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_D 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 0.000 176.135 176.117 0.030 0.000 1.063 13 I CA 0.000 61.315 61.300 0.025 0.000 1.566 13 I CB 0.000 38.016 38.000 0.026 0.000 1.214 14 Q N 3.555 123.383 119.800 0.047 0.000 3.062 14 Q HA -0.077 4.263 4.340 0.000 0.000 0.085 14 Q C -1.679 174.349 176.000 0.047 0.000 1.615 14 Q CA 0.838 56.677 55.803 0.061 0.000 0.328 14 Q CB -0.247 28.527 28.738 0.061 0.000 0.592 14 Q HN 0.851 nan 8.270 nan 0.000 0.321 15 T N 4.497 119.083 114.554 0.053 0.000 2.841 15 T HA 0.388 4.738 4.350 0.000 0.000 0.283 15 T C -0.472 174.261 174.700 0.055 0.000 1.000 15 T CA 0.075 62.202 62.100 0.044 0.000 0.977 15 T CB 1.412 70.302 68.868 0.036 0.000 0.979 15 T HN 0.664 nan 8.240 nan 0.000 0.446 16 Q N 3.229 123.059 119.800 0.049 0.000 2.411 16 Q HA -0.302 4.038 4.340 0.000 0.000 0.305 16 Q C -0.480 175.577 176.000 0.095 0.000 1.273 16 Q CA 0.517 56.358 55.803 0.063 0.000 0.895 16 Q CB -1.625 27.147 28.738 0.057 0.000 1.198 16 Q HN 0.683 nan 8.270 nan 0.000 0.470 17 Q N -1.865 117.986 119.800 0.086 0.000 2.451 17 Q HA -0.211 4.129 4.340 0.000 0.000 0.305 17 Q C 0.716 176.811 176.000 0.159 0.000 1.345 17 Q CA 1.445 57.313 55.803 0.109 0.000 0.854 17 Q CB -2.053 26.751 28.738 0.109 0.000 1.162 17 Q HN 0.769 nan 8.270 nan 0.000 0.440 18 L N -0.738 120.568 121.223 0.139 0.000 2.027 18 L HA -0.183 4.157 4.340 0.000 0.000 0.206 18 L C 2.438 179.404 176.870 0.160 0.000 1.074 18 L CA 1.631 56.552 54.840 0.134 0.000 0.745 18 L CB -0.488 41.628 42.059 0.095 0.000 0.898 18 L HN 0.516 nan 8.230 nan 0.000 0.433 19 H N 0.427 119.539 119.070 0.069 0.000 2.390 19 H HA -0.200 4.356 4.556 0.000 0.000 0.298 19 H C 2.009 177.395 175.328 0.097 0.000 1.106 19 H CA 1.884 57.971 56.048 0.064 0.000 1.297 19 H CB 0.310 30.097 29.762 0.041 0.000 1.375 19 H HN 0.354 nan 8.280 nan 0.000 0.509 20 A N 0.586 123.598 122.820 0.321 0.000 1.898 20 A HA 0.139 4.459 4.320 0.000 0.000 0.214 20 A C 2.528 180.426 177.584 0.523 0.000 1.183 20 A CA 1.143 53.387 52.037 0.345 0.000 0.622 20 A CB -0.715 18.359 19.000 0.123 0.000 0.824 20 A HN 0.473 nan 8.150 nan 0.000 0.444 21 A N -1.473 121.567 122.820 0.367 0.000 2.235 21 A HA 0.286 4.606 4.320 0.000 0.000 0.208 21 A C 1.587 179.241 177.584 0.116 0.000 1.172 21 A CA 1.007 53.182 52.037 0.230 0.000 0.786 21 A CB -0.500 18.630 19.000 0.218 0.000 0.804 21 A HN 0.521 nan 8.150 nan 0.000 0.479 22 M N -0.115 119.564 119.600 0.132 0.000 2.685 22 M HA 0.476 4.956 4.480 0.000 0.000 0.355 22 M C -0.067 176.271 176.300 0.063 0.000 1.197 22 M CA -0.098 55.231 55.300 0.047 0.000 0.947 22 M CB 0.244 32.843 32.600 -0.002 0.000 1.346 22 M HN 0.305 nan 8.290 nan 0.000 0.516 23 A N -0.275 122.646 122.820 0.168 0.000 2.340 23 A HA 0.384 4.704 4.320 0.000 0.000 0.331 23 A C 0.377 178.078 177.584 0.196 0.000 1.140 23 A CA -0.643 51.489 52.037 0.157 0.000 0.801 23 A CB 0.783 19.890 19.000 0.178 0.000 1.234 23 A HN 0.445 nan 8.150 nan 0.000 0.469 24 D N 0.519 120.996 120.400 0.128 0.000 2.144 24 D HA -0.070 4.570 4.640 0.000 0.000 0.199 24 D C 0.712 177.119 176.300 0.178 0.000 0.984 24 D CA 2.194 56.270 54.000 0.126 0.000 0.834 24 D CB 0.155 41.000 40.800 0.075 0.000 0.955 24 D HN 0.734 nan 8.370 nan 0.000 0.465 25 T N -2.850 111.791 114.554 0.146 0.000 2.912 25 T HA 0.258 4.608 4.350 0.000 0.000 0.288 25 T C 0.841 175.553 174.700 0.021 0.000 1.030 25 T CA -0.889 61.289 62.100 0.130 0.000 1.020 25 T CB 1.638 70.562 68.868 0.095 0.000 1.056 25 T HN -0.050 nan 8.240 nan 0.000 0.480 26 F N 0.867 120.698 119.950 -0.199 0.000 2.126 26 F HA -0.114 4.413 4.527 0.000 0.000 0.299 26 F C 1.998 177.672 175.800 -0.210 0.000 1.096 26 F CA 1.032 58.775 58.000 -0.428 0.000 1.255 26 F CB -0.023 38.854 39.000 -0.206 0.000 0.997 26 F HN 0.512 nan 8.300 nan 0.000 0.479 27 L N 0.987 122.339 121.223 0.215 0.000 2.079 27 L HA -0.220 4.120 4.340 0.000 0.000 0.210 27 L C 2.140 179.056 176.870 0.077 0.000 1.081 27 L CA 2.097 57.006 54.840 0.115 0.000 0.752 27 L CB -0.941 41.141 42.059 0.038 0.000 0.896 27 L HN 0.194 nan 8.230 nan 0.000 0.433 28 E N -1.515 118.723 120.200 0.065 0.000 2.107 28 E HA -0.255 4.095 4.350 0.000 0.000 0.191 28 E C 2.195 178.829 176.600 0.057 0.000 0.982 28 E CA 1.291 57.726 56.400 0.059 0.000 0.809 28 E CB -0.246 29.498 29.700 0.073 0.000 0.756 28 E HN 0.688 nan 8.360 nan 0.000 0.459 29 H N 0.139 119.135 119.070 -0.123 0.000 2.267 29 H HA -0.100 4.456 4.556 0.000 0.000 0.297 29 H C 1.896 177.162 175.328 -0.103 0.000 1.080 29 H CA 2.579 58.502 56.048 -0.208 0.000 1.278 29 H CB -0.275 29.052 29.762 -0.724 0.000 1.365 29 H HN 0.168 nan 8.280 nan 0.000 0.489 30 M N -0.728 118.785 119.600 -0.146 0.000 2.080 30 M HA -0.227 4.253 4.480 0.000 0.000 0.260 30 M C 2.554 178.787 176.300 -0.111 0.000 1.068 30 M CA 1.676 56.895 55.300 -0.134 0.000 1.109 30 M CB -0.530 32.102 32.600 0.053 0.000 1.342 30 M HN 0.397 nan 8.290 nan 0.000 0.405 31 C N -0.081 119.188 119.300 -0.052 0.000 2.422 31 C HA -0.099 4.361 4.460 0.000 0.000 0.286 31 C C 2.442 177.393 174.990 -0.066 0.000 1.412 31 C CA 0.758 59.750 59.018 -0.043 0.000 1.786 31 C CB -1.446 26.287 27.740 -0.011 0.000 1.835 31 C HN 0.460 nan 8.230 nan 0.000 0.533 32 R N -0.146 120.305 120.500 -0.082 0.000 2.312 32 R HA 0.232 4.572 4.340 0.000 0.000 0.205 32 R C 0.168 176.392 176.300 -0.126 0.000 0.904 32 R CA -0.138 55.906 56.100 -0.093 0.000 1.052 32 R CB -0.017 30.307 30.300 0.040 0.000 1.014 32 R HN 0.464 nan 8.270 nan 0.000 0.503 33 L N 2.368 123.494 121.223 -0.162 0.000 2.628 33 L HA -0.037 4.303 4.340 0.000 0.000 0.274 33 L C -0.057 176.756 176.870 -0.095 0.000 1.209 33 L CA 0.403 55.158 54.840 -0.141 0.000 0.930 33 L CB -0.019 41.947 42.059 -0.155 0.000 1.183 33 L HN -0.048 nan 8.230 nan 0.000 0.492 34 D N 3.641 123.999 120.400 -0.071 0.000 2.381 34 D HA 0.239 4.879 4.640 0.000 0.000 0.235 34 D C 0.865 177.143 176.300 -0.037 0.000 1.068 34 D CA -0.544 53.420 54.000 -0.059 0.000 0.832 34 D CB 1.478 42.243 40.800 -0.058 0.000 1.101 34 D HN 0.450 nan 8.370 nan 0.000 0.515 35 I N -0.165 120.384 120.570 -0.035 0.000 2.830 35 I HA 0.056 4.226 4.170 0.000 0.000 0.263 35 I C 0.298 176.404 176.117 -0.017 0.000 1.230 35 I CA 0.569 61.855 61.300 -0.024 0.000 1.480 35 I CB 0.173 38.159 38.000 -0.024 0.000 1.095 35 I HN 0.010 nan 8.210 nan 0.000 0.455 36 D N 1.257 121.645 120.400 -0.020 0.000 2.325 36 D HA 0.081 4.721 4.640 0.000 0.000 0.225 36 D C 0.534 176.830 176.300 -0.007 0.000 1.096 36 D CA 0.399 54.390 54.000 -0.014 0.000 0.844 36 D CB 0.405 41.194 40.800 -0.017 0.000 0.925 36 D HN 0.222 nan 8.370 nan 0.000 0.513 37 S N 1.495 117.191 115.700 -0.005 0.000 2.488 37 S HA 0.395 4.865 4.470 0.000 0.000 0.310 37 S C -2.661 171.946 174.600 0.012 0.000 1.093 37 S CA -1.662 56.542 58.200 0.007 0.000 1.129 37 S CB 0.611 63.818 63.200 0.012 0.000 0.989 37 S HN -0.215 nan 8.310 nan 0.000 0.479 38 P HA 0.212 nan 4.420 nan 0.000 0.266 38 P C -2.465 174.846 177.300 0.018 0.000 1.195 38 P CA -0.943 62.164 63.100 0.013 0.000 0.768 38 P CB 0.163 31.871 31.700 0.012 0.000 0.838 39 P HA 0.218 nan 4.420 nan 0.000 0.280 39 P C 0.130 177.435 177.300 0.009 0.000 1.272 39 P CA -0.485 62.626 63.100 0.018 0.000 0.819 39 P CB 0.719 32.429 31.700 0.017 0.000 1.122 40 I N -1.461 119.109 120.570 -0.000 0.000 3.437 40 I HA 0.080 4.250 4.170 0.000 0.000 0.274 40 I C 1.404 177.507 176.117 -0.023 0.000 1.215 40 I CA -0.062 61.227 61.300 -0.017 0.000 1.215 40 I CB -0.497 37.473 38.000 -0.050 0.000 1.441 40 I HN 0.359 nan 8.210 nan 0.000 0.677 41 T N -0.340 114.201 114.554 -0.021 0.000 3.035 41 T HA 0.290 4.640 4.350 0.000 0.000 0.259 41 T C 0.947 175.624 174.700 -0.038 0.000 1.078 41 T CA 0.241 62.342 62.100 0.003 0.000 1.132 41 T CB -0.322 68.578 68.868 0.053 0.000 0.900 41 T HN 0.817 nan 8.240 nan 0.000 0.480 42 A N 1.799 124.501 122.820 -0.198 0.000 2.445 42 A HA 0.552 4.872 4.320 0.000 0.000 0.242 42 A C 0.449 177.917 177.584 -0.194 0.000 1.075 42 A CA -0.555 51.231 52.037 -0.419 0.000 0.777 42 A CB 0.195 18.653 19.000 -0.904 0.000 1.013 42 A HN 0.391 nan 8.150 nan 0.000 0.493 43 R N 2.250 122.682 120.500 -0.114 0.000 2.435 43 R HA 0.200 4.540 4.340 0.000 0.000 0.308 43 R C -0.551 175.764 176.300 0.025 0.000 0.975 43 R CA -0.578 55.513 56.100 -0.015 0.000 0.867 43 R CB 0.718 31.039 30.300 0.034 0.000 1.171 43 R HN 0.908 nan 8.270 nan 0.000 0.470 44 N N 1.113 119.823 118.700 0.018 0.000 2.300 44 N HA -0.039 4.701 4.740 0.000 0.000 0.179 44 N C -0.177 175.382 175.510 0.080 0.000 1.016 44 N CA 0.882 53.963 53.050 0.051 0.000 0.876 44 N CB 0.258 38.768 38.487 0.038 0.000 0.979 44 N HN 0.448 nan 8.380 nan 0.000 0.432 45 T N 1.256 115.849 114.554 0.064 0.000 2.779 45 T HA 0.308 4.658 4.350 0.000 0.000 0.296 45 T C 0.847 175.586 174.700 0.065 0.000 0.938 45 T CA -0.490 61.645 62.100 0.058 0.000 1.119 45 T CB 1.072 69.963 68.868 0.039 0.000 0.891 45 T HN 0.108 nan 8.240 nan 0.000 0.526 46 G N 2.624 111.467 108.800 0.071 0.000 2.491 46 G HA2 0.445 4.405 3.960 0.000 0.000 0.238 46 G HA3 0.445 4.405 3.960 0.000 0.000 0.238 46 G C -0.336 174.581 174.900 0.028 0.000 1.277 46 G CA -0.552 44.590 45.100 0.070 0.000 0.851 46 G HN 0.786 nan 8.290 nan 0.000 0.573 47 I N 1.959 122.529 120.570 0.001 0.000 2.420 47 I HA 0.243 4.413 4.170 0.000 0.000 0.282 47 I C -0.299 175.812 176.117 -0.009 0.000 1.019 47 I CA -0.414 60.884 61.300 -0.003 0.000 1.130 47 I CB 1.564 39.562 38.000 -0.004 0.000 1.262 47 I HN 0.227 nan 8.210 nan 0.000 0.454 48 I N 5.683 126.266 120.570 0.022 0.000 2.304 48 I HA 0.264 4.434 4.170 0.000 0.000 0.291 48 I C -0.338 175.815 176.117 0.060 0.000 1.018 48 I CA -0.305 61.028 61.300 0.056 0.000 1.260 48 I CB 0.930 39.004 38.000 0.123 0.000 1.390 48 I HN 0.514 nan 8.210 nan 0.000 0.475 49 C N 4.356 123.687 119.300 0.051 0.000 2.303 49 C HA 0.358 4.818 4.460 0.000 0.000 0.326 49 C C 0.777 175.814 174.990 0.078 0.000 1.285 49 C CA -0.610 58.443 59.018 0.057 0.000 1.675 49 C CB 0.603 28.367 27.740 0.039 0.000 2.289 49 C HN 0.665 nan 8.230 nan 0.000 0.512 50 T N 5.363 119.972 114.554 0.092 0.000 2.779 50 T HA 0.251 4.601 4.350 0.000 0.000 0.296 50 T C 0.363 175.127 174.700 0.107 0.000 0.938 50 T CA -0.005 62.161 62.100 0.111 0.000 1.119 50 T CB -0.041 68.898 68.868 0.119 0.000 0.891 50 T HN 0.358 nan 8.240 nan 0.000 0.526 51 I N 3.481 124.122 120.570 0.119 0.000 2.395 51 I HA 0.603 4.773 4.170 0.000 0.000 0.289 51 I C 0.959 177.174 176.117 0.163 0.000 1.023 51 I CA -0.106 61.268 61.300 0.123 0.000 1.350 51 I CB 0.615 38.683 38.000 0.115 0.000 1.409 51 I HN 0.784 nan 8.210 nan 0.000 0.507 52 G N 5.947 114.833 108.800 0.144 0.000 2.682 52 G HA2 0.477 4.437 3.960 0.000 0.000 0.303 52 G HA3 0.477 4.437 3.960 0.000 0.000 0.303 52 G C -2.560 172.421 174.900 0.136 0.000 1.341 52 G CA -0.606 44.596 45.100 0.170 0.000 0.784 52 G HN 0.268 nan 8.290 nan 0.000 0.497 53 P HA -0.226 nan 4.420 nan 0.000 0.222 53 P C 1.867 179.201 177.300 0.058 0.000 1.155 53 P CA 2.862 66.020 63.100 0.097 0.000 0.890 53 P CB 0.203 31.946 31.700 0.073 0.000 0.790 54 A N -1.440 121.410 122.820 0.051 0.000 2.169 54 A HA 0.039 4.359 4.320 0.000 0.000 0.212 54 A C 1.544 179.149 177.584 0.035 0.000 1.153 54 A CA 1.438 53.494 52.037 0.031 0.000 0.756 54 A CB -0.573 18.443 19.000 0.026 0.000 0.813 54 A HN 0.317 nan 8.150 nan 0.000 0.471 55 S N -2.307 113.423 115.700 0.050 0.000 3.082 55 S HA 0.275 4.745 4.470 0.000 0.000 0.253 55 S C 0.813 175.441 174.600 0.047 0.000 0.961 55 S CA -0.122 58.106 58.200 0.048 0.000 1.129 55 S CB -0.133 63.100 63.200 0.056 0.000 1.083 55 S HN 0.448 nan 8.310 nan 0.000 0.605 56 R N 2.439 122.963 120.500 0.040 0.000 2.254 56 R HA 0.182 4.522 4.340 0.000 0.000 0.195 56 R C 0.244 176.544 176.300 0.001 0.000 0.957 56 R CA 0.798 56.908 56.100 0.018 0.000 1.024 56 R CB 0.075 30.375 30.300 -0.000 0.000 0.952 56 R HN 0.488 nan 8.270 nan 0.000 0.484 57 S N 0.176 115.881 115.700 0.009 0.000 2.443 57 S HA 0.042 4.512 4.470 0.000 0.000 0.284 57 S C 1.449 176.059 174.600 0.016 0.000 1.206 57 S CA -0.601 57.602 58.200 0.006 0.000 1.074 57 S CB 1.497 64.701 63.200 0.007 0.000 0.963 57 S HN -0.010 nan 8.310 nan 0.000 0.501 58 V N 2.800 122.721 119.914 0.012 0.000 2.357 58 V HA -0.306 3.814 4.120 0.000 0.000 0.257 58 V C 2.750 178.862 176.094 0.031 0.000 1.082 58 V CA 2.551 64.865 62.300 0.023 0.000 1.078 58 V CB -0.953 30.877 31.823 0.012 0.000 0.663 58 V HN 1.044 nan 8.190 nan 0.000 0.455 59 E N 0.294 120.507 120.200 0.021 0.000 2.031 59 E HA -0.264 4.086 4.350 0.000 0.000 0.193 59 E C 2.329 178.952 176.600 0.039 0.000 0.994 59 E CA 2.252 58.666 56.400 0.024 0.000 0.800 59 E CB -0.197 29.511 29.700 0.014 0.000 0.752 59 E HN 0.797 nan 8.360 nan 0.000 0.447 60 T N -0.579 113.996 114.554 0.035 0.000 2.951 60 T HA -0.108 4.242 4.350 0.000 0.000 0.268 60 T C 1.933 176.665 174.700 0.054 0.000 1.073 60 T CA 0.611 62.736 62.100 0.041 0.000 1.134 60 T CB -0.203 68.683 68.868 0.030 0.000 0.884 60 T HN 0.104 nan 8.240 nan 0.000 0.479 61 L N 0.850 122.106 121.223 0.055 0.000 2.353 61 L HA 0.194 4.534 4.340 0.000 0.000 0.220 61 L C 2.263 179.192 176.870 0.098 0.000 1.133 61 L CA 1.388 56.267 54.840 0.064 0.000 0.798 61 L CB -0.599 41.494 42.059 0.057 0.000 0.922 61 L HN 0.259 nan 8.230 nan 0.000 0.445 62 K N -1.189 119.287 120.400 0.126 0.000 2.186 62 K HA -0.012 4.308 4.320 0.000 0.000 0.202 62 K C 1.658 178.375 176.600 0.194 0.000 1.052 62 K CA 0.522 56.949 56.287 0.233 0.000 0.965 62 K CB 0.155 32.785 32.500 0.217 0.000 0.746 62 K HN 0.204 nan 8.250 nan 0.000 0.457 63 E N 0.495 120.767 120.200 0.119 0.000 2.285 63 E HA -0.028 4.322 4.350 0.000 0.000 0.194 63 E C 1.850 178.482 176.600 0.055 0.000 0.997 63 E CA 0.678 57.130 56.400 0.087 0.000 0.845 63 E CB 0.122 29.864 29.700 0.069 0.000 0.782 63 E HN 0.292 nan 8.360 nan 0.000 0.491 64 M N 0.017 119.646 119.600 0.049 0.000 2.156 64 M HA -0.049 4.431 4.480 0.000 0.000 0.264 64 M C 2.374 178.669 176.300 -0.009 0.000 1.067 64 M CA 1.037 56.352 55.300 0.025 0.000 1.131 64 M CB -0.496 32.121 32.600 0.029 0.000 1.368 64 M HN 0.082 nan 8.290 nan 0.000 0.416 65 I N 0.002 120.558 120.570 -0.023 0.000 2.252 65 I HA -0.302 3.868 4.170 0.000 0.000 0.245 65 I C 2.402 178.427 176.117 -0.153 0.000 1.102 65 I CA 1.234 62.464 61.300 -0.117 0.000 1.385 65 I CB -0.382 37.514 38.000 -0.173 0.000 1.064 65 I HN 0.296 nan 8.210 nan 0.000 0.414 66 K N 0.545 120.880 120.400 -0.107 0.000 2.002 66 K HA -0.133 4.187 4.320 0.000 0.000 0.209 66 K C 2.278 178.858 176.600 -0.034 0.000 1.048 66 K CA 1.755 57.994 56.287 -0.080 0.000 0.930 66 K CB -0.237 32.273 32.500 0.017 0.000 0.714 66 K HN 0.133 nan 8.250 nan 0.000 0.438 67 S N -0.910 114.786 115.700 -0.006 0.000 2.419 67 S HA -0.082 4.388 4.470 0.000 0.000 0.233 67 S C 1.416 176.017 174.600 0.002 0.000 1.016 67 S CA 1.305 59.510 58.200 0.008 0.000 0.974 67 S CB 0.184 63.398 63.200 0.022 0.000 0.786 67 S HN 0.676 nan 8.310 nan 0.000 0.492 68 G N -0.137 108.653 108.800 -0.018 0.000 3.246 68 G HA2 -0.111 3.849 3.960 0.000 0.000 0.218 68 G HA3 -0.111 3.849 3.960 0.000 0.000 0.218 68 G C 0.169 175.041 174.900 -0.046 0.000 0.978 68 G CA -0.169 44.922 45.100 -0.016 0.000 0.825 68 G HN 0.356 nan 8.290 nan 0.000 0.546 69 M N 1.421 120.989 119.600 -0.053 0.000 2.240 69 M HA 0.182 4.662 4.480 0.000 0.000 0.346 69 M C 0.910 177.112 176.300 -0.163 0.000 1.236 69 M CA 1.262 56.516 55.300 -0.076 0.000 0.986 69 M CB 0.304 32.874 32.600 -0.050 0.000 1.786 69 M HN 0.238 nan 8.290 nan 0.000 0.457 70 N N 2.393 120.959 118.700 -0.224 0.000 2.419 70 N HA 0.234 4.974 4.740 0.000 0.000 0.216 70 N C -1.142 174.111 175.510 -0.429 0.000 1.118 70 N CA -0.042 52.701 53.050 -0.512 0.000 0.850 70 N CB 0.978 39.079 38.487 -0.642 0.000 1.292 70 N HN 0.406 nan 8.380 nan 0.000 0.467 71 V N 0.528 120.331 119.914 -0.186 0.000 2.789 71 V HA 0.799 4.919 4.120 0.000 0.000 0.311 71 V C -1.041 175.041 176.094 -0.019 0.000 1.073 71 V CA -1.284 60.974 62.300 -0.071 0.000 0.921 71 V CB 1.795 33.634 31.823 0.027 0.000 1.009 71 V HN 0.104 nan 8.190 nan 0.000 0.426 72 A N 3.946 126.760 122.820 -0.011 0.000 2.271 72 A HA 0.753 5.073 4.320 0.000 0.000 0.317 72 A C -0.183 177.406 177.584 0.009 0.000 1.245 72 A CA -0.575 51.470 52.037 0.015 0.000 0.857 72 A CB 0.561 19.573 19.000 0.020 0.000 1.175 72 A HN 0.834 nan 8.150 nan 0.000 0.512 73 R N 2.972 123.502 120.500 0.051 0.000 2.312 73 R HA 0.584 4.924 4.340 0.000 0.000 0.311 73 R C -1.420 174.927 176.300 0.079 0.000 1.004 73 R CA -0.436 55.689 56.100 0.042 0.000 0.902 73 R CB 0.546 30.938 30.300 0.155 0.000 1.073 73 R HN 0.714 nan 8.270 nan 0.000 0.457 74 L N 4.384 125.644 121.223 0.062 0.000 2.276 74 L HA 0.273 4.613 4.340 0.000 0.000 0.286 74 L C -0.156 176.819 176.870 0.175 0.000 1.024 74 L CA -0.808 54.114 54.840 0.136 0.000 0.826 74 L CB 1.374 43.552 42.059 0.198 0.000 1.211 74 L HN 0.585 nan 8.230 nan 0.000 0.422 75 N N 3.017 121.822 118.700 0.175 0.000 2.415 75 N HA 0.065 4.805 4.740 0.000 0.000 0.250 75 N C 0.138 175.763 175.510 0.192 0.000 1.127 75 N CA -0.048 53.114 53.050 0.187 0.000 0.945 75 N CB 0.366 38.959 38.487 0.176 0.000 1.196 75 N HN 0.318 nan 8.380 nan 0.000 0.499 76 F N 1.043 120.956 119.950 -0.061 0.000 2.725 76 F HA 0.047 4.574 4.527 0.000 0.000 0.303 76 F C 1.897 177.717 175.800 0.033 0.000 1.167 76 F CA 0.017 58.009 58.000 -0.014 0.000 1.403 76 F CB -0.351 38.618 39.000 -0.052 0.000 1.077 76 F HN 0.477 nan 8.300 nan 0.000 0.537 77 S N -1.781 113.959 115.700 0.068 0.000 2.634 77 S HA 0.165 4.635 4.470 0.000 0.000 0.221 77 S C 0.195 174.570 174.600 -0.375 0.000 0.952 77 S CA 0.026 58.150 58.200 -0.126 0.000 0.930 77 S CB -0.350 62.729 63.200 -0.201 0.000 0.780 77 S HN 0.210 nan 8.310 nan 0.000 0.498 78 H N -0.211 118.905 119.070 0.076 0.000 2.990 78 H HA 0.608 5.164 4.556 0.000 0.000 0.336 78 H C 0.532 175.790 175.328 -0.117 0.000 1.306 78 H CA -0.146 55.888 56.048 -0.024 0.000 1.118 78 H CB 1.061 30.798 29.762 -0.043 0.000 1.856 78 H HN 0.449 nan 8.280 nan 0.000 0.538 79 G N 0.589 109.285 108.800 -0.174 0.000 2.819 79 G HA2 -0.081 3.879 