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_A 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 0.000 176.114 176.094 0.034 0.000 1.182 7 V CA 0.000 62.321 62.300 0.035 0.000 1.235 7 V CB 0.000 31.840 31.823 0.029 0.000 1.184 8 S N 0.328 116.049 115.700 0.035 0.000 2.503 8 S HA 0.086 4.556 4.470 -0.000 0.000 0.215 8 S C 1.720 176.343 174.600 0.039 0.000 1.003 8 S CA 0.598 58.818 58.200 0.033 0.000 0.910 8 S CB 0.388 63.606 63.200 0.030 0.000 0.790 8 S HN 0.526 nan 8.310 nan 0.000 0.514 9 L N 2.766 124.016 121.223 0.046 0.000 2.151 9 L HA -0.195 4.145 4.340 -0.000 0.000 0.215 9 L C 1.721 178.627 176.870 0.059 0.000 1.084 9 L CA 1.843 56.715 54.840 0.054 0.000 0.764 9 L CB -0.744 41.354 42.059 0.066 0.000 0.891 9 L HN 0.291 nan 8.230 nan 0.000 0.435 10 Q N -0.838 118.998 119.800 0.059 0.000 2.594 10 Q HA -0.188 4.152 4.340 -0.000 0.000 0.219 10 Q C 1.272 177.307 176.000 0.057 0.000 0.980 10 Q CA 0.707 56.551 55.803 0.069 0.000 0.962 10 Q CB 0.037 28.808 28.738 0.054 0.000 0.987 10 Q HN 0.608 nan 8.270 nan 0.000 0.553 11 E N 0.590 120.817 120.200 0.045 0.000 2.280 11 E HA 0.137 4.487 4.350 -0.000 0.000 0.197 11 E C 0.473 177.090 176.600 0.028 0.000 0.913 11 E CA 0.545 56.965 56.400 0.033 0.000 0.995 11 E CB 0.099 29.816 29.700 0.028 0.000 0.991 11 E HN 0.198 nan 8.360 nan 0.000 0.484 12 A N 1.105 123.943 122.820 0.030 0.000 2.900 12 A HA 0.263 4.583 4.320 -0.000 0.000 0.246 12 A C 0.793 178.393 177.584 0.026 0.000 1.725 12 A CA 0.381 52.433 52.037 0.026 0.000 1.400 12 A CB -0.862 18.155 19.000 0.028 0.000 0.973 12 A HN 0.353 nan 8.150 nan 0.000 0.635 13 L N -2.118 119.116 121.223 0.018 0.000 4.478 13 L HA 0.128 4.468 4.340 -0.000 0.000 0.444 13 L C 1.653 178.499 176.870 -0.039 0.000 1.013 13 L CA 0.476 55.316 54.840 0.001 0.000 1.688 13 L CB -0.308 41.770 42.059 0.033 0.000 1.834 13 L HN 0.491 nan 8.230 nan 0.000 0.629 14 Q N 0.656 120.446 119.800 -0.017 0.000 2.172 14 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 14 Q C 1.545 177.523 176.000 -0.038 0.000 0.964 14 Q CA 1.855 57.640 55.803 -0.030 0.000 0.855 14 Q CB 0.237 28.977 28.738 0.002 0.000 0.918 14 Q HN 0.632 nan 8.270 nan 0.000 0.444 15 E N -0.648 119.537 120.200 -0.025 0.000 2.371 15 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 15 E C 0.942 177.523 176.600 -0.031 0.000 1.012 15 E CA 0.935 57.321 56.400 -0.023 0.000 0.860 15 E CB -0.303 29.391 29.700 -0.011 0.000 0.811 15 E HN 0.391 nan 8.360 nan 0.000 0.502 16 G N 2.108 110.884 108.800 -0.040 0.000 2.295 16 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.287 16 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.287 16 G C -0.056 174.832 174.900 -0.020 0.000 1.055 16 G CA 0.818 45.894 45.100 -0.041 0.000 0.922 16 G HN 0.473 nan 8.290 nan 0.000 0.503 17 D N -1.513 118.881 120.400 -0.010 0.000 2.173 17 D HA 0.631 5.271 4.640 -0.000 0.000 0.296 17 D C 1.926 178.230 176.300 0.007 0.000 1.140 17 D CA 1.567 55.566 54.000 -0.002 0.000 0.952 17 D CB 0.595 41.395 40.800 0.000 0.000 1.021 17 D HN 0.113 nan 8.370 nan 0.000 0.344 18 T N -2.301 112.261 114.554 0.013 0.000 3.786 18 T HA 0.105 4.455 4.350 -0.000 0.000 0.312 18 T C 1.385 176.099 174.700 0.024 0.000 0.902 18 T CA -0.322 61.792 62.100 0.022 0.000 1.133 18 T CB -0.167 68.713 68.868 0.020 0.000 1.109 18 T HN -0.026 nan 8.240 nan 0.000 0.521 19 R N 1.861 122.372 120.500 0.018 0.000 2.177 19 R HA 0.076 4.416 4.340 -0.000 0.000 0.221 19 R C 2.588 178.900 176.300 0.020 0.000 1.110 19 R CA 1.650 57.761 56.100 0.017 0.000 0.875 19 R CB -0.785 29.523 30.300 0.013 0.000 0.810 19 R HN 0.335 nan 8.270 nan 0.000 0.437 20 A N 0.997 123.828 122.820 0.017 0.000 2.148 20 A HA -0.179 4.141 4.320 -0.000 0.000 0.222 20 A C 2.024 179.623 177.584 0.024 0.000 1.161 20 A CA 1.258 53.307 52.037 0.019 0.000 0.662 20 A CB -0.452 18.558 19.000 0.016 0.000 0.799 20 A HN 0.317 nan 8.150 nan 0.000 0.466 21 L N -0.533 120.706 121.223 0.027 0.000 2.102 21 L HA 0.054 4.394 4.340 -0.000 0.000 0.202 21 L C 2.345 179.237 176.870 0.037 0.000 1.076 21 L CA 2.035 56.895 54.840 0.034 0.000 0.761 21 L CB -0.585 41.496 42.059 0.036 0.000 0.921 21 L HN 0.429 nan 8.230 nan 0.000 0.444 22 R N -0.206 120.316 120.500 0.037 0.000 2.200 22 R HA -0.218 4.122 4.340 -0.000 0.000 0.234 22 R C 2.062 178.380 176.300 0.030 0.000 1.127 22 R CA 1.571 57.693 56.100 0.037 0.000 0.989 22 R CB -0.237 30.085 30.300 0.037 0.000 0.869 22 R HN 0.612 nan 8.270 nan 0.000 0.459 23 E N -0.106 120.111 120.200 0.027 0.000 2.347 23 E HA -0.090 4.260 4.350 -0.000 0.000 0.196 23 E C 1.318 177.933 176.600 0.025 0.000 1.008 23 E CA 0.792 57.207 56.400 0.024 0.000 0.852 23 E CB 0.377 30.090 29.700 0.022 0.000 0.783 23 E HN 0.247 nan 8.360 nan 0.000 0.505 24 V N 0.685 120.617 119.914 0.030 0.000 2.581 24 V HA -0.046 4.074 4.120 -0.000 0.000 0.240 24 V C 1.655 177.769 176.094 0.033 0.000 1.054 24 V CA 0.430 62.749 62.300 0.033 0.000 1.076 24 V CB -0.127 31.720 31.823 0.039 0.000 0.748 24 V HN 0.233 nan 8.190 nan 0.000 0.474 25 L N 1.661 122.905 121.223 0.035 0.000 3.168 25 L HA 0.108 4.448 4.340 -0.000 0.000 0.253 25 L C 1.295 178.173 176.870 0.014 0.000 1.384 25 L CA 0.702 55.560 54.840 0.030 0.000 1.131 25 L CB -0.552 41.531 42.059 0.040 0.000 1.552 25 L HN 0.426 nan 8.230 nan 0.000 0.431 26 E N -0.119 120.088 120.200 0.011 0.000 2.552 26 E HA -0.025 4.325 4.350 -0.000 0.000 0.189 26 E C 1.046 177.647 176.600 0.002 0.000 0.970 26 E CA 0.293 56.694 56.400 0.001 0.000 1.571 26 E CB 0.362 30.067 29.700 0.008 0.000 2.223 26 E HN 0.396 nan 8.360 nan 0.000 1.018 27 E N 0.477 120.685 120.200 0.013 0.000 2.498 27 E HA 0.264 4.614 4.350 -0.000 0.000 0.203 27 E C 0.356 176.975 176.600 0.032 0.000 1.013 27 E CA 0.076 56.488 56.400 0.021 0.000 0.927 27 E CB 1.014 30.728 29.700 0.024 0.000 1.012 27 E HN 0.374 nan 8.360 nan 0.000 0.482 28 I N -1.481 119.108 120.570 0.031 0.000 2.412 28 I HA 0.377 4.547 4.170 -0.000 0.000 0.296 28 I C 0.020 176.166 176.117 0.050 0.000 0.987 28 I CA -0.987 60.345 61.300 0.054 0.000 1.180 28 I CB 1.273 39.308 38.000 0.058 0.000 1.340 28 I HN -0.145 nan 8.210 nan 0.000 0.455 29 H N 7.247 126.327 119.070 0.018 0.000 2.732 29 H HA 0.235 4.791 4.556 -0.000 0.000 0.351 29 H C -1.953 173.381 175.328 0.009 0.000 1.090 29 H CA -1.307 54.748 56.048 0.012 0.000 1.431 29 H CB 1.848 31.620 29.762 0.016 0.000 1.447 29 H HN 0.503 nan 8.280 nan 0.000 0.582 30 P HA -0.242 nan 4.420 nan 0.000 0.218 30 P C 1.520 178.907 177.300 0.145 0.000 1.154 30 P CA 1.453 64.560 63.100 0.011 0.000 0.872 30 P CB 0.390 32.024 31.700 -0.109 0.000 0.790 31 Q N -0.595 119.405 119.800 0.333 0.000 2.050 31 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 31 Q C 1.916 177.984 176.000 0.113 0.000 0.980 31 Q CA 1.394 57.299 55.803 0.170 0.000 0.840 31 Q CB -1.243 27.550 28.738 0.091 0.000 0.898 31 Q HN 0.404 nan 8.270 nan 0.000 0.424 32 D N 0.697 121.171 120.400 0.123 0.000 2.170 32 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 32 D C 2.075 178.435 176.300 0.100 0.000 1.004 32 D CA 0.905 54.960 54.000 0.093 0.000 0.860 32 D CB -0.126 40.731 40.800 0.095 0.000 0.931 32 D HN 0.174 nan 8.370 nan 0.000 0.448 33 L N 0.325 121.614 121.223 0.110 0.000 1.976 33 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 33 L C 2.525 179.495 176.870 0.167 0.000 1.071 33 L CA 0.906 55.829 54.840 0.139 0.000 0.746 33 L CB -0.216 41.911 42.059 0.113 0.000 0.890 33 L HN -0.020 nan 8.230 nan 0.000 0.432 34 L N -0.263 121.010 121.223 0.084 0.000 2.129 34 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 34 L C 2.700 179.647 176.870 0.127 0.000 1.087 34 L CA 1.501 56.374 54.840 0.054 0.000 0.757 34 L CB -0.876 41.183 42.059 -0.000 0.000 0.896 34 L HN 0.352 nan 8.230 nan 0.000 0.434 35 A N -0.391 122.492 122.820 0.106 0.000 1.902 35 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 35 A C 1.978 179.627 177.584 0.109 0.000 1.181 35 A CA 1.371 53.462 52.037 0.091 0.000 0.623 35 A CB -0.562 18.477 19.000 0.065 0.000 0.818 35 A HN 0.414 nan 8.150 nan 0.000 0.443 36 L N -1.445 119.855 121.223 0.127 0.000 2.685 36 L HA 0.069 4.409 4.340 -0.000 0.000 0.233 36 L C 1.808 178.763 176.870 0.140 0.000 1.173 36 L CA -0.392 54.511 54.840 0.105 0.000 0.961 36 L CB -0.207 41.898 42.059 0.077 0.000 1.217 36 L HN 0.726 nan 8.230 nan 0.000 0.478 37 W N 2.521 123.811 121.300 -0.018 0.000 2.441 37 W HA -0.132 4.528 4.660 -0.000 0.000 0.302 37 W C 1.612 178.105 176.519 -0.044 0.000 1.191 37 W CA 1.583 58.907 57.345 -0.037 0.000 1.327 37 W CB 0.137 29.569 29.460 -0.046 0.000 1.128 37 W HN 0.409 nan 8.180 nan 0.000 0.522 38 D N 0.045 120.550 120.400 0.175 0.000 2.378 38 D HA -0.145 4.495 4.640 -0.000 0.000 0.227 38 D C 0.572 176.853 176.300 -0.033 0.000 1.012 38 D CA 0.699 54.731 54.000 0.053 0.000 0.905 38 D CB -0.615 40.256 40.800 0.118 0.000 0.895 38 D HN 0.343 nan 8.370 nan 0.000 0.532 39 E N 0.176 120.349 120.200 -0.045 0.000 2.496 39 E HA 0.254 4.604 4.350 -0.000 0.000 0.200 39 E C 0.273 176.785 176.600 -0.148 0.000 1.016 39 E CA -0.209 56.151 56.400 -0.067 0.000 0.962 39 E CB 0.819 30.503 29.700 -0.025 0.000 1.071 39 E HN 0.323 nan 8.360 nan 0.000 0.457 40 L N 0.195 121.273 121.223 -0.242 0.000 2.347 40 L HA 0.480 4.820 4.340 -0.000 0.000 0.268 40 L C 0.125 176.779 176.870 -0.361 0.000 1.019 40 L CA -0.962 53.658 54.840 -0.366 0.000 0.806 40 L CB 1.010 42.790 42.059 -0.466 0.000 1.339 40 L HN -0.159 nan 8.230 nan 0.000 0.463 41 K N -0.796 119.338 120.400 -0.443 0.000 2.156 41 K HA 0.343 4.663 4.320 -0.000 0.000 0.250 41 K C 0.856 177.417 176.600 -0.065 0.000 0.955 41 K CA -0.332 55.822 56.287 -0.223 0.000 0.855 41 K CB 1.736 34.121 32.500 -0.193 0.000 1.101 41 K HN 0.671 nan 8.250 nan 0.000 0.434 42 G N 1.768 110.575 108.800 0.011 0.000 2.601 42 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.214 42 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.214 42 G C 0.688 175.692 174.900 0.173 0.000 1.132 42 G CA 0.828 45.989 45.100 0.101 0.000 0.761 42 G HN 0.761 nan 8.290 nan 0.000 0.550 43 E N -0.732 119.569 120.200 0.169 0.000 2.152 43 E HA 0.033 4.383 4.350 -0.000 0.000 0.195 43 E C 2.123 178.816 176.600 0.155 0.000 0.934 43 E CA 0.052 56.530 56.400 0.129 0.000 0.869 43 E CB 0.013 29.745 29.700 0.052 0.000 0.842 43 E HN 0.450 nan 8.360 nan 0.000 0.472 44 H N 1.551 120.606 119.070 -0.025 0.000 2.289 44 H HA -0.102 4.454 4.556 -0.000 0.000 0.296 44 H C 2.164 177.474 175.328 -0.030 0.000 1.091 44 H CA 1.740 57.770 56.048 -0.030 0.000 1.274 44 H CB -0.349 29.372 29.762 -0.069 0.000 1.364 44 H HN 0.004 nan 8.280 nan 0.000 0.490 45 R N -0.487 120.003 120.500 -0.017 0.000 2.103 45 R HA -0.221 4.119 4.340 -0.000 0.000 0.234 45 R C 2.107 178.494 176.300 0.145 0.000 1.132 45 R CA 1.731 57.679 56.100 -0.254 0.000 0.925 45 R CB -0.861 28.968 30.300 -0.785 0.000 0.842 45 R HN 0.290 nan 8.270 nan 0.000 0.430 46 Y N 0.944 121.313 120.300 0.114 0.000 2.425 46 Y HA -0.213 4.337 4.550 -0.000 0.000 0.285 46 Y C 1.706 177.699 175.900 0.155 0.000 1.170 46 Y CA 1.008 59.232 58.100 0.207 0.000 1.304 46 Y CB 0.141 38.696 38.460 0.158 0.000 0.972 46 Y HN -0.124 nan 8.280 nan 0.000 0.558 47 V N -2.557 117.547 119.914 0.316 0.000 3.379 47 V HA -0.069 4.051 4.120 -0.000 0.000 0.249 47 V C 1.863 178.070 176.094 0.188 0.000 1.184 47 V CA 0.907 63.337 62.300 0.218 0.000 1.106 47 V CB 0.394 32.279 31.823 0.105 0.000 0.826 47 V HN 0.099 nan 8.190 nan 0.000 0.465 48 V N -0.370 119.662 119.914 0.195 0.000 2.535 48 V HA 0.018 4.138 4.120 -0.000 0.000 0.246 48 V C 1.868 178.078 176.094 0.192 0.000 1.045 48 V CA 1.085 63.498 62.300 0.188 0.000 1.058 48 V CB -0.237 31.715 31.823 0.215 0.000 0.689 48 V HN 0.421 nan 8.190 nan 0.000 0.461 49 L N 1.567 122.936 121.223 0.243 0.000 2.798 49 L HA 0.000 4.340 4.340 -0.000 0.000 0.254 49 L C 1.172 178.099 176.870 0.096 0.000 1.176 49 L CA 1.128 56.069 54.840 0.169 0.000 0.991 49 L CB -0.525 41.667 42.059 0.222 0.000 1.225 49 L HN 0.622 nan 8.230 nan 0.000 0.420 50 T N -5.636 108.985 114.554 0.112 0.000 3.403 50 T HA 0.278 4.628 4.350 -0.000 0.000 0.308 50 T C 0.749 175.522 174.700 0.121 0.000 0.952 50 T CA -0.348 61.808 62.100 0.093 0.000 0.970 50 T CB 0.048 69.037 68.868 0.202 0.000 1.189 50 T HN 0.135 nan 8.240 nan 0.000 0.528 51 L N 0.177 121.455 121.223 0.092 0.000 2.688 51 L HA 0.497 4.837 4.340 -0.000 0.000 0.216 51 L C 0.583 177.485 176.870 0.053 0.000 1.036 51 L CA -0.530 54.367 54.840 0.095 0.000 0.906 51 L CB -0.008 42.113 42.059 0.103 0.000 1.501 51 L HN 0.217 nan 8.230 nan 0.000 0.489 52 L N 0.098 121.342 121.223 0.036 0.000 2.516 52 L HA 0.172 4.512 4.340 -0.000 0.000 0.288 52 L C -2.213 174.646 176.870 -0.017 0.000 1.246 52 L CA -1.571 53.274 54.840 0.008 0.000 0.844 52 L CB -1.168 40.887 42.059 -0.007 0.000 1.106 52 L HN -0.202 nan 8.230 nan 0.000 0.509 53 P HA 0.048 nan 4.420 nan 0.000 0.269 53 P C 0.114 177.378 177.300 -0.061 0.000 1.217 53 P CA -0.217 62.863 63.100 -0.034 0.000 0.783 53 P CB 0.527 32.210 31.700 -0.029 0.000 0.898 54 K N 1.522 121.882 120.400 -0.065 0.000 2.071 54 K HA -0.306 4.014 4.320 -0.000 0.000 0.217 54 K C 1.872 178.420 176.600 -0.086 0.000 1.054 54 K CA 2.301 58.538 56.287 -0.083 0.000 0.937 54 K CB -1.069 31.390 32.500 -0.069 0.000 0.719 54 K HN 0.459 nan 8.250 nan 0.000 0.454 55 A N 1.900 124.674 122.820 -0.078 0.000 1.834 55 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 55 A C 2.044 179.560 177.584 -0.115 0.000 1.203 55 A CA 2.005 53.989 52.037 -0.088 0.000 0.621 55 A CB -0.596 18.357 19.000 -0.078 0.000 0.841 55 A HN 0.264 nan 8.150 nan 0.000 0.446 56 K N -0.414 119.916 120.400 -0.118 0.000 2.052 56 K HA -0.240 4.080 4.320 -0.000 0.000 0.215 56 K C 2.299 178.812 176.600 -0.144 0.000 1.053 56 K CA 1.537 57.740 56.287 -0.141 0.000 0.934 56 K CB -0.497 31.933 32.500 -0.116 0.000 0.717 56 K HN 0.484 nan 8.250 nan 0.000 0.450 57 A N 1.448 124.197 122.820 -0.118 0.000 1.908 57 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 57 A C 2.408 179.898 177.584 -0.157 0.000 1.181 57 A CA 2.047 54.010 52.037 -0.124 0.000 0.627 57 A CB -0.755 18.186 19.000 -0.099 0.000 0.818 57 A HN 0.394 nan 8.150 nan 0.000 0.445 58 A N -0.541 122.192 122.820 -0.145 0.000 1.877 58 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 58 A C 1.989 179.455 177.584 -0.198 0.000 1.186 58 A CA 2.149 54.098 52.037 -0.146 0.000 0.620 58 A CB -0.539 18.391 19.000 -0.117 0.000 0.822 58 A HN 0.515 nan 8.150 nan 0.000 0.443 59 E N -0.026 120.036 120.200 -0.230 0.000 2.023 59 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 59 E C 1.814 178.116 176.600 -0.497 0.000 1.003 59 E CA 1.660 57.844 56.400 -0.359 0.000 0.809 59 E CB -0.538 28.983 29.700 -0.299 0.000 0.755 59 E HN 0.214 nan 8.360 nan 0.000 0.449 60 V N 0.763 120.456 119.914 -0.370 0.000 2.660 60 V HA -0.245 3.875 4.120 -0.000 0.000 0.257 60 V C 2.283 178.123 176.094 -0.424 0.000 1.088 60 V CA 1.518 63.590 62.300 -0.380 0.000 1.106 60 V CB -0.502 31.115 31.823 -0.343 0.000 0.686 60 V HN 0.239 nan 8.190 nan 0.000 0.481 61 L N 0.663 121.680 121.223 -0.344 0.000 2.102 61 L HA -0.047 4.293 4.340 -0.000 0.000 0.202 61 L C 2.667 179.431 176.870 -0.176 0.000 1.076 61 L CA 1.921 56.598 54.840 -0.271 0.000 0.761 61 L CB -0.429 41.522 42.059 -0.179 0.000 0.921 61 L HN 0.463 nan 8.230 nan 0.000 0.444 62 S N -2.048 113.552 115.700 -0.166 0.000 2.500 62 S HA -0.190 4.280 4.470 -0.000 0.000 0.239 62 S C 1.014 175.703 174.600 0.150 0.000 0.989 62 S CA 0.872 59.056 58.200 -0.028 0.000 0.951 62 S CB -1.000 62.184 63.200 -0.027 0.000 0.759 62 S HN 0.620 nan 8.310 nan 0.000 0.523 63 H N 0.354 119.359 119.070 -0.109 