 0.036 0.000 0.887 371 S HN 0.433 nan 8.310 nan 0.000 0.447 372 F N 1.825 121.762 119.950 -0.021 0.000 2.154 372 F HA -0.081 4.446 4.527 0.000 0.000 0.301 372 F C 1.704 177.489 175.800 -0.025 0.000 1.087 372 F CA 1.492 59.472 58.000 -0.032 0.000 1.274 372 F CB -0.469 38.510 39.000 -0.035 0.000 1.009 372 F HN 0.222 nan 8.300 nan 0.000 0.485 373 L N -0.723 120.289 121.223 -0.353 0.000 2.023 373 L HA -0.151 4.189 4.340 0.000 0.000 0.205 373 L C 2.451 179.136 176.870 -0.310 0.000 1.073 373 L CA 1.031 55.609 54.840 -0.435 0.000 0.745 373 L CB -0.907 41.085 42.059 -0.112 0.000 0.900 373 L HN 0.275 nan 8.230 nan 0.000 0.435 374 L N -0.245 120.877 121.223 -0.168 0.000 1.955 374 L HA -0.196 4.144 4.340 0.000 0.000 0.213 374 L C 2.391 179.160 176.870 -0.168 0.000 1.072 374 L CA 1.785 56.550 54.840 -0.125 0.000 0.755 374 L CB -0.456 41.553 42.059 -0.083 0.000 0.888 374 L HN -0.068 nan 8.230 nan 0.000 0.432 375 V N 0.344 120.156 119.914 -0.170 0.000 2.568 375 V HA -0.237 3.883 4.120 0.000 0.000 0.253 375 V C 2.570 178.576 176.094 -0.147 0.000 1.072 375 V CA 1.604 63.817 62.300 -0.145 0.000 1.084 375 V CB -1.726 30.038 31.823 -0.098 0.000 0.676 375 V HN 0.694 nan 8.190 nan 0.000 0.469 376 G N -0.176 108.444 108.800 -0.301 0.000 2.432 376 G HA2 -0.212 3.748 3.960 0.000 0.000 0.219 376 G HA3 -0.212 3.748 3.960 0.000 0.000 0.219 376 G C 1.653 176.506 174.900 -0.078 0.000 1.135 376 G CA 0.703 45.598 45.100 -0.341 0.000 0.767 376 G HN 0.524 nan 8.290 nan 0.000 0.550 377 K N -0.249 120.129 120.400 -0.037 0.000 2.348 377 K HA 0.182 4.502 4.320 0.000 0.000 0.194 377 K C 2.145 178.835 176.600 0.149 0.000 1.052 377 K CA 0.012 56.379 56.287 0.135 0.000 1.004 377 K CB 0.508 33.080 32.500 0.120 0.000 0.873 377 K HN 0.156 nan 8.250 nan 0.000 0.523 378 V N 1.438 121.363 119.914 0.017 0.000 3.140 378 V HA -0.233 3.887 4.120 0.000 0.000 0.269 378 V C 1.647 177.813 176.094 0.119 0.000 1.149 378 V CA 1.508 63.765 62.300 -0.071 0.000 1.162 378 V CB -0.893 30.718 31.823 -0.353 0.000 0.756 378 V HN 0.328 nan 8.190 nan 0.000 0.523 379 Y N -1.516 118.813 120.300 0.049 0.000 2.439 379 Y HA 0.035 4.585 4.550 0.000 0.000 0.281 379 Y C 2.015 178.031 175.900 0.194 0.000 1.145 379 Y CA 0.468 58.626 58.100 0.097 0.000 1.252 379 Y CB -0.285 38.215 38.460 0.067 0.000 1.271 379 Y HN 0.193 nan 8.280 nan 0.000 0.516 380 W N 2.695 124.062 121.300 0.110 0.000 2.424 380 W HA -0.131 4.529 4.660 0.000 0.000 0.264 380 W C 1.734 178.195 176.519 -0.097 0.000 1.229 380 W CA 1.545 58.864 57.345 -0.043 0.000 1.208 380 W CB -0.488 29.037 29.460 0.109 0.000 1.127 380 W HN 0.270 nan 8.180 nan 0.000 0.588 381 D N -1.130 119.328 120.400 0.096 0.000 2.097 381 D