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 2zid_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQKHWWHKAT VYQIYPKSFM DTNGDGIGDL KGITSKLDYL QKLGVMAIWL DATA SEQUENCE SPVYDSPMDD NGYDIANYEA IADIFGNMAD MDNLLTQAKM RGIKIIMDLV DATA SEQUENCE VNHTSDEHAW FIEAREHPDS SERDYYIWCD QPNDLESIFG GSAWQYDDKS DATA SEQUENCE DQYYLHFFSK KQPDLNWENA NLRQKIYDMM NFWIDKGIGG FRMDVIDMIG DATA SEQUENCE KIPAQHIVSN GPKLHAYLKE MNAASFGQHD LLTVGQTWGA TPEIAKQYSN DATA SEQUENCE PVNHELSMVF QFEHIGLQHK PEAPKWDYVK ELNVPALKTI FNKWQTELEL DATA SEQUENCE GQGWNSLFWN NHDLPRVLSI WGNTGKYREK SAKALAILLH LMRGTPYIYQ DATA SEQUENCE GEEIGMTNYP FKDLNELDDI ESLNYAKEAF TNGKSMETIM DSIRMIGRDN DATA SEQUENCE ARTPMQWDAS QNAGFSTADK TWLPVNPNYK DINVQAALKN SNSIFYTYQQ DATA SEQUENCE LIQLRKENDW LVDADFELLP TADKVFAYLR KVREERYLIV VNVSDQEEVL DATA SEQUENCE EIDVDKQETL ISNTNESAAL ANHKLQPWDA FCIKIL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.175 176.300 -0.208 0.000 1.140 1 M CA 0.000 55.226 55.300 -0.124 0.000 0.988 1 M CB 0.000 32.514 32.600 -0.143 0.000 1.302 2 Q N 4.707 124.392 119.800 -0.192 0.000 2.271 2 Q HA 0.192 3.755 4.340 -1.294 0.000 0.273 2 Q C -1.043 174.680 176.000 -0.460 0.000 1.051 2 Q CA 0.142 55.783 55.803 -0.269 0.000 0.901 2 Q CB 0.808 29.427 28.738 -0.198 0.000 1.174 2 Q HN 0.443 nan 8.270 nan 0.000 0.385 3 K N 3.746 123.842 120.400 -0.507 0.000 2.143 3 K HA 0.360 3.904 4.320 -1.294 0.000 0.272 3 K C -0.420 175.839 176.600 -0.567 0.000 1.001 3 K CA -0.448 55.481 56.287 -0.597 0.000 0.915 3 K CB 1.111 33.352 32.500 -0.432 0.000 1.047 3 K HN 0.631 nan 8.250 nan 0.000 0.458 4 H N 1.071 119.943 119.070 -0.329 0.000 2.797 4 H HA 0.147 3.927 4.556 -1.294 0.000 0.362 4 H C 1.182 176.149 175.328 -0.602 0.000 1.183 4 H CA -0.635 55.072 56.048 -0.569 0.000 1.197 4 H CB 1.158 30.240 29.762 -1.134 0.000 1.835 4 H HN 0.764 nan 8.280 nan 0.000 0.567 5 W N 1.648 122.840 121.300 -0.179 0.000 2.321 5 W HA -0.163 3.721 4.660 -1.293 0.000 0.306 5 W C 1.338 177.798 176.519 -0.098 0.000 1.217 5 W CA 1.086 58.374 57.345 -0.094 0.000 1.257 5 W CB -1.083 28.387 29.460 0.016 0.000 1.145 5 W HN 0.696 nan 8.180 nan 0.000 0.509 6 W N 1.180 121.754 121.300 -1.210 0.000 2.699 6 W HA -0.028 3.855 4.660 -1.294 0.000 0.249 6 W C 1.179 177.322 176.519 -0.628 0.000 1.280 6 W CA 0.906 57.545 57.345 -1.176 0.000 1.345 6 W CB -1.998 26.424 29.460 -1.730 0.000 1.128 6 W HN 0.097 nan 8.180 nan 0.000 0.642 7 H N 1.292 119.918 119.070 -0.740 0.000 2.521 7 H HA 0.011 3.791 4.556 -1.294 0.000 0.286 7 H C 1.456 176.687 175.328 -0.162 0.000 1.034 7 H CA 1.634 57.328 56.048 -0.589 0.000 1.278 7 H CB 0.165 29.422 29.762 -0.842 0.000 1.386 7 H HN 0.089 nan 8.280 nan 0.000 0.567 8 K N -0.152 120.239 120.400 -0.015 0.000 2.387 8 K HA 0.345 3.889 4.320 -1.294 0.000 0.203 8 K C -0.048 176.593 176.600 0.068 0.000 1.030 8 K CA -0.171 56.136 56.287 0.035 0.000 1.099 8 K CB 1.408 33.919 32.500 0.018 0.000 0.863 8 K HN 0.070 nan 8.250 nan 0.000 0.529 9 A N 1.101 123.971 122.820 0.083 0.000 2.293 9 A HA 0.469 4.013 4.320 -1.294 0.000 0.302 9 A C -0.205 177.413 177.584 0.058 0.000 1.119 9 A CA -0.060 52.046 52.037 0.116 0.000 0.823 9 A CB 0.712 19.827 19.000 0.193 0.000 1.097 9 A HN 0.035 nan 8.150 nan 0.000 0.491 10 T N 1.288 115.876 114.554 0.058 0.000 2.812 10 T HA 0.507 4.081 4.350 -1.294 0.000 0.282 10 T C -0.468 174.234 174.700 0.003 0.000 0.990 10 T CA -0.298 61.810 62.100 0.014 0.000 0.960 10 T CB 1.231 70.164 68.868 0.108 0.000 0.948 10 T HN 0.448 nan 8.240 nan 0.000 0.438 11 V N 3.483 123.300 119.914 -0.161 0.000 2.539 11 V HA 0.430 3.774 4.120 -1.294 0.000 0.292 11 V C -0.899 175.279 176.094 0.139 0.000 1.045 11 V CA -0.885 61.367 62.300 -0.081 0.000 0.945 11 V CB 1.214 32.797 31.823 -0.401 0.000 0.993 11 V HN 0.838 nan 8.190 nan 0.000 0.464 12 Y N 3.327 123.684 120.300 0.096 0.000 2.328 12 Y HA 0.426 4.206 4.550 -1.283 0.000 0.337 12 Y C 0.162 176.134 175.900 0.120 0.000 0.966 12 Y CA -0.284 57.878 58.100 0.103 0.000 1.136 12 Y CB 1.382 39.868 38.460 0.044 0.000 1.170 12 Y HN 0.669 nan 8.280 nan 0.000 0.470 13 Q N 6.634 126.366 119.800 -0.112 0.000 2.274 13 Q HA 0.474 4.037 4.340 -1.294 0.000 0.256 13 Q C -1.395 174.392 176.000 -0.356 0.000 0.927 13 Q CA -0.458 55.238 55.803 -0.178 0.000 0.939 13 Q CB 0.859 29.448 28.738 -0.247 0.000 1.201 13 Q HN 0.791 nan 8.270 nan 0.000 0.426 14 I N 3.897 124.299 120.570 -0.279 0.000 2.404 14 I HA 0.167 3.561 4.170 -1.294 0.000 0.293 14 I C -1.142 174.861 176.117 -0.189 0.000 0.992 14 I CA -0.931 60.208 61.300 -0.269 0.000 1.149 14 I CB 1.236 38.997 38.000 -0.399 0.000 1.315 14 I HN 0.653 nan 8.210 nan 0.000 0.446 15 Y N 9.845 130.042 120.300 -0.172 0.000 2.595 15 Y HA 0.317 4.096 4.550 -1.285 0.000 0.336 15 Y C -1.608 174.310 175.900 0.031 0.000 0.996 15 Y CA -2.568 55.503 58.100 -0.048 0.000 1.260 15 Y CB 0.625 39.164 38.460 0.133 0.000 1.108 15 Y HN 0.405 nan 8.280 nan 0.000 0.509 16 P HA -0.333 nan 4.420 nan 0.000 0.219 16 P C 0.642 177.973 177.300 0.051 0.000 1.158 16 P CA 2.116 65.055 63.100 -0.269 0.000 0.895 16 P CB 0.418 31.603 31.700 -0.858 0.000 0.792 17 K N -0.635 119.746 120.400 -0.032 0.000 2.362 17 K HA 0.024 3.568 4.320 -1.294 0.000 0.200 17 K C 1.348 178.193 176.600 0.407 0.000 1.046 17 K CA 1.031 57.342 56.287 0.040 0.000 0.952 17 K CB -0.142 32.037 32.500 -0.534 0.000 0.753 17 K HN 0.152 nan 8.250 nan 0.000 0.466 18 S N -0.395 115.638 115.700 0.555 0.000 2.749 18 S HA 0.142 3.835 4.470 -1.294 0.000 0.246 18 S C 0.314 175.209 174.600 0.490 0.000 1.023 18 S CA -0.598 57.930 58.200 0.547 0.000 1.012 18 S CB 0.085 63.622 63.200 0.560 0.000 0.942 18 S HN 0.181 nan 8.310 nan 0.000 0.531 19 F N 1.933 122.175 119.950 0.488 0.000 2.202 19 F HA 0.591 4.340 4.527 -1.297 0.000 0.279 19 F C 0.320 176.587 175.800 0.779 0.000 1.077 19 F CA 0.474 58.775 58.000 0.502 0.000 1.193 19 F CB 0.279 39.485 39.000 0.344 0.000 1.090 19 F HN 0.209 nan 8.300 nan 0.000 0.516 20 M N 0.670 120.615 119.600 0.576 0.000 2.255 20 M HA 0.229 3.933 4.480 -1.294 0.000 0.275 20 M C -2.177 174.058 176.300 -0.108 0.000 1.050 20 M CA -0.660 54.726 55.300 0.143 0.000 0.978 20 M CB 1.105 33.629 32.600 -0.127 0.000 1.761 20 M HN 0.060 nan 8.290 nan 0.000 0.479 21 D N 1.835 121.898 120.400 -0.561 0.000 2.232 21 D HA 0.538 4.401 4.640 -1.294 0.000 0.242 21 D C 0.480 176.596 176.300 -0.307 0.000 1.093 21 D CA 0.121 53.840 54.000 -0.467 0.000 0.845 21 D CB 1.424 41.770 40.800 -0.757 0.000 1.124 21 D HN 0.719 nan 8.370 nan 0.000 0.467 22 T N 0.025 114.471 114.554 -0.181 0.000 3.044 22 T HA 0.083 3.657 4.350 -1.294 0.000 0.260 22 T C 0.632 175.266 174.700 -0.110 0.000 1.019 22 T CA -0.406 61.609 62.100 -0.141 0.000 0.921 22 T CB -0.187 68.620 68.868 -0.102 0.000 1.053 22 T HN 0.397 nan 8.240 nan 0.000 0.533 23 N N 0.745 119.381 118.700 -0.107 0.000 2.305 23 N HA 0.234 4.198 4.740 -1.294 0.000 0.248 23 N C 1.200 176.665 175.510 -0.075 0.000 1.290 23 N CA 0.051 53.054 53.050 -0.079 0.000 0.873 23 N CB 0.014 38.464 38.487 -0.062 0.000 1.261 23 N HN 0.429 nan 8.380 nan 0.000 0.504 24 G N 2.035 110.778 108.800 -0.095 0.000 2.258 24 G HA2 -0.331 2.853 3.960 -1.294 0.000 0.274 24 G HA3 -0.331 2.853 3.960 -1.294 0.000 0.274 24 G C 0.190 175.063 174.900 -0.045 0.000 1.021 24 G CA 0.777 45.833 45.100 -0.072 0.000 0.798 24 G HN 0.661 nan 8.290 nan 0.000 0.507 25 D N -1.071 119.301 120.400 -0.048 0.000 2.340 25 D HA 0.360 4.223 4.640 -1.294 0.000 0.217 25 D C 1.737 178.054 176.300 0.029 0.000 1.081 25 D CA 0.367 54.356 54.000 -0.018 0.000 0.842 25 D CB -0.497 40.280 40.800 -0.038 0.000 0.934 25 D HN 1.452 nan 8.370 nan 0.000 0.511 26 G N 0.348 109.170 108.800 0.037 0.000 2.148 26 G HA2 -0.254 2.930 3.960 -1.294 0.000 0.254 26 G HA3 -0.254 2.930 3.960 -1.294 0.000 0.254 26 G C 0.030 175.137 174.900 0.344 0.000 0.981 26 G CA 0.392 45.599 45.100 0.179 0.000 0.670 26 G HN 0.459 nan 8.290 nan 0.000 0.528 27 I N 0.509 121.168 120.570 0.148 0.000 2.582 27 I HA 0.559 3.953 4.170 -1.294 0.000 0.292 27 I C 1.050 177.228 176.117 0.102 0.000 1.066 27 I CA -0.745 60.650 61.300 0.159 0.000 1.053 27 I CB 1.998 39.940 38.000 -0.097 0.000 1.241 27 I HN 0.139 nan 8.210 nan 0.000 0.421 28 G N 3.284 112.279 108.800 0.325 0.000 2.614 28 G HA2 0.385 3.568 3.960 -1.294 0.000 0.239 28 G HA3 0.385 3.568 3.960 -1.294 0.000 0.239 28 G C -0.936 174.100 174.900 0.226 0.000 1.240 28 G CA 0.064 45.334 45.100 0.282 0.000 0.842 28 G HN 0.796 nan 8.290 nan 0.000 0.584 29 D N -0.661 119.848 120.400 0.183 0.000 2.626 29 D HA 0.285 4.148 4.640 -1.294 0.000 0.278 29 D C 1.174 177.548 176.300 0.122 0.000 1.211 29 D CA -0.962 53.156 54.000 0.196 0.000 0.903 29 D CB 0.851 41.707 40.800 0.093 0.000 1.408 29 D HN 0.188 nan 8.370 nan 0.000 0.454 30 L N -0.232 121.043 121.223 0.087 0.000 2.012 30 L HA -0.151 3.413 4.340 -1.294 0.000 0.210 30 L C 2.178 179.065 176.870 0.027 0.000 1.073 30 L CA 1.335 56.186 54.840 0.019 0.000 0.748 30 L CB -0.484 41.580 42.059 0.008 0.000 0.891 30 L HN 0.443 nan 8.230 nan 0.000 0.431 31 K N -0.115 120.299 120.400 0.024 0.000 2.103 31 K HA -0.143 3.401 4.320 -1.294 0.000 0.207 31 K C 2.121 178.723 176.600 0.004 0.000 1.048 31 K CA 1.268 57.558 56.287 0.005 0.000 0.930 31 K CB -0.485 32.008 32.500 -0.011 0.000 0.716 31 K HN 0.440 nan 8.250 nan 0.000 0.444 32 G N 1.460 110.273 108.800 0.022 0.000 2.422 32 G HA2 -0.215 2.969 3.960 -1.294 0.000 0.218 32 G HA3 -0.215 2.969 3.960 -1.294 0.000 0.218 32 G C 1.498 176.479 174.900 0.135 0.000 1.146 32 G CA 0.593 45.704 45.100 0.019 0.000 0.769 32 G HN 0.132 nan 8.290 nan 0.000 0.547 33 I N 0.695 121.397 120.570 0.220 0.000 2.142 33 I HA -0.168 3.226 4.170 -1.294 0.000 0.240 33 I C 2.987 179.194 176.117 0.149 0.000 1.078 33 I CA 1.522 62.985 61.300 0.271 0.000 1.343 33 I CB -0.699 37.318 38.000 0.028 0.000 1.046 33 I HN 0.075 nan 8.210 nan 0.000 0.405 34 T N 0.406 114.995 114.554 0.057 0.000 2.737 34 T HA -0.190 3.384 4.350 -1.294 0.000 0.269 34 T C 1.966 176.677 174.700 0.018 0.000 1.040 34 T CA 1.866 63.981 62.100 0.024 0.000 1.142 34 T CB -0.376 68.494 68.868 0.003 0.000 0.861 34 T HN 0.551 nan 8.240 nan 0.000 0.456 35 S N 0.469 116.167 115.700 -0.002 0.000 2.507 35 S HA 0.015 3.709 4.470 -1.294 0.000 0.235 35 S C 1.496 176.053 174.600 -0.072 0.000 0.988 35 S CA 0.564 58.731 58.200 -0.055 0.000 0.944 35 S CB -0.069 63.064 63.200 -0.112 0.000 0.762 35 S HN 0.224 nan 8.310 nan 0.000 0.526 36 K N 0.656 121.059 120.400 0.006 0.000 2.414 36 K HA 0.420 3.964 4.320 -1.294 0.000 0.204 36 K C 1.127 177.843 176.600 0.194 0.000 1.026 36 K CA -0.113 56.205 56.287 0.051 0.000 1.108 36 K CB -0.058 32.474 32.500 0.053 0.000 0.855 36 K HN 0.381 nan 8.250 nan 0.000 0.517 37 L N 0.632 121.921 121.223 0.110 0.000 2.131 37 L HA -0.192 3.372 4.340 -1.294 0.000 0.210 37 L C 1.453 178.366 176.870 0.072 0.000 1.092 37 L CA 1.124 56.010 54.840 0.075 0.000 0.759 37 L CB -0.190 41.887 42.059 0.030 0.000 0.903 37 L HN 0.078 nan 8.230 nan 0.000 0.435 38 D N -0.832 119.617 120.400 0.081 0.000 2.117 38 D HA -0.235 3.628 4.640 -1.294 0.000 0.197 38 D C 1.845 178.223 176.300 0.131 0.000 0.987 38 D CA 1.159 55.208 54.000 0.081 0.000 0.829 38 D CB -0.144 40.696 40.800 0.068 0.000 0.961 38 D HN 0.304 nan 8.370 nan 0.000 0.460 39 Y N 1.511 121.847 120.300 0.061 0.000 2.114 39 Y HA -0.158 3.614 4.550 -1.296 0.000 0.284 39 Y C 2.111 178.088 175.900 0.128 0.000 1.143 39 Y CA 1.408 59.578 58.100 0.116 0.000 1.135 39 Y CB -0.596 37.975 38.460 0.185 0.000 0.980 39 Y HN -0.083 nan 8.280 nan 0.000 0.499 40 L N 0.294 121.462 121.223 -0.091 0.000 2.131 40 L HA -0.237 3.326 4.340 -1.294 0.000 0.210 40 L C 2.671 179.438 176.870 -0.172 0.000 1.092 40 L CA 1.792 56.457 54.840 -0.292 0.000 0.759 40 L CB -0.660 41.266 42.059 -0.223 0.000 0.903 40 L HN 0.369 nan 8.230 nan 0.000 0.435 41 Q N 0.654 120.417 119.800 -0.062 0.000 2.119 41 Q HA -0.236 3.328 4.340 -1.294 0.000 0.201 41 Q C 2.282 178.279 176.000 -0.004 0.000 0.972 41 Q CA 1.409 57.199 55.803 -0.022 0.000 0.847 41 Q CB 0.121 28.864 28.738 0.009 0.000 0.903 41 Q HN 0.350 nan 8.270 nan 0.000 0.433 42 K N 0.371 120.783 120.400 0.019 0.000 2.057 42 K HA -0.131 3.413 4.320 -1.294 0.000 0.207 42 K C 2.159 178.807 176.600 0.080 0.000 1.049 42 K CA 0.886 57.231 56.287 0.097 0.000 0.931 42 K CB -0.186 32.422 32.500 0.179 0.000 0.714 42 K HN 0.300 nan 8.250 nan 0.000 0.440 43 L N -0.280 120.915 121.223 -0.047 0.000 2.042 43 L HA -0.166 3.398 4.340 -1.294 0.000 0.210 43 L C 1.225 178.019 176.870 -0.127 0.000 1.076 43 L CA 1.972 56.679 54.840 -0.221 0.000 0.749 43 L CB -0.315 41.535 42.059 -0.347 0.000 0.893 43 L HN 0.730 nan 8.230 nan 0.000 0.432 44 G N -0.879 107.881 108.800 -0.067 0.000 2.163 44 G HA2 -0.228 2.956 3.960 -1.294 0.000 0.213 44 G HA3 -0.228 2.955 3.960 -1.294 0.000 0.213 44 G C 0.251 175.156 174.900 0.008 0.000 0.991 44 G CA 0.153 45.245 45.100 -0.015 0.000 0.653 44 G HN 0.416 nan 8.290 nan 0.000 0.518 45 V N -1.308 118.603 119.914 -0.005 0.000 2.843 45 V HA 0.620 3.964 4.120 -1.294 0.000 0.305 45 V C 1.543 177.670 176.094 0.055 0.000 1.065 45 V CA 0.579 62.908 62.300 0.048 0.000 1.116 45 V CB 1.156 33.022 31.823 0.072 0.000 0.968 45 V HN 0.219 nan 8.190 nan 0.000 0.487 46 M N 2.921 122.585 119.600 0.105 0.000 2.441 46 M HA 0.522 4.226 4.480 -1.294 0.000 0.244 46 M C 0.515 176.900 176.300 0.142 0.000 1.122 46 M CA 0.857 56.236 55.300 0.132 0.000 1.041 46 M CB 0.577 33.317 32.600 0.233 0.000 1.438 46 M HN 0.975 nan 8.290 nan 0.000 0.484 47 A N 0.746 123.658 122.820 0.152 0.000 2.604 47 A HA 0.775 4.319 4.320 -1.294 0.000 0.295 47 A C -1.425 176.250 177.584 0.152 0.000 1.067 47 A CA -0.646 51.482 52.037 0.151 0.000 0.683 47 A CB 1.449 20.610 19.000 0.269 0.000 1.281 47 A HN 0.196 nan 8.150 nan 0.000 0.407 48 I N 1.344 121.996 120.570 0.135 0.000 2.418 48 I HA 0.277 3.671 4.170 -1.294 0.000 0.287 48 I C -0.982 175.274 176.117 0.232 0.000 1.008 48 I CA -0.288 61.113 61.300 0.169 0.000 1.104 48 I CB 1.631 39.668 38.000 0.062 0.000 1.264 48 I HN 0.794 nan 8.210 nan 0.000 0.438 49 W N 9.409 130.772 121.300 0.106 0.000 2.416 49 W HA 0.405 4.281 4.660 -1.306 0.000 0.318 49 W C -1.520 175.017 176.519 0.030 0.000 1.150 49 W CA -1.333 56.074 57.345 0.103 0.000 1.392 49 W CB 0.606 30.206 29.460 0.233 0.000 1.311 49 W HN 0.297 nan 8.180 nan 0.000 0.436 50 L N 6.565 127.937 121.223 0.249 0.000 2.260 50 L HA 0.370 3.934 4.340 -1.294 0.000 0.289 50 L C 0.495 177.335 176.870 -0.051 0.000 1.057 50 L CA 0.253 55.058 54.840 -0.058 0.000 0.811 50 L CB 0.848 42.817 42.059 -0.149 0.000 1.184 50 L HN 0.344 nan 8.230 nan 0.000 0.429 51 S N 5.904 121.447 115.700 -0.261 0.000 2.576 51 S HA 0.227 3.921 4.470 -1.294 0.000 0.272 51 S C -2.330 172.059 174.600 -0.352 0.000 1.352 51 S CA -0.561 57.515 58.200 -0.207 0.000 1.021 51 S CB 0.218 63.264 63.200 -0.258 0.000 0.887 51 S HN 0.583 nan 8.310 nan 0.000 0.542 52 P HA -0.071 nan 4.420 nan 0.000 0.259 52 P C 0.220 177.190 177.300 -0.550 0.000 1.155 52 P CA 0.497 63.362 63.100 -0.391 0.000 0.759 52 P CB 0.122 31.593 31.700 -0.381 0.000 0.753 53 V N 0.687 120.141 119.914 -0.767 0.000 3.252 53 V HA 0.272 3.616 4.120 -1.294 0.000 0.320 53 V C -0.120 175.846 176.094 -0.213 0.000 1.459 53 V CA -0.300 61.584 62.300 -0.695 0.000 1.095 53 V CB -1.342 29.975 31.823 -0.844 0.000 0.997 53 V HN 0.200 nan 8.190 nan 0.000 0.469 54 Y N 0.468 120.787 120.300 0.031 0.000 2.299 54 Y HA 0.533 4.306 4.550 -1.295 0.000 0.335 54 Y C 0.929 176.869 175.900 0.066 0.000 1.287 54 Y CA -0.424 57.724 58.100 0.081 0.000 1.424 54 Y CB 0.055 38.539 38.460 0.041 0.000 1.326 54 Y HN 0.119 nan 8.280 nan 0.000 0.567 55 D N 1.010 121.528 120.400 0.196 0.000 2.531 55 D HA 0.144 4.008 4.640 -1.294 0.000 0.239 55 D C -0.610 175.703 176.300 0.021 0.000 1.144 55 D CA 0.808 54.844 54.000 0.060 0.000 0.869 55 D CB 0.347 41.145 40.800 -0.004 0.000 1.160 55 D HN 0.508 nan 8.370 nan 0.000 0.484 56 S N 3.009 118.709 115.700 -0.000 0.000 2.542 56 S HA 0.455 4.148 4.470 -1.294 0.000 0.276 56 S C -2.422 172.162 174.600 -0.026 0.000 1.148 56 S CA -1.064 57.133 58.200 -0.006 0.000 0.886 56 S CB 1.702 64.924 63.200 0.037 0.000 1.109 56 S HN 0.189 nan 8.310 nan 0.000 0.458 57 P HA 0.130 nan 4.420 nan 0.000 0.226 57 P C 0.366 177.661 177.300 -0.009 0.000 1.153 57 P CA 0.611 63.702 63.100 -0.015 0.000 0.777 57 P CB -0.004 31.696 31.700 -0.000 0.000 0.794 58 M N -2.419 117.188 119.600 0.011 0.000 2.879 58 M HA -0.220 3.484 4.480 -1.294 0.000 0.210 58 M C 0.678 177.021 176.300 0.071 0.000 0.550 58 M CA 0.647 55.963 55.300 0.027 0.000 0.732 58 M CB -2.836 29.740 32.600 -0.039 0.000 2.662 58 M HN 0.066 nan 8.290 nan 0.000 0.516 59 D N 1.073 121.523 120.400 0.083 0.000 2.218 59 D HA -0.099 3.765 4.640 -1.294 0.000 0.204 59 D C 0.982 177.371 176.300 0.149 0.000 0.976 59 D CA 1.945 56.006 54.000 0.101 0.000 0.853 59 D CB 0.224 41.080 40.800 0.094 0.000 0.939 59 D HN 0.517 nan 8.370 nan 0.000 0.481 60 D N -0.733 119.785 120.400 0.197 0.000 2.819 60 D HA 0.083 3.947 4.640 -1.294 0.000 0.326 60 D C -0.792 175.706 176.300 0.330 0.000 1.408 60 D CA -0.336 53.828 54.000 0.273 0.000 0.811 60 D CB -0.774 40.246 40.800 0.365 0.000 1.148 60 D HN -0.001 nan 8.370 nan 0.000 0.457 61 N N 0.794 119.635 118.700 0.235 0.000 2.686 61 N HA -0.219 3.744 4.740 -1.294 0.000 0.261 61 N C 1.001 176.621 175.510 0.184 0.000 1.001 61 N CA 1.461 54.628 53.050 0.195 0.000 0.764 61 N CB -0.943 37.714 38.487 0.282 0.000 0.898 61 N HN 0.646 nan 8.380 nan 0.000 0.544 62 G N -1.044 107.832 108.800 0.127 0.000 2.279 62 G HA2 -0.360 2.824 3.960 -1.294 0.000 0.223 62 G HA3 -0.360 2.824 3.960 -1.294 0.000 0.223 62 G C 0.435 175.305 174.900 -0.050 0.000 1.015 62 G CA 0.194 45.309 45.100 0.026 0.000 0.621 62 G HN 0.436 nan 8.290 nan 0.000 0.506 63 Y N 2.786 123.200 120.300 0.191 0.000 2.502 63 Y HA 0.274 4.049 4.550 -1.290 0.000 0.295 63 Y C 0.826 176.850 175.900 0.207 0.000 1.193 63 Y CA 0.702 58.923 58.100 0.202 0.000 1.295 63 Y CB 0.497 39.089 38.460 0.220 0.000 1.059 63 Y HN 0.401 nan 8.280 nan 0.000 0.514 64 D N 0.093 120.634 120.400 0.236 0.000 2.432 64 D HA 0.199 4.063 4.640 -1.294 0.000 0.265 64 D C -0.442 175.898 176.300 0.067 0.000 1.160 64 D CA -0.130 53.977 54.000 0.179 0.000 0.911 64 D CB 0.229 41.123 40.800 0.156 0.000 1.052 64 D HN 0.154 nan 8.370 nan 0.000 0.508 65 I N 1.194 121.757 120.570 -0.012 0.000 2.371 65 I HA 0.255 3.649 4.170 -1.294 0.000 0.290 65 I C 1.286 177.295 176.117 -0.180 0.000 1.028 65 I CA -0.421 60.780 61.300 -0.164 0.000 1.345 65 I CB 1.757 39.481 38.000 -0.460 0.000 1.407 65 I HN 0.436 nan 8.210 nan 0.000 0.501 66 A N 5.216 127.933 122.820 -0.171 0.000 2.220 66 A HA 0.170 3.713 4.320 -1.294 0.000 0.211 66 A C 0.659 177.929 177.584 -0.524 0.000 1.176 66 A CA 0.409 52.312 52.037 -0.224 0.000 0.834 66 A CB 0.054 18.969 19.000 -0.141 0.000 0.868 66 A HN 0.718 nan 8.150 nan 0.000 0.488 67 N N -1.257 117.187 118.700 -0.427 0.000 2.752 67 N HA 0.173 4.137 4.740 -1.294 0.000 0.268 67 N C -0.837 174.565 175.510 -0.179 0.000 1.190 67 N CA -0.364 52.438 53.050 -0.413 0.000 0.897 67 N CB 0.448 38.783 38.487 -0.254 0.000 1.515 67 N HN 0.035 nan 8.380 nan 0.000 0.567 68 Y N 1.425 121.672 120.300 -0.088 0.000 2.497 68 Y HA 0.049 3.822 4.550 -1.295 0.000 0.292 68 Y C 1.023 177.103 175.900 0.301 0.000 1.137 68 Y CA 0.998 59.087 58.100 -0.018 0.000 1.285 68 Y CB 0.429 38.867 38.460 -0.036 0.000 0.991 68 Y HN 0.521 nan 8.280 nan 0.000 0.556 69 E N -0.457 119.870 120.200 0.212 0.000 2.685 69 E HA 0.507 4.081 4.350 -1.294 0.000 0.208 69 E C -0.355 176.299 176.600 0.091 0.000 0.996 69 E CA -0.194 56.208 56.400 0.003 0.000 1.054 69 E CB 0.465 29.761 29.700 -0.673 0.000 1.075 69 E HN 0.181 nan 8.360 nan 0.000 0.460 70 A N 0.942 123.911 122.820 0.248 0.000 2.486 70 A HA 0.526 4.070 4.320 -1.294 0.000 0.300 70 A C -0.972 176.768 177.584 0.261 0.000 1.048 70 A CA -0.724 51.423 52.037 0.185 0.000 0.696 70 A CB 1.110 20.145 19.000 0.058 0.000 1.278 70 A HN 0.066 nan 8.150 nan 0.000 0.405 71 I N 1.786 122.482 120.570 0.211 0.000 2.519 71 I HA 0.404 3.798 4.170 -1.294 0.000 0.287 71 I C 1.156 177.355 176.117 0.137 0.000 1.047 71 I CA -0.128 61.286 61.300 0.189 0.000 1.381 71 I CB 0.974 39.072 38.000 0.164 0.000 1.417 71 I HN 0.801 nan 8.210 nan 0.000 0.540 72 A N 4.635 127.556 122.820 0.167 0.000 2.477 72 A HA 0.077 3.621 4.320 -1.294 0.000 0.246 72 A C 1.084 178.643 177.584 -0.042 0.000 1.078 72 A CA -0.268 51.792 52.037 0.038 0.000 0.770 72 A CB -0.043 18.944 19.000 -0.021 0.000 1.011 72 A HN 0.766 nan 8.150 nan 0.000 0.494 73 D N 1.494 121.845 120.400 -0.081 0.000 2.149 73 D HA -0.207 3.656 4.640 -1.294 0.000 0.194 73 D C 1.513 177.725 176.300 -0.148 0.000 1.001 73 D CA 1.798 55.745 54.000 -0.088 0.000 0.849 73 D CB -0.193 40.554 40.800 -0.088 0.000 0.939 73 D HN 0.585 nan 8.370 nan 0.000 0.449 74 I N -0.208 120.184 120.570 -0.296 0.000 2.423 74 I HA -0.230 3.163 4.170 -1.294 0.000 0.254 74 I C 1.427 177.311 176.117 -0.387 0.000 1.151 74 I CA 1.053 62.108 61.300 -0.408 0.000 1.421 74 I CB -0.144 37.485 38.000 -0.618 0.000 1.079 74 I HN -0.117 nan 8.210 nan 0.000 0.431 75 F N 0.081 119.977 119.950 -0.089 0.000 2.698 75 F HA 0.434 4.185 4.527 -1.294 0.000 0.295 75 F C 1.641 177.406 175.800 -0.059 0.000 1.124 75 F CA 0.443 58.391 58.000 -0.087 0.000 1.426 75 F CB -0.652 38.281 39.000 -0.112 0.000 1.120 75 F HN 0.171 nan 8.300 nan 0.000 0.583 76 G N 0.485 109.341 108.800 0.093 0.000 2.250 76 G HA2 -0.051 3.133 3.960 -1.294 0.000 0.189 76 G HA3 -0.051 3.133 3.960 -1.294 0.000 0.189 76 G C -1.014 173.919 174.900 0.056 0.000 1.298 76 G CA -0.344 44.790 45.100 0.056 0.000 1.246 76 G HN 0.438 nan 8.290 nan 0.000 0.513 77 N N -1.856 116.879 118.700 0.058 0.000 2.902 77 N HA 0.517 4.481 4.740 -1.294 0.000 0.268 77 N C 1.174 176.731 175.510 0.078 0.000 1.450 77 N CA -0.437 52.650 53.050 0.061 0.000 0.819 77 N CB 1.593 40.102 38.487 0.037 0.000 1.540 77 N HN 0.517 nan 8.380 nan 0.000 0.545 78 M N 0.816 120.468 119.600 0.086 0.000 2.202 78 M HA 0.021 3.724 4.480 -1.294 0.000 0.262 78 M C 1.925 178.264 176.300 0.065 0.000 1.063 78 M CA 1.756 57.116 55.300 0.100 0.000 1.097 78 M CB -0.950 31.705 32.600 0.092 0.000 1.382 78 M HN 0.805 nan 8.290 nan 0.000 0.413 79 A N -0.266 122.580 122.820 0.043 0.000 1.902 79 A HA -0.182 3.361 4.320 -1.294 0.000 0.217 79 A C 1.902 179.501 177.584 0.026 0.000 1.181 79 A CA 2.080 54.133 52.037 0.026 0.000 0.623 79 A CB -0.981 18.029 19.000 0.017 0.000 0.818 79 A HN 0.548 nan 8.150 nan 0.000 0.443 80 D N -0.975 119.444 120.400 0.032 0.000 2.144 80 D HA -0.137 3.727 4.640 -1.294 0.000 0.200 80 D C 1.817 178.134 176.300 0.029 0.000 0.978 80 D CA 1.664 55.680 54.000 0.026 0.000 0.833 80 D CB -0.317 40.502 40.800 0.031 0.000 0.961 80 D HN 0.423 nan 8.370 nan 0.000 0.470 81 M N 1.214 120.846 119.600 0.054 0.000 2.117 81 M HA -0.131 3.573 4.480 -1.294 0.000 0.262 81 M C 1.095 177.433 176.300 0.062 0.000 1.065 81 M CA 1.502 56.845 55.300 0.072 0.000 1.114 81 M CB -0.217 32.484 32.600 0.168 0.000 1.361 81 M HN -0.228 nan 8.290 nan 0.000 0.408 82 D N -0.051 120.379 120.400 0.051 0.000 2.117 82 D HA -0.154 3.709 4.640 -1.294 0.000 0.197 82 D C 1.719 178.024 176.300 0.007 0.000 0.987 82 D CA 1.173 55.186 54.000 0.022 0.000 0.829 82 D CB -0.636 40.166 40.800 0.004 0.000 0.961 82 D HN 0.412 nan 8.370 nan 0.000 0.460 83 N N 0.565 119.268 118.700 0.006 0.000 2.166 83 N HA -0.121 3.842 4.740 -1.294 0.000 0.186 83 N C 1.897 177.404 175.510 -0.006 0.000 1.019 83 N CA 0.299 53.347 53.050 -0.002 0.000 0.856 83 N CB -0.394 38.092 38.487 -0.002 0.000 0.993 83 N HN 0.172 nan 8.380 nan 0.000 0.426 84 L N 1.254 122.474 121.223 -0.005 0.000 2.017 84 L HA -0.051 3.513 4.340 -1.294 0.000 0.208 84 L C 2.026 178.884 176.870 -0.020 0.000 1.073 84 L CA 1.308 56.139 54.840 -0.015 0.000 0.745 84 L CB -0.776 41.267 42.059 -0.026 0.000 0.894 84 L HN 0.091 nan 8.230 nan 0.000 0.432 85 L N -1.064 120.152 121.223 -0.012 0.000 1.989 85 L HA -0.253 3.311 4.340 -1.294 0.000 0.211 85 L C 2.386 179.238 176.870 -0.029 0.000 1.071 85 L CA 2.073 56.902 54.840 -0.020 0.000 0.749 85 L CB -1.126 40.932 42.059 -0.002 0.000 0.890 85 L HN 0.288 nan 8.230 nan 0.000 0.431 86 T N -1.399 113.141 114.554 -0.023 0.000 2.708 86 T HA -0.179 3.395 4.350 -1.294 0.000 0.266 86 T C 1.924 176.609 174.700 -0.025 0.000 1.037 86 T CA 1.010 63.094 62.100 -0.026 0.000 1.146 86 T CB -0.123 68.733 68.868 -0.020 0.000 0.865 86 T HN 0.269 nan 8.240 nan 0.000 0.435 87 Q N 0.714 120.502 119.800 -0.020 0.000 2.167 87 Q HA 0.073 3.637 4.340 -1.294 0.000 0.202 87 Q C 2.636 178.623 176.000 -0.021 0.000 0.970 87 Q CA 1.365 57.158 55.803 -0.017 0.000 0.855 87 Q CB -0.644 28.086 28.738 -0.012 0.000 0.911 87 Q HN 0.578 nan 8.270 nan 0.000 0.438 88 A N 1.391 124.195 122.820 -0.028 0.000 1.873 88 A HA -0.184 3.360 4.320 -1.294 0.000 0.215 88 A C 2.154 179.711 177.584 -0.045 0.000 1.186 88 A CA 1.664 53.680 52.037 -0.035 0.000 0.616 88 A CB -0.448 18.526 19.000 -0.042 0.000 0.823 88 A HN 0.294 nan 8.150 nan 0.000 0.442 89 K N -0.630 119.738 120.400 -0.054 0.000 2.032 89 K HA -0.158 3.386 4.320 -1.294 0.000 0.209 89 K C 1.994 178.562 176.600 -0.053 0.000 1.048 89 K CA 1.924 58.171 56.287 -0.068 0.000 0.927 89 K CB -0.295 32.165 32.500 -0.067 0.000 0.712 89 K HN 0.490 nan 8.250 nan 0.000 0.441 90 M N 0.087 119.664 119.600 -0.038 0.000 2.346 90 M HA -0.145 3.559 4.480 -1.294 0.000 0.263 90 M C 1.250 177.536 176.300 -0.023 0.000 1.064 90 M CA 1.472 56.756 55.300 -0.027 0.000 1.083 90 M CB 0.035 32.623 32.600 -0.020 0.000 1.399 90 M HN 0.070 nan 8.290 nan 0.000 0.435 91 R N -0.288 120.197 120.500 -0.024 0.000 2.507 91 R HA 0.235 3.799 4.340 -1.294 0.000 0.298 91 R C 0.833 177.119 176.300 -0.023 0.000 0.999 91 R CA 0.256 56.346 56.100 -0.016 0.000 1.082 91 R CB 0.388 30.683 30.300 -0.009 0.000 1.246 91 R HN 0.454 nan 8.270 nan 0.000 0.553 92 G N 1.684 110.461 108.800 -0.038 0.000 2.198 92 G HA2 -0.277 2.906 3.960 -1.294 0.000 0.260 92 G HA3 -0.277 2.906 3.960 -1.294 0.000 0.260 92 G C 0.049 174.915 174.900 -0.058 0.000 1.025 92 G CA 0.073 45.142 45.100 -0.050 0.000 0.769 92 G HN 0.301 nan 8.290 nan 0.000 0.507 93 I N 0.193 120.726 120.570 -0.062 0.000 2.389 93 I HA 0.356 3.750 4.170 -1.294 0.000 0.288 93 I C 0.429 176.492 176.117 -0.090 0.000 0.999 93 I CA -0.795 60.472 61.300 -0.055 0.000 1.129 93 I CB 1.566 39.546 38.000 -0.033 0.000 1.288 93 I HN -0.056 nan 8.210 nan 0.000 0.444 94 K N 5.889 126.218 120.400 -0.118 0.000 2.098 94 K HA 0.569 4.113 4.320 -1.294 0.000 0.261 94 K C -0.757 175.807 176.600 -0.060 0.000 0.987 94 K CA -0.803 55.392 56.287 -0.152 0.000 0.916 94 K CB 1.768 34.078 32.500 -0.317 0.000 1.039 94 K HN 0.363 nan 8.250 nan 0.000 0.455 95 I N 3.625 124.152 120.570 -0.071 0.000 2.339 95 I HA 0.275 3.669 4.170 -1.294 0.000 0.290 95 I C 0.024 176.102 176.117 -0.065 0.000 0.994 95 I CA -0.502 60.768 61.300 -0.050 0.000 1.191 95 I CB 0.803 38.763 38.000 -0.067 0.000 1.343 95 I HN 0.473 nan 8.210 nan 0.000 0.458 96 I N 6.548 127.115 120.570 -0.005 0.000 2.312 96 I HA 0.269 3.663 4.170 -1.294 0.000 0.290 96 I C 0.276 176.388 176.117 -0.008 0.000 1.008 96 I CA -0.400 60.879 61.300 -0.035 0.000 1.226 96 I CB 1.008 39.039 38.000 0.052 0.000 1.371 96 I HN 0.334 nan 8.210 nan 0.000 0.468 97 M N 4.399 123.927 119.600 -0.120 0.000 2.255 97 M HA 0.199 3.903 4.480 -1.294 0.000 0.336 97 M C -0.054 176.325 176.300 0.131 0.000 1.135 97 M CA -0.219 55.048 55.300 -0.056 0.000 1.145 97 M CB 0.699 33.179 32.600 -0.201 0.000 1.473 97 M HN 0.394 nan 8.290 nan 0.000 0.462 98 D N 2.550 123.067 120.400 0.195 0.000 2.316 98 D HA 0.262 4.126 4.640 -1.294 0.000 0.245 98 D C -1.302 175.146 176.300 0.246 0.000 1.171 98 D CA -0.391 53.766 54.000 0.261 0.000 0.856 98 D CB 0.753 41.752 40.800 0.332 0.000 