0.000 2.533 63 H HA 0.555 5.111 4.556 -0.000 0.000 0.281 63 H C -0.705 174.542 175.328 -0.136 0.000 1.238 63 H CA -0.583 55.405 56.048 -0.100 0.000 1.024 63 H CB 0.039 29.745 29.762 -0.094 0.000 1.604 63 H HN 0.249 nan 8.280 nan 0.000 0.531 64 L N 0.491 121.706 121.223 -0.014 0.000 2.388 64 L HA 0.241 4.581 4.340 -0.000 0.000 0.264 64 L C 0.331 177.204 176.870 0.005 0.000 0.998 64 L CA -0.965 53.839 54.840 -0.059 0.000 0.817 64 L CB 2.313 44.277 42.059 -0.158 0.000 1.338 64 L HN 0.162 nan 8.230 nan 0.000 0.414 65 S N 3.254 118.972 115.700 0.031 0.000 2.573 65 S HA 0.024 4.494 4.470 -0.000 0.000 0.297 65 S C -1.128 173.506 174.600 0.057 0.000 1.280 65 S CA -0.650 57.580 58.200 0.050 0.000 1.061 65 S CB 0.574 63.816 63.200 0.070 0.000 0.812 65 S HN 0.544 nan 8.310 nan 0.000 0.500 66 P HA -0.191 nan 4.420 nan 0.000 0.217 66 P C 0.764 178.105 177.300 0.068 0.000 1.151 66 P CA 1.657 64.791 63.100 0.056 0.000 0.849 66 P CB 0.090 31.820 31.700 0.049 0.000 0.787 67 E N -0.129 120.114 120.200 0.072 0.000 2.122 67 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 67 E C 2.085 178.756 176.600 0.118 0.000 0.977 67 E CA 0.566 57.013 56.400 0.078 0.000 0.820 67 E CB -0.228 29.512 29.700 0.067 0.000 0.770 67 E HN 0.426 nan 8.360 nan 0.000 0.462 68 E N 0.721 121.007 120.200 0.143 0.000 2.268 68 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 68 E C 1.925 178.682 176.600 0.262 0.000 0.995 68 E CA 0.565 57.105 56.400 0.233 0.000 0.836 68 E CB 0.104 29.915 29.700 0.185 0.000 0.763 68 E HN 0.302 nan 8.360 nan 0.000 0.491 69 Q N 0.460 120.350 119.800 0.150 0.000 1.946 69 Q HA -0.049 4.291 4.340 -0.000 0.000 0.199 69 Q C 2.352 178.441 176.000 0.149 0.000 0.979 69 Q CA 1.101 56.978 55.803 0.123 0.000 0.834 69 Q CB -0.230 28.548 28.738 0.068 0.000 0.899 69 Q HN 0.226 nan 8.270 nan 0.000 0.431 70 A N 0.956 123.839 122.820 0.104 0.000 2.139 70 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 70 A C 1.812 179.398 177.584 0.004 0.000 1.159 70 A CA 1.765 53.841 52.037 0.066 0.000 0.662 70 A CB -0.440 18.595 19.000 0.058 0.000 0.796 70 A HN 0.328 nan 8.150 nan 0.000 0.463 71 E N -1.023 119.210 120.200 0.055 0.000 2.107 71 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 71 E C 0.523 176.922 176.600 -0.335 0.000 0.982 71 E CA 1.124 57.465 56.400 -0.098 0.000 0.809 71 E CB -0.254 29.465 29.700 0.031 0.000 0.756 71 E HN 0.714 nan 8.360 nan 0.000 0.459 72 Y N -0.399 119.883 120.300 -0.030 0.000 2.645 72 Y HA 0.293 4.843 4.550 -0.000 0.000 0.307 72 Y C 0.652 176.517 175.900 -0.058 0.000 1.151 72 Y CA 0.028 58.091 58.100 -0.061 0.000 1.291 72 Y CB 0.342 38.814 38.460 0.020 0.000 1.135 72 Y HN 0.012 nan 8.280 nan 0.000 0.523 73 L N -0.903 120.323 121.223 0.006 0.000 2.858 73 L HA 0.208 4.548 4.340 -0.000 0.000 0.251 73 L C 1.239 178.103 176.870 -0.009 0.000 1.149 73 L CA 0.344 55.218 54.840 0.056 0.000 0.955 73 L CB 0.385 42.517 42.059 0.122 0.000 1.289 73 L HN 0.074 nan 8.230 nan 0.000 0.542 74 K N -0.884 119.394 120.400 -0.202 0.000 2.425 74 K HA 0.119 4.439 4.320 -0.000 0.000 0.201 74 K C 1.707 178.188 176.600 -0.200 0.000 1.128 74 K CA 0.791 56.880 56.287 -0.330 0.000 1.000 74 K CB 0.813 33.037 32.500 -0.460 0.000 0.961 74 K HN 0.204 nan 8.250 nan 0.000 0.555 75 T N -0.990 113.407 114.554 -0.263 0.000 3.044 75 T HA 0.169 4.519 4.350 -0.000 0.000 0.237 75 T C 0.897 175.443 174.700 -0.257 0.000 1.001 75 T CA -0.370 61.514 62.100 -0.361 0.000 1.160 75 T CB -0.130 68.242 68.868 -0.827 0.000 0.889 75 T HN -0.162 nan 8.240 nan 0.000 0.442 76 L N 4.279 125.379 121.223 -0.205 0.000 2.628 76 L HA 0.148 4.488 4.340 -0.000 0.000 0.292 76 L C -1.852 175.056 176.870 0.063 0.000 1.250 76 L CA -0.457 54.360 54.840 -0.037 0.000 0.892 76 L CB -0.532 41.530 42.059 0.005 0.000 1.138 76 L HN 0.320 nan 8.230 nan 0.000 0.502 77 P HA 0.041 nan 4.420 nan 0.000 0.263 77 P C -1.981 175.421 177.300 0.170 0.000 1.195 77 P CA -1.151 62.098 63.100 0.248 0.000 0.762 77 P CB 0.046 32.030 31.700 0.474 0.000 0.799 78 P HA -0.145 nan 4.420 nan 0.000 0.224 78 P C 1.413 178.803 177.300 0.150 0.000 1.142 78 P CA 1.322 64.501 63.100 0.130 0.000 0.778 78 P CB -0.425 31.352 31.700 0.128 0.000 0.764 79 W N 0.327 121.647 121.300 0.034 0.000 2.800 79 W HA 0.151 4.811 4.660 -0.000 0.000 0.249 79 W C 1.223 177.755 176.519 0.023 0.000 1.294 79 W CA 0.015 57.374 57.345 0.025 0.000 1.402 79 W CB -1.029 28.447 29.460 0.027 0.000 1.126 79 W HN -0.080 nan 8.180 nan 0.000 0.652 80 R N 0.315 120.452 120.500 -0.606 0.000 2.307 80 R HA 0.138 4.478 4.340 -0.000 0.000 0.200 80 R C 2.380 178.499 176.300 -0.302 0.000 0.893 80 R CA -0.138 55.547 56.100 -0.692 0.000 1.042 80 R CB 0.084 29.902 30.300 -0.803 0.000 1.059 80 R HN 0.123 nan 8.270 nan 0.000 0.530 81 L N 0.935 122.061 121.223 -0.163 0.000 1.976 81 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 81 L C 2.424 179.241 176.870 -0.088 0.000 1.071 81 L CA 1.827 56.614 54.840 -0.089 0.000 0.746 81 L CB -0.775 41.265 42.059 -0.033 0.000 0.890 81 L HN 0.242 nan 8.230 nan 0.000 0.432 82 R N 0.383 120.840 120.500 -0.072 0.000 2.377 82 R HA -0.170 4.170 4.340 -0.000 0.000 0.207 82 R C 1.734 177.991 176.300 -0.072 0.000 1.075 82 R CA 1.349 57.413 56.100 -0.060 0.000 1.035 82 R CB -0.193 30.087 30.300 -0.035 0.000 0.857 82 R HN 0.510 nan 8.270 nan 0.000 0.475 83 E N 0.871 121.004 120.200 -0.111 0.000 2.132 83 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 83 E C 1.843 178.373 176.600 -0.117 0.000 0.951 83 E CA 0.380 56.707 56.400 -0.123 0.000 0.843 83 E CB 0.089 29.671 29.700 -0.197 0.000 0.807 83 E HN 0.430 nan 8.360 nan 0.000 0.467 84 I N 1.414 121.906 120.570 -0.131 0.000 2.233 84 I HA -0.233 3.937 4.170 -0.000 0.000 0.243 84 I C 2.412 178.480 176.117 -0.081 0.000 1.093 84 I CA 0.737 61.971 61.300 -0.110 0.000 1.380 84 I CB -0.244 37.689 38.000 -0.111 0.000 1.067 84 I HN 0.150 nan 8.210 nan 0.000 0.413 85 L N 0.599 121.780 121.223 -0.071 0.000 2.351 85 L HA -0.216 4.124 4.340 -0.000 0.000 0.220 85 L C 2.515 179.354 176.870 -0.051 0.000 1.127 85 L CA 1.085 55.892 54.840 -0.055 0.000 0.786 85 L CB -0.487 41.538 42.059 -0.056 0.000 0.914 85 L HN 0.369 nan 8.230 nan 0.000 0.443 86 E N -0.161 120.006 120.200 -0.056 0.000 2.057 86 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 86 E C 1.528 178.100 176.600 -0.046 0.000 0.959 86 E CA 0.479 56.851 56.400 -0.047 0.000 0.828 86 E CB -0.138 29.534 29.700 -0.045 0.000 0.800 86 E HN 0.237 nan 8.360 nan 0.000 0.460 87 E N 1.024 121.192 120.200 -0.054 0.000 2.428 87 E HA -0.032 4.318 4.350 -0.000 0.000 0.199 87 E C -0.523 176.041 176.600 -0.059 0.000 1.172 87 E CA -0.029 56.338 56.400 -0.054 0.000 0.941 87 E CB -0.512 29.151 29.700 -0.061 0.000 1.001 87 E HN -0.100 nan 8.360 nan 0.000 0.501 88 L N 0.208 121.399 121.223 -0.053 0.000 2.325 88 L HA 0.391 4.731 4.340 -0.000 0.000 0.281 88 L C -0.280 176.570 176.870 -0.032 0.000 1.004 88 L CA -0.385 54.423 54.840 -0.052 0.000 0.823 88 L CB 1.592 43.620 42.059 -0.052 0.000 1.236 88 L HN -0.103 nan 8.230 nan 0.000 0.415 89 S N 3.414 119.098 115.700 -0.026 0.000 2.571 89 S HA -0.052 4.418 4.470 -0.000 0.000 0.298 89 S C 1.317 175.919 174.600 0.004 0.000 1.280 89 S CA 0.324 58.519 58.200 -0.007 0.000 1.052 89 S CB 0.187 63.389 63.200 0.004 0.000 0.799 89 S HN 0.803 nan 8.310 nan 0.000 0.501 90 L N 3.795 125.025 121.223 0.012 0.000 1.994 90 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 90 L C 2.437 179.330 176.870 0.039 0.000 1.071 90 L CA 2.288 57.142 54.840 0.023 0.000 0.745 90 L CB -0.583 41.492 42.059 0.027 0.000 0.892 90 L HN 0.954 nan 8.230 nan 0.000 0.431 91 D N -1.007 119.421 120.400 0.047 0.000 2.104 91 D HA -0.286 4.354 4.640 -0.000 0.000 0.194 91 D C 1.534 177.864 176.300 0.050 0.000 0.994 91 D CA 1.966 55.999 54.000 0.055 0.000 0.830 91 D CB -0.791 40.041 40.800 0.054 0.000 0.959 91 D HN 0.381 nan 8.370 nan 0.000 0.452 92 D N 0.089 120.515 120.400 0.043 0.000 2.182 92 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 92 D C 2.037 178.359 176.300 0.037 0.000 0.986 92 D CA 0.675 54.701 54.000 0.043 0.000 0.847 92 D CB -0.188 40.635 40.800 0.038 0.000 0.942 92 D HN 0.240 nan 8.370 nan 0.000 0.467 93 L N 0.507 121.749 121.223 0.031 0.000 1.993 93 L HA -0.005 4.335 4.340 -0.000 0.000 0.206 93 L C 2.104 179.007 176.870 0.054 0.000 1.074 93 L CA 1.845 56.703 54.840 0.030 0.000 0.746 93 L CB -0.989 41.080 42.059 0.016 0.000 0.896 93 L HN 0.013 nan 8.230 nan 0.000 0.435 94 A N -0.049 122.808 122.820 0.062 0.000 1.873 94 A HA -0.399 3.921 4.320 -0.000 0.000 0.219 94 A C 2.004 179.646 177.584 0.097 0.000 1.269 94 A CA 2.719 54.808 52.037 0.087 0.000 0.671 94 A CB -1.576 17.478 19.000 0.090 0.000 0.842 94 A HN 0.647 nan 8.150 nan 0.000 0.460 95 D N -0.577 119.871 120.400 0.079 0.000 2.116 95 D HA -0.043 4.597 4.640 -0.000 0.000 0.193 95 D C 2.265 178.611 176.300 0.076 0.000 0.998 95 D CA 1.884 55.927 54.000 0.072 0.000 0.836 95 D CB -0.472 40.362 40.800 0.056 0.000 0.951 95 D HN 0.495 nan 8.370 nan 0.000 0.449 96 A N 0.456 123.318 122.820 0.070 0.000 1.877 96 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 96 A C 2.265 179.908 177.584 0.098 0.000 1.186 96 A CA 1.007 53.086 52.037 0.070 0.000 0.620 96 A CB -0.964 18.065 19.000 0.048 0.000 0.822 96 A HN 0.296 nan 8.150 nan 0.000 0.443 97 L N -0.494 120.795 121.223 0.111 0.000 2.081 97 L HA -0.302 4.038 4.340 -0.000 0.000 0.212 97 L C 2.779 179.808 176.870 0.266 0.000 1.080 97 L CA 1.919 56.854 54.840 0.158 0.000 0.754 97 L CB -0.315 41.820 42.059 0.126 0.000 0.893 97 L HN 0.532 nan 8.230 nan 0.000 0.433 98 Q N -0.816 119.113 119.800 0.214 0.000 2.167 98 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 98 Q C 2.335 178.397 176.000 0.104 0.000 0.970 98 Q CA 1.251 57.146 55.803 0.155 0.000 0.855 98 Q CB -0.299 28.491 28.738 0.086 0.000 0.911 98 Q HN 0.651 nan 8.270 nan 0.000 0.438 99 A N 0.730 123.612 122.820 0.102 0.000 1.958 99 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 99 A C 2.350 179.988 177.584 0.090 0.000 1.178 99 A CA 1.759 53.844 52.037 0.081 0.000 0.642 99 A CB -0.892 18.156 19.000 0.079 0.000 0.816 99 A HN 0.233 nan 8.150 nan 0.000 0.453 100 V N -0.176 119.823 119.914 0.142 0.000 2.295 100 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 100 V C 2.597 178.779 176.094 0.147 0.000 1.049 100 V CA 2.332 64.733 62.300 0.168 0.000 1.024 100 V CB -0.852 31.145 31.823 0.291 0.000 0.648 100 V HN 0.723 nan 8.190 nan 0.000 0.447 101 R N 0.646 121.227 120.500 0.135 0.000 2.154 101 R HA -0.223 4.117 4.340 -0.000 0.000 0.248 101 R C 2.121 178.399 176.300 -0.038 0.000 1.155 101 R CA 1.752 57.831 56.100 -0.035 0.000 0.979 101 R CB -0.284 29.791 30.300 -0.374 0.000 0.869 101 R HN 0.460 nan 8.270 nan 0.000 0.452 102 K N -0.514 119.879 120.400 -0.011 0.000 2.504 102 K HA -0.096 4.224 4.320 -0.000 0.000 0.195 102 K C 1.059 177.664 176.600 0.008 0.000 1.036 102 K CA 1.208 57.491 56.287 -0.007 0.000 0.984 102 K CB 0.214 32.718 32.500 0.006 0.000 0.788 102 K HN 0.409 nan 8.250 nan 0.000 0.488 103 E N -0.555 119.657 120.200 0.021 0.000 2.406 103 E HA 0.032 4.382 4.350 -0.000 0.000 0.204 103 E C -0.146 176.470 176.600 0.027 0.000 0.820 103 E CA 0.084 56.495 56.400 0.017 0.000 1.136 103 E CB 0.807 30.512 29.700 0.007 0.000 1.129 103 E HN 0.005 nan 8.360 nan 0.000 0.530 104 D N 0.690 121.128 120.400 0.064 0.000 2.363 104 D HA 0.095 4.735 4.640 -0.000 0.000 0.258 104 D C -2.112 174.277 176.300 0.148 0.000 1.259 104 D CA -1.818 52.244 54.000 0.103 0.000 0.921 104 D CB 1.427 42.303 40.800 0.127 0.000 1.201 104 D HN -0.097 nan 8.370 nan 0.000 0.524 105 P HA -0.079 nan 4.420 nan 0.000 0.229 105 P C 0.776 178.161 177.300 0.142 0.000 1.150 105 P CA 0.495 63.637 63.100 0.070 0.000 0.765 105 P CB 0.587 32.299 31.700 0.020 0.000 0.783 106 A N -0.982 121.936 122.820 0.163 0.000 1.944 106 A HA -0.034 4.286 4.320 -0.000 0.000 0.209 106 A C 2.189 179.883 177.584 0.183 0.000 1.328 106 A CA 0.166 52.295 52.037 0.153 0.000 0.693 106 A CB -1.548 17.523 19.000 0.118 0.000 0.994 106 A HN -0.006 nan 8.150 nan 0.000 0.485 107 Y N -0.148 120.208 120.300 0.094 0.000 2.228 107 Y HA -0.314 4.236 4.550 -0.000 0.000 0.285 107 Y C 1.892 177.852 175.900 0.100 0.000 1.178 107 Y CA 1.988 60.135 58.100 0.077 0.000 1.202 107 Y CB -0.472 38.028 38.460 0.067 0.000 0.974 107 Y HN 0.388 nan 8.280 nan 0.000 0.527 108 F N 0.932 120.928 119.950 0.077 0.000 1.997 108 F HA -0.304 4.223 4.527 -0.000 0.000 0.296 108 F C 2.760 178.527 175.800 -0.055 0.000 1.160 108 F CA 2.327 60.337 58.000 0.017 0.000 1.176 108 F CB -1.195 37.833 39.000 0.046 0.000 0.964 108 F HN 0.172 nan 8.300 nan 0.000 0.484 109 Q N 0.658 120.544 119.800 0.143 0.000 2.197 109 Q HA -0.257 4.083 4.340 -0.000 0.000 0.211 109 Q C 2.069 177.988 176.000 -0.135 0.000 0.993 109 Q CA 2.261 58.066 55.803 0.005 0.000 0.883 109 Q CB -0.300 28.501 28.738 0.106 0.000 0.916 109 Q HN 0.383 nan 8.270 nan 0.000 0.418 110 R N -0.262 120.146 120.500 -0.153 0.000 2.048 110 R HA 0.011 4.351 4.340 -0.000 0.000 0.224 110 R C 2.262 178.373 176.300 -0.316 0.000 1.163 110 R CA 1.018 56.992 56.100 -0.209 0.000 0.956 110 R CB -1.248 28.935 30.300 -0.196 0.000 0.849 110 R HN 0.382 nan 8.270 nan 0.000 0.435 111 L N 2.368 123.285 121.223 -0.511 0.000 2.137 111 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 111 L C 2.082 178.756 176.870 -0.326 0.000 1.085 111 L CA 1.858 56.399 54.840 -0.499 0.000 0.760 111 L CB -0.583 41.085 42.059 -0.653 0.000 0.893 111 L HN 0.172 nan 8.230 nan 0.000 0.434 112 K N -0.184 119.990 120.400 -0.375 0.000 2.152 112 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 112 K C 1.654 178.119 176.600 -0.225 0.000 1.048 112 K CA 1.716 57.788 56.287 -0.358 0.000 0.933 112 K CB -0.029 32.166 32.500 -0.509 0.000 0.721 112 K HN 0.369 nan 8.250 nan 0.000 0.447 113 D N 0.798 121.083 120.400 -0.192 0.000 2.178 113 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 113 D C 1.754 177.991 176.300 -0.106 0.000 0.980 113 D CA 0.967 54.890 54.000 -0.128 0.000 0.842 113 D CB -0.027 40.709 40.800 -0.107 0.000 0.948 113 D HN 0.296 nan 8.370 nan 0.000 0.472 114 L N 0.436 121.589 121.223 -0.117 0.000 2.447 114 L HA -0.088 4.252 4.340 -0.000 0.000 0.225 114 L C 1.208 178.032 176.870 -0.076 0.000 1.148 114 L CA 0.213 55.002 54.840 -0.086 0.000 0.808 114 L CB -0.288 41.718 42.059 -0.088 0.000 0.928 114 L HN -0.003 nan 8.230 nan 0.000 0.448 115 L N 0.548 121.717 121.223 -0.091 0.000 2.326 115 L HA 0.128 4.468 4.340 -0.000 0.000 0.278 115 L C 0.519 177.353 176.870 -0.060 0.000 1.092 115 L CA -0.333 54.461 54.840 -0.076 0.000 0.810 115 L CB 0.913 42.917 42.059 -0.091 0.000 1.153 115 L HN -0.020 nan 8.230 nan 0.000 0.439 116 D N 5.509 125.881 120.400 -0.046 0.000 2.434 116 D HA -0.005 4.635 4.640 -0.000 0.000 0.252 116 D C -1.726 174.553 176.300 -0.036 0.000 1.185 116 D CA -1.161 52.817 54.000 -0.036 0.000 0.886 116 D CB 1.678 42.460 40.800 -0.030 0.000 1.148 116 D HN 0.278 nan 8.370 nan 0.000 0.483 117 P HA -0.164 nan 4.420 nan 0.000 0.219 117 P C 1.144 178.431 177.300 -0.023 0.000 1.144 117 P CA 0.907 63.989 63.100 -0.029 0.000 0.806 117 P CB 0.246 31.931 31.700 -0.025 0.000 0.771 118 R N -0.974 119.514 120.500 -0.021 0.000 2.115 118 R HA -0.010 4.330 4.340 -0.000 0.000 0.226 118 R C 1.894 178.184 176.300 -0.017 0.000 1.100 118 R CA 1.893 57.982 56.100 -0.017 0.000 0.980 118 R CB -1.381 28.908 30.300 -0.018 0.000 0.875 118 R HN 0.085 nan 8.270 nan 0.000 0.445 119 T N -0.009 114.532 114.554 -0.021 0.000 2.983 119 T HA 0.076 4.426 4.350 -0.000 0.000 0.250 119 T C 1.602 176.291 174.700 -0.018 0.000 1.037 119 T CA 0.476 