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 2uvf_1_A DATA FIRST_RESID 36 DATA SEQUENCE DAPQQLQVPT LAYDESSIVL VWKAPEDTRK IVDYQIFSAG KLLGKASDNN DATA SEQUENCE DNFSPAKPYI DHFYVNDKDN FQHKIVMQNF TVIGLKPETS YQFTVKAQYA DATA SEQUENCE DGSLSVASKP ITAKTSAKPQ IVNVRDFGAI DDGKTLNTKA IQQAIDScKP DATA SEQUENCE GcRVEIPAGT YKSGALWLKS DMTLNLQAGA ILLGSENPDD YPAGYRLYPY DATA SEQUENCE STIERPASLI NAIDPNNSKP GTFRNIRITG SGVIDGNGWL RAKTAEITDE DATA SEQUENCE LGRSLPQYVA SKNSKVHEDG ILAKNQVEKA VSDGMDLKNA YGQRRSSLMT DATA SEQUENCE LRGVENVYLA GFTVRNPAFH GIMNLENHNV VANGLIHQTY DANNGDGIEF DATA SEQUENCE GNSQNVMVFN NFFDTGDDCI NFAAGTGEKA QEQEPMKGAW LFNNYFRMGH DATA SEQUENCE GAIVTGSHTG AWIEDILAEN NVMYLTDIGL RAKSTSTIGG GARNVTFRNN DATA SEQUENCE AMRDLAKQVM VMTLDYADSN ANIDYPPAKI PAQFYDFTLK NVTVDNSTGK DATA SEQUENCE NPSIEIKGDT ANKAWHRLVH VNNVQLNNVT PTAISDLRDS EFNKVTFTEL DATA SEQUENCE RGDTPWHFSE VKNVKVDGKP V 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 36 D HA 0.000 nan 4.640 nan 0.000 0.175 36 D C 0.000 176.351 176.300 0.085 0.000 2.045 36 D CA 0.000 54.044 54.000 0.073 0.000 0.868 36 D CB 0.000 40.839 40.800 0.066 0.000 0.688 37 A N 3.423 126.277 122.820 0.056 0.000 2.425 37 A HA 0.581 4.901 4.320 0.000 0.000 0.249 37 A C -2.157 175.462 177.584 0.057 0.000 1.084 37 A CA -0.710 51.355 52.037 0.046 0.000 0.781 37 A CB -0.078 18.935 19.000 0.022 0.000 1.019 37 A HN 0.297 nan 8.150 nan 0.000 0.490 38 P HA 0.094 nan 4.420 nan 0.000 0.264 38 P C -0.633 176.694 177.300 0.044 0.000 1.183 38 P CA 0.482 63.626 63.100 0.074 0.000 0.763 38 P CB 0.336 32.028 31.700 -0.013 0.000 0.807 39 Q N 2.165 122.003 119.800 0.064 0.000 2.256 39 Q HA 0.262 4.603 4.340 0.000 0.000 0.257 39 Q C -0.148 175.881 176.000 0.049 0.000 0.936 39 Q CA -0.573 55.251 55.803 0.035 0.000 0.903 39 Q CB 1.144 29.886 28.738 0.006 0.000 1.263 39 Q HN 0.371 nan 8.270 nan 0.000 0.440 40 Q N 0.392 120.213 119.800 0.035 0.000 2.470 40 Q HA -0.196 4.145 4.340 0.000 0.000 0.290 40 Q C -0.711 175.359 176.000 0.116 0.000 1.353 40 Q CA -0.091 55.736 55.803 0.040 0.000 0.787 40 Q CB -1.580 27.137 28.738 -0.034 0.000 1.158 40 Q HN 0.526 nan 8.270 nan 0.000 0.426 41 L N 1.749 123.053 121.223 0.134 0.000 2.525 41 L HA 0.050 4.390 4.340 0.000 0.000 0.278 41 L C 0.379 177.340 176.870 0.151 0.000 1.218 41 L CA 1.475 56.425 54.840 0.184 0.000 0.878 41 L CB 0.416 42.545 42.059 0.116 0.000 1.127 41 L HN 0.321 nan 8.230 nan 0.000 0.492 42 Q N 2.760 122.659 119.800 0.165 0.000 2.633 42 Q HA 0.510 4.850 4.340 0.000 0.000 0.289 42 Q C -1.900 174.171 176.000 0.119 0.000 0.940 42 Q CA -1.142 54.742 55.803 0.135 0.000 0.785 42 Q CB 1.282 30.103 28.738 0.139 0.000 1.467 42 Q HN 0.341 nan 8.270 nan 0.000 0.401 43 V N 2.094 122.077 119.914 0.115 0.000 2.406 43 V HA 0.367 4.487 4.120 0.000 0.000 0.272 43 V C -2.112 174.074 176.094 0.153 0.000 1.043 43 V CA -1.471 60.900 62.300 0.117 0.000 0.915 43 V CB 0.646 32.541 31.823 0.120 0.000 0.988 43 V HN 0.665 nan 8.190 nan 0.000 0.466 44 P HA 0.089 nan 4.420 nan 0.000 0.269 44 P C 0.219 177.636 177.300 0.195 0.000 1.209 44 P CA -0.093 63.139 63.100 0.221 0.000 0.776 44 P CB 0.151 32.041 31.700 0.317 0.000 0.876 45 T N 4.126 118.802 114.554 0.203 0.000 2.709 45 T HA -0.066 4.284 4.350 0.000 0.000 0.269 45 T C 1.172 175.909 174.700 0.061 0.000 1.008 45 T CA 0.631 62.829 62.100 0.163 0.000 1.194 45 T CB -0.856 68.122 68.868 0.184 0.000 0.986 45 T HN 0.407 nan 8.240 nan 0.000 0.508 46 L N 0.752 121.944 121.223 -0.052 0.000 4.555 46 L HA -0.299 4.041 4.340 0.000 0.000 0.431 46 L C 1.554 177.889 176.870 -0.891 0.000 1.136 46 L CA 0.686 55.273 54.840 -0.422 0.000 0.972 46 L CB -1.414 40.507 42.059 -0.230 0.000 1.999 46 L HN 0.786 nan 8.230 nan 0.000 0.900 47 A N -0.162 122.287 122.820 -0.619 0.000 2.426 47 A HA 0.341 4.661 4.320 0.000 0.000 0.247 47 A C 0.169 177.568 177.584 -0.309 0.000 1.389 47 A CA 0.647 52.222 52.037 -0.769 0.000 1.129 47 A CB -0.896 18.063 19.000 -0.069 0.000 0.928 47 A HN 0.579 nan 8.150 nan 0.000 0.557 48 Y N -4.068 116.009 120.300 -0.372 0.000 2.689 48 Y HA 0.857 5.407 4.550 0.000 0.000 0.333 48 Y C -0.980 174.852 175.900 -0.113 0.000 1.190 48 Y CA -1.794 56.209 58.100 -0.162 0.000 1.063 48 Y CB 0.867 39.291 38.460 -0.060 0.000 1.294 48 Y HN 0.043 nan 8.280 nan 0.000 0.466 49 D N -0.972 119.537 120.400 0.182 0.000 2.812 49 D HA 0.167 4.807 4.640 0.000 0.000 0.318 49 D C 0.460 176.862 176.300 0.170 0.000 1.234 49 D CA -0.150 53.903 54.000 0.089 0.000 0.989 49 D CB 1.361 42.189 40.800 0.046 0.000 1.442 49 D HN 0.753 nan 8.370 nan 0.000 0.537 50 E N -0.672 119.596 120.200 0.113 0.000 2.358 50 E HA -0.050 4.300 4.350 0.000 0.000 0.195 50 E C 0.569 177.238 176.600 0.115 0.000 1.010 50 E CA 0.864 57.334 56.400 0.117 0.000 0.856 50 E CB 0.044 29.796 29.700 0.086 0.000 0.795 50 E HN 0.235 nan 8.360 nan 0.000 0.504 51 S N -0.507 115.249 115.700 0.092 0.000 2.787 51 S HA 0.209 4.679 4.470 0.000 0.000 0.255 51 S C 0.317 174.941 174.600 0.040 0.000 1.051 51 S CA -0.132 58.113 58.200 0.075 0.000 1.124 51 S CB 0.280 63.515 63.200 0.058 0.000 1.104 51 S HN 0.224 nan 8.310 nan 0.000 0.623 52 S N 0.789 116.515 115.700 0.044 0.000 2.541 52 S HA 0.821 5.291 4.470 0.000 0.000 0.271 52 S C -1.146 173.474 174.600 0.033 0.000 1.133 52 S CA -0.842 57.352 58.200 -0.009 0.000 0.876 52 S CB 1.346 64.503 63.200 -0.072 0.000 1.105 52 S HN 0.296 nan 8.310 nan 0.000 0.470 53 I N 1.529 122.093 120.570 -0.010 0.000 2.582 53 I HA 0.478 4.648 4.170 0.000 0.000 0.292 53 I C -1.086 174.988 176.117 -0.071 0.000 1.066 53 I CA -1.154 60.154 61.300 0.012 0.000 1.053 53 I CB 2.371 40.392 38.000 0.035 0.000 1.241 53 I HN 0.488 nan 8.210 nan 0.000 0.421 54 V N 6.613 126.518 119.914 -0.015 0.000 2.394 54 V HA 0.454 4.574 4.120 0.000 0.000 0.282 54 V C -0.055 176.050 176.094 0.019 0.000 1.031 54 V CA -0.506 61.806 62.300 0.019 0.000 0.881 54 V CB 1.426 33.339 31.823 0.151 0.000 0.982 54 V HN 0.435 nan 8.190 nan 0.000 0.451 55 L N 5.925 127.162 121.223 0.024 0.000 2.325 55 L HA 0.867 5.207 4.340 0.000 0.000 0.278 55 L C -0.234 176.662 176.870 0.044 0.000 1.023 55 L CA -0.752 54.123 54.840 0.058 0.000 0.811 55 L CB 1.908 44.009 42.059 0.069 0.000 1.249 55 L HN 0.618 nan 8.230 nan 0.000 0.431 56 V N -0.877 119.042 119.914 0.008 0.000 3.130 56 V HA 0.830 4.951 4.120 0.000 0.000 0.310 56 V C -1.728 174.398 176.094 0.053 0.000 1.158 56 V CA -0.647 61.485 62.300 -0.281 0.000 1.029 56 V CB 1.970 33.501 31.823 -0.487 0.000 1.057 56 V HN 0.952 nan 8.190 nan 0.000 0.436 57 W N -0.176 121.046 121.300 -0.131 0.000 3.146 57 W HA 0.733 5.393 4.660 0.000 0.000 0.319 57 W C -1.278 175.208 176.519 -0.055 0.000 1.258 57 W CA -1.121 56.176 57.345 -0.080 0.000 1.189 57 W CB 1.062 30.408 29.460 -0.189 0.000 1.412 57 W HN 0.637 nan 8.180 nan 0.000 0.567 58 K N 1.852 122.328 120.400 0.128 0.000 2.368 58 K HA 0.527 4.847 4.320 0.000 0.000 0.282 58 K C 0.101 176.775 176.600 0.123 0.000 1.035 58 K CA -0.091 56.204 56.287 0.013 0.000 0.973 58 K CB 1.056 33.484 32.500 -0.121 0.000 0.957 58 K HN 0.569 nan 8.250 nan 0.000 0.474 59 A N 5.021 127.882 122.820 0.069 0.000 2.303 59 A HA 0.500 4.821 4.320 0.000 0.000 0.317 59 A C -2.131 175.532 177.584 0.132 0.000 1.149 59 A CA -1.506 50.643 52.037 0.186 0.000 0.822 59 A CB 0.229 19.348 19.000 0.199 0.000 1.131 59 A HN 0.492 nan 8.150 nan 0.000 0.493 60 P HA 0.161 nan 4.420 nan 0.000 0.279 60 P C 0.511 177.863 177.300 0.087 0.000 1.282 60 P CA -0.287 62.871 63.100 0.097 0.000 0.788 60 P CB 0.710 32.476 31.700 0.111 0.000 1.139 61 E N -0.638 119.595 120.200 0.055 0.000 2.118 61 E HA -0.206 4.145 4.350 0.000 0.000 0.195 61 E C -0.009 176.637 176.600 0.076 0.000 0.992 61 E CA 1.100 57.528 56.400 0.047 0.000 0.804 61 E CB -0.036 29.679 29.700 0.026 0.000 0.741 61 E HN 0.370 nan 8.360 nan 0.000 0.458 62 D N -0.547 119.907 120.400 0.091 0.000 2.453 62 D HA 0.056 4.696 4.640 0.000 0.000 0.238 62 D C -0.317 176.060 176.300 0.129 0.000 1.088 62 D CA -0.274 53.791 54.000 0.108 0.000 0.854 62 D CB 1.414 42.262 40.800 0.080 0.000 1.076 62 D HN 0.023 nan 8.370 nan 0.000 0.533 63 T N 0.693 115.341 114.554 0.157 0.000 3.174 63 T HA 0.195 4.546 4.350 0.000 0.000 0.269 63 T C 1.516 176.272 174.700 0.092 0.000 1.017 63 T CA -0.363 61.822 62.100 0.142 0.000 0.899 63 T CB -0.023 68.951 68.868 0.176 0.000 1.077 63 T HN 0.247 nan 8.240 nan 0.000 0.552 64 R N 1.661 122.214 120.500 0.088 0.000 2.154 64 R HA -0.075 4.265 4.340 0.000 0.000 0.248 64 R C 1.778 178.105 176.300 0.045 0.000 1.155 64 R CA 1.591 57.720 56.100 0.048 0.000 0.979 64 R CB -0.118 30.214 30.300 0.053 0.000 0.869 64 R HN 0.492 nan 8.270 nan 0.000 0.452 65 K N -0.462 119.991 120.400 0.087 0.000 2.355 65 K HA 0.202 4.522 4.320 0.000 0.000 0.198 65 K C 0.179 176.907 176.600 0.213 0.000 1.039 65 K CA 0.082 56.447 56.287 0.130 0.000 1.075 65 K CB 0.790 33.354 32.500 0.107 0.000 0.870 65 K HN 0.086 nan 8.250 nan 0.000 0.540 66 I N 2.401 123.033 120.570 0.103 0.000 2.325 66 I HA -0.000 4.170 4.170 0.000 0.000 0.291 66 I C 1.141 177.201 176.117 -0.095 0.000 1.019 66 I CA -0.483 60.763 61.300 -0.089 0.000 1.302 66 I CB 1.530 39.425 38.000 -0.175 0.000 1.401 66 I HN -0.152 nan 8.210 nan 0.000 0.485 67 V N 0.452 120.287 119.914 -0.132 0.000 3.643 67 V HA 0.439 4.560 4.120 0.000 0.000 0.280 67 V C 0.142 176.194 176.094 -0.070 0.000 1.351 67 V CA 0.413 62.667 62.300 -0.077 0.000 1.073 67 V CB 0.067 31.862 31.823 -0.047 0.000 0.863 67 V HN 0.792 nan 8.190 nan 0.000 0.436 68 D N -2.013 118.292 120.400 -0.159 0.000 2.804 68 D HA 0.387 5.027 4.640 0.000 0.000 0.309 68 D C -2.173 173.960 176.300 -0.278 0.000 1.311 68 D CA -0.321 53.638 54.000 -0.067 0.000 0.765 68 D CB 1.698 42.483 40.800 -0.024 0.000 1.293 68 D HN 0.067 nan 8.370 nan 0.000 0.434 69 Y N 0.293 120.606 120.300 0.021 0.000 2.524 69 Y HA 0.470 5.021 4.550 0.001 0.000 0.347 69 Y C -0.096 175.696 175.900 -0.181 0.000 1.005 69 Y CA -0.587 57.452 58.100 -0.102 0.000 1.025 69 Y CB 2.203 40.624 38.460 -0.065 0.000 1.275 69 Y HN 0.000 nan 8.280 nan 0.000 0.460 70 Q N 2.592 122.288 119.800 -0.173 0.000 2.365 70 Q HA 0.637 4.978 4.340 0.000 0.000 0.269 70 Q C -1.607 173.953 176.000 -0.734 0.000 1.061 70 Q CA -1.048 54.507 55.803 -0.413 0.000 0.816 70 Q CB 3.062 31.568 28.738 -0.386 0.000 1.325 70 Q HN 0.495 nan 8.270 nan 0.000 0.446 71 I N 2.221 122.188 120.570 -1.005 0.000 2.406 71 I HA 0.397 4.567 4.170 0.000 0.000 0.290 71 I C -1.173 174.405 176.117 -0.897 0.000 0.999 71 I CA -0.161 60.562 61.300 -0.961 0.000 1.124 71 I CB 1.001 38.206 38.000 -1.325 0.000 1.289 71 I HN 0.418 nan 8.210 nan 0.000 0.441 72 F N 3.778 123.637 119.950 -0.151 0.000 2.507 72 F HA 0.563 5.091 4.527 0.000 0.000 0.325 72 F C 0.382 176.217 175.800 0.057 0.000 1.116 72 F CA -0.856 57.119 58.000 -0.043 0.000 0.930 72 F CB 2.016 40.986 39.000 -0.050 0.000 1.146 72 F HN 0.289 nan 8.300 nan 0.000 0.447 73 S N 2.429 118.263 115.700 0.223 0.000 2.442 73 S HA 0.599 5.069 4.470 0.000 0.000 0.297 73 S C 0.315 174.941 174.600 0.045 0.000 1.131 73 S CA -0.004 58.239 58.200 0.070 0.000 1.092 73 S CB 0.801 64.008 63.200 0.012 0.000 0.998 73 S HN 1.421 nan 8.310 nan 0.000 0.478 74 A N 3.414 126.222 122.820 -0.021 0.000 2.511 74 A HA -0.041 4.280 4.320 0.000 0.000 0.297 74 A C 1.605 179.198 177.584 0.015 0.000 1.476 74 A CA 1.238 53.267 52.037 -0.014 0.000 0.757 74 A CB -2.242 16.747 19.000 -0.018 0.000 1.072 74 A HN 2.603 nan 8.150 nan 0.000 0.413 75 G N -1.378 107.437 108.800 0.024 0.000 2.205 75 G HA2 -0.371 3.590 3.960 0.000 0.000 0.269 75 G HA3 -0.371 3.590 3.960 0.000 0.000 0.269 75 G C 0.251 175.188 174.900 0.063 0.000 0.977 75 G CA 1.419 46.500 45.100 -0.032 0.000 0.652 75 G HN 1.281 nan 8.290 nan 0.000 0.539 76 K N 0.075 120.567 120.400 0.153 0.000 2.183 76 K HA 0.544 4.864 4.320 0.000 0.000 0.274 76 K C 0.277 177.049 176.600 0.288 0.000 1.009 76 K CA -1.090 55.312 56.287 0.191 0.000 0.888 76 K CB 0.933 33.501 32.500 0.113 0.000 1.078 76 K HN 0.137 nan 8.250 nan 0.000 0.459 77 L N 5.533 126.939 121.223 0.305 0.000 2.513 77 L HA -0.002 4.338 4.340 0.000 0.000 0.272 77 L C 0.461 177.321 176.870 -0.017 0.000 1.187 77 L CA 0.740 55.618 54.840 0.063 0.000 0.895 77 L CB 0.328 42.418 42.059 0.053 0.000 1.147 77 L HN 0.786 nan 8.230 nan 0.000 0.483 78 L N 4.808 125.950 121.223 -0.135 0.000 2.354 78 L HA 0.473 4.813 4.340 0.000 0.000 0.212 78 L C 1.115 178.061 176.870 0.127 0.000 1.091 78 L CA 0.499 55.356 54.840 0.029 0.000 0.828 78 L CB -0.402 41.698 42.059 0.069 0.000 0.973 78 L HN 0.930 nan 8.230 nan 0.000 0.461 79 G N -0.361 108.402 108.800 -0.063 0.000 2.362 79 G HA2 0.047 4.007 3.960 0.000 0.000 0.288 79 G HA3 0.047 4.007 3.960 0.000 0.000 0.288 79 G C -1.624 173.287 174.900 0.019 0.000 1.305 79 G CA -0.908 44.250 45.100 0.097 0.000 0.910 79 G HN -0.149 nan 8.290 nan 0.000 0.518 80 K N 0.182 120.687 120.400 0.175 0.000 2.138 80 K HA 0.636 4.957 4.320 0.000 0.000 0.263 80 K C 1.291 178.108 176.600 0.361 0.000 0.965 80 K CA -0.139 56.239 56.287 0.152 0.000 0.868 80 K CB 2.140 34.695 32.500 0.093 0.000 1.083 80 K HN 0.729 nan 8.250 nan 0.000 0.443 81 A N 1.986 125.039 122.820 0.388 0.000 1.892 81 A HA -0.251 4.069 4.320 0.000 0.000 0.218 81 A C 2.219 180.004 177.584 0.335 0.000 1.188 81 A CA 2.596 54.946 52.037 0.522 0.000 0.631 81 A CB -0.888 18.482 19.000 0.618 0.000 0.822 81 A HN 0.874 nan 8.150 nan 0.000 0.447 82 S N 0.563 116.409 115.700 0.243 0.000 2.359 82 S HA -0.244 4.226 4.470 0.000 0.000 0.223 82 S C 1.483 176.155 174.600 0.119 0.000 1.039 82 S CA 1.642 59.939 58.200 0.161 0.000 1.042 82 S CB -0.770 62.501 63.200 0.117 0.000 0.915 82 S HN 0.598 nan 8.310 nan 0.000 0.439 83 D N 1.443 121.911 120.400 0.113 0.000 2.178 83 D HA -0.073 4.568 4.640 0.000 0.000 0.202 83 D C 2.007 178.326 176.300 0.031 0.000 0.974 83 D CA 0.737 54.774 54.000 0.061 0.000 0.841 83 D CB -0.675 40.162 40.800 0.061 0.000 0.953 83 D HN 0.538 nan 8.370 nan 0.000 0.478 84 N N 1.348 120.101 118.700 0.088 0.000 2.058 84 N HA -0.147 4.593 4.740 0.000 0.000 0.191 84 N C 1.471 177.012 175.510 0.052 0.000 1.037 84 N CA 0.796 53.848 53.050 0.004 0.000 0.848 84 N CB -0.050 38.324 38.487 -0.189 0.000 1.021 84 N HN 0.129 nan 8.380 nan 0.000 0.422 85 N N 0.947 119.709 118.700 0.103 0.000 2.137 85 N HA -0.162 4.578 4.740 0.000 0.000 0.190 85 N C 0.832 176.354 175.510 0.020 0.000 1.017 85 N CA 1.174 54.281 53.050 0.095 0.000 0.859 85 N CB -0.276 38.284 38.487 0.122 0.000 1.002 85 N HN 0.363 nan 8.380 nan 0.000 0.428 86 D N 0.652 121.044 120.400 -0.013 0.000 2.149 86 D HA -0.137 4.503 4.640 0.000 0.000 0.198 86 D C 1.675 177.884 176.300 -0.152 0.000 0.990 86 D CA 0.893 54.856 54.000 -0.060 0.000 0.839 86 D CB -0.371 40.399 40.800 -0.051 0.000 0.948 86 D HN 0.266 nan 8.370 nan 0.000 0.460 87 N N -0.249 118.286 118.700 -0.275 0.000 2.173 87 N HA -0.095 4.646 4.740 0.000 0.000 0.184 87 N C 1.267 176.411 175.510 -0.610 0.000 1.025 87 N CA 0.946 53.655 53.050 -0.568 0.000 0.852 87 N CB -0.145 37.783 38.487 -0.932 0.000 0.998 87 N HN 0.084 nan 8.380 nan 0.000 0.427 88 F N -0.467 119.435 119.950 -0.081 0.000 2.678 88 F HA 0.376 4.904 4.527 0.001 0.000 0.291 88 F C 1.117 176.867 175.800 -0.083 0.000 1.123 88 F CA -0.254 57.695 58.000 -0.085 0.000 1.395 88 F CB -0.354 38.586 39.000 -0.100 0.000 1.121 88 F HN -0.137 nan 8.300 nan 0.000 0.592 89 S N 3.129 118.874 115.700 0.075 0.000 2.475 89 S HA 0.241 4.711 4.470 0.000 0.000 0.281 89 S C -1.299 173.293 174.600 -0.013 0.000 1.198 89 S CA -1.515 56.698 58.200 0.022 0.000 1.063 89 S CB 1.013 64.242 63.200 0.049 0.000 0.972 89 S HN -0.094 nan 8.310 nan 0.000 0.486 90 P HA 0.041 nan 4.420 nan 0.000 0.222 90 P C 1.161 178.492 177.300 0.051 0.000 1.153 90 P CA 0.803 63.877 63.100 -0.042 0.000 0.798 90 P CB -0.013 31.618 31.700 -0.115 0.000 0.796 91 A N 0.555 123.410 122.820 0.059 0.000 1.929 91 A HA -0.142 4.178 4.320 0.000 0.000 0.216 91 A C 2.354 180.024 177.584 0.145 0.000 1.176 91 A CA 1.790 53.910 52.037 0.139 0.000 0.628 91 A CB -0.912 18.148 19.000 0.100 0.000 0.816 91 A HN 0.051 nan 8.150 nan 0.000 0.444 92 K N 0.524 120.983 120.400 0.097 0.000 2.057 92 K HA -0.079 4.241 4.320 0.000 0.000 0.207 92 K C -0.814 175.821 176.600 0.059 0.000 1.049 92 K CA 1.836 58.178 56.287 0.092 0.000 0.931 92 K CB -1.103 31.440 32.500 0.072 0.000 0.714 92 K HN 0.395 nan 8.250 nan 0.000 0.440 93 P HA -0.171 nan 4.420 nan 0.000 0.218 93 P C 0.901 178.090 177.300 -0.185 0.000 1.148 93 P CA 1.427 64.461 63.100 -0.110 0.000 0.822 93 P CB -0.132 31.439 31.700 -0.215 0.000 0.784 94 Y N -0.203 119.970 120.300 -0.211 0.000 2.242 94 Y HA -0.077 4.473 4.550 0.001 0.000 0.291 94 Y C 2.663 178.438 175.900 -0.208 0.000 1.137 94 Y CA 0.891 58.710 58.100 -0.469 0.000 1.181 94 Y CB -1.110 36.569 38.460 -1.302 0.000 0.989 94 Y HN -0.184 nan 8.280 nan 0.000 0.527 95 I N -0.213 120.440 120.570 0.137 0.000 2.226 95 I HA -0.293 3.877 4.170 0.000 0.000 0.245 95 I C 1.721 178.057 176.117 0.365 0.000 1.100 95 I CA 1.399 62.885 61.300 0.311 0.000 1.374 95 I CB -0.287 37.890 38.000 0.295 0.000 1.057 95 I HN 0.164 nan 8.210 nan 0.000 0.413 96 D N -0.407 120.156 120.400 0.271 0.000 2.117 96 D HA -0.218 4.422 4.640 0.000 0.000 0.198 96 D C 2.057 178.518 176.300 0.268 0.000 0.982 96 D CA 1.184 55.358 54.000 0.290 0.000 0.828 96 D CB -0.454 40.439 40.800 0.156 0.000 0.967 96 D HN 0.407 nan 8.370 nan 0.000 0.464 97 H N -0.358 118.767 119.070 0.090 0.000 2.456 97 H HA -0.139 4.417 4.556 0.000 0.000 0.296 97 H C 1.992 177.352 175.328 0.053 0.000 1.079 97 H CA 0.778 56.841 56.048 0.025 0.000 1.322 97 H CB -0.363 29.345 29.762 -0.091 0.000 1.388 97 H HN 0.138 nan 8.280 nan 0.000 0.538 98 F N 1.129 121.008 119.950 -0.119 0.000 2.161 98 F HA -0.278 4.250 4.527 0.001 0.000 0.300 98 F C 1.441 177.025 175.800 -0.359 0.000 1.089 98 F CA 1.560 59.400 58.000 -0.267 0.000 1.282 98 F CB -0.514 38.373 39.000 -0.187 0.000 1.010 98 F HN 0.092 nan 8.300 nan 0.000 0.485 99 Y N -0.471 119.879 120.300 0.084 0.000 2.544 99 Y HA 0.098 4.648 4.550 0.000 0.000 0.286 99 Y C 2.390 178.225 175.900 -0.109 0.000 1.141 99 Y CA 0.536 58.635 58.100 -0.001 0.000 1.299 99 Y CB -1.172 37.360 38.460 0.121 0.000 1.030 99 Y HN 0.083 nan 8.280 nan 0.000 0.543 100 V N 0.347 120.216 119.914 -0.074 0.000 2.380 100 V HA -0.356 3.764 4.120 0.000 0.000 0.251 100 V C 1.858 177.870 176.094 -0.135 0.000 1.063 100 V CA 2.847 65.079 62.300 -0.114 0.000 1.055 100 V CB -0.572 31.131 31.823 -0.200 0.000 0.657 100 V HN 0.478 nan 8.190 nan 0.000 0.455 101 N N -0.284 118.277 118.700 -0.232 0.000 2.459 101 N HA -0.072 4.668 4.740 0.000 0.000 0.181 101 N C 0.266 175.709 175.510 -0.111 0.000 1.046 101 N CA 0.670 53.608 53.050 -0.188 0.000 0.904 101 N CB 0.111 38.433 38.487 -0.275 0.000 0.964 101 N HN 0.708 nan 8.380 nan 0.000 0.444 102 D N 1.525 121.888 120.400 -0.063 0.000 2.631 102 D HA 0.089 4.729 4.640 0.000 0.000 0.227 102 D C -0.324 176.009 176.300 0.056 0.000 1.146 102 D CA -0.057 53.953 54.000 0.017 0.000 1.009 102 D CB -0.060 40.805 40.800 0.108 0.000 1.057 102 D HN -0.115 nan 8.370 nan 0.000 0.509 103 K N 0.887 121.304 120.400 0.027 0.000 2.120 103 K HA 0.085 4.405 4.320 0.000 0.000 0.245 103 K C 0.298 176.940 176.600 0.069 0.000 1.024 103 K CA -0.204 56.108 56.287 0.042 0.000 0.906 103 K CB 0.544 33.056 32.500 0.021 0.000 1.051 103 K HN 0.273 nan 8.250 nan 0.000 0.491 104 D N 0.382 120.822 120.400 0.067 0.000 3.059 104 D HA -0.224 4.416 4.640 0.000 0.000 0.213 104 D C -0.721 175.653 176.300 0.125 0.000 1.144 104 D CA 1.261 55.314 54.000 0.088 0.000 0.975 104 D CB -1.000 39.850 40.800 0.084 0.000 1.125 104 D HN 0.824 nan 8.370 nan 0.000 0.412 105 N N -1.788 116.987 118.700 0.126 0.000 2.738 105 N HA -0.284 4.457 4.740 0.000 0.000 0.249 105 N C 0.528 176.141 175.510 0.172 0.000 1.047 105 N CA 0.507 53.633 53.050 0.126 0.000 0.707 105 N CB -0.985 37.544 38.487 0.070 0.000 0.937 105 N HN 0.436 nan 8.380 nan 0.000 0.545 106 F N 1.019 121.018 119.950 0.082 0.000 2.187 106 F HA 0.041 4.569 4.527 0.000 0.000 0.295 106 F C 1.398 177.285 175.800 0.145 0.000 1.091 106 F CA 1.075 59.130 