1.090 98 D HN 0.339 nan 8.370 nan 0.000 0.476 99 L N 5.466 126.783 121.223 0.156 0.000 2.259 99 L HA 0.244 3.807 4.340 -1.294 0.000 0.288 99 L C -0.906 175.982 176.870 0.032 0.000 1.051 99 L CA -0.453 54.404 54.840 0.029 0.000 0.824 99 L CB 1.166 43.131 42.059 -0.157 0.000 1.206 99 L HN 0.119 nan 8.230 nan 0.000 0.429 100 V N 6.450 126.400 119.914 0.059 0.000 2.239 100 V HA 0.211 3.555 4.120 -1.294 0.000 0.267 100 V C 0.545 176.676 176.094 0.062 0.000 1.056 100 V CA -0.114 62.222 62.300 0.059 0.000 0.830 100 V CB 0.853 32.740 31.823 0.106 0.000 1.090 100 V HN 0.643 nan 8.190 nan 0.000 0.459 101 V N 0.190 120.110 119.914 0.010 0.000 3.159 101 V HA 0.312 3.656 4.120 -1.294 0.000 0.333 101 V C 1.170 177.411 176.094 0.246 0.000 1.424 101 V CA 0.345 62.729 62.300 0.139 0.000 1.125 101 V CB 0.134 32.058 31.823 0.169 0.000 1.075 101 V HN 0.685 nan 8.190 nan 0.000 0.482 102 N N 1.619 120.325 118.700 0.010 0.000 2.424 102 N HA -0.008 3.955 4.740 -1.294 0.000 0.178 102 N C 0.257 175.956 175.510 0.316 0.000 1.060 102 N CA 0.813 53.962 53.050 0.164 0.000 0.901 102 N CB 0.255 38.854 38.487 0.186 0.000 0.979 102 N HN 0.917 nan 8.380 nan 0.000 0.451 103 H N -2.516 116.738 119.070 0.307 0.000 2.967 103 H HA 0.278 4.057 4.556 -1.295 0.000 0.318 103 H C -1.100 174.388 175.328 0.266 0.000 1.375 103 H CA -0.664 55.558 56.048 0.291 0.000 1.132 103 H CB 0.996 30.928 29.762 0.282 0.000 1.848 103 H HN 0.007 nan 8.280 nan 0.000 0.524 104 T N -2.123 112.654 114.554 0.372 0.000 2.804 104 T HA 0.439 4.013 4.350 -1.294 0.000 0.290 104 T C -0.016 174.779 174.700 0.158 0.000 1.099 104 T CA -0.570 61.654 62.100 0.208 0.000 1.011 104 T CB 1.849 70.811 68.868 0.157 0.000 1.291 104 T HN 0.694 nan 8.240 nan 0.000 0.523 105 S N 0.111 115.856 115.700 0.076 0.000 2.585 105 S HA 0.173 3.867 4.470 -1.294 0.000 0.273 105 S C 1.003 175.543 174.600 -0.099 0.000 1.339 105 S CA 0.023 58.228 58.200 0.008 0.000 1.028 105 S CB 0.042 63.247 63.200 0.008 0.000 0.906 105 S HN 0.835 nan 8.310 nan 0.000 0.528 106 D N 1.837 122.082 120.400 -0.257 0.000 2.363 106 D HA -0.030 3.834 4.640 -1.294 0.000 0.226 106 D C 0.663 176.964 176.300 0.002 0.000 1.020 106 D CA 0.534 54.225 54.000 -0.515 0.000 0.892 106 D CB -0.161 40.275 40.800 -0.606 0.000 0.900 106 D HN 0.757 nan 8.370 nan 0.000 0.531 107 E N -0.523 119.692 120.200 0.026 0.000 2.501 107 E HA -0.006 3.568 4.350 -1.294 0.000 0.201 107 E C 0.284 176.920 176.600 0.060 0.000 1.016 107 E CA -0.395 56.041 56.400 0.061 0.000 0.920 107 E CB 0.344 30.052 29.700 0.012 0.000 1.023 107 E HN 0.326 nan 8.360 nan 0.000 0.474 108 H N 0.238 119.315 119.070 0.011 0.000 2.707 108 H HA 0.166 3.946 4.556 -1.294 0.000 0.359 108 H C 1.055 176.402 175.328 0.031 0.000 1.113 108 H CA 0.578 56.596 56.048 -0.049 0.000 1.422 108 H CB 1.452 31.180 29.762 -0.056 0.000 1.443 108 H HN 0.107 nan 8.280 nan 0.000 0.591 109 A N 4.853 127.647 122.820 -0.044 0.000 1.948 109 A HA -0.217 3.327 4.320 -1.294 0.000 0.220 109 A C 2.060 179.889 177.584 0.408 0.000 1.177 109 A CA 1.303 53.410 52.037 0.116 0.000 0.636 109 A CB -0.733 18.247 19.000 -0.033 0.000 0.815 109 A HN 0.802 nan 8.150 nan 0.000 0.449 110 W N -1.363 120.304 121.300 0.611 0.000 2.358 110 W HA -0.118 3.765 4.660 -1.294 0.000 0.303 110 W C 2.096 178.870 176.519 0.425 0.000 1.208 110 W CA 0.669 58.279 57.345 0.442 0.000 1.274 110 W CB -1.592 28.162 29.460 0.489 0.000 1.138 110 W HN 0.439 nan 8.180 nan 0.000 0.515 111 F N 0.531 120.762 119.950 0.468 0.000 2.163 111 F HA -0.091 3.661 4.527 -1.292 0.000 0.297 111 F C 2.263 178.088 175.800 0.042 0.000 1.094 111 F CA 1.358 59.350 58.000 -0.013 0.000 1.290 111 F CB -0.641 38.165 39.000 -0.323 0.000 1.017 111 F HN -0.304 nan 8.300 nan 0.000 0.483 112 I N 0.101 120.772 120.570 0.170 0.000 2.208 112 I HA -0.290 3.104 4.170 -1.294 0.000 0.245 112 I C 2.333 178.460 176.117 0.018 0.000 1.097 112 I CA 1.856 63.196 61.300 0.066 0.000 1.363 112 I CB -0.497 37.565 38.000 0.104 0.000 1.051 112 I HN 0.149 nan 8.210 nan 0.000 0.413 113 E N 1.369 121.613 120.200 0.074 0.000 2.107 113 E HA -0.149 3.425 4.350 -1.294 0.000 0.191 113 E C 2.086 178.692 176.600 0.010 0.000 0.982 113 E CA 1.418 57.851 56.400 0.054 0.000 0.809 113 E CB -0.096 29.628 29.700 0.040 0.000 0.756 113 E HN 0.405 nan 8.360 nan 0.000 0.459 114 A N 0.827 123.621 122.820 -0.043 0.000 1.930 114 A HA -0.152 3.392 4.320 -1.294 0.000 0.217 114 A C 2.278 179.705 177.584 -0.262 0.000 1.175 114 A CA 1.625 53.604 52.037 -0.097 0.000 0.627 114 A CB -0.514 18.520 19.000 0.057 0.000 0.815 114 A HN 0.246 nan 8.150 nan 0.000 0.443 115 R N -0.255 120.023 120.500 -0.370 0.000 2.075 115 R HA -0.064 3.500 4.340 -1.294 0.000 0.226 115 R C 1.903 178.062 176.300 -0.235 0.000 1.114 115 R CA 1.432 57.315 56.100 -0.361 0.000 0.972 115 R CB -0.219 29.849 30.300 -0.386 0.000 0.869 115 R HN 0.634 nan 8.270 nan 0.000 0.437 116 E N -0.847 119.276 120.200 -0.128 0.000 2.152 116 E HA -0.122 3.452 4.350 -1.294 0.000 0.192 116 E C -0.191 176.200 176.600 -0.348 0.000 0.983 116 E CA 0.866 57.180 56.400 -0.143 0.000 0.818 116 E CB 0.149 29.877 29.700 0.045 0.000 0.758 116 E HN 0.466 nan 8.360 nan 0.000 0.467 117 H N -0.959 118.022 119.070 -0.149 0.000 2.541 117 H HA 0.179 3.959 4.556 -1.294 0.000 0.246 117 H C -2.142 173.078 175.328 -0.181 0.000 1.341 117 H CA -2.102 53.862 56.048 -0.140 0.000 1.469 117 H CB 0.998 30.698 29.762 -0.103 0.000 1.472 117 H HN 0.004 nan 8.280 nan 0.000 0.503 118 P HA -0.152 nan 4.420 nan 0.000 0.222 118 P C 0.552 177.751 177.300 -0.169 0.000 1.142 118 P CA 1.207 64.157 63.100 -0.250 0.000 0.788 118 P CB 0.409 31.931 31.700 -0.297 0.000 0.767 119 D N -1.819 118.524 120.400 -0.096 0.000 2.350 119 D HA 0.013 3.877 4.640 -1.294 0.000 0.213 119 D C 0.814 177.078 176.300 -0.061 0.000 1.031 119 D CA 0.372 54.330 54.000 -0.070 0.000 0.861 119 D CB -0.210 40.562 40.800 -0.048 0.000 0.926 119 D HN 0.217 nan 8.370 nan 0.000 0.520 120 S N -0.820 114.844 115.700 -0.059 0.000 2.608 120 S HA 0.161 3.855 4.470 -1.294 0.000 0.261 120 S C 1.524 176.042 174.600 -0.137 0.000 1.314 120 S CA -0.455 57.690 58.200 -0.092 0.000 0.992 120 S CB 1.704 64.844 63.200 -0.100 0.000 0.935 120 S HN -0.097 nan 8.310 nan 0.000 0.564 121 S N 1.425 117.016 115.700 -0.182 0.000 2.368 121 S HA -0.093 3.601 4.470 -1.294 0.000 0.224 121 S C 1.940 176.253 174.600 -0.478 0.000 1.029 121 S CA 1.131 59.191 58.200 -0.233 0.000 0.988 121 S CB -0.529 62.553 63.200 -0.197 0.000 0.838 121 S HN 0.888 nan 8.310 nan 0.000 0.462 122 E N 1.735 121.504 120.200 -0.719 0.000 2.396 122 E HA -0.176 3.398 4.350 -1.294 0.000 0.200 122 E C 1.767 178.189 176.600 -0.297 0.000 1.023 122 E CA 0.661 56.388 56.400 -1.121 0.000 0.857 122 E CB -0.316 29.001 29.700 -0.638 0.000 0.775 122 E HN 0.300 nan 8.360 nan 0.000 0.525 123 R N 1.903 122.332 120.500 -0.118 0.000 2.081 123 R HA -0.153 3.410 4.340 -1.294 0.000 0.235 123 R C 1.540 178.015 176.300 0.291 0.000 1.131 123 R CA 1.863 58.016 56.100 0.088 0.000 0.960 123 R CB -0.581 29.666 30.300 -0.088 0.000 0.856 123 R HN 0.118 nan 8.270 nan 0.000 0.436 124 D N -1.195 119.283 120.400 0.131 0.000 2.349 124 D HA -0.091 3.773 4.640 -1.294 0.000 0.224 124 D C 0.575 177.019 176.300 0.240 0.000 1.029 124 D CA 0.399 54.520 54.000 0.202 0.000 0.879 124 D CB 0.029 40.894 40.800 0.108 0.000 0.906 124 D HN 0.271 nan 8.370 nan 0.000 0.528 125 Y N -0.716 119.561 120.300 -0.040 0.000 2.516 125 Y HA 0.104 3.878 4.550 -1.293 0.000 0.291 125 Y C 0.067 175.678 175.900 -0.481 0.000 1.131 125 Y CA 0.204 58.082 58.100 -0.371 0.000 1.281 125 Y CB -0.485 37.630 38.460 -0.574 0.000 1.013 125 Y HN -0.008 nan 8.280 nan 0.000 0.554 126 Y N -1.277 119.207 120.300 0.307 0.000 2.675 126 Y HA 0.548 4.322 4.550 -1.294 0.000 0.328 126 Y C -0.190 175.791 175.900 0.135 0.000 1.092 126 Y CA -1.631 56.585 58.100 0.192 0.000 1.190 126 Y CB 1.208 39.772 38.460 0.172 0.000 1.350 126 Y HN -0.431 nan 8.280 nan 0.000 0.525 127 I N 1.185 121.840 120.570 0.141 0.000 2.354 127 I HA 0.229 3.623 4.170 -1.294 0.000 0.286 127 I C -1.427 174.775 176.117 0.142 0.000 1.007 127 I CA -0.311 61.097 61.300 0.181 0.000 1.167 127 I CB 0.558 38.661 38.000 0.173 0.000 1.320 127 I HN 0.403 nan 8.210 nan 0.000 0.458 128 W N 6.067 127.601 121.300 0.389 0.000 2.719 128 W HA 0.716 4.601 4.660 -1.292 0.000 0.352 128 W C -0.248 176.414 176.519 0.238 0.000 1.085 128 W CA -0.426 57.137 57.345 0.364 0.000 1.187 128 W CB 1.726 31.332 29.460 0.243 0.000 1.417 128 W HN 0.617 nan 8.180 nan 0.000 0.557 129 C N -1.019 118.527 119.300 0.409 0.000 3.307 129 C HA 0.442 4.126 4.460 -1.294 0.000 0.333 129 C C 0.117 175.197 174.990 0.149 0.000 1.291 129 C CA -0.706 58.371 59.018 0.099 0.000 1.273 129 C CB 1.516 29.062 27.740 -0.322 0.000 1.580 129 C HN 0.756 nan 8.230 nan 0.000 0.481 130 D N -0.115 120.328 120.400 0.072 0.000 2.323 130 D HA 0.129 3.992 4.640 -1.294 0.000 0.218 130 D C 0.299 176.632 176.300 0.055 0.000 0.973 130 D CA 1.322 55.410 54.000 0.146 0.000 0.890 130 D CB 0.120 40.972 40.800 0.087 0.000 1.011 130 D HN 0.692 nan 8.370 nan 0.000 0.499 131 Q N 1.873 121.589 119.800 -0.140 0.000 2.462 131 Q HA 0.279 3.843 4.340 -1.294 0.000 0.247 131 Q C -2.618 173.064 176.000 -0.529 0.000 1.044 131 Q CA -1.927 53.724 55.803 -0.254 0.000 0.803 131 Q CB 1.622 30.272 28.738 -0.147 0.000 1.190 131 Q HN -0.036 nan 8.270 nan 0.000 0.507 132 P HA 0.193 nan 4.420 nan 0.000 0.278 132 P C -0.877 176.063 177.300 -0.601 0.000 1.238 132 P CA -0.352 62.026 63.100 -1.202 0.000 0.794 132 P CB 1.123 31.945 31.700 -1.464 0.000 0.955 133 N N 0.824 119.289 118.700 -0.392 0.000 2.593 133 N HA 0.110 4.074 4.740 -1.294 0.000 0.304 133 N C 0.326 175.923 175.510 0.145 0.000 1.296 133 N CA -0.506 52.536 53.050 -0.013 0.000 0.950 133 N CB -0.479 38.028 38.487 0.034 0.000 1.127 133 N HN 0.316 nan 8.380 nan 0.000 0.587 134 D N -1.096 119.455 120.400 0.252 0.000 2.325 134 D HA 0.069 3.933 4.640 -1.294 0.000 0.234 134 D C -0.067 176.352 176.300 0.197 0.000 1.122 134 D CA -0.255 53.863 54.000 0.198 0.000 0.850 134 D CB -0.655 40.235 40.800 0.150 0.000 0.921 134 D HN 0.388 nan 8.370 nan 0.000 0.513 135 L N 0.843 122.192 121.223 0.209 0.000 2.490 135 L HA 0.097 3.661 4.340 -1.294 0.000 0.274 135 L C 0.849 177.692 176.870 -0.045 0.000 1.201 135 L CA 0.557 55.448 54.840 0.084 0.000 0.869 135 L CB 0.449 42.460 42.059 -0.081 0.000 1.123 135 L HN 0.035 nan 8.230 nan 0.000 0.484 136 E N 1.357 121.542 120.200 -0.025 0.000 2.222 136 E HA 0.293 3.867 4.350 -1.294 0.000 0.267 136 E C -0.810 175.702 176.600 -0.147 0.000 0.963 136 E CA -0.610 55.743 56.400 -0.078 0.000 0.837 136 E CB 2.023 31.713 29.700 -0.017 0.000 1.183 136 E HN 0.514 nan 8.360 nan 0.000 0.403 137 S N 1.102 116.684 115.700 -0.197 0.000 2.586 137 S HA 0.190 3.884 4.470 -1.294 0.000 0.274 137 S C 1.116 175.614 174.600 -0.172 0.000 1.281 137 S CA -0.474 57.571 58.200 -0.258 0.000 1.035 137 S CB 0.398 63.475 63.200 -0.204 0.000 0.962 137 S HN 0.535 nan 8.310 nan 0.000 0.512 138 I N 2.964 123.326 120.570 -0.347 0.000 2.614 138 I HA -0.060 3.334 4.170 -1.294 0.000 0.258 138 I C 0.449 176.637 176.117 0.118 0.000 1.189 138 I CA 0.911 62.050 61.300 -0.268 0.000 1.462 138 I CB -0.186 37.462 38.000 -0.587 0.000 1.092 138 I HN 0.574 nan 8.210 nan 0.000 0.442 139 F N 1.323 121.289 119.950 0.026 0.000 2.668 139 F HA 0.458 4.207 4.527 -1.297 0.000 0.297 139 F C 1.146 177.002 175.800 0.095 0.000 1.124 139 F CA -0.711 57.352 58.000 0.104 0.000 1.353 139 F CB -0.727 38.360 39.000 0.144 0.000 0.992 139 F HN 0.025 nan 8.300 nan 0.000 0.524 140 G N -0.400 108.534 108.800 0.224 0.000 2.788 140 G HA2 0.457 3.641 3.960 -1.294 0.000 0.686 140 G HA3 0.457 3.641 3.960 -1.294 0.000 0.686 140 G C -0.008 174.957 174.900 0.109 0.000 1.147 140 G CA -0.364 44.827 45.100 0.151 0.000 0.755 140 G HN 1.113 nan 8.290 nan 0.000 0.634 141 G N -0.348 108.495 108.800 0.072 0.000 2.725 141 G HA2 0.328 3.512 3.960 -1.294 0.000 0.220 141 G HA3 0.328 3.512 3.960 -1.294 0.000 0.220 141 G C 0.557 175.463 174.900 0.011 0.000 1.357 141 G CA 0.762 45.897 45.100 0.059 0.000 0.866 141 G HN 2.432 nan 8.290 nan 0.000 0.548 142 S N -0.363 115.349 115.700 0.019 0.000 2.576 142 S HA 0.551 4.244 4.470 -1.294 0.000 0.276 142 S C 1.577 176.029 174.600 -0.246 0.000 1.339 142 S CA 0.797 58.978 58.200 -0.031 0.000 1.039 142 S CB 1.021 64.266 63.200 0.075 0.000 0.902 142 S HN 2.182 nan 8.310 nan 0.000 0.516 143 A N 4.059 126.595 122.820 -0.474 0.000 2.238 143 A HA 0.239 3.782 4.320 -1.294 0.000 0.208 143 A C -0.189 176.700 177.584 -1.158 0.000 1.177 143 A CA -0.328 51.079 52.037 -1.050 0.000 0.804 143 A CB -0.234 18.058 19.000 -1.179 0.000 0.823 143 A HN 0.796 nan 8.150 nan 0.000 0.482 144 W N -0.596 120.469 121.300 -0.391 0.000 2.471 144 W HA 0.572 4.457 4.660 -1.291 0.000 0.318 144 W C -0.007 176.531 176.519 0.031 0.000 1.034 144 W CA -0.732 56.505 57.345 -0.180 0.000 1.224 144 W CB 1.125 30.486 29.460 -0.166 0.000 1.335 144 W HN 0.104 nan 8.180 nan 0.000 0.452 145 Q N 3.515 123.386 119.800 0.119 0.000 2.348 145 Q HA 0.257 3.820 4.340 -1.294 0.000 0.265 145 Q C -1.295 174.691 176.000 -0.023 0.000 0.998 145 Q CA -0.967 54.794 55.803 -0.071 0.000 0.831 145 Q CB 0.689 29.045 28.738 -0.637 0.000 1.251 145 Q HN 0.444 nan 8.270 nan 0.000 0.456 146 Y N 2.741 123.018 120.300 -0.038 0.000 2.511 146 Y HA 0.204 3.978 4.550 -1.294 0.000 0.332 146 Y C -0.538 175.340 175.900 -0.035 0.000 1.177 146 Y CA 0.355 58.253 58.100 -0.337 0.000 1.422 146 Y CB 0.802 38.946 38.460 -0.526 0.000 1.271 146 Y HN 0.730 nan 8.280 nan 0.000 0.550 147 D N 3.974 124.057 120.400 -0.528 0.000 2.441 147 D HA 0.133 3.997 4.640 -1.294 0.000 0.231 147 D C 0.011 176.010 176.300 -0.502 0.000 1.073 147 D CA -0.618 53.278 54.000 -0.174 0.000 0.850 147 D CB 0.687 41.626 40.800 0.231 0.000 1.062 147 D HN 0.635 nan 8.370 nan 0.000 0.524 148 D N 2.711 123.005 120.400 -0.177 