HA -0.063 4.577 4.640 0.000 0.000 0.195 381 D C 1.984 178.173 176.300 -0.184 0.000 0.989 381 D CA 2.370 56.372 54.000 0.004 0.000 0.827 381 D CB -0.209 40.691 40.800 0.166 0.000 0.966 381 D HN 0.185 nan 8.370 nan 0.000 0.456 382 G N -1.313 107.332 108.800 -0.258 0.000 2.407 382 G HA2 -0.106 3.854 3.960 0.000 0.000 0.210 382 G HA3 -0.106 3.854 3.960 0.000 0.000 0.210 382 G C -0.165 174.454 174.900 -0.467 0.000 1.015 382 G CA -0.440 44.428 45.100 -0.387 0.000 0.807 382 G HN 0.289 nan 8.290 nan 0.000 0.539 383 H N 0.635 119.713 119.070 0.015 0.000 2.535 383 H HA 0.249 4.805 4.556 0.000 0.000 0.232 383 H C -1.758 173.593 175.328 0.039 0.000 1.405 383 H CA -0.863 55.207 56.048 0.037 0.000 1.224 383 H CB 1.405 31.207 29.762 0.068 0.000 1.763 383 H HN 0.231 nan 8.280 nan 0.000 0.529 384 P HA -0.147 nan 4.420 nan 0.000 0.221 384 P C 0.681 178.065 177.300 0.139 0.000 1.145 384 P CA 0.361 63.552 63.100 0.153 0.000 0.795 384 P CB 0.481 32.252 31.700 0.118 0.000 0.775 385 L N -0.689 120.603 121.223 0.115 0.000 2.428 385 L HA -0.071 4.269 4.340 0.000 0.000 0.266 385 L C 1.248 178.156 176.870 0.063 0.000 1.269 385 L CA -0.093 54.797 54.840 0.082 0.000 0.821 385 L CB -1.695 40.410 42.059 0.076 0.000 1.095 385 L HN -0.214 nan 8.230 nan 0.000 0.559 386 L N 0.826 122.069 121.223 0.033 0.000 4.812 386 L HA -0.230 4.110 4.340 0.000 0.000 0.466 386 L C 0.979 177.846 176.870 -0.005 0.000 1.205 386 L CA 0.489 55.331 54.840 0.004 0.000 0.681 386 L CB -0.768 41.279 42.059 -0.019 0.000 1.179 386 L HN 0.404 nan 8.230 nan 0.000 0.647 387 L N 4.622 125.850 121.223 0.007 0.000 2.592 387 L HA 0.145 4.485 4.340 0.000 0.000 0.227 387 L C -0.581 176.268 176.870 -0.035 0.000 1.127 387 L CA 0.565 55.401 54.840 -0.006 0.000 0.884 387 L CB -0.400 41.680 42.059 0.035 0.000 1.065 387 L HN 0.351 nan 8.230 nan 0.000 0.457 388 P HA -0.053 nan 4.420 nan 0.000 0.222 388 P C 1.722 178.984 177.300 -0.063 0.000 1.157 388 P CA 1.339 64.413 63.100 -0.042 0.000 0.816 388 P CB 0.069 31.749 31.700 -0.035 0.000 0.813 389 V N -0.881 118.976 119.914 -0.095 0.000 2.317 389 V HA -0.248 3.872 4.120 0.000 0.000 0.251 389 V C 2.407 178.420 176.094 -0.136 0.000 1.065 389 V CA 2.248 64.447 62.300 -0.168 0.000 1.049 389 V CB -2.238 29.432 31.823 -0.255 0.000 0.651 389 V HN -0.078 nan 8.190 nan 0.000 0.450 390 V N 1.905 121.768 119.914 -0.084 0.000 2.221 390 V HA -0.027 4.093 4.120 0.000 0.000 0.242 390 V C 2.973 179.063 176.094 -0.007 0.000 1.041 390 V CA 2.379 64.663 62.300 -0.027 0.000 0.995 390 V CB -1.873 29.859 31.823 -0.150 0.000 0.635 390 V HN 0.595 nan 8.190 nan 0.000 0.448 391 G N -0.027 108.752 108.800 -0.035 0.000 2.480 391 G HA2 -0.220 3.741 3.960 