62.565 62.100 -0.019 0.000 1.142 119 T CB -0.106 68.747 68.868 -0.024 0.000 0.876 119 T HN 0.173 nan 8.240 nan 0.000 0.455 120 R N 1.563 122.045 120.500 -0.030 0.000 2.113 120 R HA -0.131 4.209 4.340 -0.000 0.000 0.244 120 R C 2.398 178.686 176.300 -0.021 0.000 1.142 120 R CA 1.876 57.953 56.100 -0.038 0.000 0.953 120 R CB -0.635 29.632 30.300 -0.055 0.000 0.860 120 R HN 0.360 nan 8.270 nan 0.000 0.438 121 A N 0.276 123.088 122.820 -0.014 0.000 2.070 121 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 121 A C 1.890 179.478 177.584 0.008 0.000 1.159 121 A CA 1.652 53.686 52.037 -0.004 0.000 0.656 121 A CB -0.286 18.712 19.000 -0.004 0.000 0.800 121 A HN 0.439 nan 8.150 nan 0.000 0.453 122 E N -0.616 119.590 120.200 0.010 0.000 2.122 122 E HA -0.028 4.322 4.350 -0.000 0.000 0.190 122 E C 1.830 178.454 176.600 0.040 0.000 0.977 122 E CA 1.090 57.507 56.400 0.027 0.000 0.820 122 E CB -0.070 29.643 29.700 0.023 0.000 0.770 122 E HN 0.303 nan 8.360 nan 0.000 0.462 123 V N 1.251 121.183 119.914 0.029 0.000 2.809 123 V HA -0.076 4.044 4.120 -0.000 0.000 0.256 123 V C 1.399 177.525 176.094 0.053 0.000 1.080 123 V CA 1.145 63.471 62.300 0.043 0.000 1.102 123 V CB -0.346 31.489 31.823 0.019 0.000 0.705 123 V HN 0.182 nan 8.190 nan 0.000 0.475 124 E N 0.187 120.406 120.200 0.032 0.000 2.438 124 E HA 0.204 4.554 4.350 -0.000 0.000 0.192 124 E C 1.381 177.992 176.600 0.017 0.000 1.110 124 E CA 0.734 57.155 56.400 0.035 0.000 0.893 124 E CB 0.440 30.149 29.700 0.015 0.000 0.990 124 E HN 0.615 nan 8.360 nan 0.000 0.490 125 A N -0.425 122.406 122.820 0.019 0.000 2.295 125 A HA 0.177 4.497 4.320 -0.000 0.000 0.193 125 A C 1.500 179.080 177.584 -0.006 0.000 1.512 125 A CA -0.277 51.747 52.037 -0.023 0.000 1.103 125 A CB 0.320 19.326 19.000 0.009 0.000 1.331 125 A HN 0.149 nan 8.150 nan 0.000 0.501 126 L N -0.269 121.007 121.223 0.089 0.000 2.592 126 L HA 0.198 4.538 4.340 -0.000 0.000 0.227 126 L C 2.085 179.040 176.870 0.140 0.000 1.127 126 L CA 0.899 55.845 54.840 0.178 0.000 0.884 126 L CB -0.033 42.123 42.059 0.161 0.000 1.065 126 L HN 0.441 nan 8.230 nan 0.000 0.457 127 A N -0.157 122.710 122.820 0.079 0.000 2.169 127 A HA 0.074 4.394 4.320 -0.000 0.000 0.210 127 A C 2.164 179.757 177.584 0.014 0.000 1.168 127 A CA -0.010 52.071 52.037 0.074 0.000 0.813 127 A CB 0.009 19.078 19.000 0.114 0.000 0.861 127 A HN 0.244 nan 8.150 nan 0.000 0.481 128 R N -1.430 119.029 120.500 -0.068 0.000 2.276 128 R HA 0.081 4.421 4.340 -0.000 0.000 0.203 128 R C -0.595 175.615 176.300 -0.150 0.000 1.017 128 R CA 0.330 56.338 56.100 -0.153 0.000 1.010 128 R CB -0.085 30.053 30.300 -0.270 0.000 0.900 128 R HN 0.592 nan 8.270 nan 0.000 0.469 129 Y N 1.679 121.991 120.300 0.021 0.000 2.323 129 Y HA 0.098 4.648 4.550 -0.000 0.000 0.331 129 Y C 0.852 176.758 175.900 0.011 0.000 1.092 129 Y CA -1.116 56.993 58.100 0.015 0.000 1.150 129 Y CB 0.982 39.453 38.460 0.019 0.000 1.200 129 Y HN -0.102 nan 8.280 nan 0.000 0.472 130 E N 2.049 122.358 120.200 0.181 0.000 2.447 130 E HA -0.070 4.280 4.350 -0.000 0.000 0.259 130 E C 0.010 176.656 176.600 0.077 0.000 1.196 130 E CA 0.133 56.589 56.400 0.093 0.000 0.995 130 E CB 0.524 30.262 29.700 0.064 0.000 0.974 130 E HN 0.767 nan 8.360 nan 0.000 0.465 131 E N 0.274 120.502 120.200 0.046 0.000 2.479 131 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 131 E C 0.277 176.886 176.600 0.016 0.000 1.049 131 E CA 0.067 56.487 56.400 0.034 0.000 0.870 131 E CB 0.252 29.968 29.700 0.028 0.000 0.944 131 E HN 0.311 nan 8.360 nan 0.000 0.492 132 D N 1.256 121.664 120.400 0.013 0.000 2.269 132 D HA 0.019 4.659 4.640 -0.000 0.000 0.220 132 D C 0.489 176.780 176.300 -0.014 0.000 0.962 132 D CA 0.687 54.686 54.000 -0.003 0.000 0.884 132 D CB 0.287 41.086 40.800 -0.002 0.000 1.023 132 D HN 0.072 nan 8.370 nan 0.000 0.484 133 E N -0.107 120.086 120.200 -0.010 0.000 2.376 133 E HA 0.396 4.746 4.350 -0.000 0.000 0.254 133 E C 1.123 177.680 176.600 -0.071 0.000 1.213 133 E CA -0.058 56.319 56.400 -0.039 0.000 0.945 133 E CB 0.818 30.502 29.700 -0.026 0.000 1.057 133 E HN 0.002 nan 8.360 nan 0.000 0.479 134 A N 1.439 124.188 122.820 -0.119 0.000 1.881 134 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 134 A C 2.148 179.627 177.584 -0.175 0.000 1.215 134 A CA 2.575 54.524 52.037 -0.146 0.000 0.648 134 A CB -1.903 16.988 19.000 -0.183 0.000 0.832 134 A HN 0.806 nan 8.150 nan 0.000 0.455 135 G N -0.675 107.918 108.800 -0.345 0.000 2.808 135 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.225 135 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.225 135 G C 1.571 176.454 174.900 -0.028 0.000 1.210 135 G CA 1.692 46.571 45.100 -0.368 0.000 0.777 135 G HN 1.339 nan 8.290 nan 0.000 0.640 136 G N -0.321 108.503 108.800 0.040 0.000 2.780 136 G HA2 0.175 4.135 3.960 -0.000 0.000 0.205 136 G HA3 0.175 4.135 3.960 -0.000 0.000 0.205 136 G C 1.256 176.175 174.900 0.032 0.000 1.158 136 G CA 0.877 46.014 45.100 0.060 0.000 0.812 136 G HN 0.496 nan 8.290 nan 0.000 0.521 137 L N -1.271 119.956 121.223 0.007 0.000 2.953 137 L HA 0.311 4.651 4.340 -0.000 0.000 0.258 137 L C 1.211 178.087 176.870 0.010 0.000 1.100 137 L CA -0.204 54.639 54.840 0.004 0.000 0.971 137 L CB -0.078 41.972 42.059 -0.015 0.000 1.474 137 L HN 0.247 nan 8.230 nan 0.000 0.540 138 M N 0.868 120.465 119.600 -0.006 0.000 2.200 138 M HA 0.366 4.846 4.480 -0.000 0.000 0.355 138 M C 0.216 176.553 176.300 0.062 0.000 1.283 138 M CA 0.198 55.505 55.300 0.012 0.000 1.124 138 M CB 0.645 33.224 32.600 -0.034 0.000 1.625 138 M HN 0.000 nan 8.290 nan 0.000 0.463 139 T N 0.835 115.444 114.554 0.091 0.000 2.824 139 T HA 0.539 4.889 4.350 -0.000 0.000 0.280 139 T C -1.892 172.921 174.700 0.188 0.000 0.995 139 T CA -1.850 60.318 62.100 0.113 0.000 1.009 139 T CB 1.509 70.432 68.868 0.093 0.000 0.955 139 T HN 0.683 nan 8.240 nan 0.000 0.452 140 P HA 0.078 nan 4.420 nan 0.000 0.236 140 P C 0.088 177.392 177.300 0.007 0.000 1.177 140 P CA 0.360 63.576 63.100 0.194 0.000 0.773 140 P CB 0.132 31.893 31.700 0.103 0.000 0.878 141 E N 0.826 121.042 120.200 0.027 0.000 2.222 141 E HA 0.063 4.413 4.350 -0.000 0.000 0.312 141 E C -0.145 176.467 176.600 0.020 0.000 1.263 141 E CA -0.285 56.089 56.400 -0.044 0.000 1.356 141 E CB -0.707 28.991 29.700 -0.003 0.000 1.180 141 E HN 0.438 nan 8.360 nan 0.000 0.494 142 Y N -2.347 117.987 120.300 0.056 0.000 2.699 142 Y HA 0.662 5.212 4.550 -0.000 0.000 0.326 142 Y C -0.204 175.719 175.900 0.039 0.000 1.141 142 Y CA -1.745 56.391 58.100 0.060 0.000 1.246 142 Y CB 0.547 39.077 38.460 0.117 0.000 1.426 142 Y HN -0.211 nan 8.280 nan 0.000 0.559 143 V N 1.608 121.710 119.914 0.313 0.000 2.350 143 V HA 0.771 4.891 4.120 -0.000 0.000 0.285 143 V C -0.449 175.750 176.094 0.176 0.000 1.014 143 V CA -0.594 61.774 62.300 0.114 0.000 0.831 143 V CB 0.266 32.073 31.823 -0.027 0.000 1.000 143 V HN 1.002 nan 8.190 nan 0.000 0.433 144 A N 5.218 128.130 122.820 0.153 0.000 2.330 144 A HA 0.919 5.239 4.320 -0.000 0.000 0.313 144 A C -0.369 177.186 177.584 -0.049 0.000 1.124 144 A CA -0.473 51.656 52.037 0.152 0.000 0.774 144 A CB 1.755 20.986 19.000 0.385 0.000 1.198 144 A HN 1.176 nan 8.150 nan 0.000 0.465 145 V N 0.273 120.143 119.914 -0.074 0.000 3.240 145 V HA 0.934 5.054 4.120 -0.000 0.000 0.306 145 V C -0.191 175.894 176.094 -0.016 0.000 1.227 145 V CA -1.090 61.142 62.300 -0.113 0.000 1.047 145 V CB 1.399 33.114 31.823 -0.181 0.000 1.203 145 V HN 0.958 nan 8.190 nan 0.000 0.471 146 R N 0.277 120.774 120.500 -0.004 0.000 2.732 146 R HA 0.437 4.777 4.340 -0.000 0.000 0.278 146 R C 1.271 177.576 176.300 0.009 0.000 0.976 146 R CA 0.085 56.195 56.100 0.017 0.000 0.963 146 R CB 1.460 31.781 30.300 0.035 0.000 1.150 146 R HN 0.935 nan 8.270 nan 0.000 0.478 147 E N 2.071 122.278 120.200 0.010 0.000 2.204 147 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 147 E C 0.191 176.797 176.600 0.009 0.000 0.989 147 E CA 1.388 57.793 56.400 0.007 0.000 0.824 147 E CB -0.005 29.699 29.700 0.006 0.000 0.756 147 E HN 0.695 nan 8.360 nan 0.000 0.477 148 G N 1.512 110.320 108.800 0.014 0.000 3.717 148 G HA2 0.430 4.390 3.960 -0.000 0.000 0.258 148 G HA3 0.430 4.390 3.960 -0.000 0.000 0.258 148 G C -0.078 174.835 174.900 0.021 0.000 1.088 148 G CA -0.412 44.698 45.100 0.016 0.000 1.737 148 G HN 0.060 nan 8.290 nan 0.000 0.648 149 M N -0.124 119.487 119.600 0.018 0.000 2.744 149 M HA 0.508 4.988 4.480 -0.000 0.000 0.283 149 M C 0.276 176.587 176.300 0.017 0.000 1.275 149 M CA -0.842 54.473 55.300 0.025 0.000 0.796 149 M CB 2.360 34.978 32.600 0.031 0.000 1.739 149 M HN 0.169 nan 8.290 nan 0.000 0.454 150 T N -2.141 112.426 114.554 0.022 0.000 2.938 150 T HA 0.532 4.882 4.350 -0.000 0.000 0.285 150 T C 0.553 175.259 174.700 0.011 0.000 1.028 150 T CA -0.852 61.256 62.100 0.015 0.000 1.005 150 T CB 1.200 70.079 68.868 0.017 0.000 1.157 150 T HN 0.320 nan 8.240 nan 0.000 0.550 151 V N 0.799 120.715 119.914 0.004 0.000 2.346 151 V HA -0.013 4.107 4.120 -0.000 0.000 0.244 151 V C 2.782 178.881 176.094 0.008 0.000 1.037 151 V CA 2.030 64.329 62.300 -0.002 0.000 1.029 151 V CB -0.918 30.900 31.823 -0.009 0.000 0.663 151 V HN 1.075 nan 8.190 nan 0.000 0.454 152 E N 0.124 120.331 120.200 0.011 0.000 2.331 152 E HA -0.292 4.058 4.350 -0.000 0.000 0.199 152 E C 2.046 178.665 176.600 0.032 0.000 1.008 152 E CA 1.541 57.951 56.400 0.016 0.000 0.843 152 E CB 0.083 29.790 29.700 0.013 0.000 0.761 152 E HN 0.751 nan 8.360 nan 0.000 0.507 153 E N -0.688 119.537 120.200 0.042 0.000 2.127 153 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 153 E C 1.962 178.631 176.600 0.116 0.000 0.964 153 E CA 0.501 56.944 56.400 0.072 0.000 0.832 153 E CB 0.409 30.150 29.700 0.068 0.000 0.790 153 E HN 0.124 nan 8.360 nan 0.000 0.465 154 V N 1.238 121.194 119.914 0.071 0.000 2.453 154 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 154 V C 2.258 178.393 176.094 0.068 0.000 1.048 154 V CA 1.127 63.457 62.300 0.049 0.000 1.049 154 V CB -0.255 31.546 31.823 -0.037 0.000 0.672 154 V HN 0.324 nan 8.190 nan 0.000 0.457 155 L N -0.201 121.048 121.223 0.044 0.000 2.191 155 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 155 L C 2.567 179.477 176.870 0.067 0.000 1.103 155 L CA 1.530 56.392 54.840 0.037 0.000 0.769 155 L CB -0.403 41.665 42.059 0.015 0.000 0.908 155 L HN 0.267 nan 8.230 nan 0.000 0.438 156 R N -0.910 119.642 120.500 0.087 0.000 2.246 156 R HA -0.091 4.249 4.340 -0.000 0.000 0.199 156 R C 2.078 178.454 176.300 0.127 0.000 0.984 156 R CA 0.433 56.581 56.100 0.081 0.000 1.015 156 R CB -0.008 30.324 30.300 0.054 0.000 0.930 156 R HN 0.169 nan 8.270 nan 0.000 0.475 157 F N 0.509 120.457 119.950 -0.003 0.000 2.367 157 F HA 0.125 4.652 4.527 -0.000 0.000 0.298 157 F C 1.150 176.949 175.800 -0.002 0.000 1.094 157 F CA 0.906 58.905 58.000 -0.002 0.000 1.409 157 F CB 0.256 39.257 39.000 0.002 0.000 1.064 157 F HN -0.032 nan 8.300 nan 0.000 0.528 158 L N -0.526 120.890 121.223 0.322 0.000 2.477 158 L HA 0.064 4.404 4.340 -0.000 0.000 0.220 158 L C 2.192 179.133 176.870 0.118 0.000 1.106 158 L CA 0.059 55.023 54.840 0.205 0.000 0.851 158 L CB -0.532 41.590 42.059 0.104 0.000 0.994 158 L HN -0.111 nan 8.230 nan 0.000 0.462 159 R N 1.207 121.762 120.500 0.092 0.000 2.249 159 R HA -0.012 4.328 4.340 -0.000 0.000 0.230 159 R C 0.425 176.746 176.300 0.036 0.000 1.121 159 R CA 0.807 56.937 56.100 0.049 0.000 0.997 159 R CB -0.180 30.140 30.300 0.033 0.000 0.867 159 R HN 0.448 nan 8.270 nan 0.000 0.465 160 R N -1.758 118.766 120.500 0.041 0.000 2.867 160 R HA 0.485 4.825 4.340 -0.000 0.000 0.268 160 R C 0.245 176.569 176.300 0.041 0.000 1.014 160 R CA -0.191 55.916 56.100 0.012 0.000 0.946 160 R CB 1.299 31.575 30.300 -0.039 0.000 1.208 160 R HN -0.057 nan 8.270 nan 0.000 0.477 161 A N -0.177 122.655 122.820 0.020 0.000 2.899 161 A HA -0.262 4.058 4.320 -0.000 0.000 0.257 161 A C 1.227 178.848 177.584 0.062 0.000 1.335 161 A CA 1.354 53.416 52.037 0.042 0.000 0.924 161 A CB -1.998 17.048 19.000 0.076 0.000 1.105 161 A HN 0.917 nan 8.150 nan 0.000 0.765 162 A N -0.715 122.135 122.820 0.050 0.000 1.975 162 A HA 0.357 4.677 4.320 -0.000 0.000 0.215 162 A C 0.052 177.647 177.584 0.018 0.000 1.170 162 A CA 1.444 53.506 52.037 0.042 0.000 0.656 162 A CB -0.758 18.270 19.000 0.046 0.000 0.821 162 A HN 0.541 nan 8.150 nan 0.000 0.449 163 P HA 0.152 nan 4.420 nan 0.000 0.257 163 P C -0.321 176.976 177.300 -0.006 0.000 1.281 163 P CA 0.820 63.920 63.100 -0.001 0.000 0.826 163 P CB 0.310 32.009 31.700 -0.001 0.000 1.237 164 D N -0.886 119.513 120.400 -0.002 0.000 2.469 164 D HA 0.298 4.938 4.640 -0.000 0.000 0.215 164 D C -0.153 176.141 176.300 -0.009 0.000 1.154 164 D CA -0.093 53.903 54.000 -0.008 0.000 0.832 164 D CB 0.287 41.082 40.800 -0.007 0.000 1.008 164 D HN -0.047 nan 8.370 nan 0.000 0.506 165 A N 0.334 123.151 122.820 -0.005 0.000 2.343 165 A HA 0.416 4.736 4.320 -0.000 0.000 0.316 165 A C 0.899 178.474 177.584 -0.014 0.000 1.104 165 A CA -0.512 51.523 52.037 -0.004 0.000 0.768 165 A CB 1.479 20.485 19.000 0.010 0.000 1.213 165 A HN 0.028 nan 8.150 nan 0.000 0.456 166 E N 1.511 121.712 120.200 0.002 0.000 2.147 166 E HA -0.142 4.208 4.350 -0.000 0.000 0.199 166 E C 0.548 177.112 176.600 -0.059 0.000 1.005 166 E CA 2.332 58.728 56.400 -0.008 0.000 0.810 166 E CB 0.095 29.813 29.700 0.031 0.000 0.736 166 E HN 0.736 nan 8.360 nan 0.000 0.460 167 T N -1.644 112.873 114.554 -0.061 0.000 3.486 167 T HA 0.282 4.632 4.350 -0.000 0.000 0.375 167 T C -0.257 174.383 174.700 -0.100 0.000 1.459 167 T CA -0.343 61.654 62.100 -0.172 0.000 1.151 167 T CB 0.378 69.139 68.868 -0.179 0.000 1.336 167 T HN 0.273 nan 8.240 nan 0.000 0.477 168 I N 2.172 122.667 120.570 -0.124 0.000 3.889 168 I HA 0.390 4.560 4.170 -0.000 0.000 0.332 168 I C 0.677 176.856 176.117 0.104 0.000 1.493 168 I CA -0.518 60.781 61.300 -0.001 0.000 1.158 168 I CB -0.151 37.870 38.000 0.036 0.000 1.117 168 I HN 0.620 nan 8.210 nan 0.000 0.411 169 Y N 0.361 120.590 120.300 -0.117 0.000 2.475 169 Y HA 0.120 4.670 4.550 -0.000 0.000 0.289 169 Y C 0.068 175.560 175.900 -0.680 0.000 1.121 169 Y CA -0.165 57.736 58.100 -0.332 0.000 1.257 169 Y CB 0.344 38.648 38.460 -0.261 0.000 1.026 169 Y HN 0.213 nan 8.280 nan 0.000 0.555 170 Y N 0.488 120.746 120.300 -0.071 0.000 2.426 170 Y HA 0.337 4.887 4.550 -0.000 0.000 0.325 170 Y C -0.898 174.697 175.900 -0.508 0.000 0.989 170 Y CA -1.409 56.522 58.100 -0.281 0.000 1.284 170 Y CB 0.443 38.711 38.460 -0.320 0.000 1.104 170 Y HN -0.152 nan 8.280 nan 0.000 0.481 171 I N 3.678 124.062 120.570 -0.309 0.000 2.371 171 I HA 0.181 4.351 4.170 -0.000 0.000 0.290 171 I C -0.357 175.588 176.117 -0.287 0.000 1.028 171 I CA -0.567 60.561 61.300 -0.286 0.000 1.345 171 I CB -0.008 37.886 38.000 -0.176 0.000 1.407 171 I HN 0.436 nan 8.210 nan 0.000 0.501 172 Y N 4.446 124.749 120.300 0.005 0.000 2.376 172 Y HA 0.622 5.172 4.550 -0.000 0.000 0.325 172 Y C 0.117 175.997 175.900 -0.033 0.000 1.199 172 Y CA -1.146 56.941 58.100 -0.022 0.000 1.206 172 Y CB 1.454 39.875 38.460 -0.066 0.000 1.229 172 Y HN 0.181 nan 8.280 nan 0.000 0.480 173 V N 3.657 123.662 119.914 0.151 0.000 2.513 173 V HA 0.607 4.727 4.120 -0.000 0.000 0.299 173 V C -0.531 175.581 176.094 0.030 0.000 1.035 173 V CA -0.813 61.522 62.300 0.060 0.000 0.889 173 V CB 1.394 33.237 31.823 0.034 0.000 0.988 173 V HN 0.574 nan 8.190 nan 0.000 0.440 174 V N 0.551 120.479 119.914 0.023 0.000 2.971 174 V HA 0.731 4.851 4.120 -0.000 0.000 0.309 174 V C -0.637 175.464 176.094 0.011 0.000 1.130 174 V CA -1.028 61.276 62.300 