3.960 0.000 0.000 0.682 79 G HA3 -0.081 3.879 3.960 0.000 0.000 0.682 79 G C -0.027 174.620 174.900 -0.421 0.000 1.481 79 G CA -0.127 44.634 45.100 -0.565 0.000 0.904 79 G HN 0.941 nan 8.290 nan 0.000 0.563 80 T N -2.598 111.710 114.554 -0.410 0.000 2.945 80 T HA 0.631 4.981 4.350 0.000 0.000 0.286 80 T C 1.301 175.882 174.700 -0.199 0.000 1.025 80 T CA 0.392 62.354 62.100 -0.231 0.000 1.039 80 T CB 1.502 70.284 68.868 -0.143 0.000 1.068 80 T HN 0.713 nan 8.240 nan 0.000 0.497 81 H N 0.061 118.933 119.070 -0.331 0.000 2.390 81 H HA -0.126 4.430 4.556 0.000 0.000 0.298 81 H C 2.094 177.305 175.328 -0.195 0.000 1.106 81 H CA 1.656 57.380 56.048 -0.540 0.000 1.297 81 H CB 0.294 29.666 29.762 -0.649 0.000 1.375 81 H HN 0.780 nan 8.280 nan 0.000 0.509 82 E N 0.389 120.619 120.200 0.049 0.000 2.110 82 E HA -0.213 4.137 4.350 0.000 0.000 0.193 82 E C 1.888 178.531 176.600 0.073 0.000 0.988 82 E CA 0.874 57.325 56.400 0.085 0.000 0.804 82 E CB -0.039 29.692 29.700 0.051 0.000 0.745 82 E HN 0.475 nan 8.360 nan 0.000 0.458 83 Y N 0.393 120.610 120.300 -0.138 0.000 2.133 83 Y HA -0.214 4.336 4.550 0.000 0.000 0.287 83 Y C 2.001 177.825 175.900 -0.128 0.000 1.134 83 Y CA 2.321 60.308 58.100 -0.188 0.000 1.133 83 Y CB -0.430 37.820 38.460 -0.350 0.000 0.987 83 Y HN 0.159 nan 8.280 nan 0.000 0.502 84 H N -0.821 118.368 119.070 0.199 0.000 2.387 84 H HA -0.083 4.473 4.556 0.000 0.000 0.299 84 H C 2.294 177.765 175.328 0.239 0.000 1.090 84 H CA 0.889 57.042 56.048 0.175 0.000 1.332 84 H CB -0.183 29.597 29.762 0.030 0.000 1.386 84 H HN 0.470 nan 8.280 nan 0.000 0.516 85 A N 0.848 123.938 122.820 0.451 0.000 1.978 85 A HA -0.244 4.076 4.320 0.000 0.000 0.220 85 A C 2.159 179.843 177.584 0.167 0.000 1.170 85 A CA 1.864 54.132 52.037 0.385 0.000 0.636 85 A CB -0.352 18.894 19.000 0.410 0.000 0.810 85 A HN 0.540 nan 8.150 nan 0.000 0.448 86 E N -0.859 119.382 120.200 0.069 0.000 2.107 86 E HA -0.118 4.232 4.350 0.000 0.000 0.191 86 E C 1.934 178.505 176.600 -0.048 0.000 0.982 86 E CA 1.401 57.784 56.400 -0.029 0.000 0.809 86 E CB -0.044 29.581 29.700 -0.125 0.000 0.756 86 E HN 0.613 nan 8.360 nan 0.000 0.459 87 T N 1.443 115.963 114.554 -0.057 0.000 2.674 87 T HA -0.142 4.208 4.350 0.000 0.000 0.265 87 T C 1.939 176.675 174.700 0.059 0.000 1.039 87 T CA 1.295 63.388 62.100 -0.010 0.000 1.150 87 T CB -0.231 68.690 68.868 0.089 0.000 0.864 87 T HN 0.170 nan 8.240 nan 0.000 0.427 88 I N 1.122 121.760 120.570 0.113 0.000 2.151 88 I HA -0.241 3.929 4.170 0.000 0.000 0.243 88 I C 2.681 178.833 176.117 0.058 0.000 1.080 88 I CA 1.496 62.852 61.300 0.093 0.000 1.339 88 I CB -0.407 37.656 38.000 0.105 0.000 1.039 88 I HN 0.227 nan 8.210 nan 0.000 0.409 89 K N 1.089 121.520 120.400 0.051 0.000 2.103 89 K HA -0.230 4.090 4.320 0.000 0.000 0.207 89 K C 1.785 178.402 176.600 0.029 0.000 1.048 89 K CA 2.019 58.327 56.287 0.035 0.000 0.930 89 K CB -0.033 32.484 32.500 0.028 0.000 0.716 89 K HN 0.252 nan 8.250 nan 0.000 0.444 90 N N -0.051 118.661 118.700 0.021 0.000 2.171 90 N HA -0.099 4.641 4.740 0.000 0.000 0.184 90 N C 1.635 177.169 175.510 0.040 0.000 1.021 90 N CA 1.064 54.126 53.050 0.020 0.000 0.854 90 N CB -0.116 38.372 38.487 0.002 0.000 0.994 90 N HN -0.060 nan 8.380 nan 0.000 0.426 91 V N 1.418 121.359 119.914 0.046 0.000 2.231 91 V HA -0.275 3.845 4.120 0.000 0.000 0.248 91 V C 2.169 178.305 176.094 0.070 0.000 1.054 91 V CA 1.744 64.077 62.300 0.056 0.000 1.015 91 V CB -0.450 31.404 31.823 0.051 0.000 0.638 91 V HN 0.309 nan 8.190 nan 0.000 0.444 92 R N -0.411 120.127 120.500 0.065 0.000 2.105 92 R HA -0.163 4.177 4.340 0.000 0.000 0.239 92 R C 2.335 178.687 176.300 0.087 0.000 1.135 92 R CA 1.934 58.081 56.100 0.078 0.000 0.967 92 R CB -0.785 29.551 30.300 0.060 0.000 0.861 92 R HN 0.552 nan 8.270 nan 0.000 0.442 93 T N 0.856 115.449 114.554 0.064 0.000 2.701 93 T HA -0.122 4.228 4.350 0.000 0.000 0.263 93 T C 2.001 176.741 174.700 0.067 0.000 1.040 93 T CA 1.442 63.572 62.100 0.051 0.000 1.147 93 T CB -0.263 68.622 68.868 0.028 0.000 0.865 93 T HN 0.394 nan 8.240 nan 0.000 0.426 94 A N 1.209 124.080 122.820 0.085 0.000 1.902 94 A HA -0.133 4.187 4.320 0.000 0.000 0.217 94 A C 2.565 180.299 177.584 0.250 0.000 1.181 94 A CA 2.141 54.254 52.037 0.127 0.000 0.623 94 A CB -1.333 17.747 19.000 0.132 0.000 0.818 94 A HN 0.458 nan 8.150 nan 0.000 0.443 95 T N 0.115 114.807 114.554 0.229 0.000 2.652 95 T HA -0.119 4.231 4.350 0.000 0.000 0.267 95 T C 1.728 176.690 174.700 0.436 0.000 1.039 95 T CA 1.607 63.882 62.100 0.292 0.000 1.153 95 T CB -0.261 68.715 68.868 0.179 0.000 0.863 95 T HN 0.495 nan 8.240 nan 0.000 0.428 96 E N 1.492 121.871 120.200 0.298 0.000 2.347 96 E HA -0.041 4.309 4.350 0.000 0.000 0.196 96 E C 2.419 179.114 176.600 0.158 0.000 1.008 96 E CA 0.724 57.278 56.400 0.257 0.000 0.852 96 E CB -0.526 29.249 29.700 0.125 0.000 0.783 96 E HN 0.645 nan 8.360 nan 0.000 0.505 97 S N -0.204 115.527 115.700 0.052 0.000 2.493 97 S HA -0.107 4.363 4.470 0.000 0.000 0.243 97 S C 1.458 175.864 174.600 -0.325 0.000 0.991 97 S CA 0.609 58.691 58.200 -0.195 0.000 0.957 97 S CB -0.431 62.549 63.200 -0.366 0.000 0.756 97 S HN 0.166 nan 8.310 nan 0.000 0.521 98 F N 0.787 120.831 119.950 0.157 0.000 2.720 98 F HA 0.555 5.082 4.527 0.000 0.000 0.301 98 F C 2.340 178.286 175.800 0.245 0.000 1.103 98 F CA -0.107 58.008 58.000 0.192 0.000 1.291 98 F CB -0.321 38.801 39.000 0.204 0.000 1.086 98 F HN 0.246 nan 8.300 nan 0.000 0.592 99 A N 0.128 123.145 122.820 0.329 0.000 2.234 99 A HA -0.152 4.168 4.320 0.000 0.000 0.216 99 A C 2.049 179.616 177.584 -0.029 0.000 1.167 99 A CA 1.500 53.518 52.037 -0.031 0.000 0.698 99 A CB -1.067 17.785 19.000 -0.247 0.000 0.779 99 A HN 0.324 nan 8.150 nan 0.000 0.475 100 S N -1.119 114.605 115.700 0.041 0.000 2.786 100 S HA 0.129 4.599 4.470 0.000 0.000 0.223 100 S C 0.067 174.694 174.600 0.046 0.000 0.956 100 S CA 0.475 58.686 58.200 0.017 0.000 0.961 100 S CB -0.119 63.086 63.200 0.008 0.000 0.784 100 S HN 0.400 nan 8.310 nan 0.000 0.519 101 D N 0.447 120.900 120.400 0.088 0.000 2.634 101 D HA 0.307 4.947 4.640 0.000 0.000 0.236 101 D C -2.573 173.835 176.300 0.180 0.000 1.323 101 D CA -1.607 52.463 54.000 0.117 0.000 0.884 101 D CB 1.315 42.197 40.800 0.137 0.000 1.496 101 D HN -0.134 nan 8.370 nan 0.000 0.525 102 P HA -0.113 nan 4.420 nan 0.000 0.218 102 P C 1.724 179.318 177.300 0.491 0.000 1.147 102 P CA 0.889 64.137 63.100 0.247 0.000 0.827 102 P CB 0.420 32.139 31.700 0.031 0.000 0.778 103 I N -1.598 119.210 120.570 0.396 0.000 2.202 103 I HA -0.170 4.000 4.170 0.000 0.000 0.242 103 I C 1.755 177.976 176.117 0.172 0.000 1.091 103 I CA 1.150 62.628 61.300 0.297 0.000 1.368 103 I CB -0.380 37.736 38.000 0.192 0.000 1.058 103 I HN -0.075 nan 8.210 nan 0.000 0.410 104 L N -0.352 120.980 121.223 0.181 0.000 2.558 104 L HA 0.006 4.346 4.340 0.000 0.000 0.225 104 L C 0.669 177.650 176.870 0.184 0.000 1.128 104 L CA 0.429 55.356 54.840 0.144 0.000 0.868 104 L CB -1.277 40.865 42.059 0.139 0.000 1.006 104 L HN 0.194 nan 8.230 nan 0.000 0.454 105 Y N 2.349 122.724 120.300 0.126 0.000 2.620 105 Y HA 0.082 4.632 4.550 0.000 0.000 0.330 105 Y C 0.474 176.397 175.900 0.039 0.000 1.186 105 Y CA 0.083 58.251 58.100 0.114 0.000 1.467 105 Y CB 0.293 38.841 38.460 0.147 0.000 1.262 105 Y HN 0.004 nan 8.280 nan 0.000 0.550 106 R N 7.787 127.899 120.500 -0.646 0.000 2.388 106 R HA 0.341 4.681 4.340 0.000 0.000 0.314 106 R C -2.599 173.213 176.300 -0.812 0.000 0.959 106 R CA -1.930 53.812 56.100 -0.597 0.000 0.851 106 R CB 1.190 31.256 30.300 -0.389 0.000 1.168 106 R HN 0.513 nan 8.270 nan 0.000 0.472 107 P HA 0.015 nan 4.420 nan 0.000 0.268 107 P C -0.863 176.384 177.300 -0.088 0.000 1.208 107 P CA -0.170 62.764 63.100 -0.276 0.000 0.777 107 P CB 0.734 32.423 31.700 -0.018 0.000 0.875 108 V N 1.151 121.044 119.914 -0.035 0.000 2.733 108 V HA 0.601 4.721 4.120 0.000 0.000 0.306 108 V C -0.018 176.083 176.094 0.011 0.000 1.084 108 V CA -0.809 61.448 62.300 -0.071 0.000 0.905 108 V CB 1.808 33.580 31.823 -0.086 0.000 1.010 108 V HN 0.692 nan 8.190 nan 0.000 0.424 109 A N 4.058 126.883 122.820 0.008 0.000 2.264 109 A HA 0.897 5.217 4.320 0.000 0.000 0.304 109 A C -0.653 176.928 177.584 -0.006 0.000 1.100 109 A CA -0.539 51.522 52.037 0.040 0.000 0.839 109 A CB 1.407 20.462 19.000 0.092 0.000 1.121 109 A HN 0.762 nan 8.150 nan 0.000 0.496 110 V N 0.726 120.626 119.914 -0.023 0.000 2.444 110 V HA 0.641 4.761 4.120 0.000 0.000 0.294 110 V C 0.214 176.224 176.094 -0.141 0.000 1.022 110 V CA -0.147 62.121 62.300 -0.055 0.000 0.850 110 V CB 1.174 32.978 31.823 -0.031 0.000 0.992 110 V HN 1.210 nan 8.190 nan 0.000 0.426 111 A N 5.250 127.931 122.820 -0.231 0.000 2.342 111 A HA 0.861 5.181 4.320 0.000 0.000 0.323 111 A C -0.981 176.323 177.584 -0.468 0.000 1.125 111 A CA -0.560 51.172 52.037 -0.510 0.000 0.785 111 A CB 1.349 19.748 19.000 -1.002 0.000 1.221 111 A HN 0.916 nan 8.150 nan 0.000 0.463 112 L N 2.576 123.508 121.223 -0.486 0.000 2.265 112 L HA 0.418 4.758 4.340 0.000 0.000 0.289 112 L C -0.829 175.816 176.870 -0.376 0.000 1.033 112 L CA -0.483 54.098 54.840 -0.432 0.000 0.814 112 L CB 0.903 42.635 42.059 -0.546 0.000 1.203 112 L HN 0.717 nan 8.230 nan 0.000 0.423 113 D N 4.600 124.892 120.400 -0.179 0.000 2.443 113 D HA 0.116 4.756 4.640 0.000 0.000 0.221 113 D C 0.007 176.336 176.300 0.049 0.000 1.097 113 D CA -0.214 53.797 54.000 0.018 0.000 0.865 113 D CB 1.219 42.120 40.800 0.167 0.000 1.034 113 D HN 0.648 nan 8.370 nan 0.000 0.511 114 T N 0.935 115.501 114.554 0.020 0.000 2.906 114 T HA -0.034 4.316 4.350 0.000 0.000 0.320 114 T C 1.260 176.035 174.700 0.124 0.000 1.088 114 T CA -0.194 61.939 62.100 0.054 0.000 1.120 114 T CB 1.622 70.514 68.868 0.041 0.000 1.000 114 T HN 0.461 nan 8.240 nan 0.000 0.550 115 K N 1.827 122.309 120.400 0.136 0.000 2.103 115 K HA 0.150 4.470 4.320 0.000 0.000 0.204 115 K C 1.353 178.033 176.600 0.133 0.000 1.052 115 K CA 0.912 57.270 56.287 0.118 0.000 0.945 115 K CB -1.054 31.501 32.500 0.092 0.000 0.722 115 K HN 1.133 nan 8.250 nan 0.000 0.443 116 G N 1.024 109.892 108.800 0.113 0.000 2.641 116 G HA2 -0.242 3.718 3.960 0.000 0.000 0.254 116 G HA3 -0.242 3.718 3.960 0.000 0.000 0.254 116 G C -2.428 172.463 174.900 -0.015 0.000 1.315 116 G CA -0.073 45.091 45.100 0.106 0.000 0.907 116 G HN 0.306 nan 8.290 nan 0.000 0.572 117 P HA 0.249 nan 4.420 nan 0.000 0.231 117 P C -0.143 176.822 177.300 -0.559 0.000 1.811 117 P CA 0.236 63.156 63.100 -0.299 0.000 1.051 117 P CB -0.383 31.145 31.700 -0.287 0.000 1.951 118 E N 2.231 122.201 120.200 -0.385 0.000 2.227 118 E HA 0.595 4.945 4.350 0.000 0.000 0.268 118 E C -0.620 175.838 176.600 -0.238 0.000 0.990 118 E CA -1.216 54.952 56.400 -0.387 0.000 0.856 118 E CB 1.440 31.047 29.700 -0.155 0.000 1.159 118 E HN 0.163 nan 8.360 nan 0.000 0.401 119 I N 1.188 121.644 120.570 -0.191 0.000 2.404 119 I HA 0.454 4.624 4.170 0.000 0.000 0.293 119 I C 0.086 176.176 176.117 -0.045 0.000 0.992 119 I CA -0.787 60.446 61.300 -0.112 0.000 1.149 119 I CB 1.401 39.346 38.000 -0.091 0.000 1.315 119 I HN 0.415 nan 8.210 nan 0.000 0.446 120 R N 2.549 123.029 120.500 -0.034 0.000 2.836 120 R HA 0.564 4.904 4.340 0.000 0.000 0.269 120 R C -0.552 175.755 176.300 0.012 0.000 1.010 120 R CA -0.862 55.249 56.100 0.019 0.000 0.930 120 R CB 2.338 32.677 30.300 0.064 0.000 1.218 120 R HN 0.712 nan 8.270 nan 0.000 0.473 121 T N -1.678 112.919 114.554 0.073 0.000 2.810 121 T HA 0.505 4.855 4.350 0.000 0.000 0.277 121 T C 0.834 175.695 174.700 0.268 0.000 0.973 121 T CA -0.400 61.774 62.100 0.123 0.000 0.949 121 T CB 1.259 70.195 68.868 0.114 0.000 1.075 121 T HN 0.599 nan 8.240 nan 0.000 0.537 122 G N -0.504 108.539 108.800 0.405 0.000 2.630 122 G HA2 0.569 4.529 3.960 0.000 0.000 0.223 122 G HA3 0.569 4.529 3.960 0.000 0.000 0.223 122 G C -0.586 174.432 174.900 0.196 0.000 1.434 122 G CA -1.187 44.163 45.100 0.417 0.000 1.057 122 G HN 0.788 nan 8.290 nan 0.000 0.570 123 L N 0.538 121.831 121.223 0.117 0.000 2.325 123 L HA 0.362 4.702 4.340 0.000 0.000 0.279 123 L C -0.178 176.723 176.870 0.051 0.000 1.054 123 L CA -0.849 54.029 54.840 0.063 0.000 0.804 123 L CB 1.549 43.623 42.059 0.025 0.000 1.200 123 L HN 0.183 nan 8.230 nan 0.000 0.436 124 I N 2.581 123.173 120.570 0.038 0.000 2.474 124 I HA 0.045 4.215 4.170 0.000 0.000 0.287 124 I C 0.890 177.013 176.117 0.010 0.000 1.048 124 I CA -0.233 61.082 61.300 0.024 0.000 1.383 124 I CB 0.934 38.947 38.000 0.022 0.000 1.412 124 I HN 0.650 nan 8.210 nan 0.000 0.531 125 K N 4.817 125.217 120.400 0.000 0.000 3.333 125 K HA -0.306 4.014 4.320 0.000 0.000 0.267 125 K C 1.259 177.857 176.600 -0.004 0.000 0.863 125 K CA 0.545 56.829 56.287 -0.006 0.000 0.646 125 K CB -1.480 31.015 32.500 -0.008 0.000 1.499 125 K HN 1.131 nan 8.250 nan 0.000 0.461 126 G N -0.209 108.590 108.800 -0.001 0.000 3.718 126 G HA2 -0.473 3.487 3.960 0.000 0.000 0.224 126 G HA3 -0.473 3.487 3.960 0.000 0.000 0.224 126 G C 0.402 175.299 174.900 -0.005 0.000 1.328 126 G CA 0.540 45.637 45.100 -0.005 0.000 0.974 126 G HN 0.637 nan 8.290 nan 0.000 0.579 127 S N 1.729 117.427 115.700 -0.004 0.000 2.553 127 S HA 0.324 4.794 4.470 0.000 0.000 0.293 127 S C 1.926 176.524 174.600 -0.003 0.000 1.296 127 S CA 0.886 59.083 58.200 -0.005 0.000 1.046 127 S CB 0.572 63.769 63.200 -0.004 0.000 0.810 127 S HN 1.642 nan 8.310 nan 0.000 0.505 128 G N 2.056 110.852 108.800 -0.006 0.000 2.480 128 G HA2 -0.146 3.814 3.960 0.000 0.000 0.216 128 G HA3 -0.146 3.814 3.960 0.000 0.000 0.216 128 G C 1.064 175.961 174.900 -0.005 0.000 1.200 128 G CA 1.245 46.340 45.100 -0.008 0.000 0.782 128 G HN 0.991 nan 8.290 nan 0.000 0.554 129 T N -1.760 112.791 114.554 -0.005 0.000 3.269 129 T HA 0.707 5.057 4.350 0.000 0.000 0.269 129 T C 0.502 175.202 174.700 0.001 0.000 0.993 129 T CA 0.220 62.318 62.100 -0.003 0.000 0.909 129 T CB 0.589 69.454 68.868 -0.007 0.000 1.115 129 T HN 0.406 nan 8.240 nan 0.000 0.543 130 A N 1.371 124.193 122.820 0.003 0.000 2.371 130 A HA 0.581 4.901 4.320 0.000 0.000 0.257 130 A C 0.086 177.675 177.584 0.008 0.000 1.089 130 A CA -0.557 51.482 52.037 0.004 0.000 0.794 130 A CB 0.332 19.333 19.000 0.002 0.000 1.029 130 A HN 0.633 nan 8.150 nan 0.000 0.488 131 E N 1.700 121.904 120.200 0.008 0.000 2.316 131 E HA 0.389 4.739 4.350 0.000 0.000 0.254 131 E C -0.513 176.091 176.600 0.008 0.000 0.902 131 E CA -0.626 55.781 56.400 0.011 0.000 0.801 131 E CB 1.687 31.394 29.700 0.013 0.000 1.270 131 E HN 0.434 nan 8.360 nan 0.000 0.414 132 V N 1.935 121.854 119.914 0.008 0.000 3.898 132 V HA 0.146 4.266 4.120 0.000 0.000 0.270 132 V C 0.397 176.495 176.094 0.006 0.000 0.952 132 V CA 0.122 62.424 62.300 0.004 0.000 0.958 132 V CB 0.570 32.394 31.823 0.001 0.000 1.230 132 V HN 0.760 nan 8.190 nan 0.000 0.425 133 E N -0.040 120.163 120.200 0.004 0.000 2.531 133 E HA 0.292 4.642 4.350 0.000 0.000 0.323 133 E C -2.020 174.582 176.600 0.003 0.000 0.908 133 E CA -0.568 55.835 56.400 0.005 0.000 0.792 133 E CB 1.128 30.831 29.700 0.005 0.000 1.360 133 E HN 0.379 nan 8.360 nan 0.000 0.394 134 L N 2.704 123.929 121.223 0.004 0.000 2.468 134 L HA 0.488 4.828 4.340 0.000 0.000 0.254 134 L C 0.093 176.964 176.870 0.001 0.000 1.171 134 L CA 0.122 54.963 54.840 0.000 0.000 0.809 134 L CB 0.484 42.543 42.059 -0.000 0.000 1.155 134 L HN 0.436 nan 8.230 nan 0.000 0.473 135 K N 0.004 120.403 120.400 -0.002 0.000 2.498 135 K HA 0.347 4.667 4.320 0.000 0.000 0.254 135 K C -1.105 175.493 176.600 -0.003 0.000 0.933 135 K CA -1.041 55.245 56.287 -0.001 0.000 0.806 135 K CB 1.992 34.492 32.500 -0.001 0.000 1.301 135 K HN 0.319 nan 8.250 nan 0.000 0.432 136 K N 0.774 121.173 120.400 -0.002 0.000 2.524 136 K HA -0.026 4.294 4.320 0.000 0.000 0.279 136 K C 0.783 177.380 176.600 -0.004 0.000 0.993 136 K CA 1.820 58.104 56.287 -0.004 0.000 1.030 136 K CB 0.039 32.538 32.500 -0.001 0.000 0.891 136 K HN 0.769 nan 8.250 nan 0.000 0.488 137 G N 2.291 111.087 108.800 -0.007 0.000 2.454 137 G HA2 -0.341 3.619 3.960 0.000 0.000 0.225 137 G HA3 -0.341 3.619 3.960 0.000 0.000 0.225 137 G C 0.268 175.165 174.900 -0.004 0.000 1.138 137 G CA 0.096 45.193 45.100 -0.005 0.000 0.667 137 G HN 1.022 nan 8.290 nan 0.000 0.512 138 A N 0.916 123.733 122.820 -0.004 0.000 2.547 138 A HA 0.545 4.865 4.320 0.000 0.000 0.233 138 A C 1.030 178.612 177.584 -0.003 0.000 1.067 138 A CA 1.823 53.858 52.037 -0.004 0.000 0.763 138 A CB -0.055 18.943 19.000 -0.005 0.000 1.007 138 A HN 1.997 nan 8.150 nan 0.000 0.506 139 T N -0.871 113.683 114.554 -0.000 0.000 2.943 139 T HA 0.653 5.003 4.350 0.000 0.000 0.284 139 T C -0.603 174.100 174.700 0.004 0.000 1.015 139 T CA -0.660 61.443 62.100 0.004 0.000 1.042 139 T CB 1.229 70.105 68.868 0.013 0.000 1.055 139 T HN 0.980 nan 8.240 nan 0.000 0.500 140 L N 0.827 122.056 121.223 0.011 0.000 2.464 140 L HA 0.614 4.954 4.340 0.000 0.000 0.266 140 L C -0.772 176.121 176.870 0.038 0.000 0.965 140 L CA -0.677 54.171 54.840 0.013 0.000 0.833 140 L CB 2.175 44.238 42.059 0.006 0.000 1.296 140 L HN 0.925 nan 8.230 nan 0.000 0.405 141 K N 5.228 125.656 120.400 0.046 0.000 2.213 141 K HA 0.576 4.896 4.320 0.000 0.000 0.270 141 K C -1.163 175.501 176.600 0.107 0.000 1.002 141 K CA -0.481 55.868 56.287 0.103 0.000 0.868 141 K CB 0.969 33.523 32.500 0.090 0.000 1.093 141 K HN 0.687 nan 8.250 nan 0.000 0.454 142 I N 4.275 124.929 120.570 0.140 0.000 2.304 142 I HA 0.138 4.308 4.170 0.000 0.000 0.291 142 I C -0.329 175.900 176.117 0.188 0.000 1.018 142 I CA -0.339 61.031 61.300 0.117 0.000 1.260 142 I CB 1.707 39.741 38.000 0.056 0.000 1.390 142 I HN 0.655 nan 8.210 nan 0.000 0.475 143 T N 6.808 121.488 114.554 0.210 0.000 2.888 143 T HA 0.386 4.736 4.350 0.000 0.000 0.284 143 T C 0.519 175.385 174.700 0.276 0.000 1.017 143 T CA -0.519 61.758 62.100 0.296 0.000 1.022 143 T CB 2.388 71.506 68.868 0.417 0.000 1.013 143 T HN 0.253 nan 8.240 nan 0.000 0.465 144 L N 1.101 122.475 121.223 0.251 0.000 2.664 144 L HA 0.279 4.619 4.340 0.000 0.000 0.233 144 L C 0.803 177.947 