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 1t5a_1_C DATA FIRST_RESID 13 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSPPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RLNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVEVGS KIYVDDGLIS LQVKQKGADF LVTEVENGGS LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKASDVH EVRKVLGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE MIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQNLIA REAEAAIYHL QLFEELRRLA PITSDPTEAT DATA SEQUENCE AVGAVEASFK CCSGAIIVLT KSGRSAHQVA RYRPRAPIIA VTRNPQTARQ DATA SEQUENCE AHLYRGIFPV LCKDPVQEAW AEDVDLRVNF AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP 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 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.136 176.117 0.032 0.000 1.063 13 I CA 0.000 61.316 61.300 0.027 0.000 1.566 13 I CB 0.000 38.017 38.000 0.028 0.000 1.214 14 Q N 3.574 123.404 119.800 0.049 0.000 3.062 14 Q HA -0.079 4.261 4.340 -0.000 0.000 0.085 14 Q C -1.668 174.361 176.000 0.049 0.000 1.615 14 Q CA 0.857 56.698 55.803 0.064 0.000 0.328 14 Q CB -0.232 28.544 28.738 0.065 0.000 0.592 14 Q HN 0.848 nan 8.270 nan 0.000 0.321 15 T N 4.529 119.116 114.554 0.055 0.000 2.841 15 T HA 0.386 4.736 4.350 -0.000 0.000 0.283 15 T C -0.494 174.240 174.700 0.056 0.000 1.000 15 T CA 0.073 62.201 62.100 0.045 0.000 0.977 15 T CB 1.411 70.302 68.868 0.038 0.000 0.979 15 T HN 0.661 nan 8.240 nan 0.000 0.446 16 Q N 3.281 123.111 119.800 0.051 0.000 2.416 16 Q HA -0.300 4.040 4.340 -0.000 0.000 0.319 16 Q C -0.486 175.572 176.000 0.097 0.000 1.318 16 Q CA 0.479 56.321 55.803 0.065 0.000 0.915 16 Q CB -1.618 27.156 28.738 0.059 0.000 1.184 16 Q HN 0.683 nan 8.270 nan 0.000 0.444 17 Q N -1.783 118.069 119.800 0.088 0.000 2.451 17 Q HA -0.212 4.128 4.340 -0.000 0.000 0.305 17 Q C 0.707 176.803 176.000 0.161 0.000 1.345 17 Q CA 1.450 57.320 55.803 0.112 0.000 0.854 17 Q CB -2.002 26.804 28.738 0.113 0.000 1.162 17 Q HN 0.771 nan 8.270 nan 0.000 0.440 18 L N -0.748 120.559 121.223 0.140 0.000 2.005 18 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 18 L C 2.435 179.402 176.870 0.161 0.000 1.072 18 L CA 1.597 56.517 54.840 0.135 0.000 0.744 18 L CB -0.492 41.624 42.059 0.095 0.000 0.895 18 L HN 0.521 nan 8.230 nan 0.000 0.433 19 H N 0.470 119.583 119.070 0.070 0.000 2.390 19 H HA -0.209 4.347 4.556 -0.000 0.000 0.298 19 H C 2.011 177.399 175.328 0.101 0.000 1.106 19 H CA 1.915 58.004 56.048 0.067 0.000 1.297 19 H CB 0.292 30.081 29.762 0.044 0.000 1.375 19 H HN 0.354 nan 8.280 nan 0.000 0.509 20 A N 0.629 123.647 122.820 0.329 0.000 1.897 20 A HA 0.127 4.447 4.320 -0.000 0.000 0.215 20 A C 2.533 180.426 177.584 0.515 0.000 1.181 20 A CA 1.197 53.451 52.037 0.361 0.000 0.620 20 A CB -0.746 18.346 19.000 0.154 0.000 0.821 20 A HN 0.479 nan 8.150 nan 0.000 0.443 21 A N -1.505 121.529 122.820 0.356 0.000 2.235 21 A HA 0.292 4.612 4.320 -0.000 0.000 0.208 21 A C 1.563 179.204 177.584 0.094 0.000 1.172 21 A CA 1.009 53.171 52.037 0.207 0.000 0.786 21 A CB -0.507 18.616 19.000 0.205 0.000 0.804 21 A HN 0.523 nan 8.150 nan 0.000 0.479 22 M N -0.143 119.530 119.600 0.122 0.000 2.778 22 M HA 0.480 4.960 4.480 -0.000 0.000 0.359 22 M C -0.100 176.235 176.300 0.059 0.000 1.216 22 M CA -0.094 55.230 55.300 0.040 0.000 0.935 22 M CB 0.285 32.883 32.600 -0.004 0.000 1.330 22 M HN 0.301 nan 8.290 nan 0.000 0.516 23 A N -0.290 122.628 122.820 0.164 0.000 2.340 23 A HA 0.393 4.713 4.320 -0.000 0.000 0.331 23 A C 0.354 178.057 177.584 0.197 0.000 1.140 23 A CA -0.639 51.495 52.037 0.162 0.000 0.801 23 A CB 0.805 19.921 19.000 0.194 0.000 1.234 23 A HN 0.447 nan 8.150 nan 0.000 0.469 24 D N 0.534 121.012 120.400 0.131 0.000 2.144 24 D HA -0.065 4.575 4.640 -0.000 0.000 0.199 24 D C 0.659 177.066 176.300 0.180 0.000 0.984 24 D CA 2.165 56.241 54.000 0.127 0.000 0.834 24 D CB 0.166 41.012 40.800 0.076 0.000 0.955 24 D HN 0.729 nan 8.370 nan 0.000 0.465 25 T N -2.733 111.911 114.554 0.150 0.000 2.885 25 T HA 0.253 4.603 4.350 -0.000 0.000 0.285 25 T C 0.835 175.549 174.700 0.024 0.000 1.019 25 T CA -0.882 61.295 62.100 0.129 0.000 1.010 25 T CB 1.664 70.589 68.868 0.095 0.000 1.022 25 T HN -0.051 nan 8.240 nan 0.000 0.466 26 F N 1.007 120.828 119.950 -0.216 0.000 2.120 26 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 26 F C 1.975 177.646 175.800 -0.215 0.000 1.095 26 F CA 1.069 58.800 58.000 -0.448 0.000 1.249 26 F CB -0.008 38.850 39.000 -0.236 0.000 0.995 26 F HN 0.519 nan 8.300 nan 0.000 0.480 27 L N 0.930 122.281 121.223 0.214 0.000 2.083 27 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 27 L C 2.135 179.055 176.870 0.084 0.000 1.083 27 L CA 2.044 56.953 54.840 0.115 0.000 0.752 27 L CB -0.916 41.164 42.059 0.036 0.000 0.899 27 L HN 0.175 nan 8.230 nan 0.000 0.433 28 E N -1.440 118.804 120.200 0.074 0.000 2.107 28 E HA -0.259 4.091 4.350 -0.000 0.000 0.191 28 E C 2.199 178.844 176.600 0.075 0.000 0.982 28 E CA 1.322 57.764 56.400 0.070 0.000 0.809 28 E CB -0.249 29.500 29.700 0.083 0.000 0.756 28 E HN 0.688 nan 8.360 nan 0.000 0.459 29 H N 0.079 119.091 119.070 -0.098 0.000 2.290 29 H HA -0.086 4.470 4.556 -0.000 0.000 0.298 29 H C 1.894 177.174 175.328 -0.081 0.000 1.087 29 H CA 2.539 58.483 56.048 -0.172 0.000 1.291 29 H CB -0.251 29.120 29.762 -0.651 0.000 1.369 29 H HN 0.169 nan 8.280 nan 0.000 0.492 30 M N -0.778 118.756 119.600 -0.111 0.000 2.108 30 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 30 M C 2.530 178.768 176.300 -0.102 0.000 1.066 30 M CA 1.577 56.805 55.300 -0.120 0.000 1.107 30 M CB -0.468 32.168 32.600 0.060 0.000 1.356 30 M HN 0.395 nan 8.290 nan 0.000 0.406 31 C N -0.058 119.216 119.300 -0.043 0.000 2.422 31 C HA -0.092 4.368 4.460 -0.000 0.000 0.286 31 C C 2.459 177.412 174.990 -0.062 0.000 1.412 31 C CA 0.741 59.736 59.018 -0.038 0.000 1.786 31 C CB -1.397 26.339 27.740 -0.007 0.000 1.835 31 C HN 0.461 nan 8.230 nan 0.000 0.533 32 R N -0.059 120.396 120.500 -0.075 0.000 2.312 32 R HA 0.223 4.563 4.340 -0.000 0.000 0.205 32 R C 0.185 176.412 176.300 -0.122 0.000 0.904 32 R CA -0.111 55.936 56.100 -0.087 0.000 1.052 32 R CB -0.037 30.292 30.300 0.048 0.000 1.014 32 R HN 0.470 nan 8.270 nan 0.000 0.503 33 L N 2.393 123.521 121.223 -0.159 0.000 2.628 33 L HA -0.043 4.297 4.340 -0.000 0.000 0.274 33 L C -0.042 176.772 176.870 -0.092 0.000 1.209 33 L CA 0.426 55.183 54.840 -0.140 0.000 0.930 33 L CB -0.032 41.935 42.059 -0.154 0.000 1.183 33 L HN -0.047 nan 8.230 nan 0.000 0.492 34 D N 3.588 123.947 120.400 -0.068 0.000 2.408 34 D HA 0.245 4.885 4.640 -0.000 0.000 0.243 34 D C 0.851 177.129 176.300 -0.036 0.000 1.075 34 D CA -0.544 53.422 54.000 -0.056 0.000 0.832 34 D CB 1.517 42.284 40.800 -0.055 0.000 1.162 34 D HN 0.446 nan 8.370 nan 0.000 0.515 35 I N -0.140 120.410 120.570 -0.034 0.000 2.830 35 I HA 0.056 4.226 4.170 -0.000 0.000 0.263 35 I C 0.367 176.474 176.117 -0.016 0.000 1.230 35 I CA 0.561 61.847 61.300 -0.023 0.000 1.480 35 I CB 0.167 38.154 38.000 -0.023 0.000 1.095 35 I HN 0.012 nan 8.210 nan 0.000 0.455 36 D N 1.326 121.715 120.400 -0.019 0.000 2.325 36 D HA 0.075 4.715 4.640 -0.000 0.000 0.225 36 D C 0.532 176.829 176.300 -0.006 0.000 1.096 36 D CA 0.412 54.405 54.000 -0.012 0.000 0.844 36 D CB 0.362 41.153 40.800 -0.016 0.000 0.925 36 D HN 0.227 nan 8.370 nan 0.000 0.513 37 S N 1.446 117.144 115.700 -0.004 0.000 2.488 37 S HA 0.390 4.860 4.470 -0.000 0.000 0.310 37 S C -2.667 171.941 174.600 0.013 0.000 1.093 37 S CA -1.677 56.529 58.200 0.009 0.000 1.129 37 S CB 0.585 63.793 63.200 0.013 0.000 0.989 37 S HN -0.217 nan 8.310 nan 0.000 0.479 38 P HA 0.191 nan 4.420 nan 0.000 0.266 38 P C -2.447 174.865 177.300 0.019 0.000 1.195 38 P CA -0.875 62.234 63.100 0.014 0.000 0.768 38 P CB 0.154 31.862 31.700 0.013 0.000 0.838 39 P HA 0.220 nan 4.420 nan 0.000 0.280 39 P C 0.103 177.409 177.300 0.010 0.000 1.272 39 P CA -0.490 62.622 63.100 0.019 0.000 0.819 39 P CB 0.720 32.430 31.700 0.017 0.000 1.122 40 I N -1.578 118.992 120.570 0.000 0.000 3.327 40 I HA 0.089 4.259 4.170 -0.000 0.000 0.280 40 I C 1.407 177.510 176.117 -0.024 0.000 1.207 40 I CA -0.100 61.190 61.300 -0.016 0.000 1.280 40 I CB -0.414 37.557 38.000 -0.048 0.000 1.417 40 I HN 0.355 nan 8.210 nan 0.000 0.639 41 T N -0.070 114.472 114.554 -0.021 0.000 3.014 41 T HA 0.265 4.615 4.350 -0.000 0.000 0.263 41 T C 0.954 175.628 174.700 -0.043 0.000 1.078 41 T CA 0.257 62.358 62.100 0.001 0.000 1.135 41 T CB -0.336 68.564 68.868 0.053 0.000 0.895 41 T HN 0.817 nan 8.240 nan 0.000 0.480 42 A N 1.748 124.446 122.820 -0.204 0.000 2.445 42 A HA 0.556 4.876 4.320 -0.000 0.000 0.242 42 A C 0.462 177.926 177.584 -0.201 0.000 1.075 42 A CA -0.574 51.207 52.037 -0.427 0.000 0.777 42 A CB 0.207 18.662 19.000 -0.908 0.000 1.013 42 A HN 0.391 nan 8.150 nan 0.000 0.493 43 R N 2.242 122.667 120.500 -0.125 0.000 2.422 43 R HA 0.188 4.528 4.340 -0.000 0.000 0.307 43 R C -0.553 175.759 176.300 0.020 0.000 1.004 43 R CA -0.569 55.519 56.100 -0.021 0.000 0.882 43 R CB 0.648 30.966 30.300 0.029 0.000 1.164 43 R HN 0.909 nan 8.270 nan 0.000 0.489 44 N N 1.079 119.787 118.700 0.013 0.000 2.300 44 N HA -0.045 4.695 4.740 -0.000 0.000 0.179 44 N C -0.161 175.396 175.510 0.080 0.000 1.016 44 N CA 0.934 54.013 53.050 0.049 0.000 0.876 44 N CB 0.240 38.750 38.487 0.038 0.000 0.979 44 N HN 0.448 nan 8.380 nan 0.000 0.432 45 T N 1.115 115.707 114.554 0.064 0.000 2.779 45 T HA 0.323 4.673 4.350 -0.000 0.000 0.296 45 T C 0.831 175.571 174.700 0.067 0.000 0.938 45 T CA -0.527 61.608 62.100 0.059 0.000 1.119 45 T CB 1.198 70.090 68.868 0.040 0.000 0.891 45 T HN 0.103 nan 8.240 nan 0.000 0.526 46 G N 2.572 111.416 108.800 0.074 0.000 2.491 46 G HA2 0.458 4.418 3.960 -0.000 0.000 0.242 46 G HA3 0.458 4.418 3.960 -0.000 0.000 0.242 46 G C -0.346 174.573 174.900 0.032 0.000 1.266 46 G CA -0.567 44.577 45.100 0.074 0.000 0.844 46 G HN 0.785 nan 8.290 nan 0.000 0.571 47 I N 2.141 122.714 120.570 0.005 0.000 2.382 47 I HA 0.257 4.427 4.170 -0.000 0.000 0.285 47 I C -0.266 175.846 176.117 -0.008 0.000 1.007 47 I CA -0.418 60.882 61.300 -0.001 0.000 1.142 47 I CB 1.560 39.558 38.000 -0.003 0.000 1.289 47 I HN 0.220 nan 8.210 nan 0.000 0.453 48 I N 5.673 126.257 120.570 0.023 0.000 2.315 48 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 48 I C -0.379 175.772 176.117 0.057 0.000 1.006 48 I CA -0.333 61.001 61.300 0.055 0.000 1.265 48 I CB 1.132 39.206 38.000 0.124 0.000 1.387 48 I HN 0.516 nan 8.210 nan 0.000 0.475 49 C N 4.254 123.583 119.300 0.049 0.000 2.303 49 C HA 0.376 4.836 4.460 -0.000 0.000 0.326 49 C C 0.718 175.754 174.990 0.077 0.000 1.285 49 C CA -0.561 58.491 59.018 0.055 0.000 1.675 49 C CB 0.854 28.617 27.740 0.038 0.000 2.289 49 C HN 0.666 nan 8.230 nan 0.000 0.512 50 T N 5.320 119.928 114.554 0.091 0.000 2.761 50 T HA 0.268 4.618 4.350 -0.000 0.000 0.296 50 T C 0.331 175.094 174.700 0.106 0.000 0.934 50 T CA -0.031 62.135 62.100 0.110 0.000 1.091 50 T CB -0.045 68.894 68.868 0.118 0.000 0.896 50 T HN 0.353 nan 8.240 nan 0.000 0.515 51 I N 3.517 124.157 120.570 0.116 0.000 2.395 51 I HA 0.602 4.772 4.170 -0.000 0.000 0.289 51 I C 0.967 177.183 176.117 0.164 0.000 1.023 51 I CA -0.043 61.330 61.300 0.122 0.000 1.350 51 I CB 0.620 38.687 38.000 0.112 0.000 1.409 51 I HN 0.786 nan 8.210 nan 0.000 0.507 52 G N 5.975 114.863 108.800 0.147 0.000 2.682 52 G HA2 0.462 4.422 3.960 -0.000 0.000 0.303 52 G HA3 0.462 4.422 3.960 -0.000 0.000 0.303 52 G C -2.569 172.415 174.900 0.140 0.000 1.341 52 G CA -0.568 44.637 45.100 0.175 0.000 0.784 52 G HN 0.265 nan 8.290 nan 0.000 0.497 53 P HA -0.244 nan 4.420 nan 0.000 0.222 53 P C 1.907 179.243 177.300 0.060 0.000 1.155 53 P CA 2.975 66.136 63.100 0.100 0.000 0.890 53 P CB 0.193 31.937 31.700 0.074 0.000 0.790 54 A N -1.453 121.399 122.820 0.053 0.000 2.167 54 A HA 0.025 4.345 4.320 -0.000 0.000 0.214 54 A C 1.552 179.158 177.584 0.037 0.000 1.151 54 A CA 1.493 53.550 52.037 0.033 0.000 0.735 54 A CB -0.588 18.429 19.000 0.029 0.000 0.802 54 A HN 0.323 nan 8.150 nan 0.000 0.467 55 S N -2.314 113.416 115.700 0.051 0.000 3.073 55 S HA 0.297 4.767 4.470 -0.000 0.000 0.252 55 S C 0.767 175.397 174.600 0.049 0.000 0.953 55 S CA -0.154 58.075 58.200 0.050 0.000 1.105 55 S CB -0.092 63.142 63.200 0.057 0.000 1.070 55 S HN 0.450 nan 8.310 nan 0.000 0.574 56 R N 2.323 122.848 120.500 0.042 0.000 2.223 56 R HA 0.184 4.524 4.340 -0.000 0.000 0.198 56 R C 0.278 176.580 176.300 0.004 0.000 0.984 56 R CA 0.791 56.904 56.100 0.021 0.000 1.018 56 R CB 0.089 30.390 30.300 0.003 0.000 0.945 56 R HN 0.497 nan 8.270 nan 0.000 0.479 57 S N 0.242 115.948 115.700 0.011 0.000 2.466 57 S HA 0.026 4.496 4.470 -0.000 0.000 0.286 57 S C 1.448 176.058 174.600 0.018 0.000 1.221 57 S CA -0.559 57.645 58.200 0.007 0.000 1.091 57 S CB 1.457 64.663 63.200 0.009 0.000 0.956 57 S HN -0.005 nan 8.310 nan 0.000 0.501 58 V N 2.812 122.734 119.914 0.014 0.000 2.357 58 V HA -0.298 3.822 4.120 -0.000 0.000 0.257 58 V C 2.743 178.856 176.094 0.032 0.000 1.082 58 V CA 2.537 64.851 62.300 0.025 0.000 1.078 58 V CB -0.946 30.885 31.823 0.014 0.000 0.663 58 V HN 1.044 nan 8.190 nan 0.000 0.455 59 E N 0.277 120.490 120.200 0.022 0.000 2.031 59 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 59 E C 2.331 178.956 176.600 0.041 0.000 0.994 59 E CA 2.174 58.589 56.400 0.025 0.000 0.800 59 E CB -0.175 29.534 29.700 0.015 0.000 0.752 59 E HN 0.800 nan 8.360 nan 0.000 0.447 60 T N -0.529 114.047 114.554 0.037 0.000 2.942 60 T HA -0.111 4.239 4.350 -0.000 0.000 0.265 60 T C 1.945 176.679 174.700 0.056 0.000 1.062 60 T CA 0.620 62.746 62.100 0.043 0.000 1.139 60 T CB -0.233 68.654 68.868 0.031 0.000 0.883 60 T HN 0.104 nan 8.240 nan 0.000 0.468 61 L N 0.905 122.162 121.223 0.057 0.000 2.353 61 L HA 0.175 4.515 4.340 -0.000 0.000 0.220 61 L C 2.273 179.202 176.870 0.098 0.000 1.133 61 L CA 1.415 56.294 54.840 0.065 0.000 0.798 61 L CB -0.616 41.477 42.059 0.058 0.000 0.922 61 L HN 0.260 nan 8.230 nan 0.000 0.445 62 K N -1.188 119.289 120.400 0.129 0.000 2.186 62 K HA -0.015 4.304 4.320 -0.000 0.000 0.202 62 K C 1.670 178.387 176.600 0.196 0.000 1.052 62 K CA 0.532 56.962 56.287 0.240 0.000 0.965 62 K CB 0.144 32.783 32.500 0.232 0.000 0.746 62 K HN 0.205 nan 8.250 nan 0.000 0.457 63 E N 0.484 120.757 120.200 0.121 0.000 2.285 63 E HA -0.036 4.314 4.350 -0.000 0.000 0.194 63 E C 1.832 178.464 176.600 0.053 0.000 0.997 63 E CA 0.686 57.138 56.400 0.087 0.000 0.845 63 E CB 0.122 29.864 29.700 0.070 0.000 0.782 63 E HN 0.300 nan 8.360 nan 0.000 0.491 64 M N -0.042 119.587 119.600 0.048 0.000 2.156 64 M HA -0.043 4.437 4.480 -0.000 0.000 0.264 64 M C 2.366 178.659 176.300 -0.012 0.000 1.067 64 M CA 1.019 56.333 55.300 0.023 0.000 1.131 64 M CB -0.480 32.136 32.600 0.027 0.000 1.368 64 M HN 0.082 nan 8.290 nan 0.000 0.416 65 I N 0.017 120.570 120.570 -0.029 0.000 2.252 65 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 65 I C 2.411 178.432 176.117 -0.159 0.000 1.102 65 I CA 1.215 62.441 61.300 -0.124 0.000 1.385 65 I CB -0.367 37.521 38.000 -0.187 0.000 1.064 65 I HN 0.288 nan 8.210 nan 0.000 0.414 66 K N 0.536 120.866 120.400 -0.117 0.000 2.002 66 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 66 K C 2.297 178.875 176.600 -0.037 0.000 1.048 66 K CA 1.773 58.009 56.287 -0.086 0.000 0.930 66 K CB -0.235 32.273 32.500 0.012 0.000 0.714 66 K HN 0.138 nan 8.250 nan 0.000 0.438 67 S N -0.925 114.770 115.700 -0.009 0.000 2.419 67 S HA -0.087 4.383 4.470 -0.000 0.000 0.233 67 S C 1.459 176.060 174.600 0.001 0.000 1.016 67 S CA 1.353 59.557 58.200 0.007 0.000 0.974 67 S CB 0.180 63.393 63.200 0.021 0.000 0.786 67 S HN 0.674 nan 8.310 nan 0.000 0.492 68 G N -0.267 108.521 108.800 -0.019 0.000 3.468 68 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.219 68 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.219 68 G C 0.174 175.046 174.900 -0.046 0.000 0.968 68 G CA -0.181 44.909 45.100 -0.017 0.000 0.851 68 G HN 0.344 nan 8.290 nan 0.000 0.524 69 M N 1.520 121.088 119.600 -0.053 0.000 2.240 69 M HA 0.150 4.630 4.480 -0.000 0.000 0.346 69 M C 0.880 177.082 176.300 -0.163 0.000 1.236 69 M CA 1.224 56.478 55.300 -0.077 0.000 0.986 69 M CB 0.318 32.888 32.600 -0.051 0.000 1.786 69 M HN 0.240 nan 8.290 nan 0.000 0.457 70 N N 2.491 121.057 118.700 -0.223 0.000 2.445 70 N HA 0.233 4.973 4.740 -0.000 0.000 0.204 70 N C -1.128 174.125 175.510 -0.429 0.000 1.098 70 N CA -0.019 52.726 53.050 -0.508 0.000 0.859 70 N CB 0.958 39.063 38.487 -0.636 0.000 1.249 70 N HN 0.408 nan 8.380 nan 0.000 0.462 71 V N 0.523 120.325 119.914 -0.187 0.000 2.789 71 V HA 0.797 4.917 4.120 -0.000 0.000 0.311 71 V C -1.035 175.044 176.094 -0.025 0.000 1.073 71 V CA -1.290 60.964 62.300 -0.076 0.000 0.921 71 V CB 1.786 33.621 31.823 0.021 0.000 1.009 71 V HN 0.104 nan 8.190 nan 0.000 0.426 72 A N 4.047 126.856 122.820 -0.018 0.000 2.258 72 A HA 0.748 5.068 4.320 -0.000 0.000 0.316 72 A C -0.175 177.411 177.584 0.004 0.000 1.279 72 A CA -0.575 51.468 52.037 0.010 0.000 0.876 72 A CB 0.553 19.562 19.000 0.015 0.000 1.170 72 A HN 0.829 nan 8.150 nan 0.000 0.520 73 R N 3.002 123.530 120.500 0.048 0.000 2.312 73 R HA 0.580 4.920 4.340 -0.000 0.000 0.311 73 R C -1.425 174.920 176.300 0.075 0.000 1.004 73 R CA -0.438 55.688 56.100 0.044 0.000 0.902 73 R CB 0.545 30.945 30.300 0.167 0.000 1.073 73 R HN 0.716 nan 8.270 nan 0.000 0.457 74 L N 4.421 125.676 121.223 0.053 0.000 2.276 74 L HA 0.264 4.604 4.340 -0.000 0.000 0.286 74 L C -0.100 176.867 176.870 0.162 0.000 1.024 74 L CA -0.783 54.125 54.840 0.112 0.000 0.826 74 L CB 1.362 43.517 42.059 0.160 0.000 1.211 74 L HN 0.579 nan 8.230 nan 0.000 0.422 75 N N 3.058 121.855 118.700 0.161 0.000 2.448 75 N HA 0.044 4.784 4.740 -0.000 0.000 0.250 75 N C 0.224 175.846 175.510 0.186 0.000 1.136 75 N CA -0.025 53.135 53.050 0.184 0.000 0.953 75 N CB 0.311 38.905 38.487 0.179 0.000 1.251 75 N HN 0.326 nan 8.380 nan 0.000 0.502 76 F N 1.007 120.926 119.950 -0.052 0.000 2.754 76 F HA 0.024 4.551 4.527 -0.000 0.000 0.303 76 F C 1.942 177.771 175.800 0.048 0.000 1.196 76 F CA 0.075 58.080 58.000 0.009 0.000 1.416 76 F CB -0.367 38.614 39.000 -0.033 0.000 1.092 76 F HN 0.468 nan 8.300 nan 0.000 0.541 77 S N -1.899 113.845 115.700 0.073 0.000 2.605 77 S HA 0.159 4.629 4.470 -0.000 0.000 0.217 77 S C 0.256 174.638 174.600 -0.364 0.000 0.958 77 S CA 0.017 