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 1vg9_1_E DATA FIRST_RESID 3 DATA SEQUENCE DNLPSDFDVI VIGTGLPESI IAAACSRSGQ RVLHVDSRSY YGGNWASFSF DATA SEQUENCE SGLLSWLKEY QXXXXXXXXX XMWQEQILEN EEAIPLSSKD KTIQHVEVFC DATA SEQUENCE YASQDXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXNRI TYSQIIKEGR RFNIDLVSKL LYSRGLLIDL LIKSNVSRYA DATA SEQUENCE EFKNITRILA FREGTVEQVP CSRADVFNSK QLTMVEKRML MKFLTFCVEY DATA SEQUENCE EEHPDEYRAY EGTTFSEYLK TQKLTPNLQY FVLHSIAMTS ETTSCTVDGL DATA SEQUENCE KATKKFLQCL GRYGNTPFLF PLYGQGELPQ CFCRMCAVFG GIYCLRHSVQ DATA SEQUENCE CLVVDKESRK CKAVIDQFGQ RIISKHFIIE DSYLSENTCS RVQYRQISRA DATA SEQUENCE VLITDGSVLR TDADQQVSIL TVPAEEPGSF AVRVIELCSS TMTCMKGTYL DATA SEQUENCE VHLTCMSSKT AREDLERVVQ KLFTPYTEIE AENEQVEKPR LLWALYFNMR DATA SEQUENCE DSSDISRDCY NDLPSNVYVC SGPDSGLGND NAVKQAETLF QQICPNEDFC DATA SEQUENCE PAPPNPEDIV LD 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.309 176.300 0.015 0.000 2.045 3 D CA 0.000 54.005 54.000 0.009 0.000 0.868 3 D CB 0.000 40.801 40.800 0.002 0.000 0.688 4 N N 1.229 119.936 118.700 0.013 0.000 2.525 4 N HA 0.202 4.942 4.740 -0.000 0.000 0.271 4 N C -0.476 175.060 175.510 0.043 0.000 1.194 4 N CA -0.342 52.721 53.050 0.021 0.000 0.964 4 N CB 0.837 39.333 38.487 0.014 0.000 1.126 4 N HN 0.205 nan 8.380 nan 0.000 0.452 5 L N 4.975 126.242 121.223 0.073 0.000 2.513 5 L HA 0.258 4.598 4.340 -0.000 0.000 0.272 5 L C -2.117 174.818 176.870 0.108 0.000 1.187 5 L CA -0.807 54.108 54.840 0.125 0.000 0.895 5 L CB -0.000 42.162 42.059 0.172 0.000 1.147 5 L HN 0.488 nan 8.230 nan 0.000 0.483 6 P HA 0.051 nan 4.420 nan 0.000 0.266 6 P C -0.115 177.167 177.300 -0.029 0.000 1.193 6 P CA 0.222 63.262 63.100 -0.099 0.000 0.770 6 P CB 0.539 31.994 31.700 -0.409 0.000 0.836 7 S N 0.110 115.774 115.700 -0.060 0.000 2.605 7 S HA 0.084 4.554 4.470 -0.000 0.000 0.217 7 S C 0.040 174.643 174.600 0.005 0.000 0.958 7 S CA 0.141 58.354 58.200 0.022 0.000 0.919 7 S CB -0.804 62.411 63.200 0.025 0.000 0.780 7 S HN 0.722 nan 8.310 nan 0.000 0.507 8 D N -1.040 119.265 120.400 -0.158 0.000 2.803 8 D HA 0.587 5.227 4.640 -0.000 0.000 0.218 8 D C -0.949 175.106 176.300 -0.408 0.000 1.245 8 D CA -0.662 53.265 54.000 -0.121 0.000 0.821 8 D CB 0.682 41.428 40.800 -0.090 0.000 1.626 8 D HN -0.048 nan 8.370 nan 0.000 0.487 9 F N -0.102 119.813 119.950 -0.058 0.000 2.754 9 F HA 0.370 4.896 4.527 -0.000 0.000 0.320 9 F C 0.500 176.242 175.800 -0.097 0.000 1.156 9 F CA -0.840 57.115 58.000 -0.074 0.000 0.950 9 F CB 1.701 40.642 39.000 -0.097 0.000 1.388 9 F HN 0.257 nan 8.300 nan 0.000 0.485 10 D N -0.212 120.274 120.400 0.144 0.000 2.262 10 D HA 0.172 4.812 4.640 -0.000 0.000 0.212 10 D C -0.231 176.084 176.300 0.024 0.000 0.964 10 D CA 1.321 55.357 54.000 0.060 0.000 0.875 10 D CB 0.671 41.524 40.800 0.087 0.000 0.996 10 D HN 0.011 nan 8.370 nan 0.000 0.497 11 V N 1.247 121.162 119.914 0.002 0.000 2.760 11 V HA 0.428 4.548 4.120 -0.000 0.000 0.309 11 V C -0.458 175.497 176.094 -0.232 0.000 1.077 11 V CA -0.749 61.489 62.300 -0.104 0.000 0.910 11 V CB 2.967 34.752 31.823 -0.064 0.000 1.008 11 V HN -0.107 nan 8.190 nan 0.000 0.424 12 I N 3.716 124.094 120.570 -0.321 0.000 2.466 12 I HA 0.552 4.722 4.170 -0.000 0.000 0.289 12 I C -0.973 175.018 176.117 -0.210 0.000 1.026 12 I CA -0.795 60.312 61.300 -0.320 0.000 1.078 12 I CB 2.232 40.056 38.000 -0.292 0.000 1.249 12 I HN 0.300 nan 8.210 nan 0.000 0.429 13 V N 7.378 127.153 119.914 -0.231 0.000 2.448 13 V HA 0.471 4.591 4.120 -0.000 0.000 0.295 13 V C -0.072 175.992 176.094 -0.051 0.000 1.025 13 V CA -0.491 61.703 62.300 -0.176 0.000 0.859 13 V CB 2.007 33.565 31.823 -0.441 0.000 0.988 13 V HN 0.466 nan 8.190 nan 0.000 0.431 14 I N 4.415 124.940 120.570 -0.075 0.000 2.359 14 I HA 0.757 4.927 4.170 -0.000 0.000 0.284 14 I C 0.562 176.542 176.117 -0.227 0.000 1.018 14 I CA -0.100 61.066 61.300 -0.223 0.000 1.173 14 I CB 1.391 39.173 38.000 -0.363 0.000 1.326 14 I HN 0.891 nan 8.210 nan 0.000 0.462 15 G N 3.125 111.866 108.800 -0.099 0.000 2.841 15 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.684 15 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.684 15 G C -0.125 174.937 174.900 0.269 0.000 1.273 15 G CA -0.382 44.813 45.100 0.158 0.000 0.811 15 G HN 0.656 nan 8.290 nan 0.000 0.631 16 T N -0.076 114.613 114.554 0.226 0.000 3.258 16 T HA 0.608 4.958 4.350 -0.000 0.000 0.263 16 T C 1.250 176.088 174.700 0.230 0.000 0.983 16 T CA 0.792 63.020 62.100 0.214 0.000 0.907 16 T CB 0.638 69.622 68.868 0.194 0.000 1.096 16 T HN 1.672 nan 8.240 nan 0.000 0.556 17 G N 0.970 109.903 108.800 0.222 0.000 2.634 17 G HA2 0.427 4.387 3.960 -0.000 0.000 0.255 17 G HA3 0.427 4.387 3.960 -0.000 0.000 0.255 17 G C 0.840 175.542 174.900 -0.329 0.000 1.205 17 G CA -0.689 44.462 45.100 0.085 0.000 0.884 17 G HN 0.288 nan 8.290 nan 0.000 0.549 18 L N 1.491 122.057 121.223 -1.096 0.000 1.990 18 L HA -0.039 4.301 4.340 -0.000 0.000 0.213 18 L C 0.081 176.590 176.870 -0.602 0.000 1.072 18 L CA 2.394 56.670 54.840 -0.939 0.000 0.755 18 L CB -1.021 40.101 42.059 -1.561 0.000 0.889 18 L HN 0.392 nan 8.230 nan 0.000 0.432 19 P HA -0.174 nan 4.420 nan 0.000 0.214 19 P C 1.326 178.536 177.300 -0.150 0.000 1.163 19 P CA 1.730 64.679 63.100 -0.252 0.000 0.889 19 P CB -0.044 31.601 31.700 -0.091 0.000 0.790 20 E N -0.127 120.031 120.200 -0.070 0.000 2.085 20 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 20 E C 2.165 178.754 176.600 -0.018 0.000 0.994 20 E CA 1.924 58.319 56.400 -0.008 0.000 0.801 20 E CB -0.883 28.895 29.700 0.130 0.000 0.743 20 E HN 0.338 nan 8.360 nan 0.000 0.453 21 S N 0.274 116.010 115.700 0.060 0.000 2.406 21 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 21 S C 2.072 176.688 174.600 0.026 0.000 1.020 21 S CA 0.547 58.856 58.200 0.182 0.000 0.965 21 S CB -0.349 62.993 63.200 0.238 0.000 0.798 21 S HN 0.181 nan 8.310 nan 0.000 0.488 22 I N 0.814 121.260 120.570 -0.207 0.000 2.202 22 I HA -0.071 4.099 4.170 -0.000 0.000 0.242 22 I C 2.459 178.483 176.117 -0.155 0.000 1.091 22 I CA 1.127 62.210 61.300 -0.362 0.000 1.368 22 I CB -0.329 37.321 38.000 -0.583 0.000 1.058 22 I HN 0.307 nan 8.210 nan 0.000 0.410 23 I N 1.085 121.599 120.570 -0.093 0.000 2.394 23 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 23 I C 2.426 178.502 176.117 -0.069 0.000 1.136 23 I CA 1.432 62.716 61.300 -0.027 0.000 1.425 23 I CB -0.382 37.607 38.000 -0.018 0.000 1.079 23 I HN 0.120 nan 8.210 nan 0.000 0.425 24 A N 0.476 123.220 122.820 -0.126 0.000 1.898 24 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 24 A C 2.507 180.062 177.584 -0.048 0.000 1.181 24 A CA 1.599 53.538 52.037 -0.163 0.000 0.620 24 A CB -1.245 17.542 19.000 -0.354 0.000 0.819 24 A HN 0.516 nan 8.150 nan 0.000 0.442 25 A N -0.004 122.817 122.820 0.002 0.000 1.877 25 A HA 0.158 4.478 4.320 -0.000 0.000 0.216 25 A C 2.524 180.017 177.584 -0.151 0.000 1.186 25 A CA 2.136 54.182 52.037 0.016 0.000 0.620 25 A CB -1.086 17.994 19.000 0.132 0.000 0.822 25 A HN 1.033 nan 8.150 nan 0.000 0.443 26 A N -0.815 121.840 122.820 -0.274 0.000 1.865 26 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 26 A C 2.349 179.826 177.584 -0.178 0.000 1.191 26 A CA 1.786 53.512 52.037 -0.519 0.000 0.623 26 A CB -1.409 17.094 19.000 -0.829 0.000 0.826 26 A HN 0.609 nan 8.150 nan 0.000 0.444 27 C N -1.353 117.971 119.300 0.041 0.000 2.413 27 C HA -0.083 4.377 4.460 -0.000 0.000 0.276 27 C C 3.314 178.331 174.990 0.046 0.000 1.236 27 C CA 1.477 60.578 59.018 0.137 0.000 1.735 27 C CB -1.194 26.572 27.740 0.043 0.000 2.031 27 C HN 0.684 nan 8.230 nan 0.000 0.474 28 S N 0.142 115.843 115.700 0.002 0.000 2.348 28 S HA -0.200 4.270 4.470 -0.000 0.000 0.221 28 S C 2.100 176.669 174.600 -0.051 0.000 1.033 28 S CA 1.838 60.060 58.200 0.036 0.000 1.010 28 S CB -0.365 62.896 63.200 0.101 0.000 0.891 28 S HN 0.550 nan 8.310 nan 0.000 0.442 29 R N 1.606 121.944 120.500 -0.269 0.000 2.117 29 R HA -0.066 4.274 4.340 -0.000 0.000 0.243 29 R C 2.367 178.464 176.300 -0.338 0.000 1.143 29 R CA 2.369 58.075 56.100 -0.657 0.000 0.968 29 R CB -0.992 28.881 30.300 -0.710 0.000 0.863 29 R HN 0.524 nan 8.270 nan 0.000 0.444 30 S N -1.855 113.774 115.700 -0.119 0.000 2.515 30 S HA 0.115 4.585 4.470 -0.000 0.000 0.231 30 S C 1.322 175.937 174.600 0.026 0.000 0.987 30 S CA 0.759 58.968 58.200 0.015 0.000 0.936 30 S CB 0.126 63.452 63.200 0.209 0.000 0.766 30 S HN 0.667 nan 8.310 nan 0.000 0.528 31 G N -0.153 108.665 108.800 0.031 0.000 2.192 31 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.193 31 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.193 31 G C -0.276 174.661 174.900 0.062 0.000 0.999 31 G CA -0.311 44.825 45.100 0.060 0.000 0.659 31 G HN 0.473 nan 8.290 nan 0.000 0.503 32 Q N 0.668 120.504 119.800 0.059 0.000 2.288 32 Q HA 0.363 4.703 4.340 -0.000 0.000 0.254 32 Q C 0.581 176.632 176.000 0.085 0.000 0.932 32 Q CA -0.172 55.668 55.803 0.062 0.000 0.902 32 Q CB 0.870 29.636 28.738 0.046 0.000 1.203 32 Q HN 0.464 nan 8.270 nan 0.000 0.415 33 R N 1.141 121.703 120.500 0.104 0.000 2.351 33 R HA 0.239 4.579 4.340 -0.000 0.000 0.318 33 R C -0.380 176.055 176.300 0.225 0.000 1.055 33 R CA -0.115 56.088 56.100 0.172 0.000 0.968 33 R CB 0.309 30.698 30.300 0.148 0.000 0.974 33 R HN 0.245 nan 8.270 nan 0.000 0.439 34 V N 5.134 125.137 119.914 0.149 0.000 2.483 34 V HA 0.331 4.451 4.120 -0.000 0.000 0.295 34 V C -0.541 175.366 176.094 -0.311 0.000 1.035 34 V CA -0.932 61.333 62.300 -0.058 0.000 0.896 34 V CB 1.756 33.521 31.823 -0.097 0.000 0.986 34 V HN 0.469 nan 8.190 nan 0.000 0.447 35 L N 4.250 125.050 121.223 -0.705 0.000 2.325 35 L HA 0.568 4.908 4.340 -0.000 0.000 0.281 35 L C -0.677 175.849 176.870 -0.573 0.000 1.004 35 L CA 0.046 54.278 54.840 -1.014 0.000 0.823 35 L CB 1.226 42.228 42.059 -1.762 0.000 1.236 35 L HN 0.780 nan 8.230 nan 0.000 0.415 36 H N 4.891 123.553 119.070 -0.681 0.000 2.800 36 H HA 0.683 5.239 4.556 -0.000 0.000 0.322 36 H C -0.982 174.090 175.328 -0.426 0.000 0.979 36 H CA -0.841 54.859 56.048 -0.580 0.000 1.277 36 H CB 1.453 30.683 29.762 -0.886 0.000 1.484 36 H HN 0.630 nan 8.280 nan 0.000 0.512 37 V N 1.735 121.568 119.914 -0.136 0.000 3.166 37 V HA 0.639 4.758 4.120 -0.000 0.000 0.317 37 V C -0.703 175.308 176.094 -0.138 0.000 1.136 37 V CA -0.729 61.463 62.300 -0.180 0.000 1.035 37 V CB 2.256 33.939 31.823 -0.233 0.000 1.110 37 V HN 0.795 nan 8.190 nan 0.000 0.450 38 D N -0.361 119.979 120.400 -0.099 0.000 2.654 38 D HA 0.370 5.010 4.640 -0.000 0.000 0.231 38 D C 0.122 176.434 176.300 0.020 0.000 1.239 38 D CA -0.260 53.716 54.000 -0.040 0.000 0.790 38 D CB 2.634 43.389 40.800 -0.075 0.000 1.480 38 D HN 0.511 nan 8.370 nan 0.000 0.442 39 S N 0.543 116.324 115.700 0.135 0.000 2.501 39 S HA 0.099 4.569 4.470 -0.000 0.000 0.220 39 S C 0.920 175.510 174.600 -0.017 0.000 0.997 39 S CA -0.029 58.232 58.200 0.101 0.000 0.919 39 S CB 0.245 63.571 63.200 0.210 0.000 0.778 39 S HN 0.276 nan 8.310 nan 0.000 0.523 40 R N 1.678 122.110 120.500 -0.113 0.000 2.652 40 R HA 0.231 4.571 4.340 -0.000 0.000 0.271 40 R C 1.357 177.448 176.300 -0.347 0.000 1.129 40 R CA 0.096 55.987 56.100 -0.347 0.000 1.200 40 R CB -0.239 29.605 30.300 -0.760 0.000 1.146 40 R HN 0.303 nan 8.270 nan 0.000 0.581 41 S N -1.198 114.274 115.700 -0.380 0.000 2.556 41 S HA 0.092 4.562 4.470 -0.000 0.000 0.216 41 S C 0.001 174.534 174.600 -0.112 0.000 0.970 41 S CA -0.328 57.778 58.200 -0.155 0.000 0.912 41 S CB -0.260 62.947 63.200 0.013 0.000 0.790 41 S HN 0.550 nan 8.310 nan 0.000 0.504 42 Y N -1.894 118.378 120.300 -0.047 0.000 2.609 42 Y HA 0.790 5.340 4.550 -0.000 0.000 0.342 42 Y C -0.889 174.931 175.900 -0.134 0.000 1.058 42 Y CA -2.738 55.315 58.100 -0.079 0.000 1.055 42 Y CB 0.128 38.588 38.460 0.000 0.000 1.292 42 Y HN -0.062 nan 8.280 nan 0.000 0.476 43 Y N 0.484 120.903 120.300 0.199 0.000 2.316 43 Y HA 0.508 5.058 4.550 -0.000 0.000 0.324 43 Y C 1.342 177.364 175.900 0.203 0.000 1.267 43 Y CA 1.071 59.240 58.100 0.114 0.000 1.311 43 Y CB 1.413 39.878 38.460 0.008 0.000 1.267 43 Y HN 1.021 nan 8.280 nan 0.000 0.516 44 G N -0.270 108.748 108.800 0.362 0.000 2.339 44 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.209 44 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.209 44 G C 0.873 176.012 174.900 0.398 0.000 1.015 44 G CA 0.169 45.462 45.100 0.323 0.000 0.635 44 G HN 1.694 nan 8.290 nan 0.000 0.499 45 G N 1.011 110.056 108.800 0.409 0.000 2.596 45 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.304 45 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.304 45 G C 0.684 175.820 174.900 0.393 0.000 1.189 45 G CA 1.043 46.389 45.100 0.411 0.000 0.986 45 G HN 1.272 nan 8.290 nan 0.000 0.548 46 N N 0.768 119.670 118.700 0.337 0.000 2.461 46 N HA 0.110 4.850 4.740 -0.000 0.000 0.188 46 N C 1.116 176.611 175.510 -0.024 0.000 1.134 46 N CA 0.779 53.911 53.050 0.137 0.000 0.878 46 N CB -0.135 38.374 38.487 0.037 0.000 0.972 46 N HN 0.553 nan 8.380 nan 0.000 0.456 47 W N 0.581 121.929 121.300 0.079 0.000 3.127 47 W HA 0.493 5.153 4.660 -0.000 0.000 0.344 47 W C 0.849 177.348 176.519 -0.033 0.000 1.151 47 W CA -0.594 56.773 57.345 0.036 0.000 1.765 47 W CB -0.169 29.328 29.460 0.062 0.000 1.085 47 W HN -0.131 nan 8.180 nan 0.000 0.596 48 A N 1.067 123.939 122.820 0.086 0.000 2.327 48 A HA 0.540 4.860 4.320 -0.000 0.000 0.255 48 A C 0.600 177.952 177.584 -0.387 0.000 1.099 48 A CA 0.236 52.154 52.037 -0.199 0.000 0.801 48 A CB 0.129 18.879 19.000 -0.416 0.000 1.062 48 A HN 0.113 nan 8.150 nan 0.000 0.496 49 S N -0.956 114.420 115.700 -0.539 0.000 2.599 49 S HA 0.873 5.343 4.470 -0.000 0.000 0.294 49 S C -0.889 173.312 174.600 -0.665 0.000 1.094 49 S CA -0.584 57.385 58.200 -0.385 0.000 0.931 49 S CB 1.094 64.227 63.200 -0.112 0.000 1.093 49 S HN 0.506 nan 8.310 nan 0.000 0.488 50 F N 0.782 120.657 119.950 -0.125 0.000 2.603 50 F HA 0.646 5.173 4.527 -0.000 0.000 0.317 50 F C 0.874 176.666 175.800 -0.014 0.000 1.066 50 F CA -0.732 57.188 58.000 -0.133 0.000 0.941 50 F CB 2.192 41.066 39.000 -0.210 0.000 1.291 50 F HN 0.862 nan 8.300 nan 0.000 0.472 51 S N 0.703 116.519 115.700 0.194 0.000 2.626 51 S HA 0.153 4.623 4.470 -0.000 0.000 0.257 51 S C 0.772 175.462 174.600 0.150 0.000 1.288 51 S CA -0.325 57.981 58.200 0.177 0.000 0.980 51 S CB 0.361 63.638 63.200 0.128 0.000 0.975 51 S HN 0.598 nan 8.310 nan 0.000 0.577 52 F N 1.824 121.738 119.950 -0.059 0.000 2.146 52 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 52 F C 2.805 178.494 175.800 -0.186 0.000 1.096 52 F CA 1.932 59.771 58.000 -0.268 0.000 1.275 52 F CB -0.959 37.714 39.000 -0.545 0.000 1.008 52 F HN 0.752 nan 8.300 nan 0.000 0.480 53 S N -0.441 115.204 115.700 -0.092 0.000 2.382 53 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 53 S C 2.394 176.917 174.600 -0.129 0.000 1.027 53 S CA 1.025 59.144 58.200 -0.135 0.000 0.991 53 S CB -1.564 61.619 63.200 -0.028 0.000 0.823 53 S HN 0.416 nan 8.310 nan 0.000 0.469 54 G N 1.606 110.381 108.800 -0.042 0.000 2.408 54 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.217 54 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.217 54 G C 1.353 176.123 174.900 -0.215 0.000 1.150 54 G CA 0.859 45.965 45.100 0.010 0.000 0.776 54 G HN 0.458 nan 8.290 nan 0.000 0.542 55 L N 0.622 121.695 121.223 -0.250 0.000 2.017 55 L HA 0.108 4.448 4.340 -0.000 0.000 0.208 55 L C 2.719 179.442 176.870 -0.244 0.000 1.073 55 L CA 1.346 55.972 54.840 -0.356 0.000 0.745 55 L CB -0.551 41.375 42.059 -0.222 0.000 0.894 55 L HN 0.195 nan 8.230 nan 0.000 0.432 56 L N -1.222 119.795 121.223 -0.343 0.000 2.042 56 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 56 L C 2.463 179.242 176.870 -0.152 0.000 1.076 56 L CA 1.452 56.147 54.840 -0.242 0.000 0.749 56 L CB -0.748 41.125 42.059 -0.311 0.000 0.893 56 L HN 0.254 nan 8.230 nan 0.000 0.432 57 S N -1.075 114.537 115.700 -0.146 0.000 2.368 57 S HA -0.224 4.246 4.470 -0.000 0.000 0.224 57 S C 1.505 176.038 174.600 -0.112 0.000 1.029 57 S CA 1.276 59.416 58.200 -0.101 0.000 0.988 57 S CB -0.424 62.749 63.200 -0.044 0.000 0.838 57 S HN 0.573 nan 8.310 nan 0.000 0.462 58 W N 2.584 123.655 121.300 -0.380 0.000 2.338 58 W HA -0.085 4.575 4.660 -0.000 0.000 0.304 58 W C 1.591 177.982 176.519 -0.213 0.000 1.212 58 W CA 1.030 58.133 57.345 -0.403 0.000 1.264 58 W CB -0.558 28.328 29.460 -0.956 0.000 1.142 58 W HN 0.180 nan 8.180 nan 0.000 0.512 59 L N 0.915 122.000 121.223 -0.230 0.000 2.012 59 L HA -0.331 4.009 4.340 -0.000 0.000 0.210 59 L C 2.797 179.471 176.870 -0.326 0.000 1.073 59 L CA 1.702 56.352 54.840 -0.317 0.000 0.748 59 L CB -1.111 40.890 42.059 -0.096 0.000 0.891 59 L HN -0.091 nan 8.230 nan 0.000 0.431 60 K N 0.283 120.534 120.400 -0.248 0.000 2.030 60 K HA -0.342 3.978 4.320 -0.000 0.000 0.222 60 K C 1.824 178.236 176.600 -0.313 0.000 1.056 60 K CA 2.344 58.495 56.287 -0.226 0.000 0.957 60 K CB -0.848 31.544 32.500 -0.180 0.000 0.727 60 K HN 0.425 nan 8.250 nan 0.000 0.452 61 E N 0.241 120.171 120.200 -0.449 0.000 2.136 61 E HA -0.236 4.114 4.350 -0.000 0.000 0.208 61 E C 1.050 177.228 176.600 -0.703 0.000 1.035 61 E CA 1.694 57.709 56.400 -0.642 0.000 0.838 61 E CB -0.197 28.932 29.700 -0.951 0.000 0.748 61 E HN 0.524 nan 8.360 nan 0.000 0.459 62 Y N 0.378 120.425 120.300 -0.421 0.000 2.645 62 Y HA 0.307 4.857 4.550 -0.000 0.000 0.307 62 Y C 0.575 176.309 175.900 -0.276 0.000 1.151 62 Y CA -0.459 57.418 58.100 -0.372 0.000 1.291 62 Y CB 0.406 38.555 38.460 -0.518 0.000 1.135 62 Y HN 0.003 nan 8.280 nan 0.000 0.523 75 W N -0.060 121.240 121.300 -0.000 0.000 2.576 75 W HA 