58.000 0.092 0.000 1.308 106 F CB 0.250 39.290 39.000 0.066 0.000 1.030 106 F HN 0.099 nan 8.300 nan 0.000 0.487 107 Q N 1.256 121.210 119.800 0.257 0.000 2.304 107 Q HA -0.015 4.326 4.340 0.000 0.000 0.260 107 Q C -0.823 175.343 176.000 0.278 0.000 0.965 107 Q CA -0.057 55.929 55.803 0.305 0.000 0.898 107 Q CB 0.519 29.583 28.738 0.543 0.000 1.196 107 Q HN 0.396 nan 8.270 nan 0.000 0.402 108 H N 2.070 121.232 119.070 0.153 0.000 3.107 108 H HA -0.020 4.537 4.556 0.001 0.000 0.301 108 H C -0.513 174.978 175.328 0.272 0.000 0.981 108 H CA 0.653 56.786 56.048 0.142 0.000 1.443 108 H CB 0.326 30.142 29.762 0.091 0.000 1.479 108 H HN 0.199 nan 8.280 nan 0.000 0.564 109 K N 7.253 127.477 120.400 -0.294 0.000 2.284 109 K HA 0.183 4.503 4.320 0.000 0.000 0.287 109 K C 0.174 176.659 176.600 -0.192 0.000 1.081 109 K CA -0.369 55.759 56.287 -0.265 0.000 0.910 109 K CB 0.477 32.759 32.500 -0.362 0.000 1.088 109 K HN 0.564 nan 8.250 nan 0.000 0.478 110 I N 0.216 120.863 120.570 0.128 0.000 2.823 110 I HA 0.282 4.453 4.170 0.000 0.000 0.290 110 I C 0.165 176.365 176.117 0.139 0.000 1.091 110 I CA -0.984 60.443 61.300 0.213 0.000 1.365 110 I CB 0.774 38.941 38.000 0.279 0.000 1.427 110 I HN 0.250 nan 8.210 nan 0.000 0.583 111 V N 2.580 122.607 119.914 0.187 0.000 2.769 111 V HA 0.539 4.659 4.120 0.000 0.000 0.312 111 V C 0.103 176.332 176.094 0.226 0.000 1.058 111 V CA -1.038 61.394 62.300 0.220 0.000 0.952 111 V CB 1.700 33.706 31.823 0.304 0.000 1.019 111 V HN 0.786 nan 8.190 nan 0.000 0.445 112 M N 2.872 122.628 119.600 0.260 0.000 2.242 112 M HA 0.417 4.898 4.480 0.000 0.000 0.344 112 M C 0.237 176.554 176.300 0.028 0.000 1.140 112 M CA 0.567 55.976 55.300 0.182 0.000 1.160 112 M CB 0.758 33.495 32.600 0.229 0.000 1.491 112 M HN 0.885 nan 8.290 nan 0.000 0.459 113 Q N 1.196 120.758 119.800 -0.398 0.000 2.093 113 Q HA 0.199 4.539 4.340 0.000 0.000 0.217 113 Q C -0.516 174.404 176.000 -1.800 0.000 0.785 113 Q CA -0.229 54.741 55.803 -1.388 0.000 1.038 113 Q CB 0.771 28.827 28.738 -1.137 0.000 1.190 113 Q HN 0.748 nan 8.270 nan 0.000 0.468 114 N N -0.186 117.945 118.700 -0.948 0.000 2.277 114 N HA 0.445 5.185 4.740 0.000 0.000 0.286 114 N C -1.668 173.891 175.510 0.082 0.000 1.140 114 N CA -0.517 52.229 53.050 -0.507 0.000 0.799 114 N CB 2.200 40.546 38.487 -0.235 0.000 1.596 114 N HN -0.028 nan 8.380 nan 0.000 0.473 115 F N 0.574 120.575 119.950 0.085 0.000 2.630 115 F HA 0.339 4.867 4.527 0.000 0.000 0.325 115 F C -1.209 174.614 175.800 0.038 0.000 1.184 115 F CA -0.244 57.861 58.000 0.175 0.000 1.011 115 F CB 1.898 41.072 39.000 0.289 0.000 1.268 115 F HN 0.409 nan 8.300 nan 0.000 0.480 116 T N 5.946 120.276 114.554 -0.373 0.000 2.727 116 T HA 0.391 4.741 4.350 0.000 0.000 0.298 116 T C -0.436 173.914 174.700 -0.584 0.000 0.942 116 T CA -0.432 61.381 62.100 -0.477 0.000 0.997 116 T CB 0.865 69.269 68.868 -0.772 0.000 0.917 116 T HN 0.326 nan 8.240 nan 0.000 0.487 117 V N 6.584 126.348 119.914 -0.251 0.000 2.353 117 V HA 0.381 4.501 4.120 0.000 0.000 0.264 117 V C 0.526 176.528 176.094 -0.153 0.000 1.049 117 V CA -0.674 61.567 62.300 -0.098 0.000 0.896 117 V CB -0.548 31.292 31.823 0.027 0.000 1.025 117 V HN 0.810 nan 8.190 nan 0.000 0.475 118 I N 1.421 121.907 120.570 -0.141 0.000 3.474 118 I HA 0.963 5.134 4.170 0.000 0.000 0.294 118 I C 1.068 177.178 176.117 -0.012 0.000 1.185 118 I CA -0.425 60.822 61.300 -0.087 0.000 1.003 118 I CB 1.468 39.422 38.000 -0.076 0.000 1.327 118 I HN 0.719 nan 8.210 nan 0.000 0.541 119 G N 1.489 110.296 108.800 0.013 0.000 2.221 119 G HA2 -0.156 3.805 3.960 0.000 0.000 0.265 119 G HA3 -0.156 3.805 3.960 0.000 0.000 0.265 119 G C -0.404 174.511 174.900 0.025 0.000 1.041 119 G CA 0.163 45.283 45.100 0.033 0.000 0.807 119 G HN 0.426 nan 8.290 nan 0.000 0.502 120 L N -0.940 120.291 121.223 0.012 0.000 2.440 120 L HA 0.786 5.126 4.340 0.000 0.000 0.262 120 L C 0.781 177.729 176.870 0.130 0.000 1.072 120 L CA -0.698 54.162 54.840 0.033 0.000 0.798 120 L CB 0.748 42.771 42.059 -0.060 0.000 1.307 120 L HN 0.207 nan 8.230 nan 0.000 0.475 121 K N 0.323 120.863 120.400 0.232 0.000 2.208 121 K HA 0.495 4.815 4.320 0.000 0.000 0.247 121 K C -2.465 174.236 176.600 0.168 0.000 0.953 121 K CA -1.631 54.759 56.287 0.172 0.000 0.837 121 K CB 1.184 33.776 32.500 0.152 0.000 1.131 121 K HN 0.262 nan 8.250 nan 0.000 0.431 122 P HA -0.018 nan 4.420 nan 0.000 0.264 122 P C -0.748 176.600 177.300 0.081 0.000 1.193 122 P CA 0.535 63.694 63.100 0.099 0.000 0.763 122 P CB 0.530 32.273 31.700 0.073 0.000 0.810 123 E N -0.692 119.558 120.200 0.083 0.000 3.547 123 E HA -0.148 4.202 4.350 0.000 0.000 0.309 123 E C -0.743 175.852 176.600 -0.008 0.000 0.855 123 E CA 0.686 57.111 56.400 0.042 0.000 1.122 123 E CB -1.432 28.287 29.700 0.031 0.000 1.569 123 E HN 0.444 nan 8.360 nan 0.000 0.429 124 T N 0.174 114.718 114.554 -0.017 0.000 2.829 124 T HA 0.437 4.787 4.350 0.000 0.000 0.282 124 T C -0.011 174.478 174.700 -0.351 0.000 0.990 124 T CA -0.482 61.491 62.100 -0.211 0.000 1.028 124 T CB 1.790 70.479 68.868 -0.298 0.000 0.951 124 T HN -0.008 nan 8.240 nan 0.000 0.460 125 S N 1.889 117.350 115.700 -0.398 0.000 2.565 125 S HA 0.500 4.970 4.470 0.000 0.000 0.276 125 S C -1.099 173.119 174.600 -0.637 0.000 1.326 125 S CA -0.364 57.631 58.200 -0.342 0.000 1.045 125 S CB 0.054 63.128 63.200 -0.209 0.000 0.918 125 S HN 0.538 nan 8.310 nan 0.000 0.505 126 Y N 0.874 121.074 120.300 -0.166 0.000 2.504 126 Y HA 0.392 4.942 4.550 0.000 0.000 0.344 126 Y C 0.136 175.693 175.900 -0.572 0.000 1.023 126 Y CA -0.851 57.018 58.100 -0.386 0.000 1.020 126 Y CB 1.287 39.450 38.460 -0.494 0.000 1.282 126 Y HN 0.443 nan 8.280 nan 0.000 0.454 127 Q N 2.436 121.984 119.800 -0.419 0.000 2.214 127 Q HA 0.556 4.897 4.340 0.000 0.000 0.251 127 Q C -1.985 173.683 176.000 -0.553 0.000 0.936 127 Q CA -0.429 55.169 55.803 -0.342 0.000 0.894 127 Q CB 1.292 29.942 28.738 -0.147 0.000 1.252 127 Q HN 0.693 nan 8.270 nan 0.000 0.448 128 F N 0.301 120.291 119.950 0.066 0.000 2.574 128 F HA 0.348 4.875 4.527 0.000 0.000 0.313 128 F C 0.004 175.822 175.800 0.031 0.000 1.130 128 F CA -0.513 57.518 58.000 0.051 0.000 0.936 128 F CB 2.242 41.272 39.000 0.049 0.000 1.219 128 F HN 0.469 nan 8.300 nan 0.000 0.445 129 T N -0.534 114.160 114.554 0.233 0.000 2.916 129 T HA 0.844 5.194 4.350 0.000 0.000 0.292 129 T C -1.553 173.204 174.700 0.095 0.000 1.064 129 T CA -1.016 61.166 62.100 0.136 0.000 1.011 129 T CB 1.948 70.867 68.868 0.085 0.000 1.152 129 T HN 0.592 nan 8.240 nan 0.000 0.510 130 V N 1.040 120.929 119.914 -0.041 0.000 2.638 130 V HA 0.674 4.794 4.120 0.000 0.000 0.306 130 V C -1.456 174.579 176.094 -0.098 0.000 1.052 130 V CA -0.786 61.371 62.300 -0.238 0.000 0.885 130 V CB 1.805 33.164 31.823 -0.773 0.000 0.999 130 V HN 0.986 nan 8.190 nan 0.000 0.424 131 K N 5.099 125.499 120.400 0.000 0.000 2.270 131 K HA 0.779 5.099 4.320 0.000 0.000 0.255 131 K C -0.304 176.241 176.600 -0.092 0.000 0.936 131 K CA -0.498 55.800 56.287 0.018 0.000 0.809 131 K CB 2.182 34.761 32.500 0.133 0.000 1.131 131 K HN 0.857 nan 8.250 nan 0.000 0.427 132 A N 2.591 125.272 122.820 -0.231 0.000 2.511 132 A HA -0.003 4.317 4.320 0.000 0.000 0.242 132 A C -0.202 176.947 177.584 -0.725 0.000 1.069 132 A CA 0.203 51.788 52.037 -0.754 0.000 0.763 132 A CB 0.209 18.745 19.000 -0.775 0.000 1.001 132 A HN 0.724 nan 8.150 nan 0.000 0.498 133 Q N 1.454 120.831 119.800 -0.705 0.000 2.293 133 Q HA 0.513 4.853 4.340 0.000 0.000 0.261 133 Q C -1.620 174.084 176.000 -0.493 0.000 0.960 133 Q CA -0.412 55.118 55.803 -0.454 0.000 0.882 133 Q CB 0.838 29.439 28.738 -0.230 0.000 1.275 133 Q HN 0.724 nan 8.270 nan 0.000 0.445 134 Y N 0.527 120.768 120.300 -0.098 0.000 2.488 134 Y HA 0.369 4.919 4.550 0.000 0.000 0.325 134 Y C 1.128 176.994 175.900 -0.057 0.000 1.204 134 Y CA -0.090 57.962 58.100 -0.079 0.000 1.229 134 Y CB 1.081 39.505 38.460 -0.059 0.000 1.274 134 Y HN 0.835 nan 8.280 nan 0.000 0.493 135 A N 0.548 123.450 122.820 0.137 0.000 1.917 135 A HA -0.250 4.071 4.320 0.000 0.000 0.219 135 A C 1.463 179.077 177.584 0.049 0.000 1.182 135 A CA 2.224 54.296 52.037 0.058 0.000 0.633 135 A CB -0.906 18.119 19.000 0.041 0.000 0.819 135 A HN 0.852 nan 8.150 nan 0.000 0.448 136 D N -2.444 117.995 120.400 0.064 0.000 2.324 136 D HA 0.317 4.957 4.640 0.000 0.000 0.235 136 D C 1.122 177.450 176.300 0.045 0.000 1.095 136 D CA 0.975 54.998 54.000 0.038 0.000 0.871 136 D CB -0.490 40.319 40.800 0.015 0.000 0.906 136 D HN 0.808 nan 8.370 nan 0.000 0.522 137 G N 0.006 108.842 108.800 0.060 0.000 2.234 137 G HA2 -0.287 3.673 3.960 0.000 0.000 0.235 137 G HA3 -0.287 3.673 3.960 0.000 0.000 0.235 137 G C 0.443 175.383 174.900 0.067 0.000 0.997 137 G CA 0.306 45.434 45.100 0.048 0.000 0.623 137 G HN 0.884 nan 8.290 nan 0.000 0.514 138 S N 0.616 116.383 115.700 0.111 0.000 2.601 138 S HA 0.769 5.239 4.470 0.000 0.000 0.271 138 S C 0.328 175.060 174.600 0.220 0.000 1.305 138 S CA -0.577 57.707 58.200 0.140 0.000 1.022 138 S CB 1.623 64.893 63.200 0.116 0.000 0.940 138 S HN 0.711 nan 8.310 nan 0.000 0.525 139 L N 2.307 123.619 121.223 0.148 0.000 2.358 139 L HA 0.558 4.898 4.340 0.000 0.000 0.268 139 L C 0.813 177.786 176.870 0.171 0.000 1.032 139 L CA -0.888 53.998 54.840 0.077 0.000 0.805 139 L CB 1.819 43.907 42.059 0.048 0.000 1.253 139 L HN 0.957 nan 8.230 nan 0.000 0.452 140 S N 0.173 115.920 115.700 0.079 0.000 2.652 140 S HA 0.478 4.948 4.470 0.000 0.000 0.270 140 S C 0.002 174.633 174.600 0.051 0.000 1.243 140 S CA -0.915 57.374 58.200 0.150 0.000 0.999 140 S CB 1.542 64.810 63.200 0.113 0.000 0.973 140 S HN 0.493 nan 8.310 nan 0.000 0.544 141 V N 0.135 120.075 119.914 0.044 0.000 2.814 141 V HA 0.507 4.627 4.120 0.000 0.000 0.307 141 V C 0.834 176.920 176.094 -0.013 0.000 1.089 141 V CA -0.426 61.874 62.300 0.000 0.000 1.212 141 V CB -1.434 30.389 31.823 0.000 0.000 0.912 141 V HN 1.284 nan 8.190 nan 0.000 0.497 142 A N 4.684 127.475 122.820 -0.048 0.000 2.507 142 A HA 0.479 4.799 4.320 0.000 0.000 0.235 142 A C 1.038 178.608 177.584 -0.023 0.000 1.070 142 A CA 0.362 52.371 52.037 -0.047 0.000 0.768 142 A CB -0.408 18.533 19.000 -0.099 0.000 1.011 142 A HN 1.938 nan 8.150 nan 0.000 0.502 143 S N 2.014 117.703 115.700 -0.018 0.000 2.612 143 S HA 0.196 4.666 4.470 0.000 0.000 0.253 143 S C 0.129 174.728 174.600 -0.002 0.000 1.346 143 S CA -0.284 57.910 58.200 -0.011 0.000 0.976 143 S CB 0.150 63.334 63.200 -0.027 0.000 0.949 143 S HN 0.619 nan 8.310 nan 0.000 0.584 144 K N 2.033 122.437 120.400 0.007 0.000 2.382 144 K HA 0.235 4.555 4.320 0.000 0.000 0.275 144 K C -2.209 174.407 176.600 0.027 0.000 1.009 144 K CA -1.280 55.014 56.287 0.012 0.000 0.970 144 K CB -0.102 32.406 32.500 0.013 0.000 0.934 144 K HN 0.531 nan 8.250 nan 0.000 0.479 145 P HA 0.164 nan 4.420 nan 0.000 0.274 145 P C -0.378 176.964 177.300 0.070 0.000 1.237 145 P CA -0.249 62.880 63.100 0.048 0.000 0.793 145 P CB 0.440 32.154 31.700 0.023 0.000 0.977 146 I N -2.539 118.102 120.570 0.118 0.000 2.608 146 I HA 0.566 4.736 4.170 0.000 0.000 0.295 146 I C -0.766 175.434 176.117 0.138 0.000 1.049 146 I CA -0.699 60.680 61.300 0.132 0.000 1.063 146 I CB 2.385 40.484 38.000 0.165 0.000 1.248 146 I HN 0.058 nan 8.210 nan 0.000 0.424 147 T N 4.161 118.766 114.554 0.084 0.000 2.829 147 T HA 0.823 5.174 4.350 0.000 0.000 0.282 147 T C -0.209 174.547 174.700 0.093 0.000 0.990 147 T CA -0.605 61.524 62.100 0.048 0.000 1.028 147 T CB 1.496 70.360 68.868 -0.007 0.000 0.951 147 T HN 0.914 nan 8.240 nan 0.000 0.460 148 A N 2.638 125.538 122.820 0.134 0.000 2.455 148 A HA 0.720 5.040 4.320 0.000 0.000 0.300 148 A C -0.730 176.904 177.584 0.083 0.000 1.040 148 A CA -0.950 51.154 52.037 0.111 0.000 0.697 148 A CB 1.514 20.637 19.000 0.205 0.000 1.265 148 A HN 0.731 nan 8.150 nan 0.000 0.407 149 K N 1.611 121.974 120.400 -0.062 0.000 2.206 149 K HA 0.538 4.858 4.320 0.000 0.000 0.264 149 K C 0.548 177.080 176.600 -0.114 0.000 0.967 149 K CA -0.213 56.040 56.287 -0.057 0.000 0.844 149 K CB 0.967 33.420 32.500 -0.078 0.000 1.099 149 K HN 0.895 nan 8.250 nan 0.000 0.441 150 T N 0.210 114.807 114.554 0.071 0.000 2.724 150 T HA 0.034 4.385 4.350 0.000 0.000 0.324 150 T C 0.620 175.402 174.700 0.136 0.000 1.071 150 T CA -0.651 61.532 62.100 0.137 0.000 1.061 150 T CB 0.759 69.761 68.868 0.223 0.000 0.990 150 T HN 0.575 nan 8.240 nan 0.000 0.543 151 S N 0.055 115.905 115.700 0.250 0.000 2.713 151 S HA 0.680 5.150 4.470 0.000 0.000 0.283 151 S C 0.194 174.874 174.600 0.133 0.000 1.161 151 S CA -0.753 57.580 58.200 0.222 0.000 0.999 151 S CB 0.716 64.076 63.200 0.266 0.000 1.039 151 S HN 1.251 nan 8.310 nan 0.000 0.548 152 A N 1.061 123.943 122.820 0.102 0.000 2.407 152 A HA 0.479 4.799 4.320 0.000 0.000 0.248 152 A C 0.344 177.969 177.584 0.068 0.000 1.082 152 A CA -0.525 51.557 52.037 0.074 0.000 0.785 152 A CB -0.223 18.812 19.000 0.059 0.000 1.020 152 A HN 0.961 nan 8.150 nan 0.000 0.489 153 K N 3.138 123.573 120.400 0.059 0.000 2.504 153 K HA 0.099 4.420 4.320 0.000 0.000 0.278 153 K C -2.061 174.565 176.600 0.044 0.000 1.025 153 K CA -0.330 55.987 56.287 0.051 0.000 1.093 153 K CB 0.132 32.659 32.500 0.045 0.000 0.873 153 K HN 0.503 nan 8.250 nan 0.000 0.483 154 P HA 0.024 nan 4.420 nan 0.000 0.276 154 P C -1.065 176.253 177.300 0.031 0.000 1.252 154 P CA -0.506 62.614 63.100 0.033 0.000 0.802 154 P CB 0.727 32.443 31.700 0.026 0.000 1.035 155 Q N 1.587 121.405 119.800 0.030 0.000 2.300 155 Q HA 0.123 4.463 4.340 0.000 0.000 0.262 155 Q C -0.253 175.766 176.000 0.031 0.000 1.109 155 Q CA -0.408 55.414 55.803 0.032 0.000 0.905 155 Q CB -0.033 28.725 28.738 0.034 0.000 1.280 155 Q HN 0.267 nan 8.270 nan 0.000 0.426 156 I N 4.699 125.289 120.570 0.032 0.000 2.556 156 I HA 0.053 4.223 4.170 0.000 0.000 0.284 156 I C 0.016 176.161 176.117 0.046 0.000 1.114 156 I CA 0.035 61.354 61.300 0.031 0.000 1.418 156 I CB 0.706 38.723 38.000 0.029 0.000 1.394 156 I HN 0.307 nan 8.210 nan 0.000 0.552 157 V N 6.641 126.581 119.914 0.043 0.000 2.443 157 V HA 0.327 4.447 4.120 0.000 0.000 0.293 157 V C 0.082 176.215 176.094 0.065 0.000 1.021 157 V CA -0.865 61.484 62.300 0.082 0.000 0.848 157 V CB 1.842 33.696 31.823 0.052 0.000 0.998 157 V HN 0.722 nan 8.190 nan 0.000 0.424 158 N N 3.373 122.141 118.700 0.112 0.000 2.419 158 N HA 0.220 4.960 4.740 0.000 0.000 0.277 158 N C 0.912 176.503 175.510 0.135 0.000 1.006 158 N CA -0.337 52.756 53.050 0.071 0.000 0.923 158 N CB 2.250 40.769 38.487 0.054 0.000 1.140 158 N HN 0.509 nan 8.380 nan 0.000 0.488 159 V N 2.789 122.715 119.914 0.020 0.000 2.913 159 V HA -0.025 4.095 4.120 0.000 0.000 0.260 159 V C 1.856 178.014 176.094 0.107 0.000 1.098 159 V CA 1.172 63.486 62.300 0.024 0.000 1.121 159 V CB -0.497 31.229 31.823 -0.162 0.000 0.714 159 V HN 0.558 nan 8.190 nan 0.000 0.487 160 R N 0.418 120.963 120.500 0.075 0.000 2.148 160 R HA -0.047 4.293 4.340 0.000 0.000 0.223 160 R C 1.712 178.063 176.300 0.086 0.000 1.088 160 R CA 1.375 57.532 56.100 0.094 0.000 0.985 160 R CB -0.320 30.032 30.300 0.087 0.000 0.880 160 R HN 0.527 nan 8.270 nan 0.000 0.451 161 D N -0.302 120.151 120.400 0.087 0.000 2.371 161 D HA -0.095 4.545 4.640 0.000 0.000 0.221 161 D C 0.479 176.619 176.300 -0.267 0.000 0.986 161 D CA 1.016 54.971 54.000 -0.076 0.000 0.899 161 D CB 0.067 40.795 40.800 -0.120 0.000 0.902 161 D HN 0.221 nan 8.370 nan 0.000 0.530 162 F N -0.856 119.089 119.950 -0.008 0.000 2.668 162 F HA 0.334 4.862 4.527 0.000 0.000 0.301 162 F C 1.597 177.398 175.800 0.001 0.000 1.106 162 F CA -0.275 57.722 58.000 -0.006 0.000 1.289 162 F CB 0.971 39.962 39.000 -0.014 0.000 1.006 162 F HN -0.041 nan 8.300 nan 0.000 0.535 163 G N 0.733 109.610 108.800 0.129 0.000 2.141 163 G HA2 -0.102 3.859 3.960 0.000 0.000 0.231 163 G HA3 -0.102 3.859 3.960 0.000 0.000 0.231 163 G C 0.164 175.130 174.900 0.109 0.000 0.984 163 G CA -0.240 44.915 45.100 0.093 0.000 0.660 163 G HN 0.591 nan 8.290 nan 0.000 0.525 164 A N 0.098 122.998 122.820 0.134 0.000 2.409 164 A HA 0.766 5.086 4.320 0.000 0.000 0.262 164 A C 0.195 177.944 177.584 0.274 0.000 1.113 164 A CA 0.259 52.402 52.037 0.177 0.000 0.790 164 A CB 0.645 19.700 19.000 0.092 0.000 1.046 164 A HN 1.456 nan 8.150 nan 0.000 0.496 165 I N 1.788 122.522 120.570 0.275 0.000 2.656 165 I HA 0.291 4.462 4.170 0.000 0.000 0.292 165 I C -1.371 174.687 176.117 -0.099 0.000 1.144 165 I CA -0.749 60.634 61.300 0.138 0.000 1.038 165 I CB 2.128 40.163 38.000 0.059 0.000 1.244 165 I HN 0.719 nan 8.210 nan 0.000 0.420 166 D N 5.794 125.989 120.400 -0.343 0.000 2.383 166 D HA 0.167 4.808 4.640 0.000 0.000 0.245 166 D C -0.307 175.858 176.300 -0.224 0.000 1.263 166 D CA 0.200 53.897 54.000 -0.505 0.000 0.936 166 D CB 0.644 41.116 40.800 -0.548 0.000 1.053 166 D HN 0.560 nan 8.370 nan 0.000 0.507 167 D N 1.879 122.179 120.400 -0.166 0.000 3.221 167 D HA 0.311 4.952 4.640 0.000 0.000 0.207 167 D C 1.088 177.338 176.300 -0.084 0.000 1.292 167 D CA -0.115 53.827 54.000 -0.096 0.000 1.410 167 D CB -0.733 40.034 40.800 -0.056 0.000 0.956 167 D HN 0.371 nan 8.370 nan 0.000 0.177 168 G N -0.378 108.387 108.800 -0.057 0.000 2.940 168 G HA2 0.450 4.410 3.960 0.000 0.000 0.164 168 G HA3 0.450 4.410 3.960 0.000 0.000 0.164 168 G C -0.732 174.152 174.900 -0.026 0.000 1.326 168 G CA -0.752 44.325 45.100 -0.040 0.000 1.020 168 G HN 0.369 nan 8.290 nan 0.000 0.586 169 K N 0.876 121.266 120.400 -0.017 0.000 2.363 169 K HA 0.310 4.630 4.320 0.000 0.000 0.240 169 K C -0.824 175.772 176.600 -0.008 0.000 1.169 169 K CA -0.221 56.059 56.287 -0.013 0.000 1.131 169 K CB 0.234 32.728 32.500 -0.009 0.000 1.771 169 K HN 0.105 nan 8.250 nan 0.000 0.380 170 T N 3.374 117.923 114.554 -0.007 0.000 2.728 170 T HA 0.122 4.472 4.350 0.000 0.000 0.296 170 T C -0.297 174.410 174.700 0.011 0.000 0.940 170 T CA -0.604 61.499 62.100 0.006 0.000 1.013 170 T CB 0.461 69.339 68.868 0.017 0.000 0.912 170 T HN 0.422 nan 8.240 nan 0.000 0.484 171 L N 4.472 125.698 121.223 0.006 0.000 2.361 171 L HA 0.314 4.655 4.340 0.000 0.000 0.278 171 L C 0.837 177.714 176.870 0.012 0.000 1.113 171 L CA 0.331 55.171 54.840 -0.000 0.000 0.849 171 L CB 0.292 42.341 42.059 -0.018 0.000 1.155 171 L HN 0.483 nan 8.230 nan 0.000 0.452 172 N N 2.554 121.268 118.700 0.022 0.000 2.230 172 N HA -0.002 4.738 4.740 0.000 0.000 0.202 172 N C 0.880 176.388 175.510 -0.003 0.000 1.119 172 N CA 0.511 53.584 53.050 0.037 0.000 0.851 172 N CB 0.367 38.912 38.487 0.097 0.000 0.990 172 N HN 0.760 nan 8.380 nan 0.000 0.497 173 T N 1.118 115.655 114.554 -0.029 0.000 2.653 173 T HA -0.212 4.139 4.350 0.000 0.000 0.268 173 T C 1.951 176.636 174.700 -0.025 0.000 1.035 173 T CA 1.405 63.476 62.100 -0.049 0.000 1.154 173 T CB 0.087 68.917 68.868 -0.064 0.000 0.862 173 T HN 0.263 nan 8.240 nan 0.000 0.441 174 K N 0.696 121.092 120.400 -0.006 0.000 2.025 174 K HA 0.102 4.422 4.320 0.000 0.000 0.207 174 K C 2.614 179.222 176.600 0.014 0.000 1.049 174 K CA 0.981 57.273 56.287 0.009 0.000 0.933 174 K CB -0.367 32.145 32.500 0.020 0.000 0.714 174 K HN 0.290 nan 8.250 nan 0.000 0.438 175 A N 1.126 123.965 122.820 0.031 0.000 1.865 175 A HA -0.192 4.128 4.320 0.000 0.000 0.217 175 A C 2.112 179.674 177.584 -0.037 0.000 1.191 175 A CA 1.755 53.828 52.037 0.060 0.000 0.623 175 A CB -0.754 18.297 19.000 0.084 0.000 0.826 175 A HN 0.296 nan 8.150 nan 0.000 0.444 176 I N -1.037 119.489 120.570 -0.072 0.000 2.226 176 I HA -0.280 3.890 4.170 0.000 0.000 0.245 176 I C 2.770 178.785 176.117 -0.169 0.000 1.100 176 I CA 1.789 63.004 61.300 -0.141 0.000 1.374 176 I CB -0.303 37.619 38.000 -0.130 0.000 1.057 176 I HN 0.380 nan 8.210 nan 0.000 0.413 177 Q N 0.768 120.504 119.800 -0.106 0.000 2.084 177 Q HA -0.261 4.080 4.340 0.000 0.000 0.202 177 Q C 2.165 178.081 176.000 -0.141 0.000 0.978 177 Q CA 1.735 57.491 55.803 -0.078 0.000 0.844 177 Q CB -0.174 28.564 28.738 -0.000 0.000 0.898 177 Q HN 0.396 nan 8.270 nan 0.000 0.426 178 Q N -0.870 118.835 119.800 -0.158 0.000 2.077 178 Q HA -0.204 4.137 4.340 0.000 0.000 0.206 178 Q C 1.905 177.505 176.000 -0.667 0.000 0.989 178 Q CA 2.037 57.712 55.803 -0.214 0.000 0.853 178 Q CB -0.388 28.355 28.738 0.009 0.000 0.907 178 Q HN 0.519 nan 8.270 nan 0.000 0.418 179 A N 0.076 122.302 122.820 -0.989 0.000 1.902 179 A HA -0.181 4.139 4.320 0.000 0.000 0.217 179 A C 1.987 179.240 177.584 -0.552 0.000 1.181 179 A CA 1.437 52.731 52.037 -1.239 0.000 0.623 179 A CB -0.664 17.868 19.000 -0.779 0.000 0.818 179 A HN 0.428 nan 8.150 nan 0.000 0.443 180 I N -0.180 120.191 120.570 -0.331 0.000 2.315 180 I HA -0.212 3.958 4.170 0.000 0.000 0.248 180 I C 1.847 177.885 176.117 -0.132 0.000 1.117 180 I CA 1.293 62.485 61.300 -0.180 0.000 1.404 180 I CB -0.420 37.510 38.000 -0.117 0.000 1.071 180 I HN 0.225 nan 8.210 nan 0.000 0.419 181 D N 0.643 120.960 120.400 -0.139 0.000 2.097 181 D HA -0.142 4.498 4.640 0.000 0.000 0.195 181 D C 1.916 178.183 176.300 -0.055 0.000 0.989 181 D CA 1.726 55.683 54.000 -0.071 0.000 0.827 181 D CB -0.263 40.506 40.800 -0.053 0.000 0.966 181 D HN 0.302 nan 8.370 nan 0.000 0.456 182 S N -0.192 115.451 115.700 -0.095 0.000 3.033 182 S HA 0.112 4.582 4.470 0.000 0.000 0.258 182 S C 0.140 174.743 174.600 0.005 0.000 1.207 182 S CA -0.642 57.561 58.200 0.005 0.000 1.248 182 S CB -0.952 62.335 63.200 0.145 0.000 0.932 182 S HN 0.105 nan 8.310 nan 0.000 0.472 183 c N 2.140 120.731 118.600 -0.015 0.000 2.301 183 c HA 0.493 5.063 4.570 0.000 0.000 0.323 183 c C 0.434 174.532 174.090 0.014 0.000 1.265 183 c CA -0.930 55.394 56.329 -0.007 0.000 1.503 183 c CB 0.347 42.838 42.510 -0.033 0.000 2.195 183 c HN 0.667 nan 8.230 nan 0.000 0.477 184 K N 4.242 124.657 120.400 0.024 0.000 2.258 184 K HA 0.259 4.580 4.320 0.000 0.000 0.264 184 K C -2.373 174.243 176.600 0.026 0.000 1.007 184 K CA -0.915 55.389 56.287 0.028 0.000 0.941 184 K CB 0.430 32.949 32.500 0.031 0.000 0.966 184 K HN 0.393 nan 8.250 nan 0.000 0.480 185 P HA -0.053 nan 4.420 nan 0.000 0.260 185 P C 0.262 177.581 177.300 0.031 0.000 1.185 185 P CA 0.905 64.024 63.100 0.032 0.000 0.763 185 P CB 0.379 32.101 31.700 0.036 0.000 0.776 186 G N 1.884 110.701 108.800 0.027 0.000 2.179 186 G HA2 -0.243 3.717 3.960 0.000 0.000 0.220 186 G HA3 -0.243 3.717 3.960 0.000 0.000 0.220 186 G C 0.423 175.335 174.900 0.020 0.000 0.990 186 G CA -0.200 44.915 45.100 0.025 0.000 0.646 186 G HN 0.797 nan 8.290 nan 0.000 0.517 187 c N -0.493 118.116 118.600 0.016 0.000 2.758 187 c HA 0.782 5.353 4.570 0.000 0.000 0.371 187 c C 0.767 174.858 174.090 0.002 0.000 1.342 187 c CA -0.547 55.789 56.329 0.011 0.000 2.257 187 c CB 0.777 43.291 42.510 0.005 0.000 2.621 187 c HN 0.774 nan 8.230 nan 0.000 0.730 188 R N 0.745 121.245 120.500 0.000 0.000 2.473 188 R HA 0.557 4.897 4.340 0.000 0.000 0.303 188 R C -1.617 174.671 176.300 -0.020 0.000 1.002 188 R CA -0.399 55.695 56.100 -0.009 0.000 0.884 188 R CB 1.388 31.688 30.300 0.000 0.000 1.173 188 R HN 0.788 nan 8.270 nan 0.000 0.464 189 V N 4.865 124.752 119.914 -0.045 0.000 2.455 189 V HA 0.164 4.285 4.120 0.000 0.000 0.273 189 V C 0.138 176.190 176.094 -0.071 0.000 1.045 189 V CA -0.139 62.120 62.300 -0.068 0.000 0.976 189 V CB 1.211 32.968 31.823 -0.110 0.000 0.993 189 V HN 0.680 nan 8.190 nan 0.000 0.475 190 E N 5.463 125.626 120.200 -0.062 0.000 2.156 190 E HA 0.468 4.819 4.350 0.000 0.000 0.279 190 E C -0.736 175.791 176.600 -0.122 0.000 0.965 190 E CA -0.457 55.902 56.400 -0.068 0.000 0.789 190 E CB 2.579 32.260 29.700 -0.032 0.000 1.098 190 E HN 0.534 nan 8.360 nan 0.000 0.397 191 I N 5.260 125.737 120.570 -0.154 0.000 2.361 191 I HA 0.166 4.336 4.170 0.000 0.000 0.282 191 I C -2.010 174.023 176.117 -0.139 0.000 1.075 191 I CA -2.029 59.114 61.300 -0.263 0.000 1.205 191 I CB 0.914 38.736 38.000 -0.297 0.000 1.406 191 I HN 0.111 nan 8.210 nan 0.000 0.481 192 P HA 0.012 nan 4.420 nan 0.000 0.272 192 P C -0.003 177.396 177.300 0.165 0.000 1.248 192 P CA -0.328 62.801 63.100 0.048 0.000 0.799 192 P CB 0.544 32.287 31.700 0.072 0.000 0.997 193 A N -0.218 122.680 122.820 0.130 0.000 2.587 193 A HA 0.398 4.719 4.320 0.000 0.000 0.233 193 A C 0.880 178.568 177.584 0.175 0.000 1.049 193 A CA 1.258 53.370 52.037 0.125 0.000 0.754 193 A CB -1.548 17.489 19.000 0.062 0.000 0.977 193 A HN 0.958 nan 8.150 nan 0.000 0.509 194 G N 0.237 109.090 108.800 0.087 0.000 2.375 194 G HA2 0.369 4.330 3.960 0.000 0.000 0.663 194 G HA3 0.369 4.330 3.960 0.000 0.000 0.663 194 G C -0.608 174.168 174.900 -0.207 0.000 1.391 194 G CA -0.333 44.681 45.100 -0.144 0.000 0.949 194 G HN 1.181 nan 8.290 nan 0.000 0.646 195 T N 1.691 116.036 114.554 -0.347 0.000 2.781 195 T HA 0.528 4.878 4.350 0.000 0.000 0.305 195 T C -0.782 173.715 174.700 -0.337 0.000 1.001 195 T CA 0.132 62.108 62.100 -0.207 0.000 0.950 195 T CB 0.178 68.978 68.868 -0.113 0.000 0.955 195 T HN 0.402 nan 8.240 nan 0.000 0.471 196 Y N 2.485 122.773 120.300 -0.020 0.000 2.491 196 Y HA 0.370 4.920 4.550 0.000 0.000 0.334 196 Y C 0.725 176.606 175.900 -0.032 0.000 0.969 196 Y CA -1.137 56.948 58.100 -0.025 0.000 1.241 196 Y CB 0.701 39.144 38.460 -0.029 0.000 1.105 196 Y HN 0.435 nan 8.280 nan 0.000 0.503 197 K N 2.220 122.659 120.400 0.066 0.000 2.436 197 K HA 0.341 4.661 4.320 0.000 0.000 0.275 197 K C -0.138 176.475 176.600 0.022 0.000 0.999 197 K CA 0.204 56.510 56.287 0.031 0.000 0.980 197 K CB 0.520 33.024 32.500 0.007 0.000 0.919 197 K HN 0.627 nan 8.250 nan 0.000 0.484 198 S N 1.897 117.586 115.700 -0.018 0.000 2.565 198 S HA 0.629 5.099 4.470 0.000 0.000 0.269 198 S C -0.540 173.964 174.600 -0.161 0.000 1.153 198 S CA -0.441 57.717 58.200 -0.071 0.000 0.835 198 S CB 1.378 64.539 63.200 -0.065 0.000 1.122 198 S HN 0.814 nan 8.310 nan 0.000 0.462 199 G N 1.059 109.701 108.800 -0.264 0.000 2.583 199 G HA2 0.680 4.640 3.960 0.000 0.000 0.280 199 G HA3 0.680 4.640 3.960 0.000 0.000 0.280 199 G C 0.155 174.769 174.900 -0.476 0.000 1.376 199 G CA -0.274 44.482 45.100 -0.574 0.000 1.043 199 G HN 1.307 nan 8.290 nan 0.000 0.538 200 A N -0.935 121.534 122.820 -0.585 0.000 2.567 200 A HA 0.463 4.783 4.320 0.000 0.000 0.240 200 A C 0.004 177.334 177.584 -0.424 0.000 1.053 200 A CA 0.426 52.216 52.037 -0.413 0.000 0.755 200 A CB -0.384 18.405 19.000 -0.352 0.000 0.978 200 A HN 0.507 nan 8.150 nan 0.000 0.507 201 L N 0.851 121.753 121.223 -0.535 0.000 2.319 201 L HA 0.663 5.003 4.340 0.000 0.000 0.267 201 L C -1.098 175.396 176.870 -0.628 0.000 1.011 201 L CA -0.591 54.015 54.840 -0.391 0.000 0.818 201 L CB 1.883 43.803 42.059 -0.231 0.000 1.316 201 L HN 0.836 nan 8.230 nan 0.000 0.432 202 W N 2.204 123.446 121.300 -0.096 0.000 2.554 202 W HA 0.630 5.291 4.660 0.001 0.000 0.324 202 W C -0.703 175.743 176.519 -0.122 0.000 1.018 202 W CA -0.260 57.027 57.345 -0.097 0.000 1.243 202 W CB 0.950 30.381 29.460 -0.049 0.000 1.345 202 W HN 0.151 nan 8.180 nan 0.000 0.441 203 L N 3.509 124.713 121.223 -0.032 0.000 2.469 203 L HA 0.624 4.965 4.340 0.000 0.000 0.253 203 L C 0.289 177.110 176.870 -0.083 0.000 1.143 203 L CA -0.935 53.845 54.840 -0.100 0.000 0.804 203 L CB 0.879 42.823 42.059 -0.192 0.000 1.214 203 L HN 0.433 nan 8.230 nan 0.000 0.476 204 K N -1.194 119.186 120.400 -0.033 0.000 2.495 204 K HA 0.513 4.833 4.320 0.000 0.000 0.268 204 K C -0.946 175.719 176.600 0.108 0.000 1.008 204 K CA -0.823 55.526 56.287 0.105 0.000 0.882 204 K CB 1.386 33.965 32.500 0.132 0.000 1.443 204 K HN 0.328 nan 8.250 nan 0.000 0.447 205 S N 1.296 117.139 115.700 0.238 0.000 2.560 205 S HA -0.007 4.463 4.470 0.000 0.000 0.276 205 S C -0.493 174.164 174.600 0.094 0.000 1.350 205 S CA 0.399 58.707 58.200 0.180 0.000 1.024 205 S CB -0.243 63.072 63.200 0.191 0.000 0.864 205 S HN 0.818 nan 8.310 nan 0.000 0.536 206 D N 0.601 121.047 120.400 0.076 0.000 2.737 206 D HA -0.173 4.467 4.640 0.000 0.000 0.238 206 D C -0.296 176.023 176.300 0.031 0.000 1.157 206 D CA 1.108 55.138 54.000 0.050 0.000 0.694 206 D CB -1.260 39.571 40.800 0.052 0.000 1.021 206 D HN 0.635 nan 8.370 nan 0.000 0.420 207 M N -3.049 116.562 119.600 0.019 0.000 2.683 207 M HA 0.618 5.098 4.480 0.000 0.000 0.274 207 M C -1.180 175.115 176.300 -0.007 0.000 1.272 207 M CA -0.698 54.602 55.300 0.000 0.000 0.833 207 M CB 2.665 35.258 32.600 -0.012 0.000 1.708 207 M HN -0.222 nan 8.290 nan 0.000 0.463 208 T N 2.212 116.757 114.554 -0.015 0.000 2.881 208 T HA 0.659 5.009 4.350 0.000 0.000 0.290 208 T C -1.652 173.026 174.700 -0.037 0.000 1.000 208 T CA -0.577 61.516 62.100 -0.012 0.000 0.978 208 T CB 1.700 70.569 68.868 0.002 0.000 0.997 208 T HN 0.655 nan 8.240 nan 0.000 0.443 209 L N 4.036 125.225 121.223 -0.057 0.000 2.280 209 L HA 0.676 5.016 4.340 0.000 0.000 0.287 209 L C -0.547 176.275 176.870 -0.081 0.000 1.023 209 L CA -0.427 54.358 54.840 -0.092 0.000 0.819 209 L CB 0.918 42.893 42.059 -0.140 0.000 1.212 209 L HN 0.551 nan 8.230 nan 0.000 0.420 210 N N 4.313 122.972 118.700 -0.068 0.000 2.446 210 N HA 0.501 5.241 4.740 0.000 0.000 0.265 210 N C -1.559 173.913 175.510 -0.064 0.000 0.975 210 N CA -0.352 52.672 53.050 -0.043 0.000 0.928 210 N CB 0.887 39.364 38.487 -0.016 0.000 1.160 210 N HN 0.586 nan 8.380 nan 0.000 0.495 211 L N 2.780 123.966 121.223 -0.062 0.000 2.261 211 L HA 0.366 4.707 4.340 0.000 0.000 0.289 211 L C 0.767 177.629 176.870 -0.014 0.000 1.059 211 L CA -0.331 54.475 54.840 -0.057 0.000 0.816 211 L CB 0.905 42.917 42.059 -0.080 0.000 1.191 211 L HN 0.444 nan 8.230 nan 0.000 0.431 212 Q N 1.724 121.519 119.800 -0.009 0.000 2.318 212 Q HA 0.573 4.914 4.340 0.000 0.000 0.222 212 Q C 0.220 176.230 176.000 0.016 0.000 1.003 212 Q CA -0.841 54.967 55.803 0.007 0.000 0.936 212 Q CB 0.977 29.721 28.738 0.010 0.000 1.204 212 Q HN 0.748 nan 8.270 nan 0.000 0.524 213 A N 0.490 123.319 122.820 0.015 0.000 2.561 213 A HA 0.319 4.639 4.320 0.000 0.000 0.251 213 A C 1.112 178.709 177.584 0.021 0.000 1.062 213 A CA 0.969 53.013 52.037 0.013 0.000 0.761 213 A CB -1.139 17.866 19.000 0.008 0.000 0.986 213 A HN 0.956 nan 8.150 nan 0.000 0.510 214 G N 1.158 109.970 108.800 0.020 0.000 2.217 214 G HA2 0.144 4.105 3.960 0.000 0.000 0.246 214 G HA3 0.144 4.105 3.960 0.000 0.000 0.246 214 G C 0.588 175.519 174.900 0.051 0.000 0.990 214 G CA 0.336 45.453 45.100 0.027 0.000 0.627 214 G HN 2.251 nan 8.290 nan 0.000 0.522 215 A N 0.333 123.191 122.820 0.064 0.000 2.450 215 A HA 0.669 4.989 4.320 0.000 0.000 0.255 215 A C 0.232 177.865 177.584 0.081 0.000 1.096 215 A CA 0.338 52.438 52.037 0.105 0.000 0.778 215 A CB 0.114 19.152 19.000 0.064 0.000 1.031 215 A HN 0.846 nan 8.150 nan 0.000 0.494 216 I N 3.252 123.894 120.570 0.120 0.000 2.411 216 I HA 0.178 4.348 4.170 0.000 0.000 0.284 216 I C -0.702 175.481 176.117 0.110 0.000 1.012 216 I CA -0.631 60.716 61.300 0.077 0.000 1.119 216 I CB 1.698 39.726 38.000 0.047 0.000 1.261 216 I HN 0.552 nan 8.210 nan 0.000 0.448 217 L N 7.865 129.114 121.223 0.044 0.000 2.295 217 L HA 0.353 4.693 4.340 0.000 0.000 0.288 217 L C -0.747 176.129 176.870 0.009 0.000 1.079 217 L CA -0.123 54.730 54.840 0.021 0.000 0.830 217 L CB 0.595 42.617 42.059 -0.062 0.000 1.200 217 L HN 0.461 nan 8.230 nan 0.000 0.438 218 L N 5.380 126.622 121.223 0.032 0.000 2.275 218 L HA 0.641 4.981 4.340 0.000 0.000 0.288 218 L C 0.706 177.589 176.870 0.021 0.000 1.046 218 L CA 0.000 54.853 54.840 0.021 0.000 0.805 218 L CB 1.098 43.170 42.059 0.023 0.000 1.193 218 L HN 0.652 nan 8.230 nan 0.000 0.426 219 G N 2.870 111.688 108.800 0.029 0.000 2.432 219 G HA2 0.224 4.184 3.960 0.000 0.000 0.239 219 G HA3 0.224 4.184 3.960 0.000 0.000 0.239 219 G C -0.038 174.919 174.900 0.094 0.000 1.291 219 G CA -0.025 45.131 45.100 0.093 0.000 0.863 219 G HN 0.795 nan 8.290 nan 0.000 0.560 220 S N 0.168 115.939 115.700 0.119 0.000 2.585 220 S HA 0.094 4.564 4.470 0.000 0.000 0.273 220 S C 1.381 176.086 174.600 0.176 0.000 1.339 220 S CA 0.110 58.359 58.200 0.081 0.000 1.028 220 S CB 0.900 64.076 63.200 -0.041 0.000 0.906 220 S HN 0.739 nan 8.310 nan 0.000 0.528 221 E N 2.823 123.073 120.200 0.084 0.000 2.474 221 E HA -0.002 4.348 4.350 0.000 0.000 0.195 221 E C -0.150 176.488 176.600 0.063 0.000 1.039 221 E CA -0.055 56.372 56.400 0.046 0.000 0.881 221 E CB -0.398 29.299 29.700 -0.006 0.000 0.970 221 E HN 0.495 nan 8.360 nan 0.000 0.486 222 N N 2.695 121.455 118.700 0.101 0.000 2.401 222 N HA 0.115 4.855 4.740 0.000 0.000 0.255 222 N C -1.951 173.654 175.510 0.159 0.000 1.110 222 N CA -2.316 50.781 53.050 0.078 0.000 0.949 222 N CB 1.514 40.019 38.487 0.030 0.000 1.110 222 N HN -0.199 nan 8.380 nan 0.000 0.490 223 P HA -0.078 nan 4.420 nan 0.000 0.224 223 P C 0.124 177.515 177.300 0.151 0.000 1.142 223 P CA 0.974 64.152 63.100 0.130 0.000 0.778 223 P CB 0.405 32.121 31.700 0.026 0.000 0.764 224 D N -1.220 119.233 120.400 0.088 0.000 2.289 224 D HA -0.069 4.571 4.640 0.000 0.000 0.207 224 D C 1.187 177.494 176.300 0.012 0.000 0.966 224 D CA 0.844 54.871 54.000 0.045 0.000 0.868 224 D CB -0.418 40.392 40.800 0.017 0.000 0.943 224 D HN 0.169 nan 8.370 nan 0.000 0.514 225 D N -0.556 119.810 120.400 -0.057 0.000 2.340 225 D HA -0.034 4.606 4.640 0.000 0.000 0.220 225 D C -0.374 175.652 176.300 -0.457 0.000 1.039 225 D CA 0.211 54.052 54.000 -0.265 0.000 0.866 225 D CB 0.306 40.868 40.800 -0.397 0.000 0.913 225 D HN 0.306 nan 8.370 nan 0.000 0.523 226 Y N 0.873 121.180 120.300 0.013 0.000 2.749 226 Y HA 0.287 4.838 4.550 0.000 0.000 0.343 226 Y C -2.095 173.844 175.900 0.064 0.000 1.015 226 Y CA -2.086 56.024 58.100 0.017 0.000 1.270 226 Y CB 1.421 39.858 38.460 -0.039 0.000 1.097 226 Y HN -0.114 nan 8.280 nan 0.000 0.571 227 P HA 0.315 nan 4.420 nan 0.000 0.282 227 P C -0.184 177.253 177.300 0.228 0.000 1.287 227 P CA -0.650 62.569 63.100 0.198 0.000 0.792 227 P CB 0.788 32.596 31.700 0.180 0.000 1.163 228 A N -0.152 122.759 122.820 0.151 0.000 2.587 228 A HA 0.351 4.672 4.320 0.000 0.000 0.235 228 A C 1.337 179.068 177.584 0.245 0.000 1.044 228 A CA 0.897 53.012 52.037 0.131 0.000 0.754 228 A CB -1.008 18.032 19.000 0.067 0.000 0.968 228 A HN 0.691 nan 8.150 nan 0.000 0.509 229 G N 0.582 109.521 108.800 0.232 0.000 2.850 229 G HA2 0.473 4.433 3.960 0.000 0.000 0.207 229 G HA3 0.473 4.433 3.960 0.000 0.000 0.207 229 G C 0.007 175.163 174.900 0.426 0.000 1.174 229 G CA 0.742 46.085 45.100 0.405 0.000 0.844 229 G HN 1.474 nan 8.290 nan 0.000 0.635 230 Y N -1.524 118.836 120.300 0.100 0.000 2.732 230 Y HA 0.754 5.304 4.550 0.000 0.000 0.342 230 Y C -1.231 174.682 175.900 0.023 0.000 1.203 230 Y CA -1.738 56.403 58.100 0.069 0.000 1.092 230 Y CB 0.815 39.317 38.460 0.070 0.000 1.345 230 Y HN 0.030 nan 8.280 nan 0.000 0.458 231 R N 1.919 122.422 120.500 0.004 0.000 2.393 231 R HA 0.409 4.750 4.340 0.000 0.000 0.310 231 R C 0.394 176.719 176.300 0.041 0.000 0.968 231 R CA -0.903 55.133 56.100 -0.107 0.000 0.867 231 R CB 2.018 32.290 30.300 -0.047 0.000 1.124 231 R HN 0.817 nan 8.270 nan 0.000 0.450 232 L N 2.957 124.126 121.223 -0.089 0.000 1.990 232 L HA -0.127 4.213 4.340 0.000 0.000 0.213 232 L C -0.212 176.396 176.870 -0.437 0.000 1.072 232 L CA 1.961 56.691 54.840 -0.183 0.000 0.755 232 L CB -0.093 41.707 42.059 -0.432 0.000 0.889 232 L HN 0.459 nan 8.230 nan 0.000 0.432 233 Y N -1.516 118.680 120.300 -0.174 0.000 2.587 233 Y HA 0.394 4.944 4.550 0.000 0.000 0.337 233 Y C -1.404 174.253 175.900 -0.404 0.000 1.065 233 Y CA -2.793 55.032 58.100 -0.459 0.000 1.126 233 Y CB -0.293 37.483 38.460 -1.140 0.000 1.279 233 Y HN -0.160 nan 8.280 nan 0.000 0.489 234 P HA -0.195 nan 4.420 nan 0.000 0.219 234 P C 0.342 177.676 177.300 0.056 0.000 1.146 234 P CA 1.896 65.006 63.100 0.016 0.000 0.808 234 P CB -0.112 31.672 31.700 0.140 0.000 0.779 235 Y N -2.598 117.791 120.300 0.147 0.000 2.493 235 Y HA 0.500 5.050 4.550 0.000 0.000 0.275 235 Y C 0.504 176.489 175.900 0.141 0.000 1.183 235 Y CA -0.916 57.258 58.100 0.122 0.000 1.258 235 Y CB -0.784 37.739 38.460 0.105 0.000 1.108 235 Y HN -0.282 nan 8.280 nan 0.000 0.521 236 S N 1.368 117.067 115.700 -0.002 0.000 2.465 236 S HA 0.116 4.587 4.470 0.000 0.000 0.279 236 S C 1.183 175.807 174.600 0.040 0.000 1.201 236 S CA 0.057 58.278 58.200 0.035 0.000 1.053 236 S CB 0.947 64.108 63.200 -0.065 0.000 0.953 236 S HN 0.621 nan 8.310 nan 0.000 0.488 237 T N 0.448 115.040 114.554 0.064 0.000 3.057 237 T HA 0.275 4.625 4.350 0.000 0.000 0.254 237 T C 0.486 175.190 174.700 0.007 0.000 1.094 237 T CA 0.312 62.438 62.100 0.044 0.000 1.088 237 T CB -0.277 68.627 68.868 0.060 0.000 0.934 237 T HN 0.488 nan 8.240 nan 0.000 0.497 238 I N 2.185 122.746 120.570 -0.014 0.000 2.321 238 I HA 0.414 4.584 4.170 0.000 0.000 0.291 238 I C -0.040 176.017 176.117 -0.101 0.000 0.998 238 I CA -1.019 60.252 61.300 -0.048 0.000 1.227 238 I CB 1.565 39.538 38.000 -0.046 0.000 1.368 238 I HN 0.062 nan 8.210 nan 0.000 0.466 239 E N 6.773 126.913 120.200 -0.100 0.000 2.360 239 E HA 0.238 4.588 4.350 0.000 0.000 0.269 239 E C -0.656 175.824 176.600 -0.200 0.000 1.022 239 E CA -0.068 56.248 56.400 -0.139 0.000 0.887 239 E CB 0.731 30.387 29.700 -0.074 0.000 0.990 239 E HN 0.387 nan 8.360 nan 0.000 0.426 240 R N 4.744 125.043 120.500 -0.336 0.000 2.668 240 R HA 0.447 4.788 4.340 0.000 0.000 0.279 240 R C -2.060 174.120 176.300 -0.201 0.000 0.976 240 R CA -2.069 53.812 56.100 -0.366 0.000 0.978 240 R CB 1.206 31.112 30.300 -0.656 0.000 1.133 240 R HN 0.560 nan 8.270 nan 0.000 0.484 241 P HA 0.073 nan 4.420 nan 0.000 0.274 241 P C -0.841 176.528 177.300 0.114 0.000 1.256 241 P CA -0.357 62.751 63.100 0.013 0.000 0.795 241 P CB 0.520 32.208 31.700 -0.021 0.000 1.038 242 A N 1.419 124.349 122.820 0.183 0.000 2.483 242 A HA 0.270 4.590 4.320 0.000 0.000 0.238 242 A C 0.751 178.371 177.584 0.060 0.000 1.070 242 A CA 0.150 52.251 52.037 0.106 0.000 0.770 242 A CB -0.753 18.221 19.000 -0.042 0.000 1.008 242 A HN 0.526 nan 8.150 nan 0.000 0.497 243 S N 0.227 115.908 115.700 -0.032 0.000 2.626 243 S HA 0.189 4.659 4.470 0.000 0.000 0.257 243 S C 1.464 176.041 174.600 -0.039 0.000 1.288 243 S CA -0.248 57.920 58.200 -0.054 0.000 0.980 243 S CB 0.381 63.524 63.200 -0.095 0.000 0.975 243 S HN 0.734 nan 8.310 nan 0.000 0.577 244 L N 0.693 121.910 121.223 -0.010 0.000 2.046 244 L HA 0.189 4.529 4.340 0.000 0.000 0.208 244 L C 0.129 176.887 176.870 -0.188 0.000 1.077 244 L CA 1.902 56.744 54.840 0.002 0.000 0.747 244 L CB -0.313 41.745 42.059 -0.002 0.000 0.896 244 L HN 0.550 nan 8.230 nan 0.000 0.432 245 I N 0.250 120.683 120.570 -0.228 0.000 2.465 245 I HA 0.298 4.468 4.170 0.000 0.000 0.291 245 I C -0.725 175.196 176.117 -0.327 0.000 1.014 245 I CA -0.451 60.673 61.300 -0.294 0.000 1.093 245 I CB 1.536 39.376 38.000 -0.266 0.000 1.267 245 I HN 0.044 nan 8.210 nan 0.000 0.431 246 N N 4.570 123.025 118.700 -0.409 0.000 2.240 246 N HA 0.713 5.453 4.740 0.000 0.000 0.302 246 N C -1.109 174.223 175.510 -0.297 0.000 1.106 246 N CA -0.703 52.117 53.050 -0.383 0.000 0.778 246 N CB 2.678 40.785 38.487 -0.632 0.000 1.431 246 N HN 0.596 nan 8.380 nan 0.000 0.479 247 A N 2.254 124.893 122.820 -0.301 0.000 2.893 247 A HA 0.543 4.863 4.320 0.000 0.000 0.333 247 A C -0.666 176.725 177.584 -0.321 0.000 1.152 247 A CA -0.475 51.223 52.037 -0.565 0.000 0.782 247 A CB -0.323 18.237 19.000 -0.733 0.000 1.108 247 A HN 0.590 nan 8.150 nan 0.000 0.469 248 I N 1.571 122.203 120.570 0.104 0.000 2.439 248 I HA 0.243 4.413 4.170 0.000 0.000 0.285 248 I C -0.729 175.718 176.117 0.550 0.000 1.021 248 I CA -0.553 60.978 61.300 0.386 0.000 1.091 248 I CB 2.002 40.214 38.000 0.354 0.000 1.242 248 I HN 0.507 nan 8.210 nan 0.000 0.439 249 D N 8.936 129.635 120.400 0.499 0.000 2.317 249 D HA 0.153 4.793 4.640 0.000 0.000 0.252 249 D C -1.459 174.924 176.300 0.138 0.000 1.174 249 D CA -1.527 52.602 54.000 0.215 0.000 0.866 249 D CB 1.968 42.745 40.800 -0.039 0.000 1.127 249 D HN 0.288 nan 8.370 nan 0.000 0.467 250 P HA -0.149 nan 4.420 nan 0.000 0.220 250 P C 0.500 177.829 177.300 0.048 0.000 1.144 250 P CA 1.051 64.178 63.100 0.045 0.000 0.800 250 P CB 0.542 32.227 31.700 -0.026 0.000 0.772 251 N N -1.308 