58.143 58.200 -0.123 0.000 0.919 77 S CB -0.308 62.774 63.200 -0.198 0.000 0.780 77 S HN 0.216 nan 8.310 nan 0.000 0.507 78 H N -0.180 118.929 119.070 0.064 0.000 2.990 78 H HA 0.608 5.164 4.556 -0.000 0.000 0.336 78 H C 0.567 175.810 175.328 -0.142 0.000 1.306 78 H CA -0.149 55.878 56.048 -0.036 0.000 1.118 78 H CB 1.011 30.743 29.762 -0.050 0.000 1.856 78 H HN 0.436 nan 8.280 nan 0.000 0.538 79 G N 0.606 109.286 108.800 -0.200 0.000 2.856 79 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.674 79 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.674 79 G C 0.019 174.637 174.900 -0.469 0.000 1.519 79 G CA -0.054 44.684 45.100 -0.603 0.000 0.940 79 G HN 0.924 nan 8.290 nan 0.000 0.564 80 T N -2.425 111.865 114.554 -0.440 0.000 2.929 80 T HA 0.616 4.966 4.350 -0.000 0.000 0.284 80 T C 1.314 175.883 174.700 -0.219 0.000 1.014 80 T CA 0.384 62.337 62.100 -0.245 0.000 1.051 80 T CB 1.459 70.240 68.868 -0.144 0.000 1.028 80 T HN 0.703 nan 8.240 nan 0.000 0.485 81 H N 0.156 119.018 119.070 -0.345 0.000 2.390 81 H HA -0.132 4.424 4.556 -0.000 0.000 0.298 81 H C 2.082 177.297 175.328 -0.188 0.000 1.106 81 H CA 1.683 57.411 56.048 -0.534 0.000 1.297 81 H CB 0.294 29.684 29.762 -0.619 0.000 1.375 81 H HN 0.781 nan 8.280 nan 0.000 0.509 82 E N 0.384 120.618 120.200 0.056 0.000 2.110 82 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 82 E C 1.887 178.534 176.600 0.077 0.000 0.988 82 E CA 0.841 57.296 56.400 0.091 0.000 0.804 82 E CB -0.032 29.702 29.700 0.055 0.000 0.745 82 E HN 0.479 nan 8.360 nan 0.000 0.458 83 Y N 0.341 120.560 120.300 -0.135 0.000 2.133 83 Y HA -0.205 4.345 4.550 -0.000 0.000 0.287 83 Y C 2.002 177.837 175.900 -0.108 0.000 1.134 83 Y CA 2.287 60.280 58.100 -0.178 0.000 1.133 83 Y CB -0.425 37.830 38.460 -0.341 0.000 0.987 83 Y HN 0.150 nan 8.280 nan 0.000 0.502 84 H N -0.807 118.387 119.070 0.207 0.000 2.353 84 H HA -0.092 4.464 4.556 -0.000 0.000 0.300 84 H C 2.306 177.775 175.328 0.235 0.000 1.090 84 H CA 0.904 57.060 56.048 0.180 0.000 1.327 84 H CB -0.208 29.578 29.762 0.040 0.000 1.383 84 H HN 0.468 nan 8.280 nan 0.000 0.508 85 A N 0.845 123.944 122.820 0.465 0.000 1.978 85 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 85 A C 2.151 179.835 177.584 0.167 0.000 1.170 85 A CA 1.885 54.156 52.037 0.391 0.000 0.636 85 A CB -0.369 18.887 19.000 0.426 0.000 0.810 85 A HN 0.552 nan 8.150 nan 0.000 0.448 86 E N -0.876 119.368 120.200 0.072 0.000 2.107 86 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 86 E C 1.917 178.489 176.600 -0.046 0.000 0.982 86 E CA 1.374 57.760 56.400 -0.025 0.000 0.809 86 E CB -0.039 29.589 29.700 -0.120 0.000 0.756 86 E HN 0.612 nan 8.360 nan 0.000 0.459 87 T N 1.446 115.968 114.554 -0.054 0.000 2.674 87 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 87 T C 1.936 176.671 174.700 0.059 0.000 1.039 87 T CA 1.289 63.383 62.100 -0.011 0.000 1.150 87 T CB -0.233 68.689 68.868 0.090 0.000 0.864 87 T HN 0.169 nan 8.240 nan 0.000 0.427 88 I N 1.135 121.773 120.570 0.114 0.000 2.151 88 I HA -0.250 3.920 4.170 -0.000 0.000 0.243 88 I C 2.682 178.834 176.117 0.059 0.000 1.080 88 I CA 1.520 62.877 61.300 0.094 0.000 1.339 88 I CB -0.406 37.659 38.000 0.109 0.000 1.039 88 I HN 0.233 nan 8.210 nan 0.000 0.409 89 K N 1.083 121.514 120.400 0.052 0.000 2.103 89 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 89 K C 1.775 178.392 176.600 0.029 0.000 1.048 89 K CA 1.999 58.307 56.287 0.035 0.000 0.930 89 K CB -0.038 32.480 32.500 0.029 0.000 0.716 89 K HN 0.251 nan 8.250 nan 0.000 0.444 90 N N -0.035 118.678 118.700 0.022 0.000 2.171 90 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 90 N C 1.615 177.150 175.510 0.040 0.000 1.021 90 N CA 1.016 54.079 53.050 0.021 0.000 0.854 90 N CB -0.081 38.407 38.487 0.003 0.000 0.994 90 N HN -0.055 nan 8.380 nan 0.000 0.426 91 V N 1.389 121.331 119.914 0.046 0.000 2.233 91 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 91 V C 2.148 178.284 176.094 0.070 0.000 1.050 91 V CA 1.726 64.060 62.300 0.056 0.000 1.010 91 V CB -0.439 31.414 31.823 0.050 0.000 0.637 91 V HN 0.305 nan 8.190 nan 0.000 0.444 92 R N -0.366 120.173 120.500 0.065 0.000 2.139 92 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 92 R C 2.314 178.666 176.300 0.087 0.000 1.145 92 R CA 1.923 58.071 56.100 0.079 0.000 0.976 92 R CB -0.793 29.543 30.300 0.059 0.000 0.866 92 R HN 0.540 nan 8.270 nan 0.000 0.449 93 T N 0.807 115.399 114.554 0.064 0.000 2.737 93 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 93 T C 1.990 176.731 174.700 0.068 0.000 1.038 93 T CA 1.399 63.530 62.100 0.052 0.000 1.144 93 T CB -0.206 68.679 68.868 0.029 0.000 0.866 93 T HN 0.395 nan 8.240 nan 0.000 0.434 94 A N 1.146 124.019 122.820 0.089 0.000 1.898 94 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 94 A C 2.558 180.300 177.584 0.264 0.000 1.181 94 A CA 2.012 54.130 52.037 0.135 0.000 0.620 94 A CB -1.263 17.821 19.000 0.139 0.000 0.819 94 A HN 0.442 nan 8.150 nan 0.000 0.442 95 T N 0.147 114.843 114.554 0.237 0.000 2.652 95 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 95 T C 1.741 176.712 174.700 0.451 0.000 1.039 95 T CA 1.605 63.885 62.100 0.301 0.000 1.153 95 T CB -0.258 68.719 68.868 0.182 0.000 0.863 95 T HN 0.488 nan 8.240 nan 0.000 0.428 96 E N 1.525 121.909 120.200 0.306 0.000 2.338 96 E HA -0.051 4.299 4.350 -0.000 0.000 0.197 96 E C 2.432 179.126 176.600 0.157 0.000 1.007 96 E CA 0.793 57.347 56.400 0.258 0.000 0.849 96 E CB -0.549 29.224 29.700 0.122 0.000 0.774 96 E HN 0.650 nan 8.360 nan 0.000 0.506 97 S N -0.156 115.574 115.700 0.049 0.000 2.493 97 S HA -0.116 4.354 4.470 -0.000 0.000 0.243 97 S C 1.499 175.899 174.600 -0.333 0.000 0.991 97 S CA 0.651 58.725 58.200 -0.209 0.000 0.957 97 S CB -0.448 62.516 63.200 -0.394 0.000 0.756 97 S HN 0.171 nan 8.310 nan 0.000 0.521 98 F N 0.878 120.923 119.950 0.158 0.000 2.731 98 F HA 0.553 5.080 4.527 -0.000 0.000 0.298 98 F C 2.380 178.323 175.800 0.238 0.000 1.106 98 F CA -0.109 58.009 58.000 0.195 0.000 1.329 98 F CB -0.373 38.755 39.000 0.213 0.000 1.100 98 F HN 0.245 nan 8.300 nan 0.000 0.592 99 A N 0.145 123.153 122.820 0.312 0.000 2.186 99 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 99 A C 2.069 179.629 177.584 -0.039 0.000 1.159 99 A CA 1.571 53.572 52.037 -0.059 0.000 0.680 99 A CB -1.074 17.777 19.000 -0.247 0.000 0.787 99 A HN 0.331 nan 8.150 nan 0.000 0.467 100 S N -1.149 114.571 115.700 0.032 0.000 2.786 100 S HA 0.131 4.601 4.470 -0.000 0.000 0.223 100 S C 0.059 174.684 174.600 0.042 0.000 0.956 100 S CA 0.482 58.689 58.200 0.012 0.000 0.961 100 S CB -0.123 63.080 63.200 0.004 0.000 0.784 100 S HN 0.398 nan 8.310 nan 0.000 0.519 101 D N 0.470 120.921 120.400 0.085 0.000 2.474 101 D HA 0.309 4.949 4.640 -0.000 0.000 0.234 101 D C -2.568 173.839 176.300 0.177 0.000 1.323 101 D CA -1.624 52.445 54.000 0.116 0.000 0.915 101 D CB 1.357 42.241 40.800 0.139 0.000 1.487 101 D HN -0.132 nan 8.370 nan 0.000 0.524 102 P HA -0.106 nan 4.420 nan 0.000 0.218 102 P C 1.731 179.321 177.300 0.484 0.000 1.146 102 P CA 0.873 64.120 63.100 0.245 0.000 0.820 102 P CB 0.438 32.160 31.700 0.036 0.000 0.778 103 I N -1.558 119.246 120.570 0.391 0.000 2.202 103 I HA -0.171 3.999 4.170 -0.000 0.000 0.242 103 I C 1.764 177.984 176.117 0.172 0.000 1.091 103 I CA 1.162 62.640 61.300 0.297 0.000 1.368 103 I CB -0.406 37.710 38.000 0.194 0.000 1.058 103 I HN -0.078 nan 8.210 nan 0.000 0.410 104 L N -0.322 121.009 121.223 0.180 0.000 2.558 104 L HA -0.003 4.337 4.340 -0.000 0.000 0.225 104 L C 0.685 177.669 176.870 0.190 0.000 1.128 104 L CA 0.457 55.384 54.840 0.146 0.000 0.868 104 L CB -1.315 40.829 42.059 0.141 0.000 1.006 104 L HN 0.197 nan 8.230 nan 0.000 0.454 105 Y N 2.345 122.721 120.300 0.127 0.000 2.620 105 Y HA 0.078 4.628 4.550 -0.000 0.000 0.330 105 Y C 0.488 176.412 175.900 0.041 0.000 1.186 105 Y CA 0.076 58.245 58.100 0.115 0.000 1.467 105 Y CB 0.287 38.836 38.460 0.148 0.000 1.262 105 Y HN 0.005 nan 8.280 nan 0.000 0.550 106 R N 7.824 127.951 120.500 -0.621 0.000 2.371 106 R HA 0.337 4.677 4.340 -0.000 0.000 0.312 106 R C -2.581 173.233 176.300 -0.810 0.000 0.980 106 R CA -1.926 53.824 56.100 -0.584 0.000 0.867 106 R CB 1.163 31.235 30.300 -0.380 0.000 1.163 106 R HN 0.516 nan 8.270 nan 0.000 0.492 107 P HA -0.005 nan 4.420 nan 0.000 0.269 107 P C -0.852 176.383 177.300 -0.109 0.000 1.211 107 P CA -0.142 62.782 63.100 -0.294 0.000 0.781 107 P CB 0.702 32.388 31.700 -0.023 0.000 0.877 108 V N 0.979 120.866 119.914 -0.045 0.000 2.733 108 V HA 0.599 4.719 4.120 -0.000 0.000 0.306 108 V C -0.039 176.056 176.094 0.003 0.000 1.084 108 V CA -0.789 61.464 62.300 -0.079 0.000 0.905 108 V CB 1.818 33.587 31.823 -0.090 0.000 1.010 108 V HN 0.697 nan 8.190 nan 0.000 0.424 109 A N 4.041 126.860 122.820 -0.002 0.000 2.264 109 A HA 0.908 5.228 4.320 -0.000 0.000 0.304 109 A C -0.689 176.886 177.584 -0.015 0.000 1.100 109 A CA -0.562 51.494 52.037 0.031 0.000 0.839 109 A CB 1.471 20.522 19.000 0.085 0.000 1.121 109 A HN 0.768 nan 8.150 nan 0.000 0.496 110 V N 0.723 120.617 119.914 -0.033 0.000 2.444 110 V HA 0.637 4.757 4.120 -0.000 0.000 0.294 110 V C 0.208 176.210 176.094 -0.154 0.000 1.022 110 V CA -0.161 62.100 62.300 -0.065 0.000 0.850 110 V CB 1.160 32.960 31.823 -0.038 0.000 0.992 110 V HN 1.209 nan 8.190 nan 0.000 0.426 111 A N 5.276 127.945 122.820 -0.252 0.000 2.342 111 A HA 0.871 5.190 4.320 -0.000 0.000 0.323 111 A C -0.975 176.322 177.584 -0.478 0.000 1.125 111 A CA -0.560 51.151 52.037 -0.542 0.000 0.785 111 A CB 1.343 19.687 19.000 -1.094 0.000 1.221 111 A HN 0.916 nan 8.150 nan 0.000 0.463 112 L N 2.440 123.368 121.223 -0.492 0.000 2.280 112 L HA 0.427 4.767 4.340 -0.000 0.000 0.287 112 L C -0.839 175.816 176.870 -0.360 0.000 1.023 112 L CA -0.496 54.086 54.840 -0.431 0.000 0.819 112 L CB 0.999 42.728 42.059 -0.549 0.000 1.212 112 L HN 0.710 nan 8.230 nan 0.000 0.420 113 D N 4.572 124.879 120.400 -0.155 0.000 2.443 113 D HA 0.114 4.754 4.640 -0.000 0.000 0.221 113 D C -0.008 176.338 176.300 0.077 0.000 1.097 113 D CA -0.202 53.832 54.000 0.057 0.000 0.865 113 D CB 1.149 42.072 40.800 0.206 0.000 1.034 113 D HN 0.656 nan 8.370 nan 0.000 0.511 114 T N 0.842 115.421 114.554 0.043 0.000 2.906 114 T HA -0.037 4.313 4.350 -0.000 0.000 0.320 114 T C 1.269 176.051 174.700 0.137 0.000 1.088 114 T CA -0.207 61.937 62.100 0.073 0.000 1.120 114 T CB 1.654 70.555 68.868 0.055 0.000 1.000 114 T HN 0.438 nan 8.240 nan 0.000 0.550 115 K N 1.886 122.374 120.400 0.147 0.000 2.103 115 K HA 0.135 4.455 4.320 -0.000 0.000 0.204 115 K C 1.372 178.051 176.600 0.132 0.000 1.052 115 K CA 0.934 57.294 56.287 0.122 0.000 0.945 115 K CB -1.061 31.495 32.500 0.093 0.000 0.722 115 K HN 1.125 nan 8.250 nan 0.000 0.443 116 G N 0.989 109.857 108.800 0.113 0.000 2.641 116 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.254 116 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.254 116 G C -2.432 172.457 174.900 -0.019 0.000 1.315 116 G CA -0.056 45.106 45.100 0.104 0.000 0.907 116 G HN 0.307 nan 8.290 nan 0.000 0.572 117 P HA 0.260 nan 4.420 nan 0.000 0.225 117 P C -0.179 176.777 177.300 -0.573 0.000 1.830 117 P CA 0.181 63.095 63.100 -0.310 0.000 1.051 117 P CB -0.351 31.174 31.700 -0.293 0.000 1.929 118 E N 2.191 122.156 120.200 -0.391 0.000 2.227 118 E HA 0.595 4.945 4.350 -0.000 0.000 0.268 118 E C -0.607 175.847 176.600 -0.242 0.000 0.990 118 E CA -1.202 54.962 56.400 -0.393 0.000 0.856 118 E CB 1.428 31.029 29.700 -0.165 0.000 1.159 118 E HN 0.160 nan 8.360 nan 0.000 0.401 119 I N 1.179 121.631 120.570 -0.197 0.000 2.441 119 I HA 0.458 4.628 4.170 -0.000 0.000 0.295 119 I C 0.065 176.155 176.117 -0.045 0.000 0.994 119 I CA -0.819 60.411 61.300 -0.116 0.000 1.144 119 I CB 1.398 39.340 38.000 -0.097 0.000 1.314 119 I HN 0.419 nan 8.210 nan 0.000 0.445 120 R N 2.559 123.041 120.500 -0.030 0.000 2.774 120 R HA 0.535 4.874 4.340 -0.000 0.000 0.272 120 R C -0.570 175.748 176.300 0.029 0.000 1.000 120 R CA -0.861 55.255 56.100 0.025 0.000 0.906 120 R CB 2.316 32.656 30.300 0.066 0.000 1.227 120 R HN 0.720 nan 8.270 nan 0.000 0.468 121 T N -1.549 113.056 114.554 0.086 0.000 2.814 121 T HA 0.496 4.846 4.350 -0.000 0.000 0.284 121 T C 0.847 175.719 174.700 0.288 0.000 0.998 121 T CA -0.350 61.835 62.100 0.142 0.000 0.935 121 T CB 1.170 70.114 68.868 0.126 0.000 1.167 121 T HN 0.601 nan 8.240 nan 0.000 0.545 122 G N -0.581 108.468 108.800 0.416 0.000 2.630 122 G HA2 0.575 4.535 3.960 -0.000 0.000 0.223 122 G HA3 0.575 4.535 3.960 -0.000 0.000 0.223 122 G C -0.612 174.399 174.900 0.185 0.000 1.434 122 G CA -1.212 44.129 45.100 0.402 0.000 1.057 122 G HN 0.788 nan 8.290 nan 0.000 0.570 123 L N 0.628 121.912 121.223 0.101 0.000 2.334 123 L HA 0.348 4.688 4.340 -0.000 0.000 0.277 123 L C -0.115 176.782 176.870 0.045 0.000 1.075 123 L CA -0.828 54.045 54.840 0.055 0.000 0.804 123 L CB 1.490 43.558 42.059 0.016 0.000 1.174 123 L HN 0.187 nan 8.230 nan 0.000 0.438 124 I N 2.721 123.312 120.570 0.034 0.000 2.474 124 I HA 0.028 4.198 4.170 -0.000 0.000 0.287 124 I C 0.934 177.054 176.117 0.006 0.000 1.048 124 I CA -0.173 61.139 61.300 0.021 0.000 1.383 124 I CB 0.862 38.873 38.000 0.020 0.000 1.412 124 I HN 0.656 nan 8.210 nan 0.000 0.531 125 K N 4.784 125.182 120.400 -0.004 0.000 3.333 125 K HA -0.306 4.014 4.320 -0.000 0.000 0.267 125 K C 1.254 177.849 176.600 -0.008 0.000 0.863 125 K CA 0.538 56.818 56.287 -0.011 0.000 0.646 125 K CB -1.485 31.008 32.500 -0.011 0.000 1.499 125 K HN 1.131 nan 8.250 nan 0.000 0.461 126 G N -0.209 108.587 108.800 -0.006 0.000 3.718 126 G HA2 -0.471 3.489 3.960 -0.000 0.000 0.224 126 G HA3 -0.471 3.489 3.960 -0.000 0.000 0.224 126 G C 0.391 175.286 174.900 -0.009 0.000 1.328 126 G CA 0.531 45.625 45.100 -0.009 0.000 0.974 126 G HN 0.634 nan 8.290 nan 0.000 0.579 127 S N 1.764 117.460 115.700 -0.007 0.000 2.553 127 S HA 0.326 4.796 4.470 -0.000 0.000 0.293 127 S C 1.925 176.522 174.600 -0.005 0.000 1.296 127 S CA 0.885 59.081 58.200 -0.007 0.000 1.046 127 S CB 0.583 63.780 63.200 -0.005 0.000 0.810 127 S HN 1.641 nan 8.310 nan 0.000 0.505 128 G N 2.151 110.946 108.800 -0.008 0.000 2.459 128 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 128 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 128 G C 1.059 175.955 174.900 -0.006 0.000 1.183 128 G CA 1.257 46.351 45.100 -0.009 0.000 0.776 128 G HN 0.994 nan 8.290 nan 0.000 0.552 129 T N -1.871 112.680 114.554 -0.006 0.000 3.269 129 T HA 0.711 5.061 4.350 -0.000 0.000 0.269 129 T C 0.487 175.188 174.700 0.001 0.000 0.993 129 T CA 0.225 62.323 62.100 -0.003 0.000 0.909 129 T CB 0.608 69.472 68.868 -0.006 0.000 1.115 129 T HN 0.407 nan 8.240 nan 0.000 0.543 130 A N 1.340 124.161 122.820 0.002 0.000 2.371 130 A HA 0.594 4.914 4.320 -0.000 0.000 0.257 130 A C 0.086 177.674 177.584 0.007 0.000 1.089 130 A CA -0.556 51.483 52.037 0.003 0.000 0.794 130 A CB 0.346 19.347 19.000 0.001 0.000 1.029 130 A HN 0.629 nan 8.150 nan 0.000 0.488 131 E N 1.598 121.802 120.200 0.007 0.000 2.316 131 E HA 0.386 4.736 4.350 -0.000 0.000 0.254 131 E C -0.559 176.046 176.600 0.008 0.000 0.902 131 E CA -0.604 55.802 56.400 0.011 0.000 0.801 131 E CB 1.685 31.393 29.700 0.012 0.000 1.270 131 E HN 0.437 nan 8.360 nan 0.000 0.414 132 V N 1.910 121.829 119.914 0.008 0.000 3.898 132 V HA 0.151 4.271 4.120 -0.000 0.000 0.270 132 V C 0.401 176.498 176.094 0.006 0.000 0.952 132 V CA 0.105 62.407 62.300 0.003 0.000 0.958 132 V CB 0.609 32.432 31.823 0.000 0.000 1.230 132 V HN 0.750 nan 8.190 nan 0.000 0.425 133 E N 0.029 120.231 120.200 0.003 0.000 2.531 133 E HA 0.298 4.648 4.350 -0.000 0.000 0.323 133 E C -2.006 174.595 176.600 0.002 0.000 0.908 133 E CA -0.574 55.829 56.400 0.005 0.000 0.792 133 E CB 1.163 30.866 29.700 0.005 0.000 1.360 133 E HN 0.388 nan 8.360 nan 0.000 0.394 134 L N 2.758 123.983 121.223 0.004 0.000 2.466 134 L HA 0.465 4.805 4.340 -0.000 0.000 0.257 134 L C 0.090 176.961 176.870 0.001 0.000 1.189 134 L CA 0.178 55.018 54.840 0.001 0.000 0.813 134 L CB 0.491 42.550 42.059 0.000 0.000 1.118 134 L HN 0.425 nan 8.230 nan 0.000 0.471 135 K N 0.240 120.639 120.400 -0.002 0.000 2.464 135 K HA 0.343 4.663 4.320 -0.000 0.000 0.253 135 K C -1.063 175.535 176.600 -0.003 0.000 0.933 135 K CA -1.046 55.240 56.287 -0.001 0.000 0.801 135 K CB 1.982 34.481 32.500 -0.001 0.000 1.271 135 K HN 0.319 nan 8.250 nan 0.000 0.430 136 K N 0.819 121.217 120.400 -0.002 0.000 2.550 136 K HA -0.058 4.262 4.320 -0.000 0.000 0.280 136 K C 0.801 177.399 176.600 -0.005 0.000 0.987 136 K CA 1.857 58.141 56.287 -0.004 0.000 1.048 136 K CB 0.008 32.507 32.500 -0.002 0.000 0.879 136 K HN 0.779 nan 8.250 nan 0.000 0.491 137 G N 2.276 111.072 108.800 -0.007 0.000 2.383 137 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.229 137 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.229 137 G C 0.273 175.170 174.900 -0.004 0.000 1.089 137 G CA 0.106 45.203 45.100 -0.005 0.000 0.640 137 G HN 1.022 nan 8.290 nan 0.000 0.510 138 A N 0.875 123.693 122.820 -0.004 0.000 2.547 138 A HA 0.554 4.874 4.320 -0.000 0.000 0.233 138 A C 1.033 178.616 177.584 -0.003 0.000 1.067 138 A CA 1.807 53.842 52.037 -0.004 0.000 0.763 138 A CB -0.038 18.959 19.000 -0.004 0.000 1.007 138 A HN 2.000 nan 8.150 nan 0.000 0.506 139 T N -0.969 113.585 114.554 0.000 0.000 2.943 139 T HA 0.655 5.004 4.350 -0.000 0.000 0.284 139 T C -0.610 174.093 174.700 0.005 0.000 1.015 139 T CA -0.656 61.447 62.100 0.005 0.000 1.042 139 T CB 1.212 70.087 68.868 0.013 0.000 1.055 139 T HN 0.992 nan 8.240 nan 0.000 0.500 140 L N 0.818 122.049 121.223 0.013 0.000 2.464 140 L HA 0.606 4.946 4.340 -0.000 0.000 0.266 140 L C -0.769 176.125 176.870 0.039 0.000 0.965 140 L CA -0.665 54.184 54.840 0.015 0.000 0.833 140 L CB 2.162 44.226 42.059 0.008 0.000 1.296 140 L HN 0.932 nan 8.230 nan 0.000 0.405 141 K N 5.310 125.739 120.400 0.049 0.000 2.213 141 K HA 0.572 4.892 4.320 -0.000 0.000 0.270 141 K C -1.149 175.517 176.600 0.109 0.000 1.002 141 K CA -0.475 55.875 56.287 0.105 0.000 0.868 141 K CB 0.956 33.508 32.500 0.087 0.000 1.093 141 K HN 0.687 nan 8.250 nan 0.000 0.454 142 I N 4.256 124.910 120.570 0.140 0.000 2.315 142 I HA 0.142 4.312 4.170 -0.000 0.000 0.291 142 I C -0.302 175.927 176.117 0.186 0.000 1.006 142 I CA -0.348 61.022 61.300 0.117 0.000 1.265 142 I CB 1.746 39.782 38.000 0.059 0.000 1.387 142 I HN 0.676 nan 8.210 nan 0.000 