176.870 0.456 0.000 1.113 144 L CA 0.161 55.120 54.840 0.199 0.000 0.896 144 L CB -0.410 41.687 42.059 0.064 0.000 1.163 144 L HN 0.691 nan 8.230 nan 0.000 0.497 145 D N -0.059 120.559 120.400 0.363 0.000 2.356 145 D HA -0.079 4.561 4.640 0.000 0.000 0.272 145 D C 1.231 177.598 176.300 0.112 0.000 1.337 145 D CA 0.323 54.431 54.000 0.180 0.000 0.970 145 D CB 0.244 41.061 40.800 0.028 0.000 1.092 145 D HN 0.061 nan 8.370 nan 0.000 0.516 146 N N 3.501 122.248 118.700 0.078 0.000 2.405 146 N HA -0.256 4.484 4.740 0.000 0.000 0.189 146 N C 1.479 176.755 175.510 -0.390 0.000 1.021 146 N CA 1.008 53.918 53.050 -0.233 0.000 0.891 146 N CB -0.038 38.394 38.487 -0.091 0.000 0.955 146 N HN 0.610 nan 8.380 nan 0.000 0.443 147 A N 0.145 122.774 122.820 -0.319 0.000 2.019 147 A HA -0.131 4.189 4.320 0.000 0.000 0.219 147 A C 1.476 178.868 177.584 -0.320 0.000 1.164 147 A CA 0.960 52.778 52.037 -0.365 0.000 0.644 147 A CB -0.596 18.111 19.000 -0.490 0.000 0.805 147 A HN 0.447 nan 8.150 nan 0.000 0.449 148 Y N -0.258 119.908 120.300 -0.224 0.000 2.457 148 Y HA 0.094 4.644 4.550 0.000 0.000 0.263 148 Y C 2.222 177.934 175.900 -0.313 0.000 1.164 148 Y CA 0.073 58.066 58.100 -0.177 0.000 1.274 148 Y CB -0.195 38.254 38.460 -0.020 0.000 1.097 148 Y HN 0.465 nan 8.280 nan 0.000 0.523 149 M N -0.595 118.625 119.600 -0.633 0.000 2.530 149 M HA -0.135 4.345 4.480 0.000 0.000 0.261 149 M C 0.128 176.245 176.300 -0.306 0.000 1.067 149 M CA 1.890 56.629 55.300 -0.936 0.000 1.071 149 M CB -0.143 31.407 32.600 -1.750 0.000 1.405 149 M HN 0.165 nan 8.290 nan 0.000 0.478 150 E N 0.623 120.724 120.200 -0.165 0.000 2.810 150 E HA 0.194 4.544 4.350 0.000 0.000 0.214 150 E C -0.413 176.181 176.600 -0.010 0.000 0.980 150 E CA -0.073 56.287 56.400 -0.066 0.000 1.159 150 E CB 0.701 30.351 29.700 -0.083 0.000 1.047 150 E HN 0.563 nan 8.360 nan 0.000 0.484 151 K N 0.758 121.173 120.400 0.025 0.000 3.084 151 K HA 0.286 4.606 4.320 0.000 0.000 0.210 151 K C -0.625 175.965 176.600 -0.016 0.000 1.137 151 K CA -0.272 56.033 56.287 0.030 0.000 1.010 151 K CB 0.620 33.191 32.500 0.118 0.000 0.806 151 K HN -0.022 nan 8.250 nan 0.000 0.460 152 C N 2.668 121.980 119.300 0.020 0.000 2.585 152 C HA 0.261 4.721 4.460 0.000 0.000 0.406 152 C C 0.287 175.269 174.990 -0.014 0.000 1.312 152 C CA -0.171 58.858 59.018 0.019 0.000 1.924 152 C CB -0.744 27.047 27.740 0.085 0.000 2.578 152 C HN 0.720 nan 8.230 nan 0.000 0.580 153 D N 0.395 120.771 120.400 -0.042 0.000 2.639 153 D HA 0.170 4.810 4.640 0.000 0.000 0.271 153 D C 0.687 176.964 176.300 -0.039 0.000 1.254 153 D CA -0.611 53.365 54.000 -0.040 0.000 0.810 153 D CB 0.321 41.086 40.800 -0.059 0.000 1.351 153 D HN 0.485 nan 8.370 nan 0.000 0.427 154 E N 0.282 120.465 120.200 -0.028 0.000 2.449 154 E HA -0.318 4.032 4.350 0.000 0.000 0.206 154 E C -0.106 176.477 176.600 -0.029 0.000 1.064 154 E CA 1.647 58.034 56.400 -0.022 0.000 0.875 154 E CB -0.639 29.050 29.700 -0.018 0.000 0.796 154 E HN 0.553 nan 8.360 nan 0.000 0.550 155 N N 0.010 118.681 118.700 -0.050 0.000 2.529 155 N HA 0.221 4.961 4.740 0.000 0.000 0.231 155 N C 0.272 175.743 175.510 -0.066 0.000 1.072 155 N CA 0.273 53.291 53.050 -0.054 0.000 0.854 155 N CB 0.678 39.124 38.487 -0.068 0.000 1.465 155 N HN 0.188 nan 8.380 nan 0.000 0.452 156 I N -0.146 120.355 120.570 -0.116 0.000 2.406 156 I HA 0.558 4.728 4.170 0.000 0.000 0.290 156 I C -1.358 174.737 176.117 -0.036 0.000 0.999 156 I CA -1.109 60.117 61.300 -0.123 0.000 1.124 156 I CB 1.753 39.522 38.000 -0.385 0.000 1.289 156 I HN -0.186 nan 8.210 nan 0.000 0.441 157 L N 6.464 127.719 121.223 0.052 0.000 2.381 157 L HA 0.588 4.928 4.340 0.000 0.000 0.274 157 L C -1.324 175.663 176.870 0.196 0.000 0.988 157 L CA -0.154 54.749 54.840 0.106 0.000 0.824 157 L CB 1.821 43.919 42.059 0.065 0.000 1.263 157 L HN 0.769 nan 8.230 nan 0.000 0.410 158 W N 6.249 127.584 121.300 0.059 0.000 2.516 158 W HA 0.748 5.408 4.660 0.000 0.000 0.343 158 W C -1.580 174.983 176.519 0.072 0.000 1.094 158 W CA -0.566 56.829 57.345 0.084 0.000 1.250 158 W CB 1.108 30.629 29.460 0.102 0.000 1.308 158 W HN 0.405 nan 8.180 nan 0.000 0.588 159 L N 4.756 125.374 121.223 -1.008 0.000 2.393 159 L HA 0.278 4.618 4.340 0.000 0.000 0.260 159 L C 0.537 176.653 176.870 -1.257 0.000 1.002 159 L CA -0.940 53.401 54.840 -0.832 0.000 0.818 159 L CB 2.305 44.141 42.059 -0.372 0.000 1.369 159 L HN 0.467 nan 8.230 nan 0.000 0.412 160 D N -0.002 119.977 120.400 -0.702 0.000 2.091 160 D HA -0.148 4.492 4.640 0.000 0.000 0.199 160 D C 0.518 176.708 176.300 -0.184 0.000 0.980 160 D CA 1.371 55.112 54.000 -0.431 0.000 0.831 160 D CB 0.072 40.789 40.800 -0.138 0.000 0.987 160 D HN 0.319 nan 8.370 nan 0.000 0.460 161 Y N 3.040 123.184 120.300 -0.260 0.000 2.828 161 Y HA -0.050 4.500 4.550 0.000 0.000 0.359 161 Y C 1.219 177.017 175.900 -0.171 0.000 1.258 161 Y CA -0.198 57.798 58.100 -0.173 0.000 1.652 161 Y CB -0.079 38.293 38.460 -0.147 0.000 1.232 161 Y HN -0.172 nan 8.280 nan 0.000 0.513 162 K N 2.991 123.289 120.400 -0.170 0.000 2.262 162 K HA -0.056 4.264 4.320 0.000 0.000 0.200 162 K C 1.372 177.749 176.600 -0.372 0.000 1.049 162 K CA 0.419 56.569 56.287 -0.227 0.000 0.979 162 K CB 0.204 32.661 32.500 -0.071 0.000 0.773 162 K HN 0.482 nan 8.250 nan 0.000 0.474 163 N N 2.195 120.566 118.700 -0.549 0.000 2.501 163 N HA -0.051 4.689 4.740 0.000 0.000 0.195 163 N C 1.319 176.332 175.510 -0.829 0.000 1.213 163 N CA 0.098 52.835 53.050 -0.521 0.000 0.864 163 N CB 0.064 38.401 38.487 -0.251 0.000 0.999 163 N HN 0.260 nan 8.380 nan 0.000 0.454 164 I N 0.138 120.059 120.570 -1.081 0.000 2.091 164 I HA -0.389 3.781 4.170 0.000 0.000 0.239 164 I C 1.719 177.656 176.117 -0.300 0.000 1.061 164 I CA 1.458 62.321 61.300 -0.729 0.000 1.317 164 I CB -0.247 37.514 38.000 -0.399 0.000 1.031 164 I HN 0.139 nan 8.210 nan 0.000 0.401 165 C N 1.087 120.249 119.300 -0.231 0.000 2.401 165 C HA -0.153 4.307 4.460 0.000 0.000 0.286 165 C C 2.450 177.368 174.990 -0.121 0.000 1.332 165 C CA 1.099 60.026 59.018 -0.152 0.000 1.795 165 C CB -1.525 26.127 27.740 -0.146 0.000 1.922 165 C HN 0.508 nan 8.230 nan 0.000 0.520 166 K N 0.608 120.928 120.400 -0.132 0.000 2.418 166 K HA 0.023 4.343 4.320 0.000 0.000 0.195 166 K C 1.650 178.223 176.600 -0.045 0.000 1.035 166 K CA 1.069 57.306 56.287 -0.083 0.000 1.003 166 K CB 0.074 32.526 32.500 -0.081 0.000 0.793 166 K HN 0.597 nan 8.250 nan 0.000 0.494 167 V N -3.181 116.713 119.914 -0.034 0.000 3.570 167 V HA 0.182 4.302 4.120 0.000 0.000 0.257 167 V C 0.619 176.729 176.094 0.028 0.000 1.272 167 V CA -0.495 61.822 62.300 0.028 0.000 1.079 167 V CB 0.534 32.428 31.823 0.118 0.000 0.829 167 V HN -0.037 nan 8.190 nan 0.000 0.454 168 V N 2.000 121.917 119.914 0.005 0.000 2.644 168 V HA 0.563 4.683 4.120 0.000 0.000 0.295 168 V C -0.166 175.919 176.094 -0.016 0.000 1.053 168 V CA -0.207 62.096 62.300 0.006 0.000 0.987 168 V CB 1.564 33.388 31.823 0.002 0.000 1.006 168 V HN 0.552 nan 8.190 nan 0.000 0.472 169 E N 3.381 123.576 120.200 -0.008 0.000 2.281 169 E HA 0.447 4.797 4.350 0.000 0.000 0.257 169 E C -0.976 175.610 176.600 -0.022 0.000 0.971 169 E CA -0.733 55.657 56.400 -0.017 0.000 0.839 169 E CB 1.967 31.663 29.700 -0.007 0.000 1.238 169 E HN 0.508 nan 8.360 nan 0.000 0.412 170 V N 0.903 120.802 119.914 -0.026 0.000 2.470 170 V HA 0.371 4.491 4.120 0.000 0.000 0.276 170 V C 1.202 177.287 176.094 -0.016 0.000 1.040 170 V CA 1.489 63.773 62.300 -0.027 0.000 1.008 170 V CB 0.335 32.140 31.823 -0.030 0.000 0.990 170 V HN 0.990 nan 8.190 nan 0.000 0.477 171 G N 3.775 112.566 108.800 -0.015 0.000 2.211 171 G HA2 -0.201 3.759 3.960 0.000 0.000 0.201 171 G HA3 -0.201 3.759 3.960 0.000 0.000 0.201 171 G C 0.403 175.301 174.900 -0.003 0.000 0.997 171 G CA 0.073 45.168 45.100 -0.008 0.000 0.652 171 G HN 0.676 nan 8.290 nan 0.000 0.500 172 S N 0.324 116.023 115.700 -0.003 0.000 2.600 172 S HA 0.600 5.070 4.470 0.000 0.000 0.265 172 S C 0.266 174.860 174.600 -0.009 0.000 1.325 172 S CA 0.192 58.398 58.200 0.009 0.000 1.002 172 S CB 1.243 64.453 63.200 0.016 0.000 0.921 172 S HN 0.377 nan 8.310 nan 0.000 0.554 173 K N 1.044 121.449 120.400 0.008 0.000 2.207 173 K HA 0.629 4.949 4.320 0.000 0.000 0.255 173 K C -0.937 175.626 176.600 -0.062 0.000 0.941 173 K CA -0.156 56.084 56.287 -0.079 0.000 0.825 173 K CB 1.058 33.527 32.500 -0.051 0.000 1.119 173 K HN 0.428 nan 8.250 nan 0.000 0.430 174 I N 3.518 123.964 120.570 -0.208 0.000 2.447 174 I HA 0.323 4.493 4.170 0.000 0.000 0.287 174 I C -1.091 174.892 176.117 -0.224 0.000 1.023 174 I CA -0.909 60.340 61.300 -0.084 0.000 1.083 174 I CB 1.198 39.172 38.000 -0.044 0.000 1.245 174 I HN 0.497 nan 8.210 nan 0.000 0.434 175 Y N 4.987 125.304 120.300 0.027 0.000 2.387 175 Y HA 0.676 5.226 4.550 0.000 0.000 0.336 175 Y C -0.103 175.816 175.900 0.031 0.000 1.067 175 Y CA -0.918 57.199 58.100 0.029 0.000 1.114 175 Y CB 2.025 40.503 38.460 0.031 0.000 1.208 175 Y HN 0.133 nan 8.280 nan 0.000 0.458 176 V N 1.668 121.677 119.914 0.159 0.000 2.709 176 V HA 0.288 4.408 4.120 0.000 0.000 0.308 176 V C -0.939 175.220 176.094 0.108 0.000 1.062 176 V CA -1.251 61.115 62.300 0.110 0.000 0.901 176 V CB 1.705 33.567 31.823 0.066 0.000 1.003 176 V HN 0.880 nan 8.190 nan 0.000 0.425 177 D N 3.445 123.903 120.400 0.097 0.000 3.437 177 D HA -0.184 4.456 4.640 0.000 0.000 0.243 177 D C 0.122 176.475 176.300 0.089 0.000 1.104 177 D CA 1.256 55.309 54.000 0.087 0.000 1.009 177 D CB -0.864 39.980 40.800 0.073 0.000 0.937 177 D HN 1.063 nan 8.370 nan 0.000 0.417 178 D N 1.732 122.185 120.400 0.088 0.000 2.735 178 D HA -0.128 4.512 4.640 0.000 0.000 0.235 178 D C 1.213 177.557 176.300 0.074 0.000 1.175 178 D CA 2.399 56.441 54.000 0.069 0.000 0.683 178 D CB -1.033 39.800 40.800 0.055 0.000 1.008 178 D HN 1.235 nan 8.370 nan 0.000 0.416 179 G N 0.091 108.958 108.800 0.112 0.000 2.352 179 G HA2 -0.344 3.616 3.960 0.000 0.000 0.295 179 G HA3 -0.344 3.616 3.960 0.000 0.000 0.295 179 G C 1.187 176.214 174.900 0.212 0.000 0.991 179 G CA 0.771 45.980 45.100 0.180 0.000 0.796 179 G HN 0.589 nan 8.290 nan 0.000 0.511 180 L N -0.904 120.407 121.223 0.146 0.000 2.162 180 L HA 0.189 4.529 4.340 0.000 0.000 0.205 180 L C 1.084 178.019 176.870 0.107 0.000 1.086 180 L CA 0.531 55.436 54.840 0.109 0.000 0.778 180 L CB -0.139 41.964 42.059 0.074 0.000 0.928 180 L HN 0.194 nan 8.230 nan 0.000 0.446 181 I N 0.077 120.710 120.570 0.104 0.000 2.339 181 I HA 0.209 4.379 4.170 0.000 0.000 0.290 181 I C 0.227 176.348 176.117 0.007 0.000 0.994 181 I CA -0.165 61.165 61.300 0.050 0.000 1.191 181 I CB 1.084 39.104 38.000 0.033 0.000 1.343 181 I HN -0.009 nan 8.210 nan 0.000 0.458 182 S N 7.493 123.142 115.700 -0.085 0.000 2.578 182 S HA 0.918 5.388 4.470 0.000 0.000 0.301 182 S C -0.719 173.733 174.600 -0.247 0.000 1.091 182 S CA -0.713 57.279 58.200 -0.348 0.000 1.032 182 S CB 2.295 65.230 63.200 -0.442 0.000 1.064 182 S HN 0.498 nan 8.310 nan 0.000 0.508 183 L N 1.120 122.160 121.223 -0.304 0.000 2.376 183 L HA 0.628 4.968 4.340 0.000 0.000 0.258 183 L C -0.674 176.096 176.870 -0.166 0.000 1.013 183 L CA -0.757 53.982 54.840 -0.169 0.000 0.822 183 L CB 2.350 44.344 42.059 -0.108 0.000 1.388 183 L HN 0.799 nan 8.230 nan 0.000 0.413 184 Q N 0.756 120.499 119.800 -0.096 0.000 2.321 184 Q HA 0.447 4.787 4.340 0.000 0.000 0.270 184 Q C -1.473 174.501 176.000 -0.044 0.000 1.032 184 Q CA -0.693 55.067 55.803 -0.071 0.000 0.784 184 Q CB 2.476 31.182 28.738 -0.053 0.000 1.264 184 Q HN 0.462 nan 8.270 nan 0.000 0.448 185 V N 6.248 126.139 119.914 -0.038 0.000 2.400 185 V HA -0.021 4.099 4.120 0.000 0.000 0.263 185 V C 0.839 176.916 176.094 -0.028 0.000 1.026 185 V CA 0.329 62.610 62.300 -0.032 0.000 1.077 185 V CB 0.108 31.911 31.823 -0.033 0.000 1.054 185 V HN 0.799 nan 8.190 nan 0.000 0.477 186 K N 3.452 123.838 120.400 -0.022 0.000 2.044 186 K HA 0.096 4.416 4.320 0.000 0.000 0.204 186 K C 0.362 176.947 176.600 -0.024 0.000 1.045 186 K CA 0.956 57.233 56.287 -0.017 0.000 0.951 186 K CB 0.225 32.722 32.500 -0.005 0.000 0.738 186 K HN 0.668 nan 8.250 nan 0.000 0.443 187 Q N 0.467 120.247 119.800 -0.034 0.000 2.305 187 Q HA 0.289 4.629 4.340 0.000 0.000 0.271 187 Q C -1.102 174.824 176.000 -0.125 0.000 1.046 187 Q CA -0.448 55.319 55.803 -0.061 0.000 0.798 187 Q CB 2.895 31.612 28.738 -0.036 0.000 1.286 187 Q HN -0.093 nan 8.270 nan 0.000 0.435 188 K N 1.893 122.203 120.400 -0.149 0.000 2.263 188 K HA 0.391 4.711 4.320 0.000 0.000 0.282 188 K C -0.053 176.341 176.600 -0.344 0.000 1.089 188 K CA -0.120 56.041 56.287 -0.211 0.000 0.907 188 K CB 0.493 32.908 32.500 -0.143 0.000 1.148 188 K HN 0.820 nan 8.250 nan 0.000 0.470 189 G N 2.027 110.436 108.800 -0.651 0.000 2.494 189 G HA2 0.279 4.239 3.960 0.000 0.000 0.270 189 G HA3 0.279 4.239 3.960 0.000 0.000 0.270 189 G C 0.650 175.222 174.900 -0.548 0.000 1.423 189 G CA 0.196 44.664 45.100 -1.054 0.000 1.055 189 G HN 0.666 nan 8.290 nan 0.000 0.536 190 A N -0.791 121.806 122.820 -0.373 0.000 1.887 190 A HA 0.166 4.486 4.320 0.000 0.000 0.212 190 A C 1.708 179.280 177.584 -0.021 0.000 1.198 190 A CA 2.024 54.009 52.037 -0.086 0.000 0.628 190 A CB -0.124 18.906 19.000 0.050 0.000 0.847 190 A HN 0.654 nan 8.150 nan 0.000 0.449 191 D N -2.471 118.008 120.400 0.131 0.000 2.500 191 D HA 0.308 4.948 4.640 0.000 0.000 0.217 191 D C 0.121 176.571 176.300 0.250 0.000 1.159 191 D CA -0.374 53.724 54.000 0.164 0.000 0.828 191 D CB 0.135 41.053 40.800 0.197 0.000 1.039 191 D HN 0.413 nan 8.370 nan 0.000 0.512 192 F N -0.635 119.319 119.950 0.006 0.000 2.675 192 F HA 0.740 5.267 4.527 0.000 0.000 0.324 192 F C -1.825 173.973 175.800 -0.004 0.000 1.106 192 F CA -1.806 56.202 58.000 0.013 0.000 0.970 192 F CB 1.134 40.160 39.000 0.042 0.000 1.385 192 F HN -0.264 nan 8.300 nan 0.000 0.489 193 L N 1.811 123.075 121.223 0.068 0.000 2.431 193 L HA 0.643 4.983 4.340 0.000 0.000 0.266 193 L C -1.321 175.607 176.870 0.097 0.000 0.978 193 L CA -1.237 53.577 54.840 -0.043 0.000 0.822 193 L CB 2.289 44.325 42.059 -0.037 0.000 1.310 193 L HN 0.547 nan 8.230 nan 0.000 0.409 194 V N 1.536 121.481 119.914 0.052 0.000 2.311 194 V HA 0.350 4.470 4.120 0.000 0.000 0.275 194 V C 0.560 176.673 176.094 0.032 0.000 1.022 194 V CA -0.325 62.031 62.300 0.093 0.000 0.830 194 V CB 1.154 33.042 31.823 0.109 0.000 1.012 194 V HN 0.942 nan 8.190 nan 0.000 0.452 195 T N 1.416 115.986 114.554 0.027 0.000 2.892 195 T HA 0.701 5.051 4.350 0.000 0.000 0.280 195 T C -0.468 174.230 174.700 -0.003 0.000 1.004 195 T CA -0.720 61.379 62.100 -0.001 0.000 0.950 195 T CB 2.336 71.195 68.868 -0.014 0.000 1.309 195 T HN 0.589 nan 8.240 nan 0.000 0.592 196 E N 0.147 120.336 120.200 -0.018 0.000 2.287 196 E HA 0.438 4.788 4.350 0.000 0.000 0.274 196 E C -1.423 175.158 176.600 -0.031 0.000 0.896 196 E CA -0.784 55.605 56.400 -0.017 0.000 0.788 196 E CB 2.205 31.897 29.700 -0.014 0.000 1.244 196 E HN 0.557 nan 8.360 nan 0.000 0.408 197 V N 5.106 125.005 119.914 -0.026 0.000 2.493 197 V HA -0.041 4.079 4.120 0.000 0.000 0.292 197 V C 1.205 177.280 176.094 -0.032 0.000 1.016 197 V CA 0.768 63.049 62.300 -0.032 0.000 1.097 197 V CB 0.770 32.581 31.823 -0.019 0.000 0.947 197 V HN 0.780 nan 8.190 nan 0.000 0.479 198 E N 3.520 123.691 120.200 -0.048 0.000 2.190 198 E HA 0.008 4.358 4.350 0.000 0.000 0.191 198 E C -0.050 176.540 176.600 -0.017 0.000 0.978 198 E CA 0.773 57.151 56.400 -0.036 0.000 0.839 198 E CB 0.233 29.900 29.700 -0.055 0.000 0.787 198 E HN 0.963 nan 8.360 nan 0.000 0.473 199 N N -0.444 118.246 118.700 -0.017 0.000 2.455 199 N HA 0.275 5.015 4.740 0.000 0.000 0.285 199 N C -0.173 175.339 175.510 0.002 0.000 1.080 199 N CA -0.398 52.653 53.050 0.002 0.000 0.932 199 N CB 1.512 40.011 38.487 0.019 0.000 1.610 199 N HN -0.050 nan 8.380 nan 0.000 0.493 200 G N 0.483 109.286 108.800 0.006 0.000 2.935 200 G HA2 0.662 4.622 3.960 0.000 0.000 0.157 200 G HA3 0.662 4.622 3.960 0.000 0.000 0.157 200 G C 0.382 175.291 174.900 0.015 0.000 1.712 200 G CA 0.020 45.124 45.100 0.007 0.000 1.071 200 G HN 1.246 nan 8.290 nan 0.000 0.539 201 G N -2.111 106.698 108.800 0.015 0.000 2.462 201 G HA2 0.393 4.353 3.960 0.000 0.000 0.685 201 G HA3 0.393 4.353 3.960 0.000 0.000 0.685 201 G C -0.022 174.888 174.900 0.018 0.000 1.295 201 G CA 0.355 45.466 45.100 0.019 0.000 0.941 201 G HN 1.793 nan 8.290 nan 0.000 0.554 202 S N -1.173 114.539 115.700 0.020 0.000 2.617 202 S HA 0.711 5.181 4.470 0.000 0.000 0.269 202 S C -0.193 174.422 174.600 0.024 0.000 1.292 202 S CA -0.119 58.092 58.200 0.019 0.000 1.010 202 S CB 1.871 65.081 63.200 0.017 0.000 0.944 202 S HN 2.041 nan 8.310 nan 0.000 0.536 203 L N 2.092 123.328 121.223 0.023 0.000 2.372 203 L HA 0.766 5.106 4.340 0.000 0.000 0.273 203 L C 0.206 177.095 176.870 0.031 0.000 0.989 203 L CA -0.092 54.766 54.840 0.029 0.000 0.841 203 L CB 0.950 43.026 42.059 0.028 0.000 1.225 203 L HN 0.963 nan 8.230 nan 0.000 0.414 204 G N 2.651 111.472 108.800 0.036 0.000 2.510 204 G HA2 0.499 4.459 3.960 0.000 0.000 0.280 204 G HA3 0.499 4.459 3.960 0.000 0.000 0.280 204 G C -0.639 174.289 174.900 0.046 0.000 1.386 204 G CA -0.560 44.560 45.100 0.034 0.000 1.047 204 G HN 0.653 nan 8.290 nan 0.000 0.527 205 S N -0.577 115.149 115.700 0.043 0.000 2.632 205 S HA 0.311 4.781 4.470 0.000 0.000 0.267 205 S C -0.202 174.444 174.600 0.076 0.000 1.276 205 S CA -0.520 57.715 58.200 0.059 0.000 0.998 205 S CB 0.830 64.056 63.200 0.043 0.000 0.953 205 S HN 0.520 nan 8.310 nan 0.000 0.547 206 K N 0.999 121.463 120.400 0.106 0.000 4.768 206 K HA -0.191 4.129 4.320 0.000 0.000 0.286 206 K C -0.493 176.176 176.600 0.116 0.000 0.770 206 K CA 0.594 56.956 56.287 0.126 0.000 0.824 206 K CB -0.906 31.672 32.500 0.130 0.000 1.900 206 K HN 0.248 nan 8.250 nan 0.000 0.407 207 K N 0.513 120.975 120.400 0.102 0.000 2.258 207 K HA 0.429 4.749 4.320 0.000 0.000 0.236 207 K C 0.671 177.325 176.600 0.090 0.000 1.008 207 K CA -0.593 55.752 56.287 0.096 0.000 0.869 207 K CB 1.443 33.992 32.500 0.082 0.000 1.171 207 K HN 0.408 nan 8.250 nan 