0.170 4.830 4.660 -0.000 0.000 0.236 75 W C 1.131 177.653 176.519 0.005 0.000 0.989 75 W CA 0.270 57.618 57.345 0.005 0.000 1.254 75 W CB -0.642 28.817 29.460 -0.000 0.000 0.857 75 W HN 0.061 nan 8.180 nan 0.000 0.662 76 Q N 2.803 122.241 119.800 -0.602 0.000 2.152 76 Q HA -0.262 4.078 4.340 -0.000 0.000 0.206 76 Q C 1.591 177.525 176.000 -0.110 0.000 0.985 76 Q CA 2.499 58.023 55.803 -0.465 0.000 0.863 76 Q CB -1.192 27.154 28.738 -0.654 0.000 0.904 76 Q HN 0.726 nan 8.270 nan 0.000 0.422 77 E N 0.346 120.490 120.200 -0.093 0.000 2.482 77 E HA -0.104 4.246 4.350 -0.000 0.000 0.196 77 E C 1.404 178.025 176.600 0.035 0.000 1.047 77 E CA 0.369 56.754 56.400 -0.026 0.000 0.869 77 E CB 0.077 29.757 29.700 -0.034 0.000 0.836 77 E HN 0.227 nan 8.360 nan 0.000 0.520 78 Q N 0.344 120.198 119.800 0.091 0.000 2.396 78 Q HA 0.144 4.484 4.340 -0.000 0.000 0.209 78 Q C 0.501 176.574 176.000 0.122 0.000 0.906 78 Q CA 0.072 55.945 55.803 0.117 0.000 0.927 78 Q CB 0.551 29.386 28.738 0.162 0.000 1.069 78 Q HN 0.330 nan 8.270 nan 0.000 0.523 79 I N 2.613 123.270 120.570 0.145 0.000 2.587 79 I HA 0.010 4.180 4.170 -0.000 0.000 0.284 79 I C 0.938 177.101 176.117 0.077 0.000 1.134 79 I CA 0.193 61.570 61.300 0.129 0.000 1.410 79 I CB -0.411 37.688 38.000 0.166 0.000 1.392 79 I HN -0.005 nan 8.210 nan 0.000 0.545 80 L N 5.493 126.753 121.223 0.061 0.000 2.744 80 L HA 0.244 4.584 4.340 -0.000 0.000 0.218 80 L C 0.577 177.468 176.870 0.034 0.000 1.190 80 L CA -0.968 53.898 54.840 0.043 0.000 0.869 80 L CB 0.195 42.277 42.059 0.038 0.000 1.652 80 L HN 0.444 nan 8.230 nan 0.000 0.519 81 E N 0.619 120.834 120.200 0.026 0.000 2.413 81 E HA 0.015 4.365 4.350 -0.000 0.000 0.263 81 E C -0.126 176.486 176.600 0.019 0.000 1.015 81 E CA 0.077 56.489 56.400 0.020 0.000 0.916 81 E CB -0.085 29.625 29.700 0.016 0.000 0.947 81 E HN 0.409 nan 8.360 nan 0.000 0.440 82 N N 1.186 119.896 118.700 0.017 0.000 2.714 82 N HA -0.202 4.538 4.740 -0.000 0.000 0.250 82 N C -1.039 174.479 175.510 0.013 0.000 1.117 82 N CA 1.229 54.287 53.050 0.013 0.000 0.719 82 N CB -0.882 37.611 38.487 0.010 0.000 1.081 82 N HN 0.623 nan 8.380 nan 0.000 0.557 83 E N 0.121 120.333 120.200 0.020 0.000 2.392 83 E HA 0.555 4.905 4.350 -0.000 0.000 0.269 83 E C -0.331 176.285 176.600 0.027 0.000 0.924 83 E CA -0.882 55.529 56.400 0.017 0.000 0.784 83 E CB 1.890 31.603 29.700 0.022 0.000 1.292 83 E HN 0.304 nan 8.360 nan 0.000 0.447 84 E N -0.209 120.001 120.200 0.018 0.000 2.408 84 E HA 0.756 5.106 4.350 -0.000 0.000 0.275 84 E C -1.477 175.129 176.600 0.011 0.000 0.935 84 E CA -1.298 55.121 56.400 0.032 0.000 0.775 84 E CB 1.855 31.566 29.700 0.018 0.000 1.277 84 E HN 0.430 nan 8.360 nan 0.000 0.455 85 A N 1.877 124.716 122.820 0.032 0.000 2.337 85 A HA 0.684 5.004 4.320 -0.000 0.000 0.331 85 A C -0.636 176.877 177.584 -0.118 0.000 1.137 85 A CA -0.901 51.092 52.037 -0.074 0.000 0.807 85 A CB 0.683 19.610 19.000 -0.121 0.000 1.250 85 A HN 0.613 nan 8.150 nan 0.000 0.468 86 I N 2.692 123.146 120.570 -0.193 0.000 2.428 86 I HA 0.250 4.420 4.170 -0.000 0.000 0.279 86 I C -2.403 173.569 176.117 -0.241 0.000 1.040 86 I CA -1.953 59.250 61.300 -0.162 0.000 1.171 86 I CB 1.732 39.651 38.000 -0.134 0.000 1.312 86 I HN 0.385 nan 8.210 nan 0.000 0.470 87 P HA 0.097 nan 4.420 nan 0.000 0.267 87 P C -0.451 176.749 177.300 -0.166 0.000 1.200 87 P CA 0.156 63.071 63.100 -0.308 0.000 0.772 87 P CB 0.700 32.303 31.700 -0.161 0.000 0.855 88 L N 0.893 122.021 121.223 -0.159 0.000 2.365 88 L HA 0.384 4.723 4.340 -0.000 0.000 0.267 88 L C 1.037 177.909 176.870 0.003 0.000 1.033 88 L CA -0.811 54.001 54.840 -0.047 0.000 0.802 88 L CB 1.337 43.380 42.059 -0.026 0.000 1.267 88 L HN 0.366 nan 8.230 nan 0.000 0.457 89 S N -0.372 115.363 115.700 0.058 0.000 2.579 89 S HA 0.072 4.542 4.470 -0.000 0.000 0.275 89 S C 0.743 175.369 174.600 0.042 0.000 1.345 89 S CA 0.028 58.256 58.200 0.046 0.000 1.031 89 S CB 0.760 63.984 63.200 0.039 0.000 0.892 89 S HN 0.690 nan 8.310 nan 0.000 0.529 90 S N 1.521 117.232 115.700 0.019 0.000 2.666 90 S HA 0.394 4.864 4.470 -0.000 0.000 0.239 90 S C -0.176 174.415 174.600 -0.016 0.000 1.031 90 S CA -0.571 57.636 58.200 0.011 0.000 1.015 90 S CB 0.112 63.321 63.200 0.016 0.000 0.981 90 S HN 0.596 nan 8.310 nan 0.000 0.547 91 K N 2.149 122.532 120.400 -0.028 0.000 2.535 91 K HA 0.318 4.638 4.320 -0.000 0.000 0.250 91 K C -2.054 174.514 176.600 -0.053 0.000 0.948 91 K CA -0.322 55.936 56.287 -0.049 0.000 0.796 91 K CB 1.700 34.175 32.500 -0.041 0.000 1.216 91 K HN 0.098 nan 8.250 nan 0.000 0.432 92 D N 3.268 123.631 120.400 -0.061 0.000 2.350 92 D HA 0.151 4.791 4.640 -0.000 0.000 0.249 92 D C -0.653 175.689 176.300 0.070 0.000 1.119 92 D CA 0.225 54.214 54.000 -0.018 0.000 0.886 92 D CB 0.850 41.672 40.800 0.036 0.000 1.195 92 D HN 0.538 nan 8.370 nan 0.000 0.437 93 K N 2.211 122.634 120.400 0.038 0.000 3.165 93 K HA 0.082 4.402 4.320 -0.000 0.000 0.206 93 K C 0.768 177.342 176.600 -0.044 0.000 1.123 93 K CA -0.104 56.202 56.287 0.031 0.000 0.978 93 K CB 0.872 33.371 32.500 -0.002 0.000 0.749 93 K HN 0.409 nan 8.250 nan 0.000 0.454 94 T N -2.328 112.191 114.554 -0.058 0.000 3.060 94 T HA 0.236 4.586 4.350 -0.000 0.000 0.249 94 T C 0.701 175.287 174.700 -0.191 0.000 1.079 94 T CA -0.026 61.995 62.100 -0.131 0.000 1.013 94 T CB 0.179 68.996 68.868 -0.085 0.000 0.975 94 T HN -0.076 nan 8.240 nan 0.000 0.518 95 I N 1.740 122.070 120.570 -0.400 0.000 2.474 95 I HA 0.573 4.743 4.170 -0.000 0.000 0.294 95 I C -0.263 175.650 176.117 -0.340 0.000 1.005 95 I CA -0.704 60.284 61.300 -0.521 0.000 1.113 95 I CB 1.684 38.810 38.000 -1.457 0.000 1.289 95 I HN 0.308 nan 8.210 nan 0.000 0.436 96 Q N 3.574 123.259 119.800 -0.192 0.000 2.565 96 Q HA 0.384 4.724 4.340 -0.000 0.000 0.294 96 Q C -0.960 174.932 176.000 -0.179 0.000 1.005 96 Q CA -0.862 54.761 55.803 -0.300 0.000 0.771 96 Q CB 2.079 30.486 28.738 -0.551 0.000 1.486 96 Q HN 0.575 nan 8.270 nan 0.000 0.422 97 H N -1.647 117.451 119.070 0.048 0.000 2.692 97 H HA -0.130 4.426 4.556 -0.000 0.000 0.316 97 H C -0.711 174.680 175.328 0.104 0.000 1.176 97 H CA 0.341 56.427 56.048 0.062 0.000 1.142 97 H CB -2.233 27.568 29.762 0.066 0.000 1.475 97 H HN 0.190 nan 8.280 nan 0.000 0.423 98 V N 1.484 121.479 119.914 0.135 0.000 2.521 98 V HA 0.081 4.201 4.120 -0.000 0.000 0.286 98 V C 0.969 177.107 176.094 0.073 0.000 1.034 98 V CA 0.438 62.818 62.300 0.132 0.000 1.045 98 V CB 1.505 33.330 31.823 0.003 0.000 0.974 98 V HN 0.288 nan 8.190 nan 0.000 0.480 99 E N 3.925 124.190 120.200 0.109 0.000 2.246 99 E HA 0.567 4.917 4.350 -0.000 0.000 0.266 99 E C -1.520 174.940 176.600 -0.233 0.000 0.880 99 E CA -0.532 55.828 56.400 -0.066 0.000 0.762 99 E CB 2.671 32.461 29.700 0.151 0.000 1.180 99 E HN 0.402 nan 8.360 nan 0.000 0.416 100 V N 3.246 122.765 119.914 -0.659 0.000 2.604 100 V HA 0.550 4.670 4.120 -0.000 0.000 0.305 100 V C -0.977 174.434 176.094 -1.139 0.000 1.043 100 V CA -0.774 61.089 62.300 -0.727 0.000 0.888 100 V CB 1.120 32.679 31.823 -0.439 0.000 0.995 100 V HN 0.506 nan 8.190 nan 0.000 0.429 101 F N 2.588 122.209 119.950 -0.549 0.000 2.562 101 F HA 0.482 5.009 4.527 -0.000 0.000 0.319 101 F C -0.093 175.229 175.800 -0.797 0.000 1.154 101 F CA -0.491 57.134 58.000 -0.625 0.000 0.931 101 F CB 1.619 40.213 39.000 -0.676 0.000 1.198 101 F HN 0.503 nan 8.300 nan 0.000 0.444 102 C N 4.806 123.860 119.300 -0.409 0.000 2.225 102 C HA 0.433 4.893 4.460 -0.000 0.000 0.323 102 C C 0.811 175.695 174.990 -0.176 0.000 1.164 102 C CA -0.454 58.465 59.018 -0.164 0.000 1.565 102 C CB -1.373 26.297 27.740 -0.117 0.000 2.124 102 C HN 0.903 nan 8.230 nan 0.000 0.461 103 Y N 3.423 123.823 120.300 0.167 0.000 2.420 103 Y HA 0.258 4.808 4.550 -0.000 0.000 0.292 103 Y C 1.900 177.902 175.900 0.170 0.000 1.119 103 Y CA 0.892 59.100 58.100 0.180 0.000 1.229 103 Y CB -0.775 37.810 38.460 0.209 0.000 1.026 103 Y HN 0.767 nan 8.280 nan 0.000 0.554 104 A N 0.390 123.306 122.820 0.161 0.000 2.483 104 A HA 0.229 4.549 4.320 -0.000 0.000 0.238 104 A C 0.707 178.275 177.584 -0.026 0.000 1.070 104 A CA -0.238 51.685 52.037 -0.190 0.000 0.770 104 A CB -0.089 18.813 19.000 -0.163 0.000 1.008 104 A HN 0.213 nan 8.150 nan 0.000 0.497 105 S N 0.845 116.510 115.700 -0.057 0.000 2.560 105 S HA 0.175 4.645 4.470 -0.000 0.000 0.284 105 S C 0.157 174.798 174.600 0.068 0.000 1.327 105 S CA -0.019 58.230 58.200 0.081 0.000 1.055 105 S CB 0.333 63.614 63.200 0.134 0.000 0.868 105 S HN 0.624 nan 8.310 nan 0.000 0.506 106 Q N 3.105 122.948 119.800 0.071 0.000 2.307 106 Q HA 0.241 4.581 4.340 -0.000 0.000 0.261 106 Q C 0.286 176.343 176.000 0.095 0.000 1.051 106 Q CA 0.324 56.183 55.803 0.094 0.000 0.911 106 Q CB 0.220 28.983 28.738 0.041 0.000 1.227 106 Q HN 0.667 nan 8.270 nan 0.000 0.418 211 R N 1.666 122.232 120.500 0.110 0.000 2.309 211 R HA 0.282 4.622 4.340 -0.000 0.000 0.331 211 R C -0.279 176.056 176.300 0.059 0.000 1.116 211 R CA -0.222 55.970 56.100 0.153 0.000 0.970 211 R CB 0.481 30.899 30.300 0.197 0.000 1.024 211 R HN 0.182 nan 8.270 nan 0.000 0.472 212 I N 3.680 124.255 120.570 0.008 0.000 2.352 212 I HA 0.047 4.217 4.170 -0.000 0.000 0.290 212 I C 1.244 177.285 176.117 -0.127 0.000 1.036 212 I CA -0.075 61.196 61.300 -0.048 0.000 1.336 212 I CB 0.633 38.612 38.000 -0.033 0.000 1.407 212 I HN 0.532 nan 8.210 nan 0.000 0.497 213 T N 2.610 117.115 114.554 -0.082 0.000 2.934 213 T HA 0.226 4.576 4.350 -0.000 0.000 0.283 213 T C 1.076 175.750 174.700 -0.042 0.000 1.005 213 T CA -0.449 61.613 62.100 -0.064 0.000 1.041 213 T CB 1.241 70.105 68.868 -0.007 0.000 1.042 213 T HN 0.535 nan 8.240 nan 0.000 0.505 214 Y N 1.564 121.795 120.300 -0.115 0.000 2.256 214 Y HA -0.140 4.410 4.550 -0.000 0.000 0.288 214 Y C 2.646 178.476 175.900 -0.116 0.000 1.155 214 Y CA 1.942 59.970 58.100 -0.119 0.000 1.203 214 Y CB -0.494 37.945 38.460 -0.035 0.000 0.980 214 Y HN 0.716 nan 8.280 nan 0.000 0.530 215 S N 0.116 115.798 115.700 -0.031 0.000 2.382 215 S HA -0.250 4.220 4.470 -0.000 0.000 0.228 215 S C 1.769 176.276 174.600 -0.155 0.000 1.027 215 S CA 1.628 59.776 58.200 -0.085 0.000 0.991 215 S CB -0.264 62.936 63.200 0.001 0.000 0.823 215 S HN 0.620 nan 8.310 nan 0.000 0.469 216 Q N 0.384 120.101 119.800 -0.138 0.000 2.079 216 Q HA 0.017 4.357 4.340 -0.000 0.000 0.200 216 Q C 2.141 178.022 176.000 -0.199 0.000 0.974 216 Q CA 1.084 56.812 55.803 -0.126 0.000 0.840 216 Q CB -0.324 28.365 28.738 -0.082 0.000 0.898 216 Q HN 0.516 nan 8.270 nan 0.000 0.430 217 I N 0.658 121.019 120.570 -0.349 0.000 2.151 217 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 217 I C 2.242 177.997 176.117 -0.604 0.000 1.080 217 I CA 1.314 62.260 61.300 -0.590 0.000 1.339 217 I CB -0.343 37.032 38.000 -1.042 0.000 1.039 217 I HN 0.227 nan 8.210 nan 0.000 0.409 218 I N 0.549 120.774 120.570 -0.575 0.000 2.142 218 I HA -0.337 3.833 4.170 -0.000 0.000 0.240 218 I C 2.705 178.733 176.117 -0.149 0.000 1.078 218 I CA 1.524 62.634 61.300 -0.315 0.000 1.343 218 I CB -0.431 37.396 38.000 -0.289 0.000 1.046 218 I HN 0.216 nan 8.210 nan 0.000 0.405 219 K N 0.765 121.087 120.400 -0.130 0.000 2.074 219 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 219 K C 1.411 177.990 176.600 -0.035 0.000 1.048 219 K CA 1.514 57.763 56.287 -0.063 0.000 0.926 219 K CB 0.084 32.551 32.500 -0.056 0.000 0.713 219 K HN 0.213 nan 8.250 nan 0.000 0.444 220 E N -0.436 119.743 120.200 -0.035 0.000 2.437 220 E HA 0.026 4.376 4.350 -0.000 0.000 0.189 220 E C 1.509 178.183 176.600 0.124 0.000 1.054 220 E CA 0.277 56.694 56.400 0.029 0.000 0.874 220 E CB 0.461 30.181 29.700 0.034 0.000 1.011 220 E HN 0.500 nan 8.360 nan 0.000 0.474 221 G N 2.049 110.883 108.800 0.057 0.000 2.545 221 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.222 221 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.222 221 G C 1.612 176.651 174.900 0.232 0.000 1.126 221 G CA 0.421 45.594 45.100 0.122 0.000 0.754 221 G HN 0.163 nan 8.290 nan 0.000 0.583 222 R N -0.061 120.525 120.500 0.144 0.000 2.280 222 R HA 0.080 4.420 4.340 -0.000 0.000 0.207 222 R C 2.195 178.567 176.300 0.119 0.000 1.043 222 R CA 0.169 56.341 56.100 0.119 0.000 1.006 222 R CB -0.164 30.174 30.300 0.065 0.000 0.885 222 R HN 0.275 nan 8.270 nan 0.000 0.467 223 R N -0.375 120.194 120.500 0.115 0.000 2.299 223 R HA 0.113 4.453 4.340 -0.000 0.000 0.197 223 R C 0.102 176.328 176.300 -0.123 0.000 0.971 223 R CA 0.235 56.316 56.100 -0.030 0.000 1.030 223 R CB -0.020 30.192 30.300 -0.146 0.000 0.932 223 R HN 0.015 nan 8.270 nan 0.000 0.477 224 F N 0.696 120.650 119.950 0.007 0.000 2.399 224 F HA 0.342 4.869 4.527 -0.000 0.000 0.328 224 F C 0.723 176.568 175.800 0.076 0.000 1.084 224 F CA -0.613 57.404 58.000 0.027 0.000 1.053 224 F CB 1.021 40.032 39.000 0.018 0.000 1.209 224 F HN -0.216 nan 8.300 nan 0.000 0.502 225 N N 3.262 122.124 118.700 0.271 0.000 2.710 225 N HA 0.181 4.920 4.740 -0.000 0.000 0.244 225 N C -1.473 174.184 175.510 0.244 0.000 1.321 225 N CA -0.209 52.968 53.050 0.212 0.000 0.758 225 N CB 1.161 39.757 38.487 0.183 0.000 1.284 225 N HN 0.266 nan 8.380 nan 0.000 0.530 226 I N 1.130 121.861 120.570 0.269 0.000 2.436 226 I HA 0.130 4.300 4.170 -0.000 0.000 0.289 226 I C 0.639 176.909 176.117 0.256 0.000 1.083 226 I CA -0.115 61.371 61.300 0.310 0.000 1.372 226 I CB 0.004 38.178 38.000 0.290 0.000 1.408 226 I HN 0.134 nan 8.210 nan 0.000 0.516 227 D N 6.614 127.194 120.400 0.298 0.000 2.351 227 D HA 0.141 4.781 4.640 -0.000 0.000 0.251 227 D C 1.309 177.658 176.300 0.082 0.000 1.137 227 D CA -0.218 53.843 54.000 0.102 0.000 0.879 227 D CB 2.395 43.185 40.800 -0.015 0.000 1.181 227 D HN 0.416 nan 8.370 nan 0.000 0.448 228 L N 1.567 122.785 121.223 -0.008 0.000 2.313 228 L HA -0.001 4.339 4.340 -0.000 0.000 0.214 228 L C 0.611 177.490 176.870 0.016 0.000 1.119 228 L CA 0.678 55.524 54.840 0.010 0.000 0.809 228 L CB 0.249 42.217 42.059 -0.153 0.000 0.933 228 L HN 0.110 nan 8.230 nan 0.000 0.449 229 V N -0.436 119.424 119.914 -0.089 0.000 2.409 229 V HA 0.175 4.295 4.120 -0.000 0.000 0.291 229 V C 0.021 176.021 176.094 -0.157 0.000 1.020 229 V CA -0.353 61.852 62.300 -0.157 0.000 0.848 229 V CB 1.685 33.362 31.823 -0.244 0.000 0.990 229 V HN 0.059 nan 8.190 nan 0.000 0.430 230 S N 6.268 121.857 115.700 -0.185 0.000 2.512 230 S HA 0.573 5.043 4.470 -0.000 0.000 0.291 230 S C -0.388 174.174 174.600 -0.063 0.000 1.151 230 S CA -0.543 57.536 58.200 -0.202 0.000 1.120 230 S CB -0.245 62.801 63.200 -0.257 0.000 1.029 230 S HN 0.751 nan 8.310 nan 0.000 0.485 231 K N 2.857 123.273 120.400 0.027 0.000 2.409 231 K HA 0.711 5.031 4.320 -0.000 0.000 0.252 231 K C -1.178 175.483 176.600 0.101 0.000 1.036 231 K CA -0.901 55.414 56.287 0.047 0.000 0.871 231 K CB 1.649 34.206 32.500 0.095 0.000 1.374 231 K HN 0.417 nan 8.250 nan 0.000 0.459 232 L N 0.985 122.223 121.223 0.025 0.000 2.327 232 L HA 0.535 4.875 4.340 -0.000 0.000 0.258 232 L C -1.363 175.556 176.870 0.081 0.000 1.024 232 L CA -1.302 53.558 54.840 0.033 0.000 0.825 232 L CB 1.379 43.273 42.059 -0.276 0.000 1.386 232 L HN 0.256 nan 8.230 nan 0.000 0.417 233 L N 0.736 122.053 121.223 0.157 0.000 2.317 233 L HA 0.458 4.798 4.340 -0.000 0.000 0.281 233 L C -0.590 176.433 176.870 0.256 0.000 1.024 233 L CA -0.027 54.935 54.840 0.204 0.000 0.810 233 L CB 1.104 43.264 42.059 0.168 0.000 1.240 233 L HN 0.217 nan 8.230 nan 0.000 0.427 234 Y N 0.870 121.312 120.300 0.237 0.000 2.300 234 Y HA 0.061 4.611 4.550 -0.000 0.000 0.328 234 Y C 1.766 177.709 175.900 0.071 0.000 1.270 234 Y CA 0.471 58.668 58.100 0.162 0.000 1.352 234 Y CB 1.193 39.713 38.460 0.099 0.000 1.286 234 Y HN 0.679 nan 8.280 nan 0.000 0.536 235 S N 0.844 116.668 115.700 0.205 0.000 2.419 235 S HA -0.098 4.372 4.470 -0.000 0.000 0.235 235 S C 0.367 175.063 174.600 0.160 0.000 1.019 235 S CA 1.298 59.631 58.200 0.222 0.000 0.982 235 S CB -0.171 63.105 63.200 0.126 0.000 0.789 235 S HN 0.470 nan 8.310 nan 0.000 0.490 236 R N -1.115 119.454 120.500 0.114 0.000 2.604 236 R HA 0.624 4.963 4.340 -0.000 0.000 0.281 236 R C -0.230 176.100 176.300 0.051 0.000 1.020 236 R CA 0.054 56.186 56.100 0.053 0.000 0.899 236 R CB 2.247 32.545 30.300 -0.004 0.000 1.205 236 R HN 0.207 nan 8.270 nan 0.000 0.450 237 G N 0.789 109.613 108.800 0.040 0.000 2.316 237 G HA2 0.128 4.088 3.960 -0.000 0.000 0.296 237 G HA3 0.128 4.088 3.960 -0.000 0.000 0.296 237 G C 0.104 175.029 174.900 0.042 0.000 1.399 237 G CA -0.979 44.141 45.100 0.033 0.000 0.833 237 G HN 0.451 nan 8.290 nan 0.000 0.565 238 L N -0.243 121.002 121.223 0.036 0.000 1.971 238 L HA -0.128 4.212 4.340 -0.000 0.000 0.215 238 L C 2.900 179.808 176.870 0.063 0.000 1.072 238 L CA 1.812 56.674 54.840 0.037 0.000 0.758 238 L CB -0.553 41.518 42.059 0.020 0.000 0.889 238 L HN 0.503 nan 8.230 nan 0.000 0.433 239 L N 0.004 121.276 121.223 0.080 0.000 1.994 239 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 239 L C 2.364 179.307 176.870 0.122 0.000 1.071 239 L CA 1.595 56.499 54.840 0.107 0.000 0.745 239 L CB -0.457 41.676 42.059 0.123 0.000 0.892 239 L HN 0.122 nan 8.230 nan 0.000 0.431 240 I N -0.735 119.887 120.570 0.088 0.000 2.226 240 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 240 I C 1.876 178.006 176.117 0.021 0.000 1.100 240 I CA 1.691 63.006 61.300 0.025 0.000 1.374 240 I CB -0.237 37.759 38.000 -0.006 0.000 1.057 240 I HN 0.344 nan 8.210 nan 0.000 0.413 241 D N 0.411 120.834 120.400 0.037 0.000 2.117 241 D HA -0.196 4.444 4.640 -0.000 0.000 0.197 241 D C 1.930 178.252 176.300 0.036 0.000 0.987 241 D CA 1.121 55.137 54.000 0.027 0.000 0.829 241 D