0.000 0.000 0.216 391 G HA3 -0.220 3.741 3.960 0.000 0.000 0.216 391 G C 1.704 176.602 174.900 -0.003 0.000 1.200 391 G CA 1.294 46.383 45.100 -0.019 0.000 0.782 391 G HN 0.319 nan 8.290 nan 0.000 0.554 392 V N 1.877 121.782 119.914 -0.014 0.000 2.380 392 V HA -0.242 3.878 4.120 0.000 0.000 0.251 392 V C 3.258 179.359 176.094 0.012 0.000 1.063 392 V CA 2.522 64.814 62.300 -0.014 0.000 1.055 392 V CB -0.536 31.270 31.823 -0.028 0.000 0.657 392 V HN 0.643 nan 8.190 nan 0.000 0.455 393 S N -0.022 115.703 115.700 0.041 0.000 2.327 393 S HA -0.119 4.351 4.470 0.000 0.000 0.213 393 S C 1.999 176.671 174.600 0.120 0.000 1.032 393 S CA 1.214 59.479 58.200 0.107 0.000 0.960 393 S CB -0.754 62.566 63.200 0.199 0.000 0.900 393 S HN 0.463 nan 8.310 nan 0.000 0.469 394 L N 1.655 122.945 121.223 0.112 0.000 2.010 394 L HA -0.181 4.160 4.340 0.000 0.000 0.219 394 L C 2.445 179.367 176.870 0.087 0.000 1.077 394 L CA 2.188 57.081 54.840 0.088 0.000 0.773 394 L CB -0.579 41.511 42.059 0.053 0.000 0.892 394 L HN 0.295 nan 8.230 nan 0.000 0.436 395 V N -0.171 119.782 119.914 0.065 0.000 2.323 395 V HA -0.305 3.816 4.120 0.000 0.000 0.244 395 V C 2.387 178.525 176.094 0.072 0.000 1.041 395 V CA 1.822 64.160 62.300 0.063 0.000 1.025 395 V CB -0.529 31.309 31.823 0.024 0.000 0.656 395 V HN 0.513 nan 8.190 nan 0.000 0.451 396 L N -0.769 120.477 121.223 0.038 0.000 2.351 396 L HA -0.197 4.143 4.340 0.000 0.000 0.220 396 L C 2.012 178.959 176.870 0.128 0.000 1.127 396 L CA 1.523 56.368 54.840 0.008 0.000 0.786 396 L CB -0.080 41.977 42.059 -0.003 0.000 0.914 396 L HN 0.325 nan 8.230 nan 0.000 0.443 397 I N -2.325 118.353 120.570 0.180 0.000 2.522 397 I HA -0.164 4.006 4.170 0.000 0.000 0.240 397 I C 2.329 178.588 176.117 0.236 0.000 1.078 397 I CA 0.404 61.848 61.300 0.240 0.000 1.422 397 I CB -0.272 37.831 38.000 0.172 0.000 1.188 397 I HN -0.145 nan 8.210 nan 0.000 0.442 398 V N 1.476 121.494 119.914 0.174 0.000 2.311 398 V HA -0.375 3.745 4.120 0.000 0.000 0.256 398 V C 2.291 178.498 176.094 0.189 0.000 1.077 398 V CA 2.490 64.879 62.300 0.149 0.000 1.067 398 V CB -0.796 31.102 31.823 0.125 0.000 0.659 398 V HN 0.389 nan 8.190 nan 0.000 0.451 399 F N -0.249 119.753 119.950 0.086 0.000 2.039 399 F HA -0.159 4.368 4.527 0.000 0.000 0.294 399 F C 2.176 178.097 175.800 0.203 0.000 1.130 399 F CA 1.766 59.821 58.000 0.091 0.000 1.189 399 F CB -0.585 38.420 39.000 0.008 0.000 0.983 399 F HN 0.091 nan 8.300 nan 0.000 0.471 400 F N 0.013 120.106 119.950 0.238 0.000 2.236 400 F HA -0.302 4.225 4.527 0.000 0.000 0.302 400 F C 2.306 178.098 175.800 -0.014 0.000 1.073 400 F CA 0.433 58.496 58.000 0.106 0.000 1.336 400 F CB -0.277 