0.007 0.000 0.964 174 V CB 1.833 33.668 31.823 0.020 0.000 1.029 174 V HN 0.865 nan 8.190 nan 0.000 0.427 175 D N 1.716 122.116 120.400 -0.000 0.000 2.414 175 D HA 0.165 4.805 4.640 -0.000 0.000 0.259 175 D C 1.191 177.500 176.300 0.014 0.000 1.269 175 D CA 0.197 54.200 54.000 0.005 0.000 1.028 175 D CB 0.465 41.263 40.800 -0.004 0.000 1.093 175 D HN 0.833 nan 8.370 nan 0.000 0.545 176 E N -0.520 119.690 120.200 0.015 0.000 2.118 176 E HA -0.274 4.076 4.350 -0.000 0.000 0.195 176 E C 1.311 177.923 176.600 0.020 0.000 0.992 176 E CA 0.863 57.276 56.400 0.021 0.000 0.804 176 E CB -0.274 29.437 29.700 0.018 0.000 0.741 176 E HN 0.149 nan 8.360 nan 0.000 0.458 177 K N -0.053 120.355 120.400 0.012 0.000 2.555 177 K HA 0.066 4.386 4.320 -0.000 0.000 0.193 177 K C 1.085 177.693 176.600 0.014 0.000 1.032 177 K CA 0.831 57.125 56.287 0.011 0.000 1.004 177 K CB 0.026 32.528 32.500 0.004 0.000 0.804 177 K HN 0.448 nan 8.250 nan 0.000 0.496 178 G N 0.651 109.461 108.800 0.017 0.000 2.176 178 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.253 178 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.253 178 G C -0.168 174.730 174.900 -0.003 0.000 0.979 178 G CA 0.108 45.222 45.100 0.023 0.000 0.641 178 G HN 0.319 nan 8.290 nan 0.000 0.530 179 R N -0.156 120.330 120.500 -0.023 0.000 2.539 179 R HA 0.571 4.911 4.340 -0.000 0.000 0.275 179 R C 0.793 177.044 176.300 -0.082 0.000 1.077 179 R CA -0.486 55.578 56.100 -0.060 0.000 1.097 179 R CB 1.040 31.303 30.300 -0.061 0.000 1.018 179 R HN 0.336 nan 8.270 nan 0.000 0.483 180 L N 1.884 123.022 121.223 -0.143 0.000 2.436 180 L HA 0.164 4.504 4.340 -0.000 0.000 0.265 180 L C -0.055 176.725 176.870 -0.150 0.000 1.168 180 L CA 0.264 55.006 54.840 -0.164 0.000 0.815 180 L CB 0.442 42.336 42.059 -0.275 0.000 1.109 180 L HN 0.650 nan 8.230 nan 0.000 0.462 181 K N 3.055 123.395 120.400 -0.100 0.000 3.513 181 K HA 0.379 4.699 4.320 -0.000 0.000 0.164 181 K C -0.838 175.745 176.600 -0.029 0.000 1.041 181 K CA 0.047 56.291 56.287 -0.073 0.000 0.761 181 K CB 0.859 33.328 32.500 -0.051 0.000 0.811 181 K HN 0.904 nan 8.250 nan 0.000 0.510 182 G N 0.006 108.796 108.800 -0.016 0.000 2.348 182 G HA2 0.026 3.986 3.960 -0.000 0.000 0.606 182 G HA3 0.026 3.986 3.960 -0.000 0.000 0.606 182 G C -1.645 173.326 174.900 0.119 0.000 1.466 182 G CA -0.471 44.652 45.100 0.038 0.000 0.950 182 G HN 0.049 nan 8.290 nan 0.000 0.657 183 V N 0.359 120.359 119.914 0.144 0.000 3.602 183 V HA 0.975 5.095 4.120 -0.000 0.000 0.285 183 V C -0.464 175.677 176.094 0.079 0.000 1.187 183 V CA -0.249 62.177 62.300 0.209 0.000 0.940 183 V CB 1.695 33.656 31.823 0.229 0.000 1.250 183 V HN 1.858 nan 8.190 nan 0.000 0.455 184 L N 1.605 122.840 121.223 0.020 0.000 3.188 184 L HA 0.273 4.613 4.340 -0.000 0.000 0.220 184 L C -0.283 176.526 176.870 -0.102 0.000 1.002 184 L CA 0.253 55.070 54.840 -0.038 0.000 1.228 184 L CB 0.677 42.705 42.059 -0.051 0.000 1.540 184 L HN 0.763 nan 8.230 nan 0.000 0.655 185 S N 1.448 117.087 115.700 -0.102 0.000 2.549 185 S HA 0.217 4.687 4.470 -0.000 0.000 0.286 185 S C 1.221 175.678 174.600 -0.239 0.000 1.314 185 S CA -0.416 57.645 58.200 -0.232 0.000 1.062 185 S CB 1.192 64.286 63.200 -0.177 0.000 0.865 185 S HN 0.598 nan 8.310 nan 0.000 0.498 186 L N 2.700 123.726 121.223 -0.328 0.000 2.191 186 L HA -0.010 4.330 4.340 -0.000 0.000 0.212 186 L C 2.647 179.391 176.870 -0.210 0.000 1.103 186 L CA 1.585 56.282 54.840 -0.238 0.000 0.769 186 L CB -0.710 41.200 42.059 -0.247 0.000 0.908 186 L HN 0.914 nan 8.230 nan 0.000 0.438 187 R N -0.748 119.605 120.500 -0.245 0.000 2.249 187 R HA -0.173 4.167 4.340 -0.000 0.000 0.230 187 R C 1.178 177.404 176.300 -0.123 0.000 1.121 187 R CA 1.623 57.615 56.100 -0.181 0.000 0.997 187 R CB -0.165 30.034 30.300 -0.169 0.000 0.867 187 R HN 0.493 nan 8.270 nan 0.000 0.465 188 D N -0.137 120.193 120.400 -0.117 0.000 2.323 188 D HA -0.011 4.629 4.640 -0.000 0.000 0.218 188 D C 1.809 178.066 176.300 -0.070 0.000 0.973 188 D CA 0.413 54.365 54.000 -0.079 0.000 0.890 188 D CB 0.079 40.840 40.800 -0.065 0.000 1.011 188 D HN 0.219 nan 8.370 nan 0.000 0.499 189 L N 0.959 122.133 121.223 -0.082 0.000 2.450 189 L HA -0.030 4.310 4.340 -0.000 0.000 0.224 189 L C 2.187 179.023 176.870 -0.057 0.000 1.149 189 L CA 0.451 55.252 54.840 -0.065 0.000 0.816 189 L CB -0.086 41.929 42.059 -0.072 0.000 0.932 189 L HN 0.013 nan 8.230 nan 0.000 0.449 190 I N -0.867 119.662 120.570 -0.068 0.000 2.852 190 I HA -0.131 4.039 4.170 -0.000 0.000 0.264 190 I C 2.134 178.223 176.117 -0.046 0.000 1.179 190 I CA 0.670 61.935 61.300 -0.059 0.000 1.480 190 I CB 0.205 38.160 38.000 -0.075 0.000 1.111 190 I HN 0.147 nan 8.210 nan 0.000 0.441 191 V N -1.366 118.521 119.914 -0.046 0.000 3.125 191 V HA 0.363 4.483 4.120 -0.000 0.000 0.249 191 V C 1.389 177.466 176.094 -0.028 0.000 1.113 191 V CA -0.062 62.217 62.300 -0.035 0.000 1.106 191 V CB -1.075 30.728 31.823 -0.035 0.000 0.768 191 V HN 0.140 nan 8.190 nan 0.000 0.468 192 A N 1.185 123.987 122.820 -0.029 0.000 2.492 192 A HA 0.139 4.459 4.320 -0.000 0.000 0.236 192 A C 0.254 177.828 177.584 -0.017 0.000 1.078 192 A CA 0.256 52.279 52.037 -0.022 0.000 0.773 192 A CB -0.265 18.721 19.000 -0.023 0.000 1.023 192 A HN 0.483 nan 8.150 nan 0.000 0.504 193 D N 1.730 122.122 120.400 -0.013 0.000 2.383 193 D HA 0.168 4.808 4.640 -0.000 0.000 0.252 193 D C -1.254 175.042 176.300 -0.007 0.000 1.166 193 D CA -1.191 52.803 54.000 -0.009 0.000 0.879 193 D CB 1.082 41.878 40.800 -0.007 0.000 1.164 193 D HN 0.274 nan 8.370 nan 0.000 0.462 194 P HA -0.168 nan 4.420 nan 0.000 0.225 194 P C 0.709 178.010 177.300 0.001 0.000 1.141 194 P CA 0.998 64.097 63.100 -0.002 0.000 0.774 194 P CB 0.121 31.821 31.700 -0.001 0.000 0.760 195 R N -1.110 119.390 120.500 0.000 0.000 2.365 195 R HA 0.140 4.480 4.340 -0.000 0.000 0.223 195 R C 0.692 176.993 176.300 0.002 0.000 0.899 195 R CA -0.007 56.095 56.100 0.002 0.000 1.059 195 R CB -1.038 29.263 30.300 0.002 0.000 1.086 195 R HN 0.051 nan 8.270 nan 0.000 0.522 196 T N 0.263 114.816 114.554 -0.001 0.000 2.930 196 T HA 0.199 4.549 4.350 -0.000 0.000 0.306 196 T C 0.361 175.061 174.700 0.000 0.000 1.045 196 T CA -0.760 61.339 62.100 -0.001 0.000 1.134 196 T CB 1.241 70.106 68.868 -0.005 0.000 0.961 196 T HN 0.024 nan 8.240 nan 0.000 0.545 197 R N 1.860 122.361 120.500 0.001 0.000 2.801 197 R HA 0.207 4.547 4.340 -0.000 0.000 0.273 197 R C 1.512 177.811 176.300 -0.000 0.000 1.080 197 R CA -0.444 55.657 56.100 0.003 0.000 1.197 197 R CB 0.180 30.483 30.300 0.004 0.000 1.109 197 R HN 0.605 nan 8.270 nan 0.000 0.535 198 V N 0.804 120.718 119.914 -0.000 0.000 2.535 198 V HA -0.078 4.042 4.120 -0.000 0.000 0.246 198 V C 1.778 177.871 176.094 -0.002 0.000 1.045 198 V CA 1.837 64.134 62.300 -0.005 0.000 1.058 198 V CB -0.468 31.351 31.823 -0.007 0.000 0.689 198 V HN 0.841 nan 8.190 nan 0.000 0.461 199 A N 0.790 123.611 122.820 0.002 0.000 2.250 199 A HA -0.032 4.288 4.320 -0.000 0.000 0.208 199 A C 1.634 179.220 177.584 0.003 0.000 1.254 199 A CA 1.108 53.147 52.037 0.003 0.000 0.858 199 A CB -0.577 18.425 19.000 0.004 0.000 0.820 199 A HN 0.816 nan 8.150 nan 0.000 0.484 200 E N -0.893 119.308 120.200 0.002 0.000 2.606 200 E HA 0.185 4.535 4.350 -0.000 0.000 0.224 200 E C 0.999 177.599 176.600 0.001 0.000 0.930 200 E CA 0.383 56.784 56.400 0.002 0.000 1.125 200 E CB -0.208 29.493 29.700 0.001 0.000 1.123 200 E HN 0.625 nan 8.360 nan 0.000 0.522 201 I N -2.073 118.496 120.570 -0.002 0.000 4.327 201 I HA 0.350 4.520 4.170 -0.000 0.000 0.331 201 I C 1.013 177.129 176.117 -0.002 0.000 1.348 201 I CA -0.729 60.568 61.300 -0.005 0.000 1.152 201 I CB 0.434 38.426 38.000 -0.012 0.000 1.151 201 I HN 0.051 nan 8.210 nan 0.000 0.410 202 M N 2.216 121.817 119.600 0.002 0.000 2.036 202 M HA 0.238 4.718 4.480 -0.000 0.000 0.276 202 M C -0.640 175.673 176.300 0.021 0.000 1.262 202 M CA 0.383 55.689 55.300 0.011 0.000 1.097 202 M CB 0.682 33.289 32.600 0.013 0.000 1.386 202 M HN 0.184 nan 8.290 nan 0.000 0.482 203 N N 1.266 119.986 118.700 0.034 0.000 2.491 203 N HA 0.357 5.097 4.740 -0.000 0.000 0.274 203 N C -2.387 173.146 175.510 0.038 0.000 1.023 203 N CA -1.781 51.293 53.050 0.040 0.000 0.902 203 N CB 1.821 40.342 38.487 0.057 0.000 1.267 203 N HN 0.415 nan 8.380 nan 0.000 0.503 204 P HA -0.055 nan 4.420 nan 0.000 0.223 204 P C -0.359 176.950 177.300 0.016 0.000 1.151 204 P CA 0.865 63.974 63.100 0.014 0.000 0.787 204 P CB 0.421 32.127 31.700 0.010 0.000 0.788 205 K N 1.429 121.849 120.400 0.033 0.000 2.187 205 K HA 0.263 4.583 4.320 -0.000 0.000 0.242 205 K C 0.155 176.785 176.600 0.050 0.000 1.179 205 K CA -0.425 55.886 56.287 0.039 0.000 1.097 205 K CB 0.302 32.832 32.500 0.049 0.000 1.634 205 K HN 0.029 nan 8.250 nan 0.000 0.335 206 V N -0.558 119.378 119.914 0.036 0.000 2.532 206 V HA 0.512 4.632 4.120 -0.000 0.000 0.295 206 V C 0.249 176.382 176.094 0.065 0.000 1.041 206 V CA -1.110 61.221 62.300 0.051 0.000 0.926 206 V CB 1.329 33.159 31.823 0.011 0.000 0.992 206 V HN 0.223 nan 8.190 nan 0.000 0.457 207 V N 3.372 123.298 119.914 0.020 0.000 2.539 207 V HA 0.817 4.937 4.120 -0.000 0.000 0.292 207 V C -0.350 175.769 176.094 0.042 0.000 1.045 207 V CA -0.422 61.822 62.300 -0.093 0.000 0.945 207 V CB 0.465 31.966 31.823 -0.536 0.000 0.993 207 V HN 1.261 nan 8.190 nan 0.000 0.464 208 Y N 2.024 122.179 120.300 -0.242 0.000 2.829 208 Y HA 0.889 5.439 4.550 -0.000 0.000 0.322 208 Y C -0.966 174.818 175.900 -0.194 0.000 1.357 208 Y CA -1.932 56.036 58.100 -0.220 0.000 1.081 208 Y CB 1.519 39.857 38.460 -0.203 0.000 1.339 208 Y HN 0.713 nan 8.280 nan 0.000 0.469 209 V N 1.592 121.458 119.914 -0.079 0.000 2.808 209 V HA 0.560 4.680 4.120 -0.000 0.000 0.308 209 V C -0.714 175.328 176.094 -0.087 0.000 1.099 209 V CA -0.974 61.224 62.300 -0.171 0.000 0.920 209 V CB 1.821 33.557 31.823 -0.146 0.000 1.014 209 V HN 1.033 nan 8.190 nan 0.000 0.425 210 R N 2.794 123.226 120.500 -0.113 0.000 2.679 210 R HA 0.238 4.578 4.340 -0.000 0.000 0.269 210 R C 1.543 177.782 176.300 -0.102 0.000 1.076 210 R CA 0.641 56.704 56.100 -0.061 0.000 1.160 210 R CB 1.338 31.603 30.300 -0.059 0.000 1.054 210 R HN 1.009 nan 8.270 nan 0.000 0.507 211 T N -1.234 113.252 114.554 -0.113 0.000 2.869 211 T HA -0.198 4.152 4.350 -0.000 0.000 0.270 211 T C 0.192 174.768 174.700 -0.206 0.000 1.082 211 T CA 1.503 63.450 62.100 -0.255 0.000 1.123 211 T CB -0.412 68.304 68.868 -0.253 0.000 0.856 211 T HN 0.784 nan 8.240 nan 0.000 0.499 212 D N 0.500 120.848 120.400 -0.087 0.000 2.458 212 D HA 0.451 5.090 4.640 -0.000 0.000 0.258 212 D C -1.059 175.208 176.300 -0.056 0.000 1.134 212 D CA -0.610 53.362 54.000 -0.047 0.000 0.915 212 D CB 0.959 41.764 40.800 0.008 0.000 1.028 212 D HN 0.047 nan 8.370 nan 0.000 0.508 213 T N 1.217 115.728 114.554 -0.072 0.000 3.050 213 T HA 0.133 4.483 4.350 -0.000 0.000 0.310 213 T C -0.813 173.850 174.700 -0.062 0.000 0.978 213 T CA -0.799 61.258 62.100 -0.072 0.000 1.013 213 T CB 1.332 70.143 68.868 -0.096 0.000 1.000 213 T HN 0.347 nan 8.240 nan 0.000 0.447 214 D N 2.543 122.913 120.400 -0.050 0.000 2.703 214 D HA -0.084 4.556 4.640 -0.000 0.000 0.225 214 D C 1.391 177.662 176.300 -0.048 0.000 1.119 214 D CA 0.864 54.839 54.000 -0.043 0.000 0.845 214 D CB 0.944 41.721 40.800 -0.039 0.000 1.182 214 D HN 0.574 nan 8.370 nan 0.000 0.493 215 Q N 2.925 122.701 119.800 -0.041 0.000 2.012 215 Q HA -0.271 4.069 4.340 -0.000 0.000 0.211 215 Q C 1.863 177.836 176.000 -0.045 0.000 1.009 215 Q CA 1.894 57.672 55.803 -0.042 0.000 0.866 215 Q CB -0.100 28.618 28.738 -0.034 0.000 0.945 215 Q HN 0.639 nan 8.270 nan 0.000 0.414 216 E N 0.246 120.420 120.200 -0.044 0.000 2.086 216 E HA -0.308 4.042 4.350 -0.000 0.000 0.205 216 E C 2.004 178.574 176.600 -0.050 0.000 1.027 216 E CA 1.636 58.008 56.400 -0.046 0.000 0.830 216 E CB -0.033 29.639 29.700 -0.047 0.000 0.751 216 E HN 0.220 nan 8.360 nan 0.000 0.456 217 E N -0.043 120.125 120.200 -0.054 0.000 2.023 217 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 217 E C 2.028 178.587 176.600 -0.067 0.000 1.003 217 E CA 1.496 57.859 56.400 -0.061 0.000 0.809 217 E CB -0.264 29.395 29.700 -0.067 0.000 0.755 217 E HN 0.100 nan 8.360 nan 0.000 0.449 218 V N 1.126 120.997 119.914 -0.072 0.000 2.282 218 V HA -0.351 3.769 4.120 -0.000 0.000 0.249 218 V C 2.352 178.407 176.094 -0.064 0.000 1.057 218 V CA 2.035 64.288 62.300 -0.079 0.000 1.032 218 V CB -1.254 30.525 31.823 -0.073 0.000 0.645 218 V HN 0.468 nan 8.190 nan 0.000 0.447 219 A N 0.073 122.863 122.820 -0.051 0.000 1.852 219 A HA -0.326 3.994 4.320 -0.000 0.000 0.217 219 A C 2.315 179.876 177.584 -0.037 0.000 1.215 219 A CA 2.535 54.548 52.037 -0.040 0.000 0.641 219 A CB -0.750 18.227 19.000 -0.038 0.000 0.838 219 A HN 0.501 nan 8.150 nan 0.000 0.450 220 R N -0.742 119.733 120.500 -0.041 0.000 2.159 220 R HA -0.239 4.101 4.340 -0.000 0.000 0.249 220 R C 2.151 178.435 176.300 -0.028 0.000 1.136 220 R CA 2.027 58.104 56.100 -0.039 0.000 0.951 220 R CB -0.867 29.407 30.300 -0.045 0.000 0.876 220 R HN 0.595 nan 8.270 nan 0.000 0.440 221 L N -0.119 121.088 121.223 -0.027 0.000 1.997 221 L HA -0.268 4.072 4.340 -0.000 0.000 0.216 221 L C 2.575 179.444 176.870 -0.001 0.000 1.074 221 L CA 1.541 56.387 54.840 0.010 0.000 0.763 221 L CB -0.331 41.671 42.059 -0.095 0.000 0.890 221 L HN 0.315 nan 8.230 nan 0.000 0.434 222 M N -1.105 118.476 119.600 -0.032 0.000 2.700 222 M HA -0.086 4.394 4.480 -0.000 0.000 0.249 222 M C 1.622 177.955 176.300 0.056 0.000 1.082 222 M CA 0.929 56.244 55.300 0.025 0.000 1.077 222 M CB 0.033 32.655 32.600 0.036 0.000 1.477 222 M HN 0.315 nan 8.290 nan 0.000 0.529 223 A N -0.825 122.008 122.820 0.022 0.000 2.013 223 A HA 0.044 4.364 4.320 -0.000 0.000 0.204 223 A C 1.539 179.117 177.584 -0.010 0.000 1.262 223 A CA 0.377 52.419 52.037 0.008 0.000 0.800 223 A CB 0.017 19.008 19.000 -0.015 0.000 0.909 223 A HN 0.371 nan 8.150 nan 0.000 0.472 224 D N -0.375 119.995 120.400 -0.050 0.000 2.165 224 D HA -0.059 4.581 4.640 -0.000 0.000 0.213 224 D C 0.900 177.112 176.300 -0.146 0.000 0.983 224 D CA 1.172 55.075 54.000 -0.162 0.000 0.881 224 D CB -0.693 39.911 40.800 -0.326 0.000 1.028 224 D HN 0.498 nan 8.370 nan 0.000 0.457 225 Y N 1.377 121.642 120.300 -0.059 0.000 2.715 225 Y HA -0.046 4.504 4.550 -0.000 0.000 0.332 225 Y C -0.138 175.916 175.900 0.257 0.000 1.213 225 Y CA 0.057 58.162 58.100 0.008 0.000 1.304 225 Y CB -0.783 37.484 38.460 -0.323 0.000 1.041 225 Y HN -0.087 nan 8.280 nan 0.000 0.502 226 D N -0.435 120.122 120.400 0.261 0.000 2.745 226 D HA -0.243 4.397 4.640 -0.000 0.000 0.225 226 D C -0.070 176.435 176.300 0.342 0.000 1.212 226 D CA 0.806 54.948 54.000 0.235 0.000 0.632 226 D CB -1.136 39.754 40.800 0.150 0.000 0.994 226 D HN 0.160 nan 8.370 nan 0.000 0.407 227 F N -0.667 119.296 119.950 0.022 0.000 2.192 227 F HA 0.564 5.091 4.527 -0.000 0.000 0.269 227 F C 2.172 177.913 175.800 -0.098 0.000 0.946 227 F CA -0.007 57.956 58.000 -0.062 0.000 1.139 227 F CB 0.175 39.132 39.000 -0.073 0.000 1.877 227 F HN -0.012 nan 8.300 nan 0.000 0.571 228 T N -1.795 112.749 114.554 -0.016 0.000 3.669 228 T HA 0.233 4.583 4.350 -0.000 0.000 0.294 228 T C -1.468 173.171 174.700 -0.100 0.000 0.884 228 T CA 0.137 62.196 62.100 -0.069 0.000 0.815 228 T CB -0.687 68.127 68.868 -0.091 0.000 1.215 228 T HN 0.145 nan 8.240 nan 0.000 0.815 229 V N 2.518 122.350 119.914 -0.136 0.000 2.610 229 V HA 0.487 4.607 4.120 -0.000 0.000 0.288 229 V C -0.912 175.289 176.094 0.178 0.000 1.055 229 V CA -0.816 61.467 62.300 -0.028 0.000 0.902 