0.475 143 T N 6.755 121.432 114.554 0.205 0.000 2.888 143 T HA 0.396 4.746 4.350 -0.000 0.000 0.284 143 T C 0.478 175.323 174.700 0.242 0.000 1.017 143 T CA -0.519 61.751 62.100 0.283 0.000 1.022 143 T CB 2.421 71.535 68.868 0.410 0.000 1.013 143 T HN 0.257 nan 8.240 nan 0.000 0.465 144 L N 0.991 122.349 121.223 0.225 0.000 2.731 144 L HA 0.286 4.626 4.340 -0.000 0.000 0.240 144 L C 0.762 177.887 176.870 0.425 0.000 1.120 144 L CA 0.154 55.090 54.840 0.159 0.000 0.913 144 L CB -0.336 41.749 42.059 0.044 0.000 1.213 144 L HN 0.691 nan 8.230 nan 0.000 0.515 145 D N -0.040 120.573 120.400 0.354 0.000 2.356 145 D HA -0.081 4.559 4.640 -0.000 0.000 0.272 145 D C 1.240 177.626 176.300 0.143 0.000 1.337 145 D CA 0.335 54.446 54.000 0.185 0.000 0.970 145 D CB 0.241 41.053 40.800 0.020 0.000 1.092 145 D HN 0.062 nan 8.370 nan 0.000 0.516 146 N N 3.495 122.270 118.700 0.125 0.000 2.396 146 N HA -0.261 4.479 4.740 -0.000 0.000 0.191 146 N C 1.484 176.779 175.510 -0.358 0.000 1.015 146 N CA 1.040 53.987 53.050 -0.171 0.000 0.893 146 N CB -0.048 38.407 38.487 -0.052 0.000 0.956 146 N HN 0.608 nan 8.380 nan 0.000 0.445 147 A N 0.154 122.798 122.820 -0.293 0.000 2.019 147 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 147 A C 1.488 178.897 177.584 -0.292 0.000 1.164 147 A CA 0.958 52.792 52.037 -0.339 0.000 0.644 147 A CB -0.613 18.111 19.000 -0.459 0.000 0.805 147 A HN 0.450 nan 8.150 nan 0.000 0.449 148 Y N -0.202 119.971 120.300 -0.213 0.000 2.457 148 Y HA 0.085 4.635 4.550 -0.000 0.000 0.263 148 Y C 2.239 177.944 175.900 -0.324 0.000 1.164 148 Y CA 0.075 58.070 58.100 -0.175 0.000 1.274 148 Y CB -0.211 38.241 38.460 -0.013 0.000 1.097 148 Y HN 0.465 nan 8.280 nan 0.000 0.523 149 M N -0.622 118.589 119.600 -0.648 0.000 2.530 149 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 149 M C 0.149 176.247 176.300 -0.337 0.000 1.067 149 M CA 1.888 56.602 55.300 -0.977 0.000 1.071 149 M CB -0.159 31.366 32.600 -1.792 0.000 1.405 149 M HN 0.168 nan 8.290 nan 0.000 0.478 150 E N 0.670 120.760 120.200 -0.183 0.000 2.810 150 E HA 0.197 4.547 4.350 -0.000 0.000 0.214 150 E C -0.413 176.174 176.600 -0.021 0.000 0.980 150 E CA -0.074 56.279 56.400 -0.080 0.000 1.159 150 E CB 0.689 30.334 29.700 -0.091 0.000 1.047 150 E HN 0.561 nan 8.360 nan 0.000 0.484 151 K N 0.744 121.151 120.400 0.012 0.000 3.084 151 K HA 0.283 4.603 4.320 -0.000 0.000 0.210 151 K C -0.619 175.964 176.600 -0.028 0.000 1.137 151 K CA -0.275 56.022 56.287 0.016 0.000 1.010 151 K CB 0.615 33.172 32.500 0.095 0.000 0.806 151 K HN -0.018 nan 8.250 nan 0.000 0.460 152 C N 2.615 121.921 119.300 0.011 0.000 2.585 152 C HA 0.271 4.731 4.460 -0.000 0.000 0.406 152 C C 0.276 175.254 174.990 -0.019 0.000 1.312 152 C CA -0.166 58.860 59.018 0.013 0.000 1.924 152 C CB -0.681 27.108 27.740 0.081 0.000 2.578 152 C HN 0.723 nan 8.230 nan 0.000 0.580 153 D N 0.258 120.631 120.400 -0.045 0.000 2.639 153 D HA 0.167 4.807 4.640 -0.000 0.000 0.271 153 D C 0.662 176.937 176.300 -0.040 0.000 1.254 153 D CA -0.607 53.368 54.000 -0.043 0.000 0.810 153 D CB 0.338 41.100 40.800 -0.063 0.000 1.351 153 D HN 0.496 nan 8.370 nan 0.000 0.427 154 E N 0.383 120.565 120.200 -0.029 0.000 2.461 154 E HA -0.325 4.025 4.350 -0.000 0.000 0.210 154 E C -0.133 176.450 176.600 -0.029 0.000 1.079 154 E CA 1.663 58.049 56.400 -0.022 0.000 0.880 154 E CB -0.651 29.038 29.700 -0.019 0.000 0.799 154 E HN 0.562 nan 8.360 nan 0.000 0.548 155 N N -0.061 118.609 118.700 -0.050 0.000 2.474 155 N HA 0.226 4.966 4.740 -0.000 0.000 0.224 155 N C 0.232 175.704 175.510 -0.064 0.000 1.092 155 N CA 0.271 53.289 53.050 -0.053 0.000 0.844 155 N CB 0.716 39.163 38.487 -0.067 0.000 1.381 155 N HN 0.190 nan 8.380 nan 0.000 0.458 156 I N -0.181 120.322 120.570 -0.111 0.000 2.406 156 I HA 0.565 4.735 4.170 -0.000 0.000 0.290 156 I C -1.382 174.718 176.117 -0.029 0.000 0.999 156 I CA -1.152 60.081 61.300 -0.112 0.000 1.124 156 I CB 1.855 39.642 38.000 -0.354 0.000 1.289 156 I HN -0.197 nan 8.210 nan 0.000 0.441 157 L N 6.235 127.493 121.223 0.059 0.000 2.385 157 L HA 0.611 4.951 4.340 -0.000 0.000 0.273 157 L C -1.369 175.622 176.870 0.202 0.000 0.990 157 L CA -0.147 54.759 54.840 0.110 0.000 0.821 157 L CB 1.917 44.017 42.059 0.069 0.000 1.279 157 L HN 0.779 nan 8.230 nan 0.000 0.412 158 W N 6.084 127.420 121.300 0.060 0.000 2.516 158 W HA 0.768 5.428 4.660 -0.000 0.000 0.343 158 W C -1.629 174.934 176.519 0.073 0.000 1.094 158 W CA -0.571 56.825 57.345 0.085 0.000 1.250 158 W CB 1.171 30.692 29.460 0.102 0.000 1.308 158 W HN 0.418 nan 8.180 nan 0.000 0.588 159 L N 4.225 124.857 121.223 -0.987 0.000 2.376 159 L HA 0.277 4.617 4.340 -0.000 0.000 0.258 159 L C 0.447 176.540 176.870 -1.295 0.000 1.013 159 L CA -0.925 53.427 54.840 -0.814 0.000 0.822 159 L CB 2.338 44.173 42.059 -0.374 0.000 1.388 159 L HN 0.470 nan 8.230 nan 0.000 0.413 160 D N -0.148 119.835 120.400 -0.694 0.000 2.120 160 D HA -0.134 4.506 4.640 -0.000 0.000 0.202 160 D C 0.510 176.694 176.300 -0.192 0.000 0.972 160 D CA 1.268 55.008 54.000 -0.433 0.000 0.837 160 D CB 0.070 40.791 40.800 -0.133 0.000 0.989 160 D HN 0.306 nan 8.370 nan 0.000 0.469 161 Y N 3.072 123.214 120.300 -0.263 0.000 2.828 161 Y HA -0.054 4.496 4.550 -0.000 0.000 0.359 161 Y C 1.222 177.016 175.900 -0.178 0.000 1.258 161 Y CA -0.202 57.792 58.100 -0.177 0.000 1.652 161 Y CB -0.079 38.292 38.460 -0.149 0.000 1.232 161 Y HN -0.171 nan 8.280 nan 0.000 0.513 162 K N 3.008 123.309 120.400 -0.165 0.000 2.262 162 K HA -0.054 4.266 4.320 -0.000 0.000 0.200 162 K C 1.348 177.730 176.600 -0.364 0.000 1.049 162 K CA 0.414 56.565 56.287 -0.227 0.000 0.979 162 K CB 0.221 32.673 32.500 -0.079 0.000 0.773 162 K HN 0.486 nan 8.250 nan 0.000 0.474 163 N N 2.114 120.484 118.700 -0.549 0.000 2.501 163 N HA -0.038 4.702 4.740 -0.000 0.000 0.195 163 N C 1.322 176.334 175.510 -0.829 0.000 1.213 163 N CA 0.085 52.819 53.050 -0.526 0.000 0.864 163 N CB 0.099 38.425 38.487 -0.268 0.000 0.999 163 N HN 0.253 nan 8.380 nan 0.000 0.454 164 I N 0.100 120.029 120.570 -1.069 0.000 2.118 164 I HA -0.379 3.791 4.170 -0.000 0.000 0.241 164 I C 1.713 177.652 176.117 -0.297 0.000 1.070 164 I CA 1.395 62.265 61.300 -0.717 0.000 1.327 164 I CB -0.170 37.598 38.000 -0.387 0.000 1.034 164 I HN 0.146 nan 8.210 nan 0.000 0.405 165 C N 1.062 120.222 119.300 -0.234 0.000 2.409 165 C HA -0.145 4.315 4.460 -0.000 0.000 0.284 165 C C 2.446 177.362 174.990 -0.123 0.000 1.354 165 C CA 1.037 59.962 59.018 -0.154 0.000 1.787 165 C CB -1.437 26.215 27.740 -0.148 0.000 1.900 165 C HN 0.499 nan 8.230 nan 0.000 0.520 166 K N 0.677 120.996 120.400 -0.136 0.000 2.418 166 K HA 0.018 4.338 4.320 -0.000 0.000 0.195 166 K C 1.623 178.193 176.600 -0.049 0.000 1.035 166 K CA 1.072 57.307 56.287 -0.087 0.000 1.003 166 K CB 0.070 32.519 32.500 -0.085 0.000 0.793 166 K HN 0.602 nan 8.250 nan 0.000 0.494 167 V N -3.287 116.603 119.914 -0.040 0.000 3.572 167 V HA 0.183 4.303 4.120 -0.000 0.000 0.260 167 V C 0.578 176.686 176.094 0.024 0.000 1.324 167 V CA -0.525 61.788 62.300 0.022 0.000 1.068 167 V CB 0.544 32.431 31.823 0.107 0.000 0.837 167 V HN -0.036 nan 8.190 nan 0.000 0.450 168 V N 2.121 122.037 119.914 0.003 0.000 2.567 168 V HA 0.557 4.677 4.120 -0.000 0.000 0.289 168 V C -0.153 175.931 176.094 -0.016 0.000 1.049 168 V CA -0.166 62.138 62.300 0.006 0.000 0.969 168 V CB 1.498 33.322 31.823 0.002 0.000 0.995 168 V HN 0.549 nan 8.190 nan 0.000 0.471 169 E N 3.510 123.706 120.200 -0.008 0.000 2.281 169 E HA 0.438 4.788 4.350 -0.000 0.000 0.257 169 E C -0.908 175.680 176.600 -0.021 0.000 0.971 169 E CA -0.748 55.642 56.400 -0.017 0.000 0.839 169 E CB 1.975 31.670 29.700 -0.007 0.000 1.238 169 E HN 0.526 nan 8.360 nan 0.000 0.412 170 V N 0.965 120.864 119.914 -0.025 0.000 2.479 170 V HA 0.336 4.456 4.120 -0.000 0.000 0.281 170 V C 1.240 177.325 176.094 -0.014 0.000 1.031 170 V CA 1.610 63.895 62.300 -0.026 0.000 1.038 170 V CB 0.279 32.085 31.823 -0.029 0.000 0.981 170 V HN 0.994 nan 8.190 nan 0.000 0.478 171 G N 3.756 112.548 108.800 -0.014 0.000 2.201 171 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.212 171 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.212 171 G C 0.382 175.281 174.900 -0.002 0.000 0.994 171 G CA 0.073 45.169 45.100 -0.007 0.000 0.644 171 G HN 0.688 nan 8.290 nan 0.000 0.508 172 S N 0.255 115.954 115.700 -0.002 0.000 2.600 172 S HA 0.610 5.080 4.470 -0.000 0.000 0.265 172 S C 0.260 174.856 174.600 -0.007 0.000 1.325 172 S CA 0.153 58.359 58.200 0.011 0.000 1.002 172 S CB 1.267 64.477 63.200 0.017 0.000 0.921 172 S HN 0.369 nan 8.310 nan 0.000 0.554 173 K N 1.045 121.451 120.400 0.011 0.000 2.207 173 K HA 0.625 4.945 4.320 -0.000 0.000 0.255 173 K C -0.913 175.651 176.600 -0.061 0.000 0.941 173 K CA -0.157 56.083 56.287 -0.077 0.000 0.825 173 K CB 1.035 33.498 32.500 -0.060 0.000 1.119 173 K HN 0.433 nan 8.250 nan 0.000 0.430 174 I N 3.423 123.873 120.570 -0.201 0.000 2.466 174 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 174 I C -1.066 174.922 176.117 -0.215 0.000 1.026 174 I CA -0.947 60.308 61.300 -0.074 0.000 1.078 174 I CB 1.264 39.241 38.000 -0.038 0.000 1.249 174 I HN 0.496 nan 8.210 nan 0.000 0.429 175 Y N 4.832 125.149 120.300 0.027 0.000 2.409 175 Y HA 0.673 5.223 4.550 -0.000 0.000 0.339 175 Y C -0.186 175.733 175.900 0.031 0.000 1.033 175 Y CA -0.936 57.181 58.100 0.029 0.000 1.094 175 Y CB 2.116 40.594 38.460 0.030 0.000 1.210 175 Y HN 0.126 nan 8.280 nan 0.000 0.456 176 V N 1.722 121.734 119.914 0.162 0.000 2.709 176 V HA 0.298 4.418 4.120 -0.000 0.000 0.308 176 V C -0.927 175.231 176.094 0.108 0.000 1.062 176 V CA -1.226 61.141 62.300 0.111 0.000 0.901 176 V CB 1.716 33.580 31.823 0.068 0.000 1.003 176 V HN 0.880 nan 8.190 nan 0.000 0.425 177 D N 3.430 123.888 120.400 0.097 0.000 3.437 177 D HA -0.182 4.458 4.640 -0.000 0.000 0.243 177 D C 0.098 176.451 176.300 0.088 0.000 1.104 177 D CA 1.254 55.306 54.000 0.087 0.000 1.009 177 D CB -0.883 39.961 40.800 0.073 0.000 0.937 177 D HN 1.060 nan 8.370 nan 0.000 0.417 178 D N 1.575 122.027 120.400 0.086 0.000 2.803 178 D HA -0.121 4.519 4.640 -0.000 0.000 0.233 178 D C 1.210 177.555 176.300 0.073 0.000 1.182 178 D CA 2.399 56.440 54.000 0.068 0.000 0.726 178 D CB -1.027 39.806 40.800 0.054 0.000 0.987 178 D HN 1.219 nan 8.370 nan 0.000 0.412 179 G N 0.289 109.154 108.800 0.109 0.000 2.393 179 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.304 179 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.304 179 G C 1.188 176.214 174.900 0.210 0.000 0.977 179 G CA 0.786 45.992 45.100 0.177 0.000 0.803 179 G HN 0.593 nan 8.290 nan 0.000 0.511 180 L N -0.931 120.379 121.223 0.145 0.000 2.162 180 L HA 0.203 4.543 4.340 -0.000 0.000 0.205 180 L C 1.048 177.981 176.870 0.105 0.000 1.086 180 L CA 0.490 55.396 54.840 0.109 0.000 0.778 180 L CB -0.119 41.984 42.059 0.074 0.000 0.928 180 L HN 0.187 nan 8.230 nan 0.000 0.446 181 I N 0.128 120.759 120.570 0.101 0.000 2.362 181 I HA 0.206 4.376 4.170 -0.000 0.000 0.289 181 I C 0.227 176.346 176.117 0.004 0.000 0.994 181 I CA -0.156 61.173 61.300 0.048 0.000 1.158 181 I CB 1.107 39.127 38.000 0.033 0.000 1.315 181 I HN -0.012 nan 8.210 nan 0.000 0.451 182 S N 7.537 123.186 115.700 -0.084 0.000 2.578 182 S HA 0.912 5.382 4.470 -0.000 0.000 0.301 182 S C -0.715 173.739 174.600 -0.244 0.000 1.091 182 S CA -0.703 57.294 58.200 -0.338 0.000 1.032 182 S CB 2.244 65.178 63.200 -0.442 0.000 1.064 182 S HN 0.493 nan 8.310 nan 0.000 0.508 183 L N 1.215 122.263 121.223 -0.292 0.000 2.350 183 L HA 0.638 4.978 4.340 -0.000 0.000 0.260 183 L C -0.624 176.150 176.870 -0.160 0.000 1.015 183 L CA -0.770 53.973 54.840 -0.161 0.000 0.821 183 L CB 2.317 44.314 42.059 -0.102 0.000 1.370 183 L HN 0.807 nan 8.230 nan 0.000 0.416 184 Q N 0.741 120.485 119.800 -0.094 0.000 2.337 184 Q HA 0.461 4.801 4.340 -0.000 0.000 0.270 184 Q C -1.557 174.418 176.000 -0.043 0.000 1.043 184 Q CA -0.692 55.070 55.803 -0.070 0.000 0.794 184 Q CB 2.537 31.242 28.738 -0.054 0.000 1.281 184 Q HN 0.455 nan 8.270 nan 0.000 0.446 185 V N 6.064 125.956 119.914 -0.036 0.000 2.403 185 V HA 0.004 4.124 4.120 -0.000 0.000 0.265 185 V C 0.801 176.880 176.094 -0.025 0.000 1.034 185 V CA 0.255 62.537 62.300 -0.029 0.000 1.036 185 V CB 0.360 32.165 31.823 -0.030 0.000 1.032 185 V HN 0.809 nan 8.190 nan 0.000 0.478 186 K N 3.486 123.874 120.400 -0.020 0.000 2.044 186 K HA 0.126 4.446 4.320 -0.000 0.000 0.204 186 K C 0.332 176.919 176.600 -0.021 0.000 1.045 186 K CA 0.891 57.169 56.287 -0.014 0.000 0.951 186 K CB 0.264 32.763 32.500 -0.003 0.000 0.738 186 K HN 0.668 nan 8.250 nan 0.000 0.443 187 Q N 0.364 120.146 119.800 -0.030 0.000 2.305 187 Q HA 0.296 4.636 4.340 -0.000 0.000 0.271 187 Q C -1.138 174.793 176.000 -0.116 0.000 1.046 187 Q CA -0.460 55.309 55.803 -0.055 0.000 0.798 187 Q CB 2.968 31.689 28.738 -0.029 0.000 1.286 187 Q HN -0.106 nan 8.270 nan 0.000 0.435 188 K N 1.728 122.040 120.400 -0.146 0.000 2.264 188 K HA 0.438 4.758 4.320 -0.000 0.000 0.277 188 K C -0.116 176.276 176.600 -0.346 0.000 1.067 188 K CA -0.147 56.013 56.287 -0.212 0.000 0.900 188 K CB 0.628 33.042 32.500 -0.143 0.000 1.124 188 K HN 0.819 nan 8.250 nan 0.000 0.469 189 G N 1.924 110.325 108.800 -0.666 0.000 2.494 189 G HA2 0.301 4.261 3.960 -0.000 0.000 0.270 189 G HA3 0.301 4.261 3.960 -0.000 0.000 0.270 189 G C 0.630 175.183 174.900 -0.578 0.000 1.423 189 G CA 0.179 44.630 45.100 -1.081 0.000 1.055 189 G HN 0.660 nan 8.290 nan 0.000 0.536 190 A N -0.828 121.752 122.820 -0.400 0.000 1.887 190 A HA 0.176 4.496 4.320 -0.000 0.000 0.212 190 A C 1.668 179.232 177.584 -0.034 0.000 1.198 190 A CA 2.014 53.990 52.037 -0.102 0.000 0.628 190 A CB -0.094 18.929 19.000 0.038 0.000 0.847 190 A HN 0.649 nan 8.150 nan 0.000 0.449 191 D N -2.489 117.980 120.400 0.114 0.000 2.527 191 D HA 0.316 4.956 4.640 -0.000 0.000 0.224 191 D C 0.076 176.525 176.300 0.249 0.000 1.217 191 D CA -0.389 53.706 54.000 0.157 0.000 0.819 191 D CB 0.109 41.026 40.800 0.195 0.000 1.061 191 D HN 0.411 nan 8.370 nan 0.000 0.515 192 F N -0.779 119.173 119.950 0.003 0.000 2.692 192 F HA 0.729 5.256 4.527 -0.000 0.000 0.320 192 F C -1.881 173.916 175.800 -0.004 0.000 1.123 192 F CA -1.742 56.264 58.000 0.011 0.000 0.961 192 F CB 1.142 40.167 39.000 0.042 0.000 1.383 192 F HN -0.260 nan 8.300 nan 0.000 0.483 193 L N 1.882 123.158 121.223 0.088 0.000 2.408 193 L HA 0.666 5.006 4.340 -0.000 0.000 0.268 193 L C -1.270 175.666 176.870 0.110 0.000 0.986 193 L CA -1.286 53.538 54.840 -0.026 0.000 0.820 193 L CB 2.279 44.321 42.059 -0.029 0.000 1.303 193 L HN 0.550 nan 8.230 nan 0.000 0.411 194 V N 1.452 121.403 119.914 0.062 0.000 2.318 194 V HA 0.383 4.503 4.120 -0.000 0.000 0.271 194 V C 0.532 176.647 176.094 0.036 0.000 1.030 194 V CA -0.329 62.029 62.300 0.098 0.000 0.844 194 V CB 1.139 33.028 31.823 0.111 0.000 1.015 194 V HN 0.942 nan 8.190 nan 0.000 0.460 195 T N 1.404 115.977 114.554 0.031 0.000 2.876 195 T HA 0.717 5.067 4.350 -0.000 0.000 0.277 195 T C -0.536 174.164 174.700 -0.001 0.000 0.997 195 T CA -0.758 61.344 62.100 0.002 0.000 0.966 195 T CB 2.395 71.256 68.868 -0.011 0.000 1.312 195 T HN 0.595 nan 8.240 nan 0.000 0.598 196 E N 0.264 120.454 120.200 -0.016 0.000 2.287 196 E HA 0.454 4.804 4.350 -0.000 0.000 0.274 196 E C -1.372 175.210 176.600 -0.031 0.000 0.896 196 E CA -0.797 55.593 56.400 -0.017 0.000 0.788 196 E CB 2.133 31.825 29.700 -0.014 0.000 1.244 196 E HN 0.562 nan 8.360 nan 0.000 0.408 197 V N 5.073 124.971 119.914 -0.026 0.000 2.493 197 V HA -0.043 4.076 4.120 -0.000 0.000 0.292 197 V C 1.196 177.270 176.094 -0.033 0.000 1.016 197 V CA 0.757 63.038 62.300 -0.033 0.000 1.097 197 V CB 0.792 32.603 31.823 -0.019 0.000 0.947 197 V HN 0.793 nan 8.190 nan 0.000 0.479 198 E N 3.445 123.615 120.200 -0.049 0.000 2.190 198 E HA 0.016 4.366 4.350 -0.000 0.000 0.191 198 E C -0.058 176.531 176.600 -0.019 0.000 0.978 198 E CA 0.749 57.126 56.400 -0.038 0.000 0.839 198 E CB 0.255 29.920 29.700 -0.058 0.000 0.787 198 E HN 0.962 nan 8.360 nan 0.000 0.473 199 N N -0.416 118.273 118.700 -0.019 0.000 2.425 199 N HA 0.288 5.028 4.740 -0.000 0.000 0.289 199 N C -0.177 175.334 175.510 0.001 0.000 1.074 199 N CA -0.428 52.622 53.050 0.000 0.000 0.905 199 N CB 1.525 40.022 38.487 0.017 0.000 1.586 199 N HN -0.050 nan 8.380 nan 0.000 0.490 200 G N 0.340 109.143 108.800 0.005 0.000 2.803 200 G HA2 0.672 4.632 3.960 -0.000 0.000 0.177 200 G HA3 0.672 4.632 3.960 -0.000 0.000 0.177 200 G C 0.342 175.251 174.900 0.015 0.000 1.629 200 G CA -0.015 45.089 45.100 0.007 0.000 1.077 200 G HN 1.225 nan 8.290 nan 0.000 0.556 201 G N -2.184 106.624 108.800 0.014 0.000 2.408 201 G HA2 0.416 4.376 3.960 -0.000 0.000 0.682 201 G HA3 0.416 4.376 3.960 -0.000 0.000 0.682 201 G C -0.074 174.837 174.900 0.018 0.000 1.303 201 G CA 0.344 45.455 45.100 0.019 0.000 0.966 201 G HN 1.774 nan 8.290 nan 0.000 0.560 202 S N -1.204 114.507 115.700 0.020 0.000 2.632 202 S HA 0.752 5.222 4.470 -0.000 0.000 0.271 202 S C -0.273 174.341 174.600 0.024 0.000 1.260 202 S CA -0.217 57.994 58.200 0.019 0.000 1.010 202 S CB 1.916 65.126 63.200 0.017 0.000 0.965 202 S HN 2.040 nan 8.310 nan 0.000 0.534 203 L N 1.788 123.025 121.223 0.023 0.000 2.372 203 L HA 0.779 5.119 4.340 -0.000 0.000 0.274 203 L C 0.164 177.053 176.870 0.031 0.000 0.988 203 L CA -0.086 54.772 54.840 0.030 0.000 0.833 203 L CB 1.021 43.097 42.059 0.028 0.000 1.236 203 L HN 0.961 nan 8.230 nan 0.000 0.410 204 G N 2.618 111.440 108.800 0.037 0.000 2.531 204 G HA2 0.517 4.477 3.960 -0.000 0.000 0.281 204 G HA3 0.517 4.477 3.960 -0.000 0.000 0.281 204 G C -0.670 174.258 174.900 0.047 0.000 1.382 204 G CA -0.564 44.558 45.100 0.035 0.000 1.045 204 G HN 0.655 nan 8.290 nan 0.000 0.533 205 S N -0.567 115.160 115.700 0.045 0.000 2.632 205 S HA 0.313 4.783 4.470 -0.000 0.000 0.267 205 S C -0.219 174.428 174.600 0.079 0.000 1.276 205 S CA -0.537 57.700 58.200 0.061 0.000 0.998 205 S CB 0.837 64.064 63.200 0.044 0.000 0.953 205 S HN 0.516 nan 8.310 nan 0.000 0.547 206 K N 1.004 121.469 120.400 0.108 0.000 4.768 206 K HA -0.193 4.127 4.320 -0.000 0.000 0.286 206 K C -0.470 176.202 176.600 0.120 0.000 0.770 206 K CA 0.594 56.958 56.287 0.129 0.000 0.824 206 K CB -0.909 31.672 32.500 0.134 0.000 1.900 206 K HN 0.240 nan 8.250 nan 0.000 0.407 207 K N 0.513 120.976 120.400 0.106 0.000 2.258 207 K HA 0.437 4.757 4.320 -0.000 0.000 