38.822 39.000 0.165 0.000 1.040 400 F HN 0.211 nan 8.300 nan 0.000 0.507 401 A N 0.359 123.285 122.820 0.177 0.000 1.835 401 A HA -0.229 4.091 4.320 0.000 0.000 0.213 401 A C 1.727 179.313 177.584 0.004 0.000 1.210 401 A CA 1.506 53.580 52.037 0.062 0.000 0.605 401 A CB -1.103 17.937 19.000 0.066 0.000 0.860 401 A HN 0.417 nan 8.150 nan 0.000 0.447 402 N N -0.174 118.520 118.700 -0.010 0.000 2.184 402 N HA -0.151 4.589 4.740 0.000 0.000 0.190 402 N C 1.263 176.724 175.510 -0.082 0.000 1.011 402 N CA 1.447 54.472 53.050 -0.041 0.000 0.867 402 N CB -0.214 38.245 38.487 -0.047 0.000 0.993 402 N HN 0.293 nan 8.380 nan 0.000 0.433 403 L N -0.151 120.986 121.223 -0.143 0.000 2.554 403 L HA 0.089 4.429 4.340 0.000 0.000 0.226 403 L C 1.604 178.410 176.870 -0.106 0.000 1.137 403 L CA 0.438 55.193 54.840 -0.142 0.000 0.863 403 L CB -0.539 41.405 42.059 -0.192 0.000 0.985 403 L HN 0.188 nan 8.230 nan 0.000 0.451 404 V N -0.334 119.536 119.914 -0.073 0.000 2.326 404 V HA 0.020 4.140 4.120 0.000 0.000 0.238 404 V C 2.540 178.609 176.094 -0.042 0.000 1.038 404 V CA 1.530 63.784 62.300 -0.077 0.000 1.032 404 V CB -0.929 30.850 31.823 -0.073 0.000 0.675 404 V HN 0.442 nan 8.190 nan 0.000 0.467 405 G N -0.343 108.445 108.800 -0.020 0.000 2.479 405 G HA2 -0.169 3.791 3.960 0.000 0.000 0.220 405 G HA3 -0.169 3.791 3.960 0.000 0.000 0.220 405 G C 1.580 176.505 174.900 0.041 0.000 1.115 405 G CA 1.147 46.250 45.100 0.005 0.000 0.757 405 G HN 0.594 nan 8.290 nan 0.000 0.560 406 A N -0.142 122.699 122.820 0.035 0.000 1.935 406 A HA 0.313 4.633 4.320 0.000 0.000 0.214 406 A C 2.146 179.817 177.584 0.145 0.000 1.178 406 A CA 1.035 53.129 52.037 0.095 0.000 0.640 406 A CB -0.070 18.952 19.000 0.036 0.000 0.825 406 A HN 0.301 nan 8.150 nan 0.000 0.447 407 M N -0.756 118.847 119.600 0.004 0.000 2.371 407 M HA 0.215 4.695 4.480 0.000 0.000 0.246 407 M C 1.438 177.781 176.300 0.072 0.000 1.103 407 M CA 0.310 55.575 55.300 -0.057 0.000 1.010 407 M CB 0.066 32.507 32.600 -0.266 0.000 1.457 407 M HN 0.401 nan 8.290 nan 0.000 0.486 408 L N 1.406 122.683 121.223 0.090 0.000 2.084 408 L HA 0.093 4.433 4.340 0.000 0.000 0.202 408 L C -0.848 176.077 176.870 0.093 0.000 1.074 408 L CA 1.885 56.759 54.840 0.056 0.000 0.757 408 L CB -1.662 40.405 42.059 0.012 0.000 0.918 408 L HN 0.023 nan 8.230 nan 0.000 0.444 409 P HA -0.208 nan 4.420 nan 0.000 0.216 409 P C 1.516 178.799 177.300 -0.028 0.000 1.157 409 P CA 1.793 64.886 63.100 -0.012 0.000 0.880 409 P CB -0.144 31.500 31.700 -0.094 0.000 0.791 410 F N -1.174 118.757 119.950 -0.032 0.000 2.095 410 F HA -0.154 4.373 4.527 0.000 0.000 0.298 410 F C 2.277 178.026 175.800 -0.085 0.000 1.104 