229 V CB 1.762 33.494 31.823 -0.152 0.000 1.030 229 V HN 0.390 nan 8.190 nan 0.000 0.448 230 L N 7.302 128.620 121.223 0.158 0.000 2.307 230 L HA 0.630 4.970 4.340 -0.000 0.000 0.284 230 L C -2.233 174.651 176.870 0.024 0.000 1.023 230 L CA -1.805 53.108 54.840 0.121 0.000 0.810 230 L CB 3.107 45.171 42.059 0.009 0.000 1.231 230 L HN 0.389 nan 8.230 nan 0.000 0.423 231 P HA 0.141 nan 4.420 nan 0.000 0.287 231 P C -0.852 176.311 177.300 -0.228 0.000 1.281 231 P CA -0.305 62.556 63.100 -0.398 0.000 0.781 231 P CB 1.746 32.871 31.700 -0.957 0.000 0.903 232 V N 5.104 124.895 119.914 -0.205 0.000 2.439 232 V HA 0.286 4.406 4.120 -0.000 0.000 0.282 232 V C 0.959 176.970 176.094 -0.138 0.000 1.039 232 V CA -0.406 61.808 62.300 -0.143 0.000 0.913 232 V CB 1.508 33.248 31.823 -0.138 0.000 0.983 232 V HN 0.486 nan 8.190 nan 0.000 0.460 233 V N 1.988 121.863 119.914 -0.065 0.000 3.103 233 V HA 0.822 4.942 4.120 -0.000 0.000 0.318 233 V C -0.600 175.486 176.094 -0.013 0.000 1.114 233 V CA -0.772 61.500 62.300 -0.047 0.000 1.020 233 V CB 2.180 33.993 31.823 -0.018 0.000 1.085 233 V HN 0.848 nan 8.190 nan 0.000 0.446 234 D N -0.196 120.209 120.400 0.007 0.000 2.449 234 D HA 0.312 4.952 4.640 -0.000 0.000 0.250 234 D C 0.715 177.042 176.300 0.044 0.000 1.050 234 D CA -0.201 53.825 54.000 0.043 0.000 1.024 234 D CB 1.609 42.452 40.800 0.071 0.000 1.218 234 D HN 0.692 nan 8.370 nan 0.000 0.566 235 E N -0.135 120.098 120.200 0.056 0.000 2.200 235 E HA -0.302 4.048 4.350 -0.000 0.000 0.211 235 E C 1.284 177.905 176.600 0.034 0.000 1.048 235 E CA 1.955 58.382 56.400 0.045 0.000 0.851 235 E CB -0.023 29.705 29.700 0.046 0.000 0.747 235 E HN 0.493 nan 8.360 nan 0.000 0.462 236 E N -1.519 118.698 120.200 0.027 0.000 2.140 236 E HA 0.056 4.406 4.350 -0.000 0.000 0.191 236 E C 1.115 177.714 176.600 -0.002 0.000 0.973 236 E CA 0.911 57.319 56.400 0.014 0.000 0.829 236 E CB 0.789 30.496 29.700 0.012 0.000 0.781 236 E HN 0.344 nan 8.360 nan 0.000 0.466 237 G N 0.244 109.036 108.800 -0.012 0.000 2.276 237 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.177 237 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.177 237 G C -0.277 174.572 174.900 -0.084 0.000 1.017 237 G CA -0.565 44.499 45.100 -0.061 0.000 0.750 237 G HN 0.016 nan 8.290 nan 0.000 0.506 238 R N -0.201 120.274 120.500 -0.042 0.000 2.490 238 R HA 0.550 4.890 4.340 -0.000 0.000 0.278 238 R C -0.069 176.195 176.300 -0.059 0.000 1.069 238 R CA -0.729 55.349 56.100 -0.036 0.000 1.080 238 R CB 1.352 31.656 30.300 0.008 0.000 1.030 238 R HN 0.179 nan 8.270 nan 0.000 0.491 239 L N 4.132 125.307 121.223 -0.080 0.000 2.342 239 L HA 0.101 4.441 4.340 -0.000 0.000 0.285 239 L C 0.016 176.841 176.870 -0.076 0.000 1.095 239 L CA 0.135 54.879 54.840 -0.160 0.000 0.843 239 L CB 1.033 42.950 42.059 -0.237 0.000 1.201 239 L HN 0.563 nan 8.230 nan 0.000 0.445 240 V N 2.763 122.648 119.914 -0.049 0.000 2.804 240 V HA 0.938 5.058 4.120 -0.000 0.000 0.360 240 V C 0.324 176.485 176.094 0.112 0.000 1.282 240 V CA 0.211 62.573 62.300 0.102 0.000 1.274 240 V CB -0.469 31.428 31.823 0.123 0.000 1.415 240 V HN 1.031 nan 8.190 nan 0.000 0.610 241 G N 1.050 109.843 108.800 -0.012 0.000 2.321 241 G HA2 0.413 4.373 3.960 -0.000 0.000 0.339 241 G HA3 0.413 4.373 3.960 -0.000 0.000 0.339 241 G C -1.358 173.493 174.900 -0.080 0.000 1.518 241 G CA -0.275 44.861 45.100 0.062 0.000 0.994 241 G HN 1.251 nan 8.290 nan 0.000 0.668 242 I N -2.206 118.396 120.570 0.053 0.000 3.042 242 I HA 0.926 5.096 4.170 -0.000 0.000 0.310 242 I C -0.698 175.454 176.117 0.058 0.000 1.117 242 I CA -1.623 59.709 61.300 0.053 0.000 1.003 242 I CB 2.399 40.503 38.000 0.174 0.000 1.228 242 I HN 0.457 nan 8.210 nan 0.000 0.443 243 V N 1.485 121.428 119.914 0.049 0.000 2.531 243 V HA 0.459 4.579 4.120 -0.000 0.000 0.301 243 V C 0.103 176.222 176.094 0.042 0.000 1.034 243 V CA -0.376 61.943 62.300 0.032 0.000 0.865 243 V CB 1.660 33.483 31.823 0.001 0.000 0.995 243 V HN 0.947 nan 8.190 nan 0.000 0.424 244 T N 2.397 116.973 114.554 0.036 0.000 2.874 244 T HA 0.335 4.685 4.350 -0.000 0.000 0.281 244 T C 1.054 175.767 174.700 0.022 0.000 0.994 244 T CA -0.307 61.811 62.100 0.031 0.000 1.015 244 T CB 2.341 71.226 68.868 0.028 0.000 1.028 244 T HN 0.341 nan 8.240 nan 0.000 0.523 245 V N 1.156 121.083 119.914 0.023 0.000 2.407 245 V HA -0.113 4.007 4.120 -0.000 0.000 0.245 245 V C 2.102 178.201 176.094 0.009 0.000 1.041 245 V CA 2.270 64.582 62.300 0.020 0.000 1.040 245 V CB -0.775 31.066 31.823 0.030 0.000 0.671 245 V HN 1.046 nan 8.190 nan 0.000 0.455 246 D N -1.464 118.941 120.400 0.009 0.000 2.309 246 D HA -0.203 4.437 4.640 -0.000 0.000 0.212 246 D C 1.669 177.958 176.300 -0.018 0.000 0.968 246 D CA 1.261 55.257 54.000 -0.006 0.000 0.882 246 D CB -0.391 40.408 40.800 -0.001 0.000 0.918 246 D HN 0.457 nan 8.370 nan 0.000 0.503 247 D N -0.258 120.139 120.400 -0.005 0.000 2.162 247 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 247 D C 1.874 178.166 176.300 -0.014 0.000 0.964 247 D CA 0.479 54.475 54.000 -0.006 0.000 0.847 247 D CB 0.376 41.181 40.800 0.010 0.000 0.988 247 D HN 0.153 nan 8.370 nan 0.000 0.480 248 V N 1.837 121.745 119.914 -0.011 0.000 3.052 248 V HA -0.040 4.080 4.120 -0.000 0.000 0.254 248 V C 2.055 178.136 176.094 -0.021 0.000 1.100 248 V CA 0.349 62.639 62.300 -0.016 0.000 1.112 248 V CB -0.072 31.743 31.823 -0.013 0.000 0.738 248 V HN 0.183 nan 8.190 nan 0.000 0.469 249 L N 0.191 121.402 121.223 -0.020 0.000 2.261 249 L HA -0.159 4.181 4.340 -0.000 0.000 0.216 249 L C 1.898 178.747 176.870 -0.035 0.000 1.114 249 L CA 2.236 57.062 54.840 -0.024 0.000 0.777 249 L CB -0.978 41.067 42.059 -0.023 0.000 0.910 249 L HN 0.436 nan 8.230 nan 0.000 0.440 250 D N -0.976 119.401 120.400 -0.039 0.000 2.201 250 D HA -0.056 4.584 4.640 -0.000 0.000 0.209 250 D C 2.249 178.524 176.300 -0.041 0.000 0.961 250 D CA 0.787 54.760 54.000 -0.046 0.000 0.861 250 D CB 0.119 40.887 40.800 -0.052 0.000 0.997 250 D HN 0.167 nan 8.370 nan 0.000 0.486 251 V N 2.033 121.926 119.914 -0.035 0.000 2.511 251 V HA -0.257 3.863 4.120 -0.000 0.000 0.257 251 V C 2.504 178.574 176.094 -0.041 0.000 1.088 251 V CA 1.208 63.488 62.300 -0.034 0.000 1.098 251 V CB -0.482 31.322 31.823 -0.031 0.000 0.674 251 V HN 0.224 nan 8.190 nan 0.000 0.470 252 L N -0.473 120.725 121.223 -0.041 0.000 1.971 252 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 252 L C 2.554 179.392 176.870 -0.053 0.000 1.083 252 L CA 2.074 56.888 54.840 -0.044 0.000 0.753 252 L CB -0.920 41.116 42.059 -0.039 0.000 0.893 252 L HN 0.285 nan 8.230 nan 0.000 0.436 253 E N 0.174 120.342 120.200 -0.053 0.000 2.253 253 E HA -0.279 4.071 4.350 -0.000 0.000 0.202 253 E C 1.916 178.471 176.600 -0.076 0.000 1.014 253 E CA 1.608 57.971 56.400 -0.062 0.000 0.823 253 E CB 0.056 29.722 29.700 -0.057 0.000 0.736 253 E HN 0.483 nan 8.360 nan 0.000 0.478 254 A N 0.808 123.588 122.820 -0.067 0.000 1.832 254 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 254 A C 2.009 179.544 177.584 -0.080 0.000 1.204 254 A CA 1.353 53.347 52.037 -0.071 0.000 0.606 254 A CB -0.479 18.491 19.000 -0.050 0.000 0.849 254 A HN 0.240 nan 8.150 nan 0.000 0.445 255 E N 0.000 120.162 120.200 -0.065 0.000 2.333 255 E HA -0.084 4.266 4.350 -0.000 0.000 0.198 255 E C 2.058 178.613 176.600 -0.074 0.000 1.007 255 E CA 0.837 57.199 56.400 -0.063 0.000 0.845 255 E CB -0.204 29.464 29.700 -0.053 0.000 0.766 255 E HN 0.581 nan 8.360 nan 0.000 0.507 256 A N 0.608 123.380 122.820 -0.080 0.000 1.903 256 A HA -0.086 4.234 4.320 -0.000 0.000 0.213 256 A C 2.338 179.855 177.584 -0.111 0.000 1.185 256 A CA 1.589 53.577 52.037 -0.083 0.000 0.628 256 A CB -0.465 18.491 19.000 -0.072 0.000 0.830 256 A HN 0.221 nan 8.150 nan 0.000 0.446 257 T N -1.049 113.415 114.554 -0.150 0.000 3.023 257 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 257 T C 1.775 176.282 174.700 -0.321 0.000 1.093 257 T CA 1.385 63.332 62.100 -0.255 0.000 1.129 257 T CB -0.272 68.409 68.868 -0.313 0.000 0.899 257 T HN 0.517 nan 8.240 nan 0.000 0.491 258 E N 0.601 120.689 120.200 -0.187 0.000 2.152 258 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 258 E C 1.261 177.822 176.600 -0.065 0.000 0.983 258 E CA 1.150 57.486 56.400 -0.108 0.000 0.818 258 E CB -0.085 29.573 29.700 -0.069 0.000 0.758 258 E HN 0.495 nan 8.360 nan 0.000 0.467 259 D N 0.496 120.848 120.400 -0.080 0.000 2.120 259 D HA -0.014 4.626 4.640 -0.000 0.000 0.202 259 D C 2.117 178.382 176.300 -0.058 0.000 0.972 259 D CA 0.695 54.653 54.000 -0.069 0.000 0.837 259 D CB -0.252 40.506 40.800 -0.070 0.000 0.989 259 D HN 0.235 nan 8.370 nan 0.000 0.469 260 I N 0.393 120.925 120.570 -0.063 0.000 2.335 260 I HA -0.283 3.887 4.170 -0.000 0.000 0.251 260 I C 2.164 178.298 176.117 0.028 0.000 1.129 260 I CA 1.169 62.447 61.300 -0.036 0.000 1.402 260 I CB -0.318 37.654 38.000 -0.046 0.000 1.069 260 I HN 0.187 nan 8.210 nan 0.000 0.424 261 H N 1.163 120.174 119.070 -0.098 0.000 2.276 261 H HA -0.087 4.469 4.556 -0.000 0.000 0.301 261 H C 1.726 176.957 175.328 -0.163 0.000 1.073 261 H CA 0.802 56.781 56.048 -0.114 0.000 1.311 261 H CB 0.099 29.805 29.762 -0.094 0.000 1.379 261 H HN 0.170 nan 8.280 nan 0.000 0.494 262 K N 0.865 121.237 120.400 -0.048 0.000 2.640 262 K HA -0.108 4.212 4.320 -0.000 0.000 0.193 262 K C -0.136 176.326 176.600 -0.230 0.000 1.036 262 K CA 0.145 56.311 56.287 -0.202 0.000 0.962 262 K CB 0.076 32.468 32.500 -0.179 0.000 0.791 262 K HN 0.059 nan 8.250 nan 0.000 0.491 263 L N 0.413 121.548 121.223 -0.147 0.000 2.923 263 L HA 0.249 4.589 4.340 -0.000 0.000 0.231 263 L C 0.332 177.124 176.870 -0.129 0.000 1.300 263 L CA -0.018 54.746 54.840 -0.127 0.000 1.184 263 L CB 0.784 42.797 42.059 -0.077 0.000 1.511 263 L HN 0.189 nan 8.230 nan 0.000 0.448 264 G N -1.435 107.244 108.800 -0.201 0.000 2.356 264 G HA2 0.415 4.375 3.960 -0.000 0.000 0.281 264 G HA3 0.415 4.375 3.960 -0.000 0.000 0.281 264 G C 0.015 174.741 174.900 -0.290 0.000 1.246 264 G CA 0.070 45.063 45.100 -0.177 0.000 0.889 264 G HN 0.051 nan 8.290 nan 0.000 0.486 265 A N -0.787 121.907 122.820 -0.210 0.000 1.887 265 A HA 0.467 4.787 4.320 -0.000 0.000 0.212 265 A C 1.472 178.844 177.584 -0.353 0.000 1.198 265 A CA 1.389 53.288 52.037 -0.230 0.000 0.628 265 A CB -0.814 18.212 19.000 0.044 0.000 0.847 265 A HN 1.578 nan 8.150 nan 0.000 0.449 266 V N 2.397 122.167 119.914 -0.240 0.000 3.009 266 V HA -0.118 4.002 4.120 -0.000 0.000 0.267 266 V C -0.262 175.688 176.094 -0.240 0.000 0.967 266 V CA 1.348 63.504 62.300 -0.240 0.000 1.157 266 V CB -1.373 30.231 31.823 -0.364 0.000 0.806 266 V HN 0.524 nan 8.190 nan 0.000 0.452 267 D N 4.831 125.129 120.400 -0.170 0.000 2.434 267 D HA 0.532 5.172 4.640 -0.000 0.000 0.275 267 D C -0.815 175.476 176.300 -0.015 0.000 1.172 267 D CA -0.141 53.784 54.000 -0.125 0.000 0.916 267 D CB 1.147 41.853 40.800 -0.156 0.000 1.041 267 D HN 0.274 nan 8.370 nan 0.000 0.501 268 V N 5.372 125.287 119.914 0.002 0.000 2.777 268 V HA 0.345 4.465 4.120 -0.000 0.000 0.306 268 V C -1.449 174.677 176.094 0.052 0.000 1.112 268 V CA -1.285 61.035 62.300 0.033 0.000 0.917 268 V CB 2.195 34.041 31.823 0.038 0.000 1.018 268 V HN 0.320 nan 8.190 nan 0.000 0.426 269 P HA -0.163 nan 4.420 nan 0.000 0.220 269 P C 0.034 177.362 177.300 0.045 0.000 0.963 269 P CA 0.834 63.953 63.100 0.033 0.000 1.015 269 P CB 0.225 31.940 31.700 0.025 0.000 0.609 270 D N -0.291 120.132 120.400 0.039 0.000 2.343 270 D HA 0.404 5.044 4.640 -0.000 0.000 0.255 270 D C -0.374 175.971 176.300 0.075 0.000 1.187 270 D CA 0.437 54.462 54.000 0.041 0.000 0.875 270 D CB -0.197 40.621 40.800 0.031 0.000 1.136 270 D HN 0.062 nan 8.370 nan 0.000 0.469 271 L N 3.271 124.559 121.223 0.108 0.000 2.439 271 L HA 0.497 4.837 4.340 -0.000 0.000 0.270 271 L C -0.757 176.232 176.870 0.198 0.000 0.972 271 L CA -0.813 54.133 54.840 0.176 0.000 0.836 271 L CB 1.826 44.053 42.059 0.279 0.000 1.255 271 L HN 0.133 nan 8.230 nan 0.000 0.404 272 V N 1.828 121.844 119.914 0.170 0.000 3.166 272 V HA 0.369 4.489 4.120 -0.000 0.000 0.317 272 V C -0.275 175.971 176.094 0.253 0.000 1.136 272 V CA -0.339 62.066 62.300 0.175 0.000 1.035 272 V CB 2.371 34.263 31.823 0.115 0.000 1.110 272 V HN 0.634 nan 8.190 nan 0.000 0.450 273 Y N 0.702 121.047 120.300 0.074 0.000 2.333 273 Y HA 0.063 4.613 4.550 -0.000 0.000 0.287 273 Y C 2.665 178.595 175.900 0.051 0.000 1.149 273 Y CA 1.817 59.954 58.100 0.061 0.000 1.193 273 Y CB -0.306 38.189 38.460 0.058 0.000 1.175 273 Y HN 0.588 nan 8.280 nan 0.000 0.518 274 S N 0.420 116.150 115.700 0.049 0.000 2.444 274 S HA -0.204 4.266 4.470 -0.000 0.000 0.244 274 S C 0.265 174.821 174.600 -0.073 0.000 1.025 274 S CA 1.321 59.488 58.200 -0.055 0.000 0.995 274 S CB -0.604 62.616 63.200 0.033 0.000 0.781 274 S HN 0.520 nan 8.310 nan 0.000 0.496 275 E N 1.040 121.226 120.200 -0.023 0.000 2.167 275 E HA 0.571 4.921 4.350 -0.000 0.000 0.247 275 E C -0.681 175.907 176.600 -0.020 0.000 0.961 275 E CA -0.203 56.194 56.400 -0.006 0.000 0.797 275 E CB 0.976 30.699 29.700 0.039 0.000 1.182 275 E HN 0.339 nan 8.360 nan 0.000 0.437 276 A N 1.887 124.666 122.820 -0.068 0.000 1.818 276 A HA 0.385 4.705 4.320 -0.000 0.000 0.267 276 A C 0.048 177.582 177.584 -0.083 0.000 0.972 276 A CA -0.580 51.427 52.037 -0.050 0.000 0.890 276 A CB -0.017 18.970 19.000 -0.022 0.000 0.973 276 A HN 0.513 nan 8.150 nan 0.000 0.332 277 G N 2.475 111.253 108.800 -0.037 0.000 2.554 277 G HA2 0.453 4.413 3.960 -0.000 0.000 0.238 277 G HA3 0.453 4.413 3.960 -0.000 0.000 0.238 277 G C -1.017 173.881 174.900 -0.004 0.000 1.259 277 G CA -0.909 44.172 45.100 -0.032 0.000 0.843 277 G HN 0.386 nan 8.290 nan 0.000 0.582 278 P HA -0.162 nan 4.420 nan 0.000 0.217 278 P C 1.994 179.358 177.300 0.106 0.000 1.148 278 P CA 0.765 63.893 63.100 0.047 0.000 0.834 278 P CB 0.135 31.846 31.700 0.018 0.000 0.783 279 V N -0.475 119.477 119.914 0.065 0.000 2.407 279 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 279 V C 2.374 178.592 176.094 0.208 0.000 1.055 279 V CA 2.111 64.476 62.300 0.108 0.000 1.049 279 V CB -1.671 30.173 31.823 0.035 0.000 0.662 279 V HN 0.133 nan 8.190 nan 0.000 0.455 280 A N 0.184 123.083 122.820 0.132 0.000 1.841 280 A HA -0.117 4.203 4.320 -0.000 0.000 0.214 280 A C 2.110 179.775 177.584 0.135 0.000 1.195 280 A CA 1.725 53.833 52.037 0.119 0.000 0.611 280 A CB -0.599 18.441 19.000 0.068 0.000 0.835 280 A HN 0.401 nan 8.150 nan 0.000 0.443 281 L N -2.031 119.272 121.223 0.133 0.000 1.971 281 L HA -0.212 4.128 4.340 -0.000 0.000 0.215 281 L C 2.246 179.203 176.870 0.144 0.000 1.072 281 L CA 2.229 57.149 54.840 0.134 0.000 0.758 281 L CB -1.255 40.903 42.059 0.164 0.000 0.889 281 L HN 0.716 nan 8.230 nan 0.000 0.433 282 W N 1.082 122.402 121.300 0.033 0.000 2.278 282 W HA -0.381 4.279 4.660 -0.000 0.000 0.336 282 W C 2.557 179.096 176.519 0.033 0.000 1.322 282 W CA 2.991 60.354 57.345 0.031 0.000 1.217 282 W CB -0.821 28.652 29.460 0.023 0.000 1.140 282 W HN 0.259 nan 8.180 nan 0.000 0.465 283 L N 0.363 121.676 121.223 0.149 0.000 2.085 283 L HA -0.203 4.137 4.340 -0.000 0.000 0.218 283 L C 2.166 178.933 176.870 -0.171 0.000 1.080 283 L CA 3.241 58.026 54.840 -0.091 0.000 0.776 283 L CB -2.157 39.992 42.059 0.150 0.000 0.891 283 L HN 0.116 nan 8.230 nan 0.000 0.437 284 A N -0.187 122.593 122.820 -0.067 0.000 1.844 284 A HA -0.061 4.259 4.320 -0.000 0.000 0.212 284 A C 2.554 180.104 177.584 -0.057 0.000 1.221 284 A CA 1.193 53.206 52.037 -0.041 0.000 0.607 284 A CB -0.723 18.276 19.000 -0.000 0.000 0.878 284 A HN 0.446 nan 