117.412 118.700 0.035 0.000 2.510 251 N HA 0.050 4.790 4.740 0.000 0.000 0.186 251 N C 0.320 175.853 175.510 0.037 0.000 1.051 251 N CA 0.436 53.502 53.050 0.027 0.000 0.877 251 N CB 0.171 38.660 38.487 0.003 0.000 1.183 251 N HN 0.167 nan 8.380 nan 0.000 0.443 252 N N -0.501 118.220 118.700 0.035 0.000 2.235 252 N HA 0.164 4.904 4.740 0.000 0.000 0.293 252 N C 0.002 175.540 175.510 0.047 0.000 1.083 252 N CA -0.170 52.897 53.050 0.029 0.000 0.801 252 N CB 2.112 40.594 38.487 -0.009 0.000 1.559 252 N HN -0.054 nan 8.380 nan 0.000 0.472 253 S N -0.577 115.156 115.700 0.056 0.000 2.524 253 S HA 0.091 4.561 4.470 0.000 0.000 0.215 253 S C 0.675 175.304 174.600 0.049 0.000 0.986 253 S CA -0.083 58.161 58.200 0.073 0.000 0.911 253 S CB 0.527 63.781 63.200 0.090 0.000 0.805 253 S HN 0.367 nan 8.310 nan 0.000 0.501 254 K N 3.338 123.751 120.400 0.021 0.000 2.472 254 K HA 0.108 4.429 4.320 0.000 0.000 0.280 254 K C -2.777 173.801 176.600 -0.038 0.000 1.028 254 K CA -1.489 54.797 56.287 -0.002 0.000 1.045 254 K CB 0.190 32.687 32.500 -0.006 0.000 0.902 254 K HN 0.112 nan 8.250 nan 0.000 0.478 255 P HA -0.010 nan 4.420 nan 0.000 0.262 255 P C 0.285 177.509 177.300 -0.127 0.000 1.199 255 P CA 0.563 63.542 63.100 -0.201 0.000 0.763 255 P CB 0.603 31.930 31.700 -0.622 0.000 0.790 256 G N 2.301 111.070 108.800 -0.052 0.000 2.255 256 G HA2 -0.242 3.719 3.960 0.000 0.000 0.196 256 G HA3 -0.242 3.719 3.960 0.000 0.000 0.196 256 G C 1.199 176.069 174.900 -0.050 0.000 0.998 256 G CA 0.299 45.390 45.100 -0.016 0.000 0.656 256 G HN 0.399 nan 8.290 nan 0.000 0.490 257 T N 0.664 115.155 114.554 -0.104 0.000 2.720 257 T HA 0.163 4.514 4.350 0.000 0.000 0.268 257 T C 0.834 175.217 174.700 -0.528 0.000 1.037 257 T CA 1.562 63.480 62.100 -0.304 0.000 1.144 257 T CB -0.158 68.506 68.868 -0.341 0.000 0.864 257 T HN 0.342 nan 8.240 nan 0.000 0.444 258 F N 0.389 120.350 119.950 0.018 0.000 2.594 258 F HA 0.648 5.175 4.527 0.000 0.000 0.335 258 F C 0.411 176.228 175.800 0.028 0.000 1.058 258 F CA -1.484 56.531 58.000 0.025 0.000 0.981 258 F CB 1.314 40.332 39.000 0.030 0.000 1.289 258 F HN -0.115 nan 8.300 nan 0.000 0.490 259 R N -0.151 120.494 120.500 0.241 0.000 2.680 259 R HA 0.465 4.806 4.340 0.000 0.000 0.269 259 R C -1.568 174.810 176.300 0.130 0.000 1.026 259 R CA -1.034 55.158 56.100 0.154 0.000 0.889 259 R CB 1.217 31.582 30.300 0.107 0.000 1.241 259 R HN 0.633 nan 8.270 nan 0.000 0.463 260 N N 1.181 119.946 118.700 0.108 0.000 2.671 260 N HA -0.170 4.571 4.740 0.000 0.000 0.261 260 N C -0.942 174.607 175.510 0.065 0.000 1.053 260 N CA 1.085 54.182 53.050 0.079 0.000 0.732 260 N CB -1.215 37.310 38.487 0.063 0.000 0.887 260 N HN 0.588 nan 8.380 nan 0.000 0.546 261 I N 0.624 121.235 120.570 0.068 0.000 2.377 261 I HA 0.379 4.550 4.170 0.000 0.000 0.293 261 I C 0.569 176.720 176.117 0.057 0.000 0.987 261 I CA -0.544 60.778 61.300 0.036 0.000 1.185 261 I CB 1.479 39.473 38.000 -0.010 0.000 1.341 261 I HN -0.055 nan 8.210 nan 0.000 0.455 262 R N 6.726 127.253 120.500 0.044 0.000 2.575 262 R HA 0.725 5.066 4.340 0.000 0.000 0.293 262 R C -1.346 174.982 176.300 0.046 0.000 0.983 262 R CA -0.713 55.443 56.100 0.094 0.000 0.887 262 R CB 2.594 32.961 30.300 0.111 0.000 1.184 262 R HN 0.542 nan 8.270 nan 0.000 0.445 263 I N 2.126 122.736 120.570 0.067 0.000 2.478 263 I HA 0.429 4.599 4.170 0.000 0.000 0.287 263 I C -0.054 176.165 176.117 0.170 0.000 1.042 263 I CA -0.606 60.708 61.300 0.023 0.000 1.067 263 I CB 2.213 40.139 38.000 -0.123 0.000 1.233 263 I HN 0.739 nan 8.210 nan 0.000 0.431 264 T N 1.413 116.038 114.554 0.119 0.000 2.681 264 T HA 0.921 5.271 4.350 0.000 0.000 0.296 264 T C -0.136 174.632 174.700 0.114 0.000 1.157 264 T CA -0.491 61.693 62.100 0.140 0.000 1.025 264 T CB 1.838 70.767 68.868 0.101 0.000 1.441 264 T HN 1.393 nan 8.240 nan 0.000 0.504 265 G N 0.141 108.984 108.800 0.072 0.000 2.663 265 G HA2 0.165 4.126 3.960 0.000 0.000 0.686 265 G HA3 0.165 4.126 3.960 0.000 0.000 0.686 265 G C 0.377 175.304 174.900 0.046 0.000 1.246 265 G CA 0.338 45.464 45.100 0.043 0.000 0.795 265 G HN 2.028 nan 8.290 nan 0.000 0.627 266 S N 0.112 115.822 115.700 0.017 0.000 2.650 266 S HA 0.470 4.940 4.470 0.000 0.000 0.219 266 S C 1.456 176.063 174.600 0.011 0.000 0.960 266 S CA 0.993 59.192 58.200 -0.001 0.000 0.925 266 S CB 0.070 63.261 63.200 -0.015 0.000 0.775 266 S HN 2.027 nan 8.310 nan 0.000 0.525 267 G N 0.702 109.520 108.800 0.029 0.000 2.653 267 G HA2 0.490 4.451 3.960 0.000 0.000 0.265 267 G HA3 0.490 4.451 3.960 0.000 0.000 0.265 267 G C -0.719 174.201 174.900 0.034 0.000 1.237 267 G CA -0.493 44.620 45.100 0.022 0.000 0.946 267 G HN 0.327 nan 8.290 nan 0.000 0.522 268 V N 0.233 120.158 119.914 0.017 0.000 2.581 268 V HA 0.414 4.534 4.120 0.000 0.000 0.303 268 V C -0.071 176.013 176.094 -0.017 0.000 1.041 268 V CA -0.451 61.860 62.300 0.018 0.000 0.907 268 V CB 1.605 33.442 31.823 0.024 0.000 0.994 268 V HN 0.508 nan 8.190 nan 0.000 0.442 269 I N 3.639 124.192 120.570 -0.029 0.000 2.355 269 I HA 0.417 4.587 4.170 0.000 0.000 0.288 269 I C -0.799 175.300 176.117 -0.031 0.000 0.999 269 I CA -0.240 61.016 61.300 -0.073 0.000 1.163 269 I CB 1.516 39.413 38.000 -0.171 0.000 1.316 269 I HN 0.495 nan 8.210 nan 0.000 0.454 270 D N 4.731 125.117 120.400 -0.023 0.000 2.425 270 D HA 0.307 4.947 4.640 0.000 0.000 0.240 270 D C 0.895 177.174 176.300 -0.034 0.000 1.080 270 D CA -0.399 53.592 54.000 -0.014 0.000 0.836 270 D CB 2.238 43.048 40.800 0.018 0.000 1.125 270 D HN 0.667 nan 8.370 nan 0.000 0.525 271 G N 2.904 111.665 108.800 -0.065 0.000 2.623 271 G HA2 -0.171 3.789 3.960 0.000 0.000 0.214 271 G HA3 -0.171 3.789 3.960 0.000 0.000 0.214 271 G C 0.980 175.820 174.900 -0.099 0.000 1.138 271 G CA 0.003 45.055 45.100 -0.080 0.000 0.794 271 G HN 0.669 nan 8.290 nan 0.000 0.535 272 N N -0.988 117.656 118.700 -0.094 0.000 2.776 272 N HA -0.147 4.593 4.740 0.000 0.000 0.249 272 N C 1.381 176.790 175.510 -0.169 0.000 1.111 272 N CA 1.283 54.284 53.050 -0.080 0.000 0.711 272 N CB -1.410 37.059 38.487 -0.030 0.000 1.065 272 N HN 0.344 nan 8.380 nan 0.000 0.556 273 G N -2.226 106.418 108.800 -0.261 0.000 2.453 273 G HA2 0.199 4.159 3.960 0.000 0.000 0.215 273 G HA3 0.199 4.159 3.960 0.000 0.000 0.215 273 G C 0.145 174.556 174.900 -0.814 0.000 1.147 273 G CA 0.548 45.299 45.100 -0.581 0.000 0.802 273 G HN 0.326 nan 8.290 nan 0.000 0.535 274 W N -0.948 120.306 121.300 -0.077 0.000 3.107 274 W HA 0.629 5.289 4.660 0.000 0.000 0.331 274 W C -0.330 176.239 176.519 0.082 0.000 1.204 274 W CA -1.115 56.230 57.345 -0.001 0.000 1.184 274 W CB 1.109 30.571 29.460 0.003 0.000 1.421 274 W HN -0.213 nan 8.180 nan 0.000 0.544 275 L N 2.893 124.340 121.223 0.374 0.000 2.464 275 L HA 0.337 4.677 4.340 0.000 0.000 0.264 275 L C 1.089 178.141 176.870 0.304 0.000 1.199 275 L CA -0.674 54.325 54.840 0.266 0.000 0.818 275 L CB 0.143 42.306 42.059 0.175 0.000 1.102 275 L HN 0.297 nan 8.230 nan 0.000 0.473 276 R N 0.925 121.545 120.500 0.200 0.000 2.738 276 R HA 0.341 4.682 4.340 0.000 0.000 0.268 276 R C -0.086 176.246 176.300 0.054 0.000 1.062 276 R CA -0.245 55.911 56.100 0.093 0.000 1.158 276 R CB 0.331 30.639 30.300 0.015 0.000 1.046 276 R HN 0.713 nan 8.270 nan 0.000 0.493 277 A N 1.426 124.244 122.820 -0.003 0.000 2.296 277 A HA 0.115 4.436 4.320 0.000 0.000 0.264 277 A C 1.449 179.034 177.584 0.001 0.000 1.097 277 A CA -0.164 51.870 52.037 -0.004 0.000 0.811 277 A CB 0.302 19.290 19.000 -0.019 0.000 1.072 277 A HN 0.737 nan 8.150 nan 0.000 0.495 278 K N -0.529 119.873 120.400 0.003 0.000 2.032 278 K HA -0.145 4.176 4.320 0.000 0.000 0.218 278 K C 0.094 176.697 176.600 0.004 0.000 1.054 278 K CA 2.028 58.319 56.287 0.006 0.000 0.941 278 K CB -0.443 32.060 32.500 0.005 0.000 0.720 278 K HN 0.758 nan 8.250 nan 0.000 0.449 279 T N 0.535 115.092 114.554 0.006 0.000 2.747 279 T HA 0.299 4.649 4.350 0.000 0.000 0.301 279 T C 0.449 175.143 174.700 -0.009 0.000 0.952 279 T CA -0.150 61.952 62.100 0.003 0.000 0.983 279 T CB 1.544 70.420 68.868 0.013 0.000 0.930 279 T HN 0.245 nan 8.240 nan 0.000 0.494 280 A N 2.728 125.536 122.820 -0.021 0.000 2.072 280 A HA 0.165 4.485 4.320 0.000 0.000 0.216 280 A C 0.965 178.500 177.584 -0.081 0.000 1.156 280 A CA 0.427 52.433 52.037 -0.052 0.000 0.701 280 A CB 0.216 19.195 19.000 -0.034 0.000 0.816 280 A HN 0.658 nan 8.150 nan 0.000 0.458 281 E N 0.358 120.531 120.200 -0.046 0.000 2.308 281 E HA 0.509 4.859 4.350 0.000 0.000 0.275 281 E C -1.473 175.119 176.600 -0.013 0.000 0.890 281 E CA -0.636 55.740 56.400 -0.040 0.000 0.754 281 E CB 1.667 31.347 29.700 -0.033 0.000 1.207 281 E HN 0.406 nan 8.360 nan 0.000 0.426 282 I N -0.439 120.131 120.570 -0.001 0.000 2.863 282 I HA 0.588 4.759 4.170 0.000 0.000 0.311 282 I C -0.145 175.983 176.117 0.019 0.000 1.026 282 I CA -0.787 60.522 61.300 0.014 0.000 1.077 282 I CB 2.100 40.115 38.000 0.025 0.000 1.262 282 I HN 0.167 nan 8.210 nan 0.000 0.461 283 T N 2.663 117.231 114.554 0.023 0.000 2.767 283 T HA 0.274 4.624 4.350 0.000 0.000 0.288 283 T C -0.355 174.376 174.700 0.052 0.000 0.963 283 T CA -0.358 61.757 62.100 0.024 0.000 1.019 283 T CB 0.728 69.602 68.868 0.011 0.000 0.923 283 T HN 0.815 nan 8.240 nan 0.000 0.468 284 D N 1.875 122.320 120.400 0.075 0.000 2.440 284 D HA 0.057 4.697 4.640 0.000 0.000 0.269 284 D C 1.407 177.773 176.300 0.111 0.000 1.249 284 D CA -0.613 53.475 54.000 0.146 0.000 1.055 284 D CB 0.605 41.557 40.800 0.253 0.000 1.104 284 D HN 0.471 nan 8.370 nan 0.000 0.561 285 E N -0.549 119.760 120.200 0.181 0.000 2.347 285 E HA -0.119 4.231 4.350 0.000 0.000 0.196 285 E C 1.593 177.992 176.600 -0.336 0.000 1.008 285 E CA 0.421 56.852 56.400 0.052 0.000 0.852 285 E CB -0.329 29.516 29.700 0.242 0.000 0.783 285 E HN 0.301 nan 8.360 nan 0.000 0.505 286 L N 0.522 121.549 121.223 -0.326 0.000 2.591 286 L HA 0.254 4.595 4.340 0.000 0.000 0.228 286 L C 1.430 178.146 176.870 -0.257 0.000 1.133 286 L CA 1.164 55.719 54.840 -0.475 0.000 0.880 286 L CB -0.165 41.486 42.059 -0.680 0.000 1.033 286 L HN 0.402 nan 8.230 nan 0.000 0.450 287 G N -0.135 108.582 108.800 -0.138 0.000 2.143 287 G HA2 -0.294 3.666 3.960 0.000 0.000 0.248 287 G HA3 -0.294 3.666 3.960 0.000 0.000 0.248 287 G C 0.629 175.491 174.900 -0.064 0.000 0.991 287 G CA 0.034 45.086 45.100 -0.080 0.000 0.689 287 G HN 0.353 nan 8.290 nan 0.000 0.522 288 R N 0.262 120.731 120.500 -0.053 0.000 2.532 288 R HA 0.577 4.917 4.340 0.000 0.000 0.272 288 R C 0.813 177.109 176.300 -0.007 0.000 1.032 288 R CA 0.182 56.259 56.100 -0.039 0.000 1.089 288 R CB 1.056 31.332 30.300 -0.039 0.000 1.098 288 R HN 0.511 nan 8.270 nan 0.000 0.526 289 S N 2.095 117.784 115.700 -0.018 0.000 2.513 289 S HA 0.323 4.793 4.470 0.000 0.000 0.276 289 S C -0.093 174.504 174.600 -0.004 0.000 1.254 289 S CA -0.734 57.461 58.200 -0.009 0.000 1.053 289 S CB 0.466 63.655 63.200 -0.018 0.000 0.958 289 S HN 0.388 nan 8.310 nan 0.000 0.491 290 L N 4.934 126.166 121.223 0.016 0.000 2.322 290 L HA 0.548 4.888 4.340 0.000 0.000 0.281 290 L C -2.141 174.722 176.870 -0.011 0.000 1.014 290 L CA -2.617 52.240 54.840 0.028 0.000 0.815 290 L CB 2.309 44.417 42.059 0.083 0.000 1.247 290 L HN 0.554 nan 8.230 nan 0.000 0.421 291 P HA 0.089 nan 4.420 nan 0.000 0.275 291 P C -1.507 175.621 177.300 -0.285 0.000 1.228 291 P CA -0.419 62.553 63.100 -0.213 0.000 0.786 291 P CB 0.995 32.536 31.700 -0.265 0.000 0.927 292 Q N 2.212 121.785 119.800 -0.378 0.000 2.325 292 Q HA 0.356 4.697 4.340 0.000 0.000 0.270 292 Q C -0.884 174.874 176.000 -0.403 0.000 1.020 292 Q CA -0.524 55.147 55.803 -0.221 0.000 0.785 292 Q CB 1.569 30.294 28.738 -0.023 0.000 1.259 292 Q HN 0.457 nan 8.270 nan 0.000 0.452 293 Y N -0.154 120.151 120.300 0.009 0.000 2.387 293 Y HA 0.287 4.838 4.550 0.001 0.000 0.336 293 Y C 0.574 176.374 175.900 -0.166 0.000 1.067 293 Y CA -0.941 57.134 58.100 -0.042 0.000 1.114 293 Y CB 1.372 39.812 38.460 -0.034 0.000 1.208 293 Y HN 0.360 nan 8.280 nan 0.000 0.458 294 V N 3.254 123.187 119.914 0.032 0.000 2.694 294 V HA 0.329 4.449 4.120 0.000 0.000 0.306 294 V C 0.125 176.040 176.094 -0.297 0.000 1.054 294 V CA -0.418 61.831 62.300 -0.085 0.000 1.161 294 V CB 0.186 32.020 31.823 0.018 0.000 0.916 294 V HN 0.884 nan 8.190 nan 0.000 0.490 295 A N 5.827 128.489 122.820 -0.265 0.000 2.343 295 A HA 0.634 4.954 4.320 0.000 0.000 0.305 295 A C 0.224 177.673 177.584 -0.226 0.000 1.308 295 A CA 0.138 51.991 52.037 -0.305 0.000 0.949 295 A CB 0.588 19.443 19.000 -0.241 0.000 1.148 295 A HN 0.984 nan 8.150 nan 0.000 0.545 296 S N 1.698 117.227 115.700 -0.285 0.000 2.759 296 S HA 0.823 5.294 4.470 0.000 0.000 0.310 296 S C -0.156 174.422 174.600 -0.037 0.000 1.123 296 S CA -0.601 57.529 58.200 -0.116 0.000 0.959 296 S CB 0.951 64.151 63.200 -0.001 0.000 1.172 296 S HN 0.878 nan 8.310 nan 0.000 0.539 297 K N -0.038 120.318 120.400 -0.073 0.000 2.318 297 K HA 0.456 4.776 4.320 0.000 0.000 0.265 297 K C 0.318 176.502 176.600 -0.692 0.000 1.055 297 K CA -0.709 55.427 56.287 -0.251 0.000 0.896 297 K CB 0.138 32.547 32.500 -0.152 0.000 1.479 297 K HN 0.510 nan 8.250 nan 0.000 0.449 298 N N 0.202 118.321 118.700 -0.968 0.000 2.223 298 N HA -0.228 4.512 4.740 0.000 0.000 0.185 298 N C 1.369 176.672 175.510 -0.345 0.000 1.016 298 N CA 2.017 54.462 53.050 -1.009 0.000 0.863 298 N CB -0.608 37.522 38.487 -0.595 0.000 0.983 298 N HN 0.622 nan 8.380 nan 0.000 0.429 299 S N -1.678 113.908 115.700 -0.190 0.000 2.562 299 S HA 0.178 4.649 4.470 0.000 0.000 0.221 299 S C 1.307 175.957 174.600 0.084 0.000 0.975 299 S CA 0.046 58.237 58.200 -0.015 0.000 0.918 299 S CB 0.084 63.276 63.200 -0.014 0.000 0.772 299 S HN 0.099 nan 8.310 nan 0.000 0.531 300 K N 0.648 121.018 120.400 -0.051 0.000 2.373 300 K HA 0.356 4.676 4.320 0.000 0.000 0.200 300 K C 1.591 178.085 176.600 -0.177 0.000 1.054 300 K CA 0.203 56.394 56.287 -0.161 0.000 1.065 300 K CB -0.001 32.434 32.500 -0.108 0.000 0.886 300 K HN 0.286 nan 8.250 nan 0.000 0.546 301 V N 3.447 123.365 119.914 0.007 0.000 2.469 301 V HA -0.253 3.867 4.120 0.000 0.000 0.251 301 V C 2.460 178.592 176.094 0.063 0.000 1.064 301 V CA 2.117 64.516 62.300 0.165 0.000 1.066 301 V CB -0.552 31.465 31.823 0.323 0.000 0.667 301 V HN 0.453 nan 8.190 nan 0.000 0.461 302 H N -0.518 118.588 119.070 0.060 0.000 2.457 302 H HA -0.156 4.400 4.556 0.000 0.000 0.297 302 H C 1.822 177.176 175.328 0.043 0.000 1.092 302 H CA 1.918 57.987 56.048 0.035 0.000 1.309 302 H CB -0.127 29.644 29.762 0.016 0.000 1.382 302 H HN 0.596 nan 8.280 nan 0.000 0.535 303 E N 0.254 120.186 120.200 -0.447 0.000 2.166 303 E HA -0.041 4.310 4.350 0.000 0.000 0.192 303 E C 1.310 177.890 176.600 -0.033 0.000 0.967 303 E CA 0.630 56.904 56.400 -0.210 0.000 0.840 303 E CB 0.393 29.922 29.700 -0.287 0.000 0.795 303 E HN 0.480 nan 8.360 nan 0.000 0.470 304 D N 0.182 120.605 120.400 0.038 0.000 2.338 304 D HA 0.045 4.685 4.640 0.000 0.000 0.208 304 D C 0.913 177.400 176.300 0.312 0.000 0.997 304 D CA 0.372 54.494 54.000 0.202 0.000 0.880 304 D CB 0.095 41.062 40.800 0.279 0.000 0.980 304 D HN 0.048 nan 8.370 nan 0.000 0.509 305 G N 0.092 108.985 108.800 0.156 0.000 2.562 305 G HA2 0.524 4.484 3.960 0.000 0.000 0.275 305 G HA3 0.524 4.484 3.960 0.000 0.000 0.275 305 G C 0.659 175.492 174.900 -0.111 0.000 1.196 305 G CA -0.390 44.631 45.100 -0.132 0.000 0.908 305 G HN -0.023 nan 8.290 nan 0.000 0.524 306 I N -0.530 119.903 120.570 -0.228 0.000 4.518 306 I HA 0.166 4.336 4.170 0.000 0.000 0.247 306 I C 2.175 178.174 176.117 -0.197 0.000 0.994 306 I CA -0.337 60.878 61.300 -0.141 0.000 2.009 306 I CB -0.457 37.493 38.000 -0.084 0.000 1.547 306 I HN 0.424 nan 8.210 nan 0.000 0.463 307 L N 1.870 122.945 121.223 -0.247 0.000 2.079 307 L HA -0.118 4.222 4.340 0.000 0.000 0.210 307 L C 2.387 179.039 176.870 -0.363 0.000 1.081 307 L CA 2.339 57.017 54.840 -0.270 0.000 0.752 307 L CB -0.691 41.189 42.059 -0.298 0.000 0.896 307 L HN 0.365 nan 8.230 nan 0.000 0.433 308 A N -0.796 121.692 122.820 -0.553 0.000 1.930 308 A HA -0.214 4.106 4.320 0.000 0.000 0.217 308 A C 2.423 179.796 177.584 -0.352 0.000 1.175 308 A CA 1.655 53.330 52.037 -0.603 0.000 0.627 308 A CB -0.567 17.732 19.000 -1.168 0.000 0.815 308 A HN 0.518 nan 8.150 nan 0.000 0.443 309 K N -0.126 120.108 120.400 -0.277 0.000 2.009 309 K HA -0.230 4.090 4.320 0.000 0.000 0.210 309 K C 1.658 178.211 176.600 -0.079 0.000 1.049 309 K CA 1.886 58.110 56.287 -0.106 0.000 0.929 309 K CB -0.263 32.199 32.500 -0.064 0.000 0.714 309 K HN 0.413 nan 8.250 nan 0.000 0.440 310 N N 0.901 119.540 118.700 -0.100 0.000 2.188 310 N HA -0.143 4.598 4.740 0.000 0.000 0.184 310 N C 1.813 177.278 175.510 -0.075 0.000 1.018 310 N CA 1.270 54.279 53.050 -0.068 0.000 0.858 310 N CB -0.190 38.262 38.487 -0.058 0.000 0.989 310 N HN 0.373 nan 8.380 nan 0.000 0.426 311 Q N 0.061 119.787 119.800 -0.125 0.000 2.119 311 Q HA 0.004 4.344 4.340 0.000 0.000 0.201 311 Q C 1.995 177.931 176.000 -0.107 0.000 0.972 311 Q CA 0.873 56.597 55.803 -0.132 0.000 0.847 311 Q CB 0.107 28.716 28.738 -0.214 0.000 0.903 311 Q HN 0.153 nan 8.270 nan 0.000 0.433 312 V N 1.295 121.153 119.914 -0.092 0.000 2.307 312 V HA -0.236 3.884 4.120 0.000 0.000 0.245 312 V C 1.893 177.979 176.094 -0.013 0.000 1.045 312 V CA 1.840 64.121 62.300 -0.032 0.000 1.024 312 V CB -0.516 31.339 31.823 0.054 0.000 0.651 312 V HN 0.345 nan 8.190 nan 0.000 0.449 313 E N 0.306 120.500 120.200 -0.010 0.000 2.085 313 E HA -0.305 4.045 4.350 0.000 0.000 0.194 313 E C 2.233 178.824 176.600 -0.016 0.000 0.994 313 E CA 1.621 58.017 56.400 -0.006 0.000 0.801 313 E CB -0.183 29.516 29.700 -0.000 0.000 0.743 313 E HN 0.575 nan 8.360 nan 0.000 0.453 314 K N 0.993 121.378 120.400 -0.025 0.000 2.057 314 K HA -0.121 4.199 4.320 0.000 0.000 0.206 314 K C 2.159 178.743 176.600 -0.026 0.000 1.050 314 K CA 1.219 57.492 56.287 -0.023 0.000 0.935 314 K CB -0.128 32.358 32.500 -0.024 0.000 0.715 314 K HN 0.082 nan 8.250 nan 0.000 0.439 315 A N 0.615 123.414 122.820 -0.036 0.000 1.908 315 A HA -0.112 4.208 4.320 0.000 0.000 0.218 315 A C 2.249 179.818 177.584 -0.025 0.000 1.181 315 A CA 1.730 53.744 52.037 -0.038 0.000 0.627 315 A CB -0.670 18.296 19.000 -0.056 0.000 0.818 315 A HN 0.191 nan 8.150 nan 0.000 0.445 316 V N 0.890 120.793 119.914 -0.018 0.000 2.427 316 V HA -0.207 3.914 4.120 0.000 0.000 0.248 316 V C 2.929 179.015 176.094 -0.013 0.000 1.051 316 V CA 2.269 64.562 62.300 -0.012 0.000 1.048 316 V CB -0.679 31.140 31.823 -0.007 0.000 0.666 316 V HN 0.813 nan 8.190 nan 0.000 0.456 317 S N -0.313 115.379 115.700 -0.014 0.000 2.453 317 S HA -0.156 4.315 4.470 0.000 0.000 0.231 317 S C 1.366 175.959 174.600 -0.012 0.000 1.005 317 S CA 1.246 59.438 58.200 -0.013 0.000 0.949 317 S CB -0.352 62.841 63.200 -0.012 0.000 0.774 317 S HN 0.565 nan 8.310 nan 0.000 0.510 318 D N 1.142 121.534 120.400 -0.014 0.000 2.355 318 D HA 0.315 4.955 4.640 0.000 0.000 0.218 318 D C 1.500 177.792 176.300 -0.013 0.000 1.004 318 D CA 0.954 54.946 54.000 -0.014 0.000 0.880 318 D CB 0.214 41.004 40.800 -0.016 0.000 0.911 318 D HN 0.615 nan 8.370 nan 0.000 0.528 319 G N -0.460 108.332 108.800 -0.013 0.000 2.336 319 G HA2 -0.200 3.760 3.960 0.000 0.000 0.194 319 G HA3 -0.200 3.760 3.960 0.000 0.000 0.194 319 G C 0.364 175.257 174.900 -0.011 0.000 0.999 319 G CA -0.352 44.741 45.100 -0.011 0.000 0.669 319 G HN 0.132 nan 8.290 nan 0.000 0.482 320 M N 2.378 121.970 119.600 -0.014 0.000 2.248 320 M HA 0.346 4.827 4.480 0.000 0.000 0.337 320 M C 0.673 176.968 176.300 -0.007 0.000 1.121 320 M CA 0.070 55.362 55.300 -0.013 0.000 1.155 320 M CB 0.227 32.815 32.600 -0.020 0.000 1.514 320 M HN 0.472 nan 8.290 nan 0.000 0.452 321 D N 1.257 121.655 120.400 -0.003 0.000 2.371 321 D HA 0.076 4.717 4.640 0.000 0.000 0.242 321 D C 0.723 177.029 176.300 0.009 0.000 1.218 321 D CA -0.607 53.394 54.000 0.002 0.000 0.945 321 D CB 0.694 41.496 40.800 0.003 0.000 1.137 321 D HN 0.436 nan 8.370 nan 0.000 0.464 322 L N 0.474 121.705 121.223 0.012 0.000 2.013 