410 F CA 0.943 58.920 58.000 -0.039 0.000 1.232 410 F CB -1.778 37.215 39.000 -0.012 0.000 0.987 410 F HN -0.151 nan 8.300 nan 0.000 0.475 411 L N 0.436 121.732 121.223 0.123 0.000 2.034 411 L HA -0.263 4.077 4.340 0.000 0.000 0.217 411 L C 2.057 178.916 176.870 -0.018 0.000 1.077 411 L CA 1.839 56.677 54.840 -0.004 0.000 0.769 411 L CB -1.085 40.961 42.059 -0.022 0.000 0.890 411 L HN 0.199 nan 8.230 nan 0.000 0.435 412 L N -1.063 120.154 121.223 -0.010 0.000 2.027 412 L HA -0.199 4.141 4.340 0.000 0.000 0.206 412 L C 2.816 179.668 176.870 -0.031 0.000 1.074 412 L CA 1.590 56.417 54.840 -0.022 0.000 0.745 412 L CB -0.497 41.548 42.059 -0.024 0.000 0.898 412 L HN 0.305 nan 8.230 nan 0.000 0.433 413 R N 0.149 120.625 120.500 -0.039 0.000 2.127 413 R HA -0.164 4.176 4.340 0.000 0.000 0.238 413 R C 2.370 178.651 176.300 -0.032 0.000 1.134 413 R CA 1.257 57.330 56.100 -0.044 0.000 0.975 413 R CB -0.042 30.216 30.300 -0.070 0.000 0.865 413 R HN 0.245 nan 8.270 nan 0.000 0.447 414 R N -0.362 120.118 120.500 -0.034 0.000 2.193 414 R HA -0.044 4.296 4.340 0.000 0.000 0.229 414 R C 1.338 177.610 176.300 -0.046 0.000 1.110 414 R CA 0.860 56.928 56.100 -0.052 0.000 0.988 414 R CB 0.105 30.347 30.300 -0.097 0.000 0.871 414 R HN 0.256 nan 8.270 nan 0.000 0.458 415 L N -0.780 120.420 121.223 -0.038 0.000 2.808 415 L HA 0.293 4.633 4.340 0.000 0.000 0.246 415 L C 0.276 177.132 176.870 -0.023 0.000 1.153 415 L CA -0.223 54.599 54.840 -0.031 0.000 0.956 415 L CB 1.112 43.153 42.059 -0.030 0.000 1.270 415 L HN 0.251 nan 8.230 nan 0.000 0.528 416 G N 1.474 110.259 108.800 -0.025 0.000 2.502 416 G HA2 -0.156 3.804 3.960 0.000 0.000 0.273 416 G HA3 -0.156 3.804 3.960 0.000 0.000 0.273 416 G C -0.608 174.281 174.900 -0.019 0.000 1.021 416 G CA 0.046 45.133 45.100 -0.022 0.000 1.333 416 G HN 0.106 nan 8.290 nan 0.000 0.508 417 V N 0.333 120.233 119.914 -0.023 0.000 2.789 417 V HA 0.347 4.467 4.120 0.000 0.000 0.300 417 V C -0.002 176.074 176.094 -0.031 0.000 1.184 417 V CA -1.253 61.037 62.300 -0.018 0.000 0.930 417 V CB 1.978 33.797 31.823 -0.007 0.000 1.041 417 V HN 0.562 nan 8.190 nan 0.000 0.430 418 D N 7.268 127.650 120.400 -0.030 0.000 2.536 418 D HA 0.083 4.723 4.640 0.000 0.000 0.260 418 D C -0.725 175.540 176.300 -0.059 0.000 1.270 418 D CA -0.588 53.384 54.000 -0.046 0.000 0.934 418 D CB 1.274 42.050 40.800 -0.040 0.000 1.129 418 D HN 0.390 nan 8.370 nan 0.000 0.533 419 P HA -0.279 nan 4.420 nan 0.000 0.218 419 P C 1.004 178.250 177.300 -0.090 0.000 1.146 419 P CA 1.097 64.145 63.100 -0.087 0.000 0.820 419 P CB 0.123 31.750 31.700 -0.122 0.000 0.778 420 A N -0.316 122.449 122.820 -0.091 0.000 2.084 420 A HA -0.174 4.146 4.320 0.000 0.000 0.221 420 A C 2.131 179.632 177.584 -0.138 0.000 1.161 420 A CA 1.257 53.233 52.037 -0.102 0.000 0.653 420 A CB -1.440 17.506 19.000 -0.089 0.000 0.802 420 A HN 0.098 nan 8.150 nan 0.000 0.457 421 L N -0.507 120.634 121.223 -0.137 0.000 2.187 421 L HA -0.084 4.256 4.340 0.000 0.000 0.213 421 L C 1.162 177.898 176.870 -0.222 0.000 1.100 421 L CA 0.995 55.713 54.840 -0.204 0.000 0.765 421 L CB -0.735 41.264 42.059 -0.101 0.000 0.904 421 L HN 0.170 nan 8.230 nan 0.000 0.437 422 V N 0.907 120.743 119.914 -0.130 0.000 2.180 422 V HA 0.039 4.159 4.120 0.000 0.000 0.238 422 V C 1.267 177.290 176.094 -0.119 0.000 1.337 422 V CA -0.013 62.229 62.300 -0.097 0.000 1.338 422 V CB -1.406 30.384 31.823 -0.056 0.000 1.431 422 V HN 0.456 nan 8.190 nan 0.000 0.498 423 S N 3.727 119.323 115.700 -0.174 0.000 2.629 423 S HA 0.080 4.550 4.470 0.000 0.000 0.250 423 S C 1.151 175.696 174.600 -0.092 0.000 1.318 423 S CA 0.250 58.353 58.200 -0.161 0.000 0.970 423 S CB 0.373 63.441 63.200 -0.221 0.000 0.996 423 S HN 0.610 nan 8.310 nan 0.000 0.563 424 N N 1.276 119.931 118.700 -0.075 0.000 2.368 424 N HA 0.130 4.870 4.740 0.000 0.000 0.178 424 N C -1.191 174.301 175.510 -0.030 0.000 1.021 424 N CA 0.596 53.619 53.050 -0.044 0.000 0.875 424 N CB -1.774 36.691 38.487 -0.036 0.000 1.020 424 N HN 0.418 nan 8.380 nan 0.000 0.433 425 P HA -0.046 nan 4.420 nan 0.000 0.221 425 P C 1.687 178.992 177.300 0.009 0.000 1.150 425 P CA 0.478 63.574 63.100 -0.006 0.000 0.800 425 P CB 0.078 31.777 31.700 -0.001 0.000 0.787 426 L N -1.078 120.143 121.223 -0.003 0.000 2.191 426 L HA -0.089 4.251 4.340 0.000 0.000 0.212 426 L C 1.837 178.715 176.870 0.013 0.000 1.103 426 L CA 1.828 56.684 54.840 0.027 0.000 0.769 426 L CB -1.043 41.022 42.059 0.009 0.000 0.908 426 L HN -0.165 nan 8.230 nan 0.000 0.438 427 V N -0.035 119.877 119.914 -0.004 0.000 2.283 427 V HA -0.022 4.098 4.120 0.000 0.000 0.239 427 V C 2.536 178.629 176.094 -0.001 0.000 1.035 427 V CA 1.207 63.504 62.300 -0.006 0.000 1.018 427 V CB -0.895 30.921 31.823 -0.011 0.000 0.658 427 V HN 0.505 nan 8.190 nan 0.000 0.459 428 A N -0.860 121.960 122.820 -0.000 0.000 2.309 428 A HA -0.181 4.139 4.320 0.000 0.000 0.210 428 A C 2.050 179.637 177.584 0.005 0.000 1.216 428 A CA 2.148 54.187 52.037 0.003 0.000 0.731 428 A CB -0.625 18.377 19.000 0.003 0.000 0.762 428 A HN 0.575 nan 8.150 nan 0.000 0.497 429 T N -1.455 113.103 114.554 0.008 0.000 3.205 429 T HA 0.182 4.532 4.350 0.000 0.000 0.238 429 T C 1.570 176.271 174.700 0.002 0.000 0.974 429 T CA 0.325 62.431 62.100 0.010 0.000 1.246 429 T CB -0.199 68.683 68.868 0.023 0.000 1.007 429 T HN 0.267 nan 8.240 nan 