0.236 207 K C 0.676 177.331 176.600 0.091 0.000 1.008 207 K CA -0.601 55.745 56.287 0.098 0.000 0.869 207 K CB 1.418 33.968 32.500 0.083 0.000 1.171 207 K HN 0.406 nan 8.250 nan 0.000 0.447 208 G N -0.084 108.771 108.800 0.093 0.000 2.467 208 G HA2 0.446 4.406 3.960 -0.000 0.000 0.257 208 G HA3 0.446 4.406 3.960 -0.000 0.000 0.257 208 G C -0.831 174.119 174.900 0.082 0.000 1.227 208 G CA -0.341 44.810 45.100 0.084 0.000 0.835 208 G HN 0.161 nan 8.290 nan 0.000 0.556 209 V N 2.423 122.376 119.914 0.065 0.000 2.525 209 V HA 0.313 4.433 4.120 -0.000 0.000 0.299 209 V C -0.639 175.501 176.094 0.077 0.000 1.034 209 V CA -1.101 61.243 62.300 0.074 0.000 0.863 209 V CB 1.798 33.645 31.823 0.041 0.000 0.999 209 V HN 0.754 nan 8.190 nan 0.000 0.423 210 N N 3.830 122.611 118.700 0.136 0.000 2.405 210 N HA 0.725 5.465 4.740 -0.000 0.000 0.299 210 N C -0.857 174.755 175.510 0.169 0.000 1.075 210 N CA -0.598 52.531 53.050 0.132 0.000 0.884 210 N CB 1.976 40.534 38.487 0.119 0.000 1.194 210 N HN 0.595 nan 8.380 nan 0.000 0.491 211 L N 2.148 123.442 121.223 0.118 0.000 2.581 211 L HA 0.447 4.787 4.340 -0.000 0.000 0.241 211 L C -2.377 174.565 176.870 0.119 0.000 1.265 211 L CA -1.717 53.198 54.840 0.126 0.000 0.954 211 L CB 0.658 42.776 42.059 0.098 0.000 1.269 211 L HN 0.257 nan 8.230 nan 0.000 0.475 212 P HA -0.019 nan 4.420 nan 0.000 0.264 212 P C 0.928 178.293 177.300 0.108 0.000 1.179 212 P CA 0.596 63.764 63.100 0.113 0.000 0.763 212 P CB 0.595 32.366 31.700 0.118 0.000 0.806 213 G N 1.520 110.382 108.800 0.103 0.000 2.393 213 G HA2 0.021 3.981 3.960 -0.000 0.000 0.299 213 G HA3 0.021 3.981 3.960 -0.000 0.000 0.299 213 G C 0.056 174.997 174.900 0.069 0.000 0.990 213 G CA 0.188 45.342 45.100 0.091 0.000 1.118 213 G HN 0.813 nan 8.290 nan 0.000 0.513 214 A N -0.684 122.175 122.820 0.065 0.000 2.488 214 A HA 0.952 5.272 4.320 -0.000 0.000 0.298 214 A C 0.133 177.746 177.584 0.048 0.000 1.044 214 A CA 0.277 52.349 52.037 0.058 0.000 0.693 214 A CB 1.431 20.476 19.000 0.074 0.000 1.272 214 A HN 2.072 nan 8.150 nan 0.000 0.402 215 A N 2.204 125.050 122.820 0.043 0.000 3.004 215 A HA 0.491 4.811 4.320 -0.000 0.000 0.286 215 A C 0.529 178.139 177.584 0.043 0.000 1.632 215 A CA 0.076 52.132 52.037 0.032 0.000 1.339 215 A CB -1.356 17.659 19.000 0.024 0.000 1.136 215 A HN 1.962 nan 8.150 nan 0.000 0.577 216 V N 0.767 120.684 119.914 0.005 0.000 2.450 216 V HA 0.151 4.271 4.120 -0.000 0.000 0.281 216 V C 0.566 176.618 176.094 -0.070 0.000 1.019 216 V CA 0.153 62.416 62.300 -0.062 0.000 1.062 216 V CB -0.040 31.595 31.823 -0.313 0.000 0.979 216 V HN 0.741 nan 8.190 nan 0.000 0.477 217 D N 3.673 124.102 120.400 0.048 0.000 2.352 217 D HA 0.039 4.679 4.640 -0.000 0.000 0.232 217 D C 0.592 176.886 176.300 -0.011 0.000 1.055 217 D CA -0.096 53.926 54.000 0.037 0.000 0.891 217 D CB -0.339 40.516 40.800 0.092 0.000 0.897 217 D HN 0.626 nan 8.370 nan 0.000 0.529 218 L N 0.288 121.429 121.223 -0.137 0.000 2.516 218 L HA 0.119 4.459 4.340 -0.000 0.000 0.288 218 L C -1.732 175.087 176.870 -0.085 0.000 1.246 218 L CA -1.386 53.369 54.840 -0.142 0.000 0.844 218 L CB -0.246 41.626 42.059 -0.311 0.000 1.106 218 L HN -0.103 nan 8.230 nan 0.000 0.509 219 P HA 0.032 nan 4.420 nan 0.000 0.267 219 P C 0.069 177.356 177.300 -0.022 0.000 1.205 219 P CA -0.012 63.075 63.100 -0.021 0.000 0.765 219 P CB 1.086 32.785 31.700 -0.002 0.000 0.828 220 A N 3.808 126.625 122.820 -0.005 0.000 1.873 220 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 220 A C 0.845 178.442 177.584 0.022 0.000 1.193 220 A CA 1.628 53.671 52.037 0.011 0.000 0.629 220 A CB -0.760 18.248 19.000 0.014 0.000 0.826 220 A HN 0.436 nan 8.150 nan 0.000 0.447 221 V N 1.353 121.280 119.914 0.022 0.000 2.284 221 V HA 0.349 4.469 4.120 -0.000 0.000 0.274 221 V C 0.505 176.615 176.094 0.027 0.000 1.023 221 V CA -0.216 62.102 62.300 0.029 0.000 0.808 221 V CB 0.483 32.325 31.823 0.032 0.000 1.035 221 V HN 0.616 nan 8.190 nan 0.000 0.445 222 S N 2.777 118.494 115.700 0.027 0.000 2.633 222 S HA 0.203 4.673 4.470 -0.000 0.000 0.257 222 S C 1.181 175.806 174.600 0.041 0.000 1.265 222 S CA 0.400 58.616 58.200 0.027 0.000 0.980 222 S CB 1.216 64.428 63.200 0.021 0.000 1.017 222 S HN 0.665 nan 8.310 nan 0.000 0.577 223 E N 0.994 121.220 120.200 0.042 0.000 2.007 223 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 223 E C 2.051 178.691 176.600 0.066 0.000 0.999 223 E CA 2.043 58.472 56.400 0.050 0.000 0.811 223 E CB -0.508 29.219 29.700 0.044 0.000 0.762 223 E HN 0.756 nan 8.360 nan 0.000 0.450 224 K N 0.003 120.445 120.400 0.070 0.000 2.113 224 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 224 K C 1.593 178.271 176.600 0.130 0.000 1.047 224 K CA 1.908 58.254 56.287 0.098 0.000 0.928 224 K CB -0.234 32.321 32.500 0.092 0.000 0.716 224 K HN 0.161 nan 8.250 nan 0.000 0.446 225 D N 0.965 121.425 120.400 0.100 0.000 2.092 225 D HA -0.187 4.453 4.640 -0.000 0.000 0.193 225 D C 1.997 178.349 176.300 0.087 0.000 0.994 225 D CA 1.534 55.590 54.000 0.092 0.000 0.828 225 D CB -0.284 40.554 40.800 0.064 0.000 0.963 225 D HN 0.332 nan 8.370 nan 0.000 0.450 226 I N 1.186 121.803 120.570 0.078 0.000 2.248 226 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 226 I C 2.487 178.671 176.117 0.110 0.000 1.107 226 I CA 1.014 62.359 61.300 0.075 0.000 1.373 226 I CB -0.289 37.750 38.000 0.065 0.000 1.055 226 I HN 0.014 nan 8.210 nan 0.000 0.418 227 Q N 0.784 120.673 119.800 0.149 0.000 1.993 227 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 227 Q C 1.890 178.076 176.000 0.310 0.000 0.984 227 Q CA 1.659 57.603 55.803 0.235 0.000 0.837 227 Q CB -0.638 28.240 28.738 0.234 0.000 0.902 227 Q HN 0.561 nan 8.270 nan 0.000 0.423 228 D N 0.605 121.177 120.400 0.288 0.000 2.149 228 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 228 D C 2.228 178.533 176.300 0.008 0.000 0.990 228 D CA 0.741 54.849 54.000 0.179 0.000 0.839 228 D CB -0.141 40.779 40.800 0.200 0.000 0.948 228 D HN 0.191 nan 8.370 nan 0.000 0.460 229 L N 0.574 121.805 121.223 0.012 0.000 2.027 229 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 229 L C 2.482 179.353 176.870 0.001 0.000 1.074 229 L CA 1.186 56.005 54.840 -0.034 0.000 0.745 229 L CB -0.235 41.818 42.059 -0.011 0.000 0.898 229 L HN -0.078 nan 8.230 nan 0.000 0.433 230 K N -0.663 119.775 120.400 0.064 0.000 2.147 230 K HA -0.202 4.118 4.320 -0.000 0.000 0.205 230 K C 2.011 178.658 176.600 0.077 0.000 1.049 230 K CA 1.374 57.701 56.287 0.067 0.000 0.936 230 K CB -0.206 32.351 32.500 0.096 0.000 0.722 230 K HN 0.118 nan 8.250 nan 0.000 0.446 231 F N 1.136 121.062 119.950 -0.039 0.000 2.171 231 F HA -0.102 4.425 4.527 -0.000 0.000 0.300 231 F C 1.985 177.722 175.800 -0.105 0.000 1.090 231 F CA 1.670 59.623 58.000 -0.079 0.000 1.293 231 F CB -0.592 38.238 39.000 -0.284 0.000 1.013 231 F HN -0.020 nan 8.300 nan 0.000 0.486 232 G N 0.222 108.945 108.800 -0.128 0.000 2.440 232 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 232 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 232 G C 1.709 176.469 174.900 -0.233 0.000 1.154 232 G CA 1.287 46.239 45.100 -0.246 0.000 0.767 232 G HN 0.352 nan 8.290 nan 0.000 0.552 233 V N 0.944 120.767 119.914 -0.152 0.000 2.237 233 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 233 V C 2.644 178.653 176.094 -0.142 0.000 1.046 233 V CA 2.360 64.592 62.300 -0.114 0.000 1.007 233 V CB -0.785 31.001 31.823 -0.062 0.000 0.638 233 V HN 0.474 nan 8.190 nan 0.000 0.445 234 E N -0.228 119.875 120.200 -0.162 0.000 2.171 234 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 234 E C 2.154 178.607 176.600 -0.246 0.000 0.997 234 E CA 1.118 57.417 56.400 -0.168 0.000 0.810 234 E CB -0.149 29.464 29.700 -0.145 0.000 0.738 234 E HN 0.539 nan 8.360 nan 0.000 0.467 235 Q N 0.483 120.046 119.800 -0.396 0.000 2.444 235 Q HA -0.050 4.290 4.340 -0.000 0.000 0.206 235 Q C -0.235 175.645 176.000 -0.200 0.000 0.948 235 Q CA 0.412 55.992 55.803 -0.371 0.000 0.946 235 Q CB 0.199 28.586 28.738 -0.586 0.000 1.027 235 Q HN 0.196 nan 8.270 nan 0.000 0.513 236 D N 0.092 120.396 120.400 -0.160 0.000 2.705 236 D HA -0.147 4.493 4.640 -0.000 0.000 0.240 236 D C -0.474 175.773 176.300 -0.088 0.000 1.137 236 D CA 0.458 54.400 54.000 -0.098 0.000 0.677 236 D CB -1.095 39.666 40.800 -0.066 0.000 1.049 236 D HN 0.121 nan 8.370 nan 0.000 0.427 237 V N -1.870 117.976 119.914 -0.113 0.000 2.732 237 V HA 0.405 4.524 4.120 -0.000 0.000 0.297 237 V C 1.437 177.483 176.094 -0.081 0.000 1.060 237 V CA -0.094 62.142 62.300 -0.107 0.000 1.038 237 V CB 1.700 33.429 31.823 -0.156 0.000 1.003 237 V HN 0.042 nan 8.190 nan 0.000 0.481 238 D N 3.312 123.673 120.400 -0.064 0.000 2.149 238 D HA 0.051 4.691 4.640 -0.000 0.000 0.201 238 D C 0.767 177.045 176.300 -0.037 0.000 0.972 238 D CA 1.943 55.925 54.000 -0.029 0.000 0.835 238 D CB 0.170 40.972 40.800 0.005 0.000 0.966 238 D HN 0.828 nan 8.370 nan 0.000 0.476 239 M N -1.249 118.291 119.600 -0.100 0.000 2.622 239 M HA 0.554 5.034 4.480 -0.000 0.000 0.276 239 M C -1.648 174.513 176.300 -0.232 0.000 1.265 239 M CA -0.957 54.282 55.300 -0.102 0.000 0.850 239 M CB 3.119 35.710 32.600 -0.016 0.000 1.720 239 M HN -0.410 nan 8.290 nan 0.000 0.465 240 V N 2.213 122.056 119.914 -0.118 0.000 2.588 240 V HA 0.540 4.660 4.120 -0.000 0.000 0.304 240 V C -1.406 174.773 176.094 0.142 0.000 1.042 240 V CA -0.400 61.826 62.300 -0.123 0.000 0.877 240 V CB 1.911 33.693 31.823 -0.069 0.000 0.996 240 V HN 0.680 nan 8.190 nan 0.000 0.425 241 F N 3.471 123.388 119.950 -0.055 0.000 2.313 241 F HA 0.655 5.182 4.527 -0.000 0.000 0.369 241 F C 0.746 176.522 175.800 -0.040 0.000 1.109 241 F CA -1.527 56.446 58.000 -0.045 0.000 1.132 241 F CB 0.934 39.912 39.000 -0.037 0.000 1.291 241 F HN 0.530 nan 8.300 nan 0.000 0.496 242 A N 2.631 125.537 122.820 0.142 0.000 2.362 242 A HA 0.538 4.858 4.320 -0.000 0.000 0.276 242 A C 0.453 178.071 177.584 0.057 0.000 1.153 242 A CA -0.222 51.861 52.037 0.078 0.000 0.813 242 A CB 0.128 19.155 19.000 0.045 0.000 1.081 242 A HN 0.600 nan 8.150 nan 0.000 0.507 243 S N 0.931 116.685 115.700 0.090 0.000 2.610 243 S HA 0.505 4.975 4.470 -0.000 0.000 0.273 243 S C -0.174 174.532 174.600 0.176 0.000 1.274 243 S CA -0.229 58.018 58.200 0.079 0.000 1.023 243 S CB -0.121 63.204 63.200 0.208 0.000 0.962 243 S HN 0.729 nan 8.310 nan 0.000 0.523 244 F N 0.003 119.946 119.950 -0.012 0.000 2.970 244 F HA -0.162 4.365 4.527 -0.000 0.000 0.251 244 F C 0.132 175.918 175.800 -0.023 0.000 0.993 244 F CA -0.167 57.821 58.000 -0.020 0.000 0.869 244 F CB -1.503 37.479 39.000 -0.031 0.000 0.762 244 F HN 0.347 nan 8.300 nan 0.000 0.817 245 I N 1.326 121.929 120.570 0.054 0.000 2.505 245 I HA 0.034 4.204 4.170 -0.000 0.000 0.287 245 I C 1.507 177.635 176.117 0.020 0.000 1.104 245 I CA 0.493 61.807 61.300 0.023 0.000 1.387 245 I CB 0.894 38.878 38.000 -0.026 0.000 1.404 245 I HN 0.402 nan 8.210 nan 0.000 0.528 246 R N 5.298 125.811 120.500 0.022 0.000 2.123 246 R HA 0.123 4.463 4.340 -0.000 0.000 0.209 246 R C 0.402 176.693 176.300 -0.015 0.000 1.078 246 R CA 0.468 56.579 56.100 0.018 0.000 1.028 246 R CB 0.366 30.683 30.300 0.028 0.000 0.939 246 R HN 0.573 nan 8.270 nan 0.000 0.463 247 K N -1.062 119.314 120.400 -0.040 0.000 2.263 247 K HA 0.573 4.893 4.320 -0.000 0.000 0.249 247 K C 0.456 176.978 176.600 -0.130 0.000 1.076 247 K CA -0.258 55.987 56.287 -0.069 0.000 0.884 247 K CB 1.205 33.675 32.500 -0.051 0.000 1.394 247 K HN -0.123 nan 8.250 nan 0.000 0.476 248 A N 0.761 123.478 122.820 -0.173 0.000 1.897 248 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 248 A C 2.246 179.548 177.584 -0.470 0.000 1.181 248 A CA 2.130 53.965 52.037 -0.336 0.000 0.620 248 A CB -1.103 17.706 19.000 -0.319 0.000 0.821 248 A HN 0.840 nan 8.150 nan 0.000 0.443 249 S N 0.634 116.195 115.700 -0.231 0.000 2.387 249 S HA -0.259 4.211 4.470 -0.000 0.000 0.230 249 S C 1.408 175.967 174.600 -0.069 0.000 1.035 249 S CA 1.775 59.924 58.200 -0.085 0.000 1.014 249 S CB -0.648 62.559 63.200 0.011 0.000 0.836 249 S HN 0.500 nan 8.310 nan 0.000 0.466 250 D N 1.507 121.857 120.400 -0.083 0.000 2.097 250 D HA -0.046 4.594 4.640 -0.000 0.000 0.195 250 D C 2.145 178.416 176.300 -0.047 0.000 0.989 250 D CA 1.311 55.286 54.000 -0.041 0.000 0.827 250 D CB -0.688 40.094 40.800 -0.031 0.000 0.966 250 D HN 0.376 nan 8.370 nan 0.000 0.456 251 V N 0.604 120.446 119.914 -0.120 0.000 2.343 251 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 251 V C 2.033 178.127 176.094 0.000 0.000 1.051 251 V CA 1.760 64.006 62.300 -0.089 0.000 1.036 251 V CB -0.754 30.976 31.823 -0.155 0.000 0.654 251 V HN 0.362 nan 8.190 nan 0.000 0.451 252 H N -0.064 118.999 119.070 -0.011 0.000 2.352 252 H HA -0.188 4.368 4.556 -0.000 0.000 0.299 252 H C 2.472 177.799 175.328 -0.002 0.000 1.097 252 H CA 1.621 57.664 56.048 -0.008 0.000 1.311 252 H CB 0.082 29.839 29.762 -0.008 0.000 1.377 252 H HN 0.512 nan 8.280 nan 0.000 0.504 253 E N 0.287 120.558 120.200 0.119 0.000 2.118 253 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 253 E C 2.289 178.921 176.600 0.052 0.000 0.992 253 E CA 1.222 57.664 56.400 0.070 0.000 0.804 253 E CB 0.107 29.835 29.700 0.047 0.000 0.741 253 E HN 0.241 nan 8.360 nan 0.000 0.458 254 V N 1.090 121.031 119.914 0.045 0.000 2.515 254 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 254 V C 2.270 178.384 176.094 0.034 0.000 1.058 254 V CA 1.207 63.527 62.300 0.033 0.000 1.064 254 V CB -0.424 31.413 31.823 0.024 0.000 0.675 254 V HN 0.182 nan 8.190 nan 0.000 0.461 255 R N 0.545 121.076 120.500 0.051 0.000 2.070 255 R HA -0.158 4.181 4.340 -0.000 0.000 0.232 255 R C 2.361 178.679 176.300 0.030 0.000 1.138 255 R CA 1.854 57.981 56.100 0.045 0.000 0.936 255 R CB -0.569 29.771 30.300 0.067 0.000 0.839 255 R HN 0.471 nan 8.270 nan 0.000 0.429 256 K N 0.350 120.770 120.400 0.034 0.000 2.034 256 K HA -0.159 4.161 4.320 -0.000 0.000 0.214 256 K C 2.064 178.676 176.600 0.020 0.000 1.051 256 K CA 1.956 58.256 56.287 0.022 0.000 0.931 256 K CB -0.209 32.307 32.500 0.026 0.000 0.715 256 K HN -0.045 nan 8.250 nan 0.000 0.446 257 V N 1.545 121.474 119.914 0.025 0.000 2.282 257 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 257 V C 2.308 178.412 176.094 0.016 0.000 1.057 257 V CA 1.938 64.252 62.300 0.023 0.000 1.032 257 V CB -0.419 31.420 31.823 0.026 0.000 0.645 257 V HN 0.363 nan 8.190 nan 0.000 0.447 258 L N -0.399 120.830 121.223 0.010 0.000 2.201 258 L HA 0.105 4.445 4.340 -0.000 0.000 0.212 258 L C 1.676 178.547 176.870 0.002 0.000 1.105 258 L CA 0.782 55.622 54.840 0.000 0.000 0.775 258 L CB -1.185 40.871 42.059 -0.004 0.000 0.913 258 L HN 0.596 nan 8.230 nan 0.000 0.440 259 G N 0.144 108.948 108.800 0.007 0.000 2.561 259 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.360 259 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.360 259 G C 0.780 175.681 174.900 0.001 0.000 1.328 259 G CA 0.389 45.492 45.100 0.005 0.000 0.918 259 G HN 0.257 nan 8.290 nan 0.000 0.542 260 E N 0.091 120.292 120.200 0.001 0.000 2.097 260 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 260 E C 2.647 179.246 176.600 -0.002 0.000 1.000 260 E CA 1.791 58.191 56.400 -0.001 0.000 0.804 260 E CB -0.260 29.440 29.700 -0.000 0.000 0.740 260 E HN 0.615 nan 8.360 nan 0.000 0.454 261 K N -1.039 119.360 120.400 -0.003 0.000 2.211 261 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 261 K C 1.539 178.132 176.600 -0.011 0.000 1.047 261 K CA 1.167 57.450 56.287 -0.007 0.000 0.935 261 K CB 0.003 32.498 32.500 -0.008 0.000 0.728 261 K HN 0.054 nan 8.250 nan 0.000 0.452 262 G N 1.365 110.159 108.800 -0.010 0.000 4.250 262 G HA2 0.018 3.978 3.960 -0.000 0.000 0.295 262 G HA3 0.018 3.978 3.960 -0.000 0.000 0.295 262 G C 0.656 175.553 174.900 -0.006 0.000 1.081 262 G CA -0.443 44.649 45.100 -0.014 0.000 0.854 262 G HN 0.199 nan 8.290 nan 0.000 0.524 263 K N -0.444 119.956 120.400 -0.001 0.000 2.280 263 K HA -0.027 4.292 4.320 -0.000 0.000 0.202 263 K C 1.108 177.715 176.600 0.011 0.000 1.047 263 K CA 1.099 57.389 56.287 0.005 0.000 0.942 263 K CB -0.018 32.484 32.500 0.004 0.000 0.739 263 K HN 0.107 nan 8.250 nan 0.000 0.457 264 N N 0.464 119.169 118.700 0.009 0.000 2.322 264 N HA 0.213 4.953 4.740 -0.000 0.000 0.194 264 N C -0.629 174.892 175.510 0.019 0.000 1.126 264 N CA 0.006 53.066 53.050 0.017 0.000 0.845 264 N CB 0.268 38.764 38.487 0.016 0.000 0.976 264 N HN 0.180 nan 8.380 nan 0.000 0.475 265 I N 1.324 121.899 120.570 0.008 0.000 2.325 265 I HA 0.102 4.272 4.170 -0.000 0.000 0.291 265 I C 0.007 176.134 176.117 0.016 0.000 1.019 265 I CA -0.797 60.503 61.300 0.000 0.000 1.302 265 I CB 0.757 38.742 38.000 -0.025 0.000 1.401 265 I HN -0.192 nan 8.210 nan 0.000 0.485 266 K N 7.538 127.956 120.400 0.031 0.000 2.379 266 K HA 0.350 4.670 4.320 -0.000 0.000 0.284 266 K C -0.299 176.332 176.600 0.051 0.000 1.044 266 K CA 0.015 56.331 56.287 0.049 0.000 0.974 266 K CB 0.756 33.299 32.500 0.071 0.000 0.962 266 K HN 0.535 nan 8.250 nan 0.000 0.474 267 I N 5.106 125.704 120.570 0.045 0.000 2.287 267 I HA 0.119 4.289 4.170 -0.000 0.000 0.290 267 I C 0.037 176.185 176.117 0.051 0.000 1.069 267 I CA -0.654 60.675 61.300 0.050 0.000 1.237 267 I CB 0.553 38.569 38.000 0.028 0.000 1.418 267 I HN 0.190 nan 8.210 nan 0.000 0.481 268 I N 5.340 125.978 120.570 0.113 0.000 2.269 268 I HA 0.149 4.319 4.170 -0.000 0.000 0.293 268 I C 0.758 176.873 176.117 -0.002 0.000 1.106 268 I CA 0.111 61.439 61.300 0.047 0.000 1.248 268 I CB 0.298 38.335 38.000 0.062 0.000 1.444 268 I HN 0.435 nan 8.210 nan 0.000 0.497 269 S N 6.680 122.350 115.700 -0.049 0.000 2.562 269 S HA 0.195 4.665 4.470 -0.000 0.000 0.281 269 S C 0.392 174.941 174.600 -0.086 0.000 1.333 269 S CA -0.278 57.885 58.200 -0.061 0.000 1.052 269 S CB 0.631 63.775 63.200 -0.094 0.000 0.884 269 S HN 0.388 nan 8.310 nan 0.000 0.506 270 K N 2.586 122.936 120.400 -0.085 0.000 2.235 270 K HA 0.397 4.717 4.320 -0.000 0.000 0.266 270 K C -0.893 175.637 176.600 -0.116 0.000 0.980 270 K CA -0.658 55.553 56.287 -0.127 0.000 0.849 270 K CB 1.074 33.478 32.500 -0.160 0.000 1.098 270 K HN 0.384 nan 8.250 nan 0.000 0.445 271 I N 3.644 124.163 120.570 -0.084 0.000 2.291 271 I HA 0.100 4.270 4.170 -0.000 0.000 0.290 271 I C 0.669 176.710 176.117 -0.126 0.000 1.050 271 I CA 0.294 61.564 61.300 -0.050 0.000 1.245 271 I CB 0.551 38.584 38.000 0.054 0.000 1.405 271 I HN 0.765 nan 8.210 nan 0.000 