0.000 0.447 208 G N -0.033 108.824 108.800 0.094 0.000 2.432 208 G HA2 0.424 4.384 3.960 0.000 0.000 0.257 208 G HA3 0.424 4.384 3.960 0.000 0.000 0.257 208 G C -0.776 174.174 174.900 0.083 0.000 1.238 208 G CA -0.333 44.819 45.100 0.087 0.000 0.838 208 G HN 0.162 nan 8.290 nan 0.000 0.547 209 V N 2.518 122.472 119.914 0.066 0.000 2.483 209 V HA 0.313 4.433 4.120 0.000 0.000 0.297 209 V C -0.595 175.547 176.094 0.079 0.000 1.027 209 V CA -1.093 61.251 62.300 0.073 0.000 0.855 209 V CB 1.744 33.591 31.823 0.040 0.000 0.995 209 V HN 0.752 nan 8.190 nan 0.000 0.424 210 N N 3.912 122.696 118.700 0.139 0.000 2.361 210 N HA 0.715 5.455 4.740 0.000 0.000 0.302 210 N C -0.866 174.750 175.510 0.177 0.000 1.074 210 N CA -0.591 52.542 53.050 0.138 0.000 0.850 210 N CB 2.025 40.588 38.487 0.127 0.000 1.228 210 N HN 0.597 nan 8.380 nan 0.000 0.491 211 L N 2.381 123.678 121.223 0.123 0.000 2.581 211 L HA 0.450 4.790 4.340 0.000 0.000 0.241 211 L C -2.358 174.585 176.870 0.121 0.000 1.265 211 L CA -1.742 53.175 54.840 0.128 0.000 0.954 211 L CB 0.588 42.706 42.059 0.099 0.000 1.269 211 L HN 0.259 nan 8.230 nan 0.000 0.475 212 P HA -0.014 nan 4.420 nan 0.000 0.264 212 P C 0.916 178.282 177.300 0.110 0.000 1.179 212 P CA 0.546 63.716 63.100 0.118 0.000 0.763 212 P CB 0.594 32.369 31.700 0.125 0.000 0.806 213 G N 1.507 110.369 108.800 0.104 0.000 2.393 213 G HA2 0.026 3.986 3.960 0.000 0.000 0.299 213 G HA3 0.026 3.986 3.960 0.000 0.000 0.299 213 G C 0.048 174.988 174.900 0.066 0.000 0.990 213 G CA 0.190 45.343 45.100 0.088 0.000 1.118 213 G HN 0.816 nan 8.290 nan 0.000 0.513 214 A N -0.578 122.279 122.820 0.063 0.000 2.459 214 A HA 0.945 5.265 4.320 0.000 0.000 0.296 214 A C 0.139 177.751 177.584 0.046 0.000 1.039 214 A CA 0.294 52.365 52.037 0.057 0.000 0.698 214 A CB 1.410 20.454 19.000 0.074 0.000 1.261 214 A HN 2.088 nan 8.150 nan 0.000 0.405 215 A N 2.307 125.152 122.820 0.041 0.000 2.915 215 A HA 0.490 4.810 4.320 0.000 0.000 0.292 215 A C 0.540 178.149 177.584 0.041 0.000 1.632 215 A CA 0.095 52.149 52.037 0.029 0.000 1.337 215 A CB -1.326 17.687 19.000 0.022 0.000 1.111 215 A HN 1.965 nan 8.150 nan 0.000 0.569 216 V N 0.864 120.777 119.914 -0.001 0.000 2.450 216 V HA 0.176 4.296 4.120 0.000 0.000 0.281 216 V C 0.524 176.568 176.094 -0.084 0.000 1.019 216 V CA 0.115 62.367 62.300 -0.079 0.000 1.062 216 V CB 0.099 31.719 31.823 -0.339 0.000 0.979 216 V HN 0.744 nan 8.190 nan 0.000 0.477 217 D N 3.659 124.076 120.400 0.029 0.000 2.352 217 D HA 0.059 4.699 4.640 0.000 0.000 0.232 217 D C 0.605 176.892 176.300 -0.021 0.000 1.055 217 D CA -0.138 53.878 54.000 0.027 0.000 0.891 217 D CB -0.333 40.520 40.800 0.088 0.000 0.897 217 D HN 0.619 nan 8.370 nan 0.000 0.529 218 L N 0.320 121.452 121.223 -0.151 0.000 2.516 218 L HA 0.107 4.447 4.340 0.000 0.000 0.288 218 L C -1.746 175.070 176.870 -0.089 0.000 1.246 218 L CA -1.323 53.425 54.840 -0.153 0.000 0.844 218 L CB -0.241 41.621 42.059 -0.329 0.000 1.106 218 L HN -0.101 nan 8.230 nan 0.000 0.509 219 P HA 0.039 nan 4.420 nan 0.000 0.271 219 P C 0.071 177.357 177.300 -0.023 0.000 1.226 219 P CA -0.019 63.068 63.100 -0.022 0.000 0.765 219 P CB 1.122 32.821 31.700 -0.003 0.000 0.835 220 A N 3.872 126.689 122.820 -0.006 0.000 1.873 220 A HA -0.113 4.207 4.320 0.000 0.000 0.218 220 A C 0.850 178.447 177.584 0.020 0.000 1.193 220 A CA 1.660 53.703 52.037 0.010 0.000 0.629 220 A CB -0.823 18.185 19.000 0.014 0.000 0.826 220 A HN 0.435 nan 8.150 nan 0.000 0.447 221 V N 1.313 121.239 119.914 0.020 0.000 2.284 221 V HA 0.354 4.474 4.120 0.000 0.000 0.274 221 V C 0.517 176.627 176.094 0.026 0.000 1.023 221 V CA -0.204 62.112 62.300 0.028 0.000 0.808 221 V CB 0.503 32.344 31.823 0.030 0.000 1.035 221 V HN 0.627 nan 8.190 nan 0.000 0.445 222 S N 2.824 118.539 115.700 0.025 0.000 2.626 222 S HA 0.191 4.661 4.470 0.000 0.000 0.257 222 S C 1.195 175.819 174.600 0.040 0.000 1.288 222 S CA 0.418 58.633 58.200 0.026 0.000 0.980 222 S CB 1.200 64.412 63.200 0.020 0.000 0.975 222 S HN 0.683 nan 8.310 nan 0.000 0.577 223 E N 1.001 121.226 120.200 0.042 0.000 2.017 223 E HA -0.190 4.160 4.350 0.000 0.000 0.193 223 E C 2.044 178.683 176.600 0.065 0.000 0.997 223 E CA 2.045 58.475 56.400 0.049 0.000 0.804 223 E CB -0.480 29.247 29.700 0.045 0.000 0.757 223 E HN 0.758 nan 8.360 nan 0.000 0.448 224 K N -0.015 120.426 120.400 0.069 0.000 2.113 224 K HA -0.217 4.103 4.320 0.000 0.000 0.208 224 K C 1.552 178.229 176.600 0.127 0.000 1.047 224 K CA 1.876 58.221 56.287 0.097 0.000 0.928 224 K CB -0.220 32.335 32.500 0.091 0.000 0.716 224 K HN 0.165 nan 8.250 nan 0.000 0.446 225 D N 0.964 121.422 120.400 0.096 0.000 2.104 225 D HA -0.179 4.461 4.640 0.000 0.000 0.194 225 D C 1.993 178.340 176.300 0.079 0.000 0.994 225 D CA 1.420 55.471 54.000 0.086 0.000 0.830 225 D CB -0.233 40.602 40.800 0.059 0.000 0.959 225 D HN 0.338 nan 8.370 nan 0.000 0.452 226 I N 1.164 121.779 120.570 0.074 0.000 2.264 226 I HA -0.284 3.886 4.170 0.000 0.000 0.248 226 I C 2.483 178.662 176.117 0.103 0.000 1.111 226 I CA 0.952 62.294 61.300 0.070 0.000 1.382 226 I CB -0.238 37.799 38.000 0.062 0.000 1.060 226 I HN -0.004 nan 8.210 nan 0.000 0.418 227 Q N 0.772 120.658 119.800 0.144 0.000 1.993 227 Q HA -0.201 4.139 4.340 0.000 0.000 0.202 227 Q C 1.882 178.056 176.000 0.289 0.000 0.984 227 Q CA 1.626 57.566 55.803 0.229 0.000 0.837 227 Q CB -0.617 28.267 28.738 0.244 0.000 0.902 227 Q HN 0.553 nan 8.270 nan 0.000 0.423 228 D N 0.677 121.239 120.400 0.271 0.000 2.123 228 D HA -0.126 4.514 4.640 0.000 0.000 0.196 228 D C 2.245 178.547 176.300 0.003 0.000 0.992 228 D CA 0.790 54.891 54.000 0.168 0.000 0.833 228 D CB -0.186 40.719 40.800 0.176 0.000 0.954 228 D HN 0.186 nan 8.370 nan 0.000 0.455 229 L N 0.601 121.822 121.223 -0.002 0.000 2.046 229 L HA -0.167 4.173 4.340 0.000 0.000 0.208 229 L C 2.486 179.349 176.870 -0.013 0.000 1.077 229 L CA 1.225 56.038 54.840 -0.046 0.000 0.747 229 L CB -0.253 41.794 42.059 -0.020 0.000 0.896 229 L HN -0.060 nan 8.230 nan 0.000 0.432 230 K N -0.729 119.702 120.400 0.051 0.000 2.147 230 K HA -0.198 4.122 4.320 0.000 0.000 0.205 230 K C 2.016 178.648 176.600 0.055 0.000 1.049 230 K CA 1.350 57.669 56.287 0.054 0.000 0.936 230 K CB -0.198 32.355 32.500 0.088 0.000 0.722 230 K HN 0.120 nan 8.250 nan 0.000 0.446 231 F N 1.132 121.045 119.950 -0.062 0.000 2.186 231 F HA -0.081 4.447 4.527 0.000 0.000 0.299 231 F C 1.990 177.721 175.800 -0.115 0.000 1.090 231 F CA 1.629 59.566 58.000 -0.104 0.000 1.307 231 F CB -0.604 38.203 39.000 -0.320 0.000 1.019 231 F HN -0.024 nan 8.300 nan 0.000 0.489 232 G N 0.212 108.902 108.800 -0.184 0.000 2.418 232 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 232 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 232 G C 1.715 176.469 174.900 -0.244 0.000 1.158 232 G CA 1.285 46.219 45.100 -0.277 0.000 0.771 232 G HN 0.349 nan 8.290 nan 0.000 0.545 233 V N 0.923 120.739 119.914 -0.163 0.000 2.237 233 V HA -0.205 3.915 4.120 0.000 0.000 0.245 233 V C 2.638 178.646 176.094 -0.143 0.000 1.046 233 V CA 2.340 64.569 62.300 -0.119 0.000 1.007 233 V CB -0.771 31.012 31.823 -0.066 0.000 0.638 233 V HN 0.470 nan 8.190 nan 0.000 0.445 234 E N -0.255 119.846 120.200 -0.164 0.000 2.171 234 E HA -0.245 4.105 4.350 0.000 0.000 0.197 234 E C 2.166 178.625 176.600 -0.235 0.000 0.997 234 E CA 1.079 57.380 56.400 -0.165 0.000 0.810 234 E CB -0.136 29.480 29.700 -0.141 0.000 0.738 234 E HN 0.534 nan 8.360 nan 0.000 0.467 235 Q N 0.445 120.018 119.800 -0.377 0.000 2.403 235 Q HA -0.048 4.292 4.340 0.000 0.000 0.203 235 Q C -0.227 175.656 176.000 -0.195 0.000 0.932 235 Q CA 0.415 56.003 55.803 -0.357 0.000 0.945 235 Q CB 0.227 28.619 28.738 -0.576 0.000 1.045 235 Q HN 0.194 nan 8.270 nan 0.000 0.511 236 D N 0.072 120.378 120.400 -0.157 0.000 2.705 236 D HA -0.146 4.494 4.640 0.000 0.000 0.240 236 D C -0.470 175.778 176.300 -0.087 0.000 1.137 236 D CA 0.461 54.403 54.000 -0.096 0.000 0.677 236 D CB -1.114 39.648 40.800 -0.063 0.000 1.049 236 D HN 0.110 nan 8.370 nan 0.000 0.427 237 V N -1.820 118.026 119.914 -0.113 0.000 2.732 237 V HA 0.404 4.524 4.120 0.000 0.000 0.297 237 V C 1.435 177.482 176.094 -0.077 0.000 1.060 237 V CA -0.054 62.183 62.300 -0.106 0.000 1.038 237 V CB 1.676 33.405 31.823 -0.156 0.000 1.003 237 V HN 0.056 nan 8.190 nan 0.000 0.481 238 D N 3.199 123.564 120.400 -0.058 0.000 2.162 238 D HA 0.064 4.704 4.640 0.000 0.000 0.203 238 D C 0.749 177.032 176.300 -0.029 0.000 0.967 238 D CA 1.880 55.867 54.000 -0.022 0.000 0.840 238 D CB 0.202 41.010 40.800 0.013 0.000 0.972 238 D HN 0.829 nan 8.370 nan 0.000 0.482 239 M N -1.294 118.253 119.600 -0.088 0.000 2.622 239 M HA 0.551 5.031 4.480 0.000 0.000 0.276 239 M C -1.669 174.505 176.300 -0.210 0.000 1.265 239 M CA -0.948 54.301 55.300 -0.085 0.000 0.850 239 M CB 3.101 35.704 32.600 0.005 0.000 1.720 239 M HN -0.411 nan 8.290 nan 0.000 0.465 240 V N 2.152 122.000 119.914 -0.109 0.000 2.540 240 V HA 0.565 4.685 4.120 0.000 0.000 0.302 240 V C -1.428 174.739 176.094 0.121 0.000 1.035 240 V CA -0.403 61.819 62.300 -0.129 0.000 0.873 240 V CB 2.012 33.788 31.823 -0.077 0.000 0.992 240 V HN 0.683 nan 8.190 nan 0.000 0.428 241 F N 3.384 123.301 119.950 -0.056 0.000 2.308 241 F HA 0.661 5.188 4.527 0.000 0.000 0.370 241 F C 0.702 176.477 175.800 -0.042 0.000 1.100 241 F CA -1.567 56.406 58.000 -0.046 0.000 1.108 241 F CB 1.047 40.024 39.000 -0.038 0.000 1.293 241 F HN 0.527 nan 8.300 nan 0.000 0.478 242 A N 2.698 125.602 122.820 0.141 0.000 2.362 242 A HA 0.538 4.858 4.320 0.000 0.000 0.276 242 A C 0.443 178.062 177.584 0.058 0.000 1.153 242 A CA -0.217 51.865 52.037 0.076 0.000 0.813 242 A CB 0.110 19.136 19.000 0.043 0.000 1.081 242 A HN 0.605 nan 8.150 nan 0.000 0.507 243 S N 1.013 116.766 115.700 0.089 0.000 2.610 243 S HA 0.492 4.962 4.470 0.000 0.000 0.273 243 S C -0.144 174.564 174.600 0.178 0.000 1.274 243 S CA -0.223 58.024 58.200 0.079 0.000 1.023 243 S CB -0.142 63.184 63.200 0.211 0.000 0.962 243 S HN 0.719 nan 8.310 nan 0.000 0.523 244 F N 0.035 119.979 119.950 -0.010 0.000 2.970 244 F HA -0.164 4.363 4.527 0.000 0.000 0.251 244 F C 0.152 175.939 175.800 -0.021 0.000 0.993 244 F CA -0.161 57.828 58.000 -0.018 0.000 0.869 244 F CB -1.499 37.483 39.000 -0.030 0.000 0.762 244 F HN 0.349 nan 8.300 nan 0.000 0.817 245 I N 1.348 121.956 120.570 0.063 0.000 2.505 245 I HA 0.031 4.201 4.170 0.000 0.000 0.287 245 I C 1.513 177.644 176.117 0.024 0.000 1.104 245 I CA 0.496 61.813 61.300 0.028 0.000 1.387 245 I CB 0.878 38.866 38.000 -0.020 0.000 1.404 245 I HN 0.404 nan 8.210 nan 0.000 0.528 246 R N 5.310 125.825 120.500 0.026 0.000 2.123 246 R HA 0.121 4.461 4.340 0.000 0.000 0.209 246 R C 0.377 176.671 176.300 -0.010 0.000 1.078 246 R CA 0.492 56.605 56.100 0.022 0.000 1.028 246 R CB 0.368 30.686 30.300 0.030 0.000 0.939 246 R HN 0.570 nan 8.270 nan 0.000 0.463 247 K N -1.119 119.260 120.400 -0.035 0.000 2.263 247 K HA 0.562 4.882 4.320 0.000 0.000 0.249 247 K C 0.434 176.960 176.600 -0.123 0.000 1.076 247 K CA -0.253 55.996 56.287 -0.063 0.000 0.884 247 K CB 1.246 33.720 32.500 -0.044 0.000 1.394 247 K HN -0.126 nan 8.250 nan 0.000 0.476 248 A N 0.826 123.548 122.820 -0.163 0.000 1.898 248 A HA -0.166 4.154 4.320 0.000 0.000 0.216 248 A C 2.256 179.572 177.584 -0.447 0.000 1.181 248 A CA 2.290 54.134 52.037 -0.321 0.000 0.620 248 A CB -1.141 17.684 19.000 -0.291 0.000 0.819 248 A HN 0.854 nan 8.150 nan 0.000 0.442 249 S N 0.655 116.235 115.700 -0.201 0.000 2.387 249 S HA -0.271 4.199 4.470 0.000 0.000 0.230 249 S C 1.434 176.005 174.600 -0.049 0.000 1.035 249 S CA 1.813 59.985 58.200 -0.048 0.000 1.014 249 S CB -0.698 62.519 63.200 0.029 0.000 0.836 249 S HN 0.505 nan 8.310 nan 0.000 0.466 250 D N 1.509 121.867 120.400 -0.070 0.000 2.104 250 D HA -0.054 4.586 4.640 0.000 0.000 0.194 250 D C 2.145 178.416 176.300 -0.048 0.000 0.994 250 D CA 1.346 55.325 54.000 -0.036 0.000 0.830 250 D CB -0.732 40.051 40.800 -0.028 0.000 0.959 250 D HN 0.376 nan 8.370 nan 0.000 0.452 251 V N 0.574 120.412 119.914 -0.126 0.000 2.343 251 V HA -0.269 3.851 4.120 0.000 0.000 0.247 251 V C 2.029 178.112 176.094 -0.018 0.000 1.051 251 V CA 1.799 64.035 62.300 -0.106 0.000 1.036 251 V CB -0.749 30.962 31.823 -0.186 0.000 0.654 251 V HN 0.366 nan 8.190 nan 0.000 0.451 252 H N -0.115 118.948 119.070 -0.011 0.000 2.352 252 H HA -0.176 4.380 4.556 0.000 0.000 0.299 252 H C 2.466 177.793 175.328 -0.002 0.000 1.097 252 H CA 1.576 57.619 56.048 -0.008 0.000 1.311 252 H CB 0.084 29.841 29.762 -0.008 0.000 1.377 252 H HN 0.514 nan 8.280 nan 0.000 0.504 253 E N 0.306 120.579 120.200 0.120 0.000 2.118 253 E HA -0.147 4.203 4.350 0.000 0.000 0.195 253 E C 2.289 178.920 176.600 0.051 0.000 0.992 253 E CA 1.250 57.691 56.400 0.069 0.000 0.804 253 E CB 0.100 29.828 29.700 0.047 0.000 0.741 253 E HN 0.248 nan 8.360 nan 0.000 0.458 254 V N 1.104 121.044 119.914 0.044 0.000 2.515 254 V HA -0.190 3.930 4.120 0.000 0.000 0.250 254 V C 2.277 178.390 176.094 0.032 0.000 1.058 254 V CA 1.240 63.558 62.300 0.031 0.000 1.064 254 V CB -0.430 31.406 31.823 0.021 0.000 0.675 254 V HN 0.181 nan 8.190 nan 0.000 0.461 255 R N 0.489 121.019 120.500 0.051 0.000 2.070 255 R HA -0.149 4.191 4.340 0.000 0.000 0.233 255 R C 2.364 178.682 176.300 0.030 0.000 1.137 255 R CA 1.773 57.901 56.100 0.046 0.000 0.945 255 R CB -0.502 29.842 30.300 0.073 0.000 0.845 255 R HN 0.479 nan 8.270 nan 0.000 0.430 256 K N 0.362 120.782 120.400 0.035 0.000 2.020 256 K HA -0.145 4.175 4.320 0.000 0.000 0.212 256 K C 2.064 178.675 176.600 0.019 0.000 1.050 256 K CA 1.819 58.119 56.287 0.022 0.000 0.929 256 K CB -0.169 32.346 32.500 0.025 0.000 0.714 256 K HN -0.058 nan 8.250 nan 0.000 0.443 257 V N 1.610 121.537 119.914 0.023 0.000 2.252 257 V HA -0.298 3.822 4.120 0.000 0.000 0.249 257 V C 2.334 178.435 176.094 0.013 0.000 1.056 257 V CA 1.971 64.284 62.300 0.020 0.000 1.022 257 V CB -0.447 31.390 31.823 0.023 0.000 0.641 257 V HN 0.360 nan 8.190 nan 0.000 0.445 258 L N -0.336 120.891 121.223 0.007 0.000 2.191 258 L HA 0.077 4.417 4.340 0.000 0.000 0.212 258 L C 1.683 178.553 176.870 -0.000 0.000 1.103 258 L CA 0.869 55.707 54.840 -0.003 0.000 0.769 258 L CB -1.223 40.831 42.059 -0.007 0.000 0.908 258 L HN 0.610 nan 8.230 nan 0.000 0.438 259 G N 0.071 108.875 108.800 0.005 0.000 2.586 259 G HA2 -0.364 3.596 3.960 0.000 0.000 0.308 259 G HA3 -0.364 3.596 3.960 0.000 0.000 0.308 259 G C 0.765 175.665 174.900 0.001 0.000 1.317 259 G CA 0.400 45.502 45.100 0.004 0.000 0.922 259 G HN 0.253 nan 8.290 nan 0.000 0.551 260 E N 0.105 120.305 120.200 0.000 0.000 2.097 260 E HA -0.154 4.196 4.350 0.000 0.000 0.196 260 E C 2.648 179.246 176.600 -0.003 0.000 1.000 260 E CA 1.766 58.165 56.400 -0.001 0.000 0.804 260 E CB -0.260 29.439 29.700 -0.001 0.000 0.740 260 E HN 0.611 nan 8.360 nan 0.000 0.454 261 K N -1.025 119.372 120.400 -0.004 0.000 2.209 261 K HA -0.099 4.221 4.320 0.000 0.000 0.204 261 K C 1.523 178.116 176.600 -0.012 0.000 1.048 261 K CA 1.156 57.438 56.287 -0.008 0.000 0.940 261 K CB 0.019 32.514 32.500 -0.009 0.000 0.729 261 K HN 0.048 nan 8.250 nan 0.000 0.451 262 G N 1.392 110.185 108.800 -0.012 0.000 4.250 262 G HA2 0.016 3.976 3.960 0.000 0.000 0.295 262 G HA3 0.016 3.976 3.960 0.000 0.000 0.295 262 G C 0.667 175.563 174.900 -0.006 0.000 1.081 262 G CA -0.439 44.652 45.100 -0.015 0.000 0.854 262 G HN 0.195 nan 8.290 nan 0.000 0.524 263 K N -0.426 119.973 120.400 -0.001 0.000 2.280 263 K HA -0.029 4.291 4.320 0.000 0.000 0.202 263 K C 1.103 177.709 176.600 0.011 0.000 1.047 263 K CA 1.092 57.382 56.287 0.006 0.000 0.942 263 K CB -0.023 32.480 32.500 0.005 0.000 0.739 263 K HN 0.105 nan 8.250 nan 0.000 0.457 264 N N 0.492 119.198 118.700 0.009 0.000 2.322 264 N HA 0.208 4.948 4.740 0.000 0.000 0.194 264 N C -0.598 174.924 175.510 0.020 0.000 1.126 264 N CA 0.030 53.090 53.050 0.018 0.000 0.845 264 N CB 0.257 38.754 38.487 0.016 0.000 0.976 264 N HN 0.183 nan 8.380 nan 0.000 0.475 265 I N 1.389 121.964 120.570 0.009 0.000 2.325 265 I HA 0.092 4.262 4.170 0.000 0.000 0.291 265 I C 0.007 176.134 176.117 0.017 0.000 1.019 265 I CA -0.791 60.510 61.300 0.002 0.000 1.302 265 I CB 0.716 38.702 38.000 -0.024 0.000 1.401 265 I HN -0.187 nan 8.210 nan 0.000 0.485 266 K N 7.541 127.962 120.400 0.034 0.000 2.412 266 K HA 0.327 4.647 4.320 0.000 0.000 0.281 266 K C -0.284 176.347 176.600 0.053 0.000 1.027 266 K CA 0.070 56.387 56.287 0.051 0.000 0.989 266 K CB 0.715 33.261 32.500 0.076 0.000 0.935 266 K HN 0.537 nan 8.250 nan 0.000 0.475 267 I N 5.105 125.702 120.570 0.045 0.000 2.306 267 I HA 0.123 4.293 4.170 0.000 0.000 0.288 267 I C 0.038 176.185 176.117 0.049 0.000 1.036 267 I CA -0.661 60.668 61.300 0.048 0.000 1.221 267 I CB 0.577 38.592 38.000 0.025 0.000 1.385 267 I HN 0.188 nan 8.210 nan 0.000 0.472 268 I N 5.347 125.983 120.570 0.110 0.000 2.281 268 I HA 0.153 4.323 4.170 0.000 0.000 0.293 268 I C 0.714 176.832 176.117 0.001 0.000 1.085 268 I CA 0.106 61.431 61.300 0.042 0.000 1.257 268 I CB 0.441 38.473 38.000 0.053 0.000 1.430 268 I HN 0.437 nan 8.210 nan 0.000 0.489 269 S N 6.776 122.449 115.700 -0.046 0.000 2.549 269 S HA 0.215 4.685 4.470 0.000 0.000 0.283 269 S C 0.369 174.924 174.600 -0.076 0.000 1.320 269 S CA -0.381 57.786 58.200 -0.055 0.000 1.058 269 S CB 0.664 63.811 63.200 -0.088 0.000 0.882 269 S HN 0.380 nan 8.310 nan 0.000 0.498 270 K N 2.676 123.032 120.400 -0.074 0.000 2.265 270 K HA 0.373 4.693 4.320 0.000 0.000 0.267 270 K C -0.851 175.684 176.600 -0.108 0.000 0.994 270 K CA -0.621 55.597 56.287 -0.116 0.000 0.860 270 K CB 0.968 33.380 32.500 -0.147 0.000 1.099 270 K HN 0.396 nan 8.250 nan 0.000 0.448 271 I N 3.752 124.276 120.570 -0.076 0.000 2.291 271 I HA 0.081 4.251 4.170 0.000 0.000 0.292 271 I C 0.736 176.780 176.117 -0.121 0.000 1.064 271 I CA 0.356 61.630 61.300 -0.044 0.000 1.269 271 I CB 0.504 38.537 38.000 0.054 0.000 1.418 271 I HN 0.751 nan 8.210 nan 0.000 0.485 272 E N 4.090 124.182 120.200 -0.181 0.000 2.539 272 E HA 