CB -0.286 40.529 40.800 0.025 0.000 0.961 241 D HN 0.284 nan 8.370 nan 0.000 0.460 242 L N 0.381 121.648 121.223 0.073 0.000 2.093 242 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 242 L C 2.056 178.982 176.870 0.093 0.000 1.085 242 L CA 1.224 56.124 54.840 0.100 0.000 0.755 242 L CB -0.445 41.711 42.059 0.160 0.000 0.904 242 L HN 0.009 nan 8.230 nan 0.000 0.435 243 L N -1.083 120.201 121.223 0.101 0.000 2.046 243 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 243 L C 2.459 179.287 176.870 -0.070 0.000 1.077 243 L CA 1.491 56.335 54.840 0.007 0.000 0.747 243 L CB -0.450 41.627 42.059 0.031 0.000 0.896 243 L HN 0.248 nan 8.230 nan 0.000 0.432 244 I N -0.317 120.225 120.570 -0.046 0.000 2.202 244 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 244 I C 2.711 178.793 176.117 -0.059 0.000 1.091 244 I CA 1.278 62.544 61.300 -0.057 0.000 1.368 244 I CB -0.295 37.683 38.000 -0.036 0.000 1.058 244 I HN 0.244 nan 8.210 nan 0.000 0.410 245 K N 1.200 121.575 120.400 -0.042 0.000 2.002 245 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 245 K C 2.246 178.799 176.600 -0.079 0.000 1.048 245 K CA 2.149 58.407 56.287 -0.048 0.000 0.930 245 K CB -0.140 32.342 32.500 -0.030 0.000 0.714 245 K HN 0.353 nan 8.250 nan 0.000 0.438 246 S N 0.215 115.856 115.700 -0.098 0.000 2.481 246 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 246 S C 0.715 175.214 174.600 -0.169 0.000 0.996 246 S CA 0.815 58.931 58.200 -0.140 0.000 0.942 246 S CB -0.237 62.876 63.200 -0.144 0.000 0.768 246 S HN 0.483 nan 8.310 nan 0.000 0.520 247 N N -0.500 118.089 118.700 -0.185 0.000 2.925 247 N HA -0.145 4.595 4.740 -0.000 0.000 0.244 247 N C 0.603 175.841 175.510 -0.454 0.000 1.000 247 N CA 0.845 53.752 53.050 -0.238 0.000 0.895 247 N CB -1.692 36.691 38.487 -0.174 0.000 1.119 247 N HN 0.438 nan 8.380 nan 0.000 0.569 248 V N 1.221 120.824 119.914 -0.517 0.000 3.078 248 V HA -0.138 3.982 4.120 -0.000 0.000 0.265 248 V C 2.100 177.804 176.094 -0.651 0.000 1.122 248 V CA 2.398 64.192 62.300 -0.842 0.000 1.141 248 V CB -0.357 30.958 31.823 -0.847 0.000 0.735 248 V HN 0.557 nan 8.190 nan 0.000 0.498 249 S N 0.291 115.775 115.700 -0.359 0.000 2.442 249 S HA -0.175 4.295 4.470 -0.000 0.000 0.236 249 S C 1.893 176.421 174.600 -0.120 0.000 1.007 249 S CA 1.109 59.230 58.200 -0.132 0.000 0.965 249 S CB -0.617 62.539 63.200 -0.074 0.000 0.773 249 S HN 0.717 nan 8.310 nan 0.000 0.504 250 R N 0.058 120.393 120.500 -0.275 0.000 2.328 250 R HA 0.080 4.420 4.340 -0.000 0.000 0.207 250 R C 0.906 177.219 176.300 0.022 0.000 1.056 250 R CA 0.998 57.013 56.100 -0.141 0.000 1.016 250 R CB -0.378 29.820 30.300 -0.170 0.000 0.872 250 R HN 0.667 nan 8.270 nan 0.000 0.471 251 Y N -0.531 119.713 120.300 -0.092 0.000 2.466 251 Y HA 0.366 4.916 4.550 -0.000 0.000 0.272 251 Y C 0.729 176.547 175.900 -0.136 0.000 1.169 251 Y CA -0.946 57.078 58.100 -0.127 0.000 1.285 251 Y CB 0.640 38.992 38.460 -0.180 0.000 1.078 251 Y HN -0.002 nan 8.280 nan 0.000 0.523 252 A N 0.420 123.248 122.820 0.014 0.000 2.604 252 A HA 0.566 4.886 4.320 -0.000 0.000 0.295 252 A C -1.234 176.250 177.584 -0.167 0.000 1.067 252 A CA -0.886 51.065 52.037 -0.145 0.000 0.683 252 A CB 1.457 20.254 19.000 -0.339 0.000 1.281 252 A HN 0.192 nan 8.150 nan 0.000 0.407 253 E N 0.005 120.042 120.200 -0.272 0.000 2.221 253 E HA 0.704 5.054 4.350 -0.000 0.000 0.268 253 E C -1.553 174.802 176.600 -0.408 0.000 0.933 253 E CA -0.314 55.999 56.400 -0.145 0.000 0.809 253 E CB 1.881 31.547 29.700 -0.056 0.000 1.190 253 E HN 0.472 nan 8.360 nan 0.000 0.406 254 F N 0.525 120.426 119.950 -0.082 0.000 2.593 254 F HA 0.493 5.020 4.527 -0.000 0.000 0.320 254 F C 0.219 175.986 175.800 -0.055 0.000 1.060 254 F CA -0.965 56.981 58.000 -0.090 0.000 0.940 254 F CB 1.792 40.702 39.000 -0.150 0.000 1.268 254 F HN 0.004 nan 8.300 nan 0.000 0.475 255 K N 1.326 121.839 120.400 0.187 0.000 2.378 255 K HA 0.353 4.673 4.320 -0.000 0.000 0.252 255 K C -1.115 175.580 176.600 0.158 0.000 0.931 255 K CA -0.928 55.441 56.287 0.137 0.000 0.794 255 K CB 1.574 34.146 32.500 0.121 0.000 1.181 255 K HN 0.572 nan 8.250 nan 0.000 0.425 256 N N 2.120 120.890 118.700 0.117 0.000 2.525 256 N HA 0.126 4.866 4.740 -0.000 0.000 0.271 256 N C -0.186 175.401 175.510 0.129 0.000 1.194 256 N CA -0.179 52.944 53.050 0.122 0.000 0.964 256 N CB 0.538 39.090 38.487 0.110 0.000 1.126 256 N HN 0.342 nan 8.380 nan 0.000 0.452 257 I N 0.895 121.555 120.570 0.150 0.000 2.529 257 I HA -0.001 4.169 4.170 -0.000 0.000 0.284 257 I C 1.833 178.019 176.117 0.115 0.000 1.082 257 I CA 0.295 61.679 61.300 0.141 0.000 1.406 257 I CB 0.742 38.866 38.000 0.207 0.000 1.405 257 I HN 0.597 nan 8.210 nan 0.000 0.548 258 T N 3.509 118.119 114.554 0.094 0.000 3.023 258 T HA 0.374 4.724 4.350 -0.000 0.000 0.253 258 T C 0.640 175.388 174.700 0.081 0.000 1.038 258 T CA -0.195 61.954 62.100 0.082 0.000 0.962 258 T CB 0.150 69.061 68.868 0.071 0.000 1.018 258 T HN 0.493 nan 8.240 nan 0.000 0.521 259 R N 0.666 121.218 120.500 0.087 0.000 2.548 259 R HA 0.543 4.883 4.340 -0.000 0.000 0.280 259 R C -1.528 174.832 176.300 0.099 0.000 1.061 259 R CA -0.862 55.286 56.100 0.080 0.000 0.915 259 R CB 1.721 32.055 30.300 0.056 0.000 1.210 259 R HN 0.141 nan 8.270 nan 0.000 0.442 260 I N 4.728 125.362 120.570 0.107 0.000 2.336 260 I HA 0.397 4.566 4.170 -0.000 0.000 0.292 260 I C 0.007 176.148 176.117 0.039 0.000 0.991 260 I CA -0.525 60.851 61.300 0.126 0.000 1.227 260 I CB 1.151 39.272 38.000 0.201 0.000 1.366 260 I HN 0.477 nan 8.210 nan 0.000 0.466 261 L N 5.043 126.285 121.223 0.032 0.000 2.333 261 L HA 0.874 5.214 4.340 -0.000 0.000 0.269 261 L C 0.046 176.921 176.870 0.008 0.000 1.010 261 L CA -0.741 54.102 54.840 0.006 0.000 0.818 261 L CB 2.045 44.121 42.059 0.029 0.000 1.306 261 L HN 0.662 nan 8.230 nan 0.000 0.430 262 A N 1.121 123.951 122.820 0.017 0.000 2.384 262 A HA 0.766 5.086 4.320 -0.000 0.000 0.312 262 A C -1.519 176.248 177.584 0.304 0.000 1.113 262 A CA -0.311 51.801 52.037 0.125 0.000 0.779 262 A CB 1.478 20.491 19.000 0.022 0.000 1.307 262 A HN 0.534 nan 8.150 nan 0.000 0.436 263 F N 1.531 121.610 119.950 0.216 0.000 2.564 263 F HA 0.487 5.014 4.527 -0.000 0.000 0.361 263 F C 0.208 176.164 175.800 0.260 0.000 1.161 263 F CA -0.292 57.812 58.000 0.173 0.000 1.198 263 F CB 0.421 39.478 39.000 0.094 0.000 1.424 263 F HN 0.647 nan 8.300 nan 0.000 0.517 264 R N 2.416 122.865 120.500 -0.086 0.000 2.732 264 R HA 0.397 4.737 4.340 -0.000 0.000 0.278 264 R C 0.261 176.292 176.300 -0.448 0.000 0.976 264 R CA -0.141 55.743 56.100 -0.360 0.000 0.963 264 R CB 0.983 31.024 30.300 -0.431 0.000 1.150 264 R HN 0.711 nan 8.270 nan 0.000 0.478 265 E N 1.259 121.204 120.200 -0.424 0.000 3.170 265 E HA -0.242 4.108 4.350 -0.000 0.000 0.284 265 E C 0.307 176.673 176.600 -0.390 0.000 0.967 265 E CA 0.671 56.876 56.400 -0.326 0.000 0.919 265 E CB -1.444 28.104 29.700 -0.254 0.000 1.469 265 E HN 1.111 nan 8.360 nan 0.000 0.444 266 G N 0.489 108.889 108.800 -0.667 0.000 2.198 266 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.257 266 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.257 266 G C 0.052 174.413 174.900 -0.898 0.000 1.042 266 G CA 1.024 45.587 45.100 -0.895 0.000 0.791 266 G HN 0.825 nan 8.290 nan 0.000 0.502 267 T N -2.313 111.665 114.554 -0.960 0.000 2.933 267 T HA 0.629 4.979 4.350 -0.000 0.000 0.305 267 T C -0.056 174.573 174.700 -0.117 0.000 1.092 267 T CA 0.014 61.901 62.100 -0.354 0.000 1.008 267 T CB 2.203 70.963 68.868 -0.181 0.000 1.102 267 T HN 0.920 nan 8.240 nan 0.000 0.469 268 V N 3.568 123.556 119.914 0.124 0.000 2.649 268 V HA 0.659 4.779 4.120 -0.000 0.000 0.292 268 V C 0.364 176.507 176.094 0.080 0.000 1.055 268 V CA -0.180 62.222 62.300 0.171 0.000 1.023 268 V CB 1.079 32.976 31.823 0.123 0.000 0.992 268 V HN 1.039 nan 8.190 nan 0.000 0.480 269 E N 2.329 122.580 120.200 0.084 0.000 2.400 269 E HA 0.266 4.616 4.350 -0.000 0.000 0.285 269 E C -1.210 175.406 176.600 0.028 0.000 1.005 269 E CA -0.685 55.753 56.400 0.064 0.000 0.816 269 E CB 1.734 31.498 29.700 0.106 0.000 1.220 269 E HN 0.744 nan 8.360 nan 0.000 0.426 270 Q N 2.558 122.370 119.800 0.021 0.000 2.314 270 Q HA 0.340 4.680 4.340 -0.000 0.000 0.258 270 Q C -1.164 174.808 176.000 -0.046 0.000 0.954 270 Q CA -0.347 55.453 55.803 -0.004 0.000 0.890 270 Q CB 1.469 30.220 28.738 0.021 0.000 1.210 270 Q HN 0.346 nan 8.270 nan 0.000 0.410 271 V N 6.658 126.490 119.914 -0.138 0.000 2.347 271 V HA 0.481 4.601 4.120 -0.000 0.000 0.280 271 V C -2.473 173.588 176.094 -0.055 0.000 1.021 271 V CA -2.324 59.820 62.300 -0.260 0.000 0.847 271 V CB 1.390 32.793 31.823 -0.699 0.000 0.990 271 V HN 0.812 nan 8.190 nan 0.000 0.444 272 P HA 0.307 nan 4.420 nan 0.000 0.271 272 P C -0.126 177.238 177.300 0.108 0.000 1.226 272 P CA -0.106 63.046 63.100 0.086 0.000 0.765 272 P CB 0.994 32.756 31.700 0.103 0.000 0.835 273 C N 0.897 120.275 119.300 0.129 0.000 2.374 273 C HA 0.080 4.540 4.460 -0.000 0.000 0.412 273 C C 1.077 176.169 174.990 0.170 0.000 1.421 273 C CA 0.464 59.587 59.018 0.175 0.000 2.484 273 C CB -0.549 27.358 27.740 0.278 0.000 2.598 273 C HN 0.591 nan 8.230 nan 0.000 0.584 274 S N 1.691 117.476 115.700 0.142 0.000 2.585 274 S HA 0.217 4.687 4.470 -0.000 0.000 0.273 274 S C 0.799 175.478 174.600 0.132 0.000 1.339 274 S CA -0.211 58.060 58.200 0.119 0.000 1.028 274 S CB 0.421 63.673 63.200 0.087 0.000 0.906 274 S HN 0.414 nan 8.310 nan 0.000 0.528 275 R N 1.223 121.800 120.500 0.128 0.000 2.105 275 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 275 R C 2.475 178.889 176.300 0.191 0.000 1.135 275 R CA 1.456 57.654 56.100 0.164 0.000 0.967 275 R CB -1.135 29.241 30.300 0.126 0.000 0.861 275 R HN 0.856 nan 8.270 nan 0.000 0.442 276 A N 1.752 124.651 122.820 0.132 0.000 1.835 276 A HA -0.208 4.112 4.320 -0.000 0.000 0.215 276 A C 1.604 179.282 177.584 0.157 0.000 1.199 276 A CA 1.952 54.067 52.037 0.130 0.000 0.615 276 A CB -0.662 18.387 19.000 0.081 0.000 0.838 276 A HN 0.184 nan 8.150 nan 0.000 0.444 277 D N -0.432 120.042 120.400 0.124 0.000 2.203 277 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 277 D C 1.808 178.178 176.300 0.117 0.000 0.997 277 D CA 1.396 55.462 54.000 0.111 0.000 0.863 277 D CB -0.332 40.526 40.800 0.098 0.000 0.928 277 D HN 0.213 nan 8.370 nan 0.000 0.458 278 V N -0.366 119.632 119.914 0.141 0.000 2.453 278 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 278 V C 1.300 177.420 176.094 0.044 0.000 1.048 278 V CA 0.986 63.346 62.300 0.101 0.000 1.049 278 V CB -0.358 31.540 31.823 0.125 0.000 0.672 278 V HN 0.143 nan 8.190 nan 0.000 0.457 279 F N 0.818 120.801 119.950 0.055 0.000 2.777 279 F HA 0.311 4.838 4.527 -0.000 0.000 0.291 279 F C 1.268 177.092 175.800 0.040 0.000 1.187 279 F CA 0.086 58.113 58.000 0.045 0.000 1.406 279 F CB -0.122 38.903 39.000 0.041 0.000 0.982 279 F HN 0.147 nan 8.300 nan 0.000 0.509 280 N N -0.147 118.639 118.700 0.144 0.000 2.307 280 N HA 0.112 4.852 4.740 -0.000 0.000 0.248 280 N C -0.815 174.732 175.510 0.062 0.000 1.322 280 N CA 0.249 53.364 53.050 0.107 0.000 0.861 280 N CB 0.861 39.410 38.487 0.102 0.000 1.303 280 N HN 0.169 nan 8.380 nan 0.000 0.498 281 S N -0.780 114.938 115.700 0.031 0.000 2.611 281 S HA 0.381 4.851 4.470 -0.000 0.000 0.270 281 S C -0.884 173.698 174.600 -0.029 0.000 1.131 281 S CA -0.846 57.362 58.200 0.013 0.000 0.826 281 S CB 2.042 65.259 63.200 0.029 0.000 1.095 281 S HN -0.013 nan 8.310 nan 0.000 0.461 282 K N 0.501 120.887 120.400 -0.023 0.000 3.202 282 K HA 0.267 4.587 4.320 -0.000 0.000 0.206 282 K C 0.233 176.819 176.600 -0.023 0.000 1.142 282 K CA -0.198 56.062 56.287 -0.045 0.000 0.979 282 K CB 0.625 33.100 32.500 -0.041 0.000 0.863 282 K HN 0.494 nan 8.250 nan 0.000 0.479 283 Q N 0.515 120.314 119.800 -0.002 0.000 2.437 283 Q HA -0.049 4.291 4.340 -0.000 0.000 0.210 283 Q C -0.268 175.733 176.000 0.002 0.000 0.972 283 Q CA 1.075 56.890 55.803 0.021 0.000 0.903 283 Q CB 0.053 28.833 28.738 0.070 0.000 0.967 283 Q HN 0.296 nan 8.270 nan 0.000 0.486 284 L N -3.605 117.605 121.223 -0.022 0.000 2.479 284 L HA 0.531 4.871 4.340 -0.000 0.000 0.255 284 L C 0.129 176.964 176.870 -0.058 0.000 1.026 284 L CA -1.211 53.604 54.840 -0.043 0.000 0.842 284 L CB 0.480 42.514 42.059 -0.043 0.000 1.444 284 L HN -0.172 nan 8.230 nan 0.000 0.409 285 T N -2.520 111.998 114.554 -0.059 0.000 2.680 285 T HA 0.222 4.572 4.350 -0.000 0.000 0.314 285 T C 0.867 175.531 174.700 -0.061 0.000 1.045 285 T CA -0.120 61.946 62.100 -0.057 0.000 1.025 285 T CB 0.288 69.125 68.868 -0.052 0.000 1.000 285 T HN 0.542 nan 8.240 nan 0.000 0.535 286 M N 0.562 120.130 119.600 -0.052 0.000 2.541 286 M HA 0.192 4.672 4.480 -0.000 0.000 0.252 286 M C 2.119 178.403 176.300 -0.026 0.000 1.125 286 M CA 0.214 55.486 55.300 -0.047 0.000 1.091 286 M CB -1.019 31.561 32.600 -0.033 0.000 1.420 286 M HN 0.666 nan 8.290 nan 0.000 0.486 287 V N -0.197 119.699 119.914 -0.030 0.000 2.323 287 V HA -0.214 3.906 4.120 -0.000 0.000 0.244 287 V C 1.908 177.984 176.094 -0.030 0.000 1.041 287 V CA 1.945 64.229 62.300 -0.026 0.000 1.025 287 V CB -0.053 31.749 31.823 -0.035 0.000 0.656 287 V HN 0.476 nan 8.190 nan 0.000 0.451 288 E N -0.059 120.115 120.200 -0.043 0.000 2.028 288 E HA -0.240 4.110 4.350 -0.000 0.000 0.190 288 E C 2.246 178.835 176.600 -0.018 0.000 0.984 288 E CA 1.442 57.813 56.400 -0.048 0.000 0.800 288 E CB -0.242 29.415 29.700 -0.072 0.000 0.758 288 E HN 0.586 nan 8.360 nan 0.000 0.448 289 K N 1.460 121.847 120.400 -0.021 0.000 2.034 289 K HA -0.294 4.026 4.320 -0.000 0.000 0.214 289 K C 2.304 178.928 176.600 0.039 0.000 1.051 289 K CA 2.063 58.346 56.287 -0.006 0.000 0.931 289 K CB -0.140 32.318 32.500 -0.070 0.000 0.715 289 K HN -0.079 nan 8.250 nan 0.000 0.446 290 R N 0.411 120.932 120.500 0.035 0.000 2.127 290 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 290 R C 2.065 178.412 176.300 0.079 0.000 1.134 290 R CA 2.045 58.183 56.100 0.064 0.000 0.975 290 R CB -0.221 30.106 30.300 0.046 0.000 0.865 290 R HN 0.306 nan 8.270 nan 0.000 0.447 291 M N 0.090 119.725 119.600 0.058 0.000 2.200 291 M HA -0.061 4.419 4.480 -0.000 0.000 0.265 291 M C 2.091 178.485 176.300 0.156 0.000 1.066 291 M CA 1.205 56.549 55.300 0.074 0.000 1.127 291 M CB -0.221 32.376 32.600 -0.005 0.000 1.379 291 M HN 0.183 nan 8.290 nan 0.000 0.420 292 L N 0.327 121.629 121.223 0.133 0.000 1.932 292 L HA -0.267 4.073 4.340 -0.000 0.000 0.217 292 L C 2.763 179.769 176.870 0.226 0.000 1.077 292 L CA 1.262 56.215 54.840 0.188 0.000 0.765 292 L CB -0.560 41.582 42.059 0.138 0.000 0.888 292 L HN 0.317 nan 8.230 nan 0.000 0.433 293 M N -0.096 119.613 119.600 0.183 0.000 2.151 293 M HA -0.335 4.145 4.480 -0.000 0.000 0.256 293 M C 2.209 178.624 176.300 0.192 0.000 1.072 293 M CA 2.008 57.416 55.300 0.180 0.000 1.090 293 M CB -1.561 31.144 32.600 0.175 0.000 1.294 293 M HN 0.237 nan 8.290 nan 0.000 0.415 294 K N -0.400 120.116 120.400 0.193 0.000 2.074 294 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 294 K C 2.082 178.859 176.600 0.295 0.000 1.048 294 K CA 1.623 58.034 56.287 0.207 0.000 0.926 294 K CB -0.362 32.238 32.500 0.167 0.000 0.713 294 K HN 0.230 nan 8.250 nan 0.000 0.444 295 F N 1.233 121.291 119.950 0.179 0.000 2.113 295 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 295 F C 1.796 177.799 175.800 0.338 0.000 1.103 295 F CA 1.123 59.286 58.000 0.272 0.000 1.248 295 F CB 0.041 39.150 39.000 0.181 0.000 0.999 295 F HN -0.039 nan 8.300 nan 0.000 0.475 296 L N -0.651 120.692 121.223 0.201 0.000 2.046 296 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 296 L C 2.271 179.162 176.870 0.035 0.000 1.077 296 L CA 1.750 56.634 54.840 0.073 0.000 0.747 296 L CB -1.372 40.770 42.059 0.139 0.000 0.896 296 L HN 0.109 nan 8.230 nan 0.000 0.432 297 T N 0.110 114.730 114.554 0.110 0.000 2.849 297 T HA -0.205 4.145 4.350 -0.000 0.000 0.270 297 T C 1.495 176.266 174.700 0.118 0.000 1.066 297 T CA 1.394 63.557 62.100 0.105 0.000 1.130 297 T CB -0.303 68.646 68.868 0.135 0.000 0.864 297 T HN 0.344 nan 8.240 nan 0.000 0.481 298 F N 0.920 120.870 119.950 -0.000 0.000 2.187 298 F HA 0.020 4.547 4.527 -0.000 0.000 0.295 298 F C 2.216 177.992 175.800 -0.040 0.000 1.091 298 F CA 0.044 58.056 58.000 0.021 0.000 1.308 298 F CB -0.913 38.094 39.000 0.013 0.000 1.030 298 F HN 0.101 nan 8.300 nan 0.000 0.487 299 C N 0.462 119.320 119.300 -0.737 0.000 2.422 299 C HA -0.094 4.365 4.460 -0.000 0.000 0.279 299 C C 2.739 177.536 174.990 -0.321 0.000 1.305 299 C CA 1.044 59.620 59.018 -0.736 0.000 1.757 299 C CB -1.251 26.192 27.740 -0.495 0.000 1.962 299 C HN 0.413 nan 8.230 nan 0.000 0.499 300 V N 1.758 121.553 119.914 -0.198 0.000 3.140 300 V HA -0.153 3.967 4.120 -0.000 0.000 0.269 300 V C 1.497 177.499 176.094 -0.153 0.000 1.149 300 V CA 2.136 64.369 62.300 -0.111 0.000 1.162 300 V CB -1.112 30.678 31.823 -0.054 0.000 0.756 300 V HN 0.871 nan 8.190 nan 0.000 0.523 301 E N -1.467 118.587 120.200 -0.244 0.000 3.625 301 E HA 0.032 4.382 4.350 -0.000 0.000 0.166 301 E C 1.004 177.310 176.600 -0.490 0.000 0.978 301 E CA -0.315 55.886 56.400 -0.333 0.000 1.429 301 E CB -0.697 28.853 29.700 -0.251 0.000 1.100 301 E HN 0.513 nan 8.360 nan 0.000 0.428 302 Y N 1.847 121.821 120.300 -0.543 0.000 2.193 302 Y HA -0.194 4.356 4.550 -0.000 0.000 0.285 302 Y C 1.920 177.776 175.900 -0.074 0.000 1.166 302 Y CA 1.731 59.522 58.100 -0.516 0.000 1.181 302 Y CB -0.272 37.775 38.460 -0.689 0.000 0.976 302 Y HN 0.173 nan 8.280 nan 0.000 0.520 303 E N 1.645 121.236 120.200 -1.014 0.000 2.485 303 