0.478 272 E N 4.071 124.157 120.200 -0.189 0.000 2.539 272 E HA 0.068 4.418 4.350 -0.000 0.000 0.215 272 E C 0.178 176.701 176.600 -0.128 0.000 0.965 272 E CA -0.056 56.182 56.400 -0.271 0.000 1.019 272 E CB 0.745 30.035 29.700 -0.683 0.000 1.059 272 E HN 0.696 nan 8.360 nan 0.000 0.496 273 N N -1.163 117.521 118.700 -0.027 0.000 2.761 273 N HA 0.050 4.790 4.740 -0.000 0.000 0.283 273 N C 0.381 175.948 175.510 0.095 0.000 1.377 273 N CA -0.521 52.565 53.050 0.059 0.000 0.791 273 N CB 0.745 39.318 38.487 0.143 0.000 1.540 273 N HN -0.117 nan 8.380 nan 0.000 0.539 274 H N -0.473 118.601 119.070 0.007 0.000 2.357 274 H HA -0.049 4.506 4.556 -0.000 0.000 0.301 274 H C 1.517 176.850 175.328 0.007 0.000 1.082 274 H CA 1.657 57.704 56.048 -0.002 0.000 1.342 274 H CB 0.457 30.218 29.762 -0.001 0.000 1.389 274 H HN 0.755 nan 8.280 nan 0.000 0.511 275 E N -0.285 119.989 120.200 0.124 0.000 2.077 275 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 275 E C 2.426 179.066 176.600 0.065 0.000 0.989 275 E CA 0.892 57.317 56.400 0.042 0.000 0.800 275 E CB -0.262 29.451 29.700 0.022 0.000 0.746 275 E HN 0.603 nan 8.360 nan 0.000 0.452 276 G N 0.419 109.266 108.800 0.078 0.000 2.469 276 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 276 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 276 G C 1.623 176.603 174.900 0.134 0.000 1.150 276 G CA 1.153 46.298 45.100 0.077 0.000 0.763 276 G HN 0.241 nan 8.290 nan 0.000 0.561 277 V N 0.334 120.327 119.914 0.131 0.000 2.358 277 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 277 V C 2.850 179.027 176.094 0.138 0.000 1.047 277 V CA 1.875 64.250 62.300 0.125 0.000 1.035 277 V CB -0.498 31.367 31.823 0.070 0.000 0.658 277 V HN 0.285 nan 8.190 nan 0.000 0.452 278 R N 0.350 120.924 120.500 0.123 0.000 2.073 278 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 278 R C 1.886 178.232 176.300 0.076 0.000 1.134 278 R CA 1.229 57.374 56.100 0.074 0.000 0.952 278 R CB -0.183 30.121 30.300 0.007 0.000 0.850 278 R HN 0.483 nan 8.270 nan 0.000 0.433 279 R N 0.078 120.617 120.500 0.066 0.000 2.752 279 R HA 0.038 4.378 4.340 -0.000 0.000 0.279 279 R C 1.028 177.356 176.300 0.047 0.000 1.212 279 R CA -0.231 55.892 56.100 0.038 0.000 1.169 279 R CB -0.133 30.166 30.300 -0.001 0.000 1.286 279 R HN 0.176 nan 8.270 nan 0.000 0.564 280 F N 2.352 122.286 119.950 -0.028 0.000 2.069 280 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 280 F C 1.704 177.483 175.800 -0.036 0.000 1.113 280 F CA 1.841 59.819 58.000 -0.035 0.000 1.214 280 F CB 0.102 39.080 39.000 -0.037 0.000 0.978 280 F HN 0.044 nan 8.300 nan 0.000 0.474 281 D N 0.276 120.732 120.400 0.092 0.000 2.116 281 D HA -0.273 4.367 4.640 -0.000 0.000 0.193 281 D C 2.168 178.386 176.300 -0.136 0.000 0.998 281 D CA 1.772 55.767 54.000 -0.007 0.000 0.836 281 D CB -0.599 40.242 40.800 0.069 0.000 0.951 281 D HN 0.562 nan 8.370 nan 0.000 0.449 282 E N 0.321 120.459 120.200 -0.104 0.000 2.058 282 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 282 E C 2.361 178.850 176.600 -0.185 0.000 0.997 282 E CA 0.801 57.135 56.400 -0.111 0.000 0.801 282 E CB -0.063 29.590 29.700 -0.078 0.000 0.746 282 E HN 0.270 nan 8.360 nan 0.000 0.450 283 I N 0.554 120.969 120.570 -0.259 0.000 2.193 283 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 283 I C 2.549 178.441 176.117 -0.374 0.000 1.084 283 I CA 0.384 61.499 61.300 -0.308 0.000 1.365 283 I CB -0.289 37.522 38.000 -0.315 0.000 1.064 283 I HN 0.235 nan 8.210 nan 0.000 0.410 284 L N 1.080 121.942 121.223 -0.603 0.000 2.129 284 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 284 L C 2.415 179.137 176.870 -0.247 0.000 1.087 284 L CA 1.901 56.431 54.840 -0.517 0.000 0.757 284 L CB -0.899 40.760 42.059 -0.667 0.000 0.896 284 L HN 0.255 nan 8.230 nan 0.000 0.434 285 E N 0.255 120.338 120.200 -0.196 0.000 2.017 285 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 285 E C 1.920 178.481 176.600 -0.065 0.000 0.997 285 E CA 1.515 57.858 56.400 -0.095 0.000 0.804 285 E CB -0.248 29.412 29.700 -0.066 0.000 0.757 285 E HN 0.553 nan 8.360 nan 0.000 0.448 286 A N 0.561 123.333 122.820 -0.080 0.000 2.239 286 A HA 0.046 4.366 4.320 -0.000 0.000 0.209 286 A C 1.085 178.647 177.584 -0.038 0.000 1.171 286 A CA 0.447 52.467 52.037 -0.028 0.000 0.768 286 A CB -0.016 18.905 19.000 -0.131 0.000 0.790 286 A HN 0.159 nan 8.150 nan 0.000 0.478 287 S N -0.985 114.667 115.700 -0.081 0.000 2.739 287 S HA 0.373 4.843 4.470 -0.000 0.000 0.306 287 S C 0.025 174.598 174.600 -0.045 0.000 1.115 287 S CA -0.615 57.546 58.200 -0.066 0.000 0.985 287 S CB 1.147 64.282 63.200 -0.108 0.000 1.133 287 S HN 0.374 nan 8.310 nan 0.000 0.541 288 D N 0.056 120.438 120.400 -0.029 0.000 2.338 288 D HA 0.271 4.911 4.640 -0.000 0.000 0.208 288 D C 0.709 176.975 176.300 -0.057 0.000 0.997 288 D CA 0.511 54.500 54.000 -0.017 0.000 0.880 288 D CB 0.629 41.438 40.800 0.015 0.000 0.980 288 D HN 0.608 nan 8.370 nan 0.000 0.509 289 G N 0.054 108.811 108.800 -0.072 0.000 2.600 289 G HA2 0.510 4.470 3.960 -0.000 0.000 0.293 289 G HA3 0.510 4.470 3.960 -0.000 0.000 0.293 289 G C -1.719 173.121 174.900 -0.100 0.000 1.408 289 G CA -0.476 44.561 45.100 -0.106 0.000 0.782 289 G HN -0.095 nan 8.290 nan 0.000 0.482 290 I N 0.474 120.986 120.570 -0.097 0.000 2.769 290 I HA 0.539 4.709 4.170 -0.000 0.000 0.298 290 I C -0.577 175.469 176.117 -0.118 0.000 1.128 290 I CA -0.708 60.552 61.300 -0.067 0.000 1.031 290 I CB 2.129 40.177 38.000 0.079 0.000 1.235 290 I HN 0.573 nan 8.210 nan 0.000 0.423 291 M N 5.395 124.907 119.600 -0.147 0.000 2.253 291 M HA 0.431 4.911 4.480 -0.000 0.000 0.314 291 M C -1.514 174.704 176.300 -0.136 0.000 1.019 291 M CA -0.702 54.471 55.300 -0.211 0.000 0.932 291 M CB 1.820 34.203 32.600 -0.362 0.000 1.606 291 M HN 0.263 nan 8.290 nan 0.000 0.430 292 V N 5.137 124.980 119.914 -0.119 0.000 2.313 292 V HA 0.238 4.358 4.120 -0.000 0.000 0.252 292 V C 0.641 176.665 176.094 -0.118 0.000 1.112 292 V CA -0.308 61.931 62.300 -0.101 0.000 0.984 292 V CB 0.118 31.885 31.823 -0.094 0.000 1.157 292 V HN 0.872 nan 8.190 nan 0.000 0.493 293 A N 5.480 128.218 122.820 -0.137 0.000 2.906 293 A HA 0.275 4.595 4.320 -0.000 0.000 0.289 293 A C 1.527 179.035 177.584 -0.127 0.000 1.675 293 A CA -0.272 51.677 52.037 -0.147 0.000 1.372 293 A CB -0.379 18.501 19.000 -0.200 0.000 1.091 293 A HN 0.862 nan 8.150 nan 0.000 0.579 294 R N 1.608 122.052 120.500 -0.095 0.000 2.105 294 R HA -0.142 4.198 4.340 -0.000 0.000 0.239 294 R C 2.346 178.604 176.300 -0.071 0.000 1.135 294 R CA 1.552 57.606 56.100 -0.077 0.000 0.967 294 R CB -0.283 29.985 30.300 -0.054 0.000 0.861 294 R HN 0.709 nan 8.270 nan 0.000 0.442 295 G N 1.476 110.238 108.800 -0.063 0.000 2.628 295 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.217 295 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.217 295 G C 1.003 175.871 174.900 -0.054 0.000 1.240 295 G CA 1.386 46.460 45.100 -0.044 0.000 0.792 295 G HN 0.244 nan 8.290 nan 0.000 0.593 296 D N -0.064 120.290 120.400 -0.077 0.000 2.178 296 D HA -0.066 4.574 4.640 -0.000 0.000 0.201 296 D C 2.472 178.723 176.300 -0.081 0.000 0.980 296 D CA 0.624 54.584 54.000 -0.068 0.000 0.842 296 D CB -0.084 40.624 40.800 -0.154 0.000 0.948 296 D HN 0.186 nan 8.370 nan 0.000 0.472 297 L N 0.860 122.018 121.223 -0.109 0.000 2.141 297 L HA -0.001 4.339 4.340 -0.000 0.000 0.209 297 L C 2.198 179.004 176.870 -0.106 0.000 1.094 297 L CA 1.571 56.347 54.840 -0.106 0.000 0.763 297 L CB -0.671 41.321 42.059 -0.112 0.000 0.908 297 L HN -0.019 nan 8.230 nan 0.000 0.437 298 G N -0.983 107.760 108.800 -0.095 0.000 2.598 298 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.215 298 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.215 298 G C 1.296 176.115 174.900 -0.135 0.000 1.131 298 G CA 0.630 45.673 45.100 -0.095 0.000 0.785 298 G HN 0.353 nan 8.290 nan 0.000 0.539 299 I N -0.189 120.290 120.570 -0.152 0.000 3.039 299 I HA 0.153 4.323 4.170 -0.000 0.000 0.270 299 I C 2.238 178.207 176.117 -0.247 0.000 1.150 299 I CA 0.455 61.600 61.300 -0.259 0.000 1.448 299 I CB -0.512 37.372 38.000 -0.193 0.000 1.197 299 I HN 0.065 nan 8.210 nan 0.000 0.450 300 E N 1.599 121.723 120.200 -0.126 0.000 2.106 300 E HA -0.019 4.331 4.350 -0.000 0.000 0.192 300 E C 0.746 177.288 176.600 -0.098 0.000 0.984 300 E CA 0.750 57.109 56.400 -0.068 0.000 0.806 300 E CB 0.094 29.790 29.700 -0.007 0.000 0.750 300 E HN 0.596 nan 8.360 nan 0.000 0.458 301 I N -3.400 117.084 120.570 -0.143 0.000 2.785 301 I HA 0.509 4.679 4.170 -0.000 0.000 0.302 301 I C -2.518 173.512 176.117 -0.146 0.000 1.069 301 I CA -3.014 58.178 61.300 -0.179 0.000 1.045 301 I CB 2.285 40.119 38.000 -0.276 0.000 1.236 301 I HN -0.288 nan 8.210 nan 0.000 0.429 302 P HA -0.054 nan 4.420 nan 0.000 0.261 302 P C 0.663 177.923 177.300 -0.068 0.000 1.173 302 P CA 0.302 63.354 63.100 -0.080 0.000 0.760 302 P CB 1.023 32.692 31.700 -0.050 0.000 0.783 303 A N 4.703 127.492 122.820 -0.052 0.000 1.958 303 A HA -0.264 4.056 4.320 -0.000 0.000 0.221 303 A C 1.847 179.446 177.584 0.025 0.000 1.178 303 A CA 2.121 54.143 52.037 -0.024 0.000 0.642 303 A CB -1.053 17.935 19.000 -0.019 0.000 0.816 303 A HN 0.589 nan 8.150 nan 0.000 0.453 304 E N 0.265 120.488 120.200 0.039 0.000 2.265 304 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 304 E C 1.526 178.235 176.600 0.181 0.000 0.996 304 E CA 1.349 57.816 56.400 0.112 0.000 0.832 304 E CB -0.197 29.552 29.700 0.083 0.000 0.756 304 E HN 0.667 nan 8.360 nan 0.000 0.491 305 K N 0.341 120.756 120.400 0.026 0.000 2.404 305 K HA 0.121 4.441 4.320 -0.000 0.000 0.194 305 K C 1.378 177.863 176.600 -0.192 0.000 1.023 305 K CA 0.039 56.260 56.287 -0.110 0.000 1.094 305 K CB 0.505 32.923 32.500 -0.138 0.000 0.841 305 K HN -0.007 nan 8.250 nan 0.000 0.523 306 V N 1.462 121.337 119.914 -0.065 0.000 2.307 306 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 306 V C 2.021 178.055 176.094 -0.100 0.000 1.045 306 V CA 1.764 64.016 62.300 -0.080 0.000 1.024 306 V CB -0.635 31.177 31.823 -0.018 0.000 0.651 306 V HN 0.374 nan 8.190 nan 0.000 0.449 307 F N 0.151 120.058 119.950 -0.072 0.000 2.307 307 F HA -0.103 4.424 4.527 -0.000 0.000 0.301 307 F C 1.852 177.609 175.800 -0.073 0.000 1.076 307 F CA 1.300 59.260 58.000 -0.066 0.000 1.383 307 F CB -1.094 37.874 39.000 -0.053 0.000 1.055 307 F HN 0.072 nan 8.300 nan 0.000 0.526 308 L N 0.807 121.315 121.223 -1.192 0.000 2.005 308 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 308 L C 3.037 179.650 176.870 -0.428 0.000 1.072 308 L CA 1.277 55.594 54.840 -0.870 0.000 0.744 308 L CB -1.227 40.374 42.059 -0.763 0.000 0.895 308 L HN 0.316 nan 8.230 nan 0.000 0.433 309 A N -0.568 122.043 122.820 -0.349 0.000 1.908 309 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 309 A C 2.250 179.689 177.584 -0.242 0.000 1.181 309 A CA 1.973 53.850 52.037 -0.267 0.000 0.627 309 A CB -0.662 18.206 19.000 -0.220 0.000 0.818 309 A HN 0.523 nan 8.150 nan 0.000 0.445 310 Q N -0.149 119.539 119.800 -0.186 0.000 2.002 310 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 310 Q C 2.010 177.931 176.000 -0.132 0.000 0.988 310 Q CA 2.151 57.874 55.803 -0.133 0.000 0.843 310 Q CB -0.202 28.499 28.738 -0.061 0.000 0.908 310 Q HN 0.657 nan 8.270 nan 0.000 0.420 311 K N -0.072 120.264 120.400 -0.106 0.000 2.103 311 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 311 K C 2.180 178.703 176.600 -0.128 0.000 1.048 311 K CA 1.454 57.695 56.287 -0.077 0.000 0.930 311 K CB -0.212 32.272 32.500 -0.026 0.000 0.716 311 K HN 0.349 nan 8.250 nan 0.000 0.444 312 M N 0.664 120.147 119.600 -0.195 0.000 2.077 312 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 312 M C 1.970 178.074 176.300 -0.327 0.000 1.070 312 M CA 1.796 56.955 55.300 -0.235 0.000 1.125 312 M CB -0.280 32.158 32.600 -0.269 0.000 1.339 312 M HN 0.199 nan 8.290 nan 0.000 0.409 313 M N -0.057 119.279 119.600 -0.440 0.000 2.086 313 M HA -0.219 4.261 4.480 -0.000 0.000 0.261 313 M C 2.147 178.291 176.300 -0.260 0.000 1.067 313 M CA 1.546 56.475 55.300 -0.619 0.000 1.116 313 M CB -0.464 31.801 32.600 -0.559 0.000 1.348 313 M HN 0.273 nan 8.290 nan 0.000 0.407 314 I N -0.311 120.165 120.570 -0.156 0.000 2.163 314 I HA -0.230 3.940 4.170 -0.000 0.000 0.243 314 I C 2.560 178.650 176.117 -0.045 0.000 1.085 314 I CA 1.538 62.795 61.300 -0.071 0.000 1.347 314 I CB -1.051 36.918 38.000 -0.051 0.000 1.044 314 I HN 0.384 nan 8.210 nan 0.000 0.408 315 G N 0.682 109.447 108.800 -0.060 0.000 2.421 315 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 315 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 315 G C 1.796 176.689 174.900 -0.012 0.000 1.171 315 G CA 0.384 45.467 45.100 -0.028 0.000 0.775 315 G HN 0.301 nan 8.290 nan 0.000 0.543 316 R N -0.730 119.753 120.500 -0.029 0.000 2.148 316 R HA -0.017 4.323 4.340 -0.000 0.000 0.227 316 R C 2.544 178.908 176.300 0.108 0.000 1.103 316 R CA 0.931 57.060 56.100 0.049 0.000 0.983 316 R CB -0.511 29.841 30.300 0.086 0.000 0.874 316 R HN 0.386 nan 8.270 nan 0.000 0.451 317 C N 0.626 119.983 119.300 0.095 0.000 2.466 317 C HA 0.009 4.469 4.460 -0.000 0.000 0.278 317 C C 2.141 177.148 174.990 0.029 0.000 1.288 317 C CA 0.463 59.531 59.018 0.084 0.000 1.722 317 C CB -0.871 26.911 27.740 0.069 0.000 2.017 317 C HN 0.502 nan 8.230 nan 0.000 0.488 318 N N 0.662 119.373 118.700 0.018 0.000 2.166 318 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 318 N C 1.892 177.408 175.510 0.010 0.000 1.019 318 N CA 0.923 53.981 53.050 0.013 0.000 0.856 318 N CB -0.415 38.085 38.487 0.022 0.000 0.993 318 N HN 0.479 nan 8.380 nan 0.000 0.426 319 R N 0.231 120.743 120.500 0.021 0.000 2.075 319 R HA 0.093 4.433 4.340 -0.000 0.000 0.232 319 R C 1.521 177.829 176.300 0.013 0.000 1.126 319 R CA 1.183 57.295 56.100 0.020 0.000 0.963 319 R CB -0.129 30.190 30.300 0.031 0.000 0.858 319 R HN 0.218 nan 8.270 nan 0.000 0.435 320 A N -0.456 122.379 122.820 0.024 0.000 2.208 320 A HA 0.150 4.470 4.320 -0.000 0.000 0.209 320 A C 1.253 178.841 177.584 0.007 0.000 1.161 320 A CA 0.869 52.917 52.037 0.018 0.000 0.782 320 A CB -0.073 18.943 19.000 0.027 0.000 0.816 320 A HN 0.512 nan 8.150 nan 0.000 0.477 321 G N -0.551 108.247 108.800 -0.003 0.000 2.179 321 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 321 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 321 G C 0.058 174.984 174.900 0.043 0.000 1.010 321 G CA 0.724 45.829 45.100 0.008 0.000 0.736 321 G HN 0.581 nan 8.290 nan 0.000 0.513 322 K N 0.294 120.687 120.400 -0.011 0.000 2.207 322 K HA 0.474 4.794 4.320 -0.000 0.000 0.255 322 K C -2.587 173.904 176.600 -0.183 0.000 0.941 322 K CA -2.210 54.033 56.287 -0.073 0.000 0.825 322 K CB 2.013 34.482 32.500 -0.053 0.000 1.119 322 K HN -0.060 nan 8.250 nan 0.000 0.430 323 P HA -0.025 nan 4.420 nan 0.000 0.266 323 P C -1.116 176.056 177.300 -0.215 0.000 1.195 323 P CA -0.249 62.599 63.100 -0.420 0.000 0.768 323 P CB 0.627 31.954 31.700 -0.621 0.000 0.838 324 V N 5.195 125.010 119.914 -0.165 0.000 2.623 324 V HA 0.455 4.575 4.120 -0.000 0.000 0.304 324 V C -0.812 175.212 176.094 -0.117 0.000 1.054 324 V CA -0.750 61.485 62.300 -0.109 0.000 0.882 324 V CB 1.323 33.114 31.823 -0.054 0.000 1.002 324 V HN 0.302 nan 8.190 nan 0.000 0.424 325 I N 6.275 126.759 120.570 -0.142 0.000 2.354 325 I HA 0.416 4.586 4.170 -0.000 0.000 0.292 325 I C -0.084 175.958 176.117 -0.125 0.000 0.989 325 I CA -0.370 60.840 61.300 -0.151 0.000 1.188 325 I CB 1.504 39.352 38.000 -0.254 0.000 1.342 325 I HN 0.640 nan 8.210 nan 0.000 0.457 326 C N 7.138 126.385 119.300 -0.088 0.000 2.239 326 C HA 0.850 5.310 4.460 -0.000 0.000 0.325 326 C C 0.457 175.406 174.990 -0.069 0.000 1.231 326 C CA -0.140 58.835 59.018 -0.072 0.000 1.652 326 C CB -0.976 26.738 27.740 -0.044 0.000 2.284 326 C HN 0.871 nan 8.230 nan 0.000 0.499 327 A N 4.686 127.458 122.820 -0.080 0.000 2.435 327 A HA 0.948 5.268 4.320 -0.000 0.000 0.296 327 A C 0.034 177.590 177.584 -0.046 0.000 1.147 327 A CA -0.193 51.805 52.037 -0.064 0.000 0.775 327 A CB 0.929 19.874 19.000 -0.091 0.000 1.340 327 A HN 1.423 nan 8.150 nan 0.000 0.427 328 T N 0.939 115.479 114.554 -0.024 0.000 0.571 328 T HA -0.101 4.249 4.350 -0.000 0.000 0.771 328 T C 0.164 174.860 174.700 -0.006 0.000 0.992 328 T CA 0.884 62.977 62.100 -0.012 0.000 4.060 328 T CB -1.183 67.670 68.868 -0.025 0.000 2.294 328 T HN 1.389 nan 8.240 nan 0.000 0.396 329 Q N 0.108 119.912 119.800 0.006 0.000 2.406 329 Q HA -0.281 4.059 4.340 -0.000 0.000 0.236 329 Q C 1.646 177.649 176.000 0.005 0.000 0.799 329 Q CA 1.598 57.406 55.803 0.008 0.000 1.286 329 Q CB -1.061 27.679 28.738 0.004 0.000 1.615 329 Q HN 0.855 nan 8.270 nan 0.000 0.621 330 M N -0.493 119.109 119.600 0.003 0.000 2.267 330 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 330 M C 1.081 177.383 176.300 0.003 0.000 1.063 330 M CA 1.524 56.824 55.300 0.001 0.000 1.090 330 M CB 0.075 32.675 32.600 0.001 0.000 1.392 330 M HN 0.253 nan 8.290 nan 0.000 0.422 331 L N -0.844 120.384 121.223 0.009 0.000 3.165 331 L HA 0.157 4.497 4.340 -0.000 0.000 0.327 331 L C 1.043 177.923 176.870 0.016 0.000 1.294 331 L CA -0.423 54.423 54.840 0.009 0.000 0.838 331 L CB 0.315 42.380 42.059 0.011 0.000 1.274 331 L HN 0.027 nan 8.230 nan 0.000 0.590 332 E N 0.531 120.741 120.200 0.017 0.000 2.086 332 E HA -0.275 4.075 4.350 -0.000 0.000 0.200 332 E C 2.072 178.686 176.600 0.024 0.000 1.012 332 E CA 1.908 58.322 56.400 0.024 0.000 0.812 332 E CB 0.090 29.803 29.700 0.020 0.000 0.743 332 E HN 0.478 nan 8.360 nan 0.000 0.453 333 S N 0.476 116.183 115.700 0.012 0.000 2.389 333 S HA -0.217 4.253 4.470 -0.000 0.000 0.231 333 S C 1.913 176.518 174.600 0.008 0.000 1.052 333 S CA 1.678 59.881 58.200 0.005 0.000 1.053 333 S CB -0.210 62.983 63.200 -0.011 0.000 0.886 333 S HN 0.246 nan 8.310 nan 0.000 0.456 334 M N 0.464 120.067 119.600 0.006 0.000 2.700 334 M HA 0.051 4.531 4.480 -0.000 0.000 0.249 334 M C 1.570 177.929 176.300 0.099 0.000 1.082 334 M CA 0.636 55.943 55.300 0.012 0.000 1.077 334 M CB -0.425 32.178 32.600 0.004 0.000 1.477 334 M HN 0.407 nan 8.290 nan 0.000 0.529 335 I N 0.016 120.641 120.570 0.091 0.000 2.546 335 I HA -0.231 3.939 4.170 -0.000 0.000 0.255 335 I C 1.985 178.197 176.117 0.159 0.000 1.163 335 I CA 1.075 62.443 61.300 0.114 0.000 1.457 335 I CB -0.131 37.914 38.000 0.076 0.000 1.092 335 I HN 0.225 nan 8.210 nan 0.000 0.434 336 K N 0.266 120.756 