0.063 4.413 4.350 0.000 0.000 0.215 272 E C 0.196 176.724 176.600 -0.121 0.000 0.965 272 E CA -0.050 56.193 56.400 -0.262 0.000 1.019 272 E CB 0.725 30.024 29.700 -0.668 0.000 1.059 272 E HN 0.696 nan 8.360 nan 0.000 0.496 273 N N -1.209 117.478 118.700 -0.022 0.000 3.038 273 N HA 0.046 4.786 4.740 0.000 0.000 0.307 273 N C 0.370 175.937 175.510 0.095 0.000 1.441 273 N CA -0.517 52.570 53.050 0.062 0.000 0.772 273 N CB 0.678 39.252 38.487 0.146 0.000 1.651 273 N HN -0.116 nan 8.380 nan 0.000 0.593 274 H N -0.597 118.478 119.070 0.009 0.000 2.389 274 H HA -0.027 4.529 4.556 0.000 0.000 0.299 274 H C 1.512 176.845 175.328 0.008 0.000 1.081 274 H CA 1.522 57.570 56.048 -0.001 0.000 1.345 274 H CB 0.503 30.264 29.762 -0.000 0.000 1.393 274 H HN 0.749 nan 8.280 nan 0.000 0.520 275 E N -0.281 119.997 120.200 0.130 0.000 2.077 275 E HA -0.129 4.221 4.350 0.000 0.000 0.193 275 E C 2.439 179.082 176.600 0.072 0.000 0.989 275 E CA 0.832 57.261 56.400 0.048 0.000 0.800 275 E CB -0.230 29.485 29.700 0.026 0.000 0.746 275 E HN 0.587 nan 8.360 nan 0.000 0.452 276 G N 0.521 109.370 108.800 0.083 0.000 2.469 276 G HA2 -0.270 3.690 3.960 0.000 0.000 0.219 276 G HA3 -0.270 3.690 3.960 0.000 0.000 0.219 276 G C 1.622 176.603 174.900 0.135 0.000 1.150 276 G CA 1.178 46.327 45.100 0.081 0.000 0.763 276 G HN 0.238 nan 8.290 nan 0.000 0.561 277 V N 0.387 120.379 119.914 0.130 0.000 2.307 277 V HA -0.140 3.980 4.120 0.000 0.000 0.245 277 V C 2.860 179.037 176.094 0.138 0.000 1.045 277 V CA 1.938 64.311 62.300 0.121 0.000 1.024 277 V CB -0.524 31.333 31.823 0.056 0.000 0.651 277 V HN 0.287 nan 8.190 nan 0.000 0.449 278 R N 0.368 120.944 120.500 0.127 0.000 2.070 278 R HA -0.069 4.271 4.340 0.000 0.000 0.233 278 R C 1.966 178.314 176.300 0.080 0.000 1.137 278 R CA 1.350 57.499 56.100 0.081 0.000 0.945 278 R CB -0.235 30.079 30.300 0.023 0.000 0.845 278 R HN 0.486 nan 8.270 nan 0.000 0.430 279 R N 0.183 120.725 120.500 0.069 0.000 2.547 279 R HA 0.023 4.363 4.340 0.000 0.000 0.258 279 R C 1.117 177.444 176.300 0.046 0.000 1.115 279 R CA -0.206 55.918 56.100 0.040 0.000 1.152 279 R CB -0.183 30.119 30.300 0.002 0.000 1.221 279 R HN 0.183 nan 8.270 nan 0.000 0.539 280 F N 2.461 122.395 119.950 -0.026 0.000 2.046 280 F HA -0.265 4.262 4.527 0.000 0.000 0.297 280 F C 1.726 177.505 175.800 -0.035 0.000 1.123 280 F CA 1.883 59.862 58.000 -0.035 0.000 1.199 280 F CB 0.057 39.035 39.000 -0.037 0.000 0.972 280 F HN 0.046 nan 8.300 nan 0.000 0.474 281 D N 0.231 120.667 120.400 0.059 0.000 2.133 281 D HA -0.277 4.363 4.640 0.000 0.000 0.192 281 D C 2.179 178.390 176.300 -0.148 0.000 1.001 281 D CA 1.797 55.776 54.000 -0.035 0.000 0.844 281 D CB -0.636 40.196 40.800 0.054 0.000 0.944 281 D HN 0.565 nan 8.370 nan 0.000 0.447 282 E N 0.322 120.457 120.200 -0.108 0.000 2.085 282 E HA -0.172 4.178 4.350 0.000 0.000 0.194 282 E C 2.356 178.843 176.600 -0.188 0.000 0.994 282 E CA 0.773 57.105 56.400 -0.113 0.000 0.801 282 E CB -0.064 29.591 29.700 -0.076 0.000 0.743 282 E HN 0.280 nan 8.360 nan 0.000 0.453 283 I N 0.562 120.974 120.570 -0.262 0.000 2.233 283 I HA -0.216 3.954 4.170 0.000 0.000 0.243 283 I C 2.521 178.412 176.117 -0.377 0.000 1.093 283 I CA 0.316 61.431 61.300 -0.308 0.000 1.380 283 I CB -0.255 37.561 38.000 -0.308 0.000 1.067 283 I HN 0.231 nan 8.210 nan 0.000 0.413 284 L N 1.072 121.933 121.223 -0.603 0.000 2.079 284 L HA -0.228 4.112 4.340 0.000 0.000 0.210 284 L C 2.420 179.136 176.870 -0.257 0.000 1.081 284 L CA 1.910 56.432 54.840 -0.531 0.000 0.752 284 L CB -0.930 40.709 42.059 -0.700 0.000 0.896 284 L HN 0.247 nan 8.230 nan 0.000 0.433 285 E N 0.179 120.256 120.200 -0.205 0.000 2.031 285 E HA -0.193 4.157 4.350 0.000 0.000 0.193 285 E C 1.933 178.491 176.600 -0.071 0.000 0.994 285 E CA 1.517 57.856 56.400 -0.103 0.000 0.800 285 E CB -0.182 29.475 29.700 -0.072 0.000 0.752 285 E HN 0.566 nan 8.360 nan 0.000 0.447 286 A N 0.482 123.246 122.820 -0.093 0.000 2.209 286 A HA 0.053 4.373 4.320 0.000 0.000 0.212 286 A C 1.207 178.761 177.584 -0.050 0.000 1.158 286 A CA 0.409 52.417 52.037 -0.048 0.000 0.742 286 A CB 0.029 18.917 19.000 -0.186 0.000 0.790 286 A HN 0.162 nan 8.150 nan 0.000 0.472 287 S N -0.746 114.900 115.700 -0.090 0.000 2.747 287 S HA 0.361 4.831 4.470 0.000 0.000 0.300 287 S C 0.019 174.591 174.600 -0.046 0.000 1.121 287 S CA -0.591 57.566 58.200 -0.071 0.000 0.995 287 S CB 1.072 64.204 63.200 -0.113 0.000 1.113 287 S HN 0.374 nan 8.310 nan 0.000 0.547 288 D N 0.045 120.428 120.400 -0.029 0.000 2.388 288 D HA 0.274 4.914 4.640 0.000 0.000 0.208 288 D C 0.701 176.969 176.300 -0.054 0.000 1.035 288 D CA 0.480 54.472 54.000 -0.014 0.000 0.875 288 D CB 0.662 41.474 40.800 0.019 0.000 0.984 288 D HN 0.612 nan 8.370 nan 0.000 0.508 289 G N 0.084 108.841 108.800 -0.072 0.000 2.559 289 G HA2 0.501 4.461 3.960 0.000 0.000 0.291 289 G HA3 0.501 4.461 3.960 0.000 0.000 0.291 289 G C -1.739 173.101 174.900 -0.100 0.000 1.424 289 G CA -0.487 44.549 45.100 -0.106 0.000 0.786 289 G HN -0.096 nan 8.290 nan 0.000 0.485 290 I N 0.531 121.043 120.570 -0.096 0.000 2.730 290 I HA 0.536 4.706 4.170 0.000 0.000 0.298 290 I C -0.524 175.521 176.117 -0.119 0.000 1.089 290 I CA -0.714 60.549 61.300 -0.061 0.000 1.041 290 I CB 2.091 40.149 38.000 0.098 0.000 1.235 290 I HN 0.583 nan 8.210 nan 0.000 0.423 291 M N 5.582 125.094 119.600 -0.147 0.000 2.253 291 M HA 0.436 4.916 4.480 0.000 0.000 0.314 291 M C -1.499 174.720 176.300 -0.136 0.000 1.019 291 M CA -0.698 54.475 55.300 -0.212 0.000 0.932 291 M CB 1.769 34.154 32.600 -0.358 0.000 1.606 291 M HN 0.265 nan 8.290 nan 0.000 0.430 292 V N 5.215 125.056 119.914 -0.122 0.000 2.313 292 V HA 0.244 4.364 4.120 0.000 0.000 0.252 292 V C 0.662 176.685 176.094 -0.118 0.000 1.112 292 V CA -0.342 61.895 62.300 -0.105 0.000 0.984 292 V CB 0.095 31.858 31.823 -0.100 0.000 1.157 292 V HN 0.880 nan 8.190 nan 0.000 0.493 293 A N 5.410 128.149 122.820 -0.135 0.000 2.906 293 A HA 0.266 4.586 4.320 0.000 0.000 0.289 293 A C 1.550 179.059 177.584 -0.125 0.000 1.675 293 A CA -0.259 51.691 52.037 -0.144 0.000 1.372 293 A CB -0.400 18.482 19.000 -0.195 0.000 1.091 293 A HN 0.863 nan 8.150 nan 0.000 0.579 294 R N 1.537 121.980 120.500 -0.094 0.000 2.105 294 R HA -0.146 4.194 4.340 0.000 0.000 0.239 294 R C 2.358 178.616 176.300 -0.071 0.000 1.135 294 R CA 1.612 57.666 56.100 -0.077 0.000 0.967 294 R CB -0.332 29.936 30.300 -0.053 0.000 0.861 294 R HN 0.701 nan 8.270 nan 0.000 0.442 295 G N 1.446 110.209 108.800 -0.061 0.000 2.672 295 G HA2 -0.335 3.625 3.960 0.000 0.000 0.218 295 G HA3 -0.335 3.625 3.960 0.000 0.000 0.218 295 G C 1.012 175.880 174.900 -0.055 0.000 1.238 295 G CA 1.413 46.487 45.100 -0.044 0.000 0.791 295 G HN 0.250 nan 8.290 nan 0.000 0.606 296 D N -0.084 120.269 120.400 -0.078 0.000 2.178 296 D HA -0.065 4.575 4.640 0.000 0.000 0.201 296 D C 2.485 178.737 176.300 -0.079 0.000 0.980 296 D CA 0.619 54.578 54.000 -0.068 0.000 0.842 296 D CB -0.075 40.628 40.800 -0.162 0.000 0.948 296 D HN 0.180 nan 8.370 nan 0.000 0.472 297 L N 0.947 122.106 121.223 -0.108 0.000 2.083 297 L HA -0.012 4.328 4.340 0.000 0.000 0.209 297 L C 2.265 179.073 176.870 -0.103 0.000 1.083 297 L CA 1.661 56.439 54.840 -0.104 0.000 0.752 297 L CB -0.801 41.191 42.059 -0.112 0.000 0.899 297 L HN -0.011 nan 8.230 nan 0.000 0.433 298 G N -0.797 107.947 108.800 -0.093 0.000 2.559 298 G HA2 -0.136 3.824 3.960 0.000 0.000 0.216 298 G HA3 -0.136 3.824 3.960 0.000 0.000 0.216 298 G C 1.317 176.138 174.900 -0.132 0.000 1.126 298 G CA 0.818 45.862 45.100 -0.093 0.000 0.778 298 G HN 0.375 nan 8.290 nan 0.000 0.543 299 I N -0.258 120.224 120.570 -0.146 0.000 3.172 299 I HA 0.148 4.318 4.170 0.000 0.000 0.278 299 I C 2.249 178.225 176.117 -0.236 0.000 1.174 299 I CA 0.452 61.603 61.300 -0.249 0.000 1.445 299 I CB -0.549 37.340 38.000 -0.184 0.000 1.175 299 I HN 0.064 nan 8.210 nan 0.000 0.447 300 E N 1.616 121.746 120.200 -0.117 0.000 2.106 300 E HA -0.010 4.340 4.350 0.000 0.000 0.192 300 E C 0.745 177.292 176.600 -0.087 0.000 0.984 300 E CA 0.740 57.105 56.400 -0.058 0.000 0.806 300 E CB 0.096 29.796 29.700 -0.001 0.000 0.750 300 E HN 0.601 nan 8.360 nan 0.000 0.458 301 I N -3.426 117.062 120.570 -0.137 0.000 2.785 301 I HA 0.509 4.679 4.170 0.000 0.000 0.302 301 I C -2.516 173.515 176.117 -0.142 0.000 1.069 301 I CA -3.000 58.196 61.300 -0.174 0.000 1.045 301 I CB 2.311 40.143 38.000 -0.280 0.000 1.236 301 I HN -0.288 nan 8.210 nan 0.000 0.429 302 P HA -0.051 nan 4.420 nan 0.000 0.261 302 P C 0.659 177.920 177.300 -0.066 0.000 1.173 302 P CA 0.298 63.352 63.100 -0.077 0.000 0.760 302 P CB 1.073 32.744 31.700 -0.048 0.000 0.783 303 A N 4.791 127.580 122.820 -0.052 0.000 1.927 303 A HA -0.266 4.054 4.320 0.000 0.000 0.220 303 A C 1.854 179.452 177.584 0.023 0.000 1.185 303 A CA 2.165 54.186 52.037 -0.025 0.000 0.639 303 A CB -1.114 17.873 19.000 -0.021 0.000 0.820 303 A HN 0.591 nan 8.150 nan 0.000 0.451 304 E N 0.282 120.505 120.200 0.038 0.000 2.265 304 E HA -0.138 4.212 4.350 0.000 0.000 0.196 304 E C 1.472 178.183 176.600 0.184 0.000 0.996 304 E CA 1.415 57.881 56.400 0.109 0.000 0.832 304 E CB -0.218 29.530 29.700 0.081 0.000 0.756 304 E HN 0.686 nan 8.360 nan 0.000 0.491 305 K N 0.255 120.675 120.400 0.033 0.000 2.374 305 K HA 0.139 4.459 4.320 0.000 0.000 0.196 305 K C 1.313 177.805 176.600 -0.180 0.000 1.023 305 K CA 0.007 56.234 56.287 -0.099 0.000 1.103 305 K CB 0.585 33.003 32.500 -0.137 0.000 0.848 305 K HN -0.017 nan 8.250 nan 0.000 0.528 306 V N 1.441 121.323 119.914 -0.053 0.000 2.307 306 V HA -0.250 3.870 4.120 0.000 0.000 0.245 306 V C 2.017 178.056 176.094 -0.093 0.000 1.045 306 V CA 1.746 64.001 62.300 -0.075 0.000 1.024 306 V CB -0.629 31.183 31.823 -0.018 0.000 0.651 306 V HN 0.378 nan 8.190 nan 0.000 0.449 307 F N 0.224 120.130 119.950 -0.074 0.000 2.250 307 F HA -0.100 4.427 4.527 0.000 0.000 0.301 307 F C 1.849 177.604 175.800 -0.076 0.000 1.077 307 F CA 1.296 59.255 58.000 -0.068 0.000 1.348 307 F CB -1.130 37.837 39.000 -0.055 0.000 1.040 307 F HN 0.075 nan 8.300 nan 0.000 0.509 308 L N 0.801 121.301 121.223 -1.205 0.000 2.005 308 L HA -0.088 4.252 4.340 0.000 0.000 0.207 308 L C 3.025 179.630 176.870 -0.442 0.000 1.072 308 L CA 1.250 55.550 54.840 -0.900 0.000 0.744 308 L CB -1.227 40.360 42.059 -0.786 0.000 0.895 308 L HN 0.315 nan 8.230 nan 0.000 0.433 309 A N -0.562 122.045 122.820 -0.355 0.000 1.902 309 A HA -0.285 4.035 4.320 0.000 0.000 0.217 309 A C 2.262 179.696 177.584 -0.250 0.000 1.181 309 A CA 1.920 53.793 52.037 -0.273 0.000 0.623 309 A CB -0.620 18.245 19.000 -0.225 0.000 0.818 309 A HN 0.518 nan 8.150 nan 0.000 0.443 310 Q N -0.170 119.514 119.800 -0.193 0.000 2.020 310 Q HA -0.228 4.112 4.340 0.000 0.000 0.202 310 Q C 1.997 177.914 176.000 -0.138 0.000 0.982 310 Q CA 2.026 57.745 55.803 -0.140 0.000 0.838 310 Q CB -0.176 28.523 28.738 -0.065 0.000 0.899 310 Q HN 0.659 nan 8.270 nan 0.000 0.423 311 K N -0.016 120.316 120.400 -0.114 0.000 2.097 311 K HA -0.156 4.164 4.320 0.000 0.000 0.206 311 K C 2.194 178.714 176.600 -0.133 0.000 1.049 311 K CA 1.439 57.677 56.287 -0.082 0.000 0.933 311 K CB -0.211 32.271 32.500 -0.030 0.000 0.717 311 K HN 0.330 nan 8.250 nan 0.000 0.442 312 M N 0.740 120.220 119.600 -0.200 0.000 2.067 312 M HA -0.160 4.320 4.480 0.000 0.000 0.260 312 M C 1.957 178.056 176.300 -0.334 0.000 1.069 312 M CA 1.826 56.984 55.300 -0.237 0.000 1.117 312 M CB -0.312 32.126 32.600 -0.270 0.000 1.334 312 M HN 0.194 nan 8.290 nan 0.000 0.407 313 M N -0.047 119.279 119.600 -0.457 0.000 2.117 313 M HA -0.214 4.266 4.480 0.000 0.000 0.262 313 M C 2.148 178.279 176.300 -0.282 0.000 1.065 313 M CA 1.533 56.439 55.300 -0.657 0.000 1.114 313 M CB -0.469 31.761 32.600 -0.617 0.000 1.361 313 M HN 0.277 nan 8.290 nan 0.000 0.408 314 I N -0.295 120.174 120.570 -0.169 0.000 2.208 314 I HA -0.223 3.947 4.170 0.000 0.000 0.245 314 I C 2.570 178.658 176.117 -0.049 0.000 1.097 314 I CA 1.514 62.767 61.300 -0.078 0.000 1.363 314 I CB -1.092 36.875 38.000 -0.056 0.000 1.051 314 I HN 0.383 nan 8.210 nan 0.000 0.413 315 G N 0.794 109.557 108.800 -0.062 0.000 2.446 315 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 315 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 315 G C 1.802 176.696 174.900 -0.009 0.000 1.168 315 G CA 0.413 45.497 45.100 -0.028 0.000 0.771 315 G HN 0.309 nan 8.290 nan 0.000 0.551 316 R N -0.722 119.765 120.500 -0.021 0.000 2.148 316 R HA -0.017 4.323 4.340 0.000 0.000 0.227 316 R C 2.553 178.922 176.300 0.116 0.000 1.103 316 R CA 0.992 57.130 56.100 0.062 0.000 0.983 316 R CB -0.512 29.860 30.300 0.120 0.000 0.874 316 R HN 0.386 nan 8.270 nan 0.000 0.451 317 C N 0.637 120.000 119.300 0.104 0.000 2.475 317 C HA 0.021 4.481 4.460 0.000 0.000 0.279 317 C C 2.092 177.100 174.990 0.030 0.000 1.322 317 C CA 0.401 59.472 59.018 0.088 0.000 1.734 317 C CB -0.872 26.913 27.740 0.075 0.000 2.005 317 C HN 0.498 nan 8.230 nan 0.000 0.495 318 N N 0.653 119.364 118.700 0.019 0.000 2.223 318 N HA -0.088 4.652 4.740 0.000 0.000 0.185 318 N C 1.892 177.408 175.510 0.011 0.000 1.016 318 N CA 0.830 53.887 53.050 0.013 0.000 0.863 318 N CB -0.405 38.095 38.487 0.022 0.000 0.983 318 N HN 0.488 nan 8.380 nan 0.000 0.429 319 R N 0.266 120.780 120.500 0.022 0.000 2.073 319 R HA 0.112 4.452 4.340 0.000 0.000 0.229 319 R C 1.524 177.833 176.300 0.015 0.000 1.120 319 R CA 1.136 57.249 56.100 0.021 0.000 0.967 319 R CB -0.116 30.203 30.300 0.032 0.000 0.862 319 R HN 0.205 nan 8.270 nan 0.000 0.436 320 A N -0.402 122.433 122.820 0.025 0.000 2.208 320 A HA 0.142 4.462 4.320 0.000 0.000 0.209 320 A C 1.270 178.858 177.584 0.007 0.000 1.161 320 A CA 0.897 52.945 52.037 0.018 0.000 0.782 320 A CB -0.122 18.893 19.000 0.025 0.000 0.816 320 A HN 0.524 nan 8.150 nan 0.000 0.477 321 G N -0.594 108.205 108.800 -0.002 0.000 2.179 321 G HA2 -0.270 3.690 3.960 0.000 0.000 0.257 321 G HA3 -0.270 3.690 3.960 0.000 0.000 0.257 321 G C 0.067 174.993 174.900 0.043 0.000 1.010 321 G CA 0.732 45.836 45.100 0.006 0.000 0.736 321 G HN 0.588 nan 8.290 nan 0.000 0.513 322 K N 0.414 120.809 120.400 -0.008 0.000 2.221 322 K HA 0.470 4.790 4.320 0.000 0.000 0.258 322 K C -2.565 173.928 176.600 -0.178 0.000 0.944 322 K CA -2.221 54.025 56.287 -0.068 0.000 0.823 322 K CB 1.925 34.395 32.500 -0.050 0.000 1.113 322 K HN -0.063 nan 8.250 nan 0.000 0.431 323 P HA -0.058 nan 4.420 nan 0.000 0.265 323 P C -1.068 176.101 177.300 -0.219 0.000 1.187 323 P CA -0.173 62.671 63.100 -0.427 0.000 0.766 323 P CB 0.593 31.909 31.700 -0.639 0.000 0.820 324 V N 5.411 125.223 119.914 -0.170 0.000 2.638 324 V HA 0.464 4.584 4.120 0.000 0.000 0.306 324 V C -0.746 175.273 176.094 -0.125 0.000 1.052 324 V CA -0.776 61.456 62.300 -0.113 0.000 0.885 324 V CB 1.341 33.129 31.823 -0.058 0.000 0.999 324 V HN 0.300 nan 8.190 nan 0.000 0.424 325 I N 6.237 126.716 120.570 -0.151 0.000 2.354 325 I HA 0.411 4.581 4.170 0.000 0.000 0.292 325 I C -0.144 175.894 176.117 -0.132 0.000 0.989 325 I CA -0.377 60.826 61.300 -0.161 0.000 1.188 325 I CB 1.522 39.361 38.000 -0.268 0.000 1.342 325 I HN 0.619 nan 8.210 nan 0.000 0.457 326 C N 7.093 126.337 119.300 -0.093 0.000 2.239 326 C HA 0.852 5.312 4.460 0.000 0.000 0.325 326 C C 0.455 175.402 174.990 -0.070 0.000 1.231 326 C CA -0.103 58.870 59.018 -0.075 0.000 1.652 326 C CB -0.904 26.808 27.740 -0.047 0.000 2.284 326 C HN 0.877 nan 8.230 nan 0.000 0.499 327 A N 4.635 127.407 122.820 -0.079 0.000 2.435 327 A HA 0.947 5.267 4.320 0.000 0.000 0.296 327 A C -0.014 177.543 177.584 -0.044 0.000 1.147 327 A CA -0.202 51.798 52.037 -0.062 0.000 0.775 327 A CB 0.988 19.936 19.000 -0.086 0.000 1.340 327 A HN 1.384 nan 8.150 nan 0.000 0.427 328 T N 0.938 115.478 114.554 -0.022 0.000 0.571 328 T HA -0.098 4.252 4.350 0.000 0.000 0.771 328 T C 0.145 174.842 174.700 -0.005 0.000 0.992 328 T CA 0.873 62.966 62.100 -0.011 0.000 4.060 328 T CB -1.162 67.692 68.868 -0.024 0.000 2.294 328 T HN 1.405 nan 8.240 nan 0.000 0.396 329 Q N 0.227 120.031 119.800 0.007 0.000 2.452 329 Q HA -0.283 4.057 4.340 0.000 0.000 0.248 329 Q C 1.628 177.632 176.000 0.006 0.000 0.874 329 Q CA 1.558 57.366 55.803 0.009 0.000 1.208 329 Q CB -1.001 27.740 28.738 0.005 0.000 1.569 329 Q HN 0.841 nan 8.270 nan 0.000 0.579 330 M N -0.557 119.045 119.600 0.004 0.000 2.202 330 M HA -0.139 4.341 4.480 0.000 0.000 0.262 330 M C 1.069 177.372 176.300 0.004 0.000 1.063 330 M CA 1.493 56.794 55.300 0.002 0.000 1.097 330 M CB 0.113 32.714 32.600 0.001 0.000 1.382 330 M HN 0.255 nan 8.290 nan 0.000 0.413 331 L N -0.777 120.452 121.223 0.011 0.000 3.165 331 L HA 0.159 4.499 4.340 0.000 0.000 0.327 331 L C 1.039 177.920 176.870 0.018 0.000 1.294 331 L CA -0.424 54.422 54.840 0.010 0.000 0.838 331 L CB 0.328 42.394 42.059 0.012 0.000 1.274 331 L HN 0.030 nan 8.230 nan 0.000 0.590 332 E N 0.586 120.797 120.200 0.018 0.000 2.065 332 E HA -0.281 4.069 4.350 0.000 0.000 0.201 332 E C 2.054 178.671 176.600 0.027 0.000 1.016 332 E CA 1.954 58.369 56.400 0.026 0.000 0.818 332 E CB 0.049 29.762 29.700 0.021 0.000 0.749 332 E HN 0.470 nan 8.360 nan 0.000 0.453 333 S N 0.421 116.129 115.700 0.015 0.000 2.399 333 S HA -0.232 4.238 4.470 0.000 0.000 0.235 333 S C 1.894 176.503 174.600 0.014 0.000 1.063 333 S CA 1.833 60.038 58.200 0.009 0.000 1.070 333 S CB -0.229 62.966 63.200 -0.008 0.000 0.904 333 S HN 0.253 nan 8.310 nan 0.000 0.456 334 M N 0.405 120.013 119.600 0.013 0.000 2.700 334 M HA 0.053 4.533 4.480 0.000 0.000 0.249 334 M C 1.573 177.940 176.300 0.112 0.000 1.082 334 M CA 0.605 55.919 55.300 0.024 0.000 1.077 334 M CB -0.408 32.200 32.600 0.013 0.000 1.477 334 M HN 0.406 nan 8.290 nan 0.000 0.529 335 I N 0.017 120.645 120.570 0.097 0.000 2.439 335 I HA -0.230 3.940 4.170 0.000 0.000 0.251 335 I C 2.040 178.254 176.117 0.162 0.000 1.139 335 I CA 1.084 62.454 61.300 0.116 0.000 1.438 335 I CB -0.129 37.917 38.000 0.077 0.000 1.085 335 I HN 0.223 nan 8.210 nan 0.000 0.427 336 K N 0.290 120.782 120.400 0.154 0.000 2.412 336 K HA 0.290 