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 303 E C 0.698 177.171 176.600 -0.212 0.000 1.098 303 E CA 0.671 56.777 56.400 -0.491 0.000 0.878 303 E CB -0.354 28.911 29.700 -0.725 0.000 0.939 303 E HN 0.819 nan 8.360 nan 0.000 0.503 304 E N 0.224 120.251 120.200 -0.289 0.000 2.364 304 E HA 0.014 4.364 4.350 -0.000 0.000 0.196 304 E C -0.096 176.499 176.600 -0.007 0.000 0.990 304 E CA 0.263 56.523 56.400 -0.233 0.000 0.886 304 E CB 0.219 29.680 29.700 -0.399 0.000 0.866 304 E HN 0.387 nan 8.360 nan 0.000 0.493 305 H N 0.814 119.985 119.070 0.168 0.000 2.317 305 H HA 0.168 4.724 4.556 -0.000 0.000 0.231 305 H C -2.191 173.220 175.328 0.139 0.000 1.442 305 H CA -2.784 53.371 56.048 0.177 0.000 1.336 305 H CB 0.042 29.965 29.762 0.269 0.000 1.533 305 H HN 0.047 nan 8.280 nan 0.000 0.522 306 P HA -0.029 nan 4.420 nan 0.000 0.301 306 P C -0.153 176.949 177.300 -0.330 0.000 1.560 306 P CA 0.429 63.302 63.100 -0.379 0.000 0.784 306 P CB -0.328 31.262 31.700 -0.184 0.000 1.715 307 D N -2.491 117.845 120.400 -0.107 0.000 2.489 307 D HA -0.015 4.625 4.640 -0.000 0.000 0.231 307 D C 1.326 177.675 176.300 0.082 0.000 1.114 307 D CA 0.084 54.076 54.000 -0.015 0.000 0.842 307 D CB -0.235 40.586 40.800 0.035 0.000 1.133 307 D HN -0.109 nan 8.370 nan 0.000 0.506 308 E N -0.061 120.233 120.200 0.157 0.000 2.400 308 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 308 E C 0.383 177.203 176.600 0.367 0.000 1.012 308 E CA 0.500 57.059 56.400 0.266 0.000 0.875 308 E CB 0.047 29.876 29.700 0.215 0.000 0.859 308 E HN 0.709 nan 8.360 nan 0.000 0.498 309 Y N -1.749 118.694 120.300 0.239 0.000 2.707 309 Y HA 0.481 5.031 4.550 -0.000 0.000 0.249 309 Y C 1.468 177.535 175.900 0.277 0.000 1.166 309 Y CA -0.903 57.239 58.100 0.070 0.000 1.184 309 Y CB -0.075 38.305 38.460 -0.134 0.000 1.240 309 Y HN -0.242 nan 8.280 nan 0.000 0.547 310 R N 2.415 122.956 120.500 0.069 0.000 2.171 310 R HA -0.180 4.160 4.340 -0.000 0.000 0.226 310 R C 2.212 178.572 176.300 0.099 0.000 1.113 310 R CA 2.892 58.990 56.100 -0.005 0.000 0.887 310 R CB -1.065 29.238 30.300 0.005 0.000 0.830 310 R HN 0.483 nan 8.270 nan 0.000 0.432 311 A N -0.916 121.935 122.820 0.052 0.000 2.014 311 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 311 A C 1.967 179.524 177.584 -0.045 0.000 1.163 311 A CA 1.279 53.270 52.037 -0.076 0.000 0.652 311 A CB -0.724 18.137 19.000 -0.233 0.000 0.808 311 A HN 0.592 nan 8.150 nan 0.000 0.449 312 Y N 0.087 120.454 120.300 0.111 0.000 2.616 312 Y HA -0.000 4.550 4.550 -0.000 0.000 0.296 312 Y C 1.960 177.921 175.900 0.102 0.000 1.154 312 Y CA 0.604 58.778 58.100 0.124 0.000 1.325 312 Y CB -0.611 37.944 38.460 0.159 0.000 1.007 312 Y HN 0.510 nan 8.280 nan 0.000 0.542 313 E N 0.586 120.949 120.200 0.271 0.000 2.209 313 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 313 E C 2.327 179.014 176.600 0.145 0.000 0.993 313 E CA 1.091 57.622 56.400 0.218 0.000 0.819 313 E CB -0.309 29.520 29.700 0.215 0.000 0.745 313 E HN 0.578 nan 8.360 nan 0.000 0.477 314 G N -0.266 108.607 108.800 0.122 0.000 2.603 314 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.214 314 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.214 314 G C 0.898 175.858 174.900 0.101 0.000 1.140 314 G CA 0.605 45.759 45.100 0.090 0.000 0.800 314 G HN 0.214 nan 8.290 nan 0.000 0.533 315 T N -0.033 114.603 114.554 0.138 0.000 2.888 315 T HA 0.492 4.842 4.350 -0.000 0.000 0.283 315 T C 0.945 175.749 174.700 0.174 0.000 1.013 315 T CA 0.256 62.447 62.100 0.152 0.000 0.938 315 T CB 0.894 69.873 68.868 0.185 0.000 1.298 315 T HN 0.220 nan 8.240 nan 0.000 0.580 316 T N -0.456 114.207 114.554 0.181 0.000 2.862 316 T HA 0.377 4.726 4.350 -0.000 0.000 0.276 316 T C 0.819 175.692 174.700 0.289 0.000 0.974 316 T CA -0.608 61.611 62.100 0.199 0.000 0.966 316 T CB 0.490 69.454 68.868 0.161 0.000 1.072 316 T HN 0.459 nan 8.240 nan 0.000 0.538 317 F N 0.644 120.663 119.950 0.115 0.000 2.118 317 F HA 0.068 4.595 4.527 -0.000 0.000 0.293 317 F C 2.882 178.780 175.800 0.163 0.000 1.102 317 F CA 1.714 59.809 58.000 0.157 0.000 1.247 317 F CB -0.966 38.087 39.000 0.088 0.000 1.017 317 F HN 0.661 nan 8.300 nan 0.000 0.475 318 S N 0.042 115.760 115.700 0.029 0.000 2.380 318 S HA -0.244 4.226 4.470 -0.000 0.000 0.229 318 S C 2.113 176.652 174.600 -0.102 0.000 1.043 318 S CA 1.769 59.898 58.200 -0.119 0.000 1.038 318 S CB -0.544 62.654 63.200 -0.004 0.000 0.872 318 S HN 0.489 nan 8.310 nan 0.000 0.456 319 E N -0.305 119.912 120.200 0.029 0.000 2.038 319 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 319 E C 1.800 178.452 176.600 0.088 0.000 1.000 319 E CA 1.505 57.949 56.400 0.074 0.000 0.803 319 E CB -0.624 29.163 29.700 0.146 0.000 0.750 319 E HN 0.795 nan 8.360 nan 0.000 0.448 320 Y N 1.621 121.916 120.300 -0.008 0.000 2.049 320 Y HA -0.259 4.291 4.550 -0.000 0.000 0.277 320 Y C 2.342 178.093 175.900 -0.247 0.000 1.143 320 Y CA 1.592 59.644 58.100 -0.080 0.000 1.115 320 Y CB -0.842 37.587 38.460 -0.051 0.000 0.975 320 Y HN 0.029 nan 8.280 nan 0.000 0.487 321 L N 1.394 122.193 121.223 -0.706 0.000 2.197 321 L HA -0.263 4.077 4.340 -0.000 0.000 0.215 321 L C 2.400 178.936 176.870 -0.558 0.000 1.095 321 L CA 1.908 56.258 54.840 -0.816 0.000 0.764 321 L CB -0.867 40.704 42.059 -0.814 0.000 0.897 321 L HN 0.319 nan 8.230 nan 0.000 0.436 322 K N -1.020 119.163 120.400 -0.361 0.000 2.063 322 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 322 K C 1.014 177.489 176.600 -0.208 0.000 1.048 322 K CA 1.665 57.817 56.287 -0.224 0.000 0.928 322 K CB -0.215 32.219 32.500 -0.111 0.000 0.713 322 K HN 0.581 nan 8.250 nan 0.000 0.442 323 T N 0.159 114.594 114.554 -0.199 0.000 3.341 323 T HA 0.185 4.535 4.350 -0.000 0.000 0.234 323 T C -0.146 174.412 174.700 -0.237 0.000 0.890 323 T CA -0.581 61.446 62.100 -0.123 0.000 0.952 323 T CB 0.251 69.174 68.868 0.091 0.000 1.146 323 T HN -0.051 nan 8.240 nan 0.000 0.591 324 Q N 0.699 120.298 119.800 -0.335 0.000 2.496 324 Q HA 0.411 4.751 4.340 -0.000 0.000 0.286 324 Q C -0.416 175.419 176.000 -0.275 0.000 1.103 324 Q CA -0.910 54.676 55.803 -0.360 0.000 0.813 324 Q CB 1.915 30.303 28.738 -0.584 0.000 1.444 324 Q HN 0.383 nan 8.270 nan 0.000 0.443 325 K N 1.434 121.700 120.400 -0.223 0.000 2.243 325 K HA 0.339 4.659 4.320 -0.000 0.000 0.232 325 K C -0.567 175.903 176.600 -0.216 0.000 1.237 325 K CA 0.193 56.382 56.287 -0.163 0.000 1.161 325 K CB -0.404 32.042 32.500 -0.091 0.000 1.505 325 K HN 0.254 nan 8.250 nan 0.000 0.271 326 L N 0.320 121.387 121.223 -0.260 0.000 2.513 326 L HA 0.195 4.535 4.340 -0.000 0.000 0.261 326 L C 0.459 177.195 176.870 -0.225 0.000 0.945 326 L CA -0.948 53.723 54.840 -0.281 0.000 0.848 326 L CB 2.256 44.038 42.059 -0.462 0.000 1.334 326 L HN 0.329 nan 8.230 nan 0.000 0.407 327 T N -1.787 112.655 114.554 -0.187 0.000 2.726 327 T HA 0.242 4.592 4.350 -0.000 0.000 0.294 327 T C -1.703 172.893 174.700 -0.172 0.000 1.013 327 T CA -1.025 60.977 62.100 -0.162 0.000 0.996 327 T CB 0.799 69.577 68.868 -0.149 0.000 1.016 327 T HN 0.522 nan 8.240 nan 0.000 0.529 328 P HA -0.014 nan 4.420 nan 0.000 0.225 328 P C 1.158 178.384 177.300 -0.125 0.000 1.156 328 P CA 0.831 63.857 63.100 -0.124 0.000 0.787 328 P CB -0.066 31.571 31.700 -0.105 0.000 0.802 329 N N 0.561 119.146 118.700 -0.191 0.000 2.022 329 N HA -0.105 4.635 4.740 -0.000 0.000 0.195 329 N C 2.041 177.337 175.510 -0.357 0.000 1.063 329 N CA 1.228 54.101 53.050 -0.296 0.000 0.851 329 N CB -0.614 37.681 38.487 -0.319 0.000 1.050 329 N HN -0.081 nan 8.380 nan 0.000 0.425 330 L N 0.237 121.271 121.223 -0.315 0.000 2.127 330 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 330 L C 2.569 179.367 176.870 -0.120 0.000 1.089 330 L CA 1.104 55.806 54.840 -0.230 0.000 0.757 330 L CB -0.590 41.380 42.059 -0.148 0.000 0.899 330 L HN 0.455 nan 8.230 nan 0.000 0.434 331 Q N -1.174 118.531 119.800 -0.158 0.000 2.226 331 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 331 Q C 2.041 178.005 176.000 -0.060 0.000 0.975 331 Q CA 1.623 57.327 55.803 -0.165 0.000 0.866 331 Q CB -0.103 28.517 28.738 -0.196 0.000 0.915 331 Q HN 0.461 nan 8.270 nan 0.000 0.440 332 Y N -0.094 120.140 120.300 -0.110 0.000 2.130 332 Y HA -0.194 4.356 4.550 -0.000 0.000 0.287 332 Y C 1.688 177.725 175.900 0.228 0.000 1.124 332 Y CA 1.495 59.620 58.100 0.042 0.000 1.118 332 Y CB -0.428 38.078 38.460 0.076 0.000 0.994 332 Y HN 0.064 nan 8.280 nan 0.000 0.497 333 F N -1.239 118.793 119.950 0.138 0.000 2.091 333 F HA -0.340 4.187 4.527 -0.000 0.000 0.299 333 F C 2.321 178.111 175.800 -0.016 0.000 1.103 333 F CA 1.123 59.161 58.000 0.064 0.000 1.228 333 F CB -0.632 38.416 39.000 0.081 0.000 0.984 333 F HN -0.065 nan 8.300 nan 0.000 0.477 334 V N 0.239 120.276 119.914 0.205 0.000 2.237 334 V HA -0.316 3.804 4.120 -0.000 0.000 0.245 334 V C 2.163 178.332 176.094 0.125 0.000 1.046 334 V CA 1.779 64.173 62.300 0.157 0.000 1.007 334 V CB -0.714 31.246 31.823 0.230 0.000 0.638 334 V HN 0.269 nan 8.190 nan 0.000 0.445 335 L N -0.755 120.479 121.223 0.018 0.000 2.083 335 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 335 L C 2.350 179.130 176.870 -0.150 0.000 1.083 335 L CA 2.081 56.883 54.840 -0.065 0.000 0.752 335 L CB -0.679 41.161 42.059 -0.365 0.000 0.899 335 L HN 0.423 nan 8.230 nan 0.000 0.433 336 H N -2.495 116.544 119.070 -0.052 0.000 2.557 336 H HA 0.306 4.861 4.556 -0.000 0.000 0.281 336 H C 2.078 177.383 175.328 -0.038 0.000 0.990 336 H CA 1.031 57.017 56.048 -0.104 0.000 1.278 336 H CB 0.304 29.849 29.762 -0.361 0.000 1.451 336 H HN 0.310 nan 8.280 nan 0.000 0.516 337 S N -0.053 115.686 115.700 0.066 0.000 2.514 337 S HA 0.119 4.589 4.470 -0.000 0.000 0.223 337 S C 1.855 176.355 174.600 -0.167 0.000 1.046 337 S CA -0.083 58.120 58.200 0.005 0.000 0.914 337 S CB 0.794 63.949 63.200 -0.076 0.000 0.807 337 S HN 0.101 nan 8.310 nan 0.000 0.497 338 I N 1.631 122.027 120.570 -0.290 0.000 2.512 338 I HA 0.211 4.381 4.170 -0.000 0.000 0.247 338 I C 2.541 178.445 176.117 -0.355 0.000 1.094 338 I CA 0.934 61.767 61.300 -0.780 0.000 1.427 338 I CB -1.613 36.105 38.000 -0.470 0.000 1.149 338 I HN 0.210 nan 8.210 nan 0.000 0.438 339 A N 0.257 123.042 122.820 -0.057 0.000 1.855 339 A HA -0.029 4.291 4.320 -0.000 0.000 0.213 339 A C 1.652 179.314 177.584 0.131 0.000 1.195 339 A CA 1.190 53.250 52.037 0.038 0.000 0.610 339 A CB -0.312 18.726 19.000 0.062 0.000 0.837 339 A HN 0.447 nan 8.150 nan 0.000 0.444 340 M N -0.238 119.449 119.600 0.145 0.000 2.872 340 M HA -0.160 4.320 4.480 -0.000 0.000 0.200 340 M C 0.041 176.446 176.300 0.176 0.000 0.582 340 M CA 0.730 56.143 55.300 0.187 0.000 0.706 340 M CB -2.521 30.228 32.600 0.248 0.000 2.560 340 M HN 0.644 nan 8.290 nan 0.000 0.476 341 T N -3.333 111.312 114.554 0.151 0.000 2.944 341 T HA 0.483 4.833 4.350 -0.000 0.000 0.284 341 T C 0.399 175.198 174.700 0.164 0.000 1.010 341 T CA -0.513 61.668 62.100 0.134 0.000 1.025 341 T CB 1.989 70.902 68.868 0.076 0.000 1.079 341 T HN 0.211 nan 8.240 nan 0.000 0.516 342 S N 1.876 117.670 115.700 0.156 0.000 2.611 342 S HA -0.012 4.458 4.470 -0.000 0.000 0.317 342 S C 1.484 176.187 174.600 0.172 0.000 1.208 342 S CA -0.516 57.791 58.200 0.178 0.000 1.217 342 S CB -0.423 62.884 63.200 0.178 0.000 1.085 342 S HN 0.785 nan 8.310 nan 0.000 0.529 343 E N 4.248 124.557 120.200 0.182 0.000 2.482 343 E HA -0.084 4.265 4.350 -0.000 0.000 0.200 343 E C 0.953 177.636 176.600 0.138 0.000 1.147 343 E CA 1.098 57.596 56.400 0.163 0.000 0.912 343 E CB -0.617 29.158 29.700 0.126 0.000 0.938 343 E HN 0.786 nan 8.360 nan 0.000 0.519 344 T N -4.044 110.592 114.554 0.136 0.000 3.313 344 T HA 0.054 4.404 4.350 -0.000 0.000 0.266 344 T C 1.340 176.109 174.700 0.116 0.000 0.987 344 T CA 0.385 62.553 62.100 0.113 0.000 1.086 344 T CB -0.436 68.487 68.868 0.092 0.000 1.159 344 T HN 0.007 nan 8.240 nan 0.000 0.450 345 T N 3.444 118.075 114.554 0.129 0.000 3.393 345 T HA 0.449 4.799 4.350 -0.000 0.000 0.248 345 T C 0.201 174.965 174.700 0.106 0.000 0.992 345 T CA 0.098 62.269 62.100 0.119 0.000 0.929 345 T CB -0.642 68.311 68.868 0.140 0.000 1.065 345 T HN 0.714 nan 8.240 nan 0.000 0.597 346 S N 0.544 116.312 115.700 0.112 0.000 2.668 346 S HA 0.473 4.943 4.470 -0.000 0.000 0.277 346 S C 0.189 174.858 174.600 0.116 0.000 1.170 346 S CA -1.277 56.980 58.200 0.095 0.000 0.994 346 S CB 0.306 63.559 63.200 0.089 0.000 1.051 346 S HN 0.493 nan 8.310 nan 0.000 0.484 347 C N 2.641 121.990 119.300 0.082 0.000 2.649 347 C HA 0.534 4.994 4.460 -0.000 0.000 0.377 347 C C 2.134 177.186 174.990 0.103 0.000 1.321 347 C CA 0.485 59.563 59.018 0.099 0.000 2.368 347 C CB -0.406 27.375 27.740 0.069 0.000 2.597 347 C HN 0.947 nan 8.230 nan 0.000 0.678 348 T N 1.920 116.565 114.554 0.152 0.000 2.653 348 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 348 T C 1.804 176.424 174.700 -0.134 0.000 1.035 348 T CA 2.310 64.503 62.100 0.156 0.000 1.154 348 T CB -0.419 68.487 68.868 0.063 0.000 0.862 348 T HN 0.703 nan 8.240 nan 0.000 0.441 349 V N 1.727 121.531 119.914 -0.183 0.000 2.261 349 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 349 V C 2.221 178.064 176.094 -0.419 0.000 1.047 349 V CA 2.015 64.092 62.300 -0.370 0.000 1.015 349 V CB -0.866 30.852 31.823 -0.175 0.000 0.642 349 V HN 0.425 nan 8.190 nan 0.000 0.446 350 D N 0.872 121.128 120.400 -0.240 0.000 2.172 350 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 350 D C 2.112 178.192 176.300 -0.366 0.000 0.999 350 D CA 1.657 55.525 54.000 -0.221 0.000 0.856 350 D CB -0.417 40.325 40.800 -0.096 0.000 0.934 350 D HN 0.498 nan 8.370 nan 0.000 0.453 351 G N -0.382 108.092 108.800 -0.542 0.000 2.464 351 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.217 351 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.217 351 G C 1.516 175.600 174.900 -1.361 0.000 1.138 351 G CA -0.012 44.425 45.100 -1.105 0.000 0.793 351 G HN 0.210 nan 8.290 nan 0.000 0.539 352 L N -0.193 120.347 121.223 -1.138 0.000 2.044 352 L HA 0.037 4.377 4.340 -0.000 0.000 0.205 352 L C 2.948 179.192 176.870 -1.043 0.000 1.075 352 L CA 0.928 55.087 54.840 -1.134 0.000 0.747 352 L CB -0.241 40.920 42.059 -1.497 0.000 0.903 352 L HN 0.141 nan 8.230 nan 0.000 0.435 353 K N -0.007 119.855 120.400 -0.898 0.000 2.059 353 K HA -0.259 4.061 4.320 -0.000 0.000 0.212 353 K C 2.135 178.579 176.600 -0.259 0.000 1.050 353 K CA 1.733 57.784 56.287 -0.394 0.000 0.927 353 K CB -0.338 32.028 32.500 -0.225 0.000 0.714 353 K HN 0.321 nan 8.250 nan 0.000 0.447 354 A N 0.925 123.572 122.820 -0.289 0.000 1.883 354 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 354 A C 2.288 179.826 177.584 -0.076 0.000 1.186 354 A CA 2.325 54.268 52.037 -0.156 0.000 0.624 354 A CB -1.071 17.843 19.000 -0.143 0.000 0.822 354 A HN 0.331 nan 8.150 nan 0.000 0.444 355 T N -0.337 114.113 114.554 -0.173 0.000 2.708 355 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 355 T C 1.976 176.670 174.700 -0.009 0.000 1.037 355 T CA 1.681 63.735 62.100 -0.075 0.000 1.146 355 T CB -0.227 68.564 68.868 -0.130 0.000 0.865 355 T HN 0.639 nan 8.240 nan 0.000 0.435 356 K N 1.323 121.671 120.400 -0.087 0.000 2.032 356 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 356 K C 2.377 178.977 176.600 -0.000 0.000 1.048 356 K CA 1.632 57.901 56.287 -0.029 0.000 0.927 356 K CB -0.158 32.361 32.500 0.031 0.000 0.712 356 K HN 0.214 nan 8.250 nan 0.000 0.441 357 K N -0.098 120.287 120.400 -0.025 0.000 2.009 357 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 357 K C 2.073 178.680 176.600 0.010 0.000 1.049 357 K CA 1.857 58.102 56.287 -0.070 0.000 0.929 357 K CB -0.359 32.034 32.500 -0.178 0.000 0.714 357 K HN 0.204 nan 8.250 nan 0.000 0.440 358 F N 1.616 121.550 119.950 -0.026 0.000 2.065 358 F HA -0.265 4.262 4.527 -0.000 0.000 0.298 358 F C 1.869 177.658 175.800 -0.017 0.000 1.112 358 F CA 1.648 59.675 58.000 0.044 0.000 1.212 358 F CB -0.190 38.850 39.000 0.066 0.000 0.975 358 F HN 0.003 nan 8.300 nan 0.000 0.476 359 L N -0.079 121.342 121.223 0.329 0.000 2.012 359 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 359 L C 2.506 179.403 176.870 0.045 0.000 1.073 359 L CA 1.753 56.711 54.840 0.197 0.000 0.748 359 L CB -0.987 41.148 42.059 0.128 0.000 0.891 359 L HN 0.244 nan 8.230 nan 0.000 0.431 360 Q N -1.076 118.726 119.800 0.005 0.000 2.226 360 Q HA -0.194 4.145 4.340 -0.000 0.000 0.204 360 Q C 2.246 178.205 176.000 -0.069 0.000 0.975 360 Q CA 1.462 57.243 55.803 -0.038 0.000 0.866 360 Q CB -0.276 28.433 28.738 -0.049 0.000 0.915 360 Q HN 0.566 nan 8.270 nan 0.000 0.440 361 C N 0.387 119.632 119.300 -0.092 0.000 2.576 361 C HA 0.112 4.572 4.460 -0.000 0.000 0.267 361 C C 0.707 175.595 174.990 -0.171 0.000 1.364 361 C CA -0.686 58.261 59.018 -0.118 0.000 1.723 361 C CB -1.078 26.610 27.740 -0.087 0.000 1.778 361 C HN 0.281 nan 8.230 nan 0.000 0.572 362 L N 0.709 121.839 121.223 -0.155 0.000 2.439 362 L HA 0.433 4.773 4.340 -0.000 0.000 0.269 362 L C 1.531 178.344 176.870 -0.094 0.000 1.179 362 L CA 1.821 56.584 54.840 -0.127 0.000 0.828 362 L CB -0.013 42.020 42.059 -0.043 0.000 1.106 362 L HN 0.445 nan 8.230 nan 0.000 0.467 363 G N 1.673 110.427 108.800 -0.077 0.000 2.196 363 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.268 363 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.268 363 G C 1.553 176.367 174.900 -0.143 0.000 0.975 363 G CA 0.626 45.681 45.100 -0.075 0.000 0.648 363 G HN 0.554 nan 8.290 nan 0.000 0.538 364 R N -1.261 119.106 120.500 -0.223 0.000 2.092 364 R HA -0.006 4.334 4.340 -0.000 0.000 0.231 364 R C 1.757 177.619 176.300 -0.731 0.000 1.119 364 R CA 2.132 57.935 56.100 -0.496 