8.150 nan 0.000 0.451 285 R N -0.335 120.125 120.500 -0.067 0.000 2.113 285 R HA -0.160 4.179 4.340 -0.000 0.000 0.244 285 R C 1.845 178.094 176.300 -0.086 0.000 1.142 285 R CA 2.087 58.152 56.100 -0.058 0.000 0.953 285 R CB -0.588 29.687 30.300 -0.042 0.000 0.860 285 R HN 0.294 nan 8.270 nan 0.000 0.438 286 V N 1.013 120.773 119.914 -0.257 0.000 3.141 286 V HA -0.133 3.987 4.120 -0.000 0.000 0.265 286 V C 2.436 178.382 176.094 -0.246 0.000 1.126 286 V CA 1.482 63.577 62.300 -0.342 0.000 1.141 286 V CB -0.542 30.799 31.823 -0.804 0.000 0.743 286 V HN 0.371 nan 8.190 nan 0.000 0.492 287 R N -1.520 118.879 120.500 -0.169 0.000 2.073 287 R HA -0.194 4.146 4.340 -0.000 0.000 0.234 287 R C 2.018 178.272 176.300 -0.077 0.000 1.134 287 R CA 2.509 58.545 56.100 -0.108 0.000 0.952 287 R CB -0.332 29.956 30.300 -0.019 0.000 0.850 287 R HN 0.591 nan 8.270 nan 0.000 0.433 288 W N 0.391 121.620 121.300 -0.118 0.000 2.413 288 W HA -0.074 4.586 4.660 -0.000 0.000 0.315 288 W C 1.943 178.414 176.519 -0.082 0.000 1.186 288 W CA 0.519 57.813 57.345 -0.086 0.000 1.326 288 W CB -0.643 28.773 29.460 -0.073 0.000 1.153 288 W HN 0.062 nan 8.180 nan 0.000 0.489 289 L N 0.297 121.594 121.223 0.124 0.000 2.283 289 L HA -0.238 4.102 4.340 -0.000 0.000 0.217 289 L C 1.717 178.574 176.870 -0.021 0.000 1.104 289 L CA 1.520 56.387 54.840 0.046 0.000 0.772 289 L CB -1.075 40.988 42.059 0.007 0.000 0.899 289 L HN -0.058 nan 8.230 nan 0.000 0.439 290 V N -0.501 119.368 119.914 -0.075 0.000 2.341 290 V HA -0.169 3.951 4.120 -0.000 0.000 0.240 290 V C 2.361 178.377 176.094 -0.131 0.000 1.035 290 V CA 1.006 63.247 62.300 -0.097 0.000 1.033 290 V CB 0.187 31.942 31.823 -0.112 0.000 0.678 290 V HN 0.233 nan 8.190 nan 0.000 0.464 291 I N -0.139 120.300 120.570 -0.219 0.000 2.315 291 I HA -0.289 3.881 4.170 -0.000 0.000 0.251 291 I C 2.352 178.340 176.117 -0.213 0.000 1.125 291 I CA 1.370 62.512 61.300 -0.263 0.000 1.392 291 I CB -0.279 37.454 38.000 -0.445 0.000 1.065 291 I HN 0.327 nan 8.210 nan 0.000 0.424 292 L N 0.624 121.741 121.223 -0.177 0.000 2.046 292 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 292 L C 1.826 178.670 176.870 -0.044 0.000 1.077 292 L CA 1.790 56.586 54.840 -0.074 0.000 0.747 292 L CB -0.260 41.816 42.059 0.028 0.000 0.896 292 L HN 0.114 nan 8.230 nan 0.000 0.432 293 I N -0.285 120.261 120.570 -0.041 0.000 3.752 293 I HA -0.008 4.162 4.170 -0.000 0.000 0.313 293 I C 1.654 177.749 176.117 -0.035 0.000 1.304 293 I CA 0.547 61.831 61.300 -0.027 0.000 1.171 293 I CB -1.113 36.879 38.000 -0.014 0.000 1.038 293 I HN 0.343 nan 8.210 nan 0.000 0.427 294 L N 0.092 121.282 121.223 -0.055 0.000 2.269 294 L HA 0.014 4.354 4.340 -0.000 0.000 0.200 294 L C 2.144 178.987 176.870 -0.044 0.000 1.069 294 L CA 0.934 55.741 54.840 -0.054 0.000 0.804 294 L CB -0.111 41.900 42.059 -0.079 0.000 0.987 294 L HN 0.040 nan 8.230 nan 0.000 0.468 295 T N -0.095 114.428 114.554 -0.051 0.000 2.857 295 T HA -0.010 4.340 4.350 -0.000 0.000 0.266 295 T C 1.689 176.376 174.700 -0.023 0.000 1.048 295 T CA 1.011 63.089 62.100 -0.037 0.000 1.139 295 T CB -0.601 68.242 68.868 -0.042 0.000 0.874 295 T HN 0.588 nan 8.240 nan 0.000 0.455 296 G N 1.419 110.207 108.800 -0.020 0.000 2.432 296 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.219 296 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.219 296 G C 1.576 176.471 174.900 -0.008 0.000 1.135 296 G CA 0.463 45.557 45.100 -0.010 0.000 0.767 296 G HN 0.340 nan 8.290 nan 0.000 0.550 297 M N 0.290 119.884 119.600 -0.011 0.000 2.082 297 M HA -0.133 4.347 4.480 -0.000 0.000 0.258 297 M C 2.689 178.987 176.300 -0.003 0.000 1.069 297 M CA 1.288 56.584 55.300 -0.007 0.000 1.102 297 M CB -0.542 32.052 32.600 -0.010 0.000 1.336 297 M HN 0.143 nan 8.290 nan 0.000 0.404 298 V N -0.211 119.699 119.914 -0.007 0.000 2.660 298 V HA -0.278 3.842 4.120 -0.000 0.000 0.257 298 V C 2.394 178.488 176.094 -0.000 0.000 1.088 298 V CA 2.155 64.454 62.300 -0.002 0.000 1.106 298 V CB -1.396 30.424 31.823 -0.005 0.000 0.686 298 V HN 0.610 nan 8.190 nan 0.000 0.481 299 T N -0.928 113.623 114.554 -0.004 0.000 2.684 299 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 299 T C 2.117 176.818 174.700 0.001 0.000 1.036 299 T CA 2.328 64.425 62.100 -0.006 0.000 1.148 299 T CB -0.203 68.660 68.868 -0.008 0.000 0.863 299 T HN 0.514 nan 8.240 nan 0.000 0.436 300 S N -0.222 115.481 115.700 0.006 0.000 2.461 300 S HA 0.011 4.481 4.470 -0.000 0.000 0.228 300 S C 2.239 176.853 174.600 0.024 0.000 1.005 300 S CA 1.371 59.579 58.200 0.014 0.000 0.942 300 S CB -0.656 62.552 63.200 0.014 0.000 0.776 300 S HN 0.607 nan 8.310 nan 0.000 0.514 301 S N 0.478 116.192 115.700 0.022 0.000 2.402 301 S HA -0.016 4.454 4.470 -0.000 0.000 0.229 301 S C 1.660 176.291 174.600 0.051 0.000 1.021 301 S CA 0.914 59.132 58.200 0.031 0.000 0.974 301 S CB -0.314 62.900 63.200 0.022 0.000 0.800 301 S HN 0.485 nan 8.310 nan 0.000 0.484 302 I N 1.256 121.854 120.570 0.047 0.000 2.584 302 I HA 0.196 4.366 4.170 -0.000 0.000 0.255 302 I C 1.931 178.102 176.117 0.089 0.000 1.145 302 I CA 0.634 61.977 61.300 0.072 0.000 1.462 302 I CB -0.362 37.649 38.000 0.018 0.000 1.102 302 I HN 0.331 nan 8.210 nan 0.000 0.433 303 L N -0.143 121.111 121.223 0.052 0.000 2.549 303 L HA -0.218 4.122 4.340 -0.000 0.000 0.230 303 L C 2.138 179.069 176.870 0.103 0.000 1.162 303 L CA 0.956 55.833 54.840 0.061 0.000 0.834 303 L CB -0.090 41.992 42.059 0.039 0.000 0.947 303 L HN 0.375 nan 8.230 nan 0.000 0.452 304 Q N -0.542 119.320 119.800 0.103 0.000 2.063 304 Q HA -0.021 4.319 4.340 -0.000 0.000 0.194 304 Q C 2.047 178.121 176.000 0.122 0.000 0.974 304 Q CA 1.533 57.392 55.803 0.093 0.000 0.827 304 Q CB -0.511 28.264 28.738 0.062 0.000 0.902 304 Q HN 0.323 nan 8.270 nan 0.000 0.462 305 G N -0.285 108.605 108.800 0.150 0.000 2.606 305 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.223 305 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.223 305 G C 0.222 175.161 174.900 0.064 0.000 1.106 305 G CA 0.874 46.048 45.100 0.124 0.000 0.745 305 G HN 0.351 nan 8.290 nan 0.000 0.597 306 F N 0.822 120.777 119.950 0.009 0.000 2.732 306 F HA 0.323 4.850 4.527 -0.000 0.000 0.312 306 F C 1.436 177.243 175.800 0.011 0.000 1.240 306 F CA -0.720 57.285 58.000 0.009 0.000 1.211 306 F CB 0.521 39.529 39.000 0.012 0.000 1.331 306 F HN 0.424 nan 8.300 nan 0.000 0.537 307 E N -1.853 118.410 120.200 0.104 0.000 2.251 307 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 307 E C 1.728 178.352 176.600 0.039 0.000 0.964 307 E CA 0.751 57.194 56.400 0.071 0.000 0.868 307 E CB -0.125 29.603 29.700 0.047 0.000 0.828 307 E HN 0.142 nan 8.360 nan 0.000 0.481 308 S N 1.261 116.965 115.700 0.006 0.000 2.359 308 S HA -0.161 4.309 4.470 -0.000 0.000 0.222 308 S C 2.090 176.694 174.600 0.007 0.000 1.038 308 S CA 1.674 59.868 58.200 -0.010 0.000 1.051 308 S CB -0.405 62.767 63.200 -0.045 0.000 0.944 308 S HN 0.208 nan 8.310 nan 0.000 0.433 309 V N 1.715 121.639 119.914 0.016 0.000 2.809 309 V HA -0.003 4.117 4.120 -0.000 0.000 0.256 309 V C 2.080 178.204 176.094 0.051 0.000 1.080 309 V CA 0.867 63.188 62.300 0.035 0.000 1.102 309 V CB -0.749 31.111 31.823 0.061 0.000 0.705 309 V HN 0.292 nan 8.190 nan 0.000 0.475 310 L N 0.733 121.999 121.223 0.070 0.000 2.156 310 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 310 L C 2.258 179.155 176.870 0.044 0.000 1.095 310 L CA 1.851 56.732 54.840 0.069 0.000 0.770 310 L CB -0.699 41.416 42.059 0.093 0.000 0.914 310 L HN 0.402 nan 8.230 nan 0.000 0.439 311 E N -0.938 119.284 120.200 0.036 0.000 2.409 311 E HA -0.155 4.195 4.350 -0.000 0.000 0.198 311 E C 1.908 178.522 176.600 0.022 0.000 1.024 311 E CA 0.754 57.171 56.400 0.029 0.000 0.861 311 E CB 0.096 29.809 29.700 0.022 0.000 0.788 311 E HN 0.632 nan 8.360 nan 0.000 0.521 312 A N 0.099 122.930 122.820 0.019 0.000 1.911 312 A HA 0.008 4.328 4.320 -0.000 0.000 0.212 312 A C 1.726 179.311 177.584 0.001 0.000 1.189 312 A CA 0.342 52.385 52.037 0.010 0.000 0.639 312 A CB 0.099 19.103 19.000 0.007 0.000 0.839 312 A HN 0.138 nan 8.150 nan 0.000 0.449 313 V N 1.897 121.811 119.914 -0.001 0.000 3.299 313 V HA -0.030 4.090 4.120 -0.000 0.000 0.369 313 V C 1.600 177.684 176.094 -0.017 0.000 1.245 313 V CA 1.265 63.548 62.300 -0.028 0.000 1.459 313 V CB -1.692 30.119 31.823 -0.020 0.000 1.203 313 V HN 0.555 nan 8.190 nan 0.000 0.451 314 T N 1.465 116.021 114.554 0.003 0.000 2.735 314 T HA -0.083 4.267 4.350 -0.000 0.000 0.256 314 T C 2.153 176.881 174.700 0.047 0.000 1.042 314 T CA 1.468 63.586 62.100 0.031 0.000 1.147 314 T CB -0.158 68.730 68.868 0.033 0.000 0.865 314 T HN 0.630 nan 8.240 nan 0.000 0.421 315 A N 0.220 123.058 122.820 0.029 0.000 2.186 315 A HA 0.174 4.494 4.320 -0.000 0.000 0.219 315 A C 1.356 178.890 177.584 -0.083 0.000 1.159 315 A CA 1.046 53.119 52.037 0.060 0.000 0.680 315 A CB -0.445 18.585 19.000 0.051 0.000 0.787 315 A HN 0.453 nan 8.150 nan 0.000 0.467 316 L N -4.651 116.382 121.223 -0.317 0.000 3.000 316 L HA 0.605 4.945 4.340 -0.000 0.000 0.237 316 L C 1.415 177.890 176.870 -0.659 0.000 1.943 316 L CA 0.064 54.292 54.840 -1.020 0.000 2.046 316 L CB 0.819 42.426 42.059 -0.753 0.000 2.173 316 L HN 0.506 nan 8.230 nan 0.000 0.565 317 A N -0.832 121.715 122.820 -0.455 0.000 3.526 317 A HA -0.251 4.069 4.320 -0.000 0.000 0.254 317 A C 0.962 178.527 177.584 -0.032 0.000 1.109 317 A CA 1.360 53.364 52.037 -0.056 0.000 1.395 317 A CB -2.564 16.456 19.000 0.033 0.000 1.057 317 A HN 0.565 nan 8.150 nan 0.000 0.901 318 F N -1.868 117.997 119.950 -0.142 0.000 2.641 318 F HA 0.080 4.607 4.527 -0.000 0.000 0.298 318 F C 1.237 176.836 175.800 -0.335 0.000 1.146 318 F CA 0.635 58.474 58.000 -0.267 0.000 1.464 318 F CB -0.368 38.383 39.000 -0.416 0.000 1.101 318 F HN 0.438 nan 8.300 nan 0.000 0.585 319 Y N 0.165 120.499 120.300 0.057 0.000 2.928 319 Y HA 0.293 4.843 4.550 -0.000 0.000 0.390 319 Y C 0.788 176.521 175.900 -0.279 0.000 1.101 319 Y CA -0.637 57.461 58.100 -0.005 0.000 1.777 319 Y CB 0.258 38.779 38.460 0.102 0.000 1.720 319 Y HN -0.084 nan 8.280 nan 0.000 0.484 320 V N 0.305 120.152 119.914 -0.112 0.000 3.562 320 V HA 0.039 4.159 4.120 -0.000 0.000 0.270 320 V C -1.197 174.834 176.094 -0.105 0.000 1.418 320 V CA 0.034 62.191 62.300 -0.238 0.000 1.033 320 V CB 0.097 31.816 31.823 -0.173 0.000 0.820 320 V HN 0.313 nan 8.190 nan 0.000 0.441 321 P HA -0.001 nan 4.420 nan 0.000 0.211 321 P C 1.809 179.121 177.300 0.019 0.000 1.188 321 P CA 1.205 64.307 63.100 0.002 0.000 0.904 321 P CB 0.145 31.858 31.700 0.022 0.000 0.765 322 V N 0.439 120.394 119.914 0.069 0.000 2.392 322 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 322 V C 2.834 178.951 176.094 0.038 0.000 1.059 322 V CA 1.605 63.952 62.300 0.078 0.000 1.051 322 V CB -1.309 30.604 31.823 0.149 0.000 0.658 322 V HN 0.001 nan 8.190 nan 0.000 0.455 323 L N -0.998 120.226 121.223 0.003 0.000 2.023 323 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 323 L C 2.217 179.051 176.870 -0.060 0.000 1.073 323 L CA 1.486 56.292 54.840 -0.056 0.000 0.745 323 L CB -0.259 41.680 42.059 -0.200 0.000 0.900 323 L HN 0.228 nan 8.230 nan 0.000 0.435 324 L N -0.084 121.085 121.223 -0.090 0.000 2.275 324 L HA 0.012 4.352 4.340 -0.000 0.000 0.215 324 L C 2.156 179.017 176.870 -0.016 0.000 1.119 324 L CA 1.723 56.529 54.840 -0.057 0.000 0.790 324 L CB -1.238 40.777 42.059 -0.073 0.000 0.919 324 L HN 0.341 nan 8.230 nan 0.000 0.443 325 G N -2.150 106.646 108.800 -0.006 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 1.432 176.343 174.900 0.018 0.000 1.189 325 G CA 0.872 45.977 45.100 0.009 0.000 0.796 325 G HN 0.344 nan 8.290 nan 0.000 0.532 326 T N 1.246 115.814 114.554 0.022 0.000 2.759 326 T HA -0.082 4.268 4.350 -0.000 0.000 0.269 326 T C 2.435 177.156 174.700 0.035 0.000 1.042 326 T CA 1.479 63.597 62.100 0.030 0.000 1.140 326 T CB -0.527 68.362 68.868 0.035 0.000 0.864 326 T HN 0.349 nan 8.240 nan 0.000 0.455 327 G N 0.582 109.404 108.800 0.036 0.000 2.448 327 G HA2 0.007 3.967 3.960 -0.000 0.000 0.219 327 G HA3 0.007 3.967 3.960 -0.000 0.000 0.219 327 G C 1.580 176.505 174.900 0.042 0.000 1.127 327 G CA 0.903 46.033 45.100 0.050 0.000 0.766 327 G HN 0.574 nan 8.290 nan 0.000 0.552 328 G N 0.943 109.760 108.800 0.030 0.000 2.404 328 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.213 328 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.213 328 G C 1.671 176.586 174.900 0.025 0.000 1.189 328 G CA 0.721 45.837 45.100 0.026 0.000 0.796 328 G HN 0.354 nan 8.290 nan 0.000 0.532 329 N N 0.787 119.501 118.700 0.023 0.000 2.091 329 N HA -0.149 4.591 4.740 -0.000 0.000 0.193 329 N C 2.235 177.757 175.510 0.021 0.000 1.021 329 N CA 1.810 54.872 53.050 0.020 0.000 0.862 329 N CB -0.791 37.709 38.487 0.021 0.000 1.018 329 N HN 0.220 nan 8.380 nan 0.000 0.429 330 T N 0.609 115.179 114.554 0.026 0.000 2.595 330 T HA -0.118 4.232 4.350 -0.000 0.000 0.264 330 T C 1.942 176.653 174.700 0.019 0.000 1.058 330 T CA 1.789 63.904 62.100 0.025 0.000 1.166 330 T CB -0.937 67.952 68.868 0.034 0.000 0.863 330 T HN 0.457 nan 8.240 nan 0.000 0.415 331 G N 1.424 110.239 108.800 0.024 0.000 2.562 331 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.223 331 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.223 331 G C 1.569 176.480 174.900 0.018 0.000 1.102 331 G CA 1.347 46.460 45.100 0.022 0.000 0.742 331 G HN 0.407 nan 8.290 nan 0.000 0.587 332 N N 0.246 118.956 118.700 0.016 0.000 2.085 332 N HA -0.032 4.708 4.740 -0.000 0.000 0.191 332 N C 2.365 177.879 175.510 0.007 0.000 1.058 332 N CA 1.317 54.373 53.050 0.010 0.000 0.849 332 N CB -0.570 37.922 38.487 0.008 0.000 1.038 332 N HN 0.400 nan 8.380 nan 0.000 0.434 333 Q N 0.219 120.024 119.800 0.007 0.000 2.124 333 Q HA -0.286 4.054 4.340 -0.000 0.000 0.215 333 Q C 2.039 178.044 176.000 0.008 0.000 1.015 333 Q CA 2.208 58.014 55.803 0.006 0.000 0.890 333 Q CB -0.510 28.233 28.738 0.008 0.000 0.966 333 Q HN 0.364 nan 8.270 nan 0.000 0.412 334 S N -0.047 115.660 115.700 0.011 0.000 2.414 334 S HA -0.286 4.184 4.470 -0.000 0.000 0.225 334 S C 2.018 176.633 174.600 0.026 0.000 1.041 334 S CA 1.764 59.974 58.200 0.017 0.000 1.114 334 S CB -0.573 62.633 63.200 0.010 0.000 1.064 334 S HN 0.502 nan 8.310 nan 0.000 0.420 335 A N 0.547 123.380 122.820 0.023 0.000 1.917 335 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 335 A C 2.429 180.012 177.584 -0.001 0.000 1.182 335 A CA 2.605 54.653 52.037 0.019 0.000 0.633 335 A CB -1.867 17.142 19.000 0.015 0.000 0.819 335 A HN 0.684 nan 8.150 nan 0.000 0.448 336 T N 0.639 115.190 114.554 -0.006 0.000 2.555 336 T HA -0.204 4.146 4.350 -0.000 0.000 0.264 336 T C 1.833 176.523 174.700 -0.018 0.000 1.083 336 T CA 1.752 63.842 62.100 -0.017 0.000 1.179 336 T CB -0.611 68.249 68.868 -0.014 0.000 0.863 336 T HN 0.389 nan 8.240 nan 0.000 0.412 337 L N 0.279 121.499 121.223 -0.005 0.000 1.997 337 L HA -0.157 4.183 4.340 -0.000 0.000 0.216 337 L C 2.585 179.454 176.870 -0.002 0.000 1.074 337 L CA 1.538 56.377 54.840 -0.001 0.000 0.763 337 L CB -0.700 41.366 42.059 0.012 0.000 0.890 337 L HN 0.306 nan 8.230 nan 0.000 0.434 338 I N -0.726 119.853 120.570 0.015 0.000 2.202 338 I HA -0.312 3.858 4.170 -0.000 0.000 0.242 338 I C 2.535 178.593 176.117 -0.098 0.000 1.091 338 I CA 1.319 62.622 61.300 0.005 0.000 1.368 338 I CB -0.271 37.791 38.000 0.103 0.000 1.058 338 I HN 0.226 nan 8.210 nan 0.000 0.410 339 I N 0.969 121.488 120.570 -0.086 0.000 2.091 339 I HA -0.382 3.788 4.170 -0.000 0.000 0.239 339 I C 2.944 178.995 176.117 -0.108 0.000 1.061 339 I CA 1.625 62.857 61.300 -0.114 0.000 1.317 339 I CB -0.247 37.707 38.000 -0.078 0.000 1.031 339 I HN 0.217 nan 8.210 nan 0.000 0.401 340 R N 0.993 121.447 120.500 -0.076 0.000 2.120 340 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 340 R C 2.114 178.372 176.300 -0.071 0.000 1.123 340 R CA 1.536 57.595 56.100 -0.067 0.000 0.975 340 R CB -0.401 29.869 30.300 -0.050 0.000 0.866 340 R HN 0.508 nan 8.270 nan 0.000 0.446 341 A N 1.534 124.312 122.820 -0.070 0.000 1.841 341 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 341 A C 2.223 179.751 177.584 -0.095 0.000 1.199 341 A CA 1.479 53.477 52.037 -0.064 0.000 0.621 341 A CB -0.813 18.161 19.000 -0.044 0.000 0.835 341 A HN 0.306 nan 8.150 nan 0.000 0.445 342 L N -0.434 120.693 121.223 -0.160 0.000 2.151 342 L HA -0.291 4.049 4.340 -0.000 0.000 0.215 342 L C 2.893 179.689 176.870 -0.124 0.000 1.084 342 L CA 1.946 56.673 54.840 -0.188 0.000 0.764 342 L CB -0.553 41.336 42.059 -0.283 0.000 0.891 342 L HN 0.463 nan 8.230 nan 0.000 0.435 343 A N -1.642 121.115 122.820 -0.104 0.000 1.874 343 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 343 A C 2.058 179.603 177.584 -0.066 0.000 1.189 343 A CA 1.576 53.564 52.037 -0.082 0.000 0.615 343 A CB -0.777 18.177 19.000 -0.077 0.000 0.830 343 A HN 0.381 nan 8.150 nan 0.000 0.443 344 T N 0.170 114.688 114.554 -0.060 0.000 3.541 344 T HA 0.131 4.481 4.350 -0.000 0.000 0.255 344 T C 0.551 175.223 174.700 -0.046 0.000 1.158 344 T CA 0.623 62.694 62.100 -0.049 0.000 1.000 344 T CB -0.553 68.290 68.868 -0.042 0.000 1.008 344 T HN 0.563 nan 8.240 nan 0.000 0.568 345 R N 0.238 120.707 120.500 -0.051 0.000 4.000 345 R HA -0.160 4.180 4.340 -0.000 0.000 0.348 345 R C -0.181 176.100 176.300 -0.032 0.000 1.204 345 R CA 1.109 57.183 56.100 -0.044 0.000 0.987 345 R CB -1.553 28.721 30.300 -0.044 0.000 1.446 345 R HN 0.396 nan 8.270 nan 0.000 0.555 346 D N 0.620 121.002 120.400 -0.030 0.000 2.256 346 D HA 0.497 5.137 4.640 -0.000 0.000 0.250 346 D C 0.650 176.950 176.300 -0.000 0.000 1.093 346 D CA 0.052 54.045 54.000 -0.012 0.000 0.882 346 D CB 0.557 41.350 40.800 -0.012 0.000 1.185 346 D HN 0.153 nan 8.370 nan 0.000 0.437 347 L N 1.184 122.426 121.223 0.033 0.000 0.640 347 L HA -0.216 4.124 4.340 -0.000 0.000 0.356 347 L C -0.105 176.805 176.870 0.065 0.000 0.995 347 L CA 0.406 55.296 54.840 0.083 0.000 1.223 347 L CB -0.868 41.255 42.059 0.107 0.000 0.095 347 L HN 0.564 nan 8.230 nan 0.000 0.099 348 D N -1.956 118.529 120.400 0.142 0.000 3.010 348 D HA 0.257 4.897 4.640 -0.000 0.000 0.353 348 D C -0.156 176.282 176.300 0.230 0.000 1.415 348 D CA -0.107 53.955 54.000 0.103 0.000 0.864 348 D CB 0.681 41.531 40.800 0.084 0.000 1.445 348 D HN 0.421 nan 8.370 nan 0.000 0.516 349 L N 1.417 122.736 121.223 0.161 0.000 2.291 349 L HA 0.074 4.414 4.340 -0.000 0.000 0.214 349 L C 2.006 179.048 176.870 0.286 0.000 1.120 349 L CA 1.794 56.747 54.840 0.189 0.000 0.799 349 L CB -0.275 41.821 42.059 0.061 0.000 0.925 349 L HN 0.399 nan 8.230 nan 0.000 0.446 350 R N -2.424 118.244 120.500 0.280 0.000 2.300 350 R HA 0.161 4.501 4.340 -0.000 0.000 0.199 350 R C 0.484 176.983 176.300 0.331 0.000 0.920 350 R CA 0.705 56.996 56.100 0.318 0.000 1.046 350 R CB -0.428 29.979 30.300 0.178 0.000 0.984 350 R HN 0.153 nan 8.270 nan 0.000 0.493 351 D N 0.814 121.425 120.400 0.351 0.000 2.336 351 D HA -0.009 4.631 4.640 -0.000 0.000 0.228 351 D C 0.824 177.267 176.300 0.238 0.000 1.120 351 D CA 0.054 54.214 54.000 0.265 0.000 0.839 351 D CB -0.039 40.919 40.800 0.264 0.000 0.932 351 D HN 0.450 nan 8.370 nan 0.000 0.509 352 W N 0.920 122.171 121.300 -0.081 0.000 2.453 352 W HA -0.026 4.634 4.660 -0.000 0.000 0.289 352 W C 1.300 177.643 176.519 -0.293 0.000 1.215 352 W CA 0.194 57.199 57.345 -0.566 0.000 1.297 352 W CB -0.914 28.205 29.460 -0.568 0.000 1.113 352 W HN -0.065 nan 8.180 nan 0.000 0.551 353 R N 0.588 120.538 120.500 -0.916 0.000 2.082 353 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 353 R C 2.517 178.632 176.300 -0.308 0.000 1.136 353 R CA 1.597 57.235 56.100 -0.770 0.000 0.935 353 R CB -0.886 28.992 30.300 -0.703 0.000 0.842 353 R HN -0.074 nan 8.270 nan 0.000 0.430 354 R N 1.116 121.489 120.500 -0.211 0.000 2.139 354 R HA -0.140 4.200 4.340 -0.000 0.000 0.243 354 R C 2.061 178.326 176.300 -0.057 0.000 1.145 354 R CA 1.803 57.843 56.100 -0.100 0.000 0.976 354 R CB -0.249 30.025 30.300 -0.043 0.000 0.866 354 R HN 0.277 nan 8.270 nan 0.000 0.449 355 V N -1.547 118.327 119.914 -0.066 0.000 2.426 355 V HA -0.103 4.017 4.120 -0.000 0.000 0.242 355 V C 2.212 178.315 176.094 0.015 0.000 1.036 355 V CA 1.072 63.357 62.300 -0.025 0.000 1.044 355 V CB -1.128 30.666 31.823 -0.049 0.000 0.688 355 V HN 0.151 nan 8.190 nan 0.000 0.462 356 F N 0.830 120.649 119.950 -0.219 0.000 2.063 356 F HA -0.300 4.227 4.527 -0.000 0.000 0.298 356 F C 2.232 177.943 175.800 -0.148 0.000 1.105 356 F CA 2.028 59.916 58.000 -0.187 0.000 1.215 356 F CB 0.025 38.884 39.000 -0.234 0.000 0.972 356 F HN 0.090 nan 8.300 nan 0.000 0.483 357 L N 0.302 121.531 121.223 0.010 0.000 1.961 357 L HA -0.280 4.060 4.340 -0.000 0.000 0.209 357 L C 2.428 179.278 176.870 -0.034 0.000 1.075 357 L CA 1.827 56.613 54.840 -0.091 0.000 0.749 357 L CB -0.979 41.005 42.059 -0.125 0.000 0.890 357 L HN 0.058 nan 8.230 nan 0.000 0.433 358 K N 0.087 120.472 120.400 -0.025 0.000 2.163 358 K HA -0.319 4.001 4.320 -0.000 0.000 0.210 358 K C 1.979 178.575 176.600 -0.006 0.000 1.048 358 K CA 2.203 58.483 56.287 -0.012 0.000 0.928 358 K CB -0.007 32.491 32.500 -0.003 0.000 0.716 358 K HN 0.138 nan 8.250 nan 0.000 0.459 359 E N 0.167 120.364 120.200 -0.005 0.000 2.046 359 E HA -0.065 4.285 4.350 -0.000 0.000 0.190 359 E C 1.916 178.472 176.600 -0.073 0.000 0.982 359 E CA 1.346 57.724 56.400 -0.035 0.000 0.800 359 E CB -0.035 29.639 29.700 -0.043 0.000 0.756 359 E HN 0.292 nan 8.360 nan 0.000 0.449 360 M N -0.520 119.049 119.600 -0.051 0.000 2.146 360 M HA -0.214 4.266 4.480 -0.000 0.000 0.256 360 M C 2.109 178.514 176.300 0.175 0.000 1.075 360 M CA 1.802 57.139 55.300 0.060 0.000 1.082 360 M CB -0.562 32.127 32.600 0.147 0.000 1.355 360 M HN 0.288 nan 8.290 nan 0.000 0.402 361 G N -0.225 108.616 108.800 0.067 0.000 2.434 361 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 361 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 361 G C 1.363 176.297 174.900 0.056 0.000 1.202 361 G CA 1.093 46.227 45.100 0.058 0.000 0.788 361 G HN 0.434 nan 8.290 nan 0.000 0.539 362 V N 0.573 120.501 119.914 0.023 0.000 2.407 362 V HA -0.004 4.116 4.120 -0.000 0.000 0.248 362 V C 2.885 178.999 176.094 0.033 0.000 1.055 362 V CA 1.823 64.134 62.300 0.019 0.000 1.049 362 V CB -1.548 30.275 31.823 0.001 0.000 0.662 362 V HN 0.340 nan 8.190 nan 0.000 0.455 363 G N 0.234 109.042 108.800 0.015 0.000 2.484 363 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.215 363 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.215 363 G C 1.604 176.652 174.900 0.245 0.000 1.219 363 G CA 1.099 46.223 45.100 0.041 0.000 0.791 363 G HN 0.480 nan 8.290 nan 0.000 0.550 364 L N -0.017 121.451 121.223 0.408 0.000 2.362 364 L HA 0.170 4.510 4.340 -0.000 0.000 0.219 364 L C 2.690 179.622 176.870 0.104 0.000 1.134 364 L CA 0.258 55.233 54.840 0.224 0.000 0.807 364 L CB -0.044 42.070 42.059 0.091 0.000 0.927 364 L HN 0.241 nan 8.230 nan 0.000 0.447 365 L N -1.152 120.126 121.223 0.092 0.000 2.044 365 L HA -0.214 4.126 4.340 -0.000 0.000 0.205 365 L C 2.260 179.160 176.870 0.050 0.000 1.075 365 L CA 1.168 56.038 54.840 0.050 0.000 0.747 365 L CB -0.048 42.034 42.059 0.038 0.000 0.903 365 L HN 0.244 nan 8.230 nan 0.000 0.435 366 L N -1.185 120.075 121.223 0.061 0.000 2.007 366 L HA -0.094 4.246 4.340 -0.000 0.000 0.205 366 L C 2.625 179.538 176.870 0.071 0.000 1.073 366 L CA 1.286 56.161 54.840 0.058 0.000 0.744 366 L CB -1.371 40.720 42.059 0.054 0.000 0.898 366 L HN 0.323 nan 8.230 nan 0.000 0.435 367 G N 0.551 109.405 108.800 0.091 0.000 2.596 367 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.223 367 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.223 367 G C 1.564 176.511 174.900 0.077 0.000 1.120 367 G CA 1.400 46.556 45.100 0.094 0.000 0.752 367 G HN 0.266 nan 8.290 nan 0.000 0.596 368 L N 0.143 121.405 121.223 0.065 0.000 2.044 368 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 368 L C 3.238 180.160 176.870 0.085 0.000 1.075 368 L CA 1.621 56.496 54.840 0.059 0.000 0.747 368 L CB -1.126 40.951 42.059 0.030 0.000 0.903 368 L HN 0.193 nan 8.230 nan 0.000 0.435 369 T N 0.614 115.212 114.554 0.073 0.000 2.720 369 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 369 T C 1.990 176.778 174.700 0.147 0.000 1.037 369 T CA 1.284 63.441 62.100 0.096 0.000 1.144 369 T CB -0.377 68.529 68.868 0.063 0.000 0.864 369 T HN 0.166 nan 8.240 nan 0.000 0.444 370 L N 0.671 121.956 121.223 0.104 0.000 2.027 370 L HA -0.077 4.263 4.340 -0.000 0.000 0.206 370 L C 2.998 179.917 176.870 0.081 0.000 1.074 370 L CA 1.057 55.949 54.840 0.086 0.000 0.745 370 L CB -0.782 41.317 42.059 0.068 0.000 0.898 370 L HN 0.255 nan 8.230 nan 0.000 0.433 371 S N -0.086 115.666 115.700 0.088 0.000 2.365 371 S HA -0.270 4.200 4.470 -0.000 0.000 0.225 371 S C 1.963 176.611 174.600 0.080 0.000 1.039 371 S CA 1.736 59.979 58.200 0.072 0.000 1.033 371 S CB -0.428 62.817 63.200 0.075 0.000 0.887 371 S HN 0.425 nan 8.310 nan 0.000 0.447 372 F N 1.931 121.877 119.950 -0.006 0.000 2.154 372 F HA -0.120 4.407 4.527 -0.000 0.000 0.301 372 F C 1.640 177.432 175.800 -0.014 0.000 1.087 372 F CA 1.519 59.510 58.000 -0.015 0.000 1.274 372 F CB -0.469 38.520 39.000 -0.019 0.000 1.009 372 F HN 0.211 nan 8.300 nan 0.000 0.485 373 L N -0.706 120.418 121.223 -0.165 0.000 1.988 373 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 373 L C 2.424 179.173 176.870 -0.202 0.000 1.071 373 L CA 1.046 55.731 54.840 -0.258 0.000 0.744 373 L CB -1.114 40.915 42.059 -0.050 0.000 0.893 373 L HN 0.264 nan 8.230 nan 0.000 0.433 374 L N -0.185 120.977 121.223 -0.102 0.000 1.955 374 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 374 L C 2.382 179.176 176.870 -0.126 0.000 1.072 374 L CA 1.817 56.601 54.840 -0.093 0.000 0.755 374 L CB -0.540 41.481 42.059 -0.064 0.000 0.888 374 L HN -0.052 nan 8.230 nan 0.000 0.432 375 V N 0.440 120.290 119.914 -0.107 0.000 2.688 375 V HA -0.207 3.913 4.120 -0.000 0.000 0.256 375 V C 2.576 178.631 176.094 -0.067 0.000 1.084 375 V CA 1.520 63.773 62.300 -0.078 0.000 1.103 375 V CB -1.667 30.134 31.823 -0.036 0.000 0.688 375 V HN 0.690 nan 8.190 nan 0.000 0.480 376 G N -0.036 108.652 108.800 -0.188 0.000 2.432 376 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 376 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 376 G C 1.628 176.520 174.900 -0.015 0.000 1.135 376 G CA 0.783 45.746 45.100 -0.229 0.000 0.767 376 G HN 0.475 nan 8.290 nan 0.000 0.550 377 K N -0.253 120.146 120.400 -0.002 0.000 2.334 377 K HA 0.249 4.569 4.320 -0.000 0.000 0.195 377 K C 2.131 178.838 176.600 0.179 0.000 1.045 377 K CA -0.070 56.306 56.287 0.148 0.000 1.004 377 K CB 0.014 32.584 32.500 0.116 0.000 0.837 377 K HN 0.124 nan 8.250 nan 0.000 0.510 378 V N 1.263 121.205 119.914 0.048 0.000 3.140 378 V HA -0.225 3.895 4.120 -0.000 0.000 0.269 378 V C 1.586 177.794 176.094 0.189 0.000 1.149 378 V CA 1.517 63.810 62.300 -0.011 0.000 1.162 378 V CB -0.732 30.965 31.823 -0.210 0.000 0.756 378 V HN 0.315 nan 8.190 nan 0.000 0.523 379 Y N -1.495 118.868 120.300 0.105 0.000 2.333 379 Y HA 0.023 4.573 4.550 -0.000 0.000 0.287 379 Y C 2.009 178.026 175.900 0.195 0.000 1.149 379 Y CA 0.373 58.553 58.100 0.133 0.000 1.193 379 Y CB -0.488 38.038 38.460 0.109 0.000 1.175 379 Y HN 0.187 nan 8.280 nan 0.000 0.518 380 W N 2.802 124.027 121.300 -0.124 0.000 2.359 380 W HA -0.173 4.487 4.660 -0.000 0.000 0.275 380 W C 1.841 178.263 176.519 -0.161 0.000 1.217 380 W CA 1.996 59.198 57.345 -0.239 0.000 1.196 380 W CB -0.258 29.200 29.460 -0.003 0.000 1.129 380 W HN 0.260 nan 8.180 nan 0.000 0.566 381 D N -1.410 119.053 120.400 0.105 0.000 2.117 381 D HA -0.040 4.600 4.640 -0.000 0.000 0.198 381 D C 1.859 178.091 176.300 -0.113 0.000 0.982 381 D CA 2.140 56.181 54.000 0.067 0.000 0.828 381 D CB -0.074 40.894 40.800 0.280 0.000 0.967 381 D HN 0.228 nan 8.370 nan 0.000 0.464 382 G N -0.679 108.018 108.800 -0.173 0.000 2.456 382 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.208 382 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.208 382 G C -0.061 174.569 174.900 -0.450 0.000 1.004 382 G CA -0.493 44.402 45.100 -0.343 0.000 0.791 382 G HN 0.277 nan 8.290 nan 0.000 0.537 383 H N 0.640 119.762 119.070 0.087 0.000 2.535 383 H HA 0.237 4.793 4.556 -0.000 0.000 0.232 383 H C -1.747 173.650 175.328 0.116 0.000 1.405 383 H CA -0.726 55.394 56.048 0.119 0.000 1.224 383 H CB 1.485 31.361 29.762 0.190 0.000 1.763 383 H HN 0.225 nan 8.280 nan 0.000 0.529 384 P HA -0.145 nan 4.420 nan 0.000 0.221 384 P C 0.695 178.101 177.300 0.178 0.000 1.145 384 P CA 0.374 63.617 63.100 0.238 0.000 0.795 384 P CB 0.476 32.332 31.700 0.260 0.000 0.775 385 L N -0.373 120.940 121.223 0.151 0.000 2.428 385 L HA -0.048 4.292 4.340 -0.000 0.000 0.266 385 L C 1.538 178.456 176.870 0.080 0.000 1.269 385 L CA -0.027 54.875 54.840 0.103 0.000 0.821 385 L CB -1.393 40.724 42.059 0.097 0.000 1.095 385 L HN -0.152 nan 8.230 nan 0.000 0.559 386 L N 1.290 122.537 121.223 0.040 0.000 4.812 386 L HA -0.226 4.114 4.340 -0.000 0.000 0.466 386 L C 0.914 177.790 176.870 0.011 0.000 1.205 386 L CA 0.122 54.968 54.840 0.009 0.000 0.681 386 L CB -0.292 41.753 42.059 -0.023 0.000 1.179 386 L HN 0.471 nan 8.230 nan 0.000 0.647 387 L N 5.383 126.623 121.223 0.029 0.000 2.607 387 L HA 0.165 4.505 4.340 -0.000 0.000 0.228 387 L C -0.696 176.174 176.870 0.000 0.000 1.123 387 L CA 0.403 55.261 54.840 0.030 0.000 0.890 387 L CB -0.493 41.605 42.059 0.065 0.000 1.103 387 L HN 0.267 nan 8.230 nan 0.000 0.468 388 P HA -0.051 nan 4.420 nan 0.000 0.220 388 P C 1.717 178.994 177.300 -0.038 0.000 1.154 388 P CA 1.421 64.510 63.100 -0.019 0.000 0.830 388 P CB 0.061 31.750 31.700 -0.019 0.000 0.803 389 V N -0.826 119.040 119.914 -0.080 0.000 2.370 389 V HA -0.241 3.879 4.120 -0.000 0.000 0.252 389 V C 2.429 178.452 176.094 -0.118 0.000 1.068 389 V CA 2.274 64.474 62.300 -0.167 0.000 1.061 389 V CB -2.238 29.414 31.823 -0.286 0.000 0.656 389 V HN -0.073 nan 8.190 nan 0.000 0.455 390 V N 1.875 121.768 119.914 -0.035 0.000 2.229 390 V HA -0.006 4.114 4.120 -0.000 0.000 0.243 390 V C 2.958 179.085 176.094 0.055 0.000 1.042 390 V CA 2.297 64.631 62.300 0.057 0.000 1.000 390 V CB -1.870 29.925 31.823 -0.046 0.000 0.637 390 V HN 0.589 nan 8.190 nan 0.000 0.446 391 G N 0.204 109.015 108.800 0.018 0.000 2.453 391 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 391 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 391 G C 1.683 176.609 174.900 0.042 0.000 1.201 391 G CA 1.321 46.437 45.100 0.027 0.000 0.784 391 G HN 0.336 nan 8.290 nan 0.000 0.545 392 V N 1.979 121.910 119.914 0.028 0.000 2.453 392 V HA -0.241 3.879 4.120 -0.000 0.000 0.252 392 V C 3.230 179.364 176.094 0.068 0.000 1.068 392 V CA 2.486 64.805 62.300 0.033 0.000 1.070 392 V CB -0.657 31.173 31.823 0.012 0.000 0.664 392 V HN 0.634 nan 8.190 nan 0.000 0.461 393 S N 0.584 116.339 115.700 0.091 0.000 2.341 393 S HA -0.114 4.356 4.470 -0.000 0.000 0.216 393 S C 1.948 176.647 174.600 0.166 0.000 1.034 393 S CA 1.090 59.384 58.200 0.156 0.000 0.964 393 S CB -0.752 62.602 63.200 0.256 0.000 0.882 393 S HN 