0.000 0.414 430 L N 1.707 122.931 121.223 0.001 0.000 2.456 430 L HA 0.032 4.372 4.340 0.000 0.000 0.224 430 L C 2.300 179.158 176.870 -0.020 0.000 1.148 430 L CA 0.718 55.551 54.840 -0.012 0.000 0.825 430 L CB -0.118 41.932 42.059 -0.015 0.000 0.937 430 L HN 0.267 nan 8.230 nan 0.000 0.450 431 S N -1.099 114.594 115.700 -0.011 0.000 2.593 431 S HA -0.074 4.396 4.470 0.000 0.000 0.217 431 S C 1.114 175.711 174.600 -0.005 0.000 0.966 431 S CA 0.653 58.849 58.200 -0.006 0.000 0.914 431 S CB 0.005 63.206 63.200 0.001 0.000 0.776 431 S HN 0.429 nan 8.310 nan 0.000 0.523 432 D N -0.234 120.161 120.400 -0.009 0.000 2.394 432 D HA 0.145 4.785 4.640 0.000 0.000 0.226 432 D C 1.888 178.177 176.300 -0.018 0.000 0.990 432 D CA 0.423 54.415 54.000 -0.013 0.000 0.902 432 D CB 0.089 40.883 40.800 -0.010 0.000 1.038 432 D HN 0.179 nan 8.370 nan 0.000 0.499 433 V N 1.229 121.132 119.914 -0.018 0.000 2.216 433 V HA -0.253 3.867 4.120 0.000 0.000 0.242 433 V C 2.698 178.773 176.094 -0.031 0.000 1.042 433 V CA 2.483 64.769 62.300 -0.023 0.000 0.991 433 V CB -1.243 30.567 31.823 -0.022 0.000 0.633 433 V HN 0.367 nan 8.190 nan 0.000 0.449 434 T N -0.774 113.756 114.554 -0.040 0.000 2.788 434 T HA -0.106 4.244 4.350 0.000 0.000 0.268 434 T C 1.970 176.664 174.700 -0.011 0.000 1.044 434 T CA 1.432 63.502 62.100 -0.050 0.000 1.139 434 T CB -1.098 67.704 68.868 -0.110 0.000 0.867 434 T HN 0.549 nan 8.240 nan 0.000 0.454 435 G N 0.902 109.703 108.800 0.001 0.000 2.516 435 G HA2 -0.039 3.921 3.960 0.000 0.000 0.221 435 G HA3 -0.039 3.921 3.960 0.000 0.000 0.221 435 G C 1.423 176.338 174.900 0.026 0.000 1.107 435 G CA 0.630 45.748 45.100 0.030 0.000 0.747 435 G HN 0.509 nan 8.290 nan 0.000 0.567 436 L N -0.847 120.374 121.223 -0.003 0.000 2.185 436 L HA 0.204 4.544 4.340 0.000 0.000 0.198 436 L C 2.755 179.613 176.870 -0.019 0.000 1.079 436 L CA 0.148 54.981 54.840 -0.013 0.000 0.780 436 L CB -0.461 41.571 42.059 -0.045 0.000 0.955 436 L HN 0.124 nan 8.230 nan 0.000 0.462 437 L N 0.190 121.369 121.223 -0.074 0.000 2.171 437 L HA -0.335 4.005 4.340 0.000 0.000 0.216 437 L C 2.396 179.237 176.870 -0.047 0.000 1.084 437 L CA 1.648 56.411 54.840 -0.128 0.000 0.771 437 L CB -0.570 41.447 42.059 -0.069 0.000 0.890 437 L HN 0.277 nan 8.230 nan 0.000 0.437 438 I N -2.064 118.537 120.570 0.052 0.000 2.193 438 I HA -0.307 3.863 4.170 0.000 0.000 0.240 438 I C 2.292 178.483 176.117 0.124 0.000 1.084 438 I CA 1.167 62.535 61.300 0.115 0.000 1.365 438 I CB -0.324 37.784 38.000 0.179 0.000 1.064 438 I HN 0.136 nan 8.210 nan 0.000 0.410 439 Y N 1.191 121.486 120.300 -0.010 0.000 2.716 439 Y HA -0.139 4.411 4.550 0.000 0.000 0.302 439 Y C 