322 L HA -0.192 4.148 4.340 0.000 0.000 0.212 322 L C 2.271 179.174 176.870 0.055 0.000 1.073 322 L CA 2.171 57.027 54.840 0.028 0.000 0.753 322 L CB -0.928 41.137 42.059 0.009 0.000 0.890 322 L HN 0.728 nan 8.230 nan 0.000 0.432 323 K N -0.469 119.956 120.400 0.042 0.000 2.034 323 K HA -0.283 4.037 4.320 0.000 0.000 0.214 323 K C 1.898 178.547 176.600 0.081 0.000 1.051 323 K CA 2.552 58.878 56.287 0.066 0.000 0.931 323 K CB -0.380 32.149 32.500 0.047 0.000 0.715 323 K HN 0.527 nan 8.250 nan 0.000 0.446 324 N N -0.370 118.355 118.700 0.042 0.000 2.244 324 N HA -0.087 4.653 4.740 0.000 0.000 0.183 324 N C 1.684 177.182 175.510 -0.020 0.000 1.016 324 N CA 0.834 53.892 53.050 0.013 0.000 0.866 324 N CB -0.073 38.415 38.487 0.001 0.000 0.980 324 N HN 0.351 nan 8.380 nan 0.000 0.430 325 A N 0.239 123.059 122.820 -0.001 0.000 1.873 325 A HA -0.169 4.151 4.320 0.000 0.000 0.215 325 A C 1.964 179.521 177.584 -0.046 0.000 1.186 325 A CA 1.014 53.033 52.037 -0.031 0.000 0.616 325 A CB -0.887 18.111 19.000 -0.003 0.000 0.823 325 A HN 0.425 nan 8.150 nan 0.000 0.442 326 Y N 0.719 120.959 120.300 -0.100 0.000 2.181 326 Y HA -0.041 4.509 4.550 0.000 0.000 0.288 326 Y C 2.462 178.252 175.900 -0.184 0.000 1.146 326 Y CA 1.496 59.534 58.100 -0.103 0.000 1.164 326 Y CB -0.562 37.889 38.460 -0.014 0.000 0.982 326 Y HN 0.250 nan 8.280 nan 0.000 0.515 327 G N -1.360 107.403 108.800 -0.062 0.000 2.484 327 G HA2 -0.105 3.855 3.960 0.000 0.000 0.218 327 G HA3 -0.105 3.855 3.960 0.000 0.000 0.218 327 G C 1.282 175.953 174.900 -0.381 0.000 1.130 327 G CA 0.754 45.773 45.100 -0.135 0.000 0.784 327 G HN 0.368 nan 8.290 nan 0.000 0.543 328 Q N -0.943 118.620 119.800 -0.395 0.000 2.254 328 Q HA 0.200 4.540 4.340 0.000 0.000 0.259 328 Q C 1.784 177.503 176.000 -0.469 0.000 0.815 328 Q CA -0.022 55.543 55.803 -0.396 0.000 0.961 328 Q CB 0.554 29.174 28.738 -0.196 0.000 1.140 328 Q HN 0.256 nan 8.270 nan 0.000 0.502 329 R N 0.798 121.035 120.500 -0.439 0.000 2.432 329 R HA 0.281 4.622 4.340 0.000 0.000 0.260 329 R C 0.121 176.190 176.300 -0.384 0.000 0.935 329 R CA -0.056 55.843 56.100 -0.335 0.000 1.080 329 R CB 0.810 30.985 30.300 -0.210 0.000 1.155 329 R HN 0.068 nan 8.270 nan 0.000 0.531 330 R N 0.836 120.996 120.500 -0.566 0.000 2.357 330 R HA 0.253 4.594 4.340 0.000 0.000 0.296 330 R C -0.091 175.978 176.300 -0.384 0.000 1.052 330 R CA -0.136 55.667 56.100 -0.495 0.000 0.988 330 R CB 1.094 31.073 30.300 -0.535 0.000 1.025 330 R HN -0.166 nan 8.270 nan 0.000 0.469 331 S N 1.689 117.174 115.700 -0.358 0.000 2.488 331 S HA 0.053 4.523 4.470 0.000 0.000 0.278 331 S C 0.197 174.725 174.600 -0.122 0.000 1.259 331 S CA -0.189 57.843 58.200 -0.280 0.000 1.061 331 S CB 0.784 63.625 63.200 -0.599 0.000 0.910 331 S HN 0.478 nan 8.310 nan 0.000 0.491 332 S N 2.480 118.202 115.700 0.038 0.000 2.596 332 S HA 0.136 4.606 4.470 0.000 0.000 0.260 332 S C 1.482 176.060 174.600 -0.037 0.000 1.336 332 S CA -0.581 57.645 58.200 0.043 0.000 0.993 332 S CB 0.392 63.656 63.200 0.106 0.000 0.923 332 S HN 0.676 nan 8.310 nan 0.000 0.567 333 L N 0.962 122.162 121.223 -0.038 0.000 2.095 333 L HA 0.309 4.649 4.340 0.000 0.000 0.204 333 L C 0.651 177.468 176.870 -0.089 0.000 1.080 333 L CA 1.289 56.092 54.840 -0.062 0.000 0.759 333 L CB 0.039 42.073 42.059 -0.043 0.000 0.914 333 L HN 0.612 nan 8.230 nan 0.000 0.439 334 M N -0.995 118.552 119.600 -0.088 0.000 2.322 334 M HA 0.314 4.794 4.480 0.000 0.000 0.286 334 M C -1.616 174.601 176.300 -0.138 0.000 1.111 334 M CA -0.290 54.933 55.300 -0.129 0.000 0.941 334 M CB 2.128 34.656 32.600 -0.119 0.000 1.671 334 M HN -0.206 nan 8.290 nan 0.000 0.470 335 T N 5.853 120.295 114.554 -0.186 0.000 2.985 335 T HA 0.527 4.878 4.350 0.000 0.000 0.315 335 T C -1.019 173.545 174.700 -0.227 0.000 1.001 335 T CA -0.486 61.472 62.100 -0.237 0.000 1.016 335 T CB 0.681 69.328 68.868 -0.368 0.000 0.993 335 T HN 0.549 nan 8.240 nan 0.000 0.454 336 L N 3.323 124.443 121.223 -0.171 0.000 2.305 336 L HA 0.681 5.021 4.340 0.000 0.000 0.284 336 L C 0.184 177.013 176.870 -0.068 0.000 1.013 336 L CA -0.854 53.906 54.840 -0.133 0.000 0.819 336 L CB 1.655 43.658 42.059 -0.093 0.000 1.227 336 L HN 0.339 nan 8.230 nan 0.000 0.417 337 R N 1.897 122.386 120.500 -0.018 0.000 2.621 337 R HA 0.564 4.904 4.340 0.000 0.000 0.292 337 R C 0.659 177.082 176.300 0.205 0.000 0.969 337 R CA 0.190 56.328 56.100 0.063 0.000 0.887 337 R CB 1.905 32.220 30.300 0.026 0.000 1.180 337 R HN 0.791 nan 8.270 nan 0.000 0.450 338 G N 1.863 110.752 108.800 0.149 0.000 2.155 338 G HA2 -0.247 3.714 3.960 0.000 0.000 0.257 338 G HA3 -0.247 3.714 3.960 0.000 0.000 0.257 338 G C -0.149 174.851 174.900 0.168 0.000 0.983 338 G CA 0.367 45.547 45.100 0.134 0.000 0.676 338 G HN 0.432 nan 8.290 nan 0.000 0.528 339 V N 0.244 120.269 119.914 0.186 0.000 2.530 339 V HA 0.512 4.632 4.120 0.000 0.000 0.282 339 V C 0.495 176.665 176.094 0.126 0.000 1.048 339 V CA -0.169 62.247 62.300 0.193 0.000 0.997 339 V CB 1.703 33.613 31.823 0.146 0.000 0.987 339 V HN 0.411 nan 8.190 nan 0.000 0.477 340 E N 4.854 125.130 120.200 0.128 0.000 2.081 340 E HA 0.389 4.739 4.350 0.000 0.000 0.276 340 E C -0.436 176.250 176.600 0.144 0.000 0.950 340 E CA -0.287 56.190 56.400 0.128 0.000 0.776 340 E CB 0.067 29.830 29.700 0.104 0.000 1.094 340 E HN 0.747 nan 8.360 nan 0.000 0.402 341 N N 1.981 120.778 118.700 0.162 0.000 2.438 341 N HA -0.105 4.636 4.740 0.000 0.000 0.279 341 N C -1.403 174.193 175.510 0.144 0.000 1.343 341 N CA 0.157 53.297 53.050 0.151 0.000 0.632 341 N CB -0.617 37.945 38.487 0.125 0.000 0.902 341 N HN 0.182 nan 8.380 nan 0.000 0.518 342 V N 1.960 121.975 119.914 0.168 0.000 2.667 342 V HA 0.632 4.752 4.120 0.000 0.000 0.308 342 V C -0.500 175.731 176.094 0.228 0.000 1.048 342 V CA -0.554 61.844 62.300 0.163 0.000 0.928 342 V CB 1.678 33.588 31.823 0.145 0.000 1.004 342 V HN 0.507 nan 8.190 nan 0.000 0.444 343 Y N 4.708 125.035 120.300 0.046 0.000 2.322 343 Y HA 0.665 5.215 4.550 0.000 0.000 0.324 343 Y C -1.077 174.845 175.900 0.037 0.000 1.027 343 Y CA -0.748 57.368 58.100 0.028 0.000 1.179 343 Y CB 1.287 39.741 38.460 -0.010 0.000 1.136 343 Y HN 0.542 nan 8.280 nan 0.000 0.449 344 L N 5.980 127.009 121.223 -0.323 0.000 2.295 344 L HA 0.979 5.320 4.340 0.000 0.000 0.285 344 L C -0.374 176.044 176.870 -0.753 0.000 1.035 344 L CA -0.937 53.734 54.840 -0.281 0.000 0.806 344 L CB 1.522 43.521 42.059 -0.100 0.000 1.214 344 L HN 0.749 nan 8.230 nan 0.000 0.426 345 A N 1.370 123.808 122.820 -0.637 0.000 2.566 345 A HA 0.666 4.987 4.320 0.000 0.000 0.297 345 A C 0.459 177.770 177.584 -0.454 0.000 1.059 345 A CA 0.179 51.812 52.037 -0.674 0.000 0.691 345 A CB 1.539 20.137 19.000 -0.671 0.000 1.282 345 A HN 0.960 nan 8.150 nan 0.000 0.401 346 G N 0.425 108.950 108.800 -0.458 0.000 2.412 346 G HA2 -0.221 3.740 3.960 0.000 0.000 0.252 346 G HA3 -0.221 3.740 3.960 0.000 0.000 0.252 346 G C 0.340 175.094 174.900 -0.244 0.000 1.038 346 G CA 1.247 46.181 45.100 -0.277 0.000 0.628 346 G HN 2.150 nan 8.290 nan 0.000 0.531 347 F N 1.344 121.160 119.950 -0.223 0.000 2.410 347 F HA 0.738 5.266 4.527 0.001 0.000 0.334 347 F C 0.437 176.093 175.800 -0.240 0.000 1.134 347 F CA -0.452 57.429 58.000 -0.198 0.000 1.227 347 F CB 0.443 39.339 39.000 -0.174 0.000 1.194 347 F HN -0.000 nan 8.300 nan 0.000 0.571 348 T N 2.252 116.843 114.554 0.061 0.000 2.837 348 T HA 0.539 4.889 4.350 0.000 0.000 0.285 348 T C -0.558 174.176 174.700 0.057 0.000 0.984 348 T CA -0.563 61.516 62.100 -0.034 0.000 1.049 348 T CB 1.528 70.374 68.868 -0.038 0.000 0.947 348 T HN 0.539 nan 8.240 nan 0.000 0.472 349 V N 4.683 124.594 119.914 -0.006 0.000 2.417 349 V HA 0.543 4.663 4.120 0.000 0.000 0.291 349 V C 0.124 176.259 176.094 0.067 0.000 1.024 349 V CA -0.725 61.604 62.300 0.049 0.000 0.861 349 V CB 1.409 33.276 31.823 0.073 0.000 0.985 349 V HN 0.721 nan 8.190 nan 0.000 0.436 350 R N 2.959 123.491 120.500 0.053 0.000 2.750 350 R HA 0.458 4.798 4.340 0.000 0.000 0.281 350 R C 0.168 176.393 176.300 -0.126 0.000 0.972 350 R CA -0.860 55.278 56.100 0.062 0.000 0.912 350 R CB 1.440 31.832 30.300 0.153 0.000 1.187 350 R HN 0.858 nan 8.270 nan 0.000 0.464 351 N N 1.265 119.680 118.700 -0.474 0.000 2.696 351 N HA -0.124 4.616 4.740 0.000 0.000 0.256 351 N C -2.454 172.931 175.510 -0.208 0.000 1.031 351 N CA -0.434 52.200 53.050 -0.694 0.000 0.730 351 N CB -0.027 38.061 38.487 -0.665 0.000 0.894 351 N HN 0.251 nan 8.380 nan 0.000 0.544 352 P HA 0.134 nan 4.420 nan 0.000 0.278 352 P C 0.325 177.644 177.300 0.033 0.000 1.238 352 P CA -0.063 63.022 63.100 -0.024 0.000 0.794 352 P CB 1.307 33.012 31.700 0.008 0.000 0.955 353 A N 2.345 125.088 122.820 -0.129 0.000 2.014 353 A HA -0.061 4.259 4.320 0.000 0.000 0.218 353 A C 1.209 178.793 177.584 -0.001 0.000 1.163 353 A CA 1.359 53.227 52.037 -0.281 0.000 0.652 353 A CB -0.834 17.916 19.000 -0.417 0.000 0.808 353 A HN 0.590 nan 8.150 nan 0.000 0.449 354 F N -1.708 118.148 119.950 -0.156 0.000 2.000 354 F HA 0.387 4.914 4.527 0.000 0.000 0.213 354 F C 0.339 176.069 175.800 -0.116 0.000 1.269 354 F CA -1.063 56.808 58.000 -0.214 0.000 1.273 354 F CB -0.236 38.533 39.000 -0.386 0.000 1.915 354 F HN 0.109 nan 8.300 nan 0.000 0.151 355 H N 0.034 118.894 119.070 -0.350 0.000 2.509 355 H HA 0.465 5.021 4.556 0.000 0.000 0.359 355 H C 0.747 175.972 175.328 -0.173 0.000 1.253 355 H CA 0.018 55.836 56.048 -0.383 0.000 1.373 355 H CB 0.428 29.907 29.762 -0.471 0.000 1.555 355 H HN 0.571 nan 8.280 nan 0.000 0.586 356 G N 0.317 109.110 108.800 -0.011 0.000 2.832 356 G HA2 0.159 4.119 3.960 0.000 0.000 0.187 356 G HA3 0.159 4.119 3.960 0.000 0.000 0.187 356 G C 0.205 175.090 174.900 -0.024 0.000 1.817 356 G CA -0.284 44.814 45.100 -0.004 0.000 0.896 356 G HN 0.489 nan 8.290 nan 0.000 0.453 357 I N 1.394 121.935 120.570 -0.048 0.000 2.315 357 I HA 0.342 4.513 4.170 0.000 0.000 0.291 357 I C -0.320 175.686 176.117 -0.184 0.000 1.006 357 I CA 0.112 61.363 61.300 -0.081 0.000 1.265 357 I CB 1.576 39.563 38.000 -0.020 0.000 1.387 357 I HN 0.166 nan 8.210 nan 0.000 0.475 358 M N 6.488 125.991 119.600 -0.162 0.000 2.294 358 M HA 0.408 4.888 4.480 0.000 0.000 0.335 358 M C -0.788 175.419 176.300 -0.154 0.000 1.079 358 M CA -0.439 54.749 55.300 -0.187 0.000 0.982 358 M CB 1.521 34.030 32.600 -0.152 0.000 1.651 358 M HN 0.446 nan 8.290 nan 0.000 0.437 359 N N 4.735 123.359 118.700 -0.126 0.000 2.442 359 N HA 0.544 5.284 4.740 0.000 0.000 0.274 359 N C -1.628 173.917 175.510 0.059 0.000 1.002 359 N CA -0.355 52.698 53.050 0.004 0.000 0.910 359 N CB 2.232 40.805 38.487 0.144 0.000 1.244 359 N HN 0.555 nan 8.380 nan 0.000 0.492 360 L N 2.189 123.435 121.223 0.039 0.000 2.349 360 L HA 0.277 4.617 4.340 0.000 0.000 0.278 360 L C 0.044 176.975 176.870 0.102 0.000 0.996 360 L CA -0.583 54.296 54.840 0.065 0.000 0.825 360 L CB 1.254 43.301 42.059 -0.020 0.000 1.243 360 L HN 0.471 nan 8.230 nan 0.000 0.412 361 E N 0.994 121.282 120.200 0.146 0.000 2.360 361 E HA -0.213 4.137 4.350 0.000 0.000 0.238 361 E C -0.682 175.969 176.600 0.084 0.000 1.186 361 E CA 0.543 57.019 56.400 0.126 0.000 0.719 361 E CB -1.347 28.410 29.700 0.096 0.000 1.236 361 E HN 0.545 nan 8.360 nan 0.000 0.386 362 N N 0.398 119.188 118.700 0.150 0.000 2.489 362 N HA 0.401 5.142 4.740 0.000 0.000 0.284 362 N C -0.258 175.415 175.510 0.271 0.000 1.158 362 N CA -0.243 52.898 53.050 0.152 0.000 0.965 362 N CB 0.711 39.314 38.487 0.194 0.000 1.195 362 N HN 0.246 nan 8.380 nan 0.000 0.506 363 H N 0.217 119.368 119.070 0.134 0.000 2.622 363 H HA 0.348 4.904 4.556 0.000 0.000 0.363 363 H C -0.423 174.980 175.328 0.125 0.000 1.151 363 H CA -0.970 55.149 56.048 0.118 0.000 1.184 363 H CB 1.117 30.940 29.762 0.101 0.000 1.643 363 H HN 0.449 nan 8.280 nan 0.000 0.531 364 N N 0.728 119.570 118.700 0.238 0.000 2.681 364 N HA -0.155 4.585 4.740 0.000 0.000 0.259 364 N C -1.136 174.496 175.510 0.203 0.000 1.066 364 N CA 0.315 53.480 53.050 0.191 0.000 0.717 364 N CB -1.401 37.194 38.487 0.181 0.000 0.885 364 N HN 0.157 nan 8.380 nan 0.000 0.547 365 V N 0.276 120.314 119.914 0.207 0.000 2.472 365 V HA 0.579 4.699 4.120 0.000 0.000 0.290 365 V C 0.734 176.970 176.094 0.237 0.000 1.037 365 V CA -0.718 61.726 62.300 0.240 0.000 0.908 365 V CB 2.291 34.312 31.823 0.332 0.000 0.985 365 V HN 0.097 nan 8.190 nan 0.000 0.454 366 V N 3.427 123.485 119.914 0.239 0.000 2.531 366 V HA 0.762 4.882 4.120 0.000 0.000 0.301 366 V C 0.051 176.166 176.094 0.036 0.000 1.034 366 V CA -0.556 61.875 62.300 0.218 0.000 0.865 366 V CB 1.864 33.912 31.823 0.375 0.000 0.995 366 V HN 0.984 nan 8.190 nan 0.000 0.424 367 A N 3.754 126.553 122.820 -0.034 0.000 2.277 367 A HA 0.725 5.045 4.320 0.000 0.000 0.318 367 A C -0.411 176.847 177.584 -0.544 0.000 1.339 367 A CA -0.442 51.440 52.037 -0.258 0.000 0.875 367 A CB 0.367 19.304 19.000 -0.105 0.000 1.158 367 A HN 0.710 nan 8.150 nan 0.000 0.514 368 N N 1.897 120.137 118.700 -0.766 0.000 2.518 368 N HA 0.467 5.207 4.740 0.000 0.000 0.254 368 N C 0.553 175.610 175.510 -0.755 0.000 0.979 368 N CA 0.651 53.081 53.050 -1.035 0.000 0.930 368 N CB 1.046 38.977 38.487 -0.925 0.000 1.152 368 N HN 1.357 nan 8.380 nan 0.000 0.505 369 G N 2.733 111.135 108.800 -0.663 0.000 2.198 369 G HA2 -0.228 3.733 3.960 0.000 0.000 0.257 369 G HA3 -0.228 3.733 3.960 0.000 0.000 0.257 369 G C -0.180 174.413 174.900 -0.511 0.000 1.042 369 G CA 0.299 45.115 45.100 -0.475 0.000 0.791 369 G HN 0.523 nan 8.290 nan 0.000 0.502 370 L N -0.695 120.144 121.223 -0.640 0.000 2.418 370 L HA 0.625 4.965 4.340 0.000 0.000 0.265 370 L C 0.908 177.348 176.870 -0.717 0.000 1.143 370 L CA -0.650 53.701 54.840 -0.815 0.000 0.809 370 L CB 0.976 42.410 42.059 -1.043 0.000 1.124 370 L HN 0.074 nan 8.230 nan 0.000 0.456 371 I N 1.568 121.746 120.570 -0.653 0.000 2.382 371 I HA 0.238 4.409 4.170 0.000 0.000 0.285 371 I C -0.443 175.413 176.117 -0.436 0.000 1.007 371 I CA -0.369 60.694 61.300 -0.396 0.000 1.142 371 I CB 0.798 38.643 38.000 -0.258 0.000 1.289 371 I HN 0.482 nan 8.210 nan 0.000 0.453 372 H N 6.814 125.820 119.070 -0.107 0.000 2.556 372 H HA 0.377 4.933 4.556 0.000 0.000 0.310 372 H C -0.781 174.621 175.328 0.123 0.000 1.057 372 H CA -0.542 55.481 56.048 -0.041 0.000 1.264 372 H CB 1.200 30.887 29.762 -0.124 0.000 1.404 372 H HN 0.544 nan 8.280 nan 0.000 0.462 373 Q N 2.051 121.990 119.800 0.231 0.000 2.798 373 Q HA 0.172 4.512 4.340 0.000 0.000 0.250 373 Q C 0.065 176.286 176.000 0.369 0.000 1.006 373 Q CA -0.367 55.610 55.803 0.290 0.000 0.759 373 Q CB 1.131 30.005 28.738 0.227 0.000 1.201 373 Q HN 0.777 nan 8.270 nan 0.000 0.486 374 T N -3.150 111.608 114.554 0.342 0.000 3.332 374 T HA 0.123 4.473 4.350 0.000 0.000 0.304 374 T C -0.326 174.556 174.700 0.303 0.000 0.971 374 T CA -0.321 61.958 62.100 0.298 0.000 0.954 374 T CB -0.096 68.849 68.868 0.128 0.000 1.175 374 T HN 0.369 nan 8.240 nan 0.000 0.519 375 Y N 2.406 122.836 120.300 0.216 0.000 2.442 375 Y HA 0.446 4.997 4.550 0.001 0.000 0.330 375 Y C -0.002 175.988 175.900 0.150 0.000 1.129 375 Y CA -0.402 57.772 58.100 0.123 0.000 1.365 375 Y CB 0.921 39.432 38.460 0.085 0.000 1.233 375 Y HN 0.115 nan 8.280 nan 0.000 0.529 376 D N 5.357 125.520 120.400 -0.395 0.000 2.943 376 D HA 0.274 4.914 4.640 0.000 0.000 0.347 376 D C -0.777 175.246 176.300 -0.461 0.000 1.305 376 D CA -0.292 53.259 54.000 -0.749 0.000 0.870 376 D CB -0.328 39.699 40.800 -1.289 0.000 1.081 376 D HN 0.673 nan 8.370 nan 0.000 0.492 377 A N 1.871 124.488 122.820 -0.339 0.000 2.515 377 A HA 0.129 4.449 4.320 0.000 0.000 0.263 377 A C 0.667 178.013 177.584 -0.396 0.000 1.096 377 A CA -0.293 51.407 52.037 -0.560 0.000 0.769 377 A CB -0.135 18.700 19.000 -0.275 0.000 1.040 377 A HN 0.396 nan 8.150 nan 0.000 0.505 378 N N 2.288 120.682 118.700 -0.509 0.000 2.365 378 N HA -0.057 4.684 4.740 0.000 0.000 0.265 378 N C 0.475 175.991 175.510 0.009 0.000 1.288 378 N CA 1.325 54.282 53.050 -0.155 0.000 0.869 378 N CB -0.588 37.895 38.487 -0.007 0.000 1.071 378 N HN 0.730 nan 8.380 nan 0.000 0.480 379 N N 0.137 118.819 118.700 -0.030 0.000 2.800 379 N HA -0.167 4.573 4.740 0.000 0.000 0.250 379 N C 0.001 175.463 175.510 -0.080 0.000 1.078 379 N CA 0.875 53.895 53.050 -0.050 0.000 0.804 379 N CB -1.313 37.165 38.487 -0.016 0.000 1.135 379 N HN 0.562 nan 8.380 nan 0.000 0.565 380 G N 0.829 109.572 108.800 -0.096 0.000 3.101 380 G HA2 0.287 4.247 3.960 0.000 0.000 0.272 380 G HA3 0.287 4.247 3.960 0.000 0.000 0.272 380 G C -0.043 174.792 174.900 -0.108 0.000 0.801 380 G CA -0.272 44.788 45.100 -0.066 0.000 1.978 380 G HN 0.424 nan 8.290 nan 0.000 0.591 381 D N 0.491 120.797 120.400 -0.158 0.000 2.344 381 D HA 0.342 4.982 4.640 0.000 0.000 0.244 381 D C 1.418 177.621 176.300 -0.163 0.000 1.134 381 D CA -0.055 53.817 54.000 -0.213 0.000 0.930 381 D CB 1.011 41.621 40.800 -0.316 0.000 1.175 381 D HN 0.071 nan 8.370 nan 0.000 0.437 382 G N 0.185 108.887 108.800 -0.164 0.000 2.496 382 G HA2 0.069 4.030 3.960 0.000 0.000 0.214 382 G HA3 0.069 4.030 3.960 0.000 0.000 0.214 382 G C 0.449 175.226 174.900 -0.206 0.000 1.234 382 G CA 0.192 45.191 45.100 -0.169 0.000 0.807 382 G HN 0.549 nan 8.290 nan 0.000 0.543 383 I N 0.512 120.916 120.570 -0.277 0.000 2.478 383 I HA 0.300 4.470 4.170 0.000 0.000 0.287 383 I C -1.181 174.587 176.117 -0.583 0.000 1.042 383 I CA -0.495 60.555 61.300 -0.417 0.000 1.067 383 I CB 2.695 40.413 38.000 -0.469 0.000 1.233 383 I HN 0.102 nan 8.210 nan 0.000 0.431 384 E N 5.450 125.316 120.200 -0.557 0.000 2.227 384 E HA 0.436 4.786 4.350 0.000 0.000 0.282 384 E C -1.450 174.815 176.600 -0.557 0.000 1.015 384 E CA -0.522 55.576 56.400 -0.504 0.000 0.823 384 E CB 1.559 31.027 29.700 -0.387 0.000 1.081 384 E HN 0.258 nan 8.360 nan 0.000 0.396 385 F N 1.147 120.995 119.950 -0.169 0.000 2.402 385 F HA 0.434 4.961 4.527 0.000 0.000 0.355 385 F C 0.715 176.588 175.800 0.122 0.000 1.123 385 F CA -0.693 57.316 58.000 0.016 0.000 1.021 385 F CB 1.968 41.044 39.000 0.126 0.000 1.160 385 F HN 0.405 nan 8.300 nan 0.000 0.451 386 G N 2.797 111.781 108.800 0.306 0.000 2.675 386 G HA2 0.259 4.220 3.960 0.000 0.000 0.297 386 G HA3 0.259 4.220 3.960 0.000 0.000 0.297 386 G C -0.209 174.864 174.900 0.289 0.000 1.399 386 G CA -0.785 44.485 45.100 0.282 0.000 0.981 386 G HN 0.720 nan 8.290 nan 0.000 0.519 387 N N 0.598 119.475 118.700 0.294 0.000 2.710 387 N HA -0.187 4.553 4.740 0.000 0.000 0.249 387 N C 0.348 176.008 175.510 0.249 0.000 1.059 387 N CA 1.312 54.512 53.050 0.251 0.000 0.720 387 N CB -0.575 38.054 38.487 0.237 0.000 0.983 387 N HN 0.442 nan 8.380 nan 0.000 0.544 388 S N 0.057 115.922 115.700 0.275 0.000 2.747 388 S HA 0.565 5.035 4.470 0.000 0.000 0.300 388 S C 0.028 174.768 174.600 0.232 0.000 1.121 388 S CA -0.690 57.682 58.200 0.287 0.000 0.995 388 S CB 2.478 65.877 63.200 0.331 0.000 1.113 388 S HN 0.139 nan 8.310 nan 0.000 0.547 389 Q N 1.304 121.245 119.800 0.235 0.000 2.315 389 Q HA 0.386 4.726 4.340 0.000 0.000 0.273 389 Q C -1.099 174.917 176.000 0.027 0.000 1.053 389 Q CA -0.636 55.210 55.803 0.071 0.000 0.817 389 Q CB 1.760 30.451 28.738 -0.078 0.000 1.326 389 Q HN 0.893 nan 8.270 nan 0.000 0.423 390 N N 0.779 119.471 118.700 -0.014 0.000 2.610 390 N HA -0.181 4.559 4.740 0.000 0.000 0.271 390 N C -1.162 174.372 175.510 0.041 0.000 1.146 390 N CA 0.310 53.367 53.050 0.012 0.000 0.711 390 N CB -0.373 38.118 38.487 0.006 0.000 0.883 390 N HN 0.438 nan 8.380 nan 0.000 0.548 391 V N 0.924 120.819 119.914 -0.031 0.000 2.919 391 V HA 0.916 5.037 4.120 0.000 0.000 0.316 391 V C -0.046 176.044 176.094 -0.007 0.000 1.077 391 V CA -0.876 61.348 62.300 -0.127 0.000 0.977 391 V CB 2.235 33.645 31.823 -0.688 0.000 1.039 391 V HN 0.393 nan 8.190 nan 0.000 0.441 392 M N 3.511 123.154 119.600 0.072 0.000 2.322 392 M HA 0.698 5.178 4.480 0.000 0.000 0.286 392 M C -2.308 174.088 176.300 0.161 0.000 1.111 392 M CA -0.438 54.973 55.300 0.185 0.000 0.941 392 M CB 2.274 35.042 32.600 0.281 0.000 1.671 392 M HN 0.674 nan 8.290 nan 