0.381 nan 8.310 nan 0.000 0.469 394 L N 2.599 123.912 121.223 0.150 0.000 2.030 394 L HA -0.142 4.198 4.340 -0.000 0.000 0.222 394 L C 2.314 179.255 176.870 0.119 0.000 1.082 394 L CA 2.108 57.017 54.840 0.114 0.000 0.785 394 L CB -1.168 40.938 42.059 0.078 0.000 0.895 394 L HN 0.283 nan 8.230 nan 0.000 0.439 395 V N -0.594 119.384 119.914 0.106 0.000 2.283 395 V HA -0.248 3.872 4.120 -0.000 0.000 0.243 395 V C 2.603 178.777 176.094 0.134 0.000 1.039 395 V CA 1.750 64.113 62.300 0.105 0.000 1.016 395 V CB -0.731 31.132 31.823 0.066 0.000 0.650 395 V HN 0.555 nan 8.190 nan 0.000 0.449 396 L N -0.807 120.495 121.223 0.131 0.000 2.351 396 L HA -0.198 4.142 4.340 -0.000 0.000 0.220 396 L C 2.015 179.126 176.870 0.402 0.000 1.127 396 L CA 1.464 56.420 54.840 0.193 0.000 0.786 396 L CB -0.097 42.083 42.059 0.201 0.000 0.914 396 L HN 0.336 nan 8.230 nan 0.000 0.443 397 I N -2.707 118.050 120.570 0.311 0.000 2.726 397 I HA -0.152 4.018 4.170 -0.000 0.000 0.243 397 I C 2.285 178.571 176.117 0.282 0.000 1.082 397 I CA 0.298 61.794 61.300 0.327 0.000 1.447 397 I CB -0.251 37.868 38.000 0.198 0.000 1.250 397 I HN -0.164 nan 8.210 nan 0.000 0.453 398 V N 1.658 121.689 119.914 0.196 0.000 2.311 398 V HA -0.375 3.745 4.120 -0.000 0.000 0.256 398 V C 2.292 178.487 176.094 0.168 0.000 1.077 398 V CA 2.542 64.932 62.300 0.149 0.000 1.067 398 V CB -0.804 31.092 31.823 0.120 0.000 0.659 398 V HN 0.407 nan 8.190 nan 0.000 0.451 399 F N -0.004 119.972 119.950 0.044 0.000 2.039 399 F HA -0.180 4.347 4.527 -0.000 0.000 0.294 399 F C 2.120 177.926 175.800 0.009 0.000 1.130 399 F CA 1.875 59.860 58.000 -0.025 0.000 1.189 399 F CB -0.533 38.385 39.000 -0.137 0.000 0.983 399 F HN 0.104 nan 8.300 nan 0.000 0.471 400 F N 0.390 120.581 119.950 0.402 0.000 2.271 400 F HA -0.280 4.247 4.527 -0.000 0.000 0.302 400 F C 2.348 178.185 175.800 0.062 0.000 1.063 400 F CA 0.902 59.045 58.000 0.239 0.000 1.362 400 F CB -0.612 38.523 39.000 0.226 0.000 1.060 400 F HN 0.176 nan 8.300 nan 0.000 0.521 401 A N -0.082 122.869 122.820 0.218 0.000 1.850 401 A HA -0.163 4.157 4.320 -0.000 0.000 0.212 401 A C 1.841 179.443 177.584 0.031 0.000 1.208 401 A CA 1.500 53.604 52.037 0.113 0.000 0.609 401 A CB -1.031 18.027 19.000 0.097 0.000 0.860 401 A HN 0.346 nan 8.150 nan 0.000 0.448 402 N N -0.388 118.301 118.700 -0.018 0.000 2.258 402 N HA -0.114 4.626 4.740 -0.000 0.000 0.187 402 N C 1.326 176.772 175.510 -0.106 0.000 1.012 402 N CA 1.033 54.045 53.050 -0.063 0.000 0.870 402 N CB -0.123 38.309 38.487 -0.092 0.000 0.977 402 N HN 0.308 nan 8.380 nan 0.000 0.434 403 L N -0.225 120.896 121.223 -0.171 0.000 2.554 403 L HA 0.045 4.385 4.340 -0.000 0.000 0.226 403 L C 1.421 178.246 176.870 -0.076 0.000 1.137 403 L CA 0.537 55.277 54.840 -0.167 0.000 0.863 403 L CB -0.390 41.515 42.059 -0.256 0.000 0.985 403 L HN 0.164 nan 8.230 nan 0.000 0.451 404 V N -0.466 119.440 119.914 -0.014 0.000 2.326 404 V HA 0.030 4.150 4.120 -0.000 0.000 0.238 404 V C 2.546 178.646 176.094 0.010 0.000 1.038 404 V CA 1.485 63.791 62.300 0.010 0.000 1.032 404 V CB -0.949 30.901 31.823 0.045 0.000 0.675 404 V HN 0.439 nan 8.190 nan 0.000 0.467 405 G N -0.286 108.525 108.800 0.019 0.000 2.479 405 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.220 405 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.220 405 G C 1.571 176.500 174.900 0.048 0.000 1.115 405 G CA 1.174 46.291 45.100 0.030 0.000 0.757 405 G HN 0.596 nan 8.290 nan 0.000 0.560 406 A N -0.311 122.531 122.820 0.036 0.000 1.935 406 A HA 0.345 4.665 4.320 -0.000 0.000 0.214 406 A C 2.131 179.798 177.584 0.138 0.000 1.178 406 A CA 0.988 53.073 52.037 0.079 0.000 0.640 406 A CB -0.067 18.940 19.000 0.011 0.000 0.825 406 A HN 0.307 nan 8.150 nan 0.000 0.447 407 M N -0.667 118.942 119.600 0.016 0.000 2.371 407 M HA 0.210 4.690 4.480 -0.000 0.000 0.246 407 M C 1.427 177.784 176.300 0.095 0.000 1.103 407 M CA 0.297 55.584 55.300 -0.021 0.000 1.010 407 M CB 0.108 32.543 32.600 -0.276 0.000 1.457 407 M HN 0.404 nan 8.290 nan 0.000 0.486 408 L N 2.155 123.439 121.223 0.100 0.000 2.049 408 L HA 0.048 4.388 4.340 -0.000 0.000 0.203 408 L C -0.745 176.176 176.870 0.085 0.000 1.074 408 L CA 2.176 57.059 54.840 0.070 0.000 0.749 408 L CB -1.671 40.415 42.059 0.044 0.000 0.907 408 L HN 0.036 nan 8.230 nan 0.000 0.439 409 P HA -0.252 nan 4.420 nan 0.000 0.216 409 P C 1.713 178.971 177.300 -0.069 0.000 1.154 409 P CA 1.890 64.971 63.100 -0.032 0.000 0.865 409 P CB -0.259 31.378 31.700 -0.105 0.000 0.789 410 F N -0.249 119.671 119.950 -0.049 0.000 2.075 410 F HA -0.155 4.372 4.527 -0.000 0.000 0.297 410 F C 2.592 178.320 175.800 -0.119 0.000 1.113 410 F CA 0.945 58.900 58.000 -0.074 0.000 1.218 410 F CB -1.766 37.195 39.000 -0.065 0.000 0.984 410 F HN -0.171 nan 8.300 nan 0.000 0.472 411 L N 0.523 121.802 121.223 0.093 0.000 2.034 411 L HA -0.269 4.071 4.340 -0.000 0.000 0.217 411 L C 2.074 178.925 176.870 -0.032 0.000 1.077 411 L CA 1.845 56.675 54.840 -0.018 0.000 0.769 411 L CB -1.123 40.929 42.059 -0.013 0.000 0.890 411 L HN 0.180 nan 8.230 nan 0.000 0.435 412 L N -1.127 120.084 121.223 -0.020 0.000 2.017 412 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 412 L C 2.735 179.579 176.870 -0.044 0.000 1.073 412 L CA 1.677 56.500 54.840 -0.028 0.000 0.745 412 L CB -0.658 41.387 42.059 -0.023 0.000 0.894 412 L HN 0.305 nan 8.230 nan 0.000 0.432 413 R N 0.607 121.070 120.500 -0.061 0.000 2.152 413 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 413 R C 2.377 178.642 176.300 -0.060 0.000 1.117 413 R CA 1.105 57.164 56.100 -0.069 0.000 0.981 413 R CB -0.031 30.209 30.300 -0.100 0.000 0.870 413 R HN 0.315 nan 8.270 nan 0.000 0.451 414 R N -0.203 120.256 120.500 -0.067 0.000 2.189 414 R HA -0.060 4.280 4.340 -0.000 0.000 0.223 414 R C 1.588 177.848 176.300 -0.066 0.000 1.092 414 R CA 0.757 56.805 56.100 -0.086 0.000 0.989 414 R CB 0.006 30.221 30.300 -0.141 0.000 0.876 414 R HN 0.305 nan 8.270 nan 0.000 0.457 415 L N -0.224 120.967 121.223 -0.054 0.000 2.808 415 L HA 0.236 4.576 4.340 -0.000 0.000 0.246 415 L C 0.097 176.948 176.870 -0.032 0.000 1.153 415 L CA -0.140 54.676 54.840 -0.040 0.000 0.956 415 L CB 0.776 42.814 42.059 -0.035 0.000 1.270 415 L HN 0.342 nan 8.230 nan 0.000 0.528 416 G N 1.576 110.355 108.800 -0.036 0.000 2.502 416 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.273 416 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.273 416 G C -0.511 174.373 174.900 -0.025 0.000 1.021 416 G CA 0.180 45.262 45.100 -0.031 0.000 1.333 416 G HN 0.242 nan 8.290 nan 0.000 0.508 417 V N -1.751 118.146 119.914 -0.029 0.000 2.789 417 V HA 0.500 4.620 4.120 -0.000 0.000 0.300 417 V C -0.072 176.003 176.094 -0.031 0.000 1.184 417 V CA -1.590 60.699 62.300 -0.020 0.000 0.930 417 V CB 1.844 33.665 31.823 -0.004 0.000 1.041 417 V HN 0.334 nan 8.190 nan 0.000 0.430 418 D N 7.282 127.664 120.400 -0.030 0.000 2.536 418 D HA 0.120 4.760 4.640 -0.000 0.000 0.260 418 D C -0.833 175.438 176.300 -0.049 0.000 1.270 418 D CA -0.550 53.424 54.000 -0.045 0.000 0.934 418 D CB 1.286 42.061 40.800 -0.042 0.000 1.129 418 D HN 0.496 nan 8.370 nan 0.000 0.533 419 P HA -0.279 nan 4.420 nan 0.000 0.219 419 P C 1.007 178.265 177.300 -0.070 0.000 1.144 419 P CA 0.952 64.007 63.100 -0.075 0.000 0.806 419 P CB 0.195 31.823 31.700 -0.121 0.000 0.771 420 A N -0.250 122.523 122.820 -0.078 0.000 2.084 420 A HA -0.178 4.142 4.320 -0.000 0.000 0.221 420 A C 2.117 179.634 177.584 -0.113 0.000 1.161 420 A CA 1.234 53.217 52.037 -0.090 0.000 0.653 420 A CB -1.372 17.575 19.000 -0.089 0.000 0.802 420 A HN 0.078 nan 8.150 nan 0.000 0.457 421 L N -0.455 120.714 121.223 -0.089 0.000 2.079 421 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 421 L C 1.274 178.103 176.870 -0.069 0.000 1.081 421 L CA 1.044 55.830 54.840 -0.091 0.000 0.752 421 L CB -1.024 41.056 42.059 0.035 0.000 0.896 421 L HN 0.174 nan 8.230 nan 0.000 0.433 422 V N 1.183 121.085 119.914 -0.019 0.000 2.180 422 V HA 0.017 4.137 4.120 -0.000 0.000 0.238 422 V C 1.286 177.360 176.094 -0.033 0.000 1.337 422 V CA -0.032 62.278 62.300 0.017 0.000 1.338 422 V CB -1.436 30.394 31.823 0.012 0.000 1.431 422 V HN 0.462 nan 8.190 nan 0.000 0.498 423 S N 3.802 119.458 115.700 -0.074 0.000 2.629 423 S HA 0.086 4.556 4.470 -0.000 0.000 0.250 423 S C 1.158 175.737 174.600 -0.035 0.000 1.318 423 S CA 0.183 58.317 58.200 -0.110 0.000 0.970 423 S CB 0.365 63.453 63.200 -0.186 0.000 0.996 423 S HN 0.617 nan 8.310 nan 0.000 0.563 424 N N 1.339 120.019 118.700 -0.034 0.000 2.368 424 N HA 0.130 4.870 4.740 -0.000 0.000 0.178 424 N C -1.216 174.305 175.510 0.017 0.000 1.021 424 N CA 0.575 53.621 53.050 -0.008 0.000 0.875 424 N CB -1.822 36.655 38.487 -0.017 0.000 1.020 424 N HN 0.409 nan 8.380 nan 0.000 0.433 425 P HA -0.043 nan 4.420 nan 0.000 0.219 425 P C 1.702 179.060 177.300 0.096 0.000 1.150 425 P CA 0.472 63.606 63.100 0.057 0.000 0.814 425 P CB 0.094 31.834 31.700 0.067 0.000 0.787 426 L N -1.026 120.280 121.223 0.138 0.000 2.191 426 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 426 L C 1.900 178.825 176.870 0.092 0.000 1.103 426 L CA 1.770 56.714 54.840 0.173 0.000 0.769 426 L CB -0.957 41.252 42.059 0.249 0.000 0.908 426 L HN -0.169 nan 8.230 nan 0.000 0.438 427 V N -0.230 119.723 119.914 0.066 0.000 2.283 427 V HA -0.047 4.073 4.120 -0.000 0.000 0.239 427 V C 2.489 178.605 176.094 0.037 0.000 1.035 427 V CA 1.226 63.552 62.300 0.044 0.000 1.018 427 V CB -0.846 30.996 31.823 0.033 0.000 0.658 427 V HN 0.496 nan 8.190 nan 0.000 0.459 428 A N -0.938 121.902 122.820 0.033 0.000 2.309 428 A HA -0.181 4.139 4.320 -0.000 0.000 0.210 428 A C 2.041 179.640 177.584 0.025 0.000 1.216 428 A CA 2.147 54.200 52.037 0.026 0.000 0.731 428 A CB -0.622 18.392 19.000 0.023 0.000 0.762 428 A HN 0.579 nan 8.150 nan 0.000 0.497 429 T N -1.238 113.334 114.554 0.030 0.000 3.238 429 T HA 0.182 4.532 4.350 -0.000 0.000 0.242 429 T C 1.557 176.267 174.700 0.016 0.000 0.980 429 T CA 0.348 62.461 62.100 0.022 0.000 1.235 429 T CB -0.177 68.708 68.868 0.029 0.000 1.069 429 T HN 0.294 nan 8.240 nan 0.000 0.407 430 L N 1.579 122.815 121.223 0.022 0.000 2.450 430 L HA 0.035 4.375 4.340 -0.000 0.000 0.224 430 L C 2.338 179.217 176.870 0.015 0.000 1.149 430 L CA 0.764 55.613 54.840 0.015 0.000 0.816 430 L CB -0.374 41.698 42.059 0.021 0.000 0.932 430 L HN 0.266 nan 8.230 nan 0.000 0.449 431 S N -1.052 114.660 115.700 0.020 0.000 2.558 431 S HA -0.057 4.413 4.470 -0.000 0.000 0.217 431 S C 1.288 175.895 174.600 0.012 0.000 0.975 431 S CA 0.343 58.557 58.200 0.024 0.000 0.912 431 S CB 0.038 63.256 63.200 0.029 0.000 0.776 431 S HN 0.383 nan 8.310 nan 0.000 0.526 432 D N 0.152 120.553 120.400 0.003 0.000 2.394 432 D HA 0.121 4.761 4.640 -0.000 0.000 0.226 432 D C 1.960 178.249 176.300 -0.018 0.000 0.990 432 D CA 0.534 54.528 54.000 -0.009 0.000 0.902 432 D CB -0.115 40.681 40.800 -0.007 0.000 1.038 432 D HN 0.213 nan 8.370 nan 0.000 0.499 433 V N 1.812 121.717 119.914 -0.015 0.000 2.220 433 V HA -0.262 3.858 4.120 -0.000 0.000 0.242 433 V C 2.821 178.893 176.094 -0.038 0.000 1.041 433 V CA 2.762 65.048 62.300 -0.024 0.000 0.990 433 V CB -1.362 30.451 31.823 -0.018 0.000 0.634 433 V HN 0.315 nan 8.190 nan 0.000 0.452 434 T N -0.763 113.770 114.554 -0.035 0.000 2.788 434 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 434 T C 1.962 176.633 174.700 -0.049 0.000 1.044 434 T CA 1.484 63.549 62.100 -0.057 0.000 1.139 434 T CB -1.104 67.731 68.868 -0.055 0.000 0.867 434 T HN 0.564 nan 8.240 nan 0.000 0.454 435 G N 0.777 109.567 108.800 -0.016 0.000 2.516 435 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.221 435 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.221 435 G C 1.439 176.330 174.900 -0.015 0.000 1.107 435 G CA 0.571 45.671 45.100 0.001 0.000 0.747 435 G HN 0.503 nan 8.290 nan 0.000 0.567 436 L N -0.535 120.665 121.223 -0.037 0.000 2.185 436 L HA 0.216 4.556 4.340 -0.000 0.000 0.198 436 L C 2.795 179.629 176.870 -0.061 0.000 1.079 436 L CA 0.229 55.044 54.840 -0.041 0.000 0.780 436 L CB -0.354 41.671 42.059 -0.056 0.000 0.955 436 L HN 0.142 nan 8.230 nan 0.000 0.462 437 L N 0.136 121.286 121.223 -0.122 0.000 2.171 437 L HA -0.333 4.007 4.340 -0.000 0.000 0.216 437 L C 2.406 179.182 176.870 -0.157 0.000 1.084 437 L CA 1.564 56.284 54.840 -0.200 0.000 0.771 437 L CB -0.671 41.285 42.059 -0.171 0.000 0.890 437 L HN 0.340 nan 8.230 nan 0.000 0.437 438 I N -1.745 118.779 120.570 -0.077 0.000 2.233 438 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 438 I C 2.336 178.481 176.117 0.048 0.000 1.093 438 I CA 1.133 62.417 61.300 -0.025 0.000 1.380 438 I CB -0.352 37.654 38.000 0.011 0.000 1.067 438 I HN 0.101 nan 8.210 nan 0.000 0.413 439 Y N 1.250 121.509 120.300 -0.068 0.000 2.716 439 Y HA -0.102 4.448 4.550 -0.000 0.000 0.302 439 Y C 1.921 177.777 175.900 -0.073 0.000 1.160 439 Y CA 1.037 59.108 58.100 -0.048 0.000 1.362 439 Y CB -0.004 38.438 38.460 -0.032 0.000 0.988 439 Y HN 0.112 nan 8.280 nan 0.000 0.546 440 L N -2.554 118.647 121.223 -0.036 0.000 2.265 440 L HA -0.069 4.271 4.340 -0.000 0.000 0.195 440 L C 2.494 179.310 176.870 -0.090 0.000 1.083 440 L CA 0.925 55.680 54.840 -0.143 0.000 0.798 440 L CB -0.697 41.091 42.059 -0.452 0.000 0.989 440 L HN -0.061 nan 8.230 nan 0.000 0.472 441 S N -0.432 115.216 115.700 -0.086 0.000 2.423 441 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 441 S C 1.493 176.080 174.600 -0.022 0.000 1.014 441 S CA 0.647 58.841 58.200 -0.011 0.000 0.965 441 S CB 0.009 63.205 63.200 -0.007 0.000 0.785 441 S HN 0.162 nan 8.310 nan 0.000 0.495 442 V N 1.062 120.947 119.914 -0.048 0.000 3.602 442 V HA 0.316 4.436 4.120 -0.000 0.000 0.289 442 V C 1.249 177.263 176.094 -0.133 0.000 1.265 442 V CA 0.876 63.139 62.300 -0.062 0.000 1.202 442 V CB -0.424 31.380 31.823 -0.032 0.000 1.012 442 V HN 0.534 nan 8.190 nan 0.000 0.431 443 A N -0.260 122.481 122.820 -0.130 0.000 1.999 443 A HA 0.183 4.503 4.320 -0.000 0.000 0.190 443 A C 2.102 179.644 177.584 -0.069 0.000 1.737 443 A CA 0.404 52.345 52.037 -0.160 0.000 1.257 443 A CB -0.036 18.797 19.000 -0.278 0.000 1.401 443 A HN 0.298 nan 8.150 nan 0.000 0.430 444 R N 0.418 120.909 120.500 -0.015 0.000 2.055 444 R HA 0.144 4.484 4.340 -0.000 0.000 0.228 444 R C 0.138 176.449 176.300 0.018 0.000 1.143 444 R CA 1.147 57.269 56.100 0.036 0.000 0.945 444 R CB -0.357 30.016 30.300 0.122 0.000 0.841 444 R HN 0.378 nan 8.270 nan 0.000 0.429 445 L N 2.616 123.850 121.223 0.018 0.000 2.727 445 L HA 0.185 4.525 4.340 -0.000 0.000 0.237 445 L C 0.165 177.032 176.870 -0.006 0.000 1.370 445 L CA -0.119 54.727 54.840 0.011 0.000 1.248 445 L CB 0.609 42.679 42.059 0.018 0.000 1.556 445 L HN 0.357 nan 8.230 nan 0.000 0.420 446 L N 1.114 122.328 121.223 -0.015 0.000 3.616 446 L HA 0.165 4.505 4.340 -0.000 0.000 0.363 446 L C -0.201 176.653 176.870 -0.026 0.000 1.344 446 L CA 0.461 55.285 54.840 -0.026 0.000 0.997 446 L CB 0.871 42.901 42.059 -0.047 0.000 1.365 446 L HN 0.305 nan 8.230 nan 0.000 0.607 447 L N -0.685 120.529 121.223 -0.016 0.000 3.888 447 L HA 0.381 4.721 4.340 -0.000 0.000 0.369 447 L C 0.179 177.046 176.870 -0.005 0.000 1.200 447 L CA 0.389 55.222 54.840 -0.013 0.000 1.268 447 L CB 0.786 42.835 42.059 -0.016 0.000 1.573 447 L HN 0.215 nan 8.230 nan 0.000 0.632 448 E N 0.000 120.198 120.200 -0.003 0.000 2.725 448 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 448 E CA 0.000 56.399 56.400 -0.001 0.000 0.976 448 E CB 0.000 29.701 29.700 0.001 0.000 0.812 448 E HN 0.000 nan 8.360 nan 0.000 0.440