0.000 2.371 148 D HA -0.128 3.736 4.640 -1.294 0.000 0.221 148 D C 1.417 177.682 176.300 -0.058 0.000 0.986 148 D CA 0.641 54.624 54.000 -0.028 0.000 0.899 148 D CB 0.139 41.030 40.800 0.151 0.000 0.902 148 D HN 0.374 nan 8.370 nan 0.000 0.530 149 K N 0.202 120.552 120.400 -0.084 0.000 2.137 149 K HA -0.016 3.528 4.320 -1.294 0.000 0.202 149 K C 1.382 177.894 176.600 -0.147 0.000 1.052 149 K CA 1.199 57.433 56.287 -0.089 0.000 0.961 149 K CB 0.182 32.638 32.500 -0.074 0.000 0.741 149 K HN 0.222 nan 8.250 nan 0.000 0.452 150 S N -0.692 114.883 115.700 -0.208 0.000 2.559 150 S HA 0.122 3.816 4.470 -1.294 0.000 0.226 150 S C -0.385 174.063 174.600 -0.253 0.000 1.000 150 S CA 0.005 58.045 58.200 -0.266 0.000 0.948 150 S CB 0.305 63.251 63.200 -0.423 0.000 0.870 150 S HN 0.273 nan 8.310 nan 0.000 0.497 151 D N 1.067 121.288 120.400 -0.298 0.000 2.870 151 D HA -0.129 3.735 4.640 -1.294 0.000 0.228 151 D C -0.215 175.913 176.300 -0.287 0.000 1.147 151 D CA 1.153 54.974 54.000 -0.299 0.000 0.757 151 D CB -1.426 39.352 40.800 -0.036 0.000 1.091 151 D HN 0.652 nan 8.370 nan 0.000 0.429 152 Q N -1.233 118.353 119.800 -0.357 0.000 2.495 152 Q HA 0.518 4.081 4.340 -1.294 0.000 0.287 152 Q C -0.776 175.288 176.000 0.105 0.000 1.078 152 Q CA -0.865 54.940 55.803 0.002 0.000 0.793 152 Q CB 1.663 30.507 28.738 0.176 0.000 1.459 152 Q HN 0.100 nan 8.270 nan 0.000 0.422 153 Y N 0.629 121.117 120.300 0.314 0.000 2.323 153 Y HA 0.315 4.089 4.550 -1.294 0.000 0.331 153 Y C -0.375 175.813 175.900 0.481 0.000 1.092 153 Y CA -0.566 57.733 58.100 0.332 0.000 1.150 153 Y CB 0.655 39.254 38.460 0.232 0.000 1.200 153 Y HN 0.432 nan 8.280 nan 0.000 0.472 154 Y N 1.231 121.755 120.300 0.373 0.000 2.446 154 Y HA 0.695 4.469 4.550 -1.294 0.000 0.338 154 Y C -1.082 174.874 175.900 0.093 0.000 1.055 154 Y CA -1.861 56.176 58.100 -0.106 0.000 1.101 154 Y CB 0.798 38.766 38.460 -0.819 0.000 1.221 154 Y HN 0.518 nan 8.280 nan 0.000 0.460 155 L N 4.249 125.461 121.223 -0.019 0.000 2.395 155 L HA 0.444 4.008 4.340 -1.294 0.000 0.269 155 L C -0.845 175.867 176.870 -0.263 0.000 1.133 155 L CA -0.131 54.342 54.840 -0.613 0.000 0.812 155 L CB 0.247 41.753 42.059 -0.921 0.000 1.125 155 L HN 0.968 nan 8.230 nan 0.000 0.452 156 H N 1.557 120.283 119.070 -0.573 0.000 3.278 156 H HA 0.261 4.040 4.556 -1.294 0.000 0.326 156 H C -0.777 174.239 175.328 -0.520 0.000 1.113 156 H CA -0.688 55.156 56.048 -0.340 0.000 1.553 156 H CB -0.746 28.942 29.762 -0.123 0.000 1.997 156 H HN 0.495 nan 8.280 nan 0.000 0.456 157 F N 1.631 121.296 119.950 -0.475 0.000 2.661 157 F HA 0.129 3.881 4.527 -1.292 0.000 0.298 157 F C 0.199 175.361 175.800 -1.063 0.000 1.137 157 F CA 0.491 58.028 58.000 -0.772 0.000 1.454 157 F CB 0.119 38.637 39.000 -0.803 0.000 1.103 157 F HN 0.370 nan 8.300 nan 0.000 0.577 158 F N -1.103 118.681 119.950 -0.277 0.000 3.022 158 F HA 0.266 4.015 4.527 -1.297 0.000 0.193 158 F C 1.162 176.875 175.800 -0.145 0.000 1.462 158 F CA -0.744 56.897 58.000 -0.600 0.000 0.914 158 F CB -0.829 37.707 39.000 -0.774 0.000 2.028 158 F HN -0.429 nan 8.300 nan 0.000 0.451 159 S N 0.392 116.220 115.700 0.214 0.000 2.593 159 S HA 0.166 3.860 4.470 -1.294 0.000 0.269 159 S C 0.578 175.152 174.600 -0.043 0.000 1.334 159 S CA -0.580 57.781 58.200 0.269 0.000 1.015 159 S CB 0.871 64.280 63.200 0.349 0.000 0.912 159 S HN 0.487 nan 8.310 nan 0.000 0.541 160 K N 0.734 120.960 120.400 -0.291 0.000 2.281 160 K HA -0.044 3.500 4.320 -1.294 0.000 0.203 160 K C 1.102 177.590 176.600 -0.187 0.000 1.046 160 K CA 1.094 57.029 56.287 -0.586 0.000 0.938 160 K CB -0.156 32.156 32.500 -0.315 0.000 0.737 160 K HN 0.556 nan 8.250 nan 0.000 0.458 161 K N 0.907 121.259 120.400 -0.081 0.000 2.520 161 K HA 0.055 3.599 4.320 -1.294 0.000 0.205 161 K C -0.116 176.441 176.600 -0.071 0.000 1.035 161 K CA 0.214 56.457 56.287 -0.073 0.000 1.188 161 K CB 0.512 33.006 32.500 -0.009 0.000 0.894 161 K HN 0.160 nan 8.250 nan 0.000 0.497 162 Q N 1.568 121.340 119.800 -0.046 0.000 3.230 162 Q HA 0.168 3.732 4.340 -1.294 0.000 0.303 162 Q C -2.640 173.396 176.000 0.060 0.000 0.884 162 Q CA -1.752 54.071 55.803 0.032 0.000 0.859 162 Q CB 1.472 30.241 28.738 0.051 0.000 1.432 162 Q HN 0.055 nan 8.270 nan 0.000 0.403 163 P HA -0.033 nan 4.420 nan 0.000 0.268 163 P C -0.521 176.953 177.300 0.291 0.000 1.204 163 P CA 0.082 63.158 63.100 -0.040 0.000 0.768 163 P CB 0.905 32.106 31.700 -0.830 0.000 0.842 164 D N 1.914 122.492 120.400 0.296 0.000 2.382 164 D HA 0.183 4.047 4.640 -1.294 0.000 0.245 164 D C 0.384 176.887 176.300 0.338 0.000 1.120 164 D CA 0.208 54.410 54.000 0.337 0.000 0.890 164 D CB 0.258 41.174 40.800 0.194 0.000 1.201 164 D HN 0.240 nan 8.370 nan 0.000 0.433 165 L N 2.252 123.635 121.223 0.267 0.000 2.399 165 L HA 0.229 3.793 4.340 -1.294 0.000 0.266 165 L C 0.539 177.462 176.870 0.088 0.000 1.114 165 L CA -0.592 54.258 54.840 0.016 0.000 0.804 165 L CB 0.632 42.684 42.059 -0.012 0.000 1.146 165 L HN 0.349 nan 8.230 nan 0.000 0.451 166 N N 1.168 119.815 118.700 -0.088 0.000 2.521 166 N HA 0.056 4.020 4.740 -1.294 0.000 0.236 166 N C 0.088 175.497 175.510 -0.168 0.000 1.067 166 N CA -0.226 52.819 53.050 -0.008 0.000 0.939 166 N CB 0.327 38.830 38.487 0.026 0.000 1.201 166 N HN 0.399 nan 8.380 nan 0.000 0.511 167 W N 1.520 122.737 121.300 -0.139 0.000 2.961 167 W HA 0.104 3.990 4.660 -1.290 0.000 0.240 167 W C 1.383 177.711 176.519 -0.318 0.000 1.305 167 W CA 0.064 57.220 57.345 -0.314 0.000 1.465 167 W CB 0.219 29.481 29.460 -0.331 0.000 1.135 167 W HN 0.606 nan 8.180 nan 0.000 0.688 168 E N -0.354 119.868 120.200 0.037 0.000 2.435 168 E HA -0.084 3.490 4.350 -1.294 0.000 0.195 168 E C 0.793 177.382 176.600 -0.018 0.000 1.029 168 E CA 0.097 56.559 56.400 0.104 0.000 0.865 168 E CB -0.120 29.672 29.700 0.153 0.000 0.833 168 E HN -0.032 nan 8.360 nan 0.000 0.510 169 N N 0.882 119.496 118.700 -0.143 0.000 2.439 169 N HA 0.068 4.032 4.740 -1.294 0.000 0.243 169 N C 0.433 175.757 175.510 -0.309 0.000 1.088 169 N CA 0.049 52.989 53.050 -0.184 0.000 0.940 169 N CB 1.245 39.612 38.487 -0.201 0.000 1.180 169 N HN -0.012 nan 8.380 nan 0.000 0.505 170 A N 4.324 127.027 122.820 -0.194 0.000 1.978 170 A HA -0.180 3.364 4.320 -1.294 0.000 0.220 170 A C 1.840 179.248 177.584 -0.292 0.000 1.170 170 A CA 1.393 53.308 52.037 -0.203 0.000 0.636 170 A CB -0.410 18.547 19.000 -0.072 0.000 0.810 170 A HN 0.857 nan 8.150 nan 0.000 0.448 171 N N -0.381 118.151 118.700 -0.280 0.000 2.270 171 N HA -0.053 3.910 4.740 -1.294 0.000 0.181 171 N C 1.750 176.904 175.510 -0.594 0.000 1.016 171 N CA 0.779 53.642 53.050 -0.313 0.000 0.870 171 N CB -0.109 38.276 38.487 -0.169 0.000 0.979 171 N HN 0.434 nan 8.380 nan 0.000 0.431 172 L N 2.054 122.790 121.223 -0.812 0.000 2.027 172 L HA -0.074 3.490 4.340 -1.294 0.000 0.206 172 L C 1.963 178.141 176.870 -1.153 0.000 1.074 172 L CA 1.595 55.675 54.840 -1.267 0.000 0.745 172 L CB -0.558 40.756 42.059 -1.243 0.000 0.898 172 L HN 0.150 nan 8.230 nan 0.000 0.433 173 R N -0.303 119.521 120.500 -1.128 0.000 2.091 173 R HA -0.246 3.318 4.340 -1.294 0.000 0.238 173 R C 2.190 177.649 176.300 -1.401 0.000 1.136 173 R CA 1.715 56.976 56.100 -1.398 0.000 0.959 173 R CB -0.417 29.258 30.300 -1.042 0.000 0.856 173 R HN 0.414 nan 8.270 nan 0.000 0.437 174 Q N 1.571 120.886 119.800 -0.807 0.000 2.061 174 Q HA -0.150 3.414 4.340 -1.294 0.000 0.204 174 Q C 1.636 177.393 176.000 -0.405 0.000 0.984 174 Q CA 1.812 57.344 55.803 -0.451 0.000 0.846 174 Q CB -0.008 28.601 28.738 -0.215 0.000 0.902 174 Q HN 0.202 nan 8.270 nan 0.000 0.421 175 K N -0.354 119.763 120.400 -0.472 0.000 2.147 175 K HA -0.101 3.442 4.320 -1.294 0.000 0.205 175 K C 1.823 178.276 176.600 -0.246 0.000 1.049 175 K CA 1.026 57.130 56.287 -0.304 0.000 0.936 175 K CB -0.100 32.150 32.500 -0.416 0.000 0.722 175 K HN 0.266 nan 8.250 nan 0.000 0.446 176 I N 0.334 120.608 120.570 -0.492 0.000 2.315 176 I HA -0.219 3.175 4.170 -1.294 0.000 0.248 176 I C 1.938 177.953 176.117 -0.170 0.000 1.117 176 I CA 1.519 62.583 61.300 -0.393 0.000 1.404 176 I CB -0.948 36.715 38.000 -0.561 0.000 1.071 176 I HN 0.111 nan 8.210 nan 0.000 0.419 177 Y N 1.099 121.336 120.300 -0.104 0.000 2.314 177 Y HA -0.131 3.642 4.550 -1.294 0.000 0.293 177 Y C 2.366 178.282 175.900 0.025 0.000 1.129 177 Y CA 0.213 58.297 58.100 -0.027 0.000 1.201 177 Y CB -1.127 37.315 38.460 -0.031 0.000 0.999 177 Y HN 0.217 nan 8.280 nan 0.000 0.541 178 D N -0.557 119.924 120.400 0.136 0.000 2.117 178 D HA -0.171 3.692 4.640 -1.294 0.000 0.198 178 D C 2.312 178.715 176.300 0.172 0.000 0.982 178 D CA 0.973 55.052 54.000 0.132 0.000 0.828 178 D CB -0.319 40.528 40.800 0.078 0.000 0.967 178 D HN 0.197 nan 8.370 nan 0.000 0.464 179 M N 0.080 119.762 119.600 0.137 0.000 2.117 179 M HA -0.107 3.597 4.480 -1.294 0.000 0.262 179 M C 1.975 178.496 176.300 0.369 0.000 1.065 179 M CA 1.193 56.607 55.300 0.189 0.000 1.114 179 M CB -0.352 32.277 32.600 0.049 0.000 1.361 179 M HN -0.012 nan 8.290 nan 0.000 0.408 180 M N 0.269 120.036 119.600 0.279 0.000 2.159 180 M HA -0.228 3.476 4.480 -1.294 0.000 0.263 180 M C 1.539 178.130 176.300 0.484 0.000 1.063 180 M CA 1.466 56.995 55.300 0.381 0.000 1.110 180 M CB -0.735 31.946 32.600 0.135 0.000 1.374 180 M HN 0.300 nan 8.290 nan 0.000 0.411 181 N N 0.013 118.909 118.700 0.327 0.000 2.396 181 N HA -0.110 3.854 4.740 -1.294 0.000 0.180 181 N C 1.501 177.136 175.510 0.207 0.000 1.028 181 N CA 0.985 54.178 53.050 0.239 0.000 0.893 181 N CB -0.286 38.312 38.487 0.185 0.000 0.967 181 N HN 0.322 nan 8.380 nan 0.000 0.440 182 F N 0.015 120.021 119.950 0.092 0.000 2.102 182 F HA -0.124 3.626 4.527 -1.294 0.000 0.298 182 F C 1.876 177.610 175.800 -0.110 0.000 1.105 182 F CA 1.345 59.311 58.000 -0.056 0.000 1.239 182 F CB -0.453 38.461 39.000 -0.143 0.000 0.991 182 F HN -0.036 nan 8.300 nan 0.000 0.474 183 W N 0.630 122.013 121.300 0.138 0.000 2.409 183 W HA -0.034 3.852 4.660 -1.290 0.000 0.299 183 W C 2.411 178.879 176.519 -0.085 0.000 1.203 183 W CA 1.227 58.577 57.345 0.009 0.000 1.298 183 W CB -0.441 29.199 29.460 0.300 0.000 1.127 183 W HN -0.033 nan 8.180 nan 0.000 0.528 184 I N 0.403 121.094 120.570 0.201 0.000 2.194 184 I HA -0.335 3.059 4.170 -1.294 0.000 0.246 184 I C 1.681 177.753 176.117 -0.076 0.000 1.093 184 I CA 1.436 62.730 61.300 -0.010 0.000 1.355 184 I CB -0.595 37.353 38.000 -0.087 0.000 1.046 184 I HN -0.072 nan 8.210 nan 0.000 0.413 185 D N 0.980 121.333 120.400 -0.079 0.000 2.309 185 D HA -0.143 3.721 4.640 -1.294 0.000 0.212 185 D C 1.837 178.052 176.300 -0.142 0.000 0.968 185 D CA 1.054 54.998 54.000 -0.094 0.000 0.882 185 D CB -0.140 40.599 40.800 -0.103 0.000 0.918 185 D HN 0.407 nan 8.370 nan 0.000 0.503 186 K N -0.582 119.702 120.400 -0.193 0.000 2.444 186 K HA 0.199 3.742 4.320 -1.294 0.000 0.193 186 K C 1.037 177.593 176.600 -0.074 0.000 1.024 186 K CA 0.442 56.625 56.287 -0.174 0.000 1.077 186 K CB 0.755 33.107 32.500 -0.246 0.000 0.833 186 K HN 0.085 nan 8.250 nan 0.000 0.517 187 G N 2.644 111.409 108.800 -0.059 0.000 2.130 187 G HA2 -0.216 2.968 3.960 -1.294 0.000 0.216 187 G HA3 -0.216 2.968 3.960 -1.294 0.000 0.216 187 G C 0.235 175.095 174.900 -0.067 0.000 0.999 187 G CA 0.057 45.125 45.100 -0.053 0.000 0.686 187 G HN 0.385 nan 8.290 nan 0.000 0.515 188 I N -1.862 118.666 120.570 -0.071 0.000 3.060 188 I HA 0.632 4.026 4.170 -1.294 0.000 0.285 188 I C 1.370 177.392 176.117 -0.158 0.000 1.190 188 I CA 0.082 61.308 61.300 -0.123 0.000 1.363 188 I CB 0.837 38.718 38.000 -0.199 0.000 1.396 188 I HN 0.041 nan 8.210 nan 0.000 0.607 189 G N 1.707 110.413 108.800 -0.156 0.000 3.088 189 G HA2 0.580 3.764 3.960 -1.294 0.000 0.217 189 G HA3 0.580 3.764 3.960 -1.294 0.000 0.217 189 G C 0.393 175.280 174.900 -0.023 0.000 1.159 189 G CA 0.257 45.300 45.100 -0.094 0.000 0.760 189 G HN 1.295 nan 8.290 nan 0.000 0.550 190 G N -1.016 107.634 108.800 -0.251 0.000 2.343 190 G HA2 0.386 3.570 3.960 -1.294 0.000 0.289 190 G HA3 0.386 3.570 3.960 -1.294 0.000 0.289 190 G C -1.924 172.624 174.900 -0.587 0.000 1.295 190 G CA -1.051 43.839 45.100 -0.350 0.000 0.869 190 G HN 0.114 nan 8.290 nan 0.000 0.522 191 F N 0.225 120.029 119.950 -0.243 0.000 2.565 191 F HA 0.758 4.507 4.527 -1.296 0.000 0.313 191 F C 0.288 175.878 175.800 -0.351 0.000 1.091 191 F CA -0.907 56.944 58.000 -0.248 0.000 0.915 191 F CB 2.416 41.267 39.000 -0.249 0.000 1.208 191 F HN 0.419 nan 8.300 nan 0.000 0.453 192 R N 4.204 124.620 120.500 -0.139 0.000 2.265 192 R HA 0.504 4.068 4.340 -1.294 0.000 0.328 192 R C -1.441 174.724 176.300 -0.226 0.000 0.969 192 R CA -0.391 55.453 56.100 -0.426 0.000 0.832 192 R CB 0.879 30.632 30.300 -0.912 0.000 1.139 192 R HN 0.830 nan 8.270 nan 0.000 0.457 193 M N 3.747 123.191 119.600 -0.260 0.000 2.069 193 M HA 0.130 3.834 4.480 -1.294 0.000 0.349 193 M C -0.293 175.957 176.300 -0.085 0.000 1.194 193 M CA -0.600 54.603 55.300 -0.162 0.000 1.081 193 M CB 0.954 33.427 32.600 -0.211 0.000 1.500 193 M HN 0.436 nan 8.290 nan 0.000 0.438 194 D N 3.177 123.592 120.400 0.025 0.000 2.472 194 D HA 0.123 3.987 4.640 -1.294 0.000 0.248 194 D C 0.907 177.241 176.300 0.056 0.000 1.174 194 D CA 0.467 54.533 54.000 0.110 0.000 0.883 194 D CB 0.646 41.575 40.800 0.215 0.000 1.149 194 D HN 0.611 nan 8.370 nan 0.000 0.488 195 V N 2.302 122.275 119.914 0.099 0.000 4.842 195 V HA -0.337 3.007 4.120 -1.294 0.000 0.241 195 V C 1.259 177.365 176.094 0.020 0.000 0.638 195 V CA 0.905 63.275 62.300 0.117 0.000 0.729 195 V CB -2.395 29.557 31.823 0.214 0.000 0.619 195 V HN 0.646 nan 8.190 nan 0.000 0.925 196 I N 2.431 122.966 120.570 -0.058 0.000 2.423 196 I HA -0.139 3.255 4.170 -1.294 0.000 0.254 196 I C 2.077 178.112 176.117 -0.137 0.000 1.151 196 I CA 2.170 63.380 61.300 -0.152 0.000 1.421 196 I CB -0.264 37.622 38.000 -0.191 0.000 1.079 196 I HN 0.906 nan 8.210 