0.000 0.970 364 R CB -0.268 29.676 30.300 -0.592 0.000 0.864 364 R HN 0.644 nan 8.270 nan 0.000 0.440 365 Y N -2.337 117.938 120.300 -0.040 0.000 2.550 365 Y HA 0.360 4.910 4.550 -0.000 0.000 0.275 365 Y C 1.154 177.048 175.900 -0.009 0.000 1.148 365 Y CA 0.180 58.266 58.100 -0.024 0.000 1.200 365 Y CB 0.683 39.128 38.460 -0.025 0.000 1.299 365 Y HN 0.064 nan 8.280 nan 0.000 0.509 366 G N -0.063 108.809 108.800 0.121 0.000 2.815 366 G HA2 0.123 4.083 3.960 -0.000 0.000 0.305 366 G HA3 0.123 4.083 3.960 -0.000 0.000 0.305 366 G C -0.395 174.528 174.900 0.038 0.000 1.277 366 G CA -0.328 44.819 45.100 0.079 0.000 0.795 366 G HN 0.025 nan 8.290 nan 0.000 0.528 367 N N -0.241 118.484 118.700 0.042 0.000 2.449 367 N HA 0.039 4.778 4.740 -0.000 0.000 0.191 367 N C 0.522 176.045 175.510 0.021 0.000 1.161 367 N CA 0.935 54.007 53.050 0.036 0.000 0.863 367 N CB 0.188 38.707 38.487 0.053 0.000 0.980 367 N HN 0.693 nan 8.380 nan 0.000 0.458 368 T N -3.622 110.923 114.554 -0.014 0.000 2.838 368 T HA 0.427 4.777 4.350 -0.000 0.000 0.292 368 T C -2.683 171.861 174.700 -0.261 0.000 1.113 368 T CA -1.424 60.610 62.100 -0.109 0.000 1.008 368 T CB 2.711 71.571 68.868 -0.013 0.000 1.259 368 T HN -0.246 nan 8.240 nan 0.000 0.520 369 P HA 0.296 nan 4.420 nan 0.000 0.257 369 P C -0.554 176.379 177.300 -0.611 0.000 1.281 369 P CA -0.205 62.471 63.100 -0.707 0.000 0.826 369 P CB -0.171 30.845 31.700 -1.141 0.000 1.237 370 F N 0.203 120.062 119.950 -0.151 0.000 2.492 370 F HA 0.491 5.018 4.527 -0.000 0.000 0.327 370 F C 0.626 176.423 175.800 -0.004 0.000 1.079 370 F CA -1.268 56.662 58.000 -0.118 0.000 0.967 370 F CB 1.758 40.664 39.000 -0.156 0.000 1.169 370 F HN -0.369 nan 8.300 nan 0.000 0.472 371 L N 2.378 123.752 121.223 0.251 0.000 2.354 371 L HA 0.566 4.906 4.340 -0.000 0.000 0.264 371 L C -1.468 175.597 176.870 0.324 0.000 1.008 371 L CA -0.875 54.090 54.840 0.208 0.000 0.819 371 L CB 2.563 44.641 42.059 0.031 0.000 1.339 371 L HN 0.502 nan 8.230 nan 0.000 0.420 372 F N 3.755 123.811 119.950 0.177 0.000 2.547 372 F HA 0.624 5.151 4.527 -0.000 0.000 0.316 372 F C -2.478 173.377 175.800 0.093 0.000 1.121 372 F CA -2.108 55.968 58.000 0.126 0.000 0.911 372 F CB 2.314 41.347 39.000 0.054 0.000 1.179 372 F HN 0.137 nan 8.300 nan 0.000 0.443 373 P HA 0.134 nan 4.420 nan 0.000 0.280 373 P C -0.675 176.302 177.300 -0.538 0.000 1.244 373 P CA -0.270 62.386 63.100 -0.739 0.000 0.784 373 P CB 1.472 32.718 31.700 -0.757 0.000 0.913 374 L N 5.511 126.517 121.223 -0.362 0.000 2.540 374 L HA -0.042 4.298 4.340 -0.000 0.000 0.276 374 L C 0.933 177.687 176.870 -0.193 0.000 1.212 374 L CA 0.938 55.607 54.840 -0.285 0.000 0.893 374 L CB -1.318 40.546 42.059 -0.325 0.000 1.138 374 L HN 0.477 nan 8.230 nan 0.000 0.491 375 Y N 1.005 121.267 120.300 -0.063 0.000 4.766 375 Y HA -0.179 4.371 4.550 -0.000 0.000 0.289 375 Y C 1.077 176.949 175.900 -0.046 0.000 0.965 375 Y CA 1.021 59.089 58.100 -0.053 0.000 1.738 375 Y CB -1.775 36.627 38.460 -0.096 0.000 1.062 375 Y HN 1.063 nan 8.280 nan 0.000 0.440 376 G N -0.563 108.209 108.800 -0.046 0.000 2.541 376 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.686 376 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.686 376 G C -0.084 174.630 174.900 -0.311 0.000 1.286 376 G CA -0.156 44.855 45.100 -0.149 0.000 0.894 376 G HN 0.058 nan 8.290 nan 0.000 0.575 377 Q N -0.097 119.558 119.800 -0.241 0.000 2.181 377 Q HA -0.111 4.229 4.340 -0.000 0.000 0.205 377 Q C 2.807 178.803 176.000 -0.007 0.000 0.980 377 Q CA 2.429 58.165 55.803 -0.113 0.000 0.862 377 Q CB -0.651 28.108 28.738 0.035 0.000 0.905 377 Q HN 1.133 nan 8.270 nan 0.000 0.429 378 G N 0.877 109.675 108.800 -0.004 0.000 2.516 378 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.221 378 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.221 378 G C 1.213 176.100 174.900 -0.021 0.000 1.107 378 G CA 0.544 45.644 45.100 -0.000 0.000 0.747 378 G HN 0.290 nan 8.290 nan 0.000 0.567 379 E N 0.432 120.597 120.200 -0.058 0.000 2.152 379 E HA -0.002 4.348 4.350 -0.000 0.000 0.192 379 E C 2.707 179.273 176.600 -0.057 0.000 0.983 379 E CA 0.169 56.519 56.400 -0.085 0.000 0.818 379 E CB -0.327 29.301 29.700 -0.121 0.000 0.758 379 E HN 0.478 nan 8.360 nan 0.000 0.467 380 L N 0.782 122.000 121.223 -0.008 0.000 2.013 380 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 380 L C -0.404 176.558 176.870 0.155 0.000 1.073 380 L CA 1.626 56.518 54.840 0.086 0.000 0.753 380 L CB -1.939 40.197 42.059 0.130 0.000 0.890 380 L HN 0.114 nan 8.230 nan 0.000 0.432 381 P HA -0.164 nan 4.420 nan 0.000 0.217 381 P C 1.524 178.840 177.300 0.026 0.000 1.150 381 P CA 1.216 64.360 63.100 0.073 0.000 0.832 381 P CB 0.027 31.752 31.700 0.043 0.000 0.787 382 Q N -1.451 118.290 119.800 -0.097 0.000 2.167 382 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 382 Q C 2.128 177.977 176.000 -0.253 0.000 0.970 382 Q CA 1.279 56.892 55.803 -0.315 0.000 0.855 382 Q CB -0.799 27.730 28.738 -0.349 0.000 0.911 382 Q HN 0.262 nan 8.270 nan 0.000 0.438 383 C N -0.069 119.156 119.300 -0.125 0.000 2.413 383 C HA -0.149 4.311 4.460 -0.000 0.000 0.276 383 C C 2.282 177.200 174.990 -0.120 0.000 1.236 383 C CA 0.674 59.645 59.018 -0.078 0.000 1.735 383 C CB -1.063 26.605 27.740 -0.120 0.000 2.031 383 C HN 0.444 nan 8.230 nan 0.000 0.474 384 F N 0.218 120.176 119.950 0.014 0.000 2.146 384 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 384 F C 2.656 178.473 175.800 0.029 0.000 1.096 384 F CA 1.480 59.491 58.000 0.018 0.000 1.275 384 F CB -0.882 38.104 39.000 -0.024 0.000 1.008 384 F HN 0.210 nan 8.300 nan 0.000 0.480 385 C N -0.194 119.169 119.300 0.105 0.000 2.419 385 C HA -0.160 4.300 4.460 -0.000 0.000 0.281 385 C C 2.858 177.742 174.990 -0.177 0.000 1.336 385 C CA 0.916 59.938 59.018 0.008 0.000 1.770 385 C CB -1.212 26.311 27.740 -0.362 0.000 1.929 385 C HN 0.420 nan 8.230 nan 0.000 0.509 386 R N 0.481 120.841 120.500 -0.234 0.000 2.066 386 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 386 R C 2.322 178.615 176.300 -0.012 0.000 1.131 386 R CA 1.512 57.448 56.100 -0.274 0.000 0.955 386 R CB -0.419 29.531 30.300 -0.583 0.000 0.851 386 R HN 0.524 nan 8.270 nan 0.000 0.432 387 M N 0.236 119.935 119.600 0.164 0.000 2.108 387 M HA -0.241 4.239 4.480 -0.000 0.000 0.261 387 M C 2.477 178.965 176.300 0.314 0.000 1.066 387 M CA 2.003 57.470 55.300 0.278 0.000 1.107 387 M CB -0.400 32.312 32.600 0.188 0.000 1.356 387 M HN 0.486 nan 8.290 nan 0.000 0.406 388 C N 0.682 120.138 119.300 0.259 0.000 2.413 388 C HA -0.148 4.311 4.460 -0.000 0.000 0.277 388 C C 2.878 178.063 174.990 0.326 0.000 1.228 388 C CA 1.579 60.774 59.018 0.295 0.000 1.731 388 C CB -1.383 26.577 27.740 0.367 0.000 2.042 388 C HN 0.698 nan 8.230 nan 0.000 0.468 389 A N 0.012 123.025 122.820 0.321 0.000 1.873 389 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 389 A C 2.389 180.044 177.584 0.118 0.000 1.193 389 A CA 2.503 54.685 52.037 0.241 0.000 0.629 389 A CB -1.177 17.868 19.000 0.074 0.000 0.826 389 A HN 0.536 nan 8.150 nan 0.000 0.447 390 V N -1.598 118.351 119.914 0.059 0.000 2.380 390 V HA -0.256 3.864 4.120 -0.000 0.000 0.251 390 V C 1.902 177.869 176.094 -0.211 0.000 1.063 390 V CA 1.936 64.183 62.300 -0.089 0.000 1.055 390 V CB -0.812 30.948 31.823 -0.104 0.000 0.657 390 V HN 0.571 nan 8.190 nan 0.000 0.455 391 F N -0.067 119.914 119.950 0.051 0.000 2.664 391 F HA 0.453 4.980 4.527 -0.000 0.000 0.301 391 F C 1.606 177.438 175.800 0.054 0.000 1.126 391 F CA 0.757 58.783 58.000 0.042 0.000 1.373 391 F CB 0.320 39.338 39.000 0.030 0.000 1.042 391 F HN 0.238 nan 8.300 nan 0.000 0.535 392 G N -0.419 108.473 108.800 0.154 0.000 2.184 392 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.206 392 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.206 392 G C 0.686 175.681 174.900 0.159 0.000 0.995 392 G CA -0.446 44.737 45.100 0.138 0.000 0.651 392 G HN 0.672 nan 8.290 nan 0.000 0.511 393 G N 0.064 108.974 108.800 0.183 0.000 2.398 393 G HA2 0.491 4.451 3.960 -0.000 0.000 0.246 393 G HA3 0.491 4.451 3.960 -0.000 0.000 0.246 393 G C 0.094 175.073 174.900 0.132 0.000 1.289 393 G CA -0.098 45.079 45.100 0.129 0.000 0.869 393 G HN 0.608 nan 8.290 nan 0.000 0.543 394 I N 1.329 121.898 120.570 -0.001 0.000 2.359 394 I HA 0.264 4.434 4.170 -0.000 0.000 0.294 394 I C -0.764 175.246 176.117 -0.178 0.000 0.987 394 I CA -0.597 60.723 61.300 0.034 0.000 1.225 394 I CB 1.419 39.496 38.000 0.129 0.000 1.366 394 I HN 0.375 nan 8.210 nan 0.000 0.466 395 Y N 4.412 124.732 120.300 0.034 0.000 2.360 395 Y HA 0.457 5.007 4.550 -0.000 0.000 0.337 395 Y C -0.265 175.626 175.900 -0.014 0.000 1.039 395 Y CA -0.359 57.755 58.100 0.023 0.000 1.109 395 Y CB 1.809 40.329 38.460 0.099 0.000 1.201 395 Y HN 0.446 nan 8.280 nan 0.000 0.458 396 C N 5.441 124.760 119.300 0.032 0.000 2.571 396 C HA 0.491 4.951 4.460 -0.000 0.000 0.343 396 C C -0.266 174.722 174.990 -0.003 0.000 1.082 396 C CA -1.331 57.693 59.018 0.011 0.000 1.339 396 C CB -0.680 26.983 27.740 -0.127 0.000 1.893 396 C HN 0.711 nan 8.230 nan 0.000 0.445 397 L N 2.586 123.796 121.223 -0.021 0.000 2.454 397 L HA 0.547 4.887 4.340 -0.000 0.000 0.256 397 L C 0.962 177.841 176.870 0.014 0.000 1.136 397 L CA -0.459 54.317 54.840 -0.106 0.000 0.804 397 L CB 0.428 42.348 42.059 -0.232 0.000 1.181 397 L HN 0.729 nan 8.230 nan 0.000 0.469 398 R N -0.229 120.263 120.500 -0.014 0.000 3.525 398 R HA -0.240 4.100 4.340 -0.000 0.000 0.276 398 R C -0.476 175.894 176.300 0.118 0.000 1.116 398 R CA 0.562 56.681 56.100 0.032 0.000 0.745 398 R CB -2.102 28.221 30.300 0.038 0.000 1.185 398 R HN 0.614 nan 8.270 nan 0.000 0.454 399 H N -0.343 118.728 119.070 0.003 0.000 3.036 399 H HA 0.350 4.906 4.556 -0.000 0.000 0.295 399 H C -0.496 174.802 175.328 -0.049 0.000 1.124 399 H CA -0.373 55.685 56.048 0.017 0.000 1.507 399 H CB 0.889 30.702 29.762 0.085 0.000 1.591 399 H HN 0.142 nan 8.280 nan 0.000 0.510 400 S N 2.313 118.026 115.700 0.023 0.000 2.614 400 S HA 0.306 4.776 4.470 -0.000 0.000 0.265 400 S C -0.329 174.291 174.600 0.033 0.000 1.303 400 S CA -0.661 57.555 58.200 0.026 0.000 1.000 400 S CB 1.557 64.739 63.200 -0.031 0.000 0.935 400 S HN 0.350 nan 8.310 nan 0.000 0.551 401 V N 2.481 122.399 119.914 0.006 0.000 2.487 401 V HA 0.244 4.364 4.120 -0.000 0.000 0.298 401 V C 0.600 176.650 176.094 -0.073 0.000 1.028 401 V CA -0.582 61.707 62.300 -0.018 0.000 0.860 401 V CB 1.760 33.563 31.823 -0.034 0.000 0.991 401 V HN 0.771 nan 8.190 nan 0.000 0.427 402 Q N 2.113 121.841 119.800 -0.121 0.000 2.049 402 Q HA 0.030 4.370 4.340 -0.000 0.000 0.198 402 Q C 0.710 176.447 176.000 -0.438 0.000 0.971 402 Q CA 1.394 57.053 55.803 -0.239 0.000 0.833 402 Q CB 0.218 28.822 28.738 -0.224 0.000 0.896 402 Q HN 0.980 nan 8.270 nan 0.000 0.434 403 C N -2.765 116.281 119.300 -0.423 0.000 3.306 403 C HA 0.663 5.123 4.460 -0.000 0.000 0.335 403 C C -1.228 173.581 174.990 -0.302 0.000 1.382 403 C CA -1.517 57.218 59.018 -0.473 0.000 1.254 403 C CB 0.224 27.421 27.740 -0.904 0.000 1.555 403 C HN 0.122 nan 8.230 nan 0.000 0.463 404 L N 1.633 122.684 121.223 -0.286 0.000 2.343 404 L HA 0.728 5.068 4.340 -0.000 0.000 0.275 404 L C 0.056 176.782 176.870 -0.240 0.000 1.056 404 L CA -0.356 54.319 54.840 -0.275 0.000 0.804 404 L CB 1.694 43.575 42.059 -0.296 0.000 1.203 404 L HN 0.718 nan 8.230 nan 0.000 0.440 405 V N 3.547 123.325 119.914 -0.227 0.000 2.334 405 V HA 0.455 4.575 4.120 -0.000 0.000 0.281 405 V C -0.263 175.738 176.094 -0.154 0.000 1.016 405 V CA -0.732 61.487 62.300 -0.135 0.000 0.832 405 V CB 1.735 33.521 31.823 -0.061 0.000 0.999 405 V HN 0.429 nan 8.190 nan 0.000 0.439 406 V N 3.569 123.416 119.914 -0.112 0.000 2.472 406 V HA 0.364 4.484 4.120 -0.000 0.000 0.290 406 V C 0.021 176.084 176.094 -0.051 0.000 1.037 406 V CA -0.637 61.604 62.300 -0.099 0.000 0.908 406 V CB 1.974 33.742 31.823 -0.091 0.000 0.985 406 V HN 0.867 nan 8.190 nan 0.000 0.454 407 D N 3.661 124.035 120.400 -0.044 0.000 2.339 407 D HA 0.132 4.772 4.640 -0.000 0.000 0.256 407 D C 1.015 177.304 176.300 -0.018 0.000 1.214 407 D CA -0.018 53.970 54.000 -0.020 0.000 0.877 407 D CB 1.195 41.986 40.800 -0.014 0.000 1.111 407 D HN 0.485 nan 8.370 nan 0.000 0.478 408 K N 2.543 122.937 120.400 -0.009 0.000 2.211 408 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 408 K C 1.501 178.097 176.600 -0.005 0.000 1.047 408 K CA 0.947 57.230 56.287 -0.006 0.000 0.935 408 K CB 0.407 32.907 32.500 0.000 0.000 0.728 408 K HN 0.483 nan 8.250 nan 0.000 0.452 409 E N 0.324 120.522 120.200 -0.004 0.000 2.011 409 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 409 E C 2.149 178.746 176.600 -0.004 0.000 0.980 409 E CA 1.628 58.026 56.400 -0.002 0.000 0.814 409 E CB -0.435 29.265 29.700 0.000 0.000 0.775 409 E HN 0.281 nan 8.360 nan 0.000 0.454 410 S N 0.139 115.836 115.700 -0.005 0.000 2.481 410 S HA -0.018 4.452 4.470 -0.000 0.000 0.231 410 S C 1.010 175.602 174.600 -0.012 0.000 0.996 410 S CA 0.332 58.528 58.200 -0.006 0.000 0.942 410 S CB 0.115 63.313 63.200 -0.004 0.000 0.768 410 S HN 0.117 nan 8.310 nan 0.000 0.520 411 R N -0.426 120.062 120.500 -0.019 0.000 3.954 411 R HA -0.073 4.267 4.340 -0.000 0.000 0.422 411 R C -0.886 175.389 176.300 -0.042 0.000 1.091 411 R CA 1.163 57.246 56.100 -0.028 0.000 1.168 411 R CB -1.893 28.394 30.300 -0.022 0.000 1.752 411 R HN 0.448 nan 8.270 nan 0.000 0.547 412 K N 0.406 120.784 120.400 -0.038 0.000 2.098 412 K HA 0.260 4.580 4.320 -0.000 0.000 0.257 412 K C 0.514 177.064 176.600 -0.084 0.000 0.999 412 K CA -0.544 55.715 56.287 -0.046 0.000 0.924 412 K CB 1.250 33.742 32.500 -0.013 0.000 1.028 412 K HN 0.161 nan 8.250 nan 0.000 0.466 413 C N 2.184 121.402 119.300 -0.138 0.000 2.585 413 C HA 0.186 4.646 4.460 -0.000 0.000 0.406 413 C C 1.342 176.231 174.990 -0.169 0.000 1.312 413 C CA -0.142 58.686 59.018 -0.316 0.000 1.924 413 C CB -0.768 26.550 27.740 -0.703 0.000 2.578 413 C HN 0.738 nan 8.230 nan 0.000 0.580 414 K N 3.338 123.658 120.400 -0.133 0.000 2.244 414 K HA 0.426 4.746 4.320 -0.000 0.000 0.200 414 K C 0.585 177.313 176.600 0.214 0.000 1.052 414 K CA 0.893 57.213 56.287 0.056 0.000 0.980 414 K CB 0.273 32.788 32.500 0.025 0.000 0.838 414 K HN 0.796 nan 8.250 nan 0.000 0.481 415 A N 0.246 123.111 122.820 0.074 0.000 2.483 415 A HA 0.557 4.877 4.320 -0.000 0.000 0.306 415 A C -1.528 176.099 177.584 0.072 0.000 1.137 415 A CA -0.678 51.506 52.037 0.246 0.000 0.626 415 A CB 0.757 19.858 19.000 0.168 0.000 1.352 415 A HN -0.056 nan 8.150 nan 0.000 0.508 416 V N -2.056 117.959 119.914 0.168 0.000 3.126 416 V HA 0.887 5.007 4.120 -0.000 0.000 0.314 416 V C -0.768 175.364 176.094 0.064 0.000 1.138 416 V CA -0.857 61.480 62.300 0.060 0.000 1.034 416 V CB 1.750 33.640 31.823 0.112 0.000 1.075 416 V HN 0.810 nan 8.190 nan 0.000 0.442 417 I N 2.576 123.155 120.570 0.016 0.000 2.439 417 I HA 0.436 4.606 4.170 -0.000 0.000 0.285 417 I C -0.837 175.307 176.117 0.045 0.000 1.021 417 I CA -0.466 60.870 61.300 0.059 0.000 1.091 417 I CB 1.721 39.770 38.000 0.081 0.000 1.242 417 I HN 0.978 nan 8.210 nan 0.000 0.439 418 D N 4.605 125.068 120.400 0.105 0.000 2.411 418 D HA 0.028 4.668 4.640 -0.000 0.000 0.251 418 D C 1.055 177.311 176.300 -0.074 0.000 1.201 418 D CA -0.579 53.465 54.000 0.073 0.000 0.996 418 D CB 0.632 41.613 40.800 0.302 0.000 1.101 418 D HN 0.660 nan 8.370 nan 0.000 0.504 419 Q N -0.555 119.055 119.800 -0.317 0.000 2.376 419 Q HA -0.183 4.157 4.340 -0.000 0.000 0.211 419 Q C 0.794 176.497 176.000 -0.495 0.000 0.986 419 Q CA 1.384 56.907 55.803 -0.466 0.000 0.886 419 Q CB -0.621 27.690 28.738 -0.711 0.000 0.927 419 Q HN 0.577 nan 8.270 nan 0.000 0.457 420 F N -0.033 119.899 119.950 -0.031 0.000 2.693 420 F HA 0.404 4.931 4.527 -0.000 0.000 0.303 420 F C 1.426 177.250 175.800 0.039 0.000 1.097 420 F CA 0.099 58.092 58.000 -0.011 0.000 1.330 420 F CB 0.810 39.784 39.000 -0.043 0.000 1.067 420 F HN 0.242 nan 8.300 nan 0.000 0.565 421 G N 0.857 109.757 108.800 0.167 0.000 2.143 421 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.249 421 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.249 421 G C 0.121 175.120 174.900 0.165 0.000 0.981 421 G CA -0.114 45.083 45.100 0.163 0.000 0.665 421 G HN 0.421 nan 8.290 nan 0.000 0.528 422 Q N 0.069 119.985 119.800 0.194 0.000 2.261 422 Q HA 0.551 4.891 4.340 -0.000 0.000 0.252 422 Q C 0.377 176.474 176.000 0.161 0.000 0.915 422 Q CA -0.626 55.285 55.803 0.180 0.000 0.915 422 Q CB 0.474 29.344 28.738 0.221 0.000 1.204 422 Q HN 0.440 nan 8.270 nan 0.000 0.421 423 R N 3.873 124.454 120.500 0.135 0.000 2.229 423 R HA 0.420 4.759 4.340 -0.000 0.000 0.328 423 R C -0.760 175.622 176.300 0.137 0.000 1.009 423 R CA -0.188 55.988 56.100 0.126 0.000 0.864 423 R CB 0.729 31.091 30.300 0.102 0.000 1.085 423 R HN 0.558 nan 8.270 nan 0.000 0.453 424 I N 4.805 125.471 120.570 0.160 0.000 2.382 424 I HA 0.315 4.485 4.170 -0.000 0.000 0.286 424 I C 0.031 176.272 176.117 0.206 0.000 1.002 424 I CA -0.581 60.833 61.300 0.190 0.000 1.135 424 I CB 1.651 39.786 38.000 0.225 0.000 1.288 424 I HN 0.415 nan 8.210 nan 0.000 0.448 425 I N 4.709 125.381 120.570 0.170 0.000 2.519 425 I HA 0.331 4.501 4.170 -0.000 0.000 0.287 425 I C 0.460 176.652 176.117 0.126 0.000 1.047 425 I CA 0.402 61.801 61.300 0.164 0.000 1.381 425 I CB 1.505 39.561 38.000 0.093 0.000 1.417 425 I HN 0.571 nan 8.210 nan 0.000 0.540 426 S N 3.713 119.467 115.700 0.090 0.000 2.588 426 S HA 0.385 4.855 4.470 -0.000 0.000 0.269 426 S C 0.115 174.582 174.600 -0.222 0.000 1.157 426 S CA -0.768 57.304 58.200 -0.214 0.000 0.824 