0.000 0.470 393 V N 6.120 126.085 119.914 0.085 0.000 2.482 393 V HA 0.643 4.764 4.120 0.000 0.000 0.295 393 V C -1.157 174.800 176.094 -0.228 0.000 1.026 393 V CA -0.455 61.855 62.300 0.017 0.000 0.856 393 V CB 1.575 33.526 31.823 0.213 0.000 1.001 393 V HN 0.764 nan 8.190 nan 0.000 0.424 394 F N 2.615 122.223 119.950 -0.570 0.000 2.626 394 F HA 0.713 5.241 4.527 0.000 0.000 0.311 394 F C 0.416 175.957 175.800 -0.432 0.000 1.088 394 F CA -0.995 56.541 58.000 -0.774 0.000 0.949 394 F CB 1.640 39.712 39.000 -1.546 0.000 1.322 394 F HN 0.342 nan 8.300 nan 0.000 0.461 395 N N 0.116 118.682 118.700 -0.222 0.000 2.753 395 N HA -0.264 4.477 4.740 0.000 0.000 0.251 395 N C -0.887 174.474 175.510 -0.248 0.000 1.097 395 N CA 0.981 53.916 53.050 -0.192 0.000 0.786 395 N CB -1.652 36.718 38.487 -0.193 0.000 1.137 395 N HN 0.842 nan 8.380 nan 0.000 0.566 396 N N -0.202 118.327 118.700 -0.285 0.000 2.525 396 N HA 0.220 4.961 4.740 0.000 0.000 0.271 396 N C -0.500 174.837 175.510 -0.288 0.000 1.194 396 N CA -0.151 52.669 53.050 -0.385 0.000 0.964 396 N CB 0.462 38.638 38.487 -0.519 0.000 1.126 396 N HN 0.103 nan 8.380 nan 0.000 0.452 397 F N 2.968 122.647 119.950 -0.451 0.000 2.415 397 F HA 0.446 4.973 4.527 0.000 0.000 0.348 397 F C -1.250 174.327 175.800 -0.371 0.000 1.119 397 F CA -0.725 57.087 58.000 -0.313 0.000 1.069 397 F CB 0.419 39.238 39.000 -0.302 0.000 1.124 397 F HN 0.301 nan 8.300 nan 0.000 0.472 398 F N 4.455 124.027 119.950 -0.631 0.000 2.449 398 F HA 0.313 4.840 4.527 0.000 0.000 0.342 398 F C -0.709 174.767 175.800 -0.539 0.000 1.127 398 F CA -0.745 57.018 58.000 -0.395 0.000 0.975 398 F CB 1.605 40.413 39.000 -0.319 0.000 1.146 398 F HN 0.385 nan 8.300 nan 0.000 0.444 399 D N 2.183 122.546 120.400 -0.062 0.000 2.336 399 D HA 0.333 4.973 4.640 0.000 0.000 0.248 399 D C -0.918 175.499 176.300 0.195 0.000 1.326 399 D CA -0.171 53.846 54.000 0.028 0.000 0.973 399 D CB 0.962 41.832 40.800 0.117 0.000 1.255 399 D HN 0.512 nan 8.370 nan 0.000 0.558 400 T N -1.014 113.655 114.554 0.192 0.000 2.916 400 T HA 0.598 4.948 4.350 0.000 0.000 0.292 400 T C 1.288 176.086 174.700 0.164 0.000 1.055 400 T CA -0.628 61.571 62.100 0.165 0.000 1.009 400 T CB 1.738 70.656 68.868 0.082 0.000 1.118 400 T HN 0.126 nan 8.240 nan 0.000 0.497 401 G N -0.325 108.492 108.800 0.029 0.000 2.511 401 G HA2 0.119 4.080 3.960 0.000 0.000 0.217 401 G HA3 0.119 4.080 3.960 0.000 0.000 0.217 401 G C 0.365 175.081 174.900 -0.308 0.000 1.133 401 G CA 0.360 45.395 45.100 -0.108 0.000 0.792 401 G HN 0.814 nan 8.290 nan 0.000 0.539 402 D N -1.005 119.159 120.400 -0.393 0.000 3.224 402 D HA 0.127 4.767 4.640 0.000 0.000 0.268 402 D C -1.001 175.031 176.300 -0.446 0.000 1.310 402 D CA -0.598 52.918 54.000 -0.807 0.000 1.035 402 D CB 0.801 41.299 40.800 -0.503 0.000 1.293 402 D HN -0.156 nan 8.370 nan 0.000 0.630 403 D N 0.303 120.512 120.400 -0.319 0.000 2.423 403 D HA 0.041 4.681 4.640 0.000 0.000 0.238 403 D C 1.185 177.352 176.300 -0.223 0.000 1.142 403 D CA 0.001 53.886 54.000 -0.191 0.000 0.884 403 D CB 1.000 41.686 40.800 -0.190 0.000 1.199 403 D HN 0.303 nan 8.370 nan 0.000 0.438 404 C N 1.388 120.544 119.300 -0.241 0.000 2.587 404 C HA 0.070 4.531 4.460 0.000 0.000 0.282 404 C C 1.285 175.947 174.990 -0.547 0.000 1.277 404 C CA 0.007 58.798 59.018 -0.379 0.000 1.702 404 C CB -0.367 27.133 27.740 -0.400 0.000 2.113 404 C HN 0.497 nan 8.230 nan 0.000 0.490 405 I N 1.730 122.009 120.570 -0.485 0.000 2.418 405 I HA 0.297 4.467 4.170 0.000 0.000 0.287 405 I C -0.483 175.371 176.117 -0.438 0.000 1.008 405 I CA 0.126 61.156 61.300 -0.449 0.000 1.104 405 I CB 0.743 38.557 38.000 -0.311 0.000 1.264 405 I HN 0.379 nan 8.210 nan 0.000 0.438 406 N N 6.113 124.507 118.700 -0.511 0.000 2.314 406 N HA 0.504 5.245 4.740 0.000 0.000 0.304 406 N C -1.768 173.440 175.510 -0.502 0.000 1.073 406 N CA -0.382 52.433 53.050 -0.392 0.000 0.822 406 N CB 1.772 40.078 38.487 -0.301 0.000 1.280 406 N HN 0.235 nan 8.380 nan 0.000 0.489 407 F N 1.187 121.189 119.950 0.088 0.000 2.467 407 F HA 0.634 5.161 4.527 0.000 0.000 0.336 407 F C 0.466 176.351 175.800 0.142 0.000 1.123 407 F CA -0.651 57.445 58.000 0.160 0.000 0.964 407 F CB 1.923 41.025 39.000 0.170 0.000 1.136 407 F HN 0.410 nan 8.300 nan 0.000 0.447 408 A N 1.611 124.635 122.820 0.339 0.000 2.401 408 A HA 0.872 5.192 4.320 0.000 0.000 0.310 408 A C -0.278 177.496 177.584 0.318 0.000 1.075 408 A CA -0.277 51.947 52.037 0.312 0.000 0.746 408 A CB 1.506 20.688 19.000 0.304 0.000 1.277 408 A HN 1.004 nan 8.150 nan 0.000 0.425 409 A N 0.931 123.903 122.820 0.252 0.000 2.630 409 A HA 0.638 4.958 4.320 0.000 0.000 0.287 409 A C 0.912 178.477 177.584 -0.031 0.000 1.040 409 A CA 0.864 52.992 52.037 0.151 0.000 0.971 409 A CB -0.516 18.566 19.000 0.137 0.000 1.241 409 A HN 2.853 nan 8.150 nan 0.000 0.558 410 G N -0.599 108.088 108.800 -0.188 0.000 2.631 410 G HA2 0.378 4.338 3.960 0.000 0.000 0.504 410 G HA3 0.378 4.338 3.960 0.000 0.000 0.504 410 G C -0.243 174.319 174.900 -0.563 0.000 1.306 410 G CA 0.072 44.695 45.100 -0.794 0.000 0.897 410 G HN 2.002 nan 8.290 nan 0.000 0.520 411 T N -2.392 111.780 114.554 -0.636 0.000 2.991 411 T HA 0.883 5.233 4.350 0.000 0.000 0.303 411 T C 0.962 175.120 174.700 -0.904 0.000 1.015 411 T CA 0.961 62.591 62.100 -0.784 0.000 1.007 411 T CB 1.424 69.624 68.868 -1.114 0.000 1.034 411 T HN 3.027 nan 8.240 nan 0.000 0.446 412 G N 2.847 111.280 108.800 -0.611 0.000 2.568 412 G HA2 -0.182 3.778 3.960 0.000 0.000 0.222 412 G HA3 -0.182 3.778 3.960 0.000 0.000 0.222 412 G C 0.376 175.114 174.900 -0.271 0.000 1.321 412 G CA 0.563 45.490 45.100 -0.288 0.000 0.893 412 G HN 0.961 nan 8.290 nan 0.000 0.569 413 E N 0.066 120.155 120.200 -0.186 0.000 2.107 413 E HA 0.065 4.416 4.350 0.000 0.000 0.191 413 E C 2.381 178.849 176.600 -0.220 0.000 0.982 413 E CA 1.675 57.977 56.400 -0.163 0.000 0.809 413 E CB -0.071 29.571 29.700 -0.096 0.000 0.756 413 E HN 0.412 nan 8.360 nan 0.000 0.459 414 K N 0.051 120.223 120.400 -0.380 0.000 2.555 414 K HA 0.080 4.401 4.320 0.000 0.000 0.193 414 K C 1.739 178.151 176.600 -0.315 0.000 1.032 414 K CA 0.610 56.661 56.287 -0.393 0.000 1.004 414 K CB 0.106 32.239 32.500 -0.612 0.000 0.804 414 K HN 0.138 nan 8.250 nan 0.000 0.496 415 A N 2.575 125.194 122.820 -0.335 0.000 1.908 415 A HA -0.220 4.101 4.320 0.000 0.000 0.218 415 A C 2.134 179.712 177.584 -0.010 0.000 1.181 415 A CA 1.533 53.477 52.037 -0.156 0.000 0.627 415 A CB -0.401 18.463 19.000 -0.226 0.000 0.818 415 A HN 0.402 nan 8.150 nan 0.000 0.445 416 Q N 0.357 120.150 119.800 -0.012 0.000 2.541 416 Q HA -0.135 4.205 4.340 0.000 0.000 0.215 416 Q C 0.857 176.899 176.000 0.070 0.000 0.977 416 Q CA 1.397 57.228 55.803 0.048 0.000 0.934 416 Q CB -0.762 28.008 28.738 0.055 0.000 0.988 416 Q HN 0.770 nan 8.270 nan 0.000 0.521 417 E N 0.923 121.172 120.200 0.080 0.000 2.455 417 E HA -0.146 4.204 4.350 0.000 0.000 0.202 417 E C -0.094 176.579 176.600 0.120 0.000 1.045 417 E CA 0.624 57.089 56.400 0.109 0.000 0.872 417 E CB 0.081 29.873 29.700 0.152 0.000 0.792 417 E HN 0.638 nan 8.360 nan 0.000 0.542 418 Q N -0.264 119.609 119.800 0.122 0.000 2.421 418 Q HA 0.365 4.705 4.340 0.000 0.000 0.280 418 Q C -0.903 175.174 176.000 0.129 0.000 1.085 418 Q CA -0.788 55.094 55.803 0.132 0.000 0.807 418 Q CB 1.545 30.374 28.738 0.152 0.000 1.405 418 Q HN -0.078 nan 8.270 nan 0.000 0.419 419 E N 2.413 122.699 120.200 0.144 0.000 2.467 419 E HA -0.008 4.343 4.350 0.000 0.000 0.264 419 E C -2.037 174.659 176.600 0.159 0.000 1.020 419 E CA -1.034 55.458 56.400 0.154 0.000 0.945 419 E CB 0.270 30.083 29.700 0.189 0.000 0.942 419 E HN 0.301 nan 8.360 nan 0.000 0.449 420 P HA -0.052 nan 4.420 nan 0.000 0.274 420 P C -0.579 176.822 177.300 0.168 0.000 1.231 420 P CA -0.282 62.926 63.100 0.180 0.000 0.790 420 P CB 0.537 32.348 31.700 0.185 0.000 0.951 421 M N 2.981 122.691 119.600 0.183 0.000 2.538 421 M HA 0.113 4.594 4.480 0.000 0.000 0.327 421 M C -0.006 176.349 176.300 0.091 0.000 1.545 421 M CA 0.540 55.947 55.300 0.179 0.000 1.380 421 M CB -1.188 31.558 32.600 0.242 0.000 1.657 421 M HN 0.167 nan 8.290 nan 0.000 0.459 422 K N 3.854 124.288 120.400 0.057 0.000 2.502 422 K HA 0.641 4.961 4.320 0.000 0.000 0.254 422 K C -0.652 175.921 176.600 -0.045 0.000 0.947 422 K CA -0.113 56.169 56.287 -0.008 0.000 0.834 422 K CB 0.929 33.431 32.500 0.003 0.000 1.112 422 K HN 0.874 nan 8.250 nan 0.000 0.427 423 G N 2.422 111.168 108.800 -0.091 0.000 2.830 423 G HA2 0.130 4.090 3.960 0.000 0.000 0.298 423 G HA3 0.130 4.090 3.960 0.000 0.000 0.298 423 G C -0.859 173.993 174.900 -0.080 0.000 1.031 423 G CA -0.311 44.739 45.100 -0.083 0.000 1.179 423 G HN 0.767 nan 8.290 nan 0.000 0.527 424 A N 1.897 124.657 122.820 -0.100 0.000 2.371 424 A HA 0.828 5.148 4.320 0.000 0.000 0.311 424 A C -0.910 176.782 177.584 0.180 0.000 1.068 424 A CA -0.652 51.367 52.037 -0.029 0.000 0.744 424 A CB 1.622 20.510 19.000 -0.186 0.000 1.239 424 A HN 1.677 nan 8.150 nan 0.000 0.435 425 W N 4.516 125.851 121.300 0.057 0.000 2.499 425 W HA 0.616 5.276 4.660 0.000 0.000 0.320 425 W C -2.163 174.527 176.519 0.285 0.000 1.010 425 W CA -1.398 56.043 57.345 0.160 0.000 1.267 425 W CB 1.458 31.015 29.460 0.161 0.000 1.316 425 W HN 0.375 nan 8.180 nan 0.000 0.431 426 L N 9.426 130.886 121.223 0.396 0.000 2.318 426 L HA 0.491 4.832 4.340 0.000 0.000 0.277 426 L C -0.604 176.390 176.870 0.208 0.000 1.008 426 L CA -0.824 54.154 54.840 0.230 0.000 0.846 426 L CB -0.779 41.463 42.059 0.305 0.000 1.220 426 L HN 0.386 nan 8.230 nan 0.000 0.423 427 F N 0.988 120.878 119.950 -0.100 0.000 2.599 427 F HA 0.597 5.125 4.527 0.000 0.000 0.311 427 F C 0.580 176.351 175.800 -0.047 0.000 1.076 427 F CA -1.025 56.898 58.000 -0.129 0.000 0.937 427 F CB 1.236 40.021 39.000 -0.358 0.000 1.282 427 F HN 0.328 nan 8.300 nan 0.000 0.460 428 N N 0.964 119.746 118.700 0.138 0.000 2.721 428 N HA -0.227 4.513 4.740 0.000 0.000 0.249 428 N C -1.316 174.203 175.510 0.016 0.000 1.072 428 N CA 0.736 53.842 53.050 0.093 0.000 0.710 428 N CB -1.437 37.123 38.487 0.122 0.000 0.993 428 N HN 0.732 nan 8.380 nan 0.000 0.547 429 N N 0.056 118.750 118.700 -0.009 0.000 2.430 429 N HA 0.272 5.012 4.740 0.000 0.000 0.298 429 N C -0.677 174.768 175.510 -0.109 0.000 1.130 429 N CA -0.312 52.650 53.050 -0.148 0.000 0.894 429 N CB 1.154 39.403 38.487 -0.396 0.000 1.209 429 N HN 0.158 nan 8.380 nan 0.000 0.503 430 Y N 1.370 121.503 120.300 -0.278 0.000 2.356 430 Y HA 0.400 4.951 4.550 0.000 0.000 0.334 430 Y C -1.154 174.516 175.900 -0.385 0.000 0.958 430 Y CA -0.822 57.158 58.100 -0.201 0.000 1.196 430 Y CB 0.246 38.688 38.460 -0.029 0.000 1.137 430 Y HN 0.336 nan 8.280 nan 0.000 0.485 431 F N 6.591 126.305 119.950 -0.394 0.000 2.405 431 F HA 0.509 5.036 4.527 0.000 0.000 0.355 431 F C 0.782 176.255 175.800 -0.545 0.000 1.121 431 F CA -0.421 57.374 58.000 -0.340 0.000 1.112 431 F CB 1.162 40.007 39.000 -0.259 0.000 1.126 431 F HN 0.544 nan 8.300 nan 0.000 0.481 432 R N 2.368 122.669 120.500 -0.331 0.000 1.557 432 R HA 0.506 4.847 4.340 0.000 0.000 0.106 432 R C 0.245 176.454 176.300 -0.151 0.000 1.616 432 R CA -0.499 55.457 56.100 -0.240 0.000 1.892 432 R CB 0.379 30.558 30.300 -0.201 0.000 1.185 432 R HN 0.532 nan 8.270 nan 0.000 0.608 433 M N 0.131 119.639 119.600 -0.153 0.000 2.241 433 M HA 0.293 4.773 4.480 0.000 0.000 0.335 433 M C 0.156 176.467 176.300 0.018 0.000 1.122 433 M CA 0.408 55.635 55.300 -0.122 0.000 1.164 433 M CB 1.413 33.816 32.600 -0.327 0.000 1.459 433 M HN 0.772 nan 8.290 nan 0.000 0.461 434 G N -0.086 108.770 108.800 0.094 0.000 2.339 434 G HA2 0.130 4.091 3.960 0.000 0.000 0.302 434 G HA3 0.130 4.091 3.960 0.000 0.000 0.302 434 G C -0.795 174.227 174.900 0.203 0.000 1.425 434 G CA -0.830 44.359 45.100 0.150 0.000 0.899 434 G HN 0.732 nan 8.290 nan 0.000 0.619 435 H N -0.329 118.715 119.070 -0.043 0.000 2.551 435 H HA 0.431 4.987 4.556 0.000 0.000 0.266 435 H C 1.368 176.639 175.328 -0.095 0.000 0.977 435 H CA 0.892 56.906 56.048 -0.057 0.000 1.163 435 H CB 0.644 30.375 29.762 -0.051 0.000 1.381 435 H HN 1.216 nan 8.280 nan 0.000 0.581 436 G N -1.439 107.353 108.800 -0.015 0.000 2.387 436 G HA2 0.410 4.370 3.960 0.000 0.000 0.309 436 G HA3 0.410 4.370 3.960 0.000 0.000 0.309 436 G C 0.488 175.249 174.900 -0.232 0.000 1.641 436 G CA -0.188 44.841 45.100 -0.119 0.000 0.904 436 G HN 0.235 nan 8.290 nan 0.000 0.661 437 A N 1.853 124.447 122.820 -0.378 0.000 1.845 437 A HA 0.296 4.617 4.320 0.000 0.000 0.215 437 A C 1.051 178.284 177.584 -0.586 0.000 1.195 437 A CA 1.274 52.820 52.037 -0.818 0.000 0.616 437 A CB -0.146 18.105 19.000 -1.249 0.000 0.832 437 A HN 0.735 nan 8.150 nan 0.000 0.443 438 I N 0.699 121.090 120.570 -0.299 0.000 2.411 438 I HA 0.388 4.559 4.170 0.000 0.000 0.284 438 I C -1.174 174.942 176.117 -0.003 0.000 1.012 438 I CA -0.489 60.779 61.300 -0.052 0.000 1.119 438 I CB 1.221 39.301 38.000 0.133 0.000 1.261 438 I HN -0.068 nan 8.210 nan 0.000 0.448 439 V N 5.272 125.213 119.914 0.046 0.000 2.407 439 V HA 0.475 4.595 4.120 0.000 0.000 0.291 439 V C 0.219 176.441 176.094 0.214 0.000 1.018 439 V CA -0.526 61.807 62.300 0.054 0.000 0.842 439 V CB 1.904 33.706 31.823 -0.036 0.000 0.996 439 V HN 0.840 nan 8.190 nan 0.000 0.426 440 T N 0.690 115.373 114.554 0.215 0.000 2.912 440 T HA 0.661 5.011 4.350 0.000 0.000 0.326 440 T C 0.575 175.439 174.700 0.274 0.000 1.080 440 T CA 0.205 62.484 62.100 0.300 0.000 1.000 440 T CB 1.222 70.267 68.868 0.295 0.000 1.008 440 T HN 0.832 nan 8.240 nan 0.000 0.473 441 G N 0.914 109.873 108.800 0.264 0.000 3.102 441 G HA2 0.384 4.344 3.960 0.000 0.000 0.204 441 G HA3 0.384 4.344 3.960 0.000 0.000 0.204 441 G C 0.508 175.481 174.900 0.122 0.000 1.155 441 G CA 0.620 45.826 45.100 0.176 0.000 0.931 441 G HN 1.548 nan 8.290 nan 0.000 0.691 442 S N -0.146 115.673 115.700 0.199 0.000 1.352 442 S HA -0.262 4.208 4.470 0.000 0.000 0.248 442 S C 0.386 175.146 174.600 0.267 0.000 0.649 442 S CA 1.086 59.410 58.200 0.205 0.000 1.126 442 S CB -2.053 61.233 63.200 0.144 0.000 1.240 442 S HN 0.655 nan 8.310 nan 0.000 0.498 443 H N 2.886 122.021 119.070 0.108 0.000 3.330 443 H HA 0.320 4.876 4.556 0.000 0.000 0.260 443 H C 1.273 176.624 175.328 0.040 0.000 1.439 443 H CA 0.527 56.613 56.048 0.063 0.000 1.540 443 H CB 0.121 29.970 29.762 0.144 0.000 1.698 443 H HN 0.599 nan 8.280 nan 0.000 0.516 444 T N -1.132 113.459 114.554 0.062 0.000 3.129 444 T HA 0.107 4.457 4.350 0.000 0.000 0.267 444 T C 2.079 176.649 174.700 -0.217 0.000 1.018 444 T CA 0.061 62.140 62.100 -0.035 0.000 0.903 444 T CB 0.548 69.371 68.868 -0.077 0.000 1.067 444 T HN 0.546 nan 8.240 nan 0.000 0.549 445 G N 2.580 111.247 108.800 -0.222 0.000 2.719 445 G HA2 -0.222 3.739 3.960 0.000 0.000 0.219 445 G HA3 -0.222 3.739 3.960 0.000 0.000 0.219 445 G C 1.616 176.361 174.900 -0.258 0.000 1.234 445 G CA 0.945 45.874 45.100 -0.285 0.000 0.788 445 G HN 0.817 nan 8.290 nan 0.000 0.619 446 A N -1.784 120.970 122.820 -0.110 0.000 2.259 446 A HA 0.453 4.773 4.320 0.000 0.000 0.208 446 A C -0.017 177.689 177.584 0.204 0.000 1.201 446 A CA 0.204 52.261 52.037 0.034 0.000 0.824 446 A CB -0.650 18.402 19.000 0.087 0.000 0.838 446 A HN 0.729 nan 8.150 nan 0.000 0.485 447 W N -2.695 118.617 121.300 0.019 0.000 3.078 447 W HA -0.117 4.544 4.660 0.000 0.000 0.465 447 W C -0.756 175.792 176.519 0.048 0.000 1.856 447 W CA -0.495 56.866 57.345 0.025 0.000 0.459 447 W CB -0.825 28.643 29.460 0.013 0.000 2.859 447 W HN 0.165 nan 8.180 nan 0.000 0.416 448 I N 3.667 124.437 120.570 0.333 0.000 2.354 448 I HA 0.523 4.693 4.170 0.000 0.000 0.292 448 I C 0.246 176.457 176.117 0.156 0.000 0.989 448 I CA -0.384 61.042 61.300 0.211 0.000 1.188 448 I CB 1.321 39.445 38.000 0.206 0.000 1.342 448 I HN 0.270 nan 8.210 nan 0.000 0.457 449 E N 4.391 124.602 120.200 0.018 0.000 2.407 449 E HA 0.319 4.669 4.350 0.000 0.000 0.279 449 E C -1.581 174.944 176.600 -0.125 0.000 1.012 449 E CA -0.863 55.509 56.400 -0.047 0.000 0.800 449 E CB 1.628 31.311 29.700 -0.028 0.000 1.276 449 E HN 0.474 nan 8.360 nan 0.000 0.452 450 D N 0.857 121.172 120.400 -0.141 0.000 2.718 450 D HA -0.108 4.532 4.640 0.000 0.000 0.242 450 D C -0.625 175.569 176.300 -0.176 0.000 1.123 450 D CA 0.800 54.714 54.000 -0.144 0.000 0.690 450 D CB -1.040 39.691 40.800 -0.116 0.000 1.059 450 D HN 0.395 nan 8.370 nan 0.000 0.429 451 I N 0.732 121.172 120.570 -0.218 0.000 2.339 451 I HA 0.404 4.574 4.170 0.000 0.000 0.290 451 I C 0.342 176.383 176.117 -0.126 0.000 0.994 451 I CA -0.882 60.273 61.300 -0.242 0.000 1.191 451 I CB 1.382 39.145 38.000 -0.395 0.000 1.343 451 I HN 0.018 nan 8.210 nan 0.000 0.458 452 L N 6.818 128.033 121.223 -0.014 0.000 2.342 452 L HA 0.743 5.083 4.340 0.000 0.000 0.276 452 L C -0.290 176.699 176.870 0.197 0.000 0.997 452 L CA -0.314 54.562 54.840 0.061 0.000 0.838 452 L CB 1.377 43.439 42.059 0.005 0.000 1.224 452 L HN 0.660 nan 8.230 nan 0.000 0.416 453 A N 5.365 128.246 122.820 0.103 0.000 2.316 453 A HA 0.699 5.019 4.320 0.000 0.000 0.324 453 A C -0.566 176.968 177.584 -0.084 0.000 1.375 453 A CA -0.431 51.644 52.037 0.063 0.000 0.882 453 A CB 0.148 19.164 19.000 0.027 0.000 1.152 453 A HN 0.742 nan 8.150 nan 0.000 0.512 454 E N 1.213 121.451 120.200 0.064 0.000 2.317 454 E HA 0.567 4.917 4.350 0.000 0.000 0.270 454 E C -0.536 176.118 176.600 0.090 0.000 0.885 454 E CA -1.267 55.148 56.400 0.026 0.000 0.760 454 E CB 0.901 30.661 29.700 0.099 0.000 1.227 454 E HN 0.468 nan 8.360 nan 0.000 0.434 455 N N 1.056 119.792 118.700 0.062 0.000 2.756 455 N HA -0.136 4.604 4.740 0.000 0.000 0.248 455 N C -1.421 174.173 175.510 0.140 0.000 1.062 455 N CA 0.527 53.661 53.050 0.139 0.000 0.696 455 N CB -0.908 37.679 38.487 0.167 0.000 0.946 455 N HN 0.547 nan 8.380 nan 0.000 0.548 456 N N -0.304 118.451 118.700 0.090 0.000 2.328 456 N HA 0.627 5.367 4.740 0.000 0.000 0.299 456 N C -0.840 174.698 175.510 0.045 0.000 1.179 456 N CA -0.442 52.684 53.050 0.127 0.000 0.793 456 N CB 2.279 40.917 38.487 0.251 0.000 1.366 456 N HN -0.114 nan 8.380 nan 0.000 0.493 457 V N 1.894 121.816 119.914 0.012 0.000 2.604 457 V HA 0.479 4.600 4.120 0.000 0.000 0.305 457 V C -0.784 175.171 176.094 -0.232 0.000 1.043 457 V CA -0.519 61.610 62.300 -0.285 0.000 0.888 457 V CB 1.608 33.156 31.823 -0.459 0.000 0.995 457 V HN 0.564 nan 8.190 nan 0.000 0.429 458 M N 5.901 125.346 119.600 -0.258 0.000 2.253 458 M HA 0.499 4.979 4.480 0.000 0.000 0.314 458 M C -1.248 175.062 176.300 0.017 0.000 1.019 458 M CA -0.316 54.916 55.300 -0.112 0.000 0.932 458 M CB 1.657 34.238 32.600 -0.032 0.000 1.606 458 M HN 0.593 nan 8.290 nan 0.000 0.430 459 Y N 4.155 124.345 120.300 -0.183 0.000 2.329 459 Y HA 0.621 5.172 4.550 0.001 0.000 0.328 459 Y C 0.050 175.947 175.900 -0.004 0.000 0.992 459 Y CA -1.068 57.058 58.100 0.043 0.000 1.151 459 Y CB 0.844 39.432 38.460 0.214 0.000 1.150 459 Y HN 0.708 nan 8.280 nan 0.000 0.450 460 L N 2.890 123.862 121.223 -0.419 0.000 5.044 460 L HA -0.270 4.070 4.340 0.000 0.000 0.412 460 L C 0.370 177.111 176.870 -0.215 0.000 0.971 460 L CA 0.892 55.482 54.840 -0.416 0.000 1.411 460 L CB -1.989 39.727 42.059 -0.572 0.000 1.884 460 L HN 0.672 nan 8.230 nan 0.000 0.631 461 T N -0.497 113.969 114.554 -0.146 0.000 2.855 461 T HA 0.060 4.410 4.350 0.000 0.000 0.314 461 T C 1.004 175.650 174.700 -0.089 0.000 1.077 461 T CA 0.008 62.049 62.100 -0.098 0.000 1.095 461 T CB 1.045 69.855 68.868 -0.096 0.000 0.987 461 T HN 0.079 nan 8.240 nan 0.000 0.546 462 D N 0.293 120.650 120.400 -0.071 0.000 2.103 462 D HA 0.118 4.758 4.640 0.000 0.000 0.199 462 D C 0.547 176.794 176.300 -0.089 0.000 0.978 462 D CA 1.189 55.141 54.000 -0.080 0.000 0.829 462 D CB 0.094 40.841 40.800 -0.090 0.000 0.981 462 D HN 0.475 nan 8.370 nan 0.000 0.464 463 I N -1.298 119.210 120.570 -0.103 0.000 2.752 463 I HA 0.291 4.462 4.170 0.000 0.000 0.295 463 I C 1.183 177.200 176.117 -0.166 0.000 1.219 463 I CA -0.821 60.404 61.300 -0.125 0.000 1.030 463 I CB 2.611 