120.400 0.150 0.000 2.450 336 K HA 0.299 4.619 4.320 -0.000 0.000 0.206 336 K C 0.004 176.735 176.600 0.218 0.000 1.148 336 K CA 0.236 56.633 56.287 0.183 0.000 1.014 336 K CB 0.966 33.527 32.500 0.102 0.000 0.966 336 K HN 0.197 nan 8.250 nan 0.000 0.566 337 K N 0.963 121.397 120.400 0.057 0.000 2.385 337 K HA 0.269 4.589 4.320 -0.000 0.000 0.248 337 K C -2.128 174.098 176.600 -0.624 0.000 0.955 337 K CA -1.892 54.286 56.287 -0.182 0.000 0.816 337 K CB 2.315 34.750 32.500 -0.108 0.000 1.250 337 K HN -0.300 nan 8.250 nan 0.000 0.434 338 P HA -0.055 nan 4.420 nan 0.000 0.231 338 P C -0.279 176.798 177.300 -0.372 0.000 1.168 338 P CA 0.778 63.323 63.100 -0.925 0.000 0.779 338 P CB 0.553 31.836 31.700 -0.695 0.000 0.844 339 R N 0.819 121.166 120.500 -0.254 0.000 2.589 339 R HA 0.510 4.850 4.340 -0.000 0.000 0.293 339 R C -2.416 173.824 176.300 -0.101 0.000 0.963 339 R CA -2.525 53.492 56.100 -0.137 0.000 0.905 339 R CB 1.034 31.273 30.300 -0.100 0.000 1.144 339 R HN 0.118 nan 8.270 nan 0.000 0.459 340 P HA 0.184 nan 4.420 nan 0.000 0.283 340 P C -0.327 176.951 177.300 -0.036 0.000 1.271 340 P CA -0.389 62.685 63.100 -0.044 0.000 0.841 340 P CB 0.967 32.649 31.700 -0.031 0.000 1.122 341 T N -0.757 113.781 114.554 -0.027 0.000 2.828 341 T HA 0.177 4.527 4.350 -0.000 0.000 0.290 341 T C 1.556 176.242 174.700 -0.023 0.000 1.019 341 T CA -0.574 61.512 62.100 -0.024 0.000 1.031 341 T CB 0.386 69.243 68.868 -0.019 0.000 1.001 341 T HN 0.209 nan 8.240 nan 0.000 0.531 342 R N 1.219 121.705 120.500 -0.023 0.000 2.105 342 R HA -0.057 4.283 4.340 -0.000 0.000 0.239 342 R C 2.648 178.934 176.300 -0.023 0.000 1.135 342 R CA 1.562 57.649 56.100 -0.023 0.000 0.967 342 R CB -1.736 28.550 30.300 -0.023 0.000 0.861 342 R HN 0.866 nan 8.270 nan 0.000 0.442 343 A N 1.344 124.150 122.820 -0.023 0.000 1.930 343 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 343 A C 2.008 179.580 177.584 -0.020 0.000 1.175 343 A CA 1.254 53.276 52.037 -0.025 0.000 0.627 343 A CB -0.233 18.752 19.000 -0.025 0.000 0.815 343 A HN 0.378 nan 8.150 nan 0.000 0.443 344 E N -0.565 119.625 120.200 -0.017 0.000 2.107 344 E HA -0.057 4.293 4.350 -0.000 0.000 0.191 344 E C 2.159 178.752 176.600 -0.012 0.000 0.982 344 E CA 0.626 57.019 56.400 -0.012 0.000 0.809 344 E CB -0.343 29.351 29.700 -0.011 0.000 0.756 344 E HN 0.587 nan 8.360 nan 0.000 0.459 345 G N 1.036 109.828 108.800 -0.014 0.000 2.433 345 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.216 345 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.216 345 G C 1.653 176.547 174.900 -0.011 0.000 1.186 345 G CA 1.054 46.147 45.100 -0.012 0.000 0.779 345 G HN 0.317 nan 8.290 nan 0.000 0.543 346 S N 0.447 116.138 115.700 -0.015 0.000 2.383 346 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 346 S C 2.066 176.659 174.600 -0.012 0.000 1.030 346 S CA 2.111 60.301 58.200 -0.016 0.000 1.002 346 S CB -0.482 62.703 63.200 -0.024 0.000 0.829 346 S HN 0.399 nan 8.310 nan 0.000 0.467 347 D N 0.389 120.782 120.400 -0.012 0.000 2.084 347 D HA -0.092 4.548 4.640 -0.000 0.000 0.194 347 D C 1.939 178.238 176.300 -0.001 0.000 0.990 347 D CA 1.617 55.613 54.000 -0.008 0.000 0.826 347 D CB -0.447 40.348 40.800 -0.008 0.000 0.971 347 D HN 0.309 nan 8.370 nan 0.000 0.453 348 V N 0.949 120.862 119.914 -0.001 0.000 2.255 348 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 348 V C 2.648 178.746 176.094 0.007 0.000 1.051 348 V CA 1.970 64.272 62.300 0.003 0.000 1.018 348 V CB -1.145 30.680 31.823 0.003 0.000 0.641 348 V HN 0.350 nan 8.190 nan 0.000 0.445 349 A N 0.351 123.174 122.820 0.006 0.000 1.917 349 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 349 A C 2.062 179.657 177.584 0.018 0.000 1.182 349 A CA 2.267 54.311 52.037 0.011 0.000 0.633 349 A CB -0.731 18.273 19.000 0.007 0.000 0.819 349 A HN 0.617 nan 8.150 nan 0.000 0.448 350 N N -0.032 118.678 118.700 0.016 0.000 2.331 350 N HA -0.035 4.705 4.740 -0.000 0.000 0.180 350 N C 1.827 177.353 175.510 0.027 0.000 1.019 350 N CA 1.207 54.273 53.050 0.025 0.000 0.881 350 N CB -0.360 38.138 38.487 0.019 0.000 0.972 350 N HN 0.504 nan 8.380 nan 0.000 0.435 351 A N 0.618 123.448 122.820 0.017 0.000 1.930 351 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 351 A C 2.493 180.086 177.584 0.015 0.000 1.175 351 A CA 0.928 52.972 52.037 0.012 0.000 0.627 351 A CB -0.540 18.461 19.000 0.002 0.000 0.815 351 A HN 0.072 nan 8.150 nan 0.000 0.443 352 V N 0.175 120.101 119.914 0.019 0.000 2.270 352 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 352 V C 2.555 178.668 176.094 0.030 0.000 1.043 352 V CA 1.920 64.234 62.300 0.024 0.000 1.014 352 V CB -0.764 31.074 31.823 0.026 0.000 0.645 352 V HN 0.575 nan 8.190 nan 0.000 0.447 353 L N -0.138 121.106 121.223 0.035 0.000 2.127 353 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 353 L C 2.315 179.218 176.870 0.055 0.000 1.089 353 L CA 1.499 56.367 54.840 0.046 0.000 0.757 353 L CB -0.771 41.325 42.059 0.063 0.000 0.899 353 L HN 0.353 nan 8.230 nan 0.000 0.434 354 D N 0.239 120.667 120.400 0.048 0.000 2.182 354 D HA -0.085 4.555 4.640 -0.000 0.000 0.201 354 D C 1.460 177.781 176.300 0.036 0.000 0.986 354 D CA 1.485 55.511 54.000 0.045 0.000 0.847 354 D CB -0.052 40.765 40.800 0.029 0.000 0.942 354 D HN 0.426 nan 8.370 nan 0.000 0.467 355 G N -0.542 108.276 108.800 0.030 0.000 2.327 355 G HA2 0.045 4.005 3.960 -0.000 0.000 0.159 355 G HA3 0.045 4.005 3.960 -0.000 0.000 0.159 355 G C 0.032 174.940 174.900 0.013 0.000 1.056 355 G CA 0.011 45.129 45.100 0.029 0.000 0.751 355 G HN 0.522 nan 8.290 nan 0.000 0.488 356 A N -0.197 122.626 122.820 0.005 0.000 2.310 356 A HA 0.694 5.014 4.320 -0.000 0.000 0.299 356 A C 1.103 178.680 177.584 -0.012 0.000 1.147 356 A CA 0.249 52.277 52.037 -0.015 0.000 0.818 356 A CB 0.591 19.578 19.000 -0.021 0.000 1.096 356 A HN 0.203 nan 8.150 nan 0.000 0.495 357 D N 0.425 120.803 120.400 -0.037 0.000 2.149 357 D HA -0.021 4.619 4.640 -0.000 0.000 0.201 357 D C 0.039 176.330 176.300 -0.015 0.000 0.972 357 D CA 1.382 55.363 54.000 -0.033 0.000 0.835 357 D CB 0.104 40.842 40.800 -0.105 0.000 0.966 357 D HN 0.505 nan 8.370 nan 0.000 0.476 358 C N 1.085 120.365 119.300 -0.034 0.000 2.698 358 C HA 0.543 5.003 4.460 -0.000 0.000 0.309 358 C C 0.204 175.178 174.990 -0.027 0.000 1.186 358 C CA -1.194 57.812 59.018 -0.019 0.000 1.474 358 C CB 1.573 29.299 27.740 -0.023 0.000 2.020 358 C HN 0.152 nan 8.230 nan 0.000 0.474 359 I N 0.788 121.352 120.570 -0.010 0.000 2.793 359 I HA 0.822 4.992 4.170 -0.000 0.000 0.313 359 I C -0.465 175.648 176.117 -0.006 0.000 0.998 359 I CA -0.668 60.626 61.300 -0.011 0.000 1.140 359 I CB 1.464 39.464 38.000 0.000 0.000 1.327 359 I HN 0.720 nan 8.210 nan 0.000 0.491 360 M N 3.628 123.224 119.600 -0.006 0.000 2.631 360 M HA 0.662 5.142 4.480 -0.000 0.000 0.288 360 M C -2.136 174.175 176.300 0.018 0.000 1.260 360 M CA -0.665 54.640 55.300 0.009 0.000 0.842 360 M CB 2.866 35.464 32.600 -0.004 0.000 1.743 360 M HN 0.629 nan 8.290 nan 0.000 0.461 361 L N 0.850 122.094 121.223 0.035 0.000 2.422 361 L HA 0.595 4.935 4.340 -0.000 0.000 0.264 361 L C -0.590 176.314 176.870 0.057 0.000 0.984 361 L CA -0.346 54.518 54.840 0.041 0.000 0.819 361 L CB 2.424 44.509 42.059 0.043 0.000 1.330 361 L HN 0.845 nan 8.230 nan 0.000 0.410 362 S N 0.445 116.180 115.700 0.057 0.000 3.385 362 S HA 0.178 4.648 4.470 -0.000 0.000 0.176 362 S C 1.488 176.132 174.600 0.073 0.000 0.851 362 S CA 0.401 58.645 58.200 0.072 0.000 1.039 362 S CB -0.273 62.968 63.200 0.068 0.000 1.241 362 S HN 0.852 nan 8.310 nan 0.000 0.859 363 G N 1.482 110.323 108.800 0.068 0.000 2.475 363 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 363 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 363 G C 1.036 175.975 174.900 0.066 0.000 1.125 363 G CA 1.414 46.554 45.100 0.067 0.000 0.755 363 G HN 0.522 nan 8.290 nan 0.000 0.565 364 E N -0.047 120.190 120.200 0.063 0.000 2.097 364 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 364 E C 2.686 179.330 176.600 0.074 0.000 1.000 364 E CA 1.902 58.343 56.400 0.068 0.000 0.804 364 E CB -0.264 29.471 29.700 0.057 0.000 0.740 364 E HN 0.618 nan 8.360 nan 0.000 0.454 365 T N -3.730 110.866 114.554 0.069 0.000 3.044 365 T HA 0.497 4.847 4.350 -0.000 0.000 0.260 365 T C 1.591 176.333 174.700 0.071 0.000 1.019 365 T CA 0.159 62.300 62.100 0.068 0.000 0.921 365 T CB 0.610 69.516 68.868 0.063 0.000 1.053 365 T HN 0.128 nan 8.240 nan 0.000 0.533 366 A N 2.854 125.719 122.820 0.076 0.000 1.984 366 A HA 0.274 4.594 4.320 -0.000 0.000 0.214 366 A C 2.065 179.692 177.584 0.072 0.000 1.173 366 A CA 0.981 53.069 52.037 0.085 0.000 0.673 366 A CB -0.104 18.955 19.000 0.099 0.000 0.830 366 A HN 0.653 nan 8.150 nan 0.000 0.453 367 K N -1.869 118.567 120.400 0.059 0.000 2.588 367 K HA 0.244 4.564 4.320 -0.000 0.000 0.216 367 K C 0.811 177.433 176.600 0.036 0.000 1.382 367 K CA 0.275 56.588 56.287 0.043 0.000 1.008 367 K CB -0.180 32.342 32.500 0.036 0.000 1.138 367 K HN 0.207 nan 8.250 nan 0.000 0.619 368 G N 1.318 110.148 108.800 0.051 0.000 2.699 368 G HA2 0.018 3.978 3.960 -0.000 0.000 0.246 368 G HA3 0.018 3.978 3.960 -0.000 0.000 0.246 368 G C -0.201 174.712 174.900 0.022 0.000 1.219 368 G CA -0.165 44.972 45.100 0.062 0.000 0.866 368 G HN 0.193 nan 8.290 nan 0.000 0.572 369 D N -0.842 119.559 120.400 0.001 0.000 2.328 369 D HA 0.082 4.721 4.640 -0.000 0.000 0.221 369 D C -0.294 175.714 176.300 -0.487 0.000 1.072 369 D CA 0.673 54.533 54.000 -0.233 0.000 0.850 369 D CB 0.298 40.905 40.800 -0.321 0.000 0.922 369 D HN 0.434 nan 8.370 nan 0.000 0.516 370 Y N -0.559 119.754 120.300 0.021 0.000 2.779 370 Y HA 0.157 4.707 4.550 -0.000 0.000 0.271 370 Y C -1.668 174.246 175.900 0.022 0.000 0.940 370 Y CA -1.315 56.797 58.100 0.020 0.000 1.112 370 Y CB 1.051 39.522 38.460 0.017 0.000 1.200 370 Y HN -0.114 nan 8.280 nan 0.000 0.643 371 P HA -0.233 nan 4.420 nan 0.000 0.215 371 P C 1.423 178.775 177.300 0.088 0.000 1.157 371 P CA 1.652 64.807 63.100 0.092 0.000 0.874 371 P CB 0.582 32.319 31.700 0.062 0.000 0.790 372 L N -0.732 120.543 121.223 0.087 0.000 2.083 372 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 372 L C 2.618 179.536 176.870 0.079 0.000 1.083 372 L CA 1.661 56.546 54.840 0.074 0.000 0.752 372 L CB -1.004 41.097 42.059 0.070 0.000 0.899 372 L HN -0.036 nan 8.230 nan 0.000 0.433 373 E N 0.149 120.416 120.200 0.112 0.000 2.208 373 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 373 E C 2.220 178.850 176.600 0.050 0.000 0.988 373 E CA 1.078 57.526 56.400 0.080 0.000 0.828 373 E CB -0.166 29.585 29.700 0.086 0.000 0.763 373 E HN 0.435 nan 8.360 nan 0.000 0.478 374 A N 0.378 123.238 122.820 0.067 0.000 1.855 374 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 374 A C 2.429 180.035 177.584 0.036 0.000 1.191 374 A CA 1.282 53.347 52.037 0.047 0.000 0.613 374 A CB -0.767 18.270 19.000 0.061 0.000 0.829 374 A HN 0.140 nan 8.150 nan 0.000 0.442 375 V N 0.263 120.201 119.914 0.041 0.000 2.287 375 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 375 V C 2.653 178.762 176.094 0.025 0.000 1.053 375 V CA 2.345 64.663 62.300 0.030 0.000 1.027 375 V CB -0.898 30.941 31.823 0.028 0.000 0.646 375 V HN 0.525 nan 8.190 nan 0.000 0.447 376 R N -0.885 119.632 120.500 0.029 0.000 2.105 376 R HA -0.194 4.145 4.340 -0.000 0.000 0.239 376 R C 2.236 178.547 176.300 0.018 0.000 1.135 376 R CA 1.810 57.924 56.100 0.024 0.000 0.967 376 R CB -0.448 29.868 30.300 0.028 0.000 0.861 376 R HN 0.376 nan 8.270 nan 0.000 0.442 377 M N 1.090 120.699 119.600 0.016 0.000 2.175 377 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 377 M C 1.816 178.122 176.300 0.010 0.000 1.063 377 M CA 1.735 57.040 55.300 0.008 0.000 1.119 377 M CB -0.065 32.536 32.600 0.001 0.000 1.377 377 M HN 0.059 nan 8.290 nan 0.000 0.415 378 Q N -0.886 118.922 119.800 0.014 0.000 2.083 378 Q HA -0.170 4.170 4.340 -0.000 0.000 0.198 378 Q C 1.917 177.927 176.000 0.017 0.000 0.969 378 Q CA 1.590 57.401 55.803 0.014 0.000 0.838 378 Q CB -0.390 28.357 28.738 0.015 0.000 0.900 378 Q HN 0.654 nan 8.270 nan 0.000 0.436 379 N N 0.949 119.661 118.700 0.019 0.000 2.036 379 N HA -0.183 4.557 4.740 -0.000 0.000 0.195 379 N C 1.689 177.211 175.510 0.020 0.000 1.037 379 N CA 1.279 54.343 53.050 0.023 0.000 0.855 379 N CB -0.213 38.289 38.487 0.026 0.000 1.033 379 N HN 0.130 nan 8.380 nan 0.000 0.423 380 L N 0.047 121.280 121.223 0.016 0.000 1.989 380 L HA -0.178 4.161 4.340 -0.000 0.000 0.211 380 L C 2.293 179.169 176.870 0.011 0.000 1.071 380 L CA 1.229 56.076 54.840 0.012 0.000 0.749 380 L CB -0.561 41.503 42.059 0.009 0.000 0.890 380 L HN 0.292 nan 8.230 nan 0.000 0.431 381 I N -0.135 120.440 120.570 0.009 0.000 2.163 381 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 381 I C 2.839 178.964 176.117 0.013 0.000 1.081 381 I CA 1.152 62.457 61.300 0.008 0.000 1.353 381 I CB -0.547 37.457 38.000 0.006 0.000 1.054 381 I HN 0.190 nan 8.210 nan 0.000 0.407 382 A N 0.666 123.496 122.820 0.016 0.000 1.986 382 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 382 A C 2.418 180.016 177.584 0.023 0.000 1.171 382 A CA 1.902 53.952 52.037 0.021 0.000 0.640 382 A CB -0.685 18.330 19.000 0.024 0.000 0.811 382 A HN 0.347 nan 8.150 nan 0.000 0.451 383 R N -0.659 119.853 120.500 0.019 0.000 2.066 383 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 383 R C 2.107 178.419 176.300 0.021 0.000 1.131 383 R CA 1.365 57.475 56.100 0.016 0.000 0.955 383 R CB -0.165 30.142 30.300 0.010 0.000 0.851 383 R HN 0.495 nan 8.270 nan 0.000 0.432 384 E N 0.266 120.477 120.200 0.018 0.000 2.058 384 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 384 E C 1.882 178.496 176.600 0.024 0.000 0.997 384 E CA 1.458 57.869 56.400 0.017 0.000 0.801 384 E CB -0.285 29.420 29.700 0.009 0.000 0.746 384 E HN 0.433 nan 8.360 nan 0.000 0.450 385 A N 1.339 124.173 122.820 0.023 0.000 1.877 385 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 385 A C 2.060 179.668 177.584 0.039 0.000 1.186 385 A CA 1.658 53.712 52.037 0.027 0.000 0.620 385 A CB -0.602 18.413 19.000 0.024 0.000 0.822 385 A HN 0.203 nan 8.150 nan 0.000 0.443 386 E N -0.366 119.862 120.200 0.046 0.000 2.187 386 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 386 E C 2.061 178.725 176.600 0.108 0.000 1.004 386 E CA 1.167 57.608 56.400 0.070 0.000 0.813 386 E CB -0.248 29.491 29.700 0.065 0.000 0.736 386 E HN 0.645 nan 8.360 nan 0.000 0.468 387 A N 0.482 123.358 122.820 0.093 0.000 2.067 387 A HA 0.141 4.461 4.320 -0.000 0.000 0.217 387 A C 2.141 179.799 177.584 0.124 0.000 1.156 387 A CA 1.045 53.157 52.037 0.125 0.000 0.683 387 A CB -0.058 18.992 19.000 0.083 0.000 0.808 387 A HN 0.256 nan 8.150 nan 0.000 0.455 388 A N -0.514 122.352 122.820 0.078 0.000 2.251 388 A HA 0.374 4.694 4.320 -0.000 0.000 0.209 388 A C 0.835 178.499 177.584 0.133 0.000 1.187 388 A CA -0.277 51.810 52.037 0.083 0.000 0.823 388 A CB -0.437 18.576 19.000 0.021 0.000 0.846 388 A HN 0.453 nan 8.150 nan 0.000 0.486 389 I N -0.588 119.973 120.570 -0.015 0.000 2.813 389 I HA -0.112 4.058 4.170 -0.000 0.000 0.287 389 I C 0.396 176.336 176.117 -0.295 0.000 1.196 389 I CA 0.163 61.347 61.300 -0.194 0.000 1.421 389 I CB 0.387 38.139 38.000 -0.413 0.000 1.365 389 I HN 0.369 nan 8.210 nan 0.000 0.591 390 Y N 6.509 126.498 120.300 -0.518 0.000 2.817 390 Y HA 0.168 4.718 4.550 -0.000 0.000 0.339 390 Y C 1.412 177.038 175.900 -0.456 0.000 1.281 390 Y CA -0.584 57.066 58.100 -0.749 0.000 1.564 390 Y CB -0.668 37.210 38.460 -0.970 0.000 1.628 390 Y HN 0.483 nan 8.280 nan 0.000 0.489 391 H N 1.651 120.558 119.070 -0.272 0.000 2.321 391 H HA -0.250 4.306 4.556 -0.000 0.000 0.295 391 H C 2.107 177.145 175.328 -0.484 0.000 1.102 391 H CA 2.005 57.892 56.048 -0.269 0.000 1.266 391 H CB -0.340 29.313 29.762 -0.181 0.000 1.363 391 H HN 0.561 nan 8.280 nan 0.000 0.492 392 L N 1.193 122.068 121.223 -0.581 0.000 2.010 392 L HA -0.287 4.053 4.340 -0.000 0.000 0.219 392 L C 2.590 179.136 176.870 -0.541 0.000 1.077 392 L CA 2.279 56.750 54.840 -0.615 0.000 0.773 392 L CB -0.907 40.702 42.059 -0.750 0.000 0.892 392 L HN 0.290 nan 8.230 nan 0.000 0.436 393 Q N -1.659 117.651 119.800 -0.816 0.000 2.137 393 Q HA -0.167 4.173 4.340 -0.000 0.000 0.198 393 Q C 2.246 178.162 176.000 -0.140 0.000 0.960 393 Q CA 1.372 56.958 55.803 -0.361 0.000 0.847 393 Q CB -0.180 28.475 28.738 -0.139 0.000 0.915 393 Q HN 0.522 nan 8.270 nan 0.000 0.448 394 L N 0.366 121.517 121.223 -0.121 0.000 2.017 394 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 394 L C 2.013 178.964 176.870 0.135 0.000 1.073 394 L CA 1.823 56.684 54.840 0.035 0.000 0.745 394 L CB -0.900 41.193 42.059 0.058 0.000 0.894 394 L HN 0.394 nan 8.230 nan 0.000 0.432 395 F N -0.168 119.754 119.950 -0.046 0.000 2.095 395 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 395 F C 2.520 178.322 175.800 0.004 0.000 1.104 395 F CA 1.474 59.486 58.000 0.020 0.000 1.232 395 F CB 0.029 38.956 39.000 -0.120 0.000 0.987 395 F HN 0.166 nan 8.300 nan 0.000 0.475 396 E N 0.900 121.013 120.200 -0.146 0.000 2.038 396 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 396 E C 2.048 178.566 176.600 -0.137 0.000 1.000 396 E CA 1.903 58.173 56.400 -0.218 0.000 0.803 396 E CB -0.390 29.222 29.700 -0.147 0.000 0.750 396 E HN 0.605 nan 8.360 nan 0.000 0.448 397 E N 0.272 120.441 120.200 -0.052 0.000 2.106 397 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 397 E C 2.469 179.075 176.600 0.009 0.000 0.984 397 E CA 0.556 56.950 56.400 -0.011 0.000 0.806 397 E CB -0.168 29.546 29.700 0.023 0.000 0.750 397 E HN 0.229 nan 8.360 nan 0.000 0.458 398 L N 0.758 122.008 121.223 0.045 0.000 2.046 398 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 398 L C 2.683 179.619 176.870 0.109 0.000 1.077 398 L CA 1.277 56.179 54.840 0.103 0.000 0.747 398 L CB -0.303 41.886 42.059 0.217 0.000 0.896 398 L HN 0.065 nan 8.230 nan 0.000 0.432 399 R N -0.464 120.041 120.500 0.009 0.000 2.081 399 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 399 R C 2.435 178.720 176.300 -0.025 0.000 1.131 399 R CA 1.180 57.254 56.100 -0.043 0.000 0.960 399 R CB -0.278 29.822 30.300 -0.335 0.000 0.856 399 R HN 0.373 nan 8.270 nan 0.000 0.436 400 R N 0.596 121.067 120.500 -0.048 0.000 2.062 400 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 400 R C 2.329 178.632 176.300 0.004 0.000 1.136 400 R CA 1.120 57.203 56.100 -0.027 0.000 0.948 