426 S CB 1.711 64.482 63.200 -0.715 0.000 1.126 426 S HN 0.620 nan 8.310 nan 0.000 0.464 427 K N 0.573 120.787 120.400 -0.309 0.000 2.202 427 K HA 0.191 4.511 4.320 -0.000 0.000 0.201 427 K C 0.006 176.273 176.600 -0.556 0.000 1.051 427 K CA 0.508 56.565 56.287 -0.383 0.000 0.977 427 K CB 0.009 32.216 32.500 -0.487 0.000 0.792 427 K HN 0.567 nan 8.250 nan 0.000 0.469 428 H N -0.743 118.203 119.070 -0.208 0.000 2.637 428 H HA 0.306 4.862 4.556 -0.000 0.000 0.363 428 H C -1.172 173.948 175.328 -0.346 0.000 1.131 428 H CA -0.717 55.320 56.048 -0.018 0.000 1.183 428 H CB 1.286 31.090 29.762 0.070 0.000 1.637 428 H HN -0.122 nan 8.280 nan 0.000 0.531 429 F N 2.312 122.413 119.950 0.251 0.000 2.499 429 F HA 0.410 4.937 4.527 -0.000 0.000 0.333 429 F C 0.158 176.059 175.800 0.168 0.000 1.138 429 F CA -0.611 57.462 58.000 0.120 0.000 0.945 429 F CB 1.558 40.569 39.000 0.019 0.000 1.181 429 F HN 0.221 nan 8.300 nan 0.000 0.435 430 I N 5.344 126.040 120.570 0.210 0.000 2.362 430 I HA 0.480 4.650 4.170 -0.000 0.000 0.289 430 I C -0.611 175.552 176.117 0.077 0.000 0.994 430 I CA -0.499 60.894 61.300 0.156 0.000 1.158 430 I CB 1.415 39.447 38.000 0.052 0.000 1.315 430 I HN 0.476 nan 8.210 nan 0.000 0.451 431 I N 5.361 125.975 120.570 0.074 0.000 2.498 431 I HA 0.291 4.461 4.170 -0.000 0.000 0.290 431 I C 0.067 176.232 176.117 0.081 0.000 1.032 431 I CA -0.745 60.578 61.300 0.038 0.000 1.073 431 I CB 2.194 40.204 38.000 0.016 0.000 1.251 431 I HN 0.543 nan 8.210 nan 0.000 0.426 432 E N 4.499 124.796 120.200 0.161 0.000 2.354 432 E HA -0.026 4.324 4.350 -0.000 0.000 0.269 432 E C 0.395 177.154 176.600 0.265 0.000 1.036 432 E CA 0.173 56.723 56.400 0.250 0.000 0.876 432 E CB 1.340 31.257 29.700 0.361 0.000 1.009 432 E HN 0.753 nan 8.360 nan 0.000 0.416 433 D N 2.566 123.094 120.400 0.214 0.000 2.157 433 D HA -0.276 4.364 4.640 -0.000 0.000 0.191 433 D C 1.665 178.089 176.300 0.206 0.000 1.004 433 D CA 2.775 56.910 54.000 0.224 0.000 0.854 433 D CB 0.026 41.019 40.800 0.322 0.000 0.936 433 D HN 0.440 nan 8.370 nan 0.000 0.446 434 S N -1.577 114.206 115.700 0.139 0.000 2.465 434 S HA -0.204 4.266 4.470 -0.000 0.000 0.241 434 S C 1.602 176.164 174.600 -0.062 0.000 1.000 434 S CA 0.701 58.898 58.200 -0.005 0.000 0.964 434 S CB -0.800 62.339 63.200 -0.102 0.000 0.763 434 S HN 0.492 nan 8.310 nan 0.000 0.512 435 Y N 1.258 121.603 120.300 0.075 0.000 2.466 435 Y HA 0.461 5.011 4.550 -0.000 0.000 0.272 435 Y C 0.804 176.725 175.900 0.036 0.000 1.169 435 Y CA -0.478 57.651 58.100 0.049 0.000 1.285 435 Y CB -0.058 38.426 38.460 0.039 0.000 1.078 435 Y HN 0.209 nan 8.280 nan 0.000 0.523 436 L N 0.379 121.711 121.223 0.181 0.000 2.395 436 L HA 0.226 4.566 4.340 -0.000 0.000 0.269 436 L C 0.846 177.789 176.870 0.123 0.000 1.133 436 L CA -0.783 54.138 54.840 0.136 0.000 0.812 436 L CB 0.821 42.973 42.059 0.154 0.000 1.125 436 L HN 0.058 nan 8.230 nan 0.000 0.452 437 S N 0.760 116.513 115.700 0.089 0.000 2.579 437 S HA 0.040 4.510 4.470 -0.000 0.000 0.275 437 S C 0.836 175.496 174.600 0.100 0.000 1.345 437 S CA -0.508 57.737 58.200 0.074 0.000 1.031 437 S CB 0.815 64.041 63.200 0.045 0.000 0.892 437 S HN 0.694 nan 8.310 nan 0.000 0.529 438 E N 1.568 121.819 120.200 0.084 0.000 2.160 438 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 438 E C 1.669 178.319 176.600 0.082 0.000 0.991 438 E CA 1.301 57.756 56.400 0.092 0.000 0.810 438 E CB -0.359 29.383 29.700 0.070 0.000 0.742 438 E HN 0.799 nan 8.360 nan 0.000 0.466 439 N N 0.300 119.041 118.700 0.067 0.000 2.058 439 N HA -0.121 4.619 4.740 -0.000 0.000 0.191 439 N C 1.755 177.304 175.510 0.065 0.000 1.037 439 N CA 1.888 54.971 53.050 0.055 0.000 0.848 439 N CB -0.019 38.495 38.487 0.045 0.000 1.021 439 N HN -0.045 nan 8.380 nan 0.000 0.422 440 T N -1.031 113.575 114.554 0.086 0.000 2.833 440 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 440 T C 1.265 176.066 174.700 0.169 0.000 1.054 440 T CA 0.991 63.164 62.100 0.122 0.000 1.135 440 T CB -0.272 68.677 68.868 0.135 0.000 0.869 440 T HN 0.392 nan 8.240 nan 0.000 0.466 441 C N 2.157 121.552 119.300 0.158 0.000 2.668 441 C HA 0.280 4.740 4.460 -0.000 0.000 0.301 441 C C 2.604 177.603 174.990 0.016 0.000 1.351 441 C CA -0.515 58.570 59.018 0.110 0.000 1.757 441 C CB -1.670 26.224 27.740 0.257 0.000 2.179 441 C HN 0.671 nan 8.230 nan 0.000 0.586 442 S N 1.387 117.098 115.700 0.018 0.000 2.440 442 S HA -0.150 4.320 4.470 -0.000 0.000 0.238 442 S C 1.675 176.249 174.600 -0.044 0.000 1.010 442 S CA 1.101 59.302 58.200 0.001 0.000 0.972 442 S CB -0.282 62.925 63.200 0.012 0.000 0.774 442 S HN 0.741 nan 8.310 nan 0.000 0.501 443 R N 0.276 120.721 120.500 -0.091 0.000 2.308 443 R HA 0.318 4.658 4.340 -0.000 0.000 0.202 443 R C -0.247 175.929 176.300 -0.207 0.000 0.898 443 R CA -0.035 55.993 56.100 -0.120 0.000 1.046 443 R CB 0.250 30.488 30.300 -0.103 0.000 1.026 443 R HN 0.261 nan 8.270 nan 0.000 0.512 444 V N 2.553 122.272 119.914 -0.326 0.000 2.599 444 V HA -0.066 4.054 4.120 -0.000 0.000 0.300 444 V C 0.333 176.119 176.094 -0.514 0.000 1.034 444 V CA 0.662 62.638 62.300 -0.539 0.000 1.115 444 V CB 0.964 32.267 31.823 -0.867 0.000 0.934 444 V HN 0.244 nan 8.190 nan 0.000 0.485 445 Q N 4.074 123.621 119.800 -0.422 0.000 2.431 445 Q HA 0.402 4.742 4.340 -0.000 0.000 0.249 445 Q C -1.174 174.679 176.000 -0.246 0.000 1.025 445 Q CA -0.223 55.429 55.803 -0.252 0.000 0.835 445 Q CB 1.111 29.774 28.738 -0.125 0.000 1.207 445 Q HN 0.717 nan 8.270 nan 0.000 0.490 446 Y N 0.689 120.987 120.300 -0.003 0.000 2.326 446 Y HA 0.370 4.920 4.550 -0.000 0.000 0.324 446 Y C 0.845 176.753 175.900 0.014 0.000 1.291 446 Y CA -0.474 57.633 58.100 0.012 0.000 1.348 446 Y CB 1.000 39.474 38.460 0.025 0.000 1.294 446 Y HN 0.376 nan 8.280 nan 0.000 0.525 447 R N 0.375 120.998 120.500 0.204 0.000 2.893 447 R HA 0.495 4.835 4.340 -0.000 0.000 0.245 447 R C -0.951 175.402 176.300 0.088 0.000 1.192 447 R CA -1.098 55.062 56.100 0.099 0.000 1.077 447 R CB 1.222 31.544 30.300 0.037 0.000 1.253 447 R HN 0.544 nan 8.270 nan 0.000 0.505 448 Q N 0.530 120.353 119.800 0.037 0.000 2.456 448 Q HA 0.498 4.838 4.340 -0.000 0.000 0.283 448 Q C -1.011 174.982 176.000 -0.012 0.000 1.084 448 Q CA -0.652 55.169 55.803 0.030 0.000 0.801 448 Q CB 2.794 31.569 28.738 0.062 0.000 1.434 448 Q HN 0.468 nan 8.270 nan 0.000 0.419 449 I N 0.540 121.103 120.570 -0.013 0.000 2.465 449 I HA 0.342 4.512 4.170 -0.000 0.000 0.291 449 I C -0.196 175.888 176.117 -0.055 0.000 1.014 449 I CA -0.644 60.627 61.300 -0.050 0.000 1.093 449 I CB 2.102 40.062 38.000 -0.067 0.000 1.267 449 I HN 0.258 nan 8.210 nan 0.000 0.431 450 S N 6.096 121.761 115.700 -0.059 0.000 2.438 450 S HA 0.518 4.988 4.470 -0.000 0.000 0.293 450 S C -0.303 174.200 174.600 -0.161 0.000 1.141 450 S CA -0.764 57.396 58.200 -0.068 0.000 1.080 450 S CB 0.597 63.802 63.200 0.009 0.000 0.978 450 S HN 0.387 nan 8.310 nan 0.000 0.479 451 R N 1.631 121.915 120.500 -0.359 0.000 2.686 451 R HA 0.786 5.126 4.340 -0.000 0.000 0.286 451 R C -0.937 175.128 176.300 -0.391 0.000 0.969 451 R CA -0.685 55.124 56.100 -0.485 0.000 0.898 451 R CB 2.007 31.720 30.300 -0.978 0.000 1.183 451 R HN 0.647 nan 8.270 nan 0.000 0.456 452 A N 1.832 124.527 122.820 -0.208 0.000 2.422 452 A HA 0.653 4.973 4.320 -0.000 0.000 0.302 452 A C -1.131 176.376 177.584 -0.128 0.000 1.041 452 A CA -0.616 51.271 52.037 -0.250 0.000 0.708 452 A CB 1.845 20.668 19.000 -0.295 0.000 1.257 452 A HN 0.338 nan 8.150 nan 0.000 0.414 453 V N 3.211 123.053 119.914 -0.120 0.000 2.487 453 V HA 0.559 4.679 4.120 -0.000 0.000 0.298 453 V C -0.571 175.497 176.094 -0.044 0.000 1.028 453 V CA -0.260 62.022 62.300 -0.030 0.000 0.860 453 V CB 1.260 33.209 31.823 0.210 0.000 0.991 453 V HN 0.772 nan 8.190 nan 0.000 0.427 454 L N 5.440 126.605 121.223 -0.096 0.000 2.370 454 L HA 0.681 5.021 4.340 -0.000 0.000 0.266 454 L C -0.831 176.050 176.870 0.018 0.000 1.002 454 L CA -0.675 54.124 54.840 -0.068 0.000 0.818 454 L CB 2.540 44.400 42.059 -0.331 0.000 1.325 454 L HN 0.421 nan 8.230 nan 0.000 0.418 455 I N 1.876 122.533 120.570 0.145 0.000 2.355 455 I HA 0.391 4.561 4.170 -0.000 0.000 0.288 455 I C 0.142 176.318 176.117 0.098 0.000 0.999 455 I CA -0.179 61.212 61.300 0.152 0.000 1.163 455 I CB 1.957 40.054 38.000 0.160 0.000 1.316 455 I HN 0.725 nan 8.210 nan 0.000 0.454 456 T N 0.093 114.703 114.554 0.093 0.000 2.927 456 T HA 0.391 4.741 4.350 -0.000 0.000 0.286 456 T C 0.057 174.886 174.700 0.215 0.000 1.040 456 T CA -0.697 61.473 62.100 0.117 0.000 1.010 456 T CB 2.015 70.919 68.868 0.061 0.000 1.177 456 T HN 0.591 nan 8.240 nan 0.000 0.546 457 D N -1.656 118.881 120.400 0.230 0.000 2.440 457 D HA 0.407 5.047 4.640 -0.000 0.000 0.216 457 D C 0.618 177.089 176.300 0.285 0.000 1.150 457 D CA -0.373 53.766 54.000 0.232 0.000 0.832 457 D CB 0.093 41.008 40.800 0.191 0.000 0.992 457 D HN 0.971 nan 8.370 nan 0.000 0.502 458 G N -0.953 108.032 108.800 0.308 0.000 2.601 458 G HA2 0.408 4.368 3.960 -0.000 0.000 0.291 458 G HA3 0.408 4.368 3.960 -0.000 0.000 0.291 458 G C -1.449 173.316 174.900 -0.224 0.000 1.456 458 G CA -0.690 44.514 45.100 0.173 0.000 0.804 458 G HN 0.080 nan 8.290 nan 0.000 0.499 459 S N -1.037 114.376 115.700 -0.478 0.000 2.580 459 S HA 0.284 4.753 4.470 -0.000 0.000 0.274 459 S C 1.886 176.334 174.600 -0.254 0.000 1.329 459 S CA 0.075 57.896 58.200 -0.631 0.000 1.036 459 S CB 1.201 64.099 63.200 -0.504 0.000 0.919 459 S HN 1.644 nan 8.310 nan 0.000 0.515 460 V N 3.011 122.795 119.914 -0.217 0.000 2.867 460 V HA 0.192 4.312 4.120 -0.000 0.000 0.260 460 V C 0.771 176.765 176.094 -0.168 0.000 1.099 460 V CA 1.236 63.386 62.300 -0.251 0.000 1.122 460 V CB -1.112 30.555 31.823 -0.259 0.000 0.708 460 V HN 0.674 nan 8.190 nan 0.000 0.490 461 L N 1.369 122.516 121.223 -0.126 0.000 2.529 461 L HA 0.483 4.823 4.340 -0.000 0.000 0.258 461 L C 0.032 176.866 176.870 -0.059 0.000 1.032 461 L CA -0.631 54.167 54.840 -0.070 0.000 0.899 461 L CB 0.964 43.000 42.059 -0.039 0.000 1.174 461 L HN 0.180 nan 8.230 nan 0.000 0.458 462 R N 1.973 122.443 120.500 -0.049 0.000 2.570 462 R HA 0.371 4.711 4.340 -0.000 0.000 0.277 462 R C -0.000 176.303 176.300 0.005 0.000 1.039 462 R CA 0.525 56.612 56.100 -0.020 0.000 1.065 462 R CB 0.619 30.916 30.300 -0.005 0.000 0.964 462 R HN 0.599 nan 8.270 nan 0.000 0.428 463 T N -2.642 111.927 114.554 0.024 0.000 2.762 463 T HA 0.153 4.503 4.350 -0.000 0.000 0.301 463 T C 0.247 174.974 174.700 0.046 0.000 1.299 463 T CA -1.058 61.061 62.100 0.033 0.000 1.005 463 T CB 1.591 70.479 68.868 0.034 0.000 1.377 463 T HN 0.376 nan 8.240 nan 0.000 0.504 464 D N 1.399 121.823 120.400 0.040 0.000 2.087 464 D HA 0.007 4.646 4.640 -0.000 0.000 0.192 464 D C 1.365 177.694 176.300 0.049 0.000 0.993 464 D CA 1.567 55.592 54.000 0.041 0.000 0.828 464 D CB -0.781 40.039 40.800 0.033 0.000 0.968 464 D HN 0.892 nan 8.370 nan 0.000 0.448 465 A N 1.926 124.776 122.820 0.049 0.000 2.541 465 A HA 0.079 4.399 4.320 -0.000 0.000 0.293 465 A C 0.615 178.246 177.584 0.078 0.000 1.307 465 A CA -0.228 51.840 52.037 0.053 0.000 0.978 465 A CB -0.147 18.881 19.000 0.048 0.000 1.111 465 A HN 0.117 nan 8.150 nan 0.000 0.535 466 D N 1.768 122.219 120.400 0.085 0.000 2.117 466 D HA -0.149 4.490 4.640 -0.000 0.000 0.198 466 D C 0.470 176.856 176.300 0.144 0.000 0.982 466 D CA 0.907 54.993 54.000 0.144 0.000 0.828 466 D CB -0.204 40.656 40.800 0.099 0.000 0.967 466 D HN 0.420 nan 8.370 nan 0.000 0.464 467 Q N 1.289 121.123 119.800 0.056 0.000 3.025 467 Q HA 0.118 4.458 4.340 -0.000 0.000 0.251 467 Q C -0.343 175.699 176.000 0.070 0.000 1.348 467 Q CA 0.458 56.279 55.803 0.030 0.000 0.906 467 Q CB -0.320 28.414 28.738 -0.007 0.000 1.764 467 Q HN 0.507 nan 8.270 nan 0.000 0.535 468 Q N 0.202 120.083 119.800 0.134 0.000 2.342 468 Q HA 0.541 4.881 4.340 -0.000 0.000 0.267 468 Q C -0.555 175.515 176.000 0.117 0.000 1.038 468 Q CA -0.803 55.068 55.803 0.114 0.000 0.832 468 Q CB 2.690 31.493 28.738 0.109 0.000 1.323 468 Q HN 0.065 nan 8.270 nan 0.000 0.448 469 V N 1.804 121.761 119.914 0.071 0.000 2.378 469 V HA 0.487 4.607 4.120 -0.000 0.000 0.288 469 V C -0.529 175.586 176.094 0.034 0.000 1.016 469 V CA -0.374 61.946 62.300 0.032 0.000 0.840 469 V CB 1.587 33.410 31.823 -0.001 0.000 0.994 469 V HN 0.787 nan 8.190 nan 0.000 0.431 470 S N 5.280 120.990 115.700 0.018 0.000 2.599 470 S HA 0.777 5.247 4.470 -0.000 0.000 0.294 470 S C -0.647 173.954 174.600 0.001 0.000 1.094 470 S CA -0.660 57.555 58.200 0.025 0.000 0.931 470 S CB 2.616 65.829 63.200 0.022 0.000 1.093 470 S HN 0.685 nan 8.310 nan 0.000 0.488 471 I N 2.094 122.676 120.570 0.020 0.000 2.498 471 I HA 0.655 4.825 4.170 -0.000 0.000 0.290 471 I C -1.910 174.224 176.117 0.027 0.000 1.032 471 I CA -1.245 60.050 61.300 -0.007 0.000 1.073 471 I CB 1.385 39.347 38.000 -0.064 0.000 1.251 471 I HN 0.642 nan 8.210 nan 0.000 0.426 472 L N 7.083 128.315 121.223 0.014 0.000 2.362 472 L HA 0.621 4.961 4.340 -0.000 0.000 0.275 472 L C -0.998 175.886 176.870 0.023 0.000 0.998 472 L CA 0.217 55.072 54.840 0.025 0.000 0.820 472 L CB 2.154 44.215 42.059 0.004 0.000 1.270 472 L HN 0.556 nan 8.230 nan 0.000 0.415 473 T N 4.417 119.001 114.554 0.050 0.000 2.771 473 T HA 0.611 4.961 4.350 -0.000 0.000 0.281 473 T C -0.736 173.990 174.700 0.044 0.000 0.982 473 T CA -0.325 61.799 62.100 0.041 0.000 0.978 473 T CB 1.336 70.239 68.868 0.059 0.000 0.930 473 T HN 0.398 nan 8.240 nan 0.000 0.447 474 V N 7.021 126.937 119.914 0.004 0.000 2.350 474 V HA 0.349 4.469 4.120 -0.000 0.000 0.285 474 V C -2.288 173.801 176.094 -0.009 0.000 1.014 474 V CA -2.155 60.157 62.300 0.020 0.000 0.831 474 V CB 1.391 33.148 31.823 -0.110 0.000 1.000 474 V HN 0.684 nan 8.190 nan 0.000 0.433 475 P HA 0.278 nan 4.420 nan 0.000 0.272 475 P C -0.254 177.042 177.300 -0.006 0.000 1.223 475 P CA -0.114 62.896 63.100 -0.150 0.000 0.784 475 P CB 0.639 32.072 31.700 -0.445 0.000 0.923 476 A N 2.149 124.973 122.820 0.006 0.000 2.498 476 A HA 0.070 4.390 4.320 -0.000 0.000 0.239 476 A C 1.270 178.869 177.584 0.024 0.000 1.068 476 A CA 0.080 52.123 52.037 0.011 0.000 0.766 476 A CB -0.229 18.752 19.000 -0.032 0.000 1.003 476 A HN 0.726 nan 8.150 nan 0.000 0.497 477 E N 1.485 121.701 120.200 0.027 0.000 2.132 477 E HA 0.021 4.370 4.350 -0.000 0.000 0.193 477 E C 0.219 176.826 176.600 0.011 0.000 0.951 477 E CA 0.685 57.106 56.400 0.036 0.000 0.843 477 E CB -0.192 29.536 29.700 0.047 0.000 0.807 477 E HN 0.848 nan 8.360 nan 0.000 0.467 478 E N 1.858 122.054 120.200 -0.008 0.000 2.191 478 E HA 0.434 4.784 4.350 -0.000 0.000 0.274 478 E C -2.622 173.945 176.600 -0.055 0.000 0.948 478 E CA -2.881 53.505 56.400 -0.023 0.000 0.802 478 E CB 1.156 30.844 29.700 -0.020 0.000 1.137 478 E HN -0.160 nan 8.360 nan 0.000 0.397 479 P HA 0.100 nan 4.420 nan 0.000 0.266 479 P C 0.639 177.864 177.300 -0.124 0.000 1.195 479 P CA 1.008 64.056 63.100 -0.087 0.000 0.768 479 P CB 0.755 32.425 31.700 -0.051 0.000 0.838 480 G N 0.784 109.456 108.800 -0.213 0.000 2.232 480 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.226 480 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.226 480 G C 0.397 175.046 174.900 -0.418 0.000 0.996 480 G CA -0.019 44.936 45.100 -0.241 0.000 0.626 480 G HN 0.602 nan 8.290 nan 0.000 0.509 481 S N 0.119 115.579 115.700 -0.399 0.000 2.651 481 S HA 0.866 5.336 4.470 -0.000 0.000 0.291 481 S C -0.506 173.760 174.600 -0.558 0.000 1.141 481 S CA -0.487 57.508 58.200 -0.340 0.000 1.027 481 S CB 1.128 64.275 63.200 -0.090 0.000 1.043 481 S HN 0.329 nan 8.310 nan 0.000 0.530 482 F N 0.702 120.671 119.950 0.032 0.000 2.557 482 F HA 0.686 5.213 4.527 -0.000 0.000 0.336 482 F C 0.670 176.487 175.800 0.029 0.000 1.058 482 F CA -1.306 56.716 58.000 0.037 0.000 0.988 482 F CB 0.494 39.518 39.000 0.039 0.000 1.275 482 F HN 0.587 nan 8.300 nan 0.000 0.488 483 A N 0.796 123.751 122.820 0.224 0.000 2.511 483 A HA 0.460 4.780 4.320 -0.000 0.000 0.242 483 A C -0.544 177.104 177.584 0.106 0.000 1.069 483 A CA -0.280 51.829 52.037 0.120 0.000 0.763 483 A CB -0.180 18.886 19.000 0.110 0.000 1.001 483 A HN 0.532 nan 8.150 nan 0.000 0.498 484 V N 4.009 123.957 119.914 0.057 0.000 2.394 484 V HA 0.355 4.475 4.120 -0.000 0.000 0.282 484 V C 0.672 176.776 176.094 0.016 0.000 1.031 484 V CA -0.464 61.858 62.300 0.036 0.000 0.881 484 V CB 1.203 33.034 31.823 0.014 0.000 0.982 484 V HN 0.947 nan 8.190 nan 0.000 0.451 485 R N 4.181 124.691 120.500 0.017 0.000 2.265 485 R HA 0.628 4.968 4.340 -0.000 0.000 0.319 485 R C -1.515 174.786 176.300 0.002 0.000 1.006 485 R CA -0.344 55.758 56.100 0.005 0.000 0.880 485 R CB 1.386 31.683 30.300 -0.004 0.000 1.077 485 R HN 0.521 nan 8.270 nan 0.000 0.454 486 V N 7.267 127.180 119.914 -0.002 0.000 2.350 486 V HA 0.378 4.498 4.120 -0.000 0.000 0.285 486 V C -0.094 176.007 176.094 0.012 0.000 1.014 486 V CA -0.619 61.690 62.300 0.016 0.000 0.831 486 V CB 1.405 33.232 31.823 0.007 0.000 1.000 486 V HN 0.728 nan 8.190 nan 0.000 0.433 487 I N 4.047 124.634 120.570 0.029 0.000 2.378 487 I HA 0.445 4.615 4.170 -0.000 0.000 0.291 487 I C 0.092 176.218 176.117 0.016 0.000 0.992 487 I CA -0.248 61.049 61.300 -0.005 0.000 1.154 487 I CB 1.771 39.748 38.000 -0.039 0.000 1.315 487 I HN 0.626 nan 8.210 nan 0.000 0.448 488 E N 7.629 127.825 120.200 -0.007 0.000 2.145 488 E HA 0.516 4.866 4.350 -0.000 0.000 0.270 488 E C -1.516 175.090 176.600 0.009 0.000 0.906 488 E CA -0.615 55.802 56.400 0.028 0.000 0.761 488 E CB 1.176 30.895 29.700 0.032 0.000 1.116 488 E HN 0.509 nan 8.360 nan 0.000 0.408 489 L N 4.564 125.798 121.223 