1.929 177.811 175.900 -0.030 0.000 1.160 439 Y CA 1.097 59.192 58.100 -0.009 0.000 1.362 439 Y CB 0.006 38.465 38.460 -0.002 0.000 0.988 439 Y HN 0.113 nan 8.280 nan 0.000 0.546 440 L N -2.451 118.783 121.223 0.019 0.000 2.276 440 L HA -0.079 4.261 4.340 0.000 0.000 0.194 440 L C 2.545 179.411 176.870 -0.007 0.000 1.099 440 L CA 0.975 55.769 54.840 -0.077 0.000 0.800 440 L CB -0.752 41.067 42.059 -0.400 0.000 0.994 440 L HN -0.041 nan 8.230 nan 0.000 0.475 441 S N -0.400 115.310 115.700 0.017 0.000 2.399 441 S HA -0.110 4.360 4.470 0.000 0.000 0.231 441 S C 1.535 176.151 174.600 0.028 0.000 1.022 441 S CA 0.757 59.001 58.200 0.073 0.000 0.983 441 S CB -0.040 63.214 63.200 0.090 0.000 0.803 441 S HN 0.174 nan 8.310 nan 0.000 0.480 442 V N 1.020 120.930 119.914 -0.006 0.000 3.623 442 V HA 0.287 4.407 4.120 0.000 0.000 0.274 442 V C 1.327 177.351 176.094 -0.116 0.000 1.244 442 V CA 0.932 63.206 62.300 -0.043 0.000 1.182 442 V CB -0.489 31.319 31.823 -0.025 0.000 0.925 442 V HN 0.552 nan 8.190 nan 0.000 0.462 443 A N -0.586 122.171 122.820 -0.105 0.000 1.999 443 A HA 0.207 4.527 4.320 0.000 0.000 0.190 443 A C 2.044 179.602 177.584 -0.044 0.000 1.737 443 A CA 0.303 52.259 52.037 -0.136 0.000 1.257 443 A CB 0.001 18.847 19.000 -0.256 0.000 1.401 443 A HN 0.295 nan 8.150 nan 0.000 0.430 444 R N 0.098 120.606 120.500 0.013 0.000 2.052 444 R HA 0.177 4.517 4.340 0.000 0.000 0.226 444 R C 0.178 176.499 176.300 0.035 0.000 1.145 444 R CA 1.017 57.151 56.100 0.057 0.000 0.952 444 R CB -0.223 30.159 30.300 0.137 0.000 0.847 444 R HN 0.395 nan 8.270 nan 0.000 0.431 445 L N 2.378 123.622 121.223 0.035 0.000 2.873 445 L HA 0.173 4.513 4.340 0.000 0.000 0.236 445 L C 0.064 176.937 176.870 0.004 0.000 1.375 445 L CA -0.099 54.755 54.840 0.023 0.000 1.239 445 L CB 0.688 42.766 42.059 0.032 0.000 1.603 445 L HN 0.326 nan 8.230 nan 0.000 0.430 446 L N 0.952 122.173 121.223 -0.005 0.000 3.616 446 L HA 0.238 4.578 4.340 0.000 0.000 0.363 446 L C -0.046 176.814 176.870 -0.017 0.000 1.344 446 L CA 0.556 55.385 54.840 -0.018 0.000 0.997 446 L CB 0.505 42.540 42.059 -0.040 0.000 1.365 446 L HN 0.377 nan 8.230 nan 0.000 0.607 447 L N -1.008 120.212 121.223 -0.005 0.000 3.888 447 L HA 0.268 4.608 4.340 0.000 0.000 0.369 447 L C 0.262 177.135 176.870 0.005 0.000 1.200 447 L CA 0.114 54.953 54.840 -0.001 0.000 1.268 447 L CB 1.268 43.327 42.059 -0.000 0.000 1.573 447 L HN 0.146 nan 8.230 nan 0.000 0.632 448 E N 0.000 120.203 120.200 0.006 0.000 2.725 448 E HA 0.000 4.350 4.350 0.000 0.000 0.291 448 E CA 0.000 56.404 56.400 0.007 0.000 0.976 448 E CB 0.000 29.705 29.700 0.009 0.000 0.812 448 E HN 0.000 nan 8.360 nan 0.000 0.440