400 R CB -0.386 29.895 30.300 -0.032 0.000 0.845 400 R HN 0.190 nan 8.270 nan 0.000 0.430 401 L N 1.026 122.259 121.223 0.016 0.000 2.456 401 L HA 0.011 4.351 4.340 -0.000 0.000 0.224 401 L C 0.821 177.714 176.870 0.038 0.000 1.148 401 L CA -0.264 54.591 54.840 0.025 0.000 0.825 401 L CB -0.280 41.795 42.059 0.027 0.000 0.937 401 L HN 0.143 nan 8.230 nan 0.000 0.450 402 A N 0.697 123.553 122.820 0.060 0.000 2.454 402 A HA 0.362 4.682 4.320 -0.000 0.000 0.260 402 A C -1.998 175.626 177.584 0.068 0.000 1.106 402 A CA -1.101 50.987 52.037 0.086 0.000 0.780 402 A CB -0.407 18.705 19.000 0.188 0.000 1.044 402 A HN 0.002 nan 8.150 nan 0.000 0.498 403 P HA 0.145 nan 4.420 nan 0.000 0.270 403 P C -0.422 176.908 177.300 0.050 0.000 1.227 403 P CA -0.012 63.116 63.100 0.045 0.000 0.788 403 P CB 0.290 32.014 31.700 0.040 0.000 0.926 404 I N 0.263 120.855 120.570 0.036 0.000 2.496 404 I HA 0.312 4.482 4.170 -0.000 0.000 0.285 404 I C 0.876 177.015 176.117 0.037 0.000 1.080 404 I CA 0.423 61.743 61.300 0.033 0.000 1.404 404 I CB 0.609 38.622 38.000 0.021 0.000 1.403 404 I HN 0.247 nan 8.210 nan 0.000 0.539 405 T N 2.593 117.172 114.554 0.041 0.000 2.894 405 T HA 0.353 4.703 4.350 -0.000 0.000 0.309 405 T C 0.125 174.846 174.700 0.036 0.000 1.208 405 T CA -0.559 61.566 62.100 0.042 0.000 1.016 405 T CB 1.456 70.358 68.868 0.058 0.000 1.192 405 T HN 0.652 nan 8.240 nan 0.000 0.491 406 S N 1.487 117.207 115.700 0.033 0.000 2.664 406 S HA 0.256 4.726 4.470 -0.000 0.000 0.245 406 S C -0.107 174.514 174.600 0.035 0.000 1.019 406 S CA -0.557 57.661 58.200 0.029 0.000 0.996 406 S CB 0.044 63.258 63.200 0.023 0.000 0.878 406 S HN 0.683 nan 8.310 nan 0.000 0.493 407 D N 2.848 123.272 120.400 0.041 0.000 2.336 407 D HA 0.313 4.953 4.640 -0.000 0.000 0.249 407 D C -1.687 174.644 176.300 0.053 0.000 1.213 407 D CA -2.168 51.857 54.000 0.043 0.000 0.870 407 D CB 1.495 42.320 40.800 0.041 0.000 1.076 407 D HN -0.018 nan 8.370 nan 0.000 0.483 408 P HA -0.193 nan 4.420 nan 0.000 0.217 408 P C 1.281 178.628 177.300 0.079 0.000 1.151 408 P CA 1.950 65.094 63.100 0.072 0.000 0.849 408 P CB 0.058 31.820 31.700 0.103 0.000 0.787 409 T N -3.182 111.416 114.554 0.074 0.000 2.821 409 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 409 T C 1.804 176.554 174.700 0.083 0.000 1.046 409 T CA 1.231 63.374 62.100 0.072 0.000 1.139 409 T CB -0.802 68.091 68.868 0.043 0.000 0.871 409 T HN 0.027 nan 8.240 nan 0.000 0.454 410 E N 2.066 122.320 120.200 0.090 0.000 2.031 410 E HA 0.064 4.414 4.350 -0.000 0.000 0.193 410 E C 2.423 179.082 176.600 0.099 0.000 0.994 410 E CA 1.436 57.916 56.400 0.134 0.000 0.800 410 E CB -0.895 28.883 29.700 0.129 0.000 0.752 410 E HN 0.592 nan 8.360 nan 0.000 0.447 411 A N -0.466 122.390 122.820 0.060 0.000 1.902 411 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 411 A C 2.428 180.021 177.584 0.015 0.000 1.181 411 A CA 2.199 54.250 52.037 0.024 0.000 0.623 411 A CB -1.070 17.945 19.000 0.025 0.000 0.818 411 A HN 0.364 nan 8.150 nan 0.000 0.443 412 T N 0.246 114.824 114.554 0.040 0.000 2.746 412 T HA 0.002 4.352 4.350 -0.000 0.000 0.267 412 T C 2.225 176.943 174.700 0.030 0.000 1.039 412 T CA 1.514 63.638 62.100 0.040 0.000 1.142 412 T CB -0.438 68.468 68.868 0.064 0.000 0.866 412 T HN 0.604 nan 8.240 nan 0.000 0.444 413 A N 1.160 124.012 122.820 0.054 0.000 1.877 413 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 413 A C 2.596 180.175 177.584 -0.008 0.000 1.186 413 A CA 1.525 53.608 52.037 0.077 0.000 0.620 413 A CB -1.083 18.032 19.000 0.192 0.000 0.822 413 A HN 0.348 nan 8.150 nan 0.000 0.443 414 V N 0.133 119.954 119.914 -0.155 0.000 2.287 414 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 414 V C 2.849 178.899 176.094 -0.073 0.000 1.053 414 V CA 1.988 64.090 62.300 -0.331 0.000 1.027 414 V CB -1.706 29.863 31.823 -0.424 0.000 0.646 414 V HN 0.615 nan 8.190 nan 0.000 0.447 415 G N -0.260 108.516 108.800 -0.040 0.000 2.469 415 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 415 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 415 G C 1.770 176.663 174.900 -0.012 0.000 1.150 415 G CA 1.312 46.409 45.100 -0.005 0.000 0.763 415 G HN 0.637 nan 8.290 nan 0.000 0.561 416 A N 0.037 122.841 122.820 -0.027 0.000 1.858 416 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 416 A C 2.646 180.163 177.584 -0.111 0.000 1.190 416 A CA 2.008 54.013 52.037 -0.053 0.000 0.617 416 A CB -0.784 18.193 19.000 -0.037 0.000 0.827 416 A HN 0.287 nan 8.150 nan 0.000 0.443 417 V N 0.219 120.060 119.914 -0.123 0.000 2.255 417 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 417 V C 2.650 178.566 176.094 -0.298 0.000 1.051 417 V CA 2.570 64.697 62.300 -0.289 0.000 1.018 417 V CB -0.841 30.848 31.823 -0.223 0.000 0.641 417 V HN 0.760 nan 8.190 nan 0.000 0.445 418 E N 0.914 121.107 120.200 -0.012 0.000 2.097 418 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 418 E C 2.073 178.711 176.600 0.064 0.000 1.000 418 E CA 1.980 58.480 56.400 0.166 0.000 0.804 418 E CB -0.581 29.272 29.700 0.254 0.000 0.740 418 E HN 0.518 nan 8.360 nan 0.000 0.454 419 A N 0.257 123.072 122.820 -0.009 0.000 1.902 419 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 419 A C 2.428 179.965 177.584 -0.078 0.000 1.181 419 A CA 2.463 54.482 52.037 -0.030 0.000 0.623 419 A CB -1.089 17.886 19.000 -0.041 0.000 0.818 419 A HN 0.469 nan 8.150 nan 0.000 0.443 420 S N -0.943 114.651 115.700 -0.176 0.000 2.382 420 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 420 S C 1.808 176.253 174.600 -0.257 0.000 1.027 420 S CA 1.412 59.454 58.200 -0.265 0.000 0.991 420 S CB -0.869 62.085 63.200 -0.410 0.000 0.823 420 S HN 0.474 nan 8.310 nan 0.000 0.469 421 F N 1.946 121.777 119.950 -0.199 0.000 2.206 421 F HA 0.100 4.627 4.527 -0.000 0.000 0.298 421 F C 2.676 178.407 175.800 -0.115 0.000 1.090 421 F CA 1.039 58.922 58.000 -0.194 0.000 1.323 421 F CB -0.179 38.674 39.000 -0.245 0.000 1.028 421 F HN 0.179 nan 8.300 nan 0.000 0.492 422 K N 0.935 121.396 120.400 0.102 0.000 2.063 422 K HA -0.187 4.132 4.320 -0.000 0.000 0.208 422 K C 1.666 178.275 176.600 0.016 0.000 1.048 422 K CA 1.928 58.246 56.287 0.051 0.000 0.928 422 K CB -0.718 31.803 32.500 0.035 0.000 0.713 422 K HN 0.412 nan 8.250 nan 0.000 0.442 423 C N -2.391 116.902 119.300 -0.012 0.000 2.884 423 C HA 0.447 4.907 4.460 -0.000 0.000 0.287 423 C C 0.640 175.609 174.990 -0.034 0.000 1.310 423 C CA -0.791 58.212 59.018 -0.026 0.000 1.725 423 C CB -1.871 25.845 27.740 -0.041 0.000 2.060 423 C HN 0.459 nan 8.230 nan 0.000 0.618 424 C N 3.539 122.819 119.300 -0.033 0.000 4.235 424 C HA -0.136 4.323 4.460 -0.000 0.000 0.301 424 C C 1.260 176.212 174.990 -0.063 0.000 1.409 424 C CA 1.002 59.996 59.018 -0.040 0.000 2.024 424 C CB -3.390 24.344 27.740 -0.011 0.000 1.286 424 C HN 1.036 nan 8.230 nan 0.000 0.746 425 S N 0.157 115.798 115.700 -0.098 0.000 2.558 425 S HA 0.349 4.819 4.470 -0.000 0.000 0.287 425 S C 1.445 175.995 174.600 -0.083 0.000 1.321 425 S CA 0.372 58.507 58.200 -0.108 0.000 1.048 425 S CB 1.365 64.480 63.200 -0.140 0.000 0.844 425 S HN 1.114 nan 8.310 nan 0.000 0.512 426 G N 1.640 110.408 108.800 -0.053 0.000 2.471 426 G HA2 0.405 4.365 3.960 -0.000 0.000 0.219 426 G HA3 0.405 4.365 3.960 -0.000 0.000 0.219 426 G C 0.440 175.436 174.900 0.160 0.000 1.125 426 G CA 0.494 45.655 45.100 0.102 0.000 0.775 426 G HN 1.485 nan 8.290 nan 0.000 0.548 427 A N -1.388 121.441 122.820 0.016 0.000 2.483 427 A HA 0.653 4.973 4.320 -0.000 0.000 0.294 427 A C -1.855 175.699 177.584 -0.049 0.000 1.077 427 A CA -0.694 51.369 52.037 0.044 0.000 0.633 427 A CB 0.306 19.495 19.000 0.315 0.000 1.318 427 A HN 0.203 nan 8.150 nan 0.000 0.455 428 I N 1.266 121.821 120.570 -0.025 0.000 2.521 428 I HA 0.311 4.481 4.170 -0.000 0.000 0.277 428 I C -0.965 175.153 176.117 0.001 0.000 1.054 428 I CA -0.112 61.160 61.300 -0.047 0.000 1.117 428 I CB 1.201 39.157 38.000 -0.073 0.000 1.217 428 I HN 0.476 nan 8.210 nan 0.000 0.469 429 I N 6.580 127.152 120.570 0.003 0.000 2.471 429 I HA 0.235 4.405 4.170 -0.000 0.000 0.286 429 I C -0.340 175.784 176.117 0.011 0.000 1.079 429 I CA -0.250 61.066 61.300 0.027 0.000 1.398 429 I CB 1.010 39.023 38.000 0.021 0.000 1.403 429 I HN 0.175 nan 8.210 nan 0.000 0.530 430 V N 7.530 127.455 119.914 0.019 0.000 2.577 430 V HA 0.328 4.448 4.120 -0.000 0.000 0.303 430 V C -0.353 175.746 176.094 0.009 0.000 1.042 430 V CA -0.710 61.594 62.300 0.007 0.000 0.872 430 V CB 1.881 33.701 31.823 -0.005 0.000 0.998 430 V HN 0.356 nan 8.190 nan 0.000 0.423 431 L N 3.886 125.115 121.223 0.010 0.000 2.265 431 L HA 0.732 5.072 4.340 -0.000 0.000 0.288 431 L C 0.329 177.205 176.870 0.009 0.000 1.058 431 L CA 0.818 55.667 54.840 0.016 0.000 0.809 431 L CB 1.458 43.525 42.059 0.012 0.000 1.179 431 L HN 0.868 nan 8.230 nan 0.000 0.429 432 T N 2.164 116.718 114.554 -0.001 0.000 2.956 432 T HA 0.394 4.744 4.350 -0.000 0.000 0.312 432 T C 0.575 175.264 174.700 -0.018 0.000 1.151 432 T CA -0.594 61.489 62.100 -0.028 0.000 1.024 432 T CB 1.079 69.889 68.868 -0.096 0.000 1.140 432 T HN 0.656 nan 8.240 nan 0.000 0.473 433 K N 1.271 121.662 120.400 -0.015 0.000 2.078 433 K HA 0.074 4.394 4.320 -0.000 0.000 0.203 433 K C 2.265 178.849 176.600 -0.026 0.000 1.043 433 K CA 1.154 57.439 56.287 -0.003 0.000 0.960 433 K CB -0.044 32.464 32.500 0.014 0.000 0.761 433 K HN 0.631 nan 8.250 nan 0.000 0.448 434 S N -0.717 114.951 115.700 -0.054 0.000 2.478 434 S HA 0.157 4.627 4.470 -0.000 0.000 0.222 434 S C 1.602 176.120 174.600 -0.136 0.000 1.008 434 S CA 0.587 58.749 58.200 -0.063 0.000 0.928 434 S CB 0.544 63.711 63.200 -0.056 0.000 0.781 434 S HN 0.492 nan 8.310 nan 0.000 0.518 435 G N 1.924 110.576 108.800 -0.247 0.000 2.284 435 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 435 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 435 G C 1.071 175.388 174.900 -0.972 0.000 1.009 435 G CA 0.162 44.948 45.100 -0.524 0.000 0.625 435 G HN 0.408 nan 8.290 nan 0.000 0.501 436 R N 0.998 121.113 120.500 -0.641 0.000 2.134 436 R HA -0.150 4.190 4.340 -0.000 0.000 0.248 436 R C 2.725 178.852 176.300 -0.288 0.000 1.143 436 R CA 2.094 57.946 56.100 -0.413 0.000 0.957 436 R CB -0.600 29.620 30.300 -0.134 0.000 0.867 436 R HN 0.469 nan 8.270 nan 0.000 0.441 437 S N 0.459 116.031 115.700 -0.214 0.000 2.370 437 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 437 S C 2.051 176.584 174.600 -0.111 0.000 1.033 437 S CA 1.329 59.464 58.200 -0.108 0.000 1.011 437 S CB -0.161 63.000 63.200 -0.065 0.000 0.852 437 S HN 0.529 nan 8.310 nan 0.000 0.457 438 A N 1.357 124.054 122.820 -0.204 0.000 1.968 438 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 438 A C 1.774 179.293 177.584 -0.107 0.000 1.169 438 A CA 1.073 53.027 52.037 -0.139 0.000 0.638 438 A CB -0.669 18.242 19.000 -0.147 0.000 0.812 438 A HN 0.463 nan 8.150 nan 0.000 0.446 439 H N 0.287 119.196 119.070 -0.268 0.000 2.293 439 H HA -0.140 4.416 4.556 -0.000 0.000 0.300 439 H C 2.140 177.395 175.328 -0.120 0.000 1.082 439 H CA 1.831 57.632 56.048 -0.413 0.000 1.308 439 H CB -0.746 28.692 29.762 -0.540 0.000 1.375 439 H HN 0.661 nan 8.280 nan 0.000 0.495 440 Q N 0.034 119.876 119.800 0.072 0.000 2.197 440 Q HA -0.100 4.240 4.340 -0.000 0.000 0.207 440 Q C 2.472 178.580 176.000 0.180 0.000 0.984 440 Q CA 1.400 57.266 55.803 0.104 0.000 0.869 440 Q CB -0.069 28.742 28.738 0.122 0.000 0.906 440 Q HN 0.206 nan 8.270 nan 0.000 0.426 441 V N 0.669 120.667 119.914 0.141 0.000 2.453 441 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 441 V C 2.218 178.408 176.094 0.161 0.000 1.048 441 V CA 1.634 64.036 62.300 0.169 0.000 1.049 441 V CB -0.783 31.082 31.823 0.070 0.000 0.672 441 V HN 0.400 nan 8.190 nan 0.000 0.457 442 A N 1.425 124.315 122.820 0.116 0.000 1.902 442 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 442 A C 2.320 179.974 177.584 0.117 0.000 1.181 442 A CA 1.912 54.027 52.037 0.131 0.000 0.623 442 A CB -0.584 18.530 19.000 0.190 0.000 0.818 442 A HN 0.680 nan 8.150 nan 0.000 0.443 443 R N -1.993 118.536 120.500 0.049 0.000 2.249 443 R HA -0.147 4.193 4.340 -0.000 0.000 0.230 443 R C 0.702 176.886 176.300 -0.194 0.000 1.121 443 R CA 1.737 57.780 56.100 -0.094 0.000 0.997 443 R CB -0.556 29.612 30.300 -0.220 0.000 0.867 443 R HN 0.502 nan 8.270 nan 0.000 0.465 444 Y N 1.054 121.456 120.300 0.170 0.000 2.493 444 Y HA 0.308 4.858 4.550 -0.000 0.000 0.275 444 Y C -0.002 176.038 175.900 0.234 0.000 1.183 444 Y CA -0.675 57.574 58.100 0.249 0.000 1.258 444 Y CB 0.357 38.999 38.460 0.303 0.000 1.108 444 Y HN -0.094 nan 8.280 nan 0.000 0.521 445 R N 0.468 121.113 120.500 0.243 0.000 2.965 445 R HA -0.171 4.169 4.340 -0.000 0.000 0.245 445 R C -2.889 173.505 176.300 0.156 0.000 0.861 445 R CA 0.209 56.432 56.100 0.204 0.000 0.614 445 R CB -1.860 28.585 30.300 0.241 0.000 1.229 445 R HN 0.301 nan 8.270 nan 0.000 0.503 446 P HA 0.111 nan 4.420 nan 0.000 0.276 446 P C 0.505 177.585 177.300 -0.367 0.000 1.252 446 P CA -0.474 62.342 63.100 -0.474 0.000 0.802 446 P CB 0.725 32.115 31.700 -0.516 0.000 1.035 447 R N 1.340 121.468 120.500 -0.619 0.000 2.119 447 R HA 0.088 4.428 4.340 -0.000 0.000 0.222 447 R C 0.829 176.972 176.300 -0.262 0.000 1.088 447 R CA 0.519 56.369 56.100 -0.417 0.000 0.984 447 R CB -0.428 29.568 30.300 -0.507 0.000 0.884 447 R HN 0.593 nan 8.270 nan 0.000 0.447 448 A N 2.384 125.012 122.820 -0.319 0.000 2.386 448 A HA 0.348 4.668 4.320 -0.000 0.000 0.248 448 A C -2.250 175.225 177.584 -0.182 0.000 1.082 448 A CA -1.492 50.411 52.037 -0.224 0.000 0.789 448 A CB 0.078 18.948 19.000 -0.217 0.000 1.025 448 A HN 0.252 nan 8.150 nan 0.000 0.490 449 P HA 0.221 nan 4.420 nan 0.000 0.271 449 P C -0.822 176.441 177.300 -0.061 0.000 1.218 449 P CA 0.230 63.225 63.100 -0.175 0.000 0.780 449 P CB 0.534 31.976 31.700 -0.430 0.000 0.901 450 I N 3.692 124.264 120.570 0.004 0.000 2.310 450 I HA 0.255 4.425 4.170 -0.000 0.000 0.287 450 I C 0.752 176.934 176.117 0.108 0.000 1.073 450 I CA -0.579 60.743 61.300 0.038 0.000 1.216 450 I CB 0.109 38.130 38.000 0.035 0.000 1.415 450 I HN 0.117 nan 8.210 nan 0.000 0.480 451 I N 6.049 126.700 120.570 0.135 0.000 2.389 451 I HA 0.163 4.333 4.170 -0.000 0.000 0.295 451 I C 0.851 177.032 176.117 0.107 0.000 1.117 451 I CA 0.040 61.457 61.300 0.194 0.000 1.317 451 I CB 0.422 38.547 38.000 0.209 0.000 1.431 451 I HN 0.580 nan 8.210 nan 0.000 0.521 452 A N 7.338 130.207 122.820 0.081 0.000 2.279 452 A HA 0.524 4.844 4.320 -0.000 0.000 0.306 452 A C -0.185 177.415 177.584 0.028 0.000 1.300 452 A CA -0.393 51.658 52.037 0.025 0.000 0.925 452 A CB 0.411 19.400 19.000 -0.018 0.000 1.152 452 A HN 0.466 nan 8.150 nan 0.000 0.544 453 V N 3.017 122.956 119.914 0.041 0.000 2.432 453 V HA 0.629 4.749 4.120 -0.000 0.000 0.275 453 V C 0.602 176.747 176.094 0.085 0.000 1.043 453 V CA 0.089 62.441 62.300 0.086 0.000 0.925 453 V CB 1.148 33.042 31.823 0.118 0.000 0.985 453 V HN 0.981 nan 8.190 nan 0.000 0.466 454 T N 4.254 118.875 114.554 0.111 0.000 2.868 454 T HA 0.446 4.796 4.350 -0.000 0.000 0.306 454 T C 0.498 175.255 174.700 0.094 0.000 1.224 454 T CA -0.576 61.571 62.100 0.078 0.000 1.012 454 T CB 1.895 70.785 68.868 0.038 0.000 1.221 454 T HN 0.632 nan 8.240 nan 0.000 0.499 455 R N 0.877 121.414 120.500 0.061 0.000 2.254 455 R HA 0.218 4.558 4.340 -0.000 0.000 0.193 455 R C 0.436 176.758 176.300 0.038 0.000 0.929 455 R CA -0.218 55.909 56.100 0.045 0.000 1.038 455 R CB 0.202 30.519 30.300 0.028 0.000 1.009 455 R HN 0.422 nan 8.270 nan 0.000 0.512 456 N N 2.583 121.305 118.700 0.036 0.000 2.405 456 N HA 0.021 4.761 4.740 -0.000 0.000 0.260 456 N C -1.767 173.768 175.510 0.042 0.000 1.152 456 N CA -1.596 51.473 53.050 0.031 0.000 0.948 456 N CB 1.471 39.972 38.487 0.022 0.000 1.111 456 N HN -0.026 nan 8.380 nan 0.000 0.485 457 P HA -0.133 nan 4.420 nan 0.000 0.222 457 P C 1.049 178.386 177.300 0.061 0.000 1.153 457 P CA 0.984 64.125 63.100 0.069 0.000 0.798 457 P CB 0.524 32.267 31.700 0.072 0.000 0.796 458 Q N 0.706 120.532 119.800 0.045 0.000 2.079 458 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 458 Q C 2.172 178.201 176.000 0.048 0.000 0.974 458 Q CA 2.544 58.373 55.803 0.043 0.000 0.840 458 Q CB -0.524 28.233 28.738 0.031 0.000 0.898 458 Q HN 0.280 nan 8.270 nan 0.000 0.430 459 T N -2.249 112.329 114.554 0.039 0.000 2.867 459 T HA 0.034 4.384 4.350 -0.000 0.000 0.268 459 T C 1.801 176.514 174.700 0.020 0.000 1.057 459 T CA 0.927 63.049 62.100 0.036 0.000 1.136 459 T CB -0.304 68.570 68.868 0.009 0.000 0.874 459 T HN 0.316 nan 8.240 nan 0.000 0.466 460 A N 1.421 124.250 122.820 0.015 0.000 1.969 460 A HA 0.129 4.448 4.320 -0.000 0.000 0.218 460 A C 2.539 180.087 177.584 -0.060 0.000 1.169 460 A CA 1.168 53.190 52.037 -0.025 0.000 0.635 460 A CB -0.546 18.469 19.000 0.026 0.000 0.810 460 A HN 0.496 nan 8.150 nan 0.000 0.445 461 R N -0.560 119.959 120.500 0.031 0.000 2.055 461 R HA -0.039 4.301 4.340 -0.000 0.000 0.226 461 R C 2.382 178.759 176.300 0.129 0.000 1.135 461 R CA 1.528 57.690 56.100 0.103 0.000 0.959 461 R CB -0.294 30.067 30.300 0.102 0.000 0.854 461 R HN 0.635 nan 8.270 nan 0.000 0.431 462 Q N -0.228 119.634 119.800 0.102 0.000 2.291 462 Q HA -0.098 4.242 4.340 -0.000 0.000 0.206 462 Q C 1.913 178.021 176.000 0.180 0.000 0.976 462 Q CA 1.162 57.049 55.803 0.140 0.000 0.875 462 Q CB -0.048 28.772 28.738 0.137 0.000 0.927 462 Q HN 0.353 nan 8.270 nan 0.000 0.450 463 A N 0.812 123.688 122.820 0.093 0.000 2.070 463 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 463 A C 1.504 179.157 177.584 0.116 0.000 1.159 463 A CA 1.067 53.171 52.037 0.111 0.000 0.656 463 A CB -0.585 18.384 19.000 -0.051 0.000 0.800 463 A HN 0.387 nan 8.150 nan 0.000 0.453 464 H N -0.205 118.941 119.070 0.127 0.000 2.457 464 H HA -0.049 4.507 4.556 -0.000 0.000 0.297 464 H C 1.728 177.113 175.328 0.095 0.000 1.092 464 H CA 1.337 57.436 56.048 0.085 0.000 1.309 464 H CB -0.255 29.526 29.762 0.031 0.000 1.382 464 H HN 0.455 nan 8.280 nan 0.000 0.535 465 L N 0.270 121.615 121.223 0.204 0.000 2.549 465 L HA -0.150 4.190 4.340 -0.000 0.000 0.230 465 L C -0.003 176.745 176.870 -0.203 0.000 1.162 465 L CA 0.668 55.505 54.840 -0.004 0.000 0.834 465 L CB -0.260 41.742 42.059 -0.094 0.000 0.947 465 L HN 0.132 nan 8.230 nan 0.000 0.452 466 Y N -0.834 119.478 120.300 0.020 0.000 2.352 466 Y HA 0.411 4.961 4.550 -0.000 0.000 0.339 466 Y C 0.560 176.486 175.900 