0.018 0.000 2.317 489 L HA 0.507 4.847 4.340 -0.000 0.000 0.281 489 L C 0.045 176.944 176.870 0.049 0.000 1.024 489 L CA -1.179 53.628 54.840 -0.055 0.000 0.810 489 L CB 1.195 43.152 42.059 -0.171 0.000 1.240 489 L HN 0.679 nan 8.230 nan 0.000 0.427 490 C N -0.364 118.921 119.300 -0.024 0.000 2.365 490 C HA 0.426 4.886 4.460 -0.000 0.000 0.349 490 C C 1.937 176.783 174.990 -0.240 0.000 1.191 490 C CA -0.284 58.608 59.018 -0.210 0.000 2.114 490 C CB 1.158 28.831 27.740 -0.112 0.000 2.367 490 C HN 0.995 nan 8.230 nan 0.000 0.530 491 S N 1.977 117.473 115.700 -0.340 0.000 2.400 491 S HA -0.265 4.205 4.470 -0.000 0.000 0.234 491 S C 1.630 176.103 174.600 -0.212 0.000 1.049 491 S CA 2.084 60.112 58.200 -0.286 0.000 1.039 491 S CB -1.357 61.668 63.200 -0.292 0.000 0.856 491 S HN 1.366 nan 8.310 nan 0.000 0.465 492 S N 1.941 117.539 115.700 -0.169 0.000 2.500 492 S HA -0.096 4.374 4.470 -0.000 0.000 0.239 492 S C 1.782 176.300 174.600 -0.138 0.000 0.989 492 S CA 1.150 59.268 58.200 -0.136 0.000 0.951 492 S CB -1.433 61.712 63.200 -0.091 0.000 0.759 492 S HN 0.855 nan 8.310 nan 0.000 0.523 493 T N -1.006 113.479 114.554 -0.115 0.000 3.160 493 T HA 0.164 4.514 4.350 -0.000 0.000 0.257 493 T C 0.793 175.397 174.700 -0.160 0.000 1.147 493 T CA 0.313 62.381 62.100 -0.055 0.000 1.064 493 T CB -0.656 68.238 68.868 0.043 0.000 0.949 493 T HN 0.262 nan 8.240 nan 0.000 0.526 494 M N 1.623 121.077 119.600 -0.244 0.000 2.537 494 M HA -0.144 4.336 4.480 -0.000 0.000 0.205 494 M C 0.825 177.029 176.300 -0.159 0.000 0.450 494 M CA 1.370 56.475 55.300 -0.326 0.000 0.553 494 M CB -3.359 28.739 32.600 -0.836 0.000 2.046 494 M HN 0.739 nan 8.290 nan 0.000 0.797 495 T N -3.419 111.068 114.554 -0.110 0.000 3.040 495 T HA 0.441 4.791 4.350 -0.000 0.000 0.266 495 T C 0.596 175.193 174.700 -0.172 0.000 1.005 495 T CA 0.441 62.530 62.100 -0.017 0.000 0.906 495 T CB 0.331 69.272 68.868 0.121 0.000 1.082 495 T HN 0.897 nan 8.240 nan 0.000 0.531 496 C N 1.285 120.315 119.300 -0.451 0.000 3.285 496 C HA 0.831 5.291 4.460 -0.000 0.000 0.325 496 C C 0.048 174.462 174.990 -0.959 0.000 1.304 496 C CA -1.724 56.639 59.018 -1.092 0.000 1.319 496 C CB 1.036 28.406 27.740 -0.617 0.000 1.640 496 C HN 0.690 nan 8.230 nan 0.000 0.477 497 M N 1.233 120.085 119.600 -1.246 0.000 2.198 497 M HA 0.412 4.892 4.480 -0.000 0.000 0.315 497 M C -0.130 175.961 176.300 -0.348 0.000 1.134 497 M CA 0.427 55.400 55.300 -0.546 0.000 1.171 497 M CB 0.193 32.618 32.600 -0.292 0.000 1.413 497 M HN 0.732 nan 8.290 nan 0.000 0.467 498 K N 0.767 121.030 120.400 -0.228 0.000 2.448 498 K HA 0.280 4.600 4.320 -0.000 0.000 0.278 498 K C 0.862 177.374 176.600 -0.146 0.000 1.009 498 K CA 0.981 57.158 56.287 -0.183 0.000 0.995 498 K CB 0.232 32.656 32.500 -0.127 0.000 0.917 498 K HN 1.008 nan 8.250 nan 0.000 0.481 499 G N 1.237 109.946 108.800 -0.151 0.000 2.176 499 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.232 499 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.232 499 G C 0.179 175.041 174.900 -0.064 0.000 0.986 499 G CA 0.345 45.395 45.100 -0.083 0.000 0.643 499 G HN 0.766 nan 8.290 nan 0.000 0.522 500 T N -2.472 111.993 114.554 -0.148 0.000 2.864 500 T HA 0.774 5.124 4.350 -0.000 0.000 0.289 500 T C -0.846 173.723 174.700 -0.218 0.000 1.082 500 T CA -0.951 61.115 62.100 -0.056 0.000 1.009 500 T CB 2.710 71.589 68.868 0.018 0.000 1.234 500 T HN 0.514 nan 8.240 nan 0.000 0.526 501 Y N -0.576 119.723 120.300 -0.001 0.000 2.545 501 Y HA 0.714 5.264 4.550 -0.000 0.000 0.348 501 Y C -0.822 175.069 175.900 -0.014 0.000 1.002 501 Y CA -1.337 56.754 58.100 -0.016 0.000 1.039 501 Y CB 2.140 40.611 38.460 0.020 0.000 1.271 501 Y HN 0.670 nan 8.280 nan 0.000 0.467 502 L N 3.260 124.552 121.223 0.115 0.000 2.294 502 L HA 0.685 5.025 4.340 -0.000 0.000 0.283 502 L C -1.415 175.423 176.870 -0.053 0.000 1.015 502 L CA -0.627 54.226 54.840 0.022 0.000 0.831 502 L CB 0.875 42.943 42.059 0.015 0.000 1.217 502 L HN 0.410 nan 8.230 nan 0.000 0.420 503 V N 4.917 124.756 119.914 -0.125 0.000 2.398 503 V HA 0.473 4.593 4.120 -0.000 0.000 0.286 503 V C -0.341 175.625 176.094 -0.213 0.000 1.026 503 V CA -0.690 61.543 62.300 -0.112 0.000 0.868 503 V CB 1.297 33.070 31.823 -0.083 0.000 0.982 503 V HN 0.609 nan 8.190 nan 0.000 0.443 504 H N 4.932 123.999 119.070 -0.004 0.000 2.466 504 H HA 0.615 5.171 4.556 -0.000 0.000 0.338 504 H C -1.074 174.241 175.328 -0.023 0.000 1.091 504 H CA -0.524 55.518 56.048 -0.011 0.000 1.207 504 H CB 2.105 31.865 29.762 -0.004 0.000 1.466 504 H HN 0.370 nan 8.280 nan 0.000 0.493 505 L N 2.553 123.825 121.223 0.083 0.000 2.346 505 L HA 0.436 4.776 4.340 -0.000 0.000 0.276 505 L C 0.259 177.132 176.870 0.007 0.000 1.006 505 L CA -0.271 54.591 54.840 0.036 0.000 0.817 505 L CB 2.123 44.195 42.059 0.023 0.000 1.272 505 L HN 0.578 nan 8.230 nan 0.000 0.421 506 T N 0.727 115.280 114.554 -0.000 0.000 2.916 506 T HA 0.732 5.082 4.350 -0.000 0.000 0.305 506 T C -1.198 173.499 174.700 -0.005 0.000 1.119 506 T CA -0.724 61.360 62.100 -0.027 0.000 1.008 506 T CB 1.815 70.659 68.868 -0.040 0.000 1.129 506 T HN 0.878 nan 8.240 nan 0.000 0.480 507 C N 1.808 121.100 119.300 -0.012 0.000 3.292 507 C HA 0.690 5.150 4.460 -0.000 0.000 0.368 507 C C -0.364 174.609 174.990 -0.028 0.000 1.141 507 C CA -1.205 57.824 59.018 0.018 0.000 1.194 507 C CB 0.025 27.814 27.740 0.082 0.000 1.533 507 C HN 1.146 nan 8.230 nan 0.000 0.532 508 M N 3.822 123.355 119.600 -0.112 0.000 2.290 508 M HA 0.229 4.708 4.480 -0.000 0.000 0.356 508 M C 0.707 176.923 176.300 -0.140 0.000 1.448 508 M CA 1.112 56.223 55.300 -0.316 0.000 0.993 508 M CB 0.590 32.644 32.600 -0.911 0.000 1.934 508 M HN 0.933 nan 8.290 nan 0.000 0.461 509 S N 3.207 118.869 115.700 -0.064 0.000 2.572 509 S HA 0.057 4.527 4.470 -0.000 0.000 0.279 509 S C 0.629 175.338 174.600 0.181 0.000 1.341 509 S CA -0.477 57.761 58.200 0.064 0.000 1.043 509 S CB 1.536 64.768 63.200 0.054 0.000 0.887 509 S HN 0.867 nan 8.310 nan 0.000 0.516 510 S N 2.000 117.821 115.700 0.202 0.000 3.066 510 S HA 0.302 4.772 4.470 -0.000 0.000 0.235 510 S C 0.657 175.321 174.600 0.106 0.000 0.995 510 S CA 0.176 58.500 58.200 0.207 0.000 0.835 510 S CB 0.048 63.347 63.200 0.165 0.000 0.814 510 S HN 0.643 nan 8.310 nan 0.000 0.594 511 K N 0.309 120.746 120.400 0.062 0.000 2.041 511 K HA 0.375 4.694 4.320 -0.000 0.000 0.277 511 K C -0.181 176.408 176.600 -0.019 0.000 0.965 511 K CA -0.176 56.117 56.287 0.009 0.000 1.138 511 K CB -0.145 32.344 32.500 -0.018 0.000 3.194 511 K HN 0.397 nan 8.250 nan 0.000 1.085 512 T N -1.399 113.095 114.554 -0.100 0.000 2.849 512 T HA 0.333 4.683 4.350 -0.000 0.000 0.284 512 T C 1.241 175.925 174.700 -0.027 0.000 1.004 512 T CA -0.147 61.871 62.100 -0.137 0.000 1.021 512 T CB 1.337 70.008 68.868 -0.330 0.000 1.013 512 T HN 0.494 nan 8.240 nan 0.000 0.527 513 A N 1.059 123.906 122.820 0.045 0.000 1.892 513 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 513 A C 2.501 180.121 177.584 0.060 0.000 1.188 513 A CA 2.047 54.138 52.037 0.089 0.000 0.631 513 A CB -0.964 18.128 19.000 0.152 0.000 0.822 513 A HN 0.960 nan 8.150 nan 0.000 0.447 514 R N -0.247 120.193 120.500 -0.099 0.000 2.075 514 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 514 R C 2.101 178.245 176.300 -0.260 0.000 1.126 514 R CA 1.697 57.518 56.100 -0.464 0.000 0.963 514 R CB -0.280 29.724 30.300 -0.493 0.000 0.858 514 R HN 0.722 nan 8.270 nan 0.000 0.435 515 E N 0.110 120.222 120.200 -0.147 0.000 2.110 515 E HA -0.182 4.167 4.350 -0.000 0.000 0.193 515 E C 1.525 178.097 176.600 -0.048 0.000 0.988 515 E CA 1.282 57.625 56.400 -0.096 0.000 0.804 515 E CB -0.042 29.612 29.700 -0.077 0.000 0.745 515 E HN 0.395 nan 8.360 nan 0.000 0.458 516 D N 0.323 120.713 120.400 -0.016 0.000 2.149 516 D HA -0.060 4.579 4.640 -0.000 0.000 0.201 516 D C 1.888 178.214 176.300 0.043 0.000 0.972 516 D CA 0.953 54.970 54.000 0.028 0.000 0.835 516 D CB 0.152 40.986 40.800 0.057 0.000 0.966 516 D HN 0.170 nan 8.370 nan 0.000 0.476 517 L N -0.208 121.055 121.223 0.065 0.000 2.537 517 L HA 0.183 4.523 4.340 -0.000 0.000 0.224 517 L C 2.152 179.110 176.870 0.147 0.000 1.065 517 L CA 0.027 54.943 54.840 0.127 0.000 0.860 517 L CB 0.029 42.223 42.059 0.225 0.000 1.086 517 L HN -0.121 nan 8.230 nan 0.000 0.482 518 E N 1.379 121.616 120.200 0.063 0.000 2.130 518 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 518 E C 2.171 178.789 176.600 0.031 0.000 0.998 518 E CA 1.426 57.849 56.400 0.038 0.000 0.806 518 E CB 0.168 29.762 29.700 -0.176 0.000 0.738 518 E HN 0.384 nan 8.360 nan 0.000 0.459 519 R N -0.127 120.377 120.500 0.006 0.000 2.096 519 R HA -0.158 4.182 4.340 -0.000 0.000 0.240 519 R C 2.451 178.757 176.300 0.009 0.000 1.139 519 R CA 1.726 57.829 56.100 0.005 0.000 0.952 519 R CB -0.603 29.700 30.300 0.005 0.000 0.854 519 R HN 0.108 nan 8.270 nan 0.000 0.436 520 V N 0.894 120.811 119.914 0.005 0.000 2.358 520 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 520 V C 2.419 178.510 176.094 -0.005 0.000 1.047 520 V CA 1.457 63.726 62.300 -0.053 0.000 1.035 520 V CB -0.304 31.480 31.823 -0.065 0.000 0.658 520 V HN 0.130 nan 8.190 nan 0.000 0.452 521 V N -0.487 119.489 119.914 0.104 0.000 2.295 521 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 521 V C 2.517 178.726 176.094 0.192 0.000 1.049 521 V CA 2.214 64.652 62.300 0.230 0.000 1.024 521 V CB -0.690 31.273 31.823 0.234 0.000 0.648 521 V HN 0.490 nan 8.190 nan 0.000 0.447 522 Q N 0.274 120.127 119.800 0.089 0.000 2.152 522 Q HA -0.210 4.129 4.340 -0.000 0.000 0.206 522 Q C 2.161 178.169 176.000 0.012 0.000 0.985 522 Q CA 1.819 57.644 55.803 0.037 0.000 0.863 522 Q CB -0.305 28.436 28.738 0.004 0.000 0.904 522 Q HN 0.600 nan 8.270 nan 0.000 0.422 523 K N -0.805 119.592 120.400 -0.005 0.000 2.155 523 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 523 K C 1.842 178.392 176.600 -0.083 0.000 1.052 523 K CA 0.945 57.228 56.287 -0.007 0.000 0.948 523 K CB 0.086 32.612 32.500 0.043 0.000 0.728 523 K HN 0.238 nan 8.250 nan 0.000 0.448 524 L N -0.659 120.434 121.223 -0.217 0.000 2.298 524 L HA 0.150 4.489 4.340 -0.000 0.000 0.209 524 L C 0.337 176.734 176.870 -0.788 0.000 1.084 524 L CA 0.244 54.756 54.840 -0.546 0.000 0.816 524 L CB 0.182 41.754 42.059 -0.812 0.000 0.967 524 L HN -0.040 nan 8.230 nan 0.000 0.460 525 F N -1.648 118.279 119.950 -0.039 0.000 2.598 525 F HA 0.480 5.007 4.527 -0.000 0.000 0.327 525 F C 0.206 175.972 175.800 -0.057 0.000 1.057 525 F CA -0.829 57.148 58.000 -0.037 0.000 0.957 525 F CB 1.791 40.775 39.000 -0.027 0.000 1.278 525 F HN -0.474 nan 8.300 nan 0.000 0.484 526 T N 2.213 116.851 114.554 0.140 0.000 2.848 526 T HA 0.493 4.843 4.350 -0.000 0.000 0.285 526 T C -2.897 171.781 174.700 -0.037 0.000 0.995 526 T CA -2.290 59.818 62.100 0.014 0.000 0.970 526 T CB 1.302 70.168 68.868 -0.004 0.000 0.976 526 T HN 0.128 nan 8.240 nan 0.000 0.441 527 P HA 0.051 nan 4.420 nan 0.000 0.264 527 P C -1.001 176.235 177.300 -0.107 0.000 1.193 527 P CA -0.117 62.745 63.100 -0.398 0.000 0.763 527 P CB 0.003 31.291 31.700 -0.688 0.000 0.810 528 Y N 4.029 124.290 120.300 -0.064 0.000 2.702 528 Y HA 0.224 4.774 4.550 -0.000 0.000 0.336 528 Y C 0.585 176.522 175.900 0.060 0.000 1.235 528 Y CA 0.999 59.130 58.100 0.052 0.000 1.492 528 Y CB 0.307 38.849 38.460 0.137 0.000 1.308 528 Y HN 0.506 nan 8.280 nan 0.000 0.589 529 T N 2.005 116.136 114.554 -0.704 0.000 2.816 529 T HA 0.319 4.669 4.350 -0.000 0.000 0.299 529 T C -0.637 173.705 174.700 -0.598 0.000 1.230 529 T CA -1.084 60.767 62.100 -0.416 0.000 1.007 529 T CB 1.683 70.439 68.868 -0.185 0.000 1.289 529 T HN 0.581 nan 8.240 nan 0.000 0.508 530 E N 0.992 121.060 120.200 -0.220 0.000 2.336 530 E HA 0.330 4.680 4.350 -0.000 0.000 0.214 530 E C -0.426 176.121 176.600 -0.087 0.000 1.144 530 E CA -0.076 56.254 56.400 -0.116 0.000 1.294 530 E CB -0.199 29.511 29.700 0.016 0.000 1.263 530 E HN 0.563 nan 8.360 nan 0.000 0.439 531 I N 1.426 121.919 120.570 -0.127 0.000 2.390 531 I HA 0.139 4.309 4.170 -0.000 0.000 0.283 531 I C 0.456 176.525 176.117 -0.080 0.000 1.016 531 I CA -0.709 60.543 61.300 -0.079 0.000 1.151 531 I CB 1.353 39.311 38.000 -0.070 0.000 1.293 531 I HN -0.282 nan 8.210 nan 0.000 0.458 532 E N 5.013 125.183 120.200 -0.050 0.000 2.299 532 E HA 0.327 4.677 4.350 -0.000 0.000 0.272 532 E C -0.086 176.496 176.600 -0.030 0.000 1.043 532 E CA -0.082 56.296 56.400 -0.037 0.000 0.895 532 E CB 1.591 31.281 29.700 -0.017 0.000 1.011 532 E HN 0.670 nan 8.360 nan 0.000 0.432 533 A N 3.868 126.670 122.820 -0.030 0.000 2.304 533 A HA 0.145 4.465 4.320 -0.000 0.000 0.271 533 A C 1.228 178.804 177.584 -0.012 0.000 1.091 533 A CA -0.409 51.615 52.037 -0.022 0.000 0.812 533 A CB 0.450 19.436 19.000 -0.023 0.000 1.056 533 A HN 0.596 nan 8.150 nan 0.000 0.489 534 E N 0.273 120.467 120.200 -0.010 0.000 2.130 534 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 534 E C 0.280 176.879 176.600 -0.003 0.000 0.998 534 E CA 1.615 58.011 56.400 -0.006 0.000 0.806 534 E CB -0.037 29.659 29.700 -0.006 0.000 0.738 534 E HN 0.689 nan 8.360 nan 0.000 0.459 535 N N -0.132 118.566 118.700 -0.003 0.000 2.699 535 N HA -0.015 4.725 4.740 -0.000 0.000 0.271 535 N C 0.259 175.771 175.510 0.003 0.000 1.216 535 N CA -0.094 52.957 53.050 0.001 0.000 0.844 535 N CB 0.982 39.469 38.487 0.002 0.000 1.462 535 N HN -0.262 nan 8.380 nan 0.000 0.555 536 E N 1.267 121.471 120.200 0.007 0.000 2.118 536 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 536 E C 1.244 177.853 176.600 0.015 0.000 0.992 536 E CA 1.319 57.726 56.400 0.012 0.000 0.804 536 E CB 0.241 29.955 29.700 0.023 0.000 0.741 536 E HN 0.690 nan 8.360 nan 0.000 0.458 537 Q N -0.072 119.738 119.800 0.016 0.000 2.217 537 Q HA -0.141 4.199 4.340 -0.000 0.000 0.209 537 Q C 2.115 178.120 176.000 0.008 0.000 0.988 537 Q CA 1.187 57.000 55.803 0.016 0.000 0.878 537 Q CB -0.129 28.618 28.738 0.015 0.000 0.909 537 Q HN 0.212 nan 8.270 nan 0.000 0.424 538 V N 0.074 119.990 119.914 0.003 0.000 3.650 538 V HA 0.004 4.124 4.120 -0.000 0.000 0.271 538 V C 0.799 176.889 176.094 -0.007 0.000 1.281 538 V CA 0.094 62.393 62.300 -0.003 0.000 1.120 538 V CB 0.172 31.992 31.823 -0.004 0.000 0.856 538 V HN 0.138 nan 8.190 nan 0.000 0.443 539 E N 1.229 121.427 120.200 -0.003 0.000 2.374 539 E HA 0.241 4.591 4.350 -0.000 0.000 0.260 539 E C 0.200 176.796 176.600 -0.007 0.000 1.101 539 E CA -0.211 56.185 56.400 -0.006 0.000 0.907 539 E CB 0.573 30.272 29.700 -0.003 0.000 1.014 539 E HN 0.345 nan 8.360 nan 0.000 0.427 540 K N 3.517 123.909 120.400 -0.014 0.000 2.276 540 K HA 0.181 4.501 4.320 -0.000 0.000 0.259 540 K C -2.021 174.590 176.600 0.018 0.000 1.001 540 K CA -1.298 54.972 56.287 -0.029 0.000 0.927 540 K CB -0.034 32.437 32.500 -0.048 0.000 0.969 540 K HN 0.496 nan 8.250 nan 0.000 0.490 541 P HA 0.007 nan 4.420 nan 0.000 0.269 541 P C -0.813 176.622 177.300 0.225 0.000 1.215 541 P CA 0.005 63.189 63.100 0.140 0.000 0.780 541 P CB 0.628 32.437 31.700 0.181 0.000 0.898 542 R N 1.431 122.060 120.500 0.215 0.000 2.357 542 R HA 0.370 4.710 4.340 -0.000 0.000 0.296 542 R C -0.173 176.260 176.300 0.222 0.000 1.052 542 R CA -1.049 55.182 56.100 0.218 0.000 0.988 542 R CB 0.059 30.515 30.300 0.260 0.000 1.025 542 R HN 0.445 nan 8.270 nan 0.000 0.469 543 L N 4.397 125.724 121.223 0.173 0.000 2.257 543 L HA 0.228 4.568 4.340 -0.000 0.000 0.290 543 L C 0.546 177.581 176.870 0.275 0.000 1.044 543 L CA 0.310 55.220 54.840 0.116 0.000 0.810 543 L CB 0.726 42.790 42.059 0.008 0.000 1.193 543 L HN 0.669 nan 8.230 nan 0.000 0.425 544 L N 3.981 125.366 121.223 0.270 0.000 2.253 544 L HA 0.245 4.585 4.340 -0.000 0.000 0.205 544 L C -0.348 176.781 176.870 0.431 0.000 1.078 544 L CA 0.108 55.121 54.840 0.288 0.000 0.805 544 L CB 0.072 42.215 42.059 0.140 0.000 0.963 544 L HN 0.615 nan 8.230 nan 0.000 0.459 545 W N -0.072 121.328 121.300 0.166 0.000 3.439 545 W HA 0.611 5.271 4.660 -0.000 0.000 0.323 545 W C -1.483 175.109 176.519 0.122 0.000 1.174 545 W CA -0.664 56.760 57.345 0.131 0.000 1.224 545 W CB 1.353 30.871 29.460 0.097 0.000 1.348 545 W HN -0.209 nan 8.180 nan 0.000 0.498 546 A N 5.082 127.685 122.820 -0.362 0.000 2.414 546 A HA 0.839 5.159 4.320 -0.000 0.000 0.306 546 A C -2.414 174.733 177.584 -0.727 0.000 1.054 546 A CA -0.696 51.127 52.037 -0.357 0.000 0.724 546 A CB 1.725 20.712 19.000 -0.023 0.000 1.267 546 A HN 1.033 nan 8.150 nan 0.000 0.418 547 L N 1.285 122.168 121.223 -0.567 0.000 2.410 547 L HA 0.854 5.194 4.340 -0.000 0.000 0.270 547 L C -2.015 174.735 176.870 -0.200 0.000 0.983 547 L CA -0.412 54.236 54.840 -0.320 0.000 0.822 547 L CB 1.427 43.430 42.059 -0.093 0.000 1.285 547 L HN 0.622 nan 8.230 nan 0.000 0.409 548 Y N 5.363 125.754 120.300 0.152 0.000 2.462 548 Y HA 0.798 5.348 4.550 -0.000 0.000 0.346 548 Y C -0.605 175.455 175.900 0.266 0.000 0.976 548 Y CA -0.531 57.653 58.100 0.140 0.000 1.044 548 Y CB 2.058 40.597 38.460 0.133 0.000 1.230 548 Y HN 0.634 nan 8.280 nan 0.000 0.455 549 F N -0.745 119.361 119.950 0.259 0.000 2.746 549 F HA 0.563 5.090 4.527 -0.000 0.000 0.311 549 F C -2.195 173.697 175.800 0.154 0.000 1.135 549 F CA -1.411 56.702 58.000 0.189 0.000 0.954 549 F CB 0.973 40.081 39.000 0.181 0.000 1.276 549 F HN 0.329 nan 8.300 nan 0.000 0.440 550 N N 2.535 121.418 118.700 0.307 0.000 2.443 550 N HA 0.663 5.402 4.740 -0.000 0.000 0.295 550 N C -1.206 174.459 175.510 0.260 0.000 1.076 550 N CA -0.729 52.428 53.050 0.178 0.000 0.919 550 N CB 1.815 40.421 38.487 0.199 0.000 1.176 550 N HN 0.864 nan 8.380 nan 0.000 0.487 551 M N 1.347 121.046 119.600 