4.610 4.320 0.000 0.000 0.202 336 K C 0.055 176.795 176.600 0.233 0.000 1.102 336 K CA 0.253 56.652 56.287 0.187 0.000 1.027 336 K CB 0.878 33.441 32.500 0.104 0.000 0.931 336 K HN 0.205 nan 8.250 nan 0.000 0.557 337 K N 0.980 121.428 120.400 0.080 0.000 2.328 337 K HA 0.265 4.585 4.320 0.000 0.000 0.246 337 K C -2.101 174.142 176.600 -0.596 0.000 0.955 337 K CA -1.914 54.280 56.287 -0.155 0.000 0.817 337 K CB 2.196 34.637 32.500 -0.098 0.000 1.208 337 K HN -0.295 nan 8.250 nan 0.000 0.432 338 P HA -0.043 nan 4.420 nan 0.000 0.231 338 P C -0.269 176.802 177.300 -0.383 0.000 1.168 338 P CA 0.753 63.277 63.100 -0.961 0.000 0.779 338 P CB 0.564 31.810 31.700 -0.757 0.000 0.844 339 R N 0.764 121.109 120.500 -0.258 0.000 2.637 339 R HA 0.517 4.857 4.340 0.000 0.000 0.291 339 R C -2.439 173.801 176.300 -0.100 0.000 0.963 339 R CA -2.500 53.517 56.100 -0.138 0.000 0.901 339 R CB 1.090 31.328 30.300 -0.102 0.000 1.160 339 R HN 0.105 nan 8.270 nan 0.000 0.457 340 P HA 0.197 nan 4.420 nan 0.000 0.283 340 P C -0.345 176.934 177.300 -0.035 0.000 1.271 340 P CA -0.386 62.689 63.100 -0.042 0.000 0.841 340 P CB 0.961 32.643 31.700 -0.029 0.000 1.122 341 T N -0.864 113.675 114.554 -0.026 0.000 2.828 341 T HA 0.192 4.542 4.350 0.000 0.000 0.290 341 T C 1.536 176.223 174.700 -0.022 0.000 1.019 341 T CA -0.582 61.504 62.100 -0.023 0.000 1.031 341 T CB 0.405 69.262 68.868 -0.018 0.000 1.001 341 T HN 0.204 nan 8.240 nan 0.000 0.531 342 R N 1.032 121.518 120.500 -0.022 0.000 2.096 342 R HA -0.033 4.307 4.340 0.000 0.000 0.235 342 R C 2.663 178.950 176.300 -0.022 0.000 1.127 342 R CA 1.524 57.611 56.100 -0.022 0.000 0.968 342 R CB -1.740 28.546 30.300 -0.023 0.000 0.861 342 R HN 0.863 nan 8.270 nan 0.000 0.440 343 A N 1.413 124.220 122.820 -0.023 0.000 1.930 343 A HA -0.162 4.158 4.320 0.000 0.000 0.217 343 A C 2.013 179.585 177.584 -0.020 0.000 1.175 343 A CA 1.333 53.356 52.037 -0.024 0.000 0.627 343 A CB -0.262 18.723 19.000 -0.024 0.000 0.815 343 A HN 0.379 nan 8.150 nan 0.000 0.443 344 E N -0.634 119.556 120.200 -0.016 0.000 2.107 344 E HA -0.062 4.288 4.350 0.000 0.000 0.191 344 E C 2.141 178.734 176.600 -0.011 0.000 0.982 344 E CA 0.649 57.042 56.400 -0.012 0.000 0.809 344 E CB -0.333 29.361 29.700 -0.010 0.000 0.756 344 E HN 0.594 nan 8.360 nan 0.000 0.459 345 G N 0.982 109.774 108.800 -0.014 0.000 2.421 345 G HA2 -0.316 3.644 3.960 0.000 0.000 0.216 345 G HA3 -0.316 3.644 3.960 0.000 0.000 0.216 345 G C 1.641 176.535 174.900 -0.010 0.000 1.171 345 G CA 0.964 46.057 45.100 -0.012 0.000 0.775 345 G HN 0.308 nan 8.290 nan 0.000 0.543 346 S N 0.428 116.120 115.700 -0.014 0.000 2.382 346 S HA -0.179 4.291 4.470 0.000 0.000 0.228 346 S C 2.044 176.637 174.600 -0.011 0.000 1.027 346 S CA 2.059 60.250 58.200 -0.015 0.000 0.991 346 S CB -0.432 62.754 63.200 -0.024 0.000 0.823 346 S HN 0.393 nan 8.310 nan 0.000 0.469 347 D N 0.415 120.808 120.400 -0.012 0.000 2.084 347 D HA -0.083 4.557 4.640 0.000 0.000 0.194 347 D C 1.944 178.243 176.300 -0.001 0.000 0.990 347 D CA 1.569 55.564 54.000 -0.008 0.000 0.826 347 D CB -0.426 40.370 40.800 -0.008 0.000 0.971 347 D HN 0.299 nan 8.370 nan 0.000 0.453 348 V N 0.953 120.866 119.914 -0.001 0.000 2.255 348 V HA -0.245 3.875 4.120 0.000 0.000 0.247 348 V C 2.636 178.734 176.094 0.007 0.000 1.051 348 V CA 1.957 64.258 62.300 0.003 0.000 1.018 348 V CB -1.118 30.707 31.823 0.003 0.000 0.641 348 V HN 0.348 nan 8.190 nan 0.000 0.445 349 A N 0.315 123.139 122.820 0.006 0.000 1.917 349 A HA -0.269 4.051 4.320 0.000 0.000 0.219 349 A C 2.067 179.662 177.584 0.018 0.000 1.182 349 A CA 2.217 54.261 52.037 0.012 0.000 0.633 349 A CB -0.711 18.294 19.000 0.008 0.000 0.819 349 A HN 0.614 nan 8.150 nan 0.000 0.448 350 N N 0.013 118.723 118.700 0.016 0.000 2.331 350 N HA -0.040 4.700 4.740 0.000 0.000 0.180 350 N C 1.845 177.371 175.510 0.027 0.000 1.019 350 N CA 1.216 54.281 53.050 0.026 0.000 0.881 350 N CB -0.364 38.134 38.487 0.019 0.000 0.972 350 N HN 0.499 nan 8.380 nan 0.000 0.435 351 A N 0.679 123.509 122.820 0.017 0.000 1.930 351 A HA -0.043 4.277 4.320 0.000 0.000 0.217 351 A C 2.505 180.097 177.584 0.014 0.000 1.175 351 A CA 0.982 53.025 52.037 0.011 0.000 0.627 351 A CB -0.600 18.401 19.000 0.000 0.000 0.815 351 A HN 0.075 nan 8.150 nan 0.000 0.443 352 V N 0.170 120.095 119.914 0.018 0.000 2.270 352 V HA -0.237 3.883 4.120 0.000 0.000 0.245 352 V C 2.558 178.671 176.094 0.031 0.000 1.043 352 V CA 1.936 64.250 62.300 0.024 0.000 1.014 352 V CB -0.738 31.101 31.823 0.026 0.000 0.645 352 V HN 0.575 nan 8.190 nan 0.000 0.447 353 L N -0.199 121.045 121.223 0.036 0.000 2.127 353 L HA -0.207 4.133 4.340 0.000 0.000 0.211 353 L C 2.284 179.188 176.870 0.056 0.000 1.089 353 L CA 1.437 56.305 54.840 0.048 0.000 0.757 353 L CB -0.734 41.364 42.059 0.064 0.000 0.899 353 L HN 0.346 nan 8.230 nan 0.000 0.434 354 D N 0.238 120.667 120.400 0.048 0.000 2.178 354 D HA -0.074 4.566 4.640 0.000 0.000 0.201 354 D C 1.465 177.786 176.300 0.035 0.000 0.980 354 D CA 1.432 55.459 54.000 0.045 0.000 0.842 354 D CB -0.024 40.793 40.800 0.028 0.000 0.948 354 D HN 0.414 nan 8.370 nan 0.000 0.472 355 G N -0.579 108.239 108.800 0.030 0.000 2.309 355 G HA2 0.024 3.984 3.960 0.000 0.000 0.183 355 G HA3 0.024 3.984 3.960 0.000 0.000 0.183 355 G C 0.084 174.991 174.900 0.011 0.000 1.063 355 G CA 0.016 45.133 45.100 0.029 0.000 0.768 355 G HN 0.527 nan 8.290 nan 0.000 0.490 356 A N -0.240 122.582 122.820 0.002 0.000 2.327 356 A HA 0.690 5.010 4.320 0.000 0.000 0.283 356 A C 1.096 178.670 177.584 -0.016 0.000 1.127 356 A CA 0.269 52.295 52.037 -0.018 0.000 0.810 356 A CB 0.581 19.566 19.000 -0.025 0.000 1.066 356 A HN 0.194 nan 8.150 nan 0.000 0.492 357 D N 0.311 120.685 120.400 -0.043 0.000 2.162 357 D HA -0.001 4.639 4.640 0.000 0.000 0.203 357 D C 0.010 176.296 176.300 -0.023 0.000 0.967 357 D CA 1.352 55.327 54.000 -0.041 0.000 0.840 357 D CB 0.116 40.846 40.800 -0.116 0.000 0.972 357 D HN 0.507 nan 8.370 nan 0.000 0.482 358 C N 1.033 120.308 119.300 -0.041 0.000 2.698 358 C HA 0.550 5.010 4.460 0.000 0.000 0.309 358 C C 0.118 175.089 174.990 -0.033 0.000 1.186 358 C CA -1.211 57.791 59.018 -0.027 0.000 1.474 358 C CB 1.601 29.322 27.740 -0.032 0.000 2.020 358 C HN 0.153 nan 8.230 nan 0.000 0.474 359 I N 0.768 121.330 120.570 -0.014 0.000 2.707 359 I HA 0.835 5.005 4.170 0.000 0.000 0.309 359 I C -0.503 175.609 176.117 -0.008 0.000 1.001 359 I CA -0.673 60.619 61.300 -0.014 0.000 1.129 359 I CB 1.529 39.529 38.000 -0.001 0.000 1.308 359 I HN 0.746 nan 8.210 nan 0.000 0.466 360 M N 4.029 123.624 119.600 -0.007 0.000 2.618 360 M HA 0.653 5.133 4.480 0.000 0.000 0.281 360 M C -2.179 174.133 176.300 0.019 0.000 1.267 360 M CA -0.671 54.635 55.300 0.009 0.000 0.845 360 M CB 2.843 35.442 32.600 -0.001 0.000 1.732 360 M HN 0.651 nan 8.290 nan 0.000 0.461 361 L N 0.913 122.158 121.223 0.037 0.000 2.401 361 L HA 0.620 4.960 4.340 0.000 0.000 0.266 361 L C -0.514 176.391 176.870 0.058 0.000 0.991 361 L CA -0.349 54.516 54.840 0.043 0.000 0.818 361 L CB 2.391 44.476 42.059 0.044 0.000 1.321 361 L HN 0.853 nan 8.230 nan 0.000 0.413 362 S N 0.368 116.103 115.700 0.059 0.000 3.385 362 S HA 0.170 4.640 4.470 0.000 0.000 0.176 362 S C 1.476 176.120 174.600 0.075 0.000 0.851 362 S CA 0.395 58.639 58.200 0.073 0.000 1.039 362 S CB -0.280 62.961 63.200 0.069 0.000 1.241 362 S HN 0.852 nan 8.310 nan 0.000 0.859 363 G N 1.438 110.280 108.800 0.069 0.000 2.485 363 G HA2 -0.212 3.748 3.960 0.000 0.000 0.221 363 G HA3 -0.212 3.748 3.960 0.000 0.000 0.221 363 G C 1.022 175.962 174.900 0.066 0.000 1.115 363 G CA 1.325 46.465 45.100 0.068 0.000 0.751 363 G HN 0.511 nan 8.290 nan 0.000 0.567 364 E N -0.022 120.217 120.200 0.064 0.000 2.097 364 E HA -0.107 4.243 4.350 0.000 0.000 0.196 364 E C 2.682 179.327 176.600 0.074 0.000 1.000 364 E CA 1.852 58.294 56.400 0.069 0.000 0.804 364 E CB -0.239 29.496 29.700 0.058 0.000 0.740 364 E HN 0.599 nan 8.360 nan 0.000 0.454 365 T N -3.676 110.920 114.554 0.070 0.000 3.044 365 T HA 0.503 4.853 4.350 0.000 0.000 0.260 365 T C 1.548 176.291 174.700 0.071 0.000 1.019 365 T CA 0.160 62.301 62.100 0.068 0.000 0.921 365 T CB 0.643 69.549 68.868 0.064 0.000 1.053 365 T HN 0.122 nan 8.240 nan 0.000 0.533 366 A N 2.794 125.660 122.820 0.077 0.000 1.943 366 A HA 0.292 4.612 4.320 0.000 0.000 0.213 366 A C 2.083 179.710 177.584 0.071 0.000 1.181 366 A CA 0.961 53.050 52.037 0.086 0.000 0.653 366 A CB -0.082 18.978 19.000 0.100 0.000 0.833 366 A HN 0.643 nan 8.150 nan 0.000 0.451 367 K N -1.904 118.531 120.400 0.059 0.000 2.589 367 K HA 0.240 4.561 4.320 0.000 0.000 0.218 367 K C 0.857 177.477 176.600 0.033 0.000 1.468 367 K CA 0.315 56.627 56.287 0.042 0.000 1.002 367 K CB -0.206 32.316 32.500 0.036 0.000 1.200 367 K HN 0.209 nan 8.250 nan 0.000 0.614 368 G N 1.405 110.233 108.800 0.048 0.000 2.732 368 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 368 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 368 G C -0.186 174.721 174.900 0.012 0.000 1.226 368 G CA -0.124 45.010 45.100 0.056 0.000 0.860 368 G HN 0.203 nan 8.290 nan 0.000 0.583 369 D N -0.781 119.607 120.400 -0.020 0.000 2.328 369 D HA 0.067 4.707 4.640 0.000 0.000 0.221 369 D C -0.236 175.749 176.300 -0.527 0.000 1.072 369 D CA 0.744 54.585 54.000 -0.264 0.000 0.850 369 D CB 0.282 40.866 40.800 -0.360 0.000 0.922 369 D HN 0.438 nan 8.370 nan 0.000 0.516 370 Y N -0.612 119.701 120.300 0.021 0.000 2.779 370 Y HA 0.161 4.711 4.550 0.000 0.000 0.271 370 Y C -1.662 174.252 175.900 0.022 0.000 0.940 370 Y CA -1.364 56.749 58.100 0.020 0.000 1.112 370 Y CB 1.027 39.498 38.460 0.017 0.000 1.200 370 Y HN -0.113 nan 8.280 nan 0.000 0.643 371 P HA -0.235 nan 4.420 nan 0.000 0.216 371 P C 1.459 178.812 177.300 0.088 0.000 1.157 371 P CA 1.657 64.812 63.100 0.092 0.000 0.880 371 P CB 0.567 32.304 31.700 0.061 0.000 0.791 372 L N -0.727 120.548 121.223 0.087 0.000 2.083 372 L HA -0.161 4.179 4.340 0.000 0.000 0.209 372 L C 2.623 179.541 176.870 0.080 0.000 1.083 372 L CA 1.689 56.574 54.840 0.075 0.000 0.752 372 L CB -1.029 41.072 42.059 0.071 0.000 0.899 372 L HN -0.032 nan 8.230 nan 0.000 0.433 373 E N 0.163 120.431 120.200 0.113 0.000 2.152 373 E HA -0.122 4.228 4.350 0.000 0.000 0.192 373 E C 2.228 178.858 176.600 0.051 0.000 0.983 373 E CA 1.126 57.574 56.400 0.080 0.000 0.818 373 E CB -0.179 29.572 29.700 0.084 0.000 0.758 373 E HN 0.440 nan 8.360 nan 0.000 0.467 374 A N 0.352 123.213 122.820 0.068 0.000 1.855 374 A HA -0.127 4.193 4.320 0.000 0.000 0.215 374 A C 2.433 180.040 177.584 0.037 0.000 1.191 374 A CA 1.250 53.316 52.037 0.048 0.000 0.613 374 A CB -0.745 18.292 19.000 0.063 0.000 0.829 374 A HN 0.141 nan 8.150 nan 0.000 0.442 375 V N 0.253 120.192 119.914 0.042 0.000 2.287 375 V HA -0.296 3.824 4.120 0.000 0.000 0.248 375 V C 2.657 178.766 176.094 0.025 0.000 1.053 375 V CA 2.345 64.664 62.300 0.030 0.000 1.027 375 V CB -0.883 30.957 31.823 0.028 0.000 0.646 375 V HN 0.526 nan 8.190 nan 0.000 0.447 376 R N -0.886 119.631 120.500 0.029 0.000 2.105 376 R HA -0.197 4.143 4.340 0.000 0.000 0.239 376 R C 2.236 178.547 176.300 0.019 0.000 1.135 376 R CA 1.830 57.945 56.100 0.024 0.000 0.967 376 R CB -0.450 29.867 30.300 0.028 0.000 0.861 376 R HN 0.377 nan 8.270 nan 0.000 0.442 377 M N 1.089 120.698 119.600 0.016 0.000 2.229 377 M HA -0.148 4.332 4.480 0.000 0.000 0.264 377 M C 1.804 178.110 176.300 0.010 0.000 1.063 377 M CA 1.728 57.033 55.300 0.008 0.000 1.114 377 M CB -0.056 32.545 32.600 0.001 0.000 1.387 377 M HN 0.060 nan 8.290 nan 0.000 0.420 378 Q N -0.892 118.916 119.800 0.014 0.000 2.123 378 Q HA -0.169 4.171 4.340 0.000 0.000 0.199 378 Q C 1.907 177.917 176.000 0.017 0.000 0.966 378 Q CA 1.574 57.385 55.803 0.014 0.000 0.845 378 Q CB -0.365 28.382 28.738 0.015 0.000 0.907 378 Q HN 0.653 nan 8.270 nan 0.000 0.439 379 N N 0.886 119.598 118.700 0.020 0.000 2.061 379 N HA -0.178 4.562 4.740 0.000 0.000 0.193 379 N C 1.667 177.190 175.510 0.021 0.000 1.030 379 N CA 1.226 54.291 53.050 0.024 0.000 0.856 379 N CB -0.191 38.312 38.487 0.027 0.000 1.023 379 N HN 0.131 nan 8.380 nan 0.000 0.424 380 L N 0.094 121.327 121.223 0.017 0.000 1.989 380 L HA -0.178 4.162 4.340 0.000 0.000 0.211 380 L C 2.298 179.175 176.870 0.011 0.000 1.071 380 L CA 1.247 56.095 54.840 0.013 0.000 0.749 380 L CB -0.573 41.491 42.059 0.009 0.000 0.890 380 L HN 0.285 nan 8.230 nan 0.000 0.431 381 I N -0.101 120.475 120.570 0.010 0.000 2.142 381 I HA -0.283 3.887 4.170 0.000 0.000 0.240 381 I C 2.837 178.963 176.117 0.014 0.000 1.078 381 I CA 1.232 62.537 61.300 0.009 0.000 1.343 381 I CB -0.559 37.444 38.000 0.006 0.000 1.046 381 I HN 0.210 nan 8.210 nan 0.000 0.405 382 A N 0.623 123.453 122.820 0.017 0.000 1.978 382 A HA -0.265 4.055 4.320 0.000 0.000 0.220 382 A C 2.415 180.014 177.584 0.025 0.000 1.170 382 A CA 1.892 53.942 52.037 0.022 0.000 0.636 382 A CB -0.683 18.332 19.000 0.025 0.000 0.810 382 A HN 0.348 nan 8.150 nan 0.000 0.448 383 R N -0.617 119.895 120.500 0.021 0.000 2.066 383 R HA -0.111 4.229 4.340 0.000 0.000 0.232 383 R C 2.114 178.428 176.300 0.022 0.000 1.131 383 R CA 1.421 57.532 56.100 0.018 0.000 0.955 383 R CB -0.172 30.136 30.300 0.012 0.000 0.851 383 R HN 0.494 nan 8.270 nan 0.000 0.432 384 E N 0.265 120.476 120.200 0.019 0.000 2.058 384 E HA -0.205 4.145 4.350 0.000 0.000 0.194 384 E C 1.893 178.508 176.600 0.025 0.000 0.997 384 E CA 1.482 57.893 56.400 0.018 0.000 0.801 384 E CB -0.319 29.387 29.700 0.010 0.000 0.746 384 E HN 0.440 nan 8.360 nan 0.000 0.450 385 A N 1.318 124.153 122.820 0.025 0.000 1.877 385 A HA -0.215 4.105 4.320 0.000 0.000 0.216 385 A C 2.065 179.675 177.584 0.043 0.000 1.186 385 A CA 1.704 53.759 52.037 0.030 0.000 0.620 385 A CB -0.601 18.414 19.000 0.026 0.000 0.822 385 A HN 0.206 nan 8.150 nan 0.000 0.443 386 E N -0.361 119.870 120.200 0.050 0.000 2.171 386 E HA -0.172 4.178 4.350 0.000 0.000 0.197 386 E C 2.058 178.730 176.600 0.119 0.000 0.997 386 E CA 1.161 57.607 56.400 0.077 0.000 0.810 386 E CB -0.250 29.492 29.700 0.070 0.000 0.738 386 E HN 0.644 nan 8.360 nan 0.000 0.467 387 A N 0.438 123.318 122.820 0.100 0.000 2.067 387 A HA 0.135 4.455 4.320 0.000 0.000 0.217 387 A C 2.126 179.790 177.584 0.132 0.000 1.156 387 A CA 1.082 53.197 52.037 0.131 0.000 0.683 387 A CB -0.056 18.995 19.000 0.085 0.000 0.808 387 A HN 0.257 nan 8.150 nan 0.000 0.455 388 A N -0.574 122.297 122.820 0.085 0.000 2.251 388 A HA 0.395 4.715 4.320 0.000 0.000 0.209 388 A C 0.798 178.464 177.584 0.136 0.000 1.187 388 A CA -0.298 51.791 52.037 0.087 0.000 0.823 388 A CB -0.383 18.631 19.000 0.023 0.000 0.846 388 A HN 0.440 nan 8.150 nan 0.000 0.486 389 I N -0.318 120.250 120.570 -0.003 0.000 2.752 389 I HA -0.102 4.068 4.170 0.000 0.000 0.287 389 I C 0.344 176.276 176.117 -0.307 0.000 1.188 389 I CA 0.091 61.280 61.300 -0.185 0.000 1.427 389 I CB 0.412 38.180 38.000 -0.386 0.000 1.365 389 I HN 0.362 nan 8.210 nan 0.000 0.585 390 Y N 6.862 126.847 120.300 -0.525 0.000 2.736 390 Y HA 0.151 4.701 4.550 0.000 0.000 0.339 390 Y C 1.430 177.037 175.900 -0.488 0.000 1.301 390 Y CA -0.572 57.063 58.100 -0.776 0.000 1.676 390 Y CB -0.671 37.187 38.460 -1.004 0.000 1.725 390 Y HN 0.485 nan 8.280 nan 0.000 0.466 391 H N 1.930 120.837 119.070 -0.270 0.000 2.357 391 H HA -0.240 4.316 4.556 0.000 0.000 0.296 391 H C 2.097 177.133 175.328 -0.487 0.000 1.108 391 H CA 1.947 57.831 56.048 -0.273 0.000 1.273 391 H CB -0.275 29.375 29.762 -0.186 0.000 1.367 391 H HN 0.568 nan 8.280 nan 0.000 0.498 392 L N 1.204 122.073 121.223 -0.590 0.000 2.010 392 L HA -0.276 4.064 4.340 0.000 0.000 0.219 392 L C 2.606 179.147 176.870 -0.549 0.000 1.077 392 L CA 2.224 56.694 54.840 -0.618 0.000 0.773 392 L CB -0.849 40.778 42.059 -0.721 0.000 0.892 392 L HN 0.272 nan 8.230 nan 0.000 0.436 393 Q N -1.576 117.723 119.800 -0.835 0.000 2.096 393 Q HA -0.171 4.169 4.340 0.000 0.000 0.197 393 Q C 2.256 178.162 176.000 -0.157 0.000 0.964 393 Q CA 1.415 56.988 55.803 -0.383 0.000 0.838 393 Q CB -0.212 28.417 28.738 -0.183 0.000 0.906 393 Q HN 0.514 nan 8.270 nan 0.000 0.444 394 L N 0.478 121.619 121.223 -0.136 0.000 2.012 394 L HA -0.150 4.190 4.340 0.000 0.000 0.210 394 L C 2.031 178.977 176.870 0.126 0.000 1.073 394 L CA 1.869 56.722 54.840 0.022 0.000 0.748 394 L CB -0.963 41.121 42.059 0.042 0.000 0.891 394 L HN 0.409 nan 8.230 nan 0.000 0.431 395 F N -0.105 119.815 119.950 -0.049 0.000 2.095 395 F HA -0.269 4.258 4.527 0.000 0.000 0.298 395 F C 2.533 178.333 175.800 0.000 0.000 1.104 395 F CA 1.572 59.584 58.000 0.019 0.000 1.232 395 F CB -0.010 38.920 39.000 -0.117 0.000 0.987 395 F HN 0.169 nan 8.300 nan 0.000 0.475 396 E N 0.897 121.011 120.200 -0.142 0.000 2.049 396 E HA -0.248 4.102 4.350 0.000 0.000 0.198 396 E C 2.045 178.560 176.600 -0.143 0.000 1.007 396 E CA 1.989 58.257 56.400 -0.219 0.000 0.809 396 E CB -0.414 29.199 29.700 -0.146 0.000 0.749 396 E HN 0.614 nan 8.360 nan 0.000 0.450 397 E N 0.257 120.423 120.200 -0.057 0.000 2.106 397 E HA -0.141 4.209 4.350 0.000 0.000 0.192 397 E C 2.482 179.085 176.600 0.004 0.000 0.984 397 E CA 0.566 56.956 56.400 -0.016 0.000 0.806 397 E CB -0.184 29.527 29.700 0.018 0.000 0.750 397 E HN 0.232 nan 8.360 nan 0.000 0.458 398 L N 0.766 122.012 121.223 0.038 0.000 2.046 398 L HA -0.191 4.149 4.340 0.000 0.000 0.208 398 L C 2.689 179.622 176.870 0.105 0.000 1.077 398 L CA 1.292 56.192 54.840 0.100 0.000 0.747 398 L CB -0.304 41.885 42.059 0.217 0.000 0.896 398 L HN 0.068 nan 8.230 nan 0.000 0.432 399 R N -0.491 120.003 120.500 -0.010 0.000 2.075 399 R HA -0.117 4.223 4.340 0.000 0.000 0.232 399 R C 2.436 178.715 176.300 -0.036 0.000 1.126 399 R CA 1.144 57.206 56.100 -0.065 0.000 0.963 399 R CB -0.264 29.818 30.300 -0.363 0.000 0.858 399 R HN 0.369 nan 8.270 nan 0.000 0.435 400 R N 0.592 121.058 120.500 -0.056 0.000 2.062 400 R HA -0.046 4.294 4.340 0.000 0.000 0.231 400 R C 2.313 178.613 176.300 0.001 0.000 1.136 400 R CA 1.110 57.190 56.100 -0.032 0.000 0.948 400 R CB -0.372 29.906 30.300 -0.036 0.000 0.845 400 R HN 0.192 nan 8.270 nan 0.000 0.430 401 L N 1.016 122.247 121.223 0.014 0.000 2.456 401 L HA 0.017 4.357 4.340 0.000 0.000 0.224 401 L C 0.790 177.682 176.870 0.038 0.000 1.148 401 L CA -0.282 54.573 54.840 0.025 0.000 0.825 401 L CB -0.256 41.819 42.059 0.026 0.000 0.937 401 L HN 0.137 nan 8.230 nan 0.000 0.450 402 A N 0.773 123.629 122.820 0.061 0.000 2.454 402 A HA 0.363 4.683 4.320 0.000 0.000 0.260 402 A C -1.977 175.649 177.584 0.069 0.000 1.106 402 A CA -1.117 50.974 52.037 0.090 0.000 0.780 402 A CB -0.439 18.679 19.000 0.197 0.000 1.044 402 A HN 0.009 nan 8.150 nan 0.000 0.498 403 P HA 0.124 nan 4.420 nan 0.000 0.270 403 P C -0.397 176.933 177.300 0.049 0.000 1.221 403 P CA 0.000 63.127 63.100 0.045 0.000 0.788 403 P CB 0.283 32.007 31.700 0.040 0.000 0.904 404 I N 0.249 120.840 120.570 0.035 0.000 2.496 404 I HA 0.301 4.471 4.170 0.000 0.000 0.285 404 I C 0.876 177.014 176.117 0.035 0.000 1.080 404 I CA 0.419 61.737 61.300 0.031 0.000 1.404 404 I CB 0.607 38.619 38.000 0.020 0.000 1.403 404 I HN 0.248 nan 8.210 nan 0.000 0.539 405 T N 2.643 117.221 114.554 0.039 0.000 2.894 405 T HA 0.354 4.704 4.350 0.000 0.000 0.309 405 T C 0.155 174.877 174.700 0.035 0.000 1.208 405 T CA -0.562 61.562 62.100 0.041 0.000 1.016 405 T CB 1.457 70.359 68.868 0.057 0.000 1.192 405 T HN 0.649 nan 8.240 nan 0.000 0.491 406 S N 1.481 117.201 115.700 0.032 0.000 2.663 406 S HA 0.250 4.720 4.470 0.000 0.000 0.243 406 S C -0.076 174.545 174.600 0.034 0.000 1.009 406 S CA -0.550 57.667 58.200 0.029 0.000 0.988 406 S CB 0.044 63.258 63.200 0.023 0.000 0.896 406 S HN 0.691 nan 8.310 nan 0.000 0.502 407 D N 2.924 123.349 120.400 0.041 0.000 2.336 407 D HA 0.303 4.943 4.640 0.000 0.000 0.249 407 D C -1.675 174.657 176.300 0.053 0.000 1.213 407 D CA -2.154 51.872 54.000 0.043 0.000 0.870 407 D CB 1.443 42.268 40.800 0.042 0.000 1.076 407 D HN -0.019 nan 8.370 nan 0.000 0.483 408 P HA -0.190 nan 4.420 nan 0.000 0.217 408 P C 1.270 178.618 177.300 0.079 0.000 1.151 408 P CA 1.928 65.071 63.100 0.072 0.000 0.849 408 P CB 0.057 31.818 31.700 0.101 0.000 0.787 409 T N -3.161 111.438 114.554 0.075 0.000 2.821 409 T HA -0.147 4.203 4.350 0.000 0.000 0.267 409 T C 1.797 176.548 174.700 0.085 0.000 1.046 409 T CA 1.203 63.347 62.100 0.073 0.000 1.139 409 T CB -0.817 68.078 68.868 0.044 0.000 0.871 409 T HN 0.024 nan 8.240 nan 0.000 0.454 410 E N 2.128 122.383 120.200 0.091 0.000 2.031 410 E HA 0.029 4.379 4.350 0.000 0.000 0.193 410 E C 2.422 179.084 176.600 0.102 0.000 0.994 410 E CA 1.515 57.997 56.400 0.136 0.000 0.800 410 E CB -0.912 28.865 29.700 0.128 0.000 0.752 410 E HN 0.591 nan 8.360 nan 0.000 0.447 411 A N -0.502 122.354 122.820 0.061 0.000 1.902 411 A HA -0.192 4.128 4.320 0.000 0.000 0.217 411 A C 2.439 180.034 177.584 0.019 0.000 1.181 411 A CA 2.215 54.267 52.037 0.025 0.000 0.623 411 A CB -1.085 17.930 19.000 0.025 0.000 0.818 411 A HN 0.369 nan 8.150 nan 0.000 0.443 412 T N 0.293 114.873 114.554 0.044 0.000 2.788 412 T HA -0.007 4.343 4.350 0.000 0.000 0.268 412 T C 2.201 176.923 174.700 0.037 0.000 1.044 412 T CA 1.498 63.624 62.100 0.044 0.000 1.139 412 T CB -0.428 68.480 68.868 0.067 0.000 0.867 412 T HN 0.605 nan 8.240 nan 0.000 0.454 413 A N 1.166 124.023 122.820 0.062 0.000 1.877 413 A HA -0.056 4.264 4.320 0.000 0.000 0.216 413 A C 2.597 180.190 177.584 0.015 0.000 1.186 413 A CA 1.507 53.598 52.037 0.090 0.000 0.620 413 A CB -1.070 18.057 19.000 0.210 0.000 0.822 413 A HN 0.349 nan 8.150 nan 0.000 0.443 414 V N 0.139 119.977 119.914 -0.126 0.000 2.287 414 V HA -0.204 3.916 4.120 0.000 0.000 0.248 414 V C 2.844 178.901 176.094 -0.060 0.000 1.053 414 V CA 1.991 64.111 62.300 -0.300 0.000 1.027 414 V CB -1.694 29.877 31.823 -0.420 0.000 0.646 414 V HN 0.613 nan 8.190 nan 0.000 0.447 415 G N -0.310 108.470 108.800 -0.033 0.000 2.469 415 G HA2 -0.251 3.709 3.960 0.000 0.000 0.219 415 G HA3 -0.251 3.709 3.960 0.000 0.000 0.219 415 G C 1.761 176.656 174.900 -0.007 0.000 1.150 415 G CA 1.234 46.334 45.100 -0.000 0.000 0.763 415 G HN 0.634 nan 8.290 nan 0.000 0.561 416 A N 0.041 122.849 122.820 -0.021 0.000 1.877 416 A HA 0.071 4.391 4.320 0.000 0.000 0.216 416 A C 2.633 180.154 177.584 -0.105 0.000 1.186 416 A CA 1.902 53.911 52.037 -0.047 0.000 0.620 416 A CB -0.700 18.281 19.000 -0.031 0.000 0.822 416 A HN 0.268 nan 8.150 nan 0.000 0.443 417 V N 0.175 120.020 119.914 -0.114 0.000 2.295 417 V HA -0.261 3.859 4.120 0.000 0.000 0.246 417 V C 2.644 178.559 176.094 -0.298 0.000 1.049 417 V CA 2.517 64.648 62.300 -0.282 0.000 1.024 417 V CB -0.778 30.929 31.823 -0.194 0.000 0.648 417 V HN 0.756 nan 8.190 nan 0.000 0.447 418 E N 1.045 121.233 120.200 -0.020 0.000 2.058 418 E HA -0.229 4.121 4.350 0.000 0.000 0.194 418 E C 2.110 178.742 176.600 0.053 0.000 0.997 418 E CA 2.009 58.498 56.400 0.148 0.000 0.801 418 E CB -0.639 29.207 29.700 0.244 0.000 0.746 418 E HN 0.486 nan 8.360 nan 0.000 0.450 419 A N 0.352 123.167 122.820 -0.009 0.000 1.908 419 A HA -0.237 4.083 4.320 0.000 0.000 0.218 419 A C 2.448 179.986 177.584 -0.077 0.000 1.181 419 A CA 2.757 54.776 52.037 -0.030 0.000 0.627 419 A CB -1.194 17.781 19.000 -0.041 0.000 0.818 419 A HN 0.485 nan 8.150 nan 0.000 0.445 420 S N -1.052 114.543 115.700 -0.175 0.000 2.382 420 S HA -0.136 4.334 4.470 0.000 0.000 0.228 420 S C 1.808 176.257 174.600 -0.252 0.000 1.027 420 S CA 1.408 59.452 58.200 -0.261 0.000 0.991 420 S CB -0.864 62.090 63.200 -0.411 0.000 0.823 420 S HN 0.484 nan 8.310 nan 0.000 0.469 421 F N 1.910 121.742 119.950 -0.197 0.000 2.206 421 F HA 0.115 4.642 4.527 0.000 0.000 0.298 421 F C 2.660 178.390 175.800 -0.117 0.000 1.090 421 F CA 1.008 58.891 58.000 -0.195 0.000 1.323 421 F CB -0.155 38.693 39.000 -0.253 0.000 1.028 421 F HN 0.186 nan 8.300 nan 0.000 0.492 422 K N 0.900 121.361 120.400 0.102 0.000 2.097 422 K HA -0.174 4.146 4.320 0.000 0.000 0.206 422 K C 1.627 178.236 176.600 0.016 0.000 1.049 422 K CA 1.827 58.144 56.287 0.050 0.000 0.933 422 K CB -0.637 31.884 32.500 0.034 0.000 0.717 422 K HN 0.404 nan 8.250 nan 0.000 0.442 423 C N -2.365 116.928 119.300 -0.010 0.000 3.000 423 C HA 0.451 4.911 4.460 0.000 0.000 0.286 423 C C 0.589 175.560 174.990 -0.032 0.000 1.343 423 C CA -0.811 58.193 59.018 -0.024 0.000 1.742 423 C CB -1.860 25.857 27.740 -0.038 0.000 2.200 423 C HN 0.450 nan 8.230 nan 0.000 0.621 424 C N 3.530 122.813 119.300 -0.029 0.000 4.235 424 C HA -0.134 4.326 4.460 0.000 0.000 0.301 424 C C 1.255 176.208 174.990 -0.062 0.000 1.409 424 C CA 1.026 60.022 59.018 -0.037 0.000 2.024 424 C CB -3.396 24.338 27.740 -0.010 0.000 1.286 424 C HN 1.043 nan 8.230 nan 0.000 0.746 425 S N 0.155 115.797 115.700 -0.097 0.000 2.563 425 S HA 0.359 4.829 4.470 0.000 0.000 0.284 425 S C 1.433 175.984 174.600 -0.083 0.000 1.331 425 S CA 0.371 58.507 58.200 -0.107 0.000 1.047 425 S CB 1.401 64.517 63.200 -0.139 0.000 0.859 425 S HN 1.104 nan 8.310 nan 0.000 0.514 426 G N 1.557 110.326 108.800 -0.051 0.000 2.471 426 G HA2 0.418 4.378 3.960 0.000 0.000 0.219 426 G HA3 0.418 4.378 3.960 0.000 0.000 0.219 426 G C 0.427 175.413 174.900 0.144 0.000 1.125 426 G CA 0.448 45.606 45.100 0.096 0.000 0.775 426 G HN 1.498 nan 8.290 nan 0.000 0.548 427 A N -1.343 121.482 122.820 0.009 0.000 2.483 427 A HA 0.634 4.954 4.320 0.000 0.000 0.294 427 A C -1.842 175.707 177.584 -0.057 0.000 1.077 427 A CA -0.708 51.346 52.037 0.029 0.000 0.633 427 A CB 0.286 19.453 19.000 0.279 0.000 1.318 427 A HN 0.192 nan 8.150 nan 0.000 0.455 428 I N 1.391 121.941 120.570 -0.034 0.000 2.466 428 I HA 0.313 4.483 4.170 0.000 0.000 0.279 428 I C -0.855 175.260 176.117 -0.003 0.000 1.033 428 I CA -0.146 61.123 61.300 -0.051 0.000 1.123 428 I CB 1.171 39.126 38.000 -0.074 0.000 1.237 428 I HN 0.472 nan 8.210 nan 0.000 0.460 429 I N 6.642 127.210 120.570 -0.003 0.000 2.471 429 I HA 0.223 4.393 4.170 0.000 0.000 0.286 429 I C -0.324 175.799 176.117 0.010 0.000 1.079 429 I CA -0.251 61.062 61.300 0.022 0.000 1.398 429 I CB 0.950 38.958 38.000 0.014 0.000 1.403 429 I HN 0.183 nan 8.210 nan 0.000 0.530 430 V N 7.563 127.488 119.914 0.019 0.000 2.577 430 V HA 0.332 4.452 4.120 0.000 0.000 0.303 430 V C -0.305 175.796 176.094 0.011 0.000 1.042 430 V CA -0.704 61.602 62.300 0.009 0.000 0.872 430 V CB 1.901 33.722 31.823 -0.002 0.000 0.998 430 V HN 0.368 nan 8.190 nan 0.000 0.423 431 L N 3.858 125.088 121.223 0.012 0.000 2.276 431 L HA 0.744 5.084 4.340 0.000 0.000 0.286 431 L C 0.330 177.206 176.870 0.011 0.000 1.061 431 L CA 0.823 55.674 54.840 0.019 0.000 0.807 431 L CB 1.524 43.592 42.059 0.015 0.000 1.177 431 L HN 0.869 nan 8.230 nan 0.000 0.429 432 T N 2.124 116.679 114.554 0.002 0.000 2.982 432 T HA 0.391 4.741 4.350 0.000 0.000 0.321 432 T C 0.503 175.192 174.700 -0.018 0.000 1.229 432 T CA -0.594 61.490 62.100 -0.027 0.000 1.044 432 T CB 1.070 69.881 68.868 -0.096 0.000 1.184 432 T HN 0.658 nan 8.240 nan 0.000 0.477 433 K N 1.232 121.622 120.400 -0.017 0.000 2.108 433 K HA 0.084 4.404 4.320 0.000 0.000 0.204 433 K C 2.269 178.851 176.600 -0.031 0.000 1.036 433 K CA 1.114 57.398 56.287 -0.006 0.000 0.965 433 K CB -0.059 32.448 32.500 0.011 0.000 0.804 433 K HN 0.630 nan 8.250 nan 0.000 0.454 434 S N -0.679 114.985 115.700 -0.060 0.000 2.478 434 S HA 0.150 4.620 4.470 0.000 0.000 0.222 434 S C 1.587 176.096 174.600 -0.153 0.000 1.008 434 S CA 0.617 58.773 58.200 -0.072 0.000 0.928 434 S CB 0.534 63.694 63.200 -0.066 0.000 0.781 434 S HN 0.499 nan 8.310 nan 0.000 0.518 435 G N 1.920 110.562 108.800 -0.263 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 1.072 175.365 174.900 -1.012 0.000 1.009 435 G CA 0.156 44.926 45.100 -0.550 0.000 0.625 435 G HN 0.407 nan 8.290 nan 0.000 0.501 436 R N 0.993 121.085 120.500 -0.681 0.000 2.134 436 R HA -0.154 4.186 4.340 0.000 0.000 0.248 436 R C 2.728 178.852 176.300 -0.294 0.000 1.143 436 R CA 2.123 57.960 56.100 -0.439 0.000 0.957 436 R CB -0.622 29.585 30.300 -0.154 0.000 0.867 436 R HN 0.468 nan 8.270 nan 0.000 0.441 437 S N 0.450 116.020 115.700 -0.216 0.000 2.370 437 S HA -0.151 4.319 4.470 0.000 0.000 0.226 437 S C 2.056 176.593 174.600 -0.104 0.000 1.033 437 S CA 1.316 59.452 58.200 -0.106 0.000 1.011 437 S CB -0.171 62.992 63.200 -0.062 0.000 0.852 437 S HN 0.529 nan 8.310 nan 0.000 0.457 438 A N 1.398 124.106 122.820 -0.188 0.000 1.968 438 A HA -0.092 4.228 4.320 0.000 0.000 0.217 438 A C 1.774 179.312 177.584 -0.078 0.000 1.169 438 A CA 1.139 53.105 52.037 -0.117 0.000 0.638 438 A CB -0.686 18.240 19.000 -0.123 0.000 0.812 438 A HN 0.463 nan 8.150 nan 0.000 0.446 439 H N 0.262 119.173 119.070 -0.266 0.000 2.290 439 H HA -0.147 4.409 4.556 0.000 0.000 0.298 439 H C 2.159 177.411 175.328 -0.128 0.000 1.087 439 H CA 1.857 57.660 56.048 -0.409 0.000 1.291 439 H CB -0.787 28.654 29.762 -0.535 0.000 1.369 439 H HN 0.660 nan 8.280 nan 0.000 0.492 440 Q N 0.017 119.859 119.800 0.070 0.000 2.197 440 Q HA -0.104 4.236 4.340 0.000 0.000 0.207 440 Q C 2.475 178.572 176.000 0.161 0.000 0.984 440 Q CA 1.458 57.316 55.803 0.092 0.000 0.869 440 Q CB -0.102 28.704 28.738 0.114 0.000 0.906 440 Q HN 0.206 nan 8.270 nan 0.000 0.426 441 V N 0.684 120.677 119.914 0.133 0.000 2.453 441 V HA -0.222 3.898 4.120 0.000 0.000 0.247 441 V C 2.201 178.386 176.094 0.151 0.000 1.048 441 V CA 1.631 64.030 62.300 0.165 0.000 1.049 441 V CB -0.774 31.092 31.823 0.072 0.000 0.672 441 V HN 0.400 nan 8.190 nan 0.000 0.457 442 A N 1.393 124.279 122.820 0.109 0.000 1.898 442 A HA -0.226 4.094 4.320 0.000 0.000 0.216 442 A C 2.324 179.972 177.584 0.106 0.000 1.181 442 A CA 1.782 53.893 52.037 0.124 0.000 0.620 442 A CB -0.550 18.557 19.000 0.178 0.000 0.819 442 A HN 0.677 nan 8.150 nan 0.000 0.442 443 R N -2.019 118.500 120.500 0.033 0.000 2.249 443 R HA -0.135 4.205 4.340 0.000 0.000 0.230 443 R C 0.672 176.846 176.300 -0.210 0.000 1.121 443 R CA 1.662 57.698 56.100 -0.106 0.000 0.997 443 R CB -0.537 29.625 30.300 -0.229 0.000 0.867 443 R HN 0.489 nan 8.270 nan 0.000 0.465 444 Y N 1.082 121.485 120.300 0.171 0.000 2.493 444 Y HA 0.308 4.858 4.550 0.000 0.000 0.275 444 Y C 0.007 176.056 175.900 0.248 0.000 1.183 444 Y CA -0.694 57.558 58.100 0.254 0.000 1.258 444 Y CB 0.344 38.989 38.460 0.309 0.000 1.108 444 Y HN -0.090 nan 8.280 nan 0.000 0.521 445 R N 0.476 121.124 120.500 0.247 0.000 2.965 445 R HA -0.173 4.167 4.340 0.000 0.000 0.245 445 R C -2.849 173.551 176.300 0.166 0.000 0.861 445 R CA 0.231 56.455 56.100 0.207 0.000 0.614 445 R CB -1.871 28.573 30.300 0.242 0.000 1.229 445 R HN 0.305 nan 8.270 nan 0.000 0.503 446 P HA 0.087 nan 4.420 nan 0.000 0.276 446 P C 0.542 177.619 177.300 -0.371 0.000 1.244 446 P CA -0.432 62.380 63.100 -0.480 0.000 0.801 446 P CB 0.698 32.085 31.700 -0.522 0.000 1.006 447 R N 1.514 121.640 120.500 -0.622 0.000 2.119 447 R HA 0.066 4.406 4.340 0.000 0.000 0.222 447 R C 0.849 176.988 176.300 -0.268 0.000 1.088 447 R CA 0.617 56.459 56.100 -0.429 0.000 0.984 447 R CB -0.491 29.503 30.300 -0.510 0.000 0.884 447 R HN 0.600 nan 8.270 nan 0.000 0.447 448 A N 2.449 125.076 122.820 -0.322 0.000 2.407 448 A HA 0.329 4.649 4.320 0.000 0.000 0.248 448 A C -2.237 175.236 177.584 -0.185 0.000 1.082 448 A CA -1.459 50.441 52.037 -0.227 0.000 0.785 448 A CB 0.056 18.923 19.000 -0.221 0.000 1.020 448 A HN 0.272 nan 8.150 nan 0.000 0.489 449 P HA 0.209 nan 4.420 nan 0.000 0.271 449 P C -0.813 176.448 177.300 -0.065 0.000 1.218 449 P CA 0.225 63.221 63.100 -0.174 0.000 0.780 449 P CB 0.551 31.997 31.700 -0.423 0.000 0.901 450 I N 3.743 124.316 120.570 0.004 0.000 2.313 450 I HA 0.253 4.423 4.170 0.000 0.000 0.286 450 I C 0.746 176.929 176.117 0.110 0.000 1.091 450 I CA -0.599 60.724 61.300 0.039 0.000 1.216 450 I CB 0.062 38.084 38.000 0.036 0.000 1.434 450 I HN 0.120 nan 8.210 nan 0.000 0.487 451 I N 5.898 126.550 120.570 0.138 0.000 2.389 451 I HA 0.153 4.323 4.170 0.000 0.000 0.295 451 I C 0.878 177.062 176.117 0.112 0.000 1.117 451 I CA 0.070 61.489 61.300 0.199 0.000 1.317 451 I CB 0.382 38.509 38.000 0.212 0.000 1.431 451 I HN 0.572 nan 8.210 nan 0.000 0.521 452 A N 7.323 130.195 122.820 0.087 0.000 2.279 452 A HA 0.524 4.844 4.320 0.000 0.000 0.306 452 A C -0.175 177.429 177.584 0.034 0.000 1.300 452 A CA -0.399 51.656 52.037 0.031 0.000 0.925 452 A CB 0.396 19.390 19.000 -0.009 0.000 1.152 452 A HN 0.467 nan 8.150 nan 0.000 0.544 453 V N 3.061 123.002 119.914 0.046 0.000 2.406 453 V HA 0.625 4.745 4.120 0.000 0.000 0.272 453 V C 0.609 176.756 176.094 0.089 0.000 1.043 453 V CA 0.099 62.453 62.300 0.090 0.000 0.915 453 V CB 1.099 32.994 31.823 0.120 0.000 0.988 453 V HN 0.984 nan 8.190 nan 0.000 0.466 454 T N 4.248 118.871 114.554 0.115 0.000 2.843 454 T HA 0.453 4.803 4.350 0.000 0.000 0.302 454 T C 0.493 175.251 174.700 0.097 0.000 1.232 454 T CA -0.575 61.573 62.100 0.081 0.000 1.009 454 T CB 1.909 70.800 68.868 0.040 0.000 1.254 454 T HN 0.629 nan 8.240 nan 0.000 0.504 455 R N 0.792 121.329 120.500 0.062 0.000 2.279 455 R HA 0.223 4.563 4.340 0.000 0.000 0.195 455 R C 0.425 176.748 176.300 0.038 0.000 0.905 455 R CA -0.239 55.888 56.100 0.045 0.000 1.044 455 R CB 0.202 30.519 30.300 0.028 0.000 1.056 455 R HN 0.424 nan 8.270 nan 0.000 0.535 456 N N 2.706 121.428 118.700 0.036 0.000 2.405 456 N HA 0.018 4.758 4.740 0.000 0.000 0.260 456 N C -1.744 173.791 175.510 0.042 0.000 1.152 456 N CA -1.570 51.498 53.050 0.030 0.000 0.948 456 N CB 1.448 39.948 38.487 0.021 0.000 1.111 456 N HN -0.023 nan 8.380 nan 0.000 0.485 457 P HA -0.142 nan 4.420 nan 0.000 0.221 457 P C 1.057 178.394 177.300 0.062 0.000 1.150 457 P CA 1.013 64.154 63.100 0.069 0.000 0.800 457 P CB 0.518 32.260 31.700 0.070 0.000 0.787 458 Q N 0.645 120.472 119.800 0.045 0.000 2.119 458 Q HA -0.110 4.230 4.340 0.000 0.000 0.201 458 Q C 2.172 178.202 176.000 0.049 0.000 0.972 458 Q CA 2.531 58.360 55.803 0.044 0.000 0.847 458 Q CB -0.500 28.257 28.738 0.032 0.000 0.903 458 Q HN 0.287 nan 8.270 nan 0.000 0.433 459 T N -2.356 112.222 114.554 0.039 0.000 2.904 459 T HA 0.053 4.403 4.350 0.000 0.000 0.267 459 T C 1.799 176.512 174.700 0.022 0.000 1.059 459 T CA 0.874 62.996 62.100 0.036 0.000 1.137 459 T CB -0.274 68.599 68.868 0.007 0.000 0.879 459 T HN 0.310 nan 8.240 nan 0.000 0.467 460 A N 1.503 124.333 122.820 0.016 0.000 1.969 460 A HA 0.114 4.434 4.320 0.000 0.000 0.218 460 A C 2.543 180.089 177.584 -0.063 0.000 1.169 460 A CA 1.205 53.228 52.037 -0.024 0.000 0.635 460 A CB -0.553 18.464 19.000 0.029 0.000 0.810 460 A HN 0.493 nan 8.150 nan 0.000 0.445 461 R N -0.571 119.948 120.500 0.032 0.000 2.055 461 R HA -0.040 4.300 4.340 0.000 0.000 0.226 461 R C 2.390 178.770 176.300 0.134 0.000 1.135 461 R CA 1.542 57.707 56.100 0.107 0.000 0.959 461 R CB -0.290 30.074 30.300 0.106 0.000 0.854 461 R HN 0.640 nan 8.270 nan 0.000 0.431 462 Q N -0.251 119.611 119.800 0.105 0.000 2.291 462 Q HA -0.086 4.254 4.340 0.000 0.000 0.206 462 Q C 1.925 178.035 176.000 0.183 0.000 0.976 462 Q CA 1.140 57.029 55.803 0.144 0.000 0.875 462 Q CB -0.036 28.786 28.738 0.140 0.000 0.927 462 Q HN 0.352 nan 8.270 nan 0.000 0.450 463 A N 0.837 123.715 122.820 0.095 0.000 2.070 463 A HA -0.207 4.113 4.320 0.000 0.000 0.220 463 A C 1.505 179.157 177.584 0.112 0.000 1.159 463 A CA 1.098 53.202 52.037 0.111 0.000 0.656 463 A CB -0.593 18.377 19.000 -0.051 0.000 0.800 463 A HN 0.387 nan 8.150 nan 0.000 0.453 464 H N -0.243 118.902 119.070 0.124 0.000 2.489 464 H HA -0.041 4.515 4.556 0.000 0.000 0.295 464 H C 1.721 177.100 175.328 0.086 0.000 1.082 464 H CA 1.300 57.397 56.048 0.081 0.000 1.295 464 H CB -0.252 29.528 29.762 0.030 0.000 1.380 464 H HN 0.454 nan 8.280 nan 0.000 0.548 465 L N 0.255 121.597 121.223 0.198 0.000 2.549 465 L HA -0.145 4.195 4.340 0.000 0.000 0.230 465 L C -0.024 176.707 176.870 -0.232 0.000 1.162 465 L CA 0.656 55.487 54.840 -0.015 0.000 0.834 465 L CB -0.246 41.756 42.059 -0.095 0.000 0.947 465 L HN 0.133 nan 8.230 nan 0.000 0.452 466 Y N -0.853 119.452 120.300 0.008 0.000 2.335 466 Y HA 0.407 4.957 4.550 0.000 0.000 0.338 466 Y C 0.541 