nan 0.000 0.431 197 D N -0.774 119.593 120.400 -0.055 0.000 2.352 197 D HA -0.164 3.700 4.640 -1.294 0.000 0.232 197 D C 1.675 177.956 176.300 -0.031 0.000 1.055 197 D CA 0.704 54.709 54.000 0.007 0.000 0.891 197 D CB -0.506 40.371 40.800 0.128 0.000 0.897 197 D HN 0.399 nan 8.370 nan 0.000 0.529 198 M N -0.021 119.536 119.600 -0.071 0.000 2.414 198 M HA 0.212 3.915 4.480 -1.294 0.000 0.251 198 M C 1.885 178.126 176.300 -0.097 0.000 1.116 198 M CA 0.064 55.310 55.300 -0.090 0.000 1.056 198 M CB 0.238 32.793 32.600 -0.074 0.000 1.388 198 M HN 0.053 nan 8.290 nan 0.000 0.487 199 I N -2.316 118.120 120.570 -0.223 0.000 3.010 199 I HA 0.034 3.427 4.170 -1.294 0.000 0.271 199 I C 1.460 177.595 176.117 0.030 0.000 1.293 199 I CA 0.992 62.066 61.300 -0.377 0.000 1.452 199 I CB -0.752 36.560 38.000 -1.147 0.000 1.082 199 I HN 0.161 nan 8.210 nan 0.000 0.484 200 G N 2.507 111.340 108.800 0.055 0.000 3.284 200 G HA2 0.096 3.280 3.960 -1.294 0.000 0.236 200 G HA3 0.096 3.280 3.960 -1.294 0.000 0.236 200 G C 0.525 175.493 174.900 0.113 0.000 1.158 200 G CA -0.510 44.664 45.100 0.124 0.000 0.774 200 G HN 0.553 nan 8.290 nan 0.000 0.545 201 K N 0.189 120.656 120.400 0.112 0.000 2.469 201 K HA 0.231 3.775 4.320 -1.294 0.000 0.274 201 K C -0.662 176.035 176.600 0.163 0.000 0.983 201 K CA 0.220 56.577 56.287 0.117 0.000 0.974 201 K CB 0.948 33.539 32.500 0.151 0.000 0.913 201 K HN 0.043 nan 8.250 nan 0.000 0.493 202 I N 3.781 124.438 120.570 0.146 0.000 2.796 202 I HA 0.106 3.500 4.170 -1.294 0.000 0.277 202 I C -1.700 174.504 176.117 0.144 0.000 1.331 202 I CA -2.083 59.305 61.300 0.147 0.000 0.983 202 I CB 1.729 39.803 38.000 0.122 0.000 1.410 202 I HN 0.548 nan 8.210 nan 0.000 0.561 203 P HA -0.289 nan 4.420 nan 0.000 0.216 203 P C 1.556 178.901 177.300 0.076 0.000 1.157 203 P CA 1.867 65.052 63.100 0.141 0.000 0.880 203 P CB 0.345 32.145 31.700 0.166 0.000 0.791 204 A N -0.067 122.825 122.820 0.119 0.000 1.997 204 A HA -0.230 3.314 4.320 -1.294 0.000 0.221 204 A C 2.077 179.698 177.584 0.062 0.000 1.172 204 A CA 1.758 53.838 52.037 0.071 0.000 0.645 204 A CB -1.289 17.765 19.000 0.091 0.000 0.813 204 A HN 0.349 nan 8.150 nan 0.000 0.454 205 Q N -2.315 117.544 119.800 0.099 0.000 2.220 205 Q HA 0.186 3.750 4.340 -1.294 0.000 0.205 205 Q C -0.625 175.529 176.000 0.255 0.000 0.865 205 Q CA -0.074 55.831 55.803 0.170 0.000 0.960 205 Q CB 0.266 29.082 28.738 0.130 0.000 1.097 205 Q HN 0.830 nan 8.270 nan 0.000 0.493 206 H N -0.955 118.188 119.070 0.121 0.000 2.861 206 H HA -0.178 3.602 4.556 -1.294 0.000 0.289 206 H C -0.683 174.697 175.328 0.086 0.000 1.176 206 H CA 0.675 56.791 56.048 0.115 0.000 1.146 206 H CB -1.743 28.071 29.762 0.086 0.000 1.330 206 H HN 0.300 nan 8.280 nan 0.000 0.379 207 I N 0.546 121.208 120.570 0.154 0.000 2.304 207 I HA 0.136 3.530 4.170 -1.294 0.000 0.291 207 I C 0.960 177.114 176.117 0.062 0.000 1.018 207 I CA -0.378 60.981 61.300 0.098 0.000 1.260 207 I CB 1.202 39.256 38.000 0.089 0.000 1.390 207 I HN 0.017 nan 8.210 nan 0.000 0.475 208 V N 3.856 123.759 119.914 -0.018 0.000 3.405 208 V HA 0.131 3.475 4.120 -1.294 0.000 0.211 208 V C 0.856 176.868 176.094 -0.137 0.000 1.151 208 V CA 0.232 62.430 62.300 -0.169 0.000 1.323 208 V CB 0.190 31.770 31.823 -0.406 0.000 1.357 208 V HN 0.629 nan 8.190 nan 0.000 0.506 209 S N 0.335 115.963 115.700 -0.121 0.000 2.617 209 S HA 0.287 3.981 4.470 -1.294 0.000 0.269 209 S C 0.293 174.893 174.600 0.001 0.000 1.292 209 S CA -0.053 58.117 58.200 -0.050 0.000 1.010 209 S CB 0.236 63.429 63.200 -0.013 0.000 0.944 209 S HN 0.650 nan 8.310 nan 0.000 0.536 210 N N 0.019 118.732 118.700 0.021 0.000 2.740 210 N HA -0.149 3.815 4.740 -1.294 0.000 0.248 210 N C 0.263 175.779 175.510 0.011 0.000 1.062 210 N CA 0.165 53.231 53.050 0.027 0.000 0.704 210 N CB -1.131 37.394 38.487 0.064 0.000 0.968 210 N HN 0.734 nan 8.380 nan 0.000 0.547 211 G N 0.771 109.568 108.800 -0.006 0.000 2.664 211 G HA2 0.188 3.372 3.960 -1.294 0.000 0.242 211 G HA3 0.188 3.372 3.960 -1.294 0.000 0.242 211 G C -0.446 174.447 174.900 -0.013 0.000 1.225 211 G CA -0.720 44.384 45.100 0.007 0.000 0.849 211 G HN 0.019 nan 8.290 nan 0.000 0.581 212 P HA -0.054 nan 4.420 nan 0.000 0.220 212 P C 1.023 178.277 177.300 -0.077 0.000 1.148 212 P CA 1.061 64.151 63.100 -0.018 0.000 0.803 212 P CB 0.334 32.034 31.700 0.001 0.000 0.782 213 K N -0.842 119.459 120.400 -0.166 0.000 2.374 213 K HA 0.117 3.661 4.320 -1.294 0.000 0.196 213 K C 1.842 178.095 176.600 -0.578 0.000 1.023 213 K CA -0.308 55.730 56.287 -0.414 0.000 1.103 213 K CB -0.581 31.556 32.500 -0.604 0.000 0.848 213 K HN 0.091 nan 8.250 nan 0.000 0.528 214 L N 1.658 122.705 121.223 -0.294 0.000 1.978 214 L HA -0.249 3.315 4.340 -1.294 0.000 0.218 214 L C 2.035 178.762 176.870 -0.238 0.000 1.075 214 L CA 2.088 56.785 54.840 -0.239 0.000 0.767 214 L CB -0.624 41.270 42.059 -0.275 0.000 0.890 214 L HN 0.300 nan 8.230 nan 0.000 0.434 215 H N -0.647 118.389 119.070 -0.058 0.000 2.457 215 H HA 0.066 3.845 4.556 -1.295 0.000 0.294 215 H C 2.107 177.435 175.328 -0.001 0.000 1.064 215 H CA 1.126 57.166 56.048 -0.013 0.000 1.330 215 H CB -0.233 29.490 29.762 -0.065 0.000 1.395 215 H HN 0.575 nan 8.280 nan 0.000 0.541 216 A N 0.905 123.728 122.820 0.005 0.000 1.898 216 A HA -0.169 3.375 4.320 -1.294 0.000 0.216 216 A C 1.902 179.555 177.584 0.114 0.000 1.181 216 A CA 1.053 53.091 52.037 0.001 0.000 0.620 216 A CB -0.693 18.241 19.000 -0.110 0.000 0.819 216 A HN 0.242 nan 8.150 nan 0.000 0.442 217 Y N 0.177 120.556 120.300 0.131 0.000 2.200 217 Y HA -0.077 3.696 4.550 -1.295 0.000 0.290 217 Y C 2.204 178.205 175.900 0.169 0.000 1.137 217 Y CA 0.634 58.857 58.100 0.205 0.000 1.163 217 Y CB -0.943 37.659 38.460 0.236 0.000 0.988 217 Y HN 0.173 nan 8.280 nan 0.000 0.518 218 L N -0.278 121.100 121.223 0.258 0.000 2.083 218 L HA -0.239 3.325 4.340 -1.294 0.000 0.209 218 L C 2.287 179.248 176.870 0.153 0.000 1.083 218 L CA 1.499 56.463 54.840 0.206 0.000 0.752 218 L CB -0.500 41.686 42.059 0.212 0.000 0.899 218 L HN 0.155 nan 8.230 nan 0.000 0.433 219 K N -0.158 120.326 120.400 0.139 0.000 2.097 219 K HA -0.217 3.327 4.320 -1.294 0.000 0.205 219 K C 2.060 178.655 176.600 -0.009 0.000 1.050 219 K CA 1.334 57.667 56.287 0.078 0.000 0.938 219 K CB -0.067 32.488 32.500 0.092 0.000 0.718 219 K HN 0.293 nan 8.250 nan 0.000 0.442 220 E N 1.096 121.319 120.200 0.038 0.000 2.072 220 E HA -0.206 3.368 4.350 -1.294 0.000 0.191 220 E C 2.073 178.481 176.600 -0.320 0.000 0.985 220 E CA 0.902 57.282 56.400 -0.033 0.000 0.801 220 E CB 0.025 29.821 29.700 0.161 0.000 0.750 220 E HN 0.230 nan 8.360 nan 0.000 0.452 221 M N 0.773 120.199 119.600 -0.290 0.000 2.086 221 M HA -0.207 3.496 4.480 -1.294 0.000 0.261 221 M C 2.060 177.996 176.300 -0.607 0.000 1.067 221 M CA 2.123 57.065 55.300 -0.597 0.000 1.116 221 M CB -0.285 32.340 32.600 0.041 0.000 1.348 221 M HN 0.082 nan 8.290 nan 0.000 0.407 222 N N 0.118 118.482 118.700 -0.561 0.000 2.043 222 N HA -0.167 3.797 4.740 -1.294 0.000 0.193 222 N C 1.664 176.793 175.510 -0.635 0.000 1.037 222 N CA 2.078 54.530 53.050 -0.996 0.000 0.851 222 N CB -0.210 37.998 38.487 -0.465 0.000 1.027 222 N HN 0.444 nan 8.380 nan 0.000 0.422 223 A N -0.038 122.560 122.820 -0.371 0.000 1.972 223 A HA 0.101 3.644 4.320 -1.294 0.000 0.219 223 A C 2.178 179.622 177.584 -0.233 0.000 1.169 223 A CA 1.610 53.496 52.037 -0.252 0.000 0.635 223 A CB -0.895 18.001 19.000 -0.173 0.000 0.810 223 A HN 0.511 nan 8.150 nan 0.000 0.446 224 A N -0.865 121.758 122.820 -0.328 0.000 2.169 224 A HA 0.302 3.845 4.320 -1.294 0.000 0.212 224 A C 1.858 179.347 177.584 -0.159 0.000 1.153 224 A CA 1.673 53.556 52.037 -0.255 0.000 0.756 224 A CB -0.266 18.488 19.000 -0.409 0.000 0.813 224 A HN 0.860 nan 8.150 nan 0.000 0.471 225 S N -1.292 114.286 115.700 -0.203 0.000 4.406 225 S HA 0.187 3.881 4.470 -1.294 0.000 0.160 225 S C 1.320 175.980 174.600 0.101 0.000 0.981 225 S CA 0.549 58.747 58.200 -0.003 0.000 1.170 225 S CB -1.016 62.241 63.200 0.095 0.000 1.909 225 S HN 0.691 nan 8.310 nan 0.000 0.836 226 F N 2.779 122.826 119.950 0.161 0.000 2.365 226 F HA 0.384 4.136 4.527 -1.291 0.000 0.300 226 F C 2.219 178.163 175.800 0.239 0.000 1.090 226 F CA 0.550 58.677 58.000 0.212 0.000 1.408 226 F CB -1.175 37.963 39.000 0.230 0.000 1.060 226 F HN 0.458 nan 8.300 nan 0.000 0.534 227 G N 0.693 109.350 108.800 -0.238 0.000 2.476 227 G HA2 -0.299 2.885 3.960 -1.294 0.000 0.218 227 G HA3 -0.299 2.885 3.960 -1.294 0.000 0.218 227 G C 1.494 176.451 174.900 0.094 0.000 1.164 227 G CA 1.008 46.066 45.100 -0.070 0.000 0.768 227 G HN 0.545 nan 8.290 nan 0.000 0.560 228 Q N -0.171 119.676 119.800 0.078 0.000 2.488 228 Q HA 0.016 3.580 4.340 -1.294 0.000 0.211 228 Q C 0.400 176.343 176.000 -0.095 0.000 0.967 228 Q CA 0.324 56.114 55.803 -0.021 0.000 0.926 228 Q CB 0.072 28.746 28.738 -0.107 0.000 0.992 228 Q HN 0.655 nan 8.270 nan 0.000 0.506 229 H N -0.723 118.429 119.070 0.136 0.000 2.669 229 H HA 0.210 3.990 4.556 -1.293 0.000 0.318 229 H C -0.642 174.807 175.328 0.201 0.000 1.429 229 H CA -0.774 55.370 56.048 0.160 0.000 1.460 229 H CB 0.697 30.561 29.762 0.169 0.000 1.784 229 H HN -0.166 nan 8.280 nan 0.000 0.750 230 D N 0.725 121.340 120.400 0.358 0.000 2.634 230 D HA 0.228 4.091 4.640 -1.294 0.000 0.318 230 D C -1.104 175.493 176.300 0.495 0.000 1.226 230 D CA -0.193 54.030 54.000 0.371 0.000 0.899 230 D CB -0.533 40.500 40.800 0.387 0.000 1.025 230 D HN 0.295 nan 8.370 nan 0.000 0.501 231 L N 0.180 121.626 121.223 0.372 0.000 2.331 231 L HA 0.540 4.104 4.340 -1.294 0.000 0.268 231 L C -0.013 176.876 176.870 0.032 0.000 1.015 231 L CA -1.381 53.641 54.840 0.304 0.000 0.807 231 L CB 1.798 43.935 42.059 0.130 0.000 1.293 231 L HN 0.089 nan 8.230 nan 0.000 0.451 232 L N 1.577 122.747 121.223 -0.089 0.000 2.265 232 L HA 0.449 4.013 4.340 -1.294 0.000 0.289 232 L C -0.486 176.078 176.870 -0.510 0.000 1.033 232 L CA -0.147 54.317 54.840 -0.628 0.000 0.814 232 L CB 1.190 42.893 42.059 -0.594 0.000 1.203 232 L HN 0.757 nan 8.230 nan 0.000 0.423 233 T N 2.163 116.335 114.554 -0.635 0.000 2.786 233 T HA 0.479 4.053 4.350 -1.294 0.000 0.283 233 T C -0.645 173.709 174.700 -0.576 0.000 0.992 233 T CA -0.689 61.064 62.100 -0.579 0.000 0.954 233 T CB 1.673 70.062 68.868 -0.797 0.000 0.934 233 T HN 0.347 nan 8.240 nan 0.000 0.440 234 V N 3.152 122.719 119.914 -0.578 0.000 2.444 234 V HA 0.831 4.175 4.120 -1.294 0.000 0.294 234 V C 0.257 175.900 176.094 -0.751 0.000 1.022 234 V CA -0.195 61.659 62.300 -0.743 0.000 0.850 234 V CB 1.159 32.386 31.823 -0.994 0.000 0.992 234 V HN 1.243 nan 8.190 nan 0.000 0.426 235 G N 4.561 112.960 108.800 -0.667 0.000 2.367 235 G HA2 0.431 3.615 3.960 -1.294 0.000 0.314 235 G HA3 0.431 3.615 3.960 -1.294 0.000 0.314 235 G C -0.550 174.074 174.900 -0.460 0.000 1.130 235 G CA -0.485 44.302 45.100 -0.522 0.000 0.864 235 G HN 0.863 nan 8.290 nan 0.000 0.486 236 Q N 0.801 120.484 119.800 -0.195 0.000 2.344 236 Q HA 0.333 3.897 4.340 -1.294 0.000 0.253 236 Q C -0.406 175.641 176.000 0.079 0.000 1.050 236 Q CA -0.288 55.575 55.803 0.100 0.000 0.912 236 Q CB 0.364 29.238 28.738 0.228 0.000 1.258 236 Q HN 0.501 nan 8.270 nan 0.000 0.443 237 T N 1.106 115.720 114.554 0.100 0.000 3.064 237 T HA 0.235 3.809 4.350 -1.294 0.000 0.367 237 T C 0.060 174.912 174.700 0.253 0.000 1.202 237 T CA -0.746 61.427 62.100 0.122 0.000 1.133 237 T CB 0.099 68.961 68.868 -0.009 0.000 1.074 237 T HN 0.701 nan 8.240 nan 0.000 0.519 238 W N 3.041 124.417 121.300 0.127 0.000 2.402 238 W HA 0.217 4.102 4.660 -1.291 0.000 0.286 238 W C 2.203 178.814 176.519 0.153 0.000 1.221 238 W CA 1.069 58.473 57.345 0.098 0.000 1.257 238 W CB -0.070 29.305 29.460 -0.141 0.000 1.120 238 W HN 0.804 nan 8.180 nan 0.000 0.551 239 G N -0.413 108.588 108.800 0.336 0.000 3.262 239 G HA2 0.351 3.535 3.960 -1.294 0.000 0.228 239 G HA3 0.351 3.535 3.960 -1.294 0.000 0.228 239 G C 0.143 175.213 174.900 0.284 0.000 1.197 239 G CA 0.053 45.312 45.100 0.264 0.000 0.819 239 G HN 0.162 nan 8.290 nan 0.000 0.531 240 A N 0.730 123.756 122.820 0.343 0.000 2.354 240 A HA 0.692 4.236 4.320 -1.294 0.000 0.269 240 A C 0.697 178.570 177.584 0.482 0.000 1.109 240 A CA 0.133 52.422 52.037 0.421 0.000 0.800 240 A CB 0.526 19.811 19.000 0.475 0.000 1.045 240 A HN 0.460 nan 8.150 nan 0.000 0.489 241 T N -0.383 114.403 114.554 0.388 0.000 2.927 241 T HA 0.628 4.201 4.350 -1.294 0.000 0.286 241 T C -2.333 172.338 174.700 -0.048 0.000 1.040 241 T CA -1.759 60.481 62.100 0.233 0.000 1.010 241 T CB 1.423 70.332 68.868 0.069 0.000 1.177 241 T HN 0.199 nan 8.240 nan 0.000 0.546 242 P HA -0.071 nan 4.420 nan 0.000 0.215 242 P C 1.514 178.641 177.300 -0.289 0.000 1.153 242 P CA 0.965 63.546 63.100 -0.866 0.000 0.853 242 P CB 0.103 31.219 31.700 -0.973 0.000 0.788 243 E N -0.493 119.587 120.200 -0.201 0.000 2.077 243 E HA -0.129 3.445 4.350 -1.294 0.000 0.193 243 E C 2.132 178.679 176.600 -0.088 0.000 0.989 243 E CA 1.052 57.379 56.400 -0.121 0.000 0.800 243 E CB -0.854 28.785 29.700 -0.102 0.000 0.746 243 E HN 0.347 nan 8.360 nan 0.000 0.452 244 I N 1.055 121.598 120.570 -0.045 0.000 2.252 244 I HA -0.213 3.181 4.170 -1.294 0.000 0.245 244 I C 2.461 178.561 176.117 -0.029 0.000 1.102 244 I CA 0.934 62.192 61.300 -0.071 0.000 1.385 244 I CB -0.384 37.643 38.000 0.045 0.000 1.064 244 I HN -0.016 nan 8.210 nan 0.000 0.414 245 A N 1.078 124.025 122.820 0.213 0.000 1.940 245 A HA -0.231 3.313 4.320 -1.294 0.000 0.219 245 A C 2.295 180.017 177.584 0.229 0.000 1.176 245 A CA 1.648 53.928 52.037 0.405 0.000 0.631 245 A CB -0.443 18.878 19.000 0.535 0.000 0.814 245 A HN 0.345 nan 8.150 nan 0.000 0.446 246 K N -0.880 119.568 120.400 0.080 0.000 2.057 246 K HA -0.220 3.324 4.320 -1.294 0.000 0.207 246 K C 2.332 178.934 176.600 0.003 0.000 1.049 246 K CA 1.645 57.956 