40.537 38.000 -0.122 0.000 1.259 463 I HN -0.119 nan 8.210 nan 0.000 0.423 464 G N 4.475 113.160 108.800 -0.192 0.000 2.456 464 G HA2 0.034 3.994 3.960 0.000 0.000 0.213 464 G HA3 0.034 3.994 3.960 0.000 0.000 0.213 464 G C 0.038 174.696 174.900 -0.403 0.000 1.215 464 G CA 0.707 45.663 45.100 -0.240 0.000 0.805 464 G HN 0.341 nan 8.290 nan 0.000 0.537 465 L N 0.109 120.988 121.223 -0.572 0.000 2.349 465 L HA 0.671 5.011 4.340 0.000 0.000 0.278 465 L C -0.459 176.256 176.870 -0.258 0.000 0.996 465 L CA -0.996 53.554 54.840 -0.484 0.000 0.825 465 L CB 1.934 43.532 42.059 -0.769 0.000 1.243 465 L HN 0.096 nan 8.230 nan 0.000 0.412 466 R N 4.168 124.576 120.500 -0.153 0.000 2.439 466 R HA 0.853 5.193 4.340 0.000 0.000 0.310 466 R C -1.449 174.793 176.300 -0.096 0.000 0.955 466 R CA -0.449 55.579 56.100 -0.119 0.000 0.853 466 R CB 1.566 31.814 30.300 -0.086 0.000 1.171 466 R HN 0.794 nan 8.270 nan 0.000 0.449 467 A N 4.879 127.574 122.820 -0.209 0.000 2.375 467 A HA 0.441 4.761 4.320 0.000 0.000 0.291 467 A C -1.258 176.082 177.584 -0.406 0.000 1.160 467 A CA -0.882 50.904 52.037 -0.418 0.000 0.747 467 A CB 0.771 19.244 19.000 -0.878 0.000 1.170 467 A HN 0.724 nan 8.150 nan 0.000 0.458 468 K N 0.919 121.316 120.400 -0.006 0.000 2.378 468 K HA 0.879 5.200 4.320 0.000 0.000 0.252 468 K C -0.399 176.479 176.600 0.463 0.000 0.931 468 K CA -0.601 55.812 56.287 0.209 0.000 0.794 468 K CB 2.270 34.842 32.500 0.120 0.000 1.181 468 K HN 0.411 nan 8.250 nan 0.000 0.425 469 S N 0.391 116.348 115.700 0.427 0.000 2.727 469 S HA 0.667 5.138 4.470 0.000 0.000 0.278 469 S C -1.516 173.177 174.600 0.156 0.000 1.186 469 S CA -0.453 57.892 58.200 0.240 0.000 0.836 469 S CB 1.474 64.702 63.200 0.047 0.000 1.186 469 S HN 0.871 nan 8.310 nan 0.000 0.499 470 T N -1.429 113.173 114.554 0.080 0.000 2.901 470 T HA 0.559 4.909 4.350 0.000 0.000 0.293 470 T C 0.882 175.584 174.700 0.002 0.000 1.084 470 T CA 0.125 62.260 62.100 0.059 0.000 1.008 470 T CB 1.179 70.090 68.868 0.072 0.000 1.170 470 T HN 0.480 nan 8.240 nan 0.000 0.509 471 S N 0.139 115.849 115.700 0.017 0.000 2.399 471 S HA -0.125 4.345 4.470 0.000 0.000 0.231 471 S C 2.049 176.642 174.600 -0.013 0.000 1.022 471 S CA 2.263 60.473 58.200 0.017 0.000 0.983 471 S CB -1.243 62.062 63.200 0.175 0.000 0.803 471 S HN 0.975 nan 8.310 nan 0.000 0.480 472 T N -0.246 114.304 114.554 -0.006 0.000 2.951 472 T HA 0.094 4.445 4.350 0.000 0.000 0.268 472 T C 1.724 176.476 174.700 0.086 0.000 1.073 472 T CA 1.027 63.147 62.100 0.033 0.000 1.134 472 T CB -0.545 68.344 68.868 0.036 0.000 0.884 472 T HN 0.446 nan 8.240 nan 0.000 0.479 473 I N 1.470 122.061 120.570 0.035 0.000 2.394 473 I HA 0.176 4.346 4.170 0.000 0.000 0.251 473 I C 1.883 177.886 176.117 -0.189 0.000 1.136 473 I CA 0.828 62.074 61.300 -0.090 0.000 1.425 473 I CB -1.108 36.844 38.000 -0.080 0.000 1.079 473 I HN 0.667 nan 8.210 nan 0.000 0.425 474 G N 0.064 108.751 108.800 -0.189 0.000 2.698 474 G HA2 0.019 3.979 3.960 0.000 0.000 0.233 474 G HA3 0.019 3.979 3.960 0.000 0.000 0.233 474 G C 0.543 175.172 174.900 -0.453 0.000 1.352 474 G CA -0.426 44.512 45.100 -0.270 0.000 0.879 474 G HN 0.955 nan 8.290 nan 0.000 0.567 475 G N -1.310 107.107 108.800 -0.639 0.000 2.591 475 G HA2 0.414 4.375 3.960 0.000 0.000 0.298 475 G HA3 0.414 4.375 3.960 0.000 0.000 0.298 475 G C 1.335 175.300 174.900 -1.559 0.000 1.195 475 G CA 1.923 46.238 45.100 -1.309 0.000 0.989 475 G HN 3.320 nan 8.290 nan 0.000 0.551 476 G N -2.118 105.952 108.800 -1.217 0.000 2.302 476 G HA2 0.618 4.578 3.960 0.000 0.000 0.276 476 G HA3 0.618 4.578 3.960 0.000 0.000 0.276 476 G C -0.530 174.315 174.900 -0.092 0.000 1.316 476 G CA 0.971 45.596 45.100 -0.792 0.000 0.988 476 G HN 2.670 nan 8.290 nan 0.000 0.479 477 A N -0.208 122.822 122.820 0.349 0.000 2.414 477 A HA 1.006 5.326 4.320 0.000 0.000 0.306 477 A C -0.036 177.899 177.584 0.584 0.000 1.054 477 A CA 0.244 52.655 52.037 0.624 0.000 0.724 477 A CB 1.485 20.957 19.000 0.786 0.000 1.267 477 A HN 1.684 nan 8.150 nan 0.000 0.418 478 R N 1.272 121.923 120.500 0.251 0.000 2.739 478 R HA 0.631 4.971 4.340 0.000 0.000 0.271 478 R C -0.486 175.744 176.300 -0.117 0.000 1.010 478 R CA -0.690 55.353 56.100 -0.094 0.000 0.897 478 R CB 0.656 30.582 30.300 -0.623 0.000 1.236 478 R HN 0.687 nan 8.270 nan 0.000 0.466 479 N N -0.016 118.613 118.700 -0.119 0.000 2.688 479 N HA -0.149 4.591 4.740 0.000 0.000 0.258 479 N C -1.682 173.695 175.510 -0.221 0.000 1.016 479 N CA 0.653 53.631 53.050 -0.119 0.000 0.747 479 N CB -0.428 38.002 38.487 -0.096 0.000 0.895 479 N HN 0.451 nan 8.380 nan 0.000 0.543 480 V N 1.353 121.018 119.914 -0.416 0.000 2.384 480 V HA 0.480 4.600 4.120 0.000 0.000 0.287 480 V C 0.504 176.368 176.094 -0.384 0.000 1.020 480 V CA -0.405 61.556 62.300 -0.565 0.000 0.850 480 V CB 1.909 33.027 31.823 -1.176 0.000 0.987 480 V HN 0.346 nan 8.190 nan 0.000 0.436 481 T N 5.798 120.246 114.554 -0.176 0.000 2.807 481 T HA 0.550 4.900 4.350 0.000 0.000 0.279 481 T C -0.951 173.782 174.700 0.055 0.000 0.993 481 T CA -0.168 61.907 62.100 -0.042 0.000 0.970 481 T CB 0.972 69.821 68.868 -0.032 0.000 0.950 481 T HN 0.453 nan 8.240 nan 0.000 0.441 482 F N 5.599 125.514 119.950 -0.059 0.000 2.513 482 F HA 0.574 5.101 4.527 0.000 0.000 0.358 482 F C -0.029 175.759 175.800 -0.020 0.000 1.118 482 F CA -0.780 57.200 58.000 -0.034 0.000 1.037 482 F CB 0.597 39.575 39.000 -0.037 0.000 1.276 482 F HN 0.575 nan 8.300 nan 0.000 0.446 483 R N 3.025 123.384 120.500 -0.235 0.000 2.799 483 R HA 0.511 4.851 4.340 0.000 0.000 0.270 483 R C -0.750 175.396 176.300 -0.258 0.000 1.010 483 R CA -0.928 55.075 56.100 -0.161 0.000 0.916 483 R CB 0.944 31.206 30.300 -0.064 0.000 1.228 483 R HN 0.428 nan 8.270 nan 0.000 0.469 484 N N 0.047 118.549 118.700 -0.330 0.000 2.725 484 N HA -0.202 4.538 4.740 0.000 0.000 0.251 484 N C -1.567 173.804 175.510 -0.232 0.000 1.031 484 N CA 1.241 54.009 53.050 -0.471 0.000 0.720 484 N CB -1.384 37.053 38.487 -0.084 0.000 0.930 484 N HN 0.740 nan 8.380 nan 0.000 0.543 485 N N -0.397 118.148 118.700 -0.259 0.000 2.269 485 N HA 0.723 5.463 4.740 0.000 0.000 0.304 485 N C -0.721 174.798 175.510 0.015 0.000 1.072 485 N CA -0.608 52.361 53.050 -0.135 0.000 0.802 485 N CB 1.640 39.905 38.487 -0.371 0.000 1.348 485 N HN 0.242 nan 8.380 nan 0.000 0.484 486 A N 2.129 124.980 122.820 0.052 0.000 2.342 486 A HA 0.812 5.132 4.320 0.000 0.000 0.323 486 A C -0.799 176.801 177.584 0.027 0.000 1.125 486 A CA -0.498 51.613 52.037 0.123 0.000 0.785 486 A CB 0.675 19.821 19.000 0.245 0.000 1.221 486 A HN 0.606 nan 8.150 nan 0.000 0.463 487 M N 1.638 121.410 119.600 0.287 0.000 2.446 487 M HA 0.582 5.063 4.480 0.000 0.000 0.294 487 M C -0.528 176.059 176.300 0.478 0.000 1.158 487 M CA -0.463 55.018 55.300 0.302 0.000 0.899 487 M CB 2.765 35.477 32.600 0.187 0.000 1.687 487 M HN 0.817 nan 8.290 nan 0.000 0.455 488 R N 1.181 121.984 120.500 0.505 0.000 2.564 488 R HA 0.360 4.701 4.340 0.000 0.000 0.284 488 R C -1.349 175.122 176.300 0.286 0.000 1.031 488 R CA -0.143 56.190 56.100 0.390 0.000 0.904 488 R CB 1.210 31.693 30.300 0.305 0.000 1.199 488 R HN 0.814 nan 8.270 nan 0.000 0.443 489 D N 2.822 123.308 120.400 0.144 0.000 2.800 489 D HA -0.177 4.463 4.640 0.000 0.000 0.232 489 D C -0.306 175.974 176.300 -0.033 0.000 1.137 489 D CA 0.975 54.997 54.000 0.037 0.000 0.718 489 D CB -0.847 39.961 40.800 0.014 0.000 1.084 489 D HN 0.478 nan 8.370 nan 0.000 0.432 490 L N -0.197 121.028 121.223 0.002 0.000 2.514 490 L HA 0.142 4.483 4.340 0.000 0.000 0.280 490 L C 1.880 178.718 176.870 -0.054 0.000 1.223 490 L CA 0.588 55.408 54.840 -0.032 0.000 0.864 490 L CB 0.490 42.540 42.059 -0.015 0.000 1.118 490 L HN 0.178 nan 8.230 nan 0.000 0.494 491 A N 3.367 126.143 122.820 -0.074 0.000 2.081 491 A HA 0.009 4.330 4.320 0.000 0.000 0.214 491 A C 1.737 179.281 177.584 -0.066 0.000 1.158 491 A CA 0.843 52.837 52.037 -0.073 0.000 0.724 491 A CB 0.092 19.043 19.000 -0.081 0.000 0.826 491 A HN 0.886 nan 8.150 nan 0.000 0.463 492 K N -1.798 118.561 120.400 -0.068 0.000 2.550 492 K HA 0.282 4.602 4.320 0.000 0.000 0.225 492 K C -0.159 176.404 176.600 -0.062 0.000 1.361 492 K CA 0.171 56.417 56.287 -0.068 0.000 0.801 492 K CB 0.439 32.891 32.500 -0.081 0.000 1.698 492 K HN 0.359 nan 8.250 nan 0.000 0.411 493 Q N 0.118 119.877 119.800 -0.069 0.000 2.456 493 Q HA 0.292 4.633 4.340 0.000 0.000 0.284 493 Q C 0.453 176.407 176.000 -0.077 0.000 1.061 493 Q CA -0.519 55.243 55.803 -0.067 0.000 0.799 493 Q CB 2.769 31.462 28.738 -0.076 0.000 1.445 493 Q HN -0.102 nan 8.270 nan 0.000 0.411 494 V N 0.134 120.006 119.914 -0.069 0.000 2.302 494 V HA 0.043 4.163 4.120 0.000 0.000 0.243 494 V C 0.553 176.547 176.094 -0.167 0.000 1.036 494 V CA 1.389 63.637 62.300 -0.086 0.000 1.020 494 V CB 0.042 31.839 31.823 -0.043 0.000 0.657 494 V HN 0.721 nan 8.190 nan 0.000 0.453 495 M N -0.160 119.358 119.600 -0.137 0.000 2.378 495 M HA 0.601 5.081 4.480 0.000 0.000 0.289 495 M C -2.180 174.043 176.300 -0.129 0.000 1.136 495 M CA -0.298 54.900 55.300 -0.171 0.000 0.917 495 M CB 2.366 34.878 32.600 -0.146 0.000 1.669 495 M HN -0.034 nan 8.290 nan 0.000 0.461 496 V N 5.073 124.894 119.914 -0.155 0.000 2.789 496 V HA 0.614 4.734 4.120 0.000 0.000 0.311 496 V C -0.777 175.173 176.094 -0.240 0.000 1.073 496 V CA -0.588 61.619 62.300 -0.154 0.000 0.921 496 V CB 2.196 33.950 31.823 -0.116 0.000 1.009 496 V HN 0.960 nan 8.190 nan 0.000 0.426 497 M N 3.916 123.340 119.600 -0.293 0.000 1.996 497 M HA 0.359 4.839 4.480 0.000 0.000 0.268 497 M C -0.590 175.545 176.300 -0.275 0.000 0.888 497 M CA -0.278 54.723 55.300 -0.499 0.000 0.939 497 M CB 1.922 34.072 32.600 -0.751 0.000 1.736 497 M HN 0.786 nan 8.290 nan 0.000 0.407 498 T N 0.639 115.174 114.554 -0.031 0.000 2.859 498 T HA 0.783 5.133 4.350 0.000 0.000 0.281 498 T C -0.505 174.446 174.700 0.418 0.000 1.005 498 T CA -0.794 61.416 62.100 0.184 0.000 1.025 498 T CB 2.315 71.252 68.868 0.114 0.000 0.977 498 T HN 0.644 nan 8.240 nan 0.000 0.458 499 L N 2.394 123.862 121.223 0.409 0.000 2.457 499 L HA 0.397 4.737 4.340 0.000 0.000 0.266 499 L C -1.534 175.441 176.870 0.176 0.000 0.979 499 L CA -0.799 54.214 54.840 0.289 0.000 0.857 499 L CB 1.266 43.414 42.059 0.148 0.000 1.213 499 L HN 0.727 nan 8.230 nan 0.000 0.418 500 D N 3.729 124.217 120.400 0.147 0.000 2.485 500 D HA 0.139 4.780 4.640 0.000 0.000 0.229 500 D C -0.496 175.869 176.300 0.109 0.000 1.101 500 D CA -0.054 54.021 54.000 0.125 0.000 0.906 500 D CB 0.515 41.377 40.800 0.103 0.000 1.019 500 D HN 0.238 nan 8.370 nan 0.000 0.516 501 Y N 2.159 122.466 120.300 0.012 0.000 2.620 501 Y HA 0.289 4.840 4.550 0.000 0.000 0.330 501 Y C 0.454 176.355 175.900 0.001 0.000 1.186 501 Y CA -0.273 57.821 58.100 -0.010 0.000 1.467 501 Y CB 0.515 38.961 38.460 -0.024 0.000 1.262 501 Y HN 0.413 nan 8.280 nan 0.000 0.550 502 A N 3.954 126.313 122.820 -0.769 0.000 3.774 502 A HA 0.415 4.735 4.320 0.000 0.000 0.171 502 A C 0.425 177.597 177.584 -0.686 0.000 1.655 502 A CA 0.832 52.547 52.037 -0.536 0.000 1.543 502 A CB 0.111 18.928 19.000 -0.305 0.000 1.659 502 A HN 0.823 nan 8.150 nan 0.000 0.636 503 D N -3.701 116.451 120.400 -0.414 0.000 1.478 503 D HA -0.023 4.618 4.640 0.000 0.000 0.685 503 D C -0.491 175.696 176.300 -0.188 0.000 0.911 503 D CA 1.083 54.869 54.000 -0.357 0.000 1.182 503 D CB -0.142 40.388 40.800 -0.450 0.000 2.087 503 D HN 0.704 nan 8.370 nan 0.000 0.404 504 S N 0.578 116.190 115.700 -0.147 0.000 2.680 504 S HA 0.314 4.784 4.470 0.000 0.000 0.140 504 S C -0.784 173.776 174.600 -0.066 0.000 1.357 504 S CA -0.259 57.885 58.200 -0.093 0.000 1.201 504 S CB -0.840 62.317 63.200 -0.073 0.000 1.547 504 S HN 0.237 nan 8.310 nan 0.000 0.411 505 N N 1.017 119.679 118.700 -0.063 0.000 2.699 505 N HA -0.227 4.513 4.740 0.000 0.000 0.256 505 N C 1.028 176.486 175.510 -0.086 0.000 0.993 505 N CA 0.533 53.538 53.050 -0.076 0.000 0.759 505 N CB -1.022 37.405 38.487 -0.100 0.000 0.906 505 N HN 0.901 nan 8.380 nan 0.000 0.541 506 A N 0.073 122.849 122.820 -0.073 0.000 2.172 506 A HA -0.070 4.251 4.320 0.000 0.000 0.216 506 A C 0.865 178.388 177.584 -0.102 0.000 1.154 506 A CA 0.577 52.564 52.037 -0.083 0.000 0.701 506 A CB -0.177 18.785 19.000 -0.064 0.000 0.789 506 A HN 0.603 nan 8.150 nan 0.000 0.465 507 N N 1.242 119.888 118.700 -0.091 0.000 2.657 507 N HA 0.128 4.869 4.740 0.000 0.000 0.308 507 N C -0.966 174.456 175.510 -0.146 0.000 1.212 507 N CA 0.408 53.402 53.050 -0.093 0.000 1.157 507 N CB -0.092 38.360 38.487 -0.059 0.000 1.462 507 N HN 0.278 nan 8.380 nan 0.000 0.509 508 I N 0.777 121.220 120.570 -0.213 0.000 2.499 508 I HA 0.144 4.314 4.170 0.000 0.000 0.288 508 I C 0.157 176.031 176.117 -0.404 0.000 1.048 508 I CA -0.694 60.354 61.300 -0.421 0.000 1.062 508 I CB 1.960 39.657 38.000 -0.504 0.000 1.238 508 I HN 0.228 nan 8.210 nan 0.000 0.426 509 D N 4.494 124.630 120.400 -0.440 0.000 2.355 509 D HA -0.006 4.634 4.640 0.000 0.000 0.218 509 D C 0.055 176.336 176.300 -0.032 0.000 1.004 509 D CA 1.075 54.991 54.000 -0.141 0.000 0.880 509 D CB 0.109 40.935 40.800 0.044 0.000 0.911 509 D HN 0.569 nan 8.370 nan 0.000 0.528 510 Y N -1.722 118.599 120.300 0.036 0.000 2.605 510 Y HA 0.645 5.196 4.550 0.000 0.000 0.343 510 Y C -2.910 172.954 175.900 -0.061 0.000 1.036 510 Y CA -3.673 54.432 58.100 0.009 0.000 1.065 510 Y CB -0.151 38.311 38.460 0.003 0.000 1.288 510 Y HN -0.383 nan 8.280 nan 0.000 0.481 511 P HA 0.166 nan 4.420 nan 0.000 0.262 511 P C -2.520 174.832 177.300 0.086 0.000 1.199 511 P CA -0.572 62.534 63.100 0.010 0.000 0.763 511 P CB 0.231 31.911 31.700 -0.033 0.000 0.790 512 P HA -0.009 nan 4.420 nan 0.000 0.269 512 P C -0.434 176.879 177.300 0.021 0.000 1.211 512 P CA 0.296 63.416 63.100 0.032 0.000 0.781 512 P CB 0.384 32.059 31.700 -0.042 0.000 0.877 513 A N 2.284 125.112 122.820 0.013 0.000 2.328 513 A HA 0.222 4.542 4.320 0.000 0.000 0.284 513 A C 1.181 178.746 177.584 -0.031 0.000 1.160 513 A CA -0.240 51.775 52.037 -0.037 0.000 0.818 513 A CB 0.253 19.209 19.000 -0.074 0.000 1.087 513 A HN 0.367 nan 8.150 nan 0.000 0.504 514 K N 1.993 122.373 120.400 -0.033 0.000 2.005 514 K HA 0.095 4.415 4.320 0.000 0.000 0.206 514 K C 0.455 177.040 176.600 -0.025 0.000 1.044 514 K CA 1.189 57.462 56.287 -0.022 0.000 0.942 514 K CB -0.313 32.176 32.500 -0.018 0.000 0.727 514 K HN 0.764 nan 8.250 nan 0.000 0.439 515 I N 5.079 125.631 120.570 -0.031 0.000 2.379 515 I HA 0.048 4.219 4.170 0.000 0.000 0.290 515 I C -1.944 174.131 176.117 -0.070 0.000 1.063 515 I CA -1.825 59.454 61.300 -0.035 0.000 1.351 515 I CB 0.755 38.754 38.000 -0.002 0.000 1.410 515 I HN 0.022 nan 8.210 nan 0.000 0.505 516 P HA 0.208 nan 4.420 nan 0.000 0.274 516 P C -0.582 176.608 177.300 -0.183 0.000 1.256 516 P CA -0.495 62.541 63.100 -0.107 0.000 0.795 516 P CB 0.759 32.410 31.700 -0.081 0.000 1.038 517 A N 1.151 123.837 122.820 -0.222 0.000 2.351 517 A HA 0.494 4.814 4.320 0.000 0.000 0.257 517 A C 0.114 177.476 177.584 -0.369 0.000 1.087 517 A CA -0.092 51.730 52.037 -0.359 0.000 0.798 517 A CB -0.023 18.766 19.000 -0.352 0.000 1.033 517 A HN 0.667 nan 8.150 nan 0.000 0.488 518 Q N 0.417 119.936 119.800 -0.468 0.000 2.386 518 Q HA 0.599 4.939 4.340 0.000 0.000 0.274 518 Q C -2.103 173.728 176.000 -0.283 0.000 1.011 518 Q CA -0.592 55.041 55.803 -0.283 0.000 0.867 518 Q CB 1.085 29.828 28.738 0.009 0.000 1.409 518 Q HN 0.418 nan 8.270 nan 0.000 0.395 519 F N 2.292 122.380 119.950 0.229 0.000 2.444 519 F HA 0.653 5.181 4.527 0.001 0.000 0.342 519 F C -0.626 175.334 175.800 0.267 0.000 1.121 519 F CA -0.546 57.560 58.000 0.177 0.000 0.997 519 F CB 1.328 40.283 39.000 -0.075 0.000 1.130 519 F HN 0.576 nan 8.300 nan 0.000 0.454 520 Y N -0.474 120.077 120.300 0.418 0.000 2.609 520 Y HA 0.572 5.122 4.550 0.000 0.000 0.336 520 Y C -0.658 175.493 175.900 0.418 0.000 1.129 520 Y CA -2.339 55.954 58.100 0.322 0.000 1.040 520 Y CB 1.263 39.865 38.460 0.237 0.000 1.310 520 Y HN 0.507 nan 8.280 nan 0.000 0.460 521 D N 1.002 121.676 120.400 0.457 0.000 2.848 521 D HA -0.192 4.448 4.640 0.000 0.000 0.245 521 D C -1.975 174.546 176.300 0.369 0.000 1.122 521 D CA 0.931 55.143 54.000 0.354 0.000 0.769 521 D CB -1.206 39.783 40.800 0.316 0.000 1.025 521 D HN 0.536 nan 8.370 nan 0.000 0.423 522 F N 0.427 120.390 119.950 0.022 0.000 2.469 522 F HA 0.545 5.072 4.527 0.000 0.000 0.332 522 F C 0.848 176.671 175.800 0.038 0.000 1.103 522 F CA -0.445 57.571 58.000 0.027 0.000 0.979 522 F CB 2.197 41.197 39.000 0.001 0.000 1.137 522 F HN -0.137 nan 8.300 nan 0.000 0.463 523 T N 5.060 119.720 114.554 0.176 0.000 2.809 523 T HA 0.499 4.849 4.350 0.000 0.000 0.284 523 T C -1.173 173.625 174.700 0.163 0.000 0.992 523 T CA -0.396 61.809 62.100 0.177 0.000 0.957 523 T CB 1.063 70.022 68.868 0.152 0.000 0.942 523 T HN 0.343 nan 8.240 nan 0.000 0.439 524 L N 4.057 125.383 121.223 0.171 0.000 2.294 524 L HA 0.658 4.998 4.340 0.000 0.000 0.283 524 L C -0.373 176.588 176.870 0.152 0.000 1.015 524 L CA -0.160 54.797 54.840 0.194 0.000 0.831 524 L CB 0.773 42.943 42.059 0.186 0.000 1.217 524 L HN 0.464 nan 8.230 nan 0.000 0.420 525 K N 3.431 123.905 120.400 0.123 0.000 2.501 525 K HA 0.428 4.749 4.320 0.000 0.000 0.252 525 K C -0.740 175.859 176.600 -0.002 0.000 0.934 525 K CA -0.679 55.646 56.287 0.063 0.000 0.797 525 K CB 1.300 33.827 32.500 0.045 0.000 1.270 525 K HN 0.564 nan 8.250 nan 0.000 0.431 526 N N 0.610 119.299 118.700 -0.019 0.000 2.714 526 N HA -0.148 4.593 4.740 0.000 0.000 0.253 526 N C -1.532 173.847 175.510 -0.218 0.000 1.024 526 N CA 0.709 53.691 53.050 -0.115 0.000 0.726 526 N CB -1.097 37.271 38.487 -0.198 0.000 0.908 526 N HN 0.210 nan 8.380 nan 0.000 0.542 527 V N 0.120 120.000 119.914 -0.057 0.000 2.588 527 V HA 0.670 4.790 4.120 0.000 0.000 0.304 527 V C 0.286 176.396 176.094 0.026 0.000 1.042 527 V CA -0.547 61.758 62.300 0.008 0.000 0.877 527 V CB 2.351 34.261 31.823 0.145 0.000 0.996 527 V HN 0.414 nan 8.190 nan 0.000 0.425 528 T N 1.720 116.309 114.554 0.058 0.000 2.824 528 T HA 0.816 5.167 4.350 0.000 0.000 0.282 528 T C -0.886 173.944 174.700 0.216 0.000 0.993 528 T CA -0.744 61.373 62.100 0.028 0.000 0.967 528 T CB 1.688 70.460 68.868 -0.160 0.000 0.960 528 T HN 0.309 nan 8.240 nan 0.000 0.441 529 V N 2.527 122.618 119.914 0.295 0.000 2.487 529 V HA 0.519 4.640 4.120 0.000 0.000 0.298 529 V C -0.833 175.503 176.094 0.403 0.000 1.028 529 V CA -0.744 61.743 62.300 0.311 0.000 0.860 529 V CB 1.717 33.640 31.823 0.166 0.000 0.991 529 V HN 1.024 nan 8.190 nan 0.000 0.427 530 D N 4.883 125.471 120.400 0.313 0.000 2.392 530 D HA 0.394 5.034 4.640 0.000 0.000 0.228 530 D C -0.226 176.094 176.300 0.033 0.000 1.074 530 D CA 0.107 54.133 54.000 0.044 0.000 0.838 530 D CB 0.409 41.167 40.800 -0.070 0.000 1.067 530 D HN 0.539 nan 8.370 nan 0.000 0.511 531 N N 2.122 120.819 118.700 -0.005 0.000 4.145 531 N HA -0.192 4.549 4.740 0.000 0.000 0.312 531 N C -1.772 173.748 175.510 0.016 0.000 2.209 531 N CA 0.344 53.392 53.050 -0.003 0.000 2.838 531 N CB -0.505 37.975 38.487 -0.013 0.000 0.342 531 N HN 0.162 nan 8.380 nan 0.000 0.637 532 S N 1.635 117.336 115.700 0.002 0.000 2.659 532 S HA 0.500 4.970 4.470 0.000 0.000 0.312 532 S C 1.086 175.673 174.600 -0.021 0.000 1.114 532 S CA 0.138 58.334 58.200 -0.008 0.000 1.063 532 S CB 0.716 63.912 63.200 -0.007 0.000 0.996 532 S HN 0.618 nan 8.310 nan 0.000 0.478 533 T N 1.631 116.168 114.554 -0.029 0.000 3.107 533 T HA 0.303 4.653 4.350 0.000 0.000 0.249 533 T C 0.987 175.664 174.700 -0.037 0.000 1.096 533 T CA 0.163 62.244 62.100 -0.032 0.000 1.012 533 T CB -0.078 68.769 68.868 -0.034 0.000 0.977 533 T HN 0.535 nan 8.240 nan 0.000 0.527 534 G N 0.799 109.574 108.800 -0.042 0.000 2.516 534 G HA2 0.433 4.393 3.960 0.000 0.000 0.276 534 G HA3 0.433 4.393 3.960 0.000 0.000 0.276 534 G C 0.375 175.248 174.900 -0.046 0.000 1.390 534 G CA -0.694 44.378 45.100 -0.047 0.000 1.050 534 G HN 0.350 nan 8.290 nan 0.000 0.519 535 K N -0.930 119.440 120.400 -0.050 