0.043 0.000 0.992 466 Y CA -1.460 56.647 58.100 0.012 0.000 1.100 466 Y CB 0.836 39.306 38.460 0.015 0.000 1.192 466 Y HN -0.134 nan 8.280 nan 0.000 0.458 467 R N 1.505 122.090 120.500 0.141 0.000 2.538 467 R HA 0.317 4.657 4.340 -0.000 0.000 0.282 467 R C 1.206 177.585 176.300 0.131 0.000 1.009 467 R CA 1.421 57.590 56.100 0.114 0.000 1.063 467 R CB -0.427 29.924 30.300 0.085 0.000 0.945 467 R HN 0.969 nan 8.270 nan 0.000 0.414 468 G N 4.076 112.940 108.800 0.106 0.000 2.417 468 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.233 468 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.233 468 G C 0.327 175.288 174.900 0.102 0.000 1.103 468 G CA 0.134 45.282 45.100 0.079 0.000 0.647 468 G HN 0.603 nan 8.290 nan 0.000 0.512 469 I N 1.361 122.010 120.570 0.132 0.000 2.668 469 I HA 0.304 4.474 4.170 -0.000 0.000 0.285 469 I C 0.076 176.277 176.117 0.141 0.000 1.168 469 I CA 0.044 61.415 61.300 0.118 0.000 1.424 469 I CB 0.346 38.406 38.000 0.099 0.000 1.377 469 I HN 0.174 nan 8.210 nan 0.000 0.560 470 F N 9.835 129.790 119.950 0.008 0.000 2.325 470 F HA 0.491 5.018 4.527 -0.000 0.000 0.369 470 F C -2.367 173.423 175.800 -0.016 0.000 1.095 470 F CA -2.750 55.268 58.000 0.030 0.000 1.082 470 F CB 0.854 39.921 39.000 0.112 0.000 1.289 470 F HN 0.231 nan 8.300 nan 0.000 0.462 471 P HA 0.184 nan 4.420 nan 0.000 0.268 471 P C -1.234 175.896 177.300 -0.285 0.000 1.205 471 P CA -0.052 62.852 63.100 -0.327 0.000 0.771 471 P CB 1.352 32.780 31.700 -0.453 0.000 0.858 472 V N 4.540 124.411 119.914 -0.072 0.000 2.612 472 V HA 0.228 4.348 4.120 -0.000 0.000 0.301 472 V C -0.866 175.343 176.094 0.192 0.000 1.059 472 V CA -0.650 61.659 62.300 0.015 0.000 0.886 472 V CB 1.983 33.740 31.823 -0.111 0.000 1.007 472 V HN 0.312 nan 8.190 nan 0.000 0.426 473 L N 6.314 127.743 121.223 0.342 0.000 2.257 473 L HA 0.553 4.893 4.340 -0.000 0.000 0.290 473 L C -0.038 177.071 176.870 0.398 0.000 1.044 473 L CA 0.171 55.212 54.840 0.335 0.000 0.810 473 L CB 0.839 43.076 42.059 0.297 0.000 1.193 473 L HN 0.818 nan 8.230 nan 0.000 0.425 474 C N 6.021 125.487 119.300 0.277 0.000 2.499 474 C HA 0.296 4.756 4.460 -0.000 0.000 0.386 474 C C 1.462 176.370 174.990 -0.136 0.000 1.293 474 C CA -0.493 58.486 59.018 -0.065 0.000 1.884 474 C CB -0.381 27.362 27.740 0.005 0.000 2.509 474 C HN 0.879 nan 8.230 nan 0.000 0.566 475 K N 2.544 122.783 120.400 -0.268 0.000 2.354 475 K HA 0.136 4.455 4.320 -0.000 0.000 0.194 475 K C 0.332 176.832 176.600 -0.167 0.000 1.045 475 K CA 0.122 56.301 56.287 -0.180 0.000 1.026 475 K CB -0.072 32.321 32.500 -0.179 0.000 0.866 475 K HN 0.736 nan 8.250 nan 0.000 0.530 476 D N 3.430 123.697 120.400 -0.222 0.000 2.449 476 D HA 0.005 4.645 4.640 -0.000 0.000 0.236 476 D C -2.013 174.228 176.300 -0.097 0.000 1.149 476 D CA -0.564 53.341 54.000 -0.159 0.000 0.878 476 D CB 0.399 41.092 40.800 -0.177 0.000 1.198 476 D HN 0.075 nan 8.370 nan 0.000 0.446 477 P HA 0.058 nan 4.420 nan 0.000 0.278 477 P C -0.356 176.925 177.300 -0.031 0.000 1.238 477 P CA -0.478 62.596 63.100 -0.043 0.000 0.794 477 P CB 0.752 32.430 31.700 -0.036 0.000 0.955 478 V N 3.465 123.372 119.914 -0.012 0.000 2.540 478 V HA -0.039 4.081 4.120 -0.000 0.000 0.297 478 V C 1.089 177.190 176.094 0.012 0.000 1.024 478 V CA 0.137 62.442 62.300 0.009 0.000 1.105 478 V CB -0.487 31.353 31.823 0.030 0.000 0.938 478 V HN 0.521 nan 8.190 nan 0.000 0.482 479 Q N 3.361 123.169 119.800 0.015 0.000 2.312 479 Q HA 0.291 4.631 4.340 -0.000 0.000 0.236 479 Q C 0.962 176.989 176.000 0.045 0.000 0.965 479 Q CA -0.330 55.483 55.803 0.017 0.000 0.894 479 Q CB 1.052 29.793 28.738 0.005 0.000 1.225 479 Q HN 0.727 nan 8.270 nan 0.000 0.478 480 E N 0.517 120.740 120.200 0.039 0.000 2.158 480 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 480 E C -0.050 176.598 176.600 0.080 0.000 0.982 480 E CA 0.549 56.979 56.400 0.051 0.000 0.823 480 E CB 0.270 29.988 29.700 0.031 0.000 0.766 480 E HN 0.599 nan 8.360 nan 0.000 0.468 481 A N 0.928 123.791 122.820 0.071 0.000 2.671 481 A HA 0.007 4.327 4.320 -0.000 0.000 0.306 481 A C 0.288 177.950 177.584 0.131 0.000 1.473 481 A CA -0.312 51.779 52.037 0.091 0.000 1.155 481 A CB -0.663 18.367 19.000 0.049 0.000 1.123 481 A HN 0.433 nan 8.150 nan 0.000 0.545 482 W N 3.384 124.675 121.300 -0.014 0.000 2.290 482 W HA -0.390 4.270 4.660 -0.000 0.000 0.318 482 W C 2.003 178.517 176.519 -0.007 0.000 1.248 482 W CA 3.077 60.412 57.345 -0.017 0.000 1.263 482 W CB -0.244 29.199 29.460 -0.028 0.000 1.147 482 W HN 0.691 nan 8.180 nan 0.000 0.494 483 A N -0.115 122.736 122.820 0.052 0.000 1.917 483 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 483 A C 1.868 179.349 177.584 -0.172 0.000 1.182 483 A CA 2.132 54.096 52.037 -0.120 0.000 0.633 483 A CB -0.840 18.174 19.000 0.024 0.000 0.819 483 A HN 0.547 nan 8.150 nan 0.000 0.448 484 E N -1.123 119.023 120.200 -0.089 0.000 2.299 484 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 484 E C 1.467 178.002 176.600 -0.107 0.000 0.998 484 E CA 0.719 57.072 56.400 -0.079 0.000 0.851 484 E CB -0.108 29.573 29.700 -0.032 0.000 0.795 484 E HN 0.670 nan 8.360 nan 0.000 0.492 485 D N 0.713 121.032 120.400 -0.136 0.000 2.117 485 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 485 D C 1.952 178.129 176.300 -0.205 0.000 0.982 485 D CA 0.713 54.634 54.000 -0.131 0.000 0.828 485 D CB 0.152 40.901 40.800 -0.084 0.000 0.967 485 D HN -0.096 nan 8.370 nan 0.000 0.464 486 V N 0.951 120.629 119.914 -0.393 0.000 2.220 486 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 486 V C 2.054 178.023 176.094 -0.208 0.000 1.049 486 V CA 2.117 64.177 62.300 -0.400 0.000 1.003 486 V CB -0.589 30.820 31.823 -0.690 0.000 0.634 486 V HN 0.276 nan 8.190 nan 0.000 0.444 487 D N -0.303 119.987 120.400 -0.183 0.000 2.239 487 D HA -0.197 4.443 4.640 -0.000 0.000 0.202 487 D C 1.973 178.243 176.300 -0.051 0.000 0.993 487 D CA 1.509 55.450 54.000 -0.098 0.000 0.874 487 D CB -0.027 40.724 40.800 -0.081 0.000 0.922 487 D HN 0.348 nan 8.370 nan 0.000 0.464 488 L N 1.162 122.352 121.223 -0.055 0.000 2.027 488 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 488 L C 2.300 179.190 176.870 0.034 0.000 1.074 488 L CA 1.511 56.340 54.840 -0.018 0.000 0.745 488 L CB -0.233 41.803 42.059 -0.039 0.000 0.898 488 L HN -0.192 nan 8.230 nan 0.000 0.433 489 R N -1.036 119.479 120.500 0.024 0.000 2.073 489 R HA -0.094 4.245 4.340 -0.000 0.000 0.234 489 R C 2.116 178.498 176.300 0.137 0.000 1.134 489 R CA 1.554 57.721 56.100 0.113 0.000 0.952 489 R CB -0.658 29.678 30.300 0.060 0.000 0.850 489 R HN 0.301 nan 8.270 nan 0.000 0.433 490 V N 1.957 121.900 119.914 0.048 0.000 2.568 490 V HA -0.240 3.880 4.120 -0.000 0.000 0.253 490 V C 1.779 177.912 176.094 0.064 0.000 1.072 490 V CA 1.566 63.887 62.300 0.035 0.000 1.084 490 V CB -0.532 31.282 31.823 -0.014 0.000 0.676 490 V HN 0.373 nan 8.190 nan 0.000 0.469 491 N N -0.666 118.083 118.700 0.083 0.000 2.333 491 N HA -0.067 4.673 4.740 -0.000 0.000 0.178 491 N C 1.727 177.345 175.510 0.180 0.000 1.018 491 N CA 0.925 54.035 53.050 0.100 0.000 0.882 491 N CB -0.158 38.372 38.487 0.072 0.000 0.984 491 N HN 0.488 nan 8.380 nan 0.000 0.434 492 F N 2.591 122.555 119.950 0.023 0.000 2.069 492 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 492 F C 2.246 178.082 175.800 0.059 0.000 1.113 492 F CA 1.283 59.303 58.000 0.034 0.000 1.214 492 F CB -0.851 38.166 39.000 0.028 0.000 0.978 492 F HN -0.014 nan 8.300 nan 0.000 0.474 493 A N 0.307 123.109 122.820 -0.029 0.000 1.883 493 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 493 A C 2.267 179.873 177.584 0.036 0.000 1.186 493 A CA 2.138 54.109 52.037 -0.109 0.000 0.624 493 A CB -1.048 17.960 19.000 0.014 0.000 0.822 493 A HN 0.476 nan 8.150 nan 0.000 0.444 494 M N 0.324 119.996 119.600 0.120 0.000 2.144 494 M HA -0.165 4.315 4.480 -0.000 0.000 0.260 494 M C 1.519 177.930 176.300 0.185 0.000 1.067 494 M CA 1.653 57.085 55.300 0.220 0.000 1.095 494 M CB -0.537 32.136 32.600 0.121 0.000 1.365 494 M HN 0.460 nan 8.290 nan 0.000 0.406 495 N N -0.831 117.914 118.700 0.075 0.000 2.207 495 N HA -0.048 4.692 4.740 -0.000 0.000 0.182 495 N C 1.749 177.196 175.510 -0.105 0.000 1.020 495 N CA 1.462 54.526 53.050 0.024 0.000 0.858 495 N CB -0.524 38.017 38.487 0.089 0.000 0.991 495 N HN 0.245 nan 8.380 nan 0.000 0.427 496 V N 1.408 121.210 119.914 -0.186 0.000 2.252 496 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 496 V C 2.511 178.291 176.094 -0.524 0.000 1.056 496 V CA 2.211 64.327 62.300 -0.307 0.000 1.022 496 V CB -1.374 30.238 31.823 -0.352 0.000 0.641 496 V HN 0.342 nan 8.190 nan 0.000 0.445 497 G N -0.395 108.082 108.800 -0.538 0.000 2.459 497 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 497 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 497 G C 1.650 175.864 174.900 -1.143 0.000 1.183 497 G CA 1.046 45.467 45.100 -1.132 0.000 0.776 497 G HN 0.489 nan 8.290 nan 0.000 0.552 498 K N 0.528 120.582 120.400 -0.577 0.000 2.097 498 K HA 0.021 4.341 4.320 -0.000 0.000 0.206 498 K C 2.928 179.346 176.600 -0.304 0.000 1.049 498 K CA 1.007 57.111 56.287 -0.305 0.000 0.933 498 K CB -0.192 32.281 32.500 -0.046 0.000 0.717 498 K HN 0.297 nan 8.250 nan 0.000 0.442 499 A N 1.307 123.939 122.820 -0.314 0.000 1.897 499 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 499 A C 1.924 179.305 177.584 -0.338 0.000 1.181 499 A CA 0.966 52.852 52.037 -0.251 0.000 0.620 499 A CB -0.127 18.768 19.000 -0.174 0.000 0.821 499 A HN 0.076 nan 8.150 nan 0.000 0.443 500 R N -0.989 119.149 120.500 -0.603 0.000 2.307 500 R HA 0.048 4.388 4.340 -0.000 0.000 0.199 500 R C 1.328 177.300 176.300 -0.548 0.000 1.000 500 R CA 0.764 56.428 56.100 -0.727 0.000 1.023 500 R CB -0.716 28.704 30.300 -1.466 0.000 0.908 500 R HN 0.881 nan 8.270 nan 0.000 0.473 501 G N 0.187 108.718 108.800 -0.450 0.000 2.141 501 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.242 501 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.242 501 G C 0.599 175.483 174.900 -0.026 0.000 0.982 501 G CA 0.079 45.069 45.100 -0.183 0.000 0.662 501 G HN 0.233 nan 8.290 nan 0.000 0.527 502 F N 0.064 119.751 119.950 -0.437 0.000 2.234 502 F HA 0.338 4.865 4.527 -0.000 0.000 0.299 502 F C 1.371 177.040 175.800 -0.218 0.000 1.087 502 F CA 0.771 58.525 58.000 -0.410 0.000 1.340 502 F CB -0.732 37.895 39.000 -0.623 0.000 1.031 502 F HN 0.436 nan 8.300 nan 0.000 0.500 503 F N -2.945 117.065 119.950 0.100 0.000 2.719 503 F HA 0.577 5.104 4.527 -0.000 0.000 0.309 503 F C -0.585 175.216 175.800 0.002 0.000 1.138 503 F CA -2.209 55.812 58.000 0.036 0.000 0.943 503 F CB 0.701 39.717 39.000 0.027 0.000 1.304 503 F HN -0.450 nan 8.300 nan 0.000 0.445 504 K N 0.786 121.356 120.400 0.284 0.000 2.632 504 K HA 0.376 4.695 4.320 -0.000 0.000 0.267 504 K C 0.783 177.479 176.600 0.160 0.000 1.028 504 K CA -0.892 55.495 56.287 0.166 0.000 1.045 504 K CB 1.283 33.836 32.500 0.089 0.000 1.400 504 K HN 0.787 nan 8.250 nan 0.000 0.522 505 K N 0.582 121.034 120.400 0.087 0.000 1.973 505 K HA -0.109 4.211 4.320 -0.000 0.000 0.210 505 K C 1.955 178.569 176.600 0.023 0.000 1.045 505 K CA 1.807 58.127 56.287 0.054 0.000 0.937 505 K CB -0.711 31.810 32.500 0.036 0.000 0.721 505 K HN 0.738 nan 8.250 nan 0.000 0.438 506 G N 1.386 110.196 108.800 0.018 0.000 2.450 506 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 506 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 506 G C 0.074 174.963 174.900 -0.019 0.000 1.130 506 G CA 0.629 45.729 45.100 -0.001 0.000 0.760 506 G HN 0.412 nan 8.290 nan 0.000 0.557 507 D N -0.364 120.030 120.400 -0.010 0.000 2.461 507 D HA 0.185 4.825 4.640 -0.000 0.000 0.231 507 D C 0.363 176.594 176.300 -0.114 0.000 1.208 507 D CA 0.189 54.164 54.000 -0.041 0.000 0.879 507 D CB 1.039 41.839 40.800 0.000 0.000 1.220 507 D HN -0.008 nan 8.370 nan 0.000 0.480 508 V N 1.037 120.875 119.914 -0.127 0.000 2.667 508 V HA 0.583 4.703 4.120 -0.000 0.000 0.308 508 V C 0.281 176.240 176.094 -0.224 0.000 1.048 508 V CA -0.617 61.590 62.300 -0.155 0.000 0.928 508 V CB 2.135 33.897 31.823 -0.101 0.000 1.004 508 V HN 0.280 nan 8.190 nan 0.000 0.444 509 V N 3.985 123.753 119.914 -0.243 0.000 3.049 509 V HA 0.516 4.636 4.120 -0.000 0.000 0.309 509 V C -1.009 174.981 176.094 -0.174 0.000 1.148 509 V CA -0.668 61.471 62.300 -0.269 0.000 0.990 509 V CB 2.412 33.963 31.823 -0.453 0.000 1.039 509 V HN 0.581 nan 8.190 nan 0.000 0.430 510 I N 3.162 123.647 120.570 -0.142 0.000 2.385 510 I HA 0.514 4.684 4.170 -0.000 0.000 0.294 510 I C -0.145 175.924 176.117 -0.080 0.000 0.988 510 I CA -0.476 60.763 61.300 -0.102 0.000 1.265 510 I CB 1.470 39.409 38.000 -0.102 0.000 1.388 510 I HN 0.233 nan 8.210 nan 0.000 0.480 511 V N 7.001 126.879 119.914 -0.059 0.000 2.487 511 V HA 0.464 4.584 4.120 -0.000 0.000 0.298 511 V C -0.046 176.037 176.094 -0.019 0.000 1.028 511 V CA -0.662 61.614 62.300 -0.040 0.000 0.860 511 V CB 2.419 34.216 31.823 -0.043 0.000 0.991 511 V HN 0.436 nan 8.190 nan 0.000 0.427 512 L N 5.148 126.367 121.223 -0.007 0.000 2.296 512 L HA 0.807 5.147 4.340 -0.000 0.000 0.286 512 L C 0.283 177.166 176.870 0.022 0.000 1.023 512 L CA -0.035 54.813 54.840 0.013 0.000 0.812 512 L CB 2.073 44.141 42.059 0.016 0.000 1.223 512 L HN 0.942 nan 8.230 nan 0.000 0.421 513 T N -0.361 114.221 114.554 0.047 0.000 2.696 513 T HA 0.779 5.129 4.350 -0.000 0.000 0.291 513 T C -0.231 174.554 174.700 0.142 0.000 1.095 513 T CA -0.540 61.596 62.100 0.060 0.000 1.026 513 T CB 1.991 70.863 68.868 0.007 0.000 1.390 513 T HN 0.580 nan 8.240 nan 0.000 0.513 514 G N -0.977 107.948 108.800 0.209 0.000 3.013 514 G HA2 0.539 4.499 3.960 -0.000 0.000 0.278 514 G HA3 0.539 4.499 3.960 -0.000 0.000 0.278 514 G C 0.117 175.300 174.900 0.472 0.000 1.353 514 G CA -0.643 44.651 45.100 0.324 0.000 1.043 514 G HN 0.961 nan 8.290 nan 0.000 0.523 515 W N -0.281 121.204 121.300 0.309 0.000 3.177 515 W HA 0.344 5.004 4.660 -0.000 0.000 0.309 515 W C 0.271 176.808 176.519 0.030 0.000 1.224 515 W CA -0.242 57.249 57.345 0.243 0.000 1.718 515 W CB -0.232 29.292 29.460 0.107 0.000 1.078 515 W HN 0.627 nan 8.180 nan 0.000 0.618 516 R N 0.149 120.237 120.500 -0.687 0.000 2.664 516 R HA 0.475 4.815 4.340 -0.000 0.000 0.266 516 R C -3.310 172.348 176.300 -1.071 0.000 1.046 516 R CA -1.561 53.735 56.100 -1.339 0.000 0.885 516 R CB 0.934 30.316 30.300 -1.529 0.000 1.254 516 R HN -0.394 nan 8.270 nan 0.000 0.465 517 P HA 0.295 nan 4.420 nan 0.000 0.270 517 P C -0.155 176.999 177.300 -0.243 0.000 1.223 517 P CA 1.170 63.992 63.100 -0.463 0.000 0.785 517 P CB 0.638 32.000 31.700 -0.564 0.000 0.923 518 G N -0.076 108.724 108.800 0.000 0.000 2.603 518 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.686 518 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.686 518 G C -0.658 174.350 174.900 0.181 0.000 1.286 518 G CA -0.762 44.392 45.100 0.090 0.000 0.871 518 G HN 0.487 nan 8.290 nan 0.000 0.568 519 S N -0.551 115.207 115.700 0.097 0.000 2.646 519 S HA 0.653 5.123 4.470 -0.000 0.000 0.276 519 S C 1.327 175.762 174.600 -0.274 0.000 1.222 519 S CA 1.267 59.452 58.200 -0.025 0.000 1.014 519 S CB 1.231 64.399 63.200 -0.053 0.000 0.991 519 S HN 2.625 nan 8.310 nan 0.000 0.533 520 G N 0.506 109.133 108.800 -0.287 0.000 2.176 520 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.252 520 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.252 520 G C 0.001 174.485 174.900 -0.693 0.000 1.024 520 G CA 0.023 44.846 45.100 -0.462 0.000 0.755 520 G HN 0.571 nan 8.290 nan 0.000 0.507 521 F N 0.671 120.604 119.950 -0.028 0.000 2.724 521 F HA 0.296 4.823 4.527 -0.000 0.000 0.310 521 F C 1.403 177.261 175.800 0.096 0.000 1.107 521 F CA -0.118 57.864 58.000 -0.031 0.000 1.218 521 F CB 0.457 39.180 39.000 -0.463 0.000 1.042 521 F HN 0.041 nan 8.300 nan 0.000 0.540 522 T N 2.767 117.427 114.554 0.177 0.000 2.928 522 T HA 0.088 4.438 4.350 -0.000 0.000 0.305 522 T C 0.996 175.829 174.700 0.222 0.000 1.035 522 T CA 0.393 62.600 62.100 0.178 0.000 1.145 522 T CB 0.299 69.223 68.868 0.093 0.000 0.963 522 T HN 0.538 nan 8.240 nan 0.000 0.545 523 N N -0.165 118.673 118.700 0.231 0.000 1.893 523 N HA -0.060 4.680 4.740 -0.000 0.000 0.222 523 N C -0.976 174.628 175.510 0.156 0.000 1.463 523 N CA -0.374 52.797 53.050 0.203 0.000 0.739 523 N CB 0.397 39.053 38.487 0.281 0.000 1.051 523 N HN 0.429 nan 8.380 nan 0.000 0.601 524 T N 2.186 116.829 114.554 0.147 0.000 2.809 524 T HA 0.448 4.798 4.350 -0.000 0.000 0.284 524 T C -0.718 174.018 174.700 0.061 0.000 0.992 524 T CA -0.412 61.751 62.100 0.105 0.000 0.957 524 T CB 1.728 70.672 68.868 0.127 0.000 0.942 524 T HN 0.147 nan 8.240 nan 0.000 0.439 525 M N 4.193 123.815 119.600 0.038 0.000 2.190 525 M HA 0.508 4.988 4.480 -0.000 0.000 0.312 525 M C -1.272 175.028 176.300 0.001 0.000 0.990 525 M CA -0.477 54.831 55.300 0.014 0.000 0.927 525 M CB 1.179 33.784 32.600 0.009 0.000 1.571 525 M HN 0.575 nan 8.290 nan 0.000 0.427 526 R N 2.987 123.479 120.500 -0.013 0.000 2.628 526 R HA 0.603 4.943 4.340 -0.000 0.000 0.288 526 R C -1.184 175.091 176.300 -0.042 0.000 0.980 526 R CA -0.841 55.246 56.100 -0.023 0.000 0.891 526 R CB 2.622 32.909 30.300 -0.022 0.000 1.188 526 R HN 0.485 nan 8.270 nan 0.000 0.450 527 V N 4.386 124.275 119.914 -0.043 0.000 2.353 527 V HA 0.231 4.351 4.120 -0.000 0.000 0.264 527 V C -0.049 176.008 176.094 -0.062 0.000 1.049 527 V CA -0.418 61.847 62.300 -0.058 0.000 0.896 527 V CB 1.090 32.883 31.823 -0.050 0.000 1.025 527 V HN 0.442 nan 8.190 nan 0.000 0.475 528 V N 7.679 127.544 119.914 -0.083 0.000 2.815 528 V HA 0.591 4.711 4.120 -0.000 0.000 0.314 528 V C -2.224 173.804 176.094 -0.110 0.000 1.064 528 V CA -1.922 60.328 62.300 -0.084 0.000 0.952 528 V CB 2.442 34.215 31.823 -0.082 0.000 1.020 528 V HN 0.650 nan 8.190 nan 0.000 0.439 529 P HA 0.364 nan 4.420 nan 0.000 0.285 529 P C -0.815 176.419 177.300 -0.111 0.000 1.269 529 P CA -0.454 62.587 63.100 -0.098 0.000 0.844 529 P CB 1.682 33.346 31.700 -0.061 0.000 1.094 530 V N 4.071 123.908 119.914 -0.128 0.000 2.508 530 V HA 0.112 4.232 4.120 -0.000 0.000 0.281 530 V C -1.628 174.449 176.094 -0.028 0.000 1.041 530 V CA -1.048 61.189 62.300 -0.105 0.000 1.016 530 V CB -0.094 31.668 31.823 -0.101 0.000 0.984 530 V HN 0.604 nan 8.190 nan 0.000 0.478 531 P HA 0.000 nan 4.420 nan 0.000 0.216 531 P CA 0.000 63.105 63.100 0.008 0.000 0.800 531 P CB 0.000 31.710 31.700 0.017 0.000 0.726