56.287 0.040 0.000 0.931 246 K CB -0.140 32.349 32.500 -0.019 0.000 0.714 246 K HN 0.586 nan 8.250 nan 0.000 0.440 247 Q N 0.216 119.951 119.800 -0.109 0.000 2.084 247 Q HA -0.191 3.373 4.340 -1.294 0.000 0.202 247 Q C 1.605 177.553 176.000 -0.086 0.000 0.978 247 Q CA 1.686 57.346 55.803 -0.239 0.000 0.844 247 Q CB -0.154 28.223 28.738 -0.602 0.000 0.898 247 Q HN 0.326 nan 8.270 nan 0.000 0.426 248 Y N -0.151 120.191 120.300 0.070 0.000 2.133 248 Y HA -0.085 3.689 4.550 -1.293 0.000 0.287 248 Y C 2.679 178.624 175.900 0.075 0.000 1.134 248 Y CA 1.492 59.661 58.100 0.116 0.000 1.133 248 Y CB -0.570 37.959 38.460 0.114 0.000 0.987 248 Y HN 0.351 nan 8.280 nan 0.000 0.502 249 S N -0.947 114.909 115.700 0.260 0.000 2.524 249 S HA 0.029 3.723 4.470 -1.294 0.000 0.216 249 S C 0.683 175.388 174.600 0.174 0.000 0.987 249 S CA -0.286 58.031 58.200 0.196 0.000 0.909 249 S CB -0.457 62.881 63.200 0.230 0.000 0.781 249 S HN 0.263 nan 8.310 nan 0.000 0.521 250 N N 3.956 122.730 118.700 0.123 0.000 2.438 250 N HA 0.139 4.103 4.740 -1.294 0.000 0.267 250 N C -1.476 174.061 175.510 0.045 0.000 1.222 250 N CA -1.578 51.523 53.050 0.085 0.000 0.930 250 N CB 1.247 39.755 38.487 0.035 0.000 1.083 250 N HN 0.093 nan 8.380 nan 0.000 0.476 251 P HA -0.187 nan 4.420 nan 0.000 0.218 251 P C 1.343 178.509 177.300 -0.224 0.000 1.146 251 P CA 1.095 64.191 63.100 -0.006 0.000 0.813 251 P CB 0.020 31.765 31.700 0.075 0.000 0.778 252 V N -2.908 116.898 119.914 -0.180 0.000 2.913 252 V HA -0.054 3.290 4.120 -1.294 0.000 0.260 252 V C 1.828 177.745 176.094 -0.296 0.000 1.098 252 V CA 1.537 63.677 62.300 -0.267 0.000 1.121 252 V CB -1.525 30.242 31.823 -0.094 0.000 0.714 252 V HN -0.001 nan 8.190 nan 0.000 0.487 253 N N -0.481 118.111 118.700 -0.180 0.000 2.463 253 N HA -0.044 3.920 4.740 -1.294 0.000 0.181 253 N C 0.205 175.732 175.510 0.029 0.000 1.078 253 N CA 0.784 53.802 53.050 -0.055 0.000 0.902 253 N CB -0.319 38.160 38.487 -0.014 0.000 0.970 253 N HN 0.664 nan 8.380 nan 0.000 0.451 254 H N -0.115 119.003 119.070 0.080 0.000 2.692 254 H HA -0.139 3.641 4.556 -1.293 0.000 0.316 254 H C 0.390 175.779 175.328 0.101 0.000 1.176 254 H CA 0.817 56.912 56.048 0.079 0.000 1.142 254 H CB -1.236 28.548 29.762 0.036 0.000 1.475 254 H HN 0.518 nan 8.280 nan 0.000 0.423 255 E N -0.564 119.765 120.200 0.214 0.000 3.076 255 E HA 0.448 4.022 4.350 -1.294 0.000 0.279 255 E C 0.749 177.543 176.600 0.324 0.000 0.945 255 E CA -0.452 56.109 56.400 0.268 0.000 1.046 255 E CB 0.773 30.643 29.700 0.284 0.000 2.828 255 E HN 0.096 nan 8.360 nan 0.000 0.582 256 L N 0.052 121.403 121.223 0.213 0.000 2.298 256 L HA 0.356 3.920 4.340 -1.294 0.000 0.268 256 L C 0.968 177.808 176.870 -0.050 0.000 1.010 256 L CA -0.490 54.377 54.840 0.046 0.000 0.812 256 L CB 1.647 43.655 42.059 -0.085 0.000 1.331 256 L HN 0.188 nan 8.230 nan 0.000 0.450 257 S N 0.286 115.815 115.700 -0.285 0.000 2.395 257 S HA 0.162 3.856 4.470 -1.294 0.000 0.225 257 S C 0.258 174.682 174.600 -0.293 0.000 1.027 257 S CA 0.846 58.753 58.200 -0.490 0.000 0.965 257 S CB 0.117 62.576 63.200 -1.234 0.000 0.812 257 S HN 0.643 nan 8.310 nan 0.000 0.482 258 M N -0.874 118.551 119.600 -0.292 0.000 3.196 258 M HA 0.579 4.283 4.480 -1.294 0.000 0.279 258 M C -1.899 174.184 176.300 -0.362 0.000 1.173 258 M CA -1.111 54.084 55.300 -0.175 0.000 0.820 258 M CB 1.759 34.305 32.600 -0.090 0.000 1.621 258 M HN -0.062 nan 8.290 nan 0.000 0.521 259 V N -1.848 117.845 119.914 -0.368 0.000 3.181 259 V HA 0.768 4.112 4.120 -1.294 0.000 0.308 259 V C -1.705 174.082 176.094 -0.512 0.000 1.214 259 V CA -0.783 61.197 62.300 -0.533 0.000 1.053 259 V CB 2.304 33.859 31.823 -0.447 0.000 1.069 259 V HN 0.787 nan 8.190 nan 0.000 0.441 260 F N 2.445 122.135 119.950 -0.433 0.000 2.391 260 F HA 0.744 4.507 4.527 -1.274 0.000 0.359 260 F C 0.316 175.830 175.800 -0.477 0.000 1.122 260 F CA -0.483 57.176 58.000 -0.569 0.000 1.120 260 F CB 1.472 39.967 39.000 -0.842 0.000 1.142 260 F HN 0.778 nan 8.300 nan 0.000 0.483 261 Q N 1.331 120.922 119.800 -0.349 0.000 2.274 261 Q HA 0.556 4.120 4.340 -1.294 0.000 0.260 261 Q C -1.184 174.517 176.000 -0.497 0.000 0.974 261 Q CA -0.341 55.229 55.803 -0.388 0.000 0.876 261 Q CB 1.122 29.327 28.738 -0.889 0.000 1.297 261 Q HN 0.499 nan 8.270 nan 0.000 0.446 262 F N 0.498 120.266 119.950 -0.304 0.000 2.772 262 F HA 0.293 4.037 4.527 -1.305 0.000 0.302 262 F C 1.428 177.114 175.800 -0.191 0.000 1.136 262 F CA -0.479 57.273 58.000 -0.412 0.000 1.322 262 F CB 0.317 38.674 39.000 -1.071 0.000 0.967 262 F HN 0.837 nan 8.300 nan 0.000 0.513 263 E N 0.617 120.876 120.200 0.099 0.000 2.077 263 E HA -0.246 3.328 4.350 -1.294 0.000 0.193 263 E C 2.319 179.021 176.600 0.169 0.000 0.989 263 E CA 1.809 58.328 56.400 0.197 0.000 0.800 263 E CB -0.063 29.834 29.700 0.328 0.000 0.746 263 E HN 0.563 nan 8.360 nan 0.000 0.452 264 H N 0.238 119.307 119.070 -0.001 0.000 2.389 264 H HA -0.086 3.673 4.556 -1.328 0.000 0.299 264 H C 2.023 177.494 175.328 0.238 0.000 1.081 264 H CA 0.928 56.992 56.048 0.027 0.000 1.345 264 H CB -0.457 29.289 29.762 -0.026 0.000 1.393 264 H HN 0.204 nan 8.280 nan 0.000 0.520 265 I N 1.887 122.227 120.570 -0.383 0.000 2.567 265 I HA -0.091 3.303 4.170 -1.294 0.000 0.257 265 I C 2.708 178.869 176.117 0.072 0.000 1.184 265 I CA 1.088 62.316 61.300 -0.119 0.000 1.451 265 I CB -1.618 36.270 38.000 -0.186 0.000 1.089 265 I HN 0.405 nan 8.210 nan 0.000 0.441 266 G N 0.850 109.688 108.800 0.064 0.000 2.470 266 G HA2 -0.161 3.022 3.960 -1.294 0.000 0.220 266 G HA3 -0.161 3.022 3.960 -1.294 0.000 0.220 266 G C 1.674 176.440 174.900 -0.224 0.000 1.121 266 G CA 0.087 45.159 45.100 -0.046 0.000 0.766 266 G HN 0.374 nan 8.290 nan 0.000 0.553 267 L N -0.080 121.161 121.223 0.029 0.000 2.622 267 L HA 0.024 3.588 4.340 -1.294 0.000 0.233 267 L C 2.538 179.510 176.870 0.169 0.000 1.156 267 L CA 0.347 55.231 54.840 0.073 0.000 0.866 267 L CB -0.111 42.003 42.059 0.093 0.000 0.980 267 L HN 0.314 nan 8.230 nan 0.000 0.448 268 Q N -0.419 119.462 119.800 0.134 0.000 2.444 268 Q HA -0.008 3.556 4.340 -1.294 0.000 0.206 268 Q C -0.327 175.763 176.000 0.150 0.000 0.948 268 Q CA 0.193 56.086 55.803 0.151 0.000 0.946 268 Q CB 0.200 28.935 28.738 -0.005 0.000 1.027 268 Q HN 0.647 nan 8.270 nan 0.000 0.513 269 H N -3.159 115.996 119.070 0.141 0.000 3.016 269 H HA 0.399 4.182 4.556 -1.288 0.000 0.362 269 H C -1.215 174.165 175.328 0.086 0.000 1.233 269 H CA -1.218 54.890 56.048 0.101 0.000 1.124 269 H CB 0.581 30.372 29.762 0.049 0.000 1.850 269 H HN -0.275 nan 8.280 nan 0.000 0.549 270 K N 2.520 123.079 120.400 0.265 0.000 2.489 270 K HA 0.100 3.643 4.320 -1.294 0.000 0.278 270 K C -2.240 174.533 176.600 0.287 0.000 1.000 270 K CA -1.217 55.182 56.287 0.187 0.000 1.012 270 K CB 0.109 32.681 32.500 0.120 0.000 0.903 270 K HN 0.536 nan 8.250 nan 0.000 0.485 271 P HA -0.060 nan 4.420 nan 0.000 0.268 271 P C -0.654 176.739 177.300 0.155 0.000 1.204 271 P CA 0.417 63.624 63.100 0.178 0.000 0.768 271 P CB 0.741 32.502 31.700 0.102 0.000 0.842 272 E N -1.604 118.691 120.200 0.159 0.000 3.181 272 E HA -0.183 3.391 4.350 -1.294 0.000 0.293 272 E C -0.051 176.584 176.600 0.058 0.000 0.936 272 E CA 1.251 57.705 56.400 0.091 0.000 0.975 272 E CB -2.072 27.670 29.700 0.071 0.000 1.496 272 E HN 0.753 nan 8.360 nan 0.000 0.429 273 A N 0.264 123.112 122.820 0.047 0.000 2.515 273 A HA 0.763 4.307 4.320 -1.294 0.000 0.296 273 A C -2.460 175.023 177.584 -0.169 0.000 1.094 273 A CA -1.289 50.746 52.037 -0.004 0.000 0.718 273 A CB 1.589 20.622 19.000 0.056 0.000 1.307 273 A HN -0.079 nan 8.150 nan 0.000 0.408 274 P HA 0.063 nan 4.420 nan 0.000 0.270 274 P C 0.253 177.338 177.300 -0.359 0.000 1.223 274 P CA -0.139 62.848 63.100 -0.189 0.000 0.785 274 P CB 0.627 32.378 31.700 0.085 0.000 0.923 275 K N 0.183 120.240 120.400 -0.572 0.000 2.360 275 K HA -0.133 3.411 4.320 -1.294 0.000 0.201 275 K C 1.409 177.762 176.600 -0.412 0.000 1.046 275 K CA 1.320 57.290 56.287 -0.528 0.000 0.945 275 K CB -0.663 31.472 32.500 -0.608 0.000 0.750 275 K HN 0.393 nan 8.250 nan 0.000 0.464 276 W N 2.083 123.296 121.300 -0.144 0.000 2.425 276 W HA -0.081 3.815 4.660 -1.274 0.000 0.277 276 W C 0.842 177.398 176.519 0.061 0.000 1.231 276 W CA 0.115 57.371 57.345 -0.148 0.000 1.248 276 W CB -0.146 29.044 29.460 -0.451 0.000 1.117 276 W HN 0.084 nan 8.180 nan 0.000 0.568 277 D N 0.620 121.141 120.400 0.201 0.000 2.713 277 D HA -0.000 3.863 4.640 -1.294 0.000 0.229 277 D C -0.178 176.190 176.300 0.113 0.000 1.136 277 D CA -0.631 53.442 54.000 0.121 0.000 1.010 277 D CB -0.887 39.971 40.800 0.096 0.000 1.084 277 D HN 0.164 nan 8.370 nan 0.000 0.495 278 Y N -0.265 120.099 120.300 0.107 0.000 2.330 278 Y HA 0.472 4.246 4.550 -1.294 0.000 0.341 278 Y C -0.495 175.468 175.900 0.105 0.000 1.278 278 Y CA -1.028 57.132 58.100 0.100 0.000 1.453 278 Y CB 0.512 39.004 38.460 0.054 0.000 1.342 278 Y HN -0.113 nan 8.280 nan 0.000 0.590 279 V N 3.344 123.433 119.914 0.292 0.000 2.444 279 V HA 0.228 3.572 4.120 -1.294 0.000 0.294 279 V C -0.041 176.260 176.094 0.345 0.000 1.022 279 V CA -1.006 61.417 62.300 0.204 0.000 0.850 279 V CB 1.322 33.238 31.823 0.156 0.000 0.992 279 V HN 0.819 nan 8.190 nan 0.000 0.426 280 K N 1.840 122.439 120.400 0.332 0.000 2.005 280 K HA 0.064 3.607 4.320 -1.294 0.000 0.206 280 K C 0.971 177.732 176.600 0.270 0.000 1.044 280 K CA 0.668 57.148 56.287 0.322 0.000 0.942 280 K CB -0.042 32.631 32.500 0.289 0.000 0.727 280 K HN 0.520 nan 8.250 nan 0.000 0.439 281 E N 1.980 122.298 120.200 0.197 0.000 2.491 281 E HA -0.068 3.506 4.350 -1.294 0.000 0.250 281 E C -0.622 176.062 176.600 0.140 0.000 1.061 281 E CA -0.075 56.416 56.400 0.152 0.000 0.942 281 E CB 0.067 29.824 29.700 0.095 0.000 0.957 281 E HN 0.040 nan 8.360 nan 0.000 0.480 282 L N 5.550 126.845 121.223 0.120 0.000 2.410 282 L HA 0.066 3.630 4.340 -1.294 0.000 0.273 282 L C 0.226 177.038 176.870 -0.097 0.000 1.152 282 L CA 0.125 54.931 54.840 -0.057 0.000 0.855 282 L CB 0.549 42.410 42.059 -0.330 0.000 1.129 282 L HN 0.271 nan 8.230 nan 0.000 0.463 283 N N 4.332 122.963 118.700 -0.115 0.000 2.602 283 N HA 0.053 4.017 4.740 -1.294 0.000 0.238 283 N C 0.857 176.283 175.510 -0.140 0.000 1.084 283 N CA -0.071 52.924 53.050 -0.092 0.000 0.952 283 N CB 0.784 39.236 38.487 -0.058 0.000 1.244 283 N HN 0.636 nan 8.380 nan 0.000 0.512 284 V N 5.242 125.082 119.914 -0.123 0.000 2.332 284 V HA -0.151 3.193 4.120 -1.294 0.000 0.248 284 V C -0.740 175.305 176.094 -0.082 0.000 1.055 284 V CA 1.602 63.844 62.300 -0.097 0.000 1.038 284 V CB -1.180 30.609 31.823 -0.057 0.000 0.651 284 V HN 0.516 nan 8.190 nan 0.000 0.450 285 P HA -0.145 nan 4.420 nan 0.000 0.215 285 P C 1.754 179.002 177.300 -0.086 0.000 1.153 285 P CA 2.024 65.070 63.100 -0.089 0.000 0.853 285 P CB -0.151 31.508 31.700 -0.068 0.000 0.788 286 A N -0.500 122.273 122.820 -0.079 0.000 1.902 286 A HA -0.180 3.364 4.320 -1.294 0.000 0.217 286 A C 2.224 179.751 177.584 -0.096 0.000 1.181 286 A CA 1.317 53.314 52.037 -0.068 0.000 0.623 286 A CB -1.694 17.271 19.000 -0.058 0.000 0.818 286 A HN 0.156 nan 8.150 nan 0.000 0.443 287 L N -0.536 120.592 121.223 -0.158 0.000 2.017 287 L HA -0.235 3.329 4.340 -1.294 0.000 0.208 287 L C 2.506 179.294 176.870 -0.136 0.000 1.073 287 L CA 2.097 56.774 54.840 -0.272 0.000 0.745 287 L CB -0.381 41.470 42.059 -0.347 0.000 0.894 287 L HN 0.396 nan 8.230 nan 0.000 0.432 288 K N -0.826 119.538 120.400 -0.059 0.000 2.020 288 K HA -0.199 3.345 4.320 -1.294 0.000 0.212 288 K C 1.880 178.458 176.600 -0.036 0.000 1.050 288 K CA 2.204 58.376 56.287 -0.190 0.000 0.929 288 K CB -0.504 31.763 32.500 -0.388 0.000 0.714 288 K HN 0.379 nan 8.250 nan 0.000 0.443 289 T N 1.787 116.317 114.554 -0.040 0.000 2.684 289 T HA -0.143 3.431 4.350 -1.294 0.000 0.267 289 T C 1.961 176.699 174.700 0.063 0.000 1.036 289 T CA 1.347 63.450 62.100 0.004 0.000 1.148 289 T CB -0.235 68.629 68.868 -0.008 0.000 0.863 289 T HN 0.147 nan 8.240 nan 0.000 0.436 290 I N -0.099 120.516 120.570 0.076 0.000 2.142 290 I HA -0.121 3.273 4.170 -1.294 0.000 0.240 290 I C 2.200 178.533 176.117 0.360 0.000 1.078 290 I CA 1.564 62.984 61.300 0.200 0.000 1.343 290 I CB -0.451 37.635 38.000 0.144 0.000 1.046 290 I HN 0.247 nan 8.210 nan 0.000 0.405 291 F N 0.796 120.782 119.950 0.060 0.000 2.095 291 F HA -0.303 3.427 4.527 -1.328 0.000 0.298 291 F C 2.621 178.318 175.800 -0.173 0.000 1.104 291 F CA 1.329 59.285 58.000 -0.074 0.000 1.232 291 F CB -0.480 38.513 39.000 -0.013 0.000 0.987 291 F HN 0.274 nan 8.300 nan 0.000 0.475 292 N N 1.059 119.839 118.700 0.134 0.000 2.104 292 N HA -0.261 3.703 4.740 -1.294 0.000 0.190 292 N C 1.929 177.432 175.510 -0.011 0.000 1.024 292 N CA 1.266 54.347 53.050 0.052 0.000 0.853 292 N CB -0.157 38.431 38.487 0.167 0.000 1.008 292 N HN 0.272 nan 8.380 nan 0.000 0.424 293 K N -0.179 120.233 120.400 0.020 0.000 2.026 293 K HA -0.152 3.392 4.320 -1.294 0.000 0.208 293 K C 1.786 178.283 176.600 -0.171 0.000 1.048 293 K CA 1.438 57.678 56.287 -0.079 0.000 0.929 293 K CB -0.232 32.207 32.500 -0.102 0.000 0.713 293 K HN 0.241 nan 8.250 nan 0.000 0.439 294 W N 1.376 122.604 121.300 -0.119 0.000 2.402 294 W HA -0.081 3.815 4.660 -1.272 0.000 0.286 294 W C 2.413 178.779 176.519 -0.256 0.000 1.221 294 W CA 0.444 57.687 57.345 -0.169 0.000 1.257 294 W CB 0.056 29.400 29.460 -0.193 0.000 1.120 294 W HN 0.194 nan 8.180 nan 0.000 0.551 295 Q N -0.640 119.049 119.800 -0.185 0.000 2.123 295 Q HA -0.084 3.480 4.340 -1.294 0.000 0.199 295 Q C 1.981 177.889 176.000 -0.154 0.000 0.966 295 Q CA 1.797 57.392 55.803 -0.346 0.000 0.845 295 Q CB -0.900 27.281 28.738 -0.928 0.000 0.907 295 Q HN 0.244 nan 8.270 nan 0.000 0.439 296 T N 1.502 115.998 114.554 -0.098 0.000 2.698 296 T HA -0.085 3.489 4.350 -1.294 0.000 0.260 296 T C 1.630 176.297 174.700 -0.055 0.000 1.044 296 T CA 0.911 62.995 62.100 -0.027 0.000 1.149 296 T CB -0.018 68.846 68.868 -0.007 0.000 0.864 296 T HN 0.182 nan 8.240 nan 0.000 0.419 297 E N 1.341 121.473 120.200 -0.114 0.000 2.058 297 E HA -0.031 3.543 4.350 -1.294 0.000 0.194 297 E C 1.135 177.682 176.600 -0.087 0.000 0.997 297 E CA 0.764 57.082 56.400 -0.137 0.000 0.801 297 E CB -0.438 29.103 29.700 -0.266 0.000 0.746 297 E HN 0.447 nan 8.360 nan 0.000 0.450 298 L N 3.360 124.542 121.223 -0.067 0.000 2.480 298 L HA 0.086 3.650 4.340 -1.294 0.000 0.243 298 L C 0.736 177.619 176.870 0.021 0.000 1.315 298 L CA -0.397 54.443 54.840 0.000 0.000 1.231 298 L CB -0.451 41.636 42.059 0.046 0.000 1.444 298 L HN 0.072 nan 8.230 nan 0.000 0.409 299 E N 0.947 121.164 120.200 0.028 0.000 2.391 299 E HA 0.288 3.862 4.350 -1.294 0.000 0.255 299 E C -0.039 176.621 176.600 0.100 0.000 1.187 299 E CA -0.893 55.540 56.400 0.054 0.000 0.941 299 E CB 1.021 30.746 29.700 0.042 0.000 1.010 299 E HN 0.233 nan 8.360 nan 0.000 0.458 300 L N 0.803 122.098 121.223 0.119 0.000 2.529 300 L HA 0.003 3.566 4.340 -1.294 0.000 0.287 300 L C 1.415 178.349 176.870 0.107 0.000 1.241 300 L CA 1.169 56.098 54.840 0.148 0.000 0.857 300 L CB -0.332 41.795 42.059 0.114 0.000 1.113 300 L HN 1.061 nan 8.230 nan 0.000 0.504 301 G N 1.784 110.649 108.800 0.108 0.000 2.321 301 G HA2 -0.326 2.858 3.960 -1.294 0.000 0.287 301 G HA3 -0.326 2.858 3.960 -1.294 0.000 0.287 301 G C 0.511 175.454 174.900 0.072 0.000 1.018 301 G CA 1.085 46.227 45.100 0.071 0.000 0.855 301 G HN 0.865 nan 8.290 nan 0.000 0.507 302 Q N -2.105 117.756 119.800 0.102 0.000 2.024 302 Q HA 0.437 4.001 4.340 -1.294 0.000 0.227 302 Q C 0.790 176.853 176.000 0.105 0.000 0.720 302 Q CA 0.974 56.823 55.803 0.076 0.000 0.884 302 Q CB 0.964 29.733 28.738 0.051 0.000 1.212 302 Q HN 1.421 nan 8.270 nan 0.000 0.450 303 G N 0.037 108.942 108.800 0.175 0.000 2.338 303 G HA2 0.282 3.466 3.960 -1.294 0.000 0.295 303 G HA3 0.282 3.466 3.960 -1.294 0.000 0.295 303 G C -2.687 172.433 174.900 0.366 0.000 1.461 303 G CA -0.587 44.648 45.100 0.225 0.000 0.817 303 G HN 0.072 nan 8.290 nan 0.000 0.556 304 W N 1.518 122.891 121.300 0.123 0.000 2.900 304 W HA 0.500 4.388 4.660 -1.286 0.000 0.336 304 W C -1.284 175.276 176.519 0.067 0.000 1.064 304 W CA -0.698 56.724 57.345 0.129 0.000 1.237 304 W CB 1.890 31.484 29.460 0.224 0.000 1.391 304 W HN 0.628 nan 8.180 nan 0.000 0.468 305 N N 1.985 120.366 118.700 -0.531 0.000 2.515 305 N HA 0.309 4.273 4.740 -1.294 0.000 0.279 305 N C -0.439 174.804 175.510 -0.444 0.000 1.164 305 N CA 0.144 52.942 53.050 -0.420 0.000 0.982 305 N CB 1.470 39.684 38.487 -0.454 0.000 1.170 305 N HN 0.302 nan 8.380 nan 0.000 0.474 306 S N 0.720 116.273 115.700 -0.245 0.000 2.501 306 S HA 0.637 4.331 4.470 -1.294 0.000 0.301 306 S C -0.878 173.668 174.600 -0.090 0.000 1.096 306 S CA -0.914 57.266 58.200 -0.032 0.000 1.063 306 S CB 0.608 63.782 63.200 -0.044 0.000 1.042 306 S HN 0.351 nan 8.310 nan 0.000 0.494 307 L N 3.524 124.754 121.223 0.012 0.000 2.349 307 L HA 0.772 4.336 4.340 -1.294 0.000 0.278 307 L C -1.019 175.848 176.870 -0.004 0.000 0.996 307 L CA -0.717 53.976 54.840 -0.244 0.000 0.825 307 L CB 1.152 42.950 42.059 -0.436 0.000 1.243 307 L HN 0.888 nan 8.230 nan 0.000 0.412 308 F N -0.577 119.150 119.950 -0.370 0.000 2.678 308 F HA 0.478 4.263 4.527 -1.236 0.000 0.308 308 F C -0.919 174.799 175.800 -0.138 0.000 1.118 308 F CA -1.233 56.647 58.000 -0.200 0.000 0.959 308 F CB 0.947 39.842 39.000 -0.174 0.000 1.305 308 F HN 0.350 nan 8.300 nan 0.000 0.443 309 W N 0.759 122.139 121.300 0.134 0.000 2.777 309 W HA 0.230 3.975 4.660 -1.524 0.000 0.260 309 W C -0.153 176.396 176.519 0.051 0.000 1.194 309 W CA 0.507 57.914 57.345 0.104 0.000 1.447 309 W CB 0.448 30.026 29.460 0.197 0.000 1.009 309 W HN 0.729 nan 8.180 nan 0.000 0.613 310 N N 0.300 119.232 118.700 0.386 0.000 2.934 310 N HA 0.363 4.327 4.740 -1.294 0.000 0.253 310 N C -1.040 174.436 175.510 -0.057 0.000 1.466 310 N CA -0.719 52.406 53.050 0.124 0.000 0.858 310 N CB 0.788 39.275 38.487 0.001 0.000 1.459 310 N HN -0.012 nan 8.380 nan 0.000 0.532 311 N N -3.221 115.220 118.700 -0.433 0.000 3.526 311 N HA 0.204 4.167 4.740 -1.294 0.000 0.328 311 N C 0.133 174.924 175.510 -1.197 0.000 1.601 311 N CA -0.587 51.970 53.050 -0.821 0.000 0.834 311 N CB -0.082 38.207 38.487 -0.330 0.000 1.983 311 N HN 0.681 nan 8.380 nan 0.000 0.579 312 H N -1.657 116.882 119.070 -0.884 0.000 2.559 312 H HA 0.186 3.968 4.556 -1.290 0.000 0.273 312 H C -0.684 174.433 175.328 -0.353 0.000 1.000 312 H CA 0.922 56.629 56.048 -0.569 0.000 1.195 312 H CB -0.216 29.380 29.762 -0.276 0.000 1.368 312 H HN 0.514 nan 8.280 nan 0.000 0.592 313 D N 0.487 120.435 120.400 -0.754 0.000 2.398 313 D HA 0.248 4.112 4.640 -1.294 0.000 0.210 313 D C 0.483 176.609 176.300 -0.290 0.000 1.094 313 D CA -0.010 53.696 54.000 -0.489 0.000 0.839 313 D CB 1.260 41.794 40.800 -0.442 0.000 0.963 313 D HN 0.294 nan 8.370 nan 0.000 0.506 314 L N 1.200 122.243 121.223 -0.299 0.000 2.301 314 L HA 0.435 3.999 4.340 -1.294 0.000 0.264 314 L C -2.355 174.376 176.870 -0.232 0.000 1.016 314 L CA -2.169 52.538 54.840 -0.222 0.000 0.821 314 L CB 2.373 44.341 42.059 -0.152 0.000 1.346 314 L HN -0.301 nan 8.230 nan 0.000 0.429 315 P HA 0.120 nan 4.420 nan 0.000 0.271 315 P C -1.000 176.186 177.300 -0.190 0.000 1.218 315 P CA -0.361 62.619 63.100 -0.200 0.000 0.780 315 P CB 0.584 32.137 31.700 -0.245 0.000 0.901 316 R N 1.257 121.681 120.500 -0.126 0.000 2.570 316 R HA 0.021 3.585 4.340 -1.294 0.000 0.277 316 R C 1.575 177.797 176.300 -0.131 0.000 1.039 316 R CA -0.301 55.750 56.100 -0.082 0.000 1.065 316 R CB 0.213 30.492 30.300 -0.034 0.000 0.964 316 R HN 0.316 nan 8.270 nan 0.000 0.428 317 V N 5.156 125.009 119.914 -0.103 0.000 2.317 317 V HA -0.284 3.059 4.120 -1.294 0.000 0.251 317 V C 2.000 177.996 176.094 -0.164 0.000 1.065 317 V CA 1.928 64.131 62.300 -0.162 0.000 1.049 317 V CB -0.321 31.415 31.823 -0.145 0.000 0.651 317 V HN 0.710 nan 8.190 nan 0.000 0.450 318 L N -0.470 120.673 121.223 -0.133 0.000 2.046 318 L HA -0.152 3.412 4.340 -1.294 0.000 0.208 318 L C 2.617 179.421 176.870 -0.110 0.000 1.077 318 L CA 2.027 56.784 54.840 -0.137 0.000 0.747 318 L CB -0.595 41.390 42.059 -0.122 0.000 0.896 318 L HN 0.338 nan 8.230 nan 0.000 0.432 319 S N -0.428 115.205 115.700 -0.112 0.000 2.402 319 S HA -0.121 3.573 4.470 -1.294 0.000 0.229 319 S C 1.762 176.296 174.600 -0.110 0.000 1.021 319 S CA 1.107 59.245 58.200 -0.104 0.000 0.974 319 S CB -0.042 63.090 63.200 -0.113 0.000 0.800 319 S HN 0.288 nan 8.310 nan 0.000 0.484 320 I N -0.677 119.788 120.570 -0.175 0.000 2.556 320 I HA 0.128 3.522 4.170 -1.294 0.000 0.251 320 I C 0.746 176.855 176.117 -0.013 0.000 1.105 320 I CA 1.030 62.191 61.300 -0.232 0.000 1.436 320 I CB 0.085 37.742 38.000 -0.573 0.000 1.139 320 I HN 0.273 nan 8.210 nan 0.000 0.438 321 W N 0.521 121.785 121.300 -0.060 0.000 2.870 321 W HA 0.538 5.316 4.660 0.198 0.000 0.358 321 W C 0.967 177.479 176.519 -0.012 0.000 1.043 321 W CA 0.022 57.346 57.345 -0.036 0.000 1.692 321 W CB -0.947 28.452 29.460 -0.103 0.000 1.100 321 W HN 0.093 nan 8.180 nan 0.000 0.557 322 G N 0.483 109.329 108.800 0.076 0.000 2.890 322 G HA2 0.238 3.422 3.960 -1.294 0.000 0.189 322 G HA3 0.238 3.422 3.960 -1.294 0.000 0.189 322 G C -0.744 174.067 174.900 -0.147 0.000 1.342 322 G CA -0.428 44.572 45.100 -0.167 0.000 1.026 322 G HN -0.100 nan 8.290 nan 0.000 0.579 323 N N -0.389 118.089 118.700 -0.370 0.000 2.354 323 N HA 0.252 4.216 4.740 -1.294 0.000 0.287 323 N C 0.318 175.737 175.510 -0.153 0.000 1.016 323 N CA -0.102 52.842 53.050 -0.177 0.000 0.871 323 N CB 1.916 40.276 38.487 -0.211 0.000 1.299 323 N HN 0.431 nan 8.380 nan 0.000 0.482 324 T N -0.329 114.179 114.554 -0.076 0.000 3.092 324 T HA 0.326 3.900 4.350 -1.294 0.000 0.258 324 T C 0.957 175.615 174.700 -0.070 0.000 1.031 324 T CA -0.065 61.987 62.100 -0.080 0.000 0.925 324 T CB 0.511 69.338 68.868 -0.070 0.000 1.036 324 T HN 0.406 nan 8.240 nan 0.000 0.544 325 G N 1.463 110.227 108.800 -0.060 0.000 3.345 325 G HA2 0.277 3.461 3.960 -1.294 0.000 0.202 325 G HA3 0.277 3.461 3.960 -1.294 0.000 0.202 325 G C 0.878 175.709 174.900 -0.116 0.000 1.740 325 G CA -0.243 44.813 45.100 -0.074 0.000 0.806 325 G HN 0.239 nan 8.290 nan 0.000 0.718 326 K N -0.870 119.417 120.400 -0.188 0.000 2.160 326 K HA -0.099 3.445 4.320 -1.294 0.000 0.206 326 K C 0.764 177.128 176.600 -0.395 0.000 1.047 326 K CA 1.328 57.404 56.287 -0.353 0.000 0.930 326 K CB -0.211 31.949 32.500 -0.567 0.000 0.720 326 K HN 0.412 nan 8.250 nan 0.000 0.450 327 Y N 0.187 120.464 120.300 -0.038 0.000 2.751 327 Y HA 0.258 4.031 4.550 -1.296 0.000 0.289 327 Y C 1.380 177.134 175.900 -0.243 0.000 1.110 327 Y CA -0.614 57.423 58.100 -0.104 0.000 1.251 327 Y CB 0.103 38.516 38.460 -0.078 0.000 1.178 327 Y HN 0.006 nan 8.280 nan 0.000 0.540 328 R N 1.018 121.472 120.500 -0.076 0.000 2.103 328 R HA -0.211 3.353 4.340 -1.294 0.000 0.234 328 R C 1.578 177.811 176.300 -0.112 0.000 1.132 328 R CA 2.428 58.456 56.100 -0.121 0.000 0.925 328 R CB 0.038 30.289 30.300 -0.083 0.000 0.842 328 R HN 0.463 nan 8.270 nan 0.000 0.430 329 E N 0.090 120.266 120.200 -0.039 0.000 2.058 329 E HA -0.252 3.322 4.350 -1.294 0.000 0.194 329 E C 2.119 178.717 176.600 -0.002 0.000 0.997 329 E CA 1.467 57.868 56.400 0.002 0.000 0.801 329 E CB -0.075 29.651 29.700 0.043 0.000 0.746 329 E HN 0.307 nan 8.360 nan 0.000 0.450 330 K N 0.727 121.137 120.400 0.017 0.000 2.057 330 K HA -0.151 3.393 4.320 -1.294 0.000 0.207 330 K C 2.395 178.956 176.600 -0.065 0.000 1.049 330 K CA 1.614 57.927 56.287 0.044 0.000 0.931 330 K CB -0.035 32.556 32.500 0.151 0.000 0.714 330 K HN 0.090 nan 8.250 nan 0.000 0.440 331 S N 0.278 115.751 115.700 -0.378 0.000 2.383 331 S HA -0.102 3.592 4.470 -1.294 0.000 0.227 331 S C 2.197 176.571 174.600 -0.377 0.000 1.026 331 S CA 0.917 58.633 58.200 -0.807 0.000 0.981 331 S CB -0.361 61.782 63.200 -1.762 0.000 0.818 331 S HN 0.370 nan 8.310 nan 0.000 0.472 332 A N 2.478 125.155 122.820 -0.238 0.000 1.877 332 A HA -0.085 3.459 4.320 -1.294 0.000 0.216 332 A C 2.277 179.852 177.584 -0.015 0.000 1.186 332 A CA 1.690 53.675 52.037 -0.087 0.000 0.620 332 A CB -0.643 18.355 19.000 -0.003 0.000 0.822 332 A HN 0.619 nan 8.150 nan 0.000 0.443 333 K N -0.335 120.061 120.400 -0.007 0.000 2.057 333 K HA -0.034 3.510 4.320 -1.294 0.000 0.207 333 K C 2.344 178.943 176.600 -0.002 0.000 1.049 333 K CA 1.086 57.364 56.287 -0.015 0.000 0.931 333 K CB -0.355 32.165 32.500 0.032 0.000 0.714 333 K HN 0.433 nan 8.250 nan 0.000 0.440 334 A N 1.567 124.422 122.820 0.058 0.000 1.883 334 A HA -0.158 3.386 4.320 -1.294 0.000 0.217 334 A C 2.143 179.806 177.584 0.133 0.000 1.186 334 A CA 1.392 53.510 52.037 0.135 0.000 0.624 334 A CB -0.713 18.474 19.000 0.312 0.000 0.822 334 A HN 0.167 nan 8.150 nan 0.000 0.444 335 L N -0.989 120.281 121.223 0.079 0.000 2.141 335 L HA -0.151 3.413 4.340 -1.294 0.000 0.209 335 L C 3.065 180.153 176.870 0.363 0.000 1.094 335 L CA 0.869 55.754 54.840 0.075 0.000 0.763 335 L CB -0.521 41.333 42.059 -0.342 0.000 0.908 335 L HN 0.449 nan 8.230 nan 0.000 0.437 336 A N 0.475 123.379 122.820 0.140 0.000 1.873 336 A HA -0.162 3.382 4.320 -1.294 0.000 0.215 336 A C 2.212 179.795 177.584 -0.003 0.000 1.186 336 A CA 1.428 53.435 52.037 -0.049 0.000 0.616 336 A CB -0.599 17.904 19.000 -0.830 0.000 0.823 336 A HN 0.314 nan 8.150 nan 0.000 0.442 337 I N -0.652 119.915 120.570 -0.006 0.000 2.226 337 I HA -0.227 3.167 4.170 -1.294 0.000 0.245 337 I C 2.436 178.651 176.117 0.163 0.000 1.100 337 I CA 1.186 62.517 61.300 0.052 0.000 1.374 337 I CB -0.307 37.717 38.000 0.041 0.000 1.057 337 I HN 0.406 nan 8.210 nan 0.000 0.413 338 L N 0.623 121.971 121.223 0.209 0.000 2.012 338 L HA -0.222 3.341 4.340 -1.294 0.000 0.210 338 L C 2.212 179.227 176.870 0.241 0.000 1.073 338 L CA 1.927 56.913 54.840 0.242 0.000 0.748 338 L CB -0.760 41.421 42.059 0.203 0.000 0.891 338 L HN 0.170 nan 8.230 nan 0.000 0.431 339 L N -1.053 120.322 121.223 0.253 0.000 2.049 339 L HA -0.142 3.422 4.340 -1.294 0.000 0.203 339 L C 2.562 179.401 176.870 -0.051 0.000 1.074 339 L CA 1.624 56.415 54.840 -0.083 0.000 0.749 339 L CB -0.839 41.030 42.059 -0.317 0.000 0.907 339 L HN 0.400 nan 8.230 nan 0.000 0.439 340 H N -0.623 118.425 119.070 -0.036 0.000 2.518 340 H HA -0.017 3.757 4.556 -1.304 0.000 0.289 340 H C 1.601 176.921 175.328 -0.014 0.000 1.051 340 H CA 1.083 57.108 56.048 -0.038 0.000 1.280 340 H CB 0.099 29.849 29.762 -0.021 0.000 1.380 340 H HN 0.342 nan 8.280 nan 0.000 0.566 341 L N 0.609 121.951 121.223 0.199 0.000 2.611 341 L HA 0.114 3.677 4.340 -1.294 0.000 0.229 341 L C 0.689 177.758 176.870 0.332 0.000 1.137 341 L CA -0.097 54.891 54.840 0.248 0.000 0.901 341 L CB 0.022 42.281 42.059 0.333 0.000 1.098 341 L HN 0.154 nan 8.230 nan 0.000 0.456 342 M N -0.597 119.077 119.600 0.124 0.000 2.363 342 M HA 0.271 3.975 4.480 -1.294 0.000 0.280 342 M C 0.486 176.720 176.300 -0.110 0.000 1.182 342 M CA -0.320 54.971 55.300 -0.015 0.000 0.974 342 M CB 0.964 33.343 32.600 -0.368 0.000 1.452 342 M HN -0.045 nan 8.290 nan 0.000 0.507 343 R N 0.338 120.718 120.500 -0.199 0.000 2.221 343 R HA 0.540 4.104 4.340 -1.294 0.000 0.327 343 R C -0.536 175.406 176.300 -0.596 0.000 1.033 343 R CA 0.303 56.229 56.100 -0.289 0.000 0.887 343 R CB 0.340 30.514 30.300 -0.210 0.000 1.057 343 R HN 0.882 nan 8.270 nan 0.000 0.455 344 G N 1.354 109.734 108.800 -0.700 0.000 2.362 344 G HA2 -0.058 3.126 3.960 -1.294 0.000 0.288 344 G HA3 -0.058 3.126 3.960 -1.294 0.000 0.288 344 G C -1.413 173.363 174.900 -0.207 0.000 1.305 344 G CA -0.883 43.657 45.100 -0.932 0.000 0.910 344 G HN 0.403 nan 8.290 nan 0.000 0.518 345 T N 3.591 118.154 114.554 0.015 0.000 2.753 345 T HA 0.630 4.204 