176.462 175.900 0.034 0.000 0.977 466 Y CA -1.443 56.656 58.100 -0.002 0.000 1.114 466 Y CB 0.875 39.329 38.460 -0.011 0.000 1.182 466 Y HN -0.137 nan 8.280 nan 0.000 0.463 467 R N 1.558 122.138 120.500 0.132 0.000 2.502 467 R HA 0.316 4.656 4.340 0.000 0.000 0.292 467 R C 1.188 177.564 176.300 0.127 0.000 0.998 467 R CA 1.446 57.611 56.100 0.109 0.000 1.056 467 R CB -0.458 29.891 30.300 0.081 0.000 0.939 467 R HN 0.971 nan 8.270 nan 0.000 0.411 468 G N 4.116 112.979 108.800 0.105 0.000 2.383 468 G HA2 -0.308 3.652 3.960 0.000 0.000 0.229 468 G HA3 -0.308 3.652 3.960 0.000 0.000 0.229 468 G C 0.313 175.275 174.900 0.103 0.000 1.089 468 G CA 0.093 45.240 45.100 0.079 0.000 0.640 468 G HN 0.605 nan 8.290 nan 0.000 0.510 469 I N 1.461 122.110 120.570 0.132 0.000 2.662 469 I HA 0.283 4.453 4.170 0.000 0.000 0.285 469 I C 0.093 176.297 176.117 0.144 0.000 1.161 469 I CA 0.104 61.476 61.300 0.122 0.000 1.415 469 I CB 0.275 38.338 38.000 0.105 0.000 1.385 469 I HN 0.177 nan 8.210 nan 0.000 0.552 470 F N 9.919 129.876 119.950 0.013 0.000 2.325 470 F HA 0.490 5.017 4.527 0.000 0.000 0.369 470 F C -2.358 173.435 175.800 -0.011 0.000 1.095 470 F CA -2.775 55.246 58.000 0.036 0.000 1.082 470 F CB 0.813 39.883 39.000 0.117 0.000 1.289 470 F HN 0.236 nan 8.300 nan 0.000 0.462 471 P HA 0.184 nan 4.420 nan 0.000 0.271 471 P C -1.233 175.899 177.300 -0.279 0.000 1.216 471 P CA -0.061 62.847 63.100 -0.319 0.000 0.776 471 P CB 1.365 32.791 31.700 -0.458 0.000 0.881 472 V N 4.463 124.337 119.914 -0.067 0.000 2.612 472 V HA 0.227 4.347 4.120 0.000 0.000 0.301 472 V C -0.886 175.325 176.094 0.196 0.000 1.059 472 V CA -0.659 61.654 62.300 0.022 0.000 0.886 472 V CB 1.973 33.741 31.823 -0.091 0.000 1.007 472 V HN 0.311 nan 8.190 nan 0.000 0.426 473 L N 6.400 127.829 121.223 0.343 0.000 2.255 473 L HA 0.552 4.892 4.340 0.000 0.000 0.289 473 L C -0.042 177.068 176.870 0.400 0.000 1.046 473 L CA 0.190 55.231 54.840 0.335 0.000 0.816 473 L CB 0.827 43.066 42.059 0.299 0.000 1.197 473 L HN 0.816 nan 8.230 nan 0.000 0.427 474 C N 6.054 125.523 119.300 0.282 0.000 2.499 474 C HA 0.303 4.763 4.460 0.000 0.000 0.386 474 C C 1.462 176.367 174.990 -0.143 0.000 1.293 474 C CA -0.509 58.470 59.018 -0.066 0.000 1.884 474 C CB -0.366 27.380 27.740 0.009 0.000 2.509 474 C HN 0.883 nan 8.230 nan 0.000 0.566 475 K N 2.539 122.773 120.400 -0.277 0.000 2.354 475 K HA 0.132 4.452 4.320 0.000 0.000 0.194 475 K C 0.355 176.853 176.600 -0.170 0.000 1.045 475 K CA 0.136 56.313 56.287 -0.184 0.000 1.026 475 K CB -0.084 32.306 32.500 -0.183 0.000 0.866 475 K HN 0.738 nan 8.250 nan 0.000 0.530 476 D N 3.399 123.665 120.400 -0.225 0.000 2.478 476 D HA -0.000 4.640 4.640 0.000 0.000 0.234 476 D C -2.015 174.227 176.300 -0.097 0.000 1.154 476 D CA -0.522 53.383 54.000 -0.159 0.000 0.874 476 D CB 0.384 41.078 40.800 -0.176 0.000 1.198 476 D HN 0.076 nan 8.370 nan 0.000 0.455 477 P HA 0.062 nan 4.420 nan 0.000 0.278 477 P C -0.364 176.919 177.300 -0.030 0.000 1.238 477 P CA -0.480 62.594 63.100 -0.043 0.000 0.794 477 P CB 0.754 32.433 31.700 -0.036 0.000 0.955 478 V N 3.467 123.375 119.914 -0.011 0.000 2.599 478 V HA -0.029 4.091 4.120 0.000 0.000 0.300 478 V C 1.075 177.177 176.094 0.013 0.000 1.034 478 V CA 0.108 62.414 62.300 0.010 0.000 1.115 478 V CB -0.404 31.437 31.823 0.030 0.000 0.934 478 V HN 0.520 nan 8.190 nan 0.000 0.485 479 Q N 3.333 123.143 119.800 0.016 0.000 2.312 479 Q HA 0.298 4.638 4.340 0.000 0.000 0.236 479 Q C 0.936 176.963 176.000 0.046 0.000 0.965 479 Q CA -0.340 55.474 55.803 0.018 0.000 0.894 479 Q CB 1.069 29.811 28.738 0.006 0.000 1.225 479 Q HN 0.725 nan 8.270 nan 0.000 0.478 480 E N 0.496 120.720 120.200 0.040 0.000 2.158 480 E HA 0.012 4.362 4.350 0.000 0.000 0.191 480 E C -0.049 176.598 176.600 0.079 0.000 0.982 480 E CA 0.512 56.943 56.400 0.051 0.000 0.823 480 E CB 0.276 29.994 29.700 0.031 0.000 0.766 480 E HN 0.602 nan 8.360 nan 0.000 0.468 481 A N 0.939 123.801 122.820 0.070 0.000 2.671 481 A HA -0.000 4.320 4.320 0.000 0.000 0.306 481 A C 0.300 177.963 177.584 0.131 0.000 1.473 481 A CA -0.292 51.799 52.037 0.090 0.000 1.155 481 A CB -0.678 18.351 19.000 0.048 0.000 1.123 481 A HN 0.441 nan 8.150 nan 0.000 0.545 482 W N 3.377 124.669 121.300 -0.014 0.000 2.290 482 W HA -0.374 4.286 4.660 0.000 0.000 0.318 482 W C 1.989 178.504 176.519 -0.006 0.000 1.248 482 W CA 2.959 60.294 57.345 -0.016 0.000 1.263 482 W CB -0.192 29.251 29.460 -0.028 0.000 1.147 482 W HN 0.691 nan 8.180 nan 0.000 0.494 483 A N -0.052 122.805 122.820 0.062 0.000 1.917 483 A HA -0.273 4.047 4.320 0.000 0.000 0.219 483 A C 1.861 179.343 177.584 -0.170 0.000 1.182 483 A CA 2.117 54.085 52.037 -0.115 0.000 0.633 483 A CB -0.839 18.174 19.000 0.022 0.000 0.819 483 A HN 0.541 nan 8.150 nan 0.000 0.448 484 E N -1.104 119.044 120.200 -0.087 0.000 2.299 484 E HA -0.113 4.237 4.350 0.000 0.000 0.193 484 E C 1.452 177.988 176.600 -0.106 0.000 0.998 484 E CA 0.716 57.069 56.400 -0.079 0.000 0.851 484 E CB -0.105 29.576 29.700 -0.032 0.000 0.795 484 E HN 0.674 nan 8.360 nan 0.000 0.492 485 D N 0.693 121.013 120.400 -0.134 0.000 2.117 485 D HA -0.119 4.521 4.640 0.000 0.000 0.198 485 D C 1.946 178.124 176.300 -0.203 0.000 0.982 485 D CA 0.695 54.618 54.000 -0.128 0.000 0.828 485 D CB 0.165 40.918 40.800 -0.078 0.000 0.967 485 D HN -0.093 nan 8.370 nan 0.000 0.464 486 V N 0.902 120.581 119.914 -0.392 0.000 2.237 486 V HA -0.220 3.900 4.120 0.000 0.000 0.245 486 V C 2.032 178.002 176.094 -0.208 0.000 1.046 486 V CA 2.067 64.128 62.300 -0.398 0.000 1.007 486 V CB -0.556 30.853 31.823 -0.689 0.000 0.638 486 V HN 0.274 nan 8.190 nan 0.000 0.445 487 D N -0.291 119.998 120.400 -0.183 0.000 2.228 487 D HA -0.189 4.451 4.640 0.000 0.000 0.203 487 D C 1.979 178.249 176.300 -0.049 0.000 0.988 487 D CA 1.447 55.389 54.000 -0.098 0.000 0.864 487 D CB 0.002 40.754 40.800 -0.080 0.000 0.928 487 D HN 0.348 nan 8.370 nan 0.000 0.469 488 L N 1.188 122.380 121.223 -0.052 0.000 2.027 488 L HA -0.101 4.239 4.340 0.000 0.000 0.206 488 L C 2.306 179.201 176.870 0.041 0.000 1.074 488 L CA 1.503 56.335 54.840 -0.013 0.000 0.745 488 L CB -0.237 41.801 42.059 -0.035 0.000 0.898 488 L HN -0.196 nan 8.230 nan 0.000 0.433 489 R N -1.012 119.507 120.500 0.031 0.000 2.073 489 R HA -0.107 4.233 4.340 0.000 0.000 0.234 489 R C 2.129 178.513 176.300 0.140 0.000 1.134 489 R CA 1.589 57.763 56.100 0.122 0.000 0.952 489 R CB -0.704 29.636 30.300 0.066 0.000 0.850 489 R HN 0.302 nan 8.270 nan 0.000 0.433 490 V N 1.974 121.917 119.914 0.049 0.000 2.469 490 V HA -0.248 3.872 4.120 0.000 0.000 0.251 490 V C 1.801 177.932 176.094 0.062 0.000 1.064 490 V CA 1.603 63.924 62.300 0.034 0.000 1.066 490 V CB -0.528 31.287 31.823 -0.015 0.000 0.667 490 V HN 0.376 nan 8.190 nan 0.000 0.461 491 N N -0.708 118.041 118.700 0.081 0.000 2.300 491 N HA -0.076 4.664 4.740 0.000 0.000 0.179 491 N C 1.715 177.331 175.510 0.177 0.000 1.016 491 N CA 0.946 54.055 53.050 0.098 0.000 0.876 491 N CB -0.161 38.369 38.487 0.072 0.000 0.979 491 N HN 0.497 nan 8.380 nan 0.000 0.432 492 F N 2.528 122.494 119.950 0.026 0.000 2.075 492 F HA -0.090 4.437 4.527 0.000 0.000 0.297 492 F C 2.251 178.089 175.800 0.063 0.000 1.113 492 F CA 1.241 59.263 58.000 0.037 0.000 1.218 492 F CB -0.879 38.140 39.000 0.031 0.000 0.984 492 F HN -0.016 nan 8.300 nan 0.000 0.472 493 A N 0.411 123.200 122.820 -0.051 0.000 1.883 493 A HA -0.269 4.051 4.320 0.000 0.000 0.217 493 A C 2.272 179.879 177.584 0.039 0.000 1.186 493 A CA 2.230 54.199 52.037 -0.112 0.000 0.624 493 A CB -1.091 17.916 19.000 0.012 0.000 0.822 493 A HN 0.479 nan 8.150 nan 0.000 0.444 494 M N 0.308 119.979 119.600 0.118 0.000 2.195 494 M HA -0.166 4.314 4.480 0.000 0.000 0.260 494 M C 1.503 177.920 176.300 0.195 0.000 1.066 494 M CA 1.662 57.092 55.300 0.216 0.000 1.089 494 M CB -0.553 32.116 32.600 0.115 0.000 1.377 494 M HN 0.468 nan 8.290 nan 0.000 0.411 495 N N -0.873 117.875 118.700 0.080 0.000 2.251 495 N HA -0.039 4.701 4.740 0.000 0.000 0.181 495 N C 1.743 177.193 175.510 -0.100 0.000 1.019 495 N CA 1.450 54.518 53.050 0.029 0.000 0.862 495 N CB -0.492 38.049 38.487 0.089 0.000 0.992 495 N HN 0.248 nan 8.380 nan 0.000 0.429 496 V N 1.444 121.250 119.914 -0.180 0.000 2.282 496 V HA -0.222 3.898 4.120 0.000 0.000 0.249 496 V C 2.511 178.298 176.094 -0.513 0.000 1.057 496 V CA 2.203 64.323 62.300 -0.299 0.000 1.032 496 V CB -1.371 30.251 31.823 -0.336 0.000 0.645 496 V HN 0.339 nan 8.190 nan 0.000 0.447 497 G N -0.347 108.148 108.800 -0.508 0.000 2.459 497 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 497 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 497 G C 1.642 175.858 174.900 -1.140 0.000 1.183 497 G CA 1.039 45.477 45.100 -1.103 0.000 0.776 497 G HN 0.487 nan 8.290 nan 0.000 0.552 498 K N 0.554 120.605 120.400 -0.581 0.000 2.103 498 K HA -0.008 4.312 4.320 0.000 0.000 0.207 498 K C 2.910 179.329 176.600 -0.302 0.000 1.048 498 K CA 1.062 57.166 56.287 -0.306 0.000 0.930 498 K CB -0.202 32.272 32.500 -0.043 0.000 0.716 498 K HN 0.301 nan 8.250 nan 0.000 0.444 499 A N 1.223 123.856 122.820 -0.311 0.000 1.929 499 A HA -0.071 4.249 4.320 0.000 0.000 0.216 499 A C 1.907 179.285 177.584 -0.342 0.000 1.176 499 A CA 0.912 52.799 52.037 -0.250 0.000 0.628 499 A CB -0.101 18.796 19.000 -0.172 0.000 0.816 499 A HN 0.072 nan 8.150 nan 0.000 0.444 500 R N -0.937 119.197 120.500 -0.611 0.000 2.307 500 R HA 0.051 4.391 4.340 0.000 0.000 0.199 500 R C 1.315 177.283 176.300 -0.553 0.000 1.000 500 R CA 0.734 56.386 56.100 -0.746 0.000 1.023 500 R CB -0.744 28.632 30.300 -1.539 0.000 0.908 500 R HN 0.868 nan 8.270 nan 0.000 0.473 501 G N 0.250 108.784 108.800 -0.442 0.000 2.141 501 G HA2 -0.255 3.705 3.960 0.000 0.000 0.242 501 G HA3 -0.255 3.705 3.960 0.000 0.000 0.242 501 G C 0.594 175.474 174.900 -0.033 0.000 0.982 501 G CA 0.092 45.082 45.100 -0.184 0.000 0.662 501 G HN 0.236 nan 8.290 nan 0.000 0.527 502 F N 0.010 119.691 119.950 -0.447 0.000 2.234 502 F HA 0.342 4.869 4.527 0.000 0.000 0.299 502 F C 1.365 177.028 175.800 -0.228 0.000 1.087 502 F CA 0.762 58.509 58.000 -0.421 0.000 1.340 502 F CB -0.694 37.921 39.000 -0.640 0.000 1.031 502 F HN 0.440 nan 8.300 nan 0.000 0.500 503 F N -2.896 117.115 119.950 0.101 0.000 2.719 503 F HA 0.569 5.096 4.527 0.000 0.000 0.309 503 F C -0.605 175.197 175.800 0.003 0.000 1.138 503 F CA -2.211 55.811 58.000 0.036 0.000 0.943 503 F CB 0.669 39.684 39.000 0.026 0.000 1.304 503 F HN -0.444 nan 8.300 nan 0.000 0.445 504 K N 0.909 121.478 120.400 0.281 0.000 2.632 504 K HA 0.370 4.690 4.320 0.000 0.000 0.267 504 K C 0.810 177.508 176.600 0.163 0.000 1.028 504 K CA -0.883 55.504 56.287 0.166 0.000 1.045 504 K CB 1.247 33.800 32.500 0.089 0.000 1.400 504 K HN 0.794 nan 8.250 nan 0.000 0.522 505 K N 0.587 121.041 120.400 0.089 0.000 1.973 505 K HA -0.116 4.204 4.320 0.000 0.000 0.210 505 K C 1.963 178.578 176.600 0.025 0.000 1.045 505 K CA 1.842 58.163 56.287 0.056 0.000 0.937 505 K CB -0.740 31.782 32.500 0.037 0.000 0.721 505 K HN 0.741 nan 8.250 nan 0.000 0.438 506 G N 1.408 110.219 108.800 0.019 0.000 2.450 506 G HA2 -0.194 3.766 3.960 0.000 0.000 0.220 506 G HA3 -0.194 3.766 3.960 0.000 0.000 0.220 506 G C 0.077 174.967 174.900 -0.016 0.000 1.130 506 G CA 0.657 45.757 45.100 0.001 0.000 0.760 506 G HN 0.419 nan 8.290 nan 0.000 0.557 507 D N -0.402 119.994 120.400 -0.007 0.000 2.405 507 D HA 0.198 4.838 4.640 0.000 0.000 0.232 507 D C 0.369 176.606 176.300 -0.105 0.000 1.240 507 D CA 0.167 54.146 54.000 -0.036 0.000 0.881 507 D CB 1.031 41.836 40.800 0.007 0.000 1.222 507 D HN -0.010 nan 8.370 nan 0.000 0.482 508 V N 0.876 120.718 119.914 -0.120 0.000 2.769 508 V HA 0.591 4.711 4.120 0.000 0.000 0.312 508 V C 0.260 176.224 176.094 -0.217 0.000 1.058 508 V CA -0.627 61.584 62.300 -0.148 0.000 0.952 508 V CB 2.175 33.940 31.823 -0.097 0.000 1.019 508 V HN 0.281 nan 8.190 nan 0.000 0.445 509 V N 3.815 123.586 119.914 -0.238 0.000 3.049 509 V HA 0.521 4.641 4.120 0.000 0.000 0.309 509 V C -1.074 174.916 176.094 -0.173 0.000 1.148 509 V CA -0.673 61.468 62.300 -0.266 0.000 0.990 509 V CB 2.423 33.977 31.823 -0.448 0.000 1.039 509 V HN 0.582 nan 8.190 nan 0.000 0.430 510 I N 3.119 123.604 120.570 -0.142 0.000 2.353 510 I HA 0.506 4.676 4.170 0.000 0.000 0.293 510 I C -0.140 175.928 176.117 -0.082 0.000 0.992 510 I CA -0.517 60.722 61.300 -0.102 0.000 1.268 510 I CB 1.425 39.364 38.000 -0.101 0.000 1.387 510 I HN 0.225 nan 8.210 nan 0.000 0.478 511 V N 7.070 126.948 119.914 -0.060 0.000 2.487 511 V HA 0.463 4.583 4.120 0.000 0.000 0.298 511 V C -0.011 176.072 176.094 -0.019 0.000 1.028 511 V CA -0.665 61.610 62.300 -0.041 0.000 0.860 511 V CB 2.370 34.166 31.823 -0.045 0.000 0.991 511 V HN 0.435 nan 8.190 nan 0.000 0.427 512 L N 5.261 126.480 121.223 -0.006 0.000 2.296 512 L HA 0.784 5.124 4.340 0.000 0.000 0.286 512 L C 0.330 177.215 176.870 0.024 0.000 1.023 512 L CA -0.025 54.823 54.840 0.014 0.000 0.812 512 L CB 2.025 44.094 42.059 0.017 0.000 1.223 512 L HN 0.939 nan 8.230 nan 0.000 0.421 513 T N -0.319 114.263 114.554 0.048 0.000 2.696 513 T HA 0.803 5.153 4.350 0.000 0.000 0.291 513 T C -0.208 174.579 174.700 0.145 0.000 1.095 513 T CA -0.511 61.626 62.100 0.062 0.000 1.026 513 T CB 2.037 70.910 68.868 0.009 0.000 1.390 513 T HN 0.578 nan 8.240 nan 0.000 0.513 514 G N -1.048 107.880 108.800 0.214 0.000 3.042 514 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 -0.011 175.174 174.900 0.475 0.000 1.371 514 G CA -0.596 44.701 45.100 0.328 0.000 1.009 514 G HN 0.959 nan 8.290 nan 0.000 0.523 515 W N -0.271 121.215 121.300 0.310 0.000 3.177 515 W HA 0.360 5.020 4.660 0.000 0.000 0.309 515 W C 0.261 176.793 176.519 0.021 0.000 1.224 515 W CA -0.244 57.246 57.345 0.241 0.000 1.718 515 W CB -0.175 29.347 29.460 0.103 0.000 1.078 515 W HN 0.638 nan 8.180 nan 0.000 0.618 516 R N 0.191 120.267 120.500 -0.706 0.000 2.664 516 R HA 0.470 4.810 4.340 0.000 0.000 0.266 516 R C -3.313 172.335 176.300 -1.088 0.000 1.046 516 R CA -1.533 53.759 56.100 -1.346 0.000 0.885 516 R CB 0.959 30.331 30.300 -1.547 0.000 1.254 516 R HN -0.396 nan 8.270 nan 0.000 0.465 517 P HA 0.288 nan 4.420 nan 0.000 0.269 517 P C -0.162 176.994 177.300 -0.239 0.000 1.217 517 P CA 1.207 64.020 63.100 -0.478 0.000 0.783 517 P CB 0.626 31.980 31.700 -0.578 0.000 0.898 518 G N -0.052 108.750 108.800 0.003 0.000 2.603 518 G HA2 -0.016 3.944 3.960 0.000 0.000 0.686 518 G HA3 -0.016 3.944 3.960 0.000 0.000 0.686 518 G C -0.651 174.354 174.900 0.174 0.000 1.286 518 G CA -0.770 44.385 45.100 0.092 0.000 0.871 518 G HN 0.482 nan 8.290 nan 0.000 0.568 519 S N -0.550 115.196 115.700 0.078 0.000 2.632 519 S HA 0.653 5.123 4.470 0.000 0.000 0.271 519 S C 1.343 175.759 174.600 -0.306 0.000 1.260 519 S CA 1.272 59.444 58.200 -0.045 0.000 1.010 519 S CB 1.236 64.397 63.200 -0.066 0.000 0.965 519 S HN 2.623 nan 8.310 nan 0.000 0.534 520 G N 0.501 109.116 108.800 -0.308 0.000 2.160 520 G HA2 -0.224 3.736 3.960 0.000 0.000 0.244 520 G HA3 -0.224 3.736 3.960 0.000 0.000 0.244 520 G C 0.002 174.484 174.900 -0.697 0.000 1.022 520 G CA -0.002 44.813 45.100 -0.474 0.000 0.741 520 G HN 0.569 nan 8.290 nan 0.000 0.508 521 F N 0.797 120.731 119.950 -0.027 0.000 2.735 521 F HA 0.301 4.828 4.527 0.000 0.000 0.308 521 F C 1.376 177.236 175.800 0.099 0.000 1.112 521 F CA -0.134 57.849 58.000 -0.027 0.000 1.235 521 F CB 0.452 39.175 39.000 -0.461 0.000 1.027 521 F HN 0.037 nan 8.300 nan 0.000 0.528 522 T N 2.700 117.362 114.554 0.179 0.000 2.916 522 T HA 0.111 4.461 4.350 0.000 0.000 0.303 522 T C 0.976 175.809 174.700 0.223 0.000 1.025 522 T CA 0.301 62.509 62.100 0.180 0.000 1.142 522 T CB 0.345 69.269 68.868 0.094 0.000 0.947 522 T HN 0.521 nan 8.240 nan 0.000 0.544 523 N N -0.151 118.688 118.700 0.231 0.000 1.973 523 N HA -0.056 4.684 4.740 0.000 0.000 0.219 523 N C -1.013 174.590 175.510 0.156 0.000 1.447 523 N CA -0.386 52.785 53.050 0.201 0.000 0.825 523 N CB 0.367 39.021 38.487 0.278 0.000 1.096 523 N HN 0.433 nan 8.380 nan 0.000 0.595 524 T N 2.057 116.699 114.554 0.146 0.000 2.809 524 T HA 0.461 4.811 4.350 0.000 0.000 0.284 524 T C -0.791 173.946 174.700 0.062 0.000 0.992 524 T CA -0.432 61.731 62.100 0.105 0.000 0.957 524 T CB 1.814 70.760 68.868 0.129 0.000 0.942 524 T HN 0.154 nan 8.240 nan 0.000 0.439 525 M N 4.055 123.678 119.600 0.039 0.000 2.190 525 M HA 0.517 4.997 4.480 0.000 0.000 0.312 525 M C -1.342 174.959 176.300 0.001 0.000 0.990 525 M CA -0.475 54.834 55.300 0.014 0.000 0.927 525 M CB 1.299 33.905 32.600 0.010 0.000 1.571 525 M HN 0.592 nan 8.290 nan 0.000 0.427 526 R N 2.910 123.402 120.500 -0.013 0.000 2.628 526 R HA 0.618 4.958 4.340 0.000 0.000 0.288 526 R C -1.203 175.073 176.300 -0.041 0.000 0.980 526 R CA -0.858 55.229 56.100 -0.022 0.000 0.891 526 R CB 2.649 32.937 30.300 -0.021 0.000 1.188 526 R HN 0.482 nan 8.270 nan 0.000 0.450 527 V N 4.281 124.169 119.914 -0.042 0.000 2.334 527 V HA 0.238 4.358 4.120 0.000 0.000 0.267 527 V C -0.093 175.964 176.094 -0.062 0.000 1.040 527 V CA -0.442 61.823 62.300 -0.058 0.000 0.866 527 V CB 1.120 32.914 31.823 -0.049 0.000 1.019 527 V HN 0.443 nan 8.190 nan 0.000 0.468 528 V N 7.649 127.514 119.914 -0.082 0.000 2.715 528 V HA 0.586 4.706 4.120 0.000 0.000 0.310 528 V C -2.219 173.810 176.094 -0.108 0.000 1.054 528 V CA -1.956 60.294 62.300 -0.083 0.000 0.928 528 V CB 2.399 34.172 31.823 -0.083 0.000 1.007 528 V HN 0.643 nan 8.190 nan 0.000 0.437 529 P HA 0.349 nan 4.420 nan 0.000 0.284 529 P C -0.777 176.458 177.300 -0.109 0.000 1.258 529 P CA -0.432 62.611 63.100 -0.095 0.000 0.824 529 P CB 1.613 33.278 31.700 -0.059 0.000 1.038 530 V N 4.269 124.108 119.914 -0.126 0.000 2.508 530 V HA 0.111 4.231 4.120 0.000 0.000 0.281 530 V C -1.629 174.448 176.094 -0.028 0.000 1.041 530 V CA -1.058 61.178 62.300 -0.105 0.000 1.016 530 V CB -0.073 31.690 31.823 -0.099 0.000 0.984 530 V HN 0.603 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 0.007 0.000 0.800 531 P CB 0.000 31.710 31.700 0.016 0.000 0.726