0.000 2.481 535 K HA 0.138 4.458 4.320 0.000 0.000 0.210 535 K C 0.057 176.620 176.600 -0.063 0.000 1.161 535 K CA -0.351 55.904 56.287 -0.054 0.000 1.023 535 K CB 0.455 32.926 32.500 -0.049 0.000 0.971 535 K HN 0.268 nan 8.250 nan 0.000 0.577 536 N N 1.661 120.324 118.700 -0.062 0.000 2.379 536 N HA 0.179 4.919 4.740 0.000 0.000 0.260 536 N C -2.774 172.690 175.510 -0.076 0.000 1.254 536 N CA -1.713 51.295 53.050 -0.068 0.000 0.958 536 N CB 0.337 38.788 38.487 -0.061 0.000 1.208 536 N HN -0.192 nan 8.380 nan 0.000 0.532 537 P HA 0.040 nan 4.420 nan 0.000 0.268 537 P C 0.289 177.547 177.300 -0.071 0.000 1.205 537 P CA -0.030 63.012 63.100 -0.098 0.000 0.771 537 P CB 0.549 32.184 31.700 -0.109 0.000 0.858 538 S N 3.274 118.940 115.700 -0.055 0.000 2.359 538 S HA -0.101 4.369 4.470 0.000 0.000 0.224 538 S C 0.776 175.361 174.600 -0.026 0.000 1.035 538 S CA 1.106 59.293 58.200 -0.022 0.000 1.018 538 S CB -0.731 62.492 63.200 0.038 0.000 0.876 538 S HN 0.381 nan 8.310 nan 0.000 0.448 539 I N 1.390 121.946 120.570 -0.024 0.000 2.389 539 I HA 0.464 4.634 4.170 0.000 0.000 0.288 539 I C -0.460 175.636 176.117 -0.036 0.000 0.999 539 I CA -0.303 60.991 61.300 -0.010 0.000 1.129 539 I CB 1.857 39.892 38.000 0.058 0.000 1.288 539 I HN 0.308 nan 8.210 nan 0.000 0.444 540 E N 7.836 128.011 120.200 -0.043 0.000 2.283 540 E HA 0.526 4.876 4.350 0.000 0.000 0.258 540 E C -1.624 174.941 176.600 -0.059 0.000 0.893 540 E CA -0.499 55.871 56.400 -0.049 0.000 0.798 540 E CB 1.644 31.310 29.700 -0.056 0.000 1.242 540 E HN 0.528 nan 8.360 nan 0.000 0.414 541 I N 4.216 124.769 120.570 -0.028 0.000 2.406 541 I HA 0.438 4.608 4.170 0.000 0.000 0.290 541 I C -0.374 175.774 176.117 0.052 0.000 0.999 541 I CA -0.619 60.642 61.300 -0.065 0.000 1.124 541 I CB 1.679 39.675 38.000 -0.008 0.000 1.289 541 I HN 0.265 nan 8.210 nan 0.000 0.441 542 K N 4.186 124.656 120.400 0.116 0.000 2.553 542 K HA 0.607 4.928 4.320 0.000 0.000 0.250 542 K C -0.689 176.189 176.600 0.463 0.000 0.953 542 K CA -0.389 56.045 56.287 0.245 0.000 0.800 542 K CB 2.436 35.023 32.500 0.145 0.000 1.243 542 K HN 0.791 nan 8.250 nan 0.000 0.435 543 G N 1.077 110.092 108.800 0.359 0.000 3.341 543 G HA2 0.280 4.240 3.960 0.000 0.000 0.177 543 G HA3 0.280 4.240 3.960 0.000 0.000 0.177 543 G C -1.017 173.965 174.900 0.138 0.000 1.236 543 G CA 0.059 45.269 45.100 0.184 0.000 0.888 543 G HN 0.521 nan 8.290 nan 0.000 0.644 544 D N -1.241 119.212 120.400 0.089 0.000 2.752 544 D HA 0.284 4.924 4.640 0.000 0.000 0.242 544 D C 0.807 177.144 176.300 0.061 0.000 1.295 544 D CA -0.309 53.741 54.000 0.082 0.000 0.846 544 D CB 0.799 41.656 40.800 0.095 0.000 1.454 544 D HN 0.097 nan 8.370 nan 0.000 0.535 545 T N -0.000 114.650 114.554 0.161 0.000 2.867 545 T HA -0.055 4.295 4.350 0.000 0.000 0.268 545 T C 1.945 176.759 174.700 0.190 0.000 1.057 545 T CA 1.381 63.662 62.100 0.303 0.000 1.136 545 T CB 0.196 69.229 68.868 0.275 0.000 0.874 545 T HN 0.466 nan 8.240 nan 0.000 0.466 546 A N 2.202 125.071 122.820 0.082 0.000 1.927 546 A HA -0.182 4.138 4.320 0.000 0.000 0.220 546 A C 1.636 179.186 177.584 -0.058 0.000 1.185 546 A CA 1.928 53.982 52.037 0.028 0.000 0.639 546 A CB -0.630 18.385 19.000 0.025 0.000 0.820 546 A HN 0.659 nan 8.150 nan 0.000 0.451 547 N N -0.999 117.582 118.700 -0.198 0.000 2.380 547 N HA 0.258 4.998 4.740 0.000 0.000 0.255 547 N C -0.088 175.134 175.510 -0.479 0.000 1.158 547 N CA -0.046 52.688 53.050 -0.528 0.000 0.878 547 N CB 0.440 38.128 38.487 -1.332 0.000 1.138 547 N HN 0.355 nan 8.380 nan 0.000 0.509 548 K N -0.867 119.389 120.400 -0.241 0.000 3.495 548 K HA -0.237 4.084 4.320 0.000 0.000 0.315 548 K C -0.310 175.771 176.600 -0.866 0.000 1.301 548 K CA 0.798 56.783 56.287 -0.504 0.000 0.985 548 K CB -1.238 30.977 32.500 -0.474 0.000 1.244 548 K HN 0.393 nan 8.250 nan 0.000 0.433 549 A N 1.166 123.716 122.820 -0.450 0.000 2.539 549 A HA 0.348 4.668 4.320 0.000 0.000 0.306 549 A C -0.260 177.204 177.584 -0.200 0.000 1.392 549 A CA -0.247 51.563 52.037 -0.379 0.000 1.060 549 A CB -0.721 18.162 19.000 -0.196 0.000 1.134 549 A HN 0.366 nan 8.150 nan 0.000 0.542 550 W N 1.626 122.826 121.300 -0.166 0.000 2.882 550 W HA 0.681 5.342 4.660 0.000 0.000 0.345 550 W C -0.584 175.809 176.519 -0.209 0.000 1.125 550 W CA -0.961 56.280 57.345 -0.174 0.000 1.167 550 W CB 0.572 30.009 29.460 -0.039 0.000 1.431 550 W HN 0.481 nan 8.180 nan 0.000 0.543 551 H N 2.048 121.342 119.070 0.374 0.000 2.482 551 H HA 0.617 5.173 4.556 0.001 0.000 0.344 551 H C 0.034 175.551 175.328 0.315 0.000 1.151 551 H CA -0.593 55.632 56.048 0.295 0.000 1.300 551 H CB 1.665 31.552 29.762 0.208 0.000 1.494 551 H HN 0.613 nan 8.280 nan 0.000 0.542 552 R N 0.575 121.310 120.500 0.392 0.000 2.764 552 R HA 0.356 4.696 4.340 0.000 0.000 0.270 552 R C -0.894 175.527 176.300 0.202 0.000 1.014 552 R CA -0.975 55.288 56.100 0.272 0.000 0.904 552 R CB 1.130 31.591 30.300 0.267 0.000 1.236 552 R HN 0.633 nan 8.270 nan 0.000 0.466 553 L N 0.120 121.387 121.223 0.073 0.000 3.548 553 L HA -0.152 4.188 4.340 0.000 0.000 0.443 553 L C -0.851 175.794 176.870 -0.376 0.000 1.286 553 L CA -0.029 54.766 54.840 -0.076 0.000 0.863 553 L CB -1.291 40.855 42.059 0.144 0.000 1.734 553 L HN 0.412 nan 8.230 nan 0.000 0.873 554 V N 0.802 120.523 119.914 -0.321 0.000 2.368 554 V HA 0.246 4.367 4.120 0.000 0.000 0.266 554 V C 0.629 176.406 176.094 -0.530 0.000 1.045 554 V CA -0.332 61.769 62.300 -0.332 0.000 0.899 554 V CB 0.931 32.677 31.823 -0.129 0.000 1.006 554 V HN 0.178 nan 8.190 nan 0.000 0.470 555 H N 4.243 123.277 119.070 -0.060 0.000 2.623 555 H HA 0.473 5.030 4.556 0.000 0.000 0.299 555 H C -0.654 174.624 175.328 -0.082 0.000 1.052 555 H CA -0.529 55.456 56.048 -0.104 0.000 1.231 555 H CB 1.582 31.328 29.762 -0.026 0.000 1.389 555 H HN 0.363 nan 8.280 nan 0.000 0.469 556 V N 4.781 124.648 119.914 -0.080 0.000 2.357 556 V HA 0.221 4.342 4.120 0.000 0.000 0.284 556 V C 0.066 176.229 176.094 0.115 0.000 1.018 556 V CA -0.696 61.638 62.300 0.056 0.000 0.841 556 V CB 1.309 33.239 31.823 0.177 0.000 0.991 556 V HN 0.736 nan 8.190 nan 0.000 0.437 557 N N 3.896 122.670 118.700 0.122 0.000 2.310 557 N HA 0.298 5.038 4.740 0.000 0.000 0.292 557 N C -0.404 175.164 175.510 0.096 0.000 1.049 557 N CA -0.521 52.593 53.050 0.105 0.000 0.849 557 N CB 1.775 40.306 38.487 0.073 0.000 1.532 557 N HN 0.735 nan 8.380 nan 0.000 0.479 558 N N 1.025 119.783 118.700 0.097 0.000 2.648 558 N HA -0.178 4.562 4.740 0.000 0.000 0.265 558 N C -1.931 173.611 175.510 0.053 0.000 1.100 558 N CA 0.467 53.561 53.050 0.072 0.000 0.715 558 N CB -0.888 37.634 38.487 0.059 0.000 0.881 558 N HN 0.238 nan 8.380 nan 0.000 0.548 559 V N 1.503 121.449 119.914 0.054 0.000 2.656 559 V HA 0.546 4.666 4.120 0.000 0.000 0.307 559 V C -0.070 175.998 176.094 -0.045 0.000 1.051 559 V CA -0.633 61.676 62.300 0.015 0.000 0.893 559 V CB 2.068 33.920 31.823 0.049 0.000 0.999 559 V HN 0.343 nan 8.190 nan 0.000 0.426 560 Q N 3.989 123.744 119.800 -0.074 0.000 2.330 560 Q HA 0.712 5.052 4.340 0.000 0.000 0.269 560 Q C -1.311 174.740 176.000 0.085 0.000 1.022 560 Q CA -0.143 55.627 55.803 -0.055 0.000 0.796 560 Q CB 2.410 31.047 28.738 -0.169 0.000 1.271 560 Q HN 0.640 nan 8.270 nan 0.000 0.450 561 L N 2.509 123.746 121.223 0.023 0.000 2.342 561 L HA 0.534 4.874 4.340 0.000 0.000 0.276 561 L C -0.757 176.180 176.870 0.111 0.000 0.997 561 L CA -0.790 54.071 54.840 0.035 0.000 0.838 561 L CB 1.543 43.438 42.059 -0.273 0.000 1.224 561 L HN 0.547 nan 8.230 nan 0.000 0.416 562 N N 2.918 121.683 118.700 0.108 0.000 2.400 562 N HA 0.316 5.057 4.740 0.000 0.000 0.288 562 N C 0.040 175.517 175.510 -0.055 0.000 1.024 562 N CA -0.157 52.846 53.050 -0.077 0.000 0.894 562 N CB 0.781 38.986 38.487 -0.471 0.000 1.173 562 N HN 0.458 nan 8.380 nan 0.000 0.487 563 N N 0.944 119.627 118.700 -0.028 0.000 2.756 563 N HA -0.148 4.593 4.740 0.000 0.000 0.248 563 N C -1.197 174.314 175.510 0.001 0.000 1.062 563 N CA 1.077 54.113 53.050 -0.023 0.000 0.696 563 N CB -1.086 37.369 38.487 -0.053 0.000 0.946 563 N HN 0.421 nan 8.380 nan 0.000 0.548 564 V N -2.851 117.083 119.914 0.033 0.000 3.046 564 V HA 0.826 4.946 4.120 0.000 0.000 0.316 564 V C 1.006 177.113 176.094 0.021 0.000 1.104 564 V CA -0.209 62.112 62.300 0.035 0.000 1.006 564 V CB 1.881 33.742 31.823 0.064 0.000 1.058 564 V HN 0.275 nan 8.190 nan 0.000 0.440 565 T N 0.483 115.029 114.554 -0.013 0.000 2.860 565 T HA 0.540 4.890 4.350 0.000 0.000 0.299 565 T C -2.429 172.220 174.700 -0.086 0.000 1.045 565 T CA -1.227 60.839 62.100 -0.056 0.000 1.071 565 T CB 0.691 69.514 68.868 -0.075 0.000 0.985 565 T HN 0.746 nan 8.240 nan 0.000 0.537 566 P HA 0.155 nan 4.420 nan 0.000 0.269 566 P C 0.416 177.578 177.300 -0.231 0.000 1.217 566 P CA -0.282 62.668 63.100 -0.251 0.000 0.783 566 P CB 0.103 31.688 31.700 -0.191 0.000 0.898 567 T N -1.717 112.668 114.554 -0.281 0.000 2.828 567 T HA 0.576 4.927 4.350 0.000 0.000 0.290 567 T C -0.224 174.360 174.700 -0.194 0.000 1.019 567 T CA -0.638 61.328 62.100 -0.224 0.000 1.031 567 T CB 0.411 69.092 68.868 -0.312 0.000 1.001 567 T HN 0.427 nan 8.240 nan 0.000 0.531 568 A N 2.141 124.868 122.820 -0.156 0.000 2.499 568 A HA 0.657 4.977 4.320 0.000 0.000 0.280 568 A C -0.602 176.938 177.584 -0.074 0.000 1.135 568 A CA -0.860 51.103 52.037 -0.123 0.000 0.744 568 A CB 0.447 19.380 19.000 -0.112 0.000 1.213 568 A HN 0.845 nan 8.150 nan 0.000 0.434 569 I N 2.970 123.492 120.570 -0.079 0.000 2.448 569 I HA 0.405 4.576 4.170 0.000 0.000 0.281 569 I C 0.221 176.430 176.117 0.153 0.000 1.027 569 I CA -0.234 61.088 61.300 0.036 0.000 1.111 569 I CB 1.972 39.978 38.000 0.010 0.000 1.236 569 I HN 0.625 nan 8.210 nan 0.000 0.452 570 S N 3.590 119.390 115.700 0.166 0.000 2.542 570 S HA 0.562 5.032 4.470 0.000 0.000 0.293 570 S C -0.610 174.141 174.600 0.250 0.000 1.089 570 S CA -0.610 57.708 58.200 0.197 0.000 0.961 570 S CB 1.966 65.253 63.200 0.146 0.000 1.062 570 S HN 0.647 nan 8.310 nan 0.000 0.483 571 D N 0.205 120.740 120.400 0.225 0.000 2.778 571 D HA -0.123 4.517 4.640 0.000 0.000 0.246 571 D C -0.968 175.525 176.300 0.321 0.000 1.107 571 D CA 0.736 54.888 54.000 0.253 0.000 0.732 571 D CB -1.362 39.609 40.800 0.285 0.000 1.055 571 D HN 0.583 nan 8.370 nan 0.000 0.429 572 L N 0.075 121.437 121.223 0.232 0.000 2.386 572 L HA 0.600 4.940 4.340 0.000 0.000 0.271 572 L C -0.512 176.411 176.870 0.088 0.000 0.993 572 L CA -0.376 54.609 54.840 0.241 0.000 0.819 572 L CB 1.638 43.880 42.059 0.304 0.000 1.294 572 L HN 0.057 nan 8.230 nan 0.000 0.414 573 R N 2.834 123.380 120.500 0.076 0.000 2.837 573 R HA 0.473 4.813 4.340 0.000 0.000 0.271 573 R C -1.061 175.248 176.300 0.015 0.000 0.993 573 R CA -0.748 55.336 56.100 -0.028 0.000 0.931 573 R CB 1.509 31.722 30.300 -0.145 0.000 1.206 573 R HN 0.769 nan 8.270 nan 0.000 0.474 574 D N 0.042 120.429 120.400 -0.021 0.000 2.751 574 D HA -0.145 4.495 4.640 0.000 0.000 0.233 574 D C -0.887 175.403 176.300 -0.016 0.000 1.149 574 D CA 1.146 55.143 54.000 -0.005 0.000 0.682 574 D CB -1.123 39.692 40.800 0.026 0.000 1.068 574 D HN 0.380 nan 8.370 nan 0.000 0.429 575 S N 0.250 115.920 115.700 -0.050 0.000 2.532 575 S HA 0.557 5.027 4.470 0.000 0.000 0.301 575 S C -0.086 174.396 174.600 -0.197 0.000 1.083 575 S CA -1.001 57.109 58.200 -0.149 0.000 1.025 575 S CB 2.959 66.076 63.200 -0.140 0.000 1.056 575 S HN 0.285 nan 8.310 nan 0.000 0.494 576 E N 1.113 121.119 120.200 -0.323 0.000 2.293 576 E HA 0.449 4.800 4.350 0.000 0.000 0.270 576 E C -1.809 174.505 176.600 -0.478 0.000 0.879 576 E CA -0.791 55.448 56.400 -0.267 0.000 0.756 576 E CB 1.003 30.659 29.700 -0.073 0.000 1.208 576 E HN 0.444 nan 8.360 nan 0.000 0.428 577 F N 2.017 121.964 119.950 -0.004 0.000 2.443 577 F HA 0.364 4.891 4.527 0.000 0.000 0.369 577 F C -0.296 175.543 175.800 0.064 0.000 1.090 577 F CA -0.844 57.191 58.000 0.058 0.000 1.129 577 F CB 1.105 40.096 39.000 -0.015 0.000 1.367 577 F HN 0.147 nan 8.300 nan 0.000 0.465 578 N N 3.357 122.181 118.700 0.207 0.000 2.408 578 N HA 0.315 5.055 4.740 0.000 0.000 0.280 578 N C -0.273 175.345 175.510 0.180 0.000 1.002 578 N CA -0.839 52.308 53.050 0.162 0.000 0.907 578 N CB 1.588 40.130 38.487 0.093 0.000 1.161 578 N HN 0.425 nan 8.380 nan 0.000 0.488 579 K N -0.818 119.691 120.400 0.182 0.000 3.150 579 K HA -0.125 4.195 4.320 0.000 0.000 0.267 579 K C -0.959 175.749 176.600 0.181 0.000 1.028 579 K CA 0.259 56.644 56.287 0.163 0.000 0.753 579 K CB -1.658 30.909 32.500 0.112 0.000 1.288 579 K HN 0.244 nan 8.250 nan 0.000 0.473 580 V N 1.501 121.581 119.914 0.277 0.000 2.348 580 V HA 0.161 4.281 4.120 0.000 0.000 0.270 580 V C 0.555 176.742 176.094 0.155 0.000 1.037 580 V CA -0.299 62.132 62.300 0.217 0.000 0.872 580 V CB 1.552 33.648 31.823 0.455 0.000 1.002 580 V HN 0.247 nan 8.190 nan 0.000 0.464 581 T N 6.203 120.755 114.554 -0.003 0.000 2.756 581 T HA 0.566 4.917 4.350 0.000 0.000 0.290 581 T C -0.493 174.168 174.700 -0.064 0.000 0.985 581 T CA -0.073 62.067 62.100 0.066 0.000 0.955 581 T CB 0.219 69.151 68.868 0.107 0.000 0.930 581 T HN 0.287 nan 8.240 nan 0.000 0.451 582 F N 3.126 123.111 119.950 0.057 0.000 2.391 582 F HA 0.448 4.975 4.527 0.000 0.000 0.359 582 F C 1.324 177.145 175.800 0.034 0.000 1.122 582 F CA -0.888 57.119 58.000 0.012 0.000 1.120 582 F CB 0.902 39.846 39.000 -0.093 0.000 1.142 582 F HN 0.451 nan 8.300 nan 0.000 0.483 583 T N -0.679 113.987 114.554 0.186 0.000 2.932 583 T HA 0.360 4.710 4.350 0.000 0.000 0.289 583 T C -0.029 174.712 174.700 0.068 0.000 1.039 583 T CA -0.934 61.235 62.100 0.115 0.000 1.024 583 T CB 1.671 70.594 68.868 0.092 0.000 1.090 583 T HN 0.548 nan 8.240 nan 0.000 0.496 584 E N -0.300 119.921 120.200 0.034 0.000 2.365 584 E HA -0.199 4.151 4.350 0.000 0.000 0.237 584 E C -0.026 176.585 176.600 0.019 0.000 1.238 584 E CA 0.099 56.504 56.400 0.008 0.000 0.718 584 E CB -1.550 28.134 29.700 -0.026 0.000 1.218 584 E HN 0.712 nan 8.360 nan 0.000 0.387 585 L N 0.648 121.894 121.223 0.039 0.000 2.525 585 L HA -0.057 4.284 4.340 0.000 0.000 0.278 585 L C 0.980 177.842 176.870 -0.013 0.000 1.218 585 L CA 0.853 55.707 54.840 0.023 0.000 0.878 585 L CB 0.411 42.456 42.059 -0.024 0.000 1.127 585 L HN 0.032 nan 8.230 nan 0.000 0.492 586 R N 4.764 125.250 120.500 -0.022 0.000 4.071 586 R HA 0.471 4.812 4.340 0.000 0.000 0.220 586 R C -0.141 176.128 176.300 -0.051 0.000 1.614 586 R CA 0.316 56.396 56.100 -0.034 0.000 1.505 586 R CB -0.281 30.000 30.300 -0.032 0.000 1.384 586 R HN 0.942 nan 8.270 nan 0.000 0.758 587 G N -0.226 108.544 108.800 -0.050 0.000 2.321 587 G HA2 -0.073 3.888 3.960 0.000 0.000 0.298 587 G HA3 -0.073 3.888 3.960 0.000 0.000 0.298 587 G C -0.481 174.391 174.900 -0.047 0.000 1.385 587 G CA -0.688 44.380 45.100 -0.054 0.000 0.856 587 G HN 0.176 nan 8.290 nan 0.000 0.584 588 D N -0.517 119.864 120.400 -0.031 0.000 2.216 588 D HA 0.087 4.728 4.640 0.000 0.000 0.208 588 D C 1.240 177.505 176.300 -0.057 0.000 0.960 588 D CA 1.942 55.923 54.000 -0.031 0.000 0.861 588 D CB 0.493 41.285 40.800 -0.013 0.000 0.985 588 D HN 0.671 nan 8.370 nan 0.000 0.493 589 T N -1.392 113.120 114.554 -0.071 0.000 2.886 589 T HA 0.315 4.665 4.350 0.000 0.000 0.292 589 T C -2.289 172.238 174.700 -0.288 0.000 1.012 589 T CA -1.642 60.359 62.100 -0.165 0.000 0.982 589 T CB 3.141 71.894 68.868 -0.192 0.000 1.018 589 T HN -0.289 nan 8.240 nan 0.000 0.451 590 P HA 0.028 nan 4.420 nan 0.000 0.217 590 P C -0.221 176.502 177.300 -0.961 0.000 1.151 590 P CA 0.632 63.041 63.100 -1.152 0.000 0.828 590 P CB 0.088 30.481 31.700 -2.179 0.000 0.788 591 W N 0.555 121.562 121.300 -0.489 0.000 2.331 591 W HA 0.313 4.973 4.660 0.000 0.000 0.306 591 W C 0.001 176.127 176.519 -0.656 0.000 1.162 591 W CA -0.468 56.588 57.345 -0.482 0.000 1.232 591 W CB 0.390 29.719 29.460 -0.218 0.000 1.235 591 W HN 0.053 nan 8.180 nan 0.000 0.479 592 H N 3.037 121.900 119.070 -0.344 0.000 2.970 592 H HA 0.357 4.913 4.556 0.000 0.000 0.315 592 H C -1.244 173.836 175.328 -0.414 0.000 0.992 592 H CA -0.695 55.192 56.048 -0.269 0.000 1.363 592 H CB 0.662 30.303 29.762 -0.202 0.000 1.532 592 H HN 0.258 nan 8.280 nan 0.000 0.514 593 F N 2.104 122.116 119.950 0.104 0.000 2.477 593 F HA 0.463 4.990 4.527 0.000 0.000 0.335 593 F C -0.005 175.826 175.800 0.052 0.000 1.130 593 F CA -0.742 57.297 58.000 0.066 0.000 0.948 593 F CB 1.744 40.755 39.000 0.018 0.000 1.154 593 F HN 0.423 nan 8.300 nan 0.000 0.439 594 S N 1.925 117.768 115.700 0.238 0.000 2.542 594 S HA 0.536 5.006 4.470 0.000 0.000 0.293 594 S C -0.511 174.169 174.600 0.135 0.000 1.089 594 S CA -0.693 57.598 58.200 0.152 0.000 0.961 594 S CB 2.013 65.276 63.200 0.105 0.000 1.062 594 S HN 0.662 nan 8.310 nan 0.000 0.483 595 E N -0.832 119.415 120.200 0.079 0.000 2.442 595 E HA -0.129 4.221 4.350 0.000 0.000 0.256 595 E C -0.059 176.549 176.600 0.014 0.000 1.095 595 E CA 0.953 57.377 56.400 0.040 0.000 0.747 595 E CB -2.491 27.245 29.700 0.061 0.000 1.310 595 E HN 1.077 nan 8.360 nan 0.000 0.396 596 V N -2.558 117.358 119.914 0.003 0.000 2.732 596 V HA 0.778 4.898 4.120 0.000 0.000 0.310 596 V C 0.179 176.204 176.094 -0.115 0.000 1.053 596 V CA -0.762 61.517 62.300 -0.036 0.000 0.957 596 V CB 2.775 34.586 31.823 -0.020 0.000 1.018 596 V HN 0.197 nan 8.190 nan 0.000 0.452 597 K N 2.717 123.027 120.400 -0.149 0.000 2.601 597 K HA 0.436 4.756 4.320 0.000 0.000 0.249 597 K C -0.453 176.068 176.600 -0.132 0.000 0.966 597 K CA -0.537 55.653 56.287 -0.161 0.000 0.827 597 K CB 0.796 33.162 32.500 -0.224 0.000 1.178 597 K HN 1.010 nan 8.250 nan 0.000 0.437 598 N N 1.806 120.435 118.700 -0.118 0.000 2.825 598 N HA -0.162 4.579 4.740 0.000 0.000 0.253 598 N C -1.958 173.495 175.510 -0.096 0.000 1.097 598 N CA 0.937 53.929 53.050 -0.097 0.000 0.673 598 N CB -0.746 37.696 38.487 -0.075 0.000 0.923 598 N HN 0.325 nan 8.380 nan 0.000 0.561 599 V N 0.411 120.241 119.914 -0.140 0.000 3.147 599 V HA 0.766 4.887 4.120 0.000 0.000 0.299 599 V C -1.265 174.676 176.094 -0.255 0.000 1.302 599 V CA -0.404 61.801 62.300 -0.158 0.000 1.015 599 V CB 1.948 33.700 31.823 -0.118 0.000 1.086 599 V HN 0.435 nan 8.190 nan 0.000 0.437 600 K N 3.811 124.067 120.400 -0.241 0.000 2.436 600 K HA -0.056 4.264 4.320 0.000 0.000 0.897 600 K C -0.500 176.064 176.600 -0.060 0.000 0.898 600 K CA 0.429 56.639 56.287 -0.128 0.000 0.997 600 K CB -1.090 31.362 32.500 -0.081 0.000 2.912 600 K HN 1.193 nan 8.250 nan 0.000 0.261 601 V N 2.220 122.030 119.914 -0.172 0.000 2.864 601 V HA -0.155 3.966 4.120 0.000 0.000 0.275 601 V C 1.076 177.127 176.094 -0.072 0.000 0.972 601 V CA 1.123 63.316 62.300 -0.178 0.000 1.176 601 V CB -0.475 31.089 31.823 -0.431 0.000 0.838 601 V HN 0.863 nan 8.190 nan 0.000 0.454 602 D N 2.190 122.589 120.400 -0.002 0.000 2.947 602 D HA -0.125 4.515 4.640 0.000 0.000 0.224 602 D C 0.699 177.006 176.300 0.012 0.000 1.132 602 D CA 1.438 55.454 54.000 0.027 0.000 0.801 602 D CB -0.842 39.990 40.800 0.054 0.000 1.097 602 D HN 0.970 nan 8.370 nan 0.000 0.431 603 G N 0.711 109.509 108.800 -0.004 0.000 2.347 603 G HA2 0.521 4.481 3.960 0.000 0.000 0.314 603 G HA3 0.521 4.481 3.960 0.000 0.000 0.314 603 G C -0.038 174.837 174.900 -0.042 0.000 1.126 603 G CA -0.249 44.836 45.100 -0.025 0.000 0.929 603 G HN -0.061 nan 8.290 nan 0.000 0.441 604 K N 3.195 123.554 120.400 -0.067 0.000 2.739 604 K HA 0.252 4.572 4.320 0.000 0.000 0.288 604 K C -2.876 173.667 176.600 -0.095 0.000 1.142 604 K CA -0.726 55.521 56.287 -0.066 0.000 1.060 604 K CB 3.033 35.510 32.500 -0.039 0.000 1.338 604 K HN 0.501 nan 8.250 nan 0.000 0.514 605 P HA 0.718 nan 4.420 nan 0.000 0.296 605 P C -0.848 176.353 177.300 -0.165 0.000 1.297 605 P CA -0.808 62.214 63.100 -0.130 0.000 0.947 605 P CB 2.023 33.669 31.700 -0.091 0.000 1.366 606 V N 0.000 119.796 119.914 -0.196 0.000 2.409 606 V HA 0.000 4.120 4.120 0.000 0.000 0.244 606 V CA 0.000 62.196 62.300 -0.173 0.000 1.235 606 V CB 0.000 31.705 31.823 -0.197 0.000 1.184 606 V HN 0.000 nan 8.190 nan 0.000 0.556