0.166 0.000 2.456 551 M HA 0.387 4.867 4.480 -0.000 0.000 0.324 551 M C -0.394 175.924 176.300 0.030 0.000 1.124 551 M CA -0.858 54.529 55.300 0.146 0.000 0.959 551 M CB 1.538 34.257 32.600 0.199 0.000 1.692 551 M HN 0.487 nan 8.290 nan 0.000 0.444 552 R N 2.482 122.964 120.500 -0.030 0.000 2.623 552 R HA 0.036 4.376 4.340 -0.000 0.000 0.271 552 R C -1.169 175.112 176.300 -0.033 0.000 1.043 552 R CA 0.244 56.295 56.100 -0.081 0.000 1.083 552 R CB 0.480 30.630 30.300 -0.249 0.000 0.974 552 R HN 0.666 nan 8.270 nan 0.000 0.436 553 D N 2.087 122.503 120.400 0.026 0.000 2.461 553 D HA 0.084 4.724 4.640 -0.000 0.000 0.240 553 D C -0.213 176.203 176.300 0.193 0.000 1.094 553 D CA -0.379 53.663 54.000 0.071 0.000 0.868 553 D CB 1.304 42.130 40.800 0.043 0.000 1.062 553 D HN 0.547 nan 8.370 nan 0.000 0.530 554 S N 1.348 117.180 115.700 0.220 0.000 2.568 554 S HA 0.142 4.612 4.470 -0.000 0.000 0.232 554 S C 0.642 175.401 174.600 0.264 0.000 0.975 554 S CA -0.517 57.905 58.200 0.371 0.000 0.949 554 S CB -0.376 63.077 63.200 0.421 0.000 0.829 554 S HN 0.322 nan 8.310 nan 0.000 0.479 555 S N 1.382 117.195 115.700 0.188 0.000 2.593 555 S HA 0.318 4.788 4.470 -0.000 0.000 0.269 555 S C -0.161 174.516 174.600 0.128 0.000 1.334 555 S CA -0.278 58.018 58.200 0.160 0.000 1.015 555 S CB -0.045 63.236 63.200 0.134 0.000 0.912 555 S HN 0.303 nan 8.310 nan 0.000 0.541 556 D N -0.229 120.241 120.400 0.116 0.000 2.708 556 D HA -0.142 4.498 4.640 -0.000 0.000 0.236 556 D C -0.759 175.589 176.300 0.079 0.000 1.146 556 D CA 0.925 54.977 54.000 0.087 0.000 0.662 556 D CB -1.607 39.231 40.800 0.064 0.000 1.059 556 D HN 0.656 nan 8.370 nan 0.000 0.428 557 I N 0.507 121.143 120.570 0.110 0.000 2.362 557 I HA 0.101 4.271 4.170 -0.000 0.000 0.289 557 I C 0.761 176.945 176.117 0.112 0.000 0.994 557 I CA -0.590 60.755 61.300 0.076 0.000 1.158 557 I CB 1.634 39.674 38.000 0.067 0.000 1.315 557 I HN -0.205 nan 8.210 nan 0.000 0.451 558 S N 5.391 121.125 115.700 0.057 0.000 2.558 558 S HA 0.044 4.514 4.470 -0.000 0.000 0.288 558 S C 1.405 176.092 174.600 0.145 0.000 1.318 558 S CA -0.331 57.916 58.200 0.079 0.000 1.056 558 S CB 0.840 64.062 63.200 0.036 0.000 0.853 558 S HN 0.625 nan 8.310 nan 0.000 0.505 559 R N 2.121 122.725 120.500 0.173 0.000 2.103 559 R HA -0.189 4.151 4.340 -0.000 0.000 0.242 559 R C 1.013 177.454 176.300 0.235 0.000 1.142 559 R CA 2.252 58.493 56.100 0.235 0.000 0.960 559 R CB -0.712 29.673 30.300 0.140 0.000 0.858 559 R HN 0.849 nan 8.270 nan 0.000 0.439 560 D N -0.960 119.510 120.400 0.118 0.000 2.371 560 D HA -0.087 4.553 4.640 -0.000 0.000 0.221 560 D C 1.511 177.827 176.300 0.028 0.000 0.986 560 D CA 0.382 54.425 54.000 0.072 0.000 0.899 560 D CB -0.537 40.286 40.800 0.037 0.000 0.902 560 D HN 0.148 nan 8.370 nan 0.000 0.530 561 C N -0.382 118.899 119.300 -0.032 0.000 2.448 561 C HA 0.022 4.482 4.460 -0.000 0.000 0.280 561 C C 0.449 175.292 174.990 -0.245 0.000 1.398 561 C CA -0.217 58.690 59.018 -0.186 0.000 1.774 561 C CB -1.463 26.078 27.740 -0.331 0.000 1.888 561 C HN 0.276 nan 8.230 nan 0.000 0.519 562 Y N 1.953 122.246 120.300 -0.011 0.000 2.299 562 Y HA 0.251 4.801 4.550 -0.000 0.000 0.326 562 Y C 0.659 176.555 175.900 -0.008 0.000 1.164 562 Y CA -0.212 57.886 58.100 -0.002 0.000 1.234 562 Y CB 0.277 38.746 38.460 0.015 0.000 1.219 562 Y HN 0.178 nan 8.280 nan 0.000 0.497 563 N N 3.264 122.046 118.700 0.137 0.000 2.529 563 N HA 0.018 4.758 4.740 -0.000 0.000 0.278 563 N C -0.554 174.990 175.510 0.057 0.000 1.146 563 N CA -0.119 52.973 53.050 0.071 0.000 0.980 563 N CB 0.556 39.070 38.487 0.045 0.000 1.124 563 N HN 0.654 nan 8.380 nan 0.000 0.458 564 D N 0.380 120.797 120.400 0.029 0.000 2.730 564 D HA -0.205 4.435 4.640 -0.000 0.000 0.227 564 D C -0.518 175.772 176.300 -0.015 0.000 1.196 564 D CA 0.675 54.678 54.000 0.004 0.000 0.620 564 D CB -0.766 40.033 40.800 -0.001 0.000 1.012 564 D HN 0.244 nan 8.370 nan 0.000 0.411 565 L N 0.649 121.865 121.223 -0.013 0.000 2.264 565 L HA 0.353 4.693 4.340 -0.000 0.000 0.289 565 L C -1.652 175.168 176.870 -0.084 0.000 1.044 565 L CA -1.628 53.178 54.840 -0.057 0.000 0.807 565 L CB 0.736 42.762 42.059 -0.055 0.000 1.192 565 L HN -0.204 nan 8.230 nan 0.000 0.425 566 P HA 0.011 nan 4.420 nan 0.000 0.269 566 P C 0.669 177.884 177.300 -0.142 0.000 1.205 566 P CA 0.127 63.158 63.100 -0.116 0.000 0.780 566 P CB 0.513 32.129 31.700 -0.141 0.000 0.858 567 S N 0.758 116.391 115.700 -0.113 0.000 2.442 567 S HA -0.159 4.311 4.470 -0.000 0.000 0.236 567 S C 1.150 175.603 174.600 -0.247 0.000 1.007 567 S CA 1.119 59.239 58.200 -0.133 0.000 0.965 567 S CB -0.864 62.305 63.200 -0.052 0.000 0.773 567 S HN 0.620 nan 8.310 nan 0.000 0.504 568 N N 1.151 119.744 118.700 -0.177 0.000 2.322 568 N HA 0.109 4.849 4.740 -0.000 0.000 0.216 568 N C -0.562 174.833 175.510 -0.192 0.000 1.144 568 N CA -0.184 52.796 53.050 -0.116 0.000 0.830 568 N CB 0.129 38.677 38.487 0.102 0.000 1.034 568 N HN 0.326 nan 8.380 nan 0.000 0.484 569 V N 1.750 121.406 119.914 -0.430 0.000 2.409 569 V HA 0.380 4.500 4.120 -0.000 0.000 0.291 569 V C -1.009 174.792 176.094 -0.488 0.000 1.020 569 V CA -0.771 61.378 62.300 -0.252 0.000 0.848 569 V CB 0.458 32.176 31.823 -0.175 0.000 0.990 569 V HN 0.059 nan 8.190 nan 0.000 0.430 570 Y N 2.941 123.278 120.300 0.063 0.000 2.487 570 Y HA 0.739 5.288 4.550 -0.000 0.000 0.337 570 Y C 0.075 175.958 175.900 -0.028 0.000 1.076 570 Y CA -1.123 56.988 58.100 0.017 0.000 1.115 570 Y CB 1.903 40.379 38.460 0.026 0.000 1.235 570 Y HN 0.326 nan 8.280 nan 0.000 0.468 571 V N 1.671 121.631 119.914 0.077 0.000 2.495 571 V HA 0.378 4.498 4.120 -0.000 0.000 0.298 571 V C -0.629 175.503 176.094 0.063 0.000 1.031 571 V CA -0.934 61.349 62.300 -0.029 0.000 0.871 571 V CB 1.382 33.021 31.823 -0.307 0.000 0.988 571 V HN 0.880 nan 8.190 nan 0.000 0.432 572 C N 3.660 123.012 119.300 0.087 0.000 2.376 572 C HA 0.694 5.154 4.460 -0.000 0.000 0.335 572 C C 1.000 176.101 174.990 0.184 0.000 1.229 572 C CA -0.569 58.526 59.018 0.129 0.000 1.867 572 C CB 1.220 29.031 27.740 0.119 0.000 2.319 572 C HN 1.026 nan 8.230 nan 0.000 0.515 573 S N 2.408 118.237 115.700 0.215 0.000 2.681 573 S HA 0.733 5.203 4.470 -0.000 0.000 0.270 573 S C 0.375 175.172 174.600 0.328 0.000 1.209 573 S CA -0.051 58.308 58.200 0.264 0.000 0.988 573 S CB 0.902 64.251 63.200 0.248 0.000 1.006 573 S HN 1.014 nan 8.310 nan 0.000 0.558 574 G N 0.148 109.130 108.800 0.303 0.000 2.543 574 G HA2 0.599 4.559 3.960 -0.000 0.000 0.267 574 G HA3 0.599 4.559 3.960 -0.000 0.000 0.267 574 G C -2.695 172.373 174.900 0.279 0.000 1.406 574 G CA -1.709 43.589 45.100 0.329 0.000 1.048 574 G HN 0.681 nan 8.290 nan 0.000 0.548 575 P HA 0.193 nan 4.420 nan 0.000 0.276 575 P C -0.929 176.301 177.300 -0.117 0.000 1.252 575 P CA -0.245 62.624 63.100 -0.385 0.000 0.802 575 P CB 1.425 32.337 31.700 -1.313 0.000 1.035 576 D N -0.751 119.629 120.400 -0.033 0.000 2.478 576 D HA 0.065 4.705 4.640 -0.000 0.000 0.263 576 D C 0.855 177.125 176.300 -0.050 0.000 1.153 576 D CA -0.504 53.495 54.000 -0.002 0.000 1.038 576 D CB 0.685 41.519 40.800 0.058 0.000 1.120 576 D HN 0.345 nan 8.370 nan 0.000 0.564 577 S N -1.327 114.348 115.700 -0.042 0.000 2.562 577 S HA 0.171 4.641 4.470 -0.000 0.000 0.221 577 S C 1.256 175.841 174.600 -0.025 0.000 0.975 577 S CA -0.171 57.995 58.200 -0.057 0.000 0.918 577 S CB -0.502 62.644 63.200 -0.089 0.000 0.772 577 S HN 0.689 nan 8.310 nan 0.000 0.531 578 G N 1.228 110.034 108.800 0.009 0.000 2.634 578 G HA2 0.412 4.372 3.960 -0.000 0.000 0.255 578 G HA3 0.412 4.372 3.960 -0.000 0.000 0.255 578 G C 0.500 175.431 174.900 0.051 0.000 1.205 578 G CA -0.437 44.691 45.100 0.046 0.000 0.884 578 G HN 0.323 nan 8.290 nan 0.000 0.549 579 L N 0.354 121.620 121.223 0.073 0.000 2.291 579 L HA 0.291 4.631 4.340 -0.000 0.000 0.214 579 L C 1.356 178.275 176.870 0.082 0.000 1.120 579 L CA 1.568 56.431 54.840 0.038 0.000 0.799 579 L CB -0.608 41.459 42.059 0.013 0.000 0.925 579 L HN 0.578 nan 8.230 nan 0.000 0.446 580 G N -1.612 107.290 108.800 0.170 0.000 2.644 580 G HA2 0.210 4.170 3.960 -0.000 0.000 0.307 580 G HA3 0.210 4.170 3.960 -0.000 0.000 0.307 580 G C -0.121 174.904 174.900 0.208 0.000 1.250 580 G CA -0.522 44.711 45.100 0.221 0.000 0.996 580 G HN 0.095 nan 8.290 nan 0.000 0.489 581 N N -0.027 118.803 118.700 0.216 0.000 2.276 581 N HA 0.011 4.751 4.740 -0.000 0.000 0.212 581 N C 0.335 175.929 175.510 0.141 0.000 1.127 581 N CA -0.057 53.122 53.050 0.215 0.000 0.834 581 N CB 0.866 39.466 38.487 0.187 0.000 1.014 581 N HN 0.392 nan 8.380 nan 0.000 0.491 582 D N 1.010 121.487 120.400 0.129 0.000 2.182 582 D HA -0.164 4.476 4.640 -0.000 0.000 0.201 582 D C 1.652 177.989 176.300 0.062 0.000 0.986 582 D CA 0.847 54.893 54.000 0.077 0.000 0.847 582 D CB -0.088 40.750 40.800 0.064 0.000 0.942 582 D HN 0.306 nan 8.370 nan 0.000 0.467 583 N N 0.443 119.203 118.700 0.101 0.000 2.244 583 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 583 N C 1.621 177.182 175.510 0.085 0.000 1.016 583 N CA 1.172 54.282 53.050 0.099 0.000 0.866 583 N CB 0.133 38.703 38.487 0.138 0.000 0.980 583 N HN 0.100 nan 8.380 nan 0.000 0.430 584 A N 0.674 123.546 122.820 0.087 0.000 1.898 584 A HA -0.024 4.295 4.320 -0.000 0.000 0.216 584 A C 2.523 180.052 177.584 -0.092 0.000 1.181 584 A CA 1.153 53.172 52.037 -0.030 0.000 0.620 584 A CB -0.707 18.167 19.000 -0.211 0.000 0.819 584 A HN 0.155 nan 8.150 nan 0.000 0.442 585 V N 0.460 120.328 119.914 -0.077 0.000 2.270 585 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 585 V C 2.461 178.493 176.094 -0.105 0.000 1.043 585 V CA 2.256 64.504 62.300 -0.086 0.000 1.014 585 V CB -0.707 31.090 31.823 -0.043 0.000 0.645 585 V HN 0.503 nan 8.190 nan 0.000 0.447 586 K N 0.398 120.753 120.400 -0.075 0.000 2.063 586 K HA -0.278 4.042 4.320 -0.000 0.000 0.208 586 K C 2.291 178.834 176.600 -0.096 0.000 1.048 586 K CA 2.123 58.354 56.287 -0.093 0.000 0.928 586 K CB -0.314 32.160 32.500 -0.044 0.000 0.713 586 K HN 0.773 nan 8.250 nan 0.000 0.442 587 Q N 0.240 120.012 119.800 -0.047 0.000 2.119 587 Q HA -0.051 4.288 4.340 -0.000 0.000 0.201 587 Q C 2.069 178.036 176.000 -0.055 0.000 0.972 587 Q CA 1.286 57.073 55.803 -0.025 0.000 0.847 587 Q CB -0.283 28.472 28.738 0.027 0.000 0.903 587 Q HN 0.201 nan 8.270 nan 0.000 0.433 588 A N 1.494 124.270 122.820 -0.073 0.000 1.902 588 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 588 A C 2.005 179.519 177.584 -0.115 0.000 1.181 588 A CA 1.557 53.568 52.037 -0.043 0.000 0.623 588 A CB -0.608 18.392 19.000 -0.000 0.000 0.818 588 A HN 0.543 nan 8.150 nan 0.000 0.443 589 E N -0.956 119.010 120.200 -0.390 0.000 2.038 589 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 589 E C 2.095 178.511 176.600 -0.307 0.000 1.000 589 E CA 1.766 57.707 56.400 -0.766 0.000 0.803 589 E CB -0.162 29.087 29.700 -0.752 0.000 0.750 589 E HN 0.567 nan 8.360 nan 0.000 0.448 590 T N 1.096 115.538 114.554 -0.187 0.000 2.720 590 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 590 T C 1.677 176.326 174.700 -0.085 0.000 1.037 590 T CA 0.872 62.911 62.100 -0.102 0.000 1.144 590 T CB -0.184 68.651 68.868 -0.056 0.000 0.864 590 T HN 0.034 nan 8.240 nan 0.000 0.444 591 L N 0.212 121.384 121.223 -0.084 0.000 2.083 591 L HA 0.071 4.411 4.340 -0.000 0.000 0.209 591 L C 1.933 178.702 176.870 -0.169 0.000 1.083 591 L CA 1.364 56.111 54.840 -0.155 0.000 0.752 591 L CB -0.964 41.018 42.059 -0.128 0.000 0.899 591 L HN 0.229 nan 8.230 nan 0.000 0.433 592 F N 0.158 119.994 119.950 -0.190 0.000 2.146 592 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 592 F C 2.549 178.265 175.800 -0.140 0.000 1.096 592 F CA 1.521 59.449 58.000 -0.120 0.000 1.275 592 F CB -0.245 38.806 39.000 0.085 0.000 1.008 592 F HN 0.149 nan 8.300 nan 0.000 0.480 593 Q N -0.389 119.348 119.800 -0.105 0.000 2.181 593 Q HA -0.261 4.079 4.340 -0.000 0.000 0.205 593 Q C 2.152 178.027 176.000 -0.208 0.000 0.980 593 Q CA 1.967 57.677 55.803 -0.155 0.000 0.862 593 Q CB -0.221 28.472 28.738 -0.076 0.000 0.905 593 Q HN 0.594 nan 8.270 nan 0.000 0.429 594 Q N -0.390 119.282 119.800 -0.214 0.000 2.163 594 Q HA -0.020 4.320 4.340 -0.000 0.000 0.198 594 Q C 1.887 177.720 176.000 -0.278 0.000 0.954 594 Q CA 0.773 56.470 55.803 -0.178 0.000 0.851 594 Q CB 0.276 28.952 28.738 -0.102 0.000 0.928 594 Q HN 0.418 nan 8.270 nan 0.000 0.459 595 I N -0.837 119.434 120.570 -0.497 0.000 2.400 595 I HA -0.093 4.077 4.170 -0.000 0.000 0.248 595 I C 0.565 176.331 176.117 -0.584 0.000 1.109 595 I CA 0.333 61.229 61.300 -0.673 0.000 1.425 595 I CB 0.559 38.073 38.000 -0.810 0.000 1.094 595 I HN 0.069 nan 8.210 nan 0.000 0.425 596 C N 2.169 121.040 119.300 -0.715 0.000 3.003 596 C HA 0.404 4.864 4.460 -0.000 0.000 0.241 596 C C -2.267 172.383 174.990 -0.567 0.000 1.224 596 C CA -1.502 57.101 59.018 -0.691 0.000 1.560 596 C CB -0.569 26.534 27.740 -1.063 0.000 1.768 596 C HN 0.077 nan 8.230 nan 0.000 0.440 597 P HA 0.046 nan 4.420 nan 0.000 0.266 597 P C 0.354 177.580 177.300 -0.123 0.000 1.193 597 P CA 0.806 63.798 63.100 -0.181 0.000 0.770 597 P CB 0.367 32.000 31.700 -0.110 0.000 0.836 598 N N -0.073 118.589 118.700 -0.062 0.000 2.702 598 N HA -0.222 4.518 4.740 -0.000 0.000 0.255 598 N C -0.247 175.274 175.510 0.017 0.000 0.983 598 N CA 1.244 54.288 53.050 -0.011 0.000 0.768 598 N CB -0.726 37.754 38.487 -0.012 0.000 0.918 598 N HN 0.564 nan 8.380 nan 0.000 0.540 599 E N 0.418 120.654 120.200 0.060 0.000 2.212 599 E HA 0.203 4.553 4.350 -0.000 0.000 0.268 599 E C -0.761 176.032 176.600 0.322 0.000 0.902 599 E CA -0.656 55.842 56.400 0.162 0.000 0.779 599 E CB 1.610 31.390 29.700 0.134 0.000 1.172 599 E HN 0.056 nan 8.360 nan 0.000 0.409 600 D N 1.672 122.196 120.400 0.207 0.000 2.383 600 D HA 0.005 4.645 4.640 -0.000 0.000 0.252 600 D C -0.739 175.639 176.300 0.131 0.000 1.166 600 D CA -0.021 54.069 54.000 0.150 0.000 0.879 600 D CB 0.041 40.871 40.800 0.051 0.000 1.164 600 D HN 0.168 nan 8.370 nan 0.000 0.462 601 F N 5.114 125.007 119.950 -0.095 0.000 2.494 601 F HA 0.132 4.659 4.527 -0.000 0.000 0.369 601 F C 0.478 176.043 175.800 -0.392 0.000 1.098 601 F CA -0.805 56.917 58.000 -0.463 0.000 1.154 601 F CB -0.217 38.595 39.000 -0.312 0.000 1.103 601 F HN 0.512 nan 8.300 nan 0.000 0.549 602 C N 5.751 124.442 119.300 -1.016 0.000 3.896 602 C HA -0.170 4.290 4.460 -0.000 0.000 0.300 602 C C -2.163 172.589 174.990 -0.396 0.000 1.322 602 C CA -0.778 57.787 59.018 -0.756 0.000 2.130 602 C CB -2.704 24.493 27.740 -0.904 0.000 1.363 602 C HN 0.641 nan 8.230 nan 0.000 0.642 603 P HA 0.336 nan 4.420 nan 0.000 0.269 603 P C 0.044 177.246 177.300 -0.165 0.000 1.217 603 P CA 0.539 63.538 63.100 -0.168 0.000 0.783 603 P CB 0.543 32.170 31.700 -0.122 0.000 0.898 604 A N 3.632 126.391 122.820 -0.101 0.000 2.462 604 A HA 0.318 4.638 4.320 -0.000 0.000 0.243 604 A C -2.028 175.528 177.584 -0.046 0.000 1.076 604 A CA -0.891 51.100 52.037 -0.076 0.000 0.773 604 A CB -1.366 17.604 19.000 -0.050 0.000 1.010 604 A HN 0.415 nan 8.150 nan 0.000 0.493 605 P HA 0.224 nan 4.420 nan 0.000 0.266 605 P C -2.246 175.089 177.300 0.058 0.000 1.195 605 P CA -0.481 62.677 63.100 0.097 0.000 0.768 605 P CB -0.222 31.575 31.700 0.161 0.000 0.838 606 P HA 0.039 nan 4.420 nan 0.000 0.267 606 P C -0.534 176.782 177.300 0.026 0.000 1.195 606 P CA 0.516 63.642 63.100 0.043 0.000 0.773 606 P CB 0.284 32.018 31.700 0.056 0.000 0.837 607 N N 1.090 119.798 118.700 0.014 0.000 2.405 607 N HA 0.382 5.122 4.740 -0.000 0.000 0.274 607 N C -2.700 172.812 175.510 0.003 0.000 1.170 607 N CA -1.749 51.305 53.050 0.006 0.000 0.848 607 N CB 1.070 39.557 38.487 -0.000 0.000 1.629 607 N HN 0.007 nan 8.380 nan 0.000 0.481 608 P HA 0.254 nan 4.420 nan 0.000 0.255 608 P C -0.468 176.831 177.300 -0.002 0.000 1.357 608 P CA 0.349 63.449 63.100 -0.000 0.000 0.839 608 P CB 0.391 32.090 31.700 -0.001 0.000 1.356 609 E N -1.218 118.981 120.200 -0.003 0.000 2.541 609 E HA 0.020 4.370 4.350 -0.000 0.000 0.219 609 E C 0.748 177.345 176.600 -0.004 0.000 0.922 609 E CA 0.157 56.555 56.400 -0.004 0.000 1.095 609 E CB 0.031 29.727 29.700 -0.005 0.000 1.112 609 E HN 0.227 nan 8.360 nan 0.000 0.516 610 D N 1.156 121.554 120.400 -0.003 0.000 2.104 610 D HA -0.103 4.537 4.640 -0.000 0.000 0.194 610 D C 0.688 176.986 176.300 -0.003 0.000 0.994 610 D CA 1.010 55.008 54.000 -0.004 0.000 0.830 610 D CB 0.441 41.239 40.800 -0.003 0.000 0.959 610 D HN 0.125 nan 8.370 nan 0.000 0.452 611 I N 2.087 122.655 120.570 -0.002 0.000 2.388 611 I HA 0.136 4.306 4.170 -0.000 0.000 0.281 611 I C -0.254 175.862 176.117 -0.002 0.000 1.046 611 I CA -0.541 60.758 61.300 -0.002 0.000 1.187 611 I CB 1.238 39.238 38.000 -0.000 0.000 1.351 611 I HN -0.325 nan 8.210 nan 0.000 0.472 612 V N 7.277 127.190 119.914 -0.003 0.000 2.530 612 V HA 0.295 4.415 4.120 -0.000 0.000 0.282 612 V C 0.507 176.599 176.094 -0.002 0.000 1.048 612 V CA -0.312 61.987 62.300 -0.003 0.000 0.997 612 V CB 1.578 33.400 31.823 -0.003 0.000 0.987 612 V HN 0.417 nan 8.190 nan 0.000 0.477 613 L N 3.182 124.404 121.223 -0.002 0.000 2.331 613 L HA 0.491 4.831 4.340 -0.000 0.000 0.275 613 L C 0.660 177.529 176.870 -0.002 0.000 1.022 613 L CA -0.778 54.062 54.840 -0.002 0.000 0.812 613 L CB 1.347 43.405 42.059 -0.001 0.000 1.257 613 L HN 0.596 nan 8.230 nan 0.000 0.435 614 D N 0.000 120.399 120.400 -0.002 0.000 6.856 614 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 614 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 614 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 614 D HN 0.000 nan 8.370 nan 0.000 0.683