4.350 -1.294 0.000 0.297 345 T C -2.376 172.333 174.700 0.014 0.000 0.981 345 T CA -0.747 61.456 62.100 0.172 0.000 0.956 345 T CB 1.819 70.885 68.868 0.329 0.000 0.936 345 T HN 0.491 nan 8.240 nan 0.000 0.463 346 P HA 0.328 nan 4.420 nan 0.000 0.282 346 P C -1.427 175.800 177.300 -0.121 0.000 1.249 346 P CA -0.600 62.379 63.100 -0.202 0.000 0.806 346 P CB 0.777 32.046 31.700 -0.719 0.000 0.984 347 Y N 1.260 121.609 120.300 0.081 0.000 2.350 347 Y HA 0.459 4.231 4.550 -1.297 0.000 0.338 347 Y C 0.557 176.597 175.900 0.234 0.000 0.961 347 Y CA -0.666 57.559 58.100 0.209 0.000 1.100 347 Y CB 1.527 40.153 38.460 0.278 0.000 1.179 347 Y HN 0.147 nan 8.280 nan 0.000 0.454 348 I N 4.122 124.868 120.570 0.293 0.000 2.354 348 I HA 0.183 3.577 4.170 -1.294 0.000 0.292 348 I C -0.910 175.179 176.117 -0.048 0.000 0.989 348 I CA -1.049 60.356 61.300 0.174 0.000 1.188 348 I CB 1.051 39.120 38.000 0.116 0.000 1.342 348 I HN 0.506 nan 8.210 nan 0.000 0.457 349 Y N 6.488 126.703 120.300 -0.143 0.000 2.304 349 Y HA 0.180 3.960 4.550 -1.282 0.000 0.328 349 Y C 0.418 176.085 175.900 -0.388 0.000 1.123 349 Y CA -0.907 57.039 58.100 -0.257 0.000 1.218 349 Y CB 0.876 39.271 38.460 -0.108 0.000 1.207 349 Y HN 0.582 nan 8.280 nan 0.000 0.495 350 Q N 4.188 123.338 119.800 -1.084 0.000 2.398 350 Q HA 0.222 3.786 4.340 -1.294 0.000 0.329 350 Q C 0.904 176.658 176.000 -0.410 0.000 1.079 350 Q CA 0.889 56.298 55.803 -0.656 0.000 1.041 350 Q CB -0.021 28.544 28.738 -0.289 0.000 1.084 350 Q HN 1.113 nan 8.270 nan 0.000 0.386 351 G N 2.188 110.889 108.800 -0.165 0.000 2.268 351 G HA2 -0.414 2.770 3.960 -1.294 0.000 0.240 351 G HA3 -0.414 2.770 3.960 -1.294 0.000 0.240 351 G C 0.740 175.583 174.900 -0.095 0.000 1.010 351 G CA 0.344 45.358 45.100 -0.144 0.000 0.618 351 G HN 0.791 nan 8.290 nan 0.000 0.516 352 E N 1.014 121.152 120.200 -0.104 0.000 2.110 352 E HA -0.182 3.391 4.350 -1.294 0.000 0.193 352 E C 2.273 178.737 176.600 -0.228 0.000 0.988 352 E CA 1.512 57.861 56.400 -0.085 0.000 0.804 352 E CB -0.177 29.504 29.700 -0.031 0.000 0.745 352 E HN 0.683 nan 8.360 nan 0.000 0.458 353 E N 1.223 121.215 120.200 -0.347 0.000 2.472 353 E HA -0.168 3.406 4.350 -1.294 0.000 0.200 353 E C 1.775 178.375 176.600 -0.000 0.000 1.046 353 E CA 0.968 57.116 56.400 -0.420 0.000 0.871 353 E CB -0.340 29.210 29.700 -0.250 0.000 0.806 353 E HN 0.661 nan 8.360 nan 0.000 0.533 354 I N -4.597 115.982 120.570 0.016 0.000 4.240 354 I HA 0.496 3.890 4.170 -1.294 0.000 0.331 354 I C 0.981 177.112 176.117 0.025 0.000 1.381 354 I CA -0.013 61.319 61.300 0.053 0.000 1.136 354 I CB 0.693 38.695 38.000 0.005 0.000 1.137 354 I HN -0.008 nan 8.210 nan 0.000 0.411 355 G N 2.755 111.563 108.800 0.014 0.000 2.256 355 G HA2 -0.239 2.945 3.960 -1.294 0.000 0.272 355 G HA3 -0.239 2.945 3.960 -1.294 0.000 0.272 355 G C 0.030 174.914 174.900 -0.028 0.000 1.076 355 G CA 0.179 45.280 45.100 0.002 0.000 0.882 355 G HN 0.406 nan 8.290 nan 0.000 0.497 356 M N 0.174 119.752 119.600 -0.037 0.000 2.167 356 M HA 0.464 4.168 4.480 -1.294 0.000 0.300 356 M C 1.321 177.596 176.300 -0.042 0.000 1.171 356 M CA 1.147 56.419 55.300 -0.046 0.000 1.171 356 M CB 0.502 33.067 32.600 -0.058 0.000 1.396 356 M HN 0.626 nan 8.290 nan 0.000 0.466 357 T N -2.104 112.421 114.554 -0.048 0.000 2.742 357 T HA 0.471 4.045 4.350 -1.294 0.000 0.282 357 T C -0.245 174.426 174.700 -0.049 0.000 1.025 357 T CA -1.170 60.895 62.100 -0.058 0.000 1.020 357 T CB 0.824 69.645 68.868 -0.078 0.000 1.317 357 T HN 0.522 nan 8.240 nan 0.000 0.538 358 N N -0.071 118.592 118.700 -0.061 0.000 2.371 358 N HA 0.309 4.273 4.740 -1.294 0.000 0.243 358 N C -1.270 174.196 175.510 -0.073 0.000 1.287 358 N CA -0.273 52.753 53.050 -0.039 0.000 0.911 358 N CB -0.122 38.337 38.487 -0.048 0.000 1.142 358 N HN 0.685 nan 8.380 nan 0.000 0.451 359 Y N 1.428 121.573 120.300 -0.257 0.000 2.360 359 Y HA 0.379 4.151 4.550 -1.298 0.000 0.337 359 Y C -2.052 173.516 175.900 -0.554 0.000 1.039 359 Y CA -2.292 55.500 58.100 -0.514 0.000 1.109 359 Y CB 1.584 39.500 38.460 -0.906 0.000 1.201 359 Y HN 0.456 nan 8.280 nan 0.000 0.458 360 P HA 0.054 nan 4.420 nan 0.000 0.230 360 P C -1.006 176.124 177.300 -0.282 0.000 1.791 360 P CA 0.217 63.021 63.100 -0.493 0.000 1.020 360 P CB -0.942 30.465 31.700 -0.488 0.000 1.977 361 F N 1.551 121.613 119.950 0.188 0.000 2.578 361 F HA 0.060 3.807 4.527 -1.300 0.000 0.376 361 F C 1.937 177.796 175.800 0.098 0.000 1.085 361 F CA 0.489 58.630 58.000 0.234 0.000 1.260 361 F CB 0.521 39.615 39.000 0.156 0.000 1.095 361 F HN 0.089 nan 8.300 nan 0.000 0.573 362 K N 0.677 121.238 120.400 0.268 0.000 2.276 362 K HA 0.074 3.618 4.320 -1.294 0.000 0.198 362 K C -0.400 176.268 176.600 0.114 0.000 1.052 362 K CA 0.795 57.168 56.287 0.142 0.000 0.984 362 K CB 0.110 32.668 32.500 0.097 0.000 0.836 362 K HN 0.753 nan 8.250 nan 0.000 0.490 363 D N -1.953 118.517 120.400 0.118 0.000 2.626 363 D HA 0.084 3.948 4.640 -1.294 0.000 0.278 363 D C 0.379 176.687 176.300 0.013 0.000 1.211 363 D CA -0.772 53.257 54.000 0.048 0.000 0.903 363 D CB 0.479 41.293 40.800 0.022 0.000 1.408 363 D HN -0.317 nan 8.370 nan 0.000 0.454 364 L N 0.640 121.838 121.223 -0.041 0.000 2.042 364 L HA -0.042 3.522 4.340 -1.294 0.000 0.210 364 L C 1.917 178.740 176.870 -0.078 0.000 1.076 364 L CA 1.810 56.600 54.840 -0.083 0.000 0.749 364 L CB -1.389 40.601 42.059 -0.115 0.000 0.893 364 L HN 0.704 nan 8.230 nan 0.000 0.432 365 N N -0.307 118.362 118.700 -0.051 0.000 2.205 365 N HA -0.252 3.712 4.740 -1.294 0.000 0.186 365 N C 1.782 177.274 175.510 -0.030 0.000 1.015 365 N CA 1.258 54.286 53.050 -0.037 0.000 0.862 365 N CB -0.056 38.419 38.487 -0.020 0.000 0.986 365 N HN 0.426 nan 8.380 nan 0.000 0.429 366 E N -0.904 119.291 120.200 -0.008 0.000 2.482 366 E HA 0.014 3.588 4.350 -1.294 0.000 0.196 366 E C -0.096 176.445 176.600 -0.098 0.000 1.047 366 E CA -0.006 56.408 56.400 0.023 0.000 0.869 366 E CB 0.166 29.974 29.700 0.180 0.000 0.836 366 E HN 0.389 nan 8.360 nan 0.000 0.520 367 L N -0.188 120.912 121.223 -0.205 0.000 2.431 367 L HA 0.222 3.786 4.340 -1.294 0.000 0.260 367 L C 1.062 177.816 176.870 -0.194 0.000 1.098 367 L CA -0.233 54.391 54.840 -0.359 0.000 0.800 367 L CB 0.814 42.649 42.059 -0.373 0.000 1.210 367 L HN -0.007 nan 8.230 nan 0.000 0.465 368 D N -1.106 119.189 120.400 -0.174 0.000 2.218 368 D HA -0.067 3.797 4.640 -1.294 0.000 0.307 368 D C -0.040 176.269 176.300 0.015 0.000 1.086 368 D CA -0.098 53.892 54.000 -0.017 0.000 0.886 368 D CB 0.653 41.516 40.800 0.105 0.000 1.645 368 D HN 0.571 nan 8.370 nan 0.000 0.523 369 D N 1.959 122.337 120.400 -0.036 0.000 2.434 369 D HA -0.039 3.825 4.640 -1.294 0.000 0.252 369 D C 1.612 177.860 176.300 -0.086 0.000 1.185 369 D CA -0.040 53.940 54.000 -0.034 0.000 0.886 369 D CB 0.394 41.157 40.800 -0.061 0.000 1.148 369 D HN 0.241 nan 8.370 nan 0.000 0.483 370 I N 3.284 123.798 120.570 -0.095 0.000 2.248 370 I HA -0.251 3.143 4.170 -1.294 0.000 0.248 370 I C 1.879 177.873 176.117 -0.206 0.000 1.107 370 I CA 1.351 62.582 61.300 -0.116 0.000 1.373 370 I CB 0.065 38.021 38.000 -0.073 0.000 1.055 370 I HN 0.605 nan 8.210 nan 0.000 0.418 371 E N 0.175 120.132 120.200 -0.405 0.000 2.085 371 E HA -0.226 3.347 4.350 -1.294 0.000 0.194 371 E C 2.176 178.768 176.600 -0.014 0.000 0.994 371 E CA 1.756 57.942 56.400 -0.357 0.000 0.801 371 E CB 0.018 29.441 29.700 -0.463 0.000 0.743 371 E HN 0.496 nan 8.360 nan 0.000 0.453 372 S N 0.455 116.150 115.700 -0.008 0.000 2.368 372 S HA -0.064 3.630 4.470 -1.294 0.000 0.224 372 S C 1.960 176.511 174.600 -0.081 0.000 1.029 372 S CA 0.721 58.910 58.200 -0.019 0.000 0.988 372 S CB -0.128 63.052 63.200 -0.034 0.000 0.838 372 S HN 0.261 nan 8.310 nan 0.000 0.462 373 L N 1.508 122.679 121.223 -0.086 0.000 2.093 373 L HA -0.111 3.452 4.340 -1.294 0.000 0.208 373 L C 2.102 178.922 176.870 -0.084 0.000 1.085 373 L CA 0.846 55.630 54.840 -0.093 0.000 0.755 373 L CB -0.638 41.376 42.059 -0.076 0.000 0.904 373 L HN 0.234 nan 8.230 nan 0.000 0.435 374 N N -0.516 118.158 118.700 -0.044 0.000 2.142 374 N HA -0.218 3.746 4.740 -1.294 0.000 0.186 374 N C 1.704 177.189 175.510 -0.041 0.000 1.023 374 N CA 1.179 54.223 53.050 -0.010 0.000 0.852 374 N CB -0.400 38.125 38.487 0.064 0.000 0.998 374 N HN 0.392 nan 8.380 nan 0.000 0.424 375 Y N 1.189 121.368 120.300 -0.203 0.000 2.145 375 Y HA -0.120 3.659 4.550 -1.285 0.000 0.286 375 Y C 2.201 177.894 175.900 -0.345 0.000 1.145 375 Y CA 1.870 59.746 58.100 -0.374 0.000 1.148 375 Y CB -0.391 37.521 38.460 -0.913 0.000 0.981 375 Y HN 0.053 nan 8.280 nan 0.000 0.507 376 A N 0.983 123.483 122.820 -0.533 0.000 1.883 376 A HA -0.250 3.294 4.320 -1.294 0.000 0.217 376 A C 2.324 179.712 177.584 -0.325 0.000 1.186 376 A CA 2.083 53.818 52.037 -0.504 0.000 0.624 376 A CB -0.927 17.917 19.000 -0.261 0.000 0.822 376 A HN 0.572 nan 8.150 nan 0.000 0.444 377 K N -0.364 119.909 120.400 -0.211 0.000 2.074 377 K HA -0.244 3.300 4.320 -1.294 0.000 0.209 377 K C 2.116 178.669 176.600 -0.078 0.000 1.048 377 K CA 1.935 58.155 56.287 -0.113 0.000 0.926 377 K CB -0.175 32.279 32.500 -0.076 0.000 0.713 377 K HN 0.667 nan 8.250 nan 0.000 0.444 378 E N -0.474 119.643 120.200 -0.139 0.000 2.107 378 E HA -0.130 3.443 4.350 -1.294 0.000 0.191 378 E C 1.759 178.263 176.600 -0.160 0.000 0.982 378 E CA 0.818 57.151 56.400 -0.112 0.000 0.809 378 E CB -0.071 29.577 29.700 -0.086 0.000 0.756 378 E HN 0.418 nan 8.360 nan 0.000 0.459 379 A N 0.644 123.261 122.820 -0.337 0.000 1.930 379 A HA -0.141 3.403 4.320 -1.294 0.000 0.217 379 A C 1.939 179.428 177.584 -0.159 0.000 1.175 379 A CA 0.948 52.781 52.037 -0.340 0.000 0.627 379 A CB -0.844 17.714 19.000 -0.737 0.000 0.815 379 A HN 0.487 nan 8.150 nan 0.000 0.443 380 F N 2.097 121.894 119.950 -0.256 0.000 2.161 380 F HA -0.184 3.566 4.527 -1.295 0.000 0.300 380 F C 2.379 178.112 175.800 -0.111 0.000 1.089 380 F CA 2.170 60.073 58.000 -0.161 0.000 1.282 380 F CB -0.297 38.616 39.000 -0.144 0.000 1.010 380 F HN 0.315 nan 8.300 nan 0.000 0.485 381 T N -3.435 111.067 114.554 -0.086 0.000 3.144 381 T HA 0.143 3.717 4.350 -1.294 0.000 0.249 381 T C 0.590 175.213 174.700 -0.129 0.000 1.089 381 T CA 0.208 62.227 62.100 -0.136 0.000 0.989 381 T CB -0.647 68.203 68.868 -0.031 0.000 0.992 381 T HN 0.212 nan 8.240 nan 0.000 0.540 382 N N 0.648 119.271 118.700 -0.129 0.000 2.480 382 N HA 0.484 4.448 4.740 -1.294 0.000 0.281 382 N C 1.025 176.478 175.510 -0.095 0.000 1.381 382 N CA 0.169 53.163 53.050 -0.094 0.000 0.903 382 N CB 0.873 39.322 38.487 -0.063 0.000 1.274 382 N HN 0.414 nan 8.380 nan 0.000 0.505 383 G N 0.055 108.774 108.800 -0.134 0.000 2.175 383 G HA2 -0.272 2.912 3.960 -1.294 0.000 0.244 383 G HA3 -0.272 2.912 3.960 -1.294 0.000 0.244 383 G C -0.058 174.784 174.900 -0.096 0.000 0.982 383 G CA -0.175 44.860 45.100 -0.110 0.000 0.641 383 G HN 0.181 nan 8.290 nan 0.000 0.527 384 K N 1.676 122.010 120.400 -0.111 0.000 2.213 384 K HA 0.641 4.185 4.320 -1.294 0.000 0.270 384 K C 0.755 177.325 176.600 -0.050 0.000 1.002 384 K CA 0.229 56.480 56.287 -0.059 0.000 0.868 384 K CB 1.510 33.979 32.500 -0.052 0.000 1.093 384 K HN 0.436 nan 8.250 nan 0.000 0.454 385 S N 2.072 117.772 115.700 0.001 0.000 2.608 385 S HA 0.073 3.767 4.470 -1.294 0.000 0.261 385 S C 1.194 175.881 174.600 0.146 0.000 1.314 385 S CA -0.538 57.698 58.200 0.060 0.000 0.992 385 S CB 0.563 63.793 63.200 0.050 0.000 0.935 385 S HN 0.617 nan 8.310 nan 0.000 0.564 386 M N 0.687 120.417 119.600 0.217 0.000 2.175 386 M HA 0.018 3.722 4.480 -1.294 0.000 0.264 386 M C 1.880 178.232 176.300 0.087 0.000 1.063 386 M CA 1.550 56.934 55.300 0.141 0.000 1.119 386 M CB -1.145 31.504 32.600 0.082 0.000 1.377 386 M HN 0.795 nan 8.290 nan 0.000 0.415 387 E N -0.667 119.586 120.200 0.088 0.000 2.077 387 E HA -0.132 3.442 4.350 -1.294 0.000 0.193 387 E C 1.974 178.634 176.600 0.099 0.000 0.989 387 E CA 1.846 58.295 56.400 0.082 0.000 0.800 387 E CB -0.550 29.192 29.700 0.070 0.000 0.746 387 E HN 0.501 nan 8.360 nan 0.000 0.452 388 T N 1.411 116.024 114.554 0.099 0.000 2.788 388 T HA -0.080 3.494 4.350 -1.294 0.000 0.268 388 T C 2.092 176.888 174.700 0.159 0.000 1.044 388 T CA 0.886 63.058 62.100 0.119 0.000 1.139 388 T CB -0.140 68.784 68.868 0.093 0.000 0.867 388 T HN 0.118 nan 8.240 nan 0.000 0.454 389 I N 0.673 121.319 120.570 0.127 0.000 2.202 389 I HA -0.149 3.245 4.170 -1.294 0.000 0.242 389 I C 2.409 178.628 176.117 0.169 0.000 1.091 389 I CA 0.967 62.353 61.300 0.143 0.000 1.368 389 I CB -0.282 37.718 38.000 -0.000 0.000 1.058 389 I HN 0.196 nan 8.210 nan 0.000 0.410 390 M N -0.142 119.530 119.600 0.119 0.000 2.279 390 M HA -0.212 3.492 4.480 -1.294 0.000 0.264 390 M C 1.966 178.360 176.300 0.157 0.000 1.062 390 M CA 1.457 56.831 55.300 0.123 0.000 1.099 390 M CB -1.308 31.353 32.600 0.101 0.000 1.394 390 M HN 0.356 nan 8.290 nan 0.000 0.426 391 D N -0.231 120.271 120.400 0.171 0.000 2.117 391 D HA -0.093 3.771 4.640 -1.294 0.000 0.198 391 D C 1.551 177.996 176.300 0.241 0.000 0.982 391 D CA 1.228 55.343 54.000 0.192 0.000 0.828 391 D CB 0.451 41.376 40.800 0.208 0.000 0.967 391 D HN 0.247 nan 8.370 nan 0.000 0.464 392 S N 0.406 116.298 115.700 0.320 0.000 2.368 392 S HA -0.066 3.628 4.470 -1.294 0.000 0.224 392 S C 2.221 176.997 174.600 0.294 0.000 1.029 392 S CA 0.477 58.919 58.200 0.403 0.000 0.988 392 S CB -0.111 63.372 63.200 0.472 0.000 0.838 392 S HN 0.338 nan 8.310 nan 0.000 0.462 393 I N 1.265 121.994 120.570 0.266 0.000 2.226 393 I HA -0.173 3.220 4.170 -1.294 0.000 0.245 393 I C 2.593 178.819 176.117 0.182 0.000 1.100 393 I CA 1.118 62.562 61.300 0.240 0.000 1.374 393 I CB -0.281 37.794 38.000 0.125 0.000 1.057 393 I HN 0.182 nan 8.210 nan 0.000 0.413 394 R N -0.271 120.332 120.500 0.172 0.000 2.193 394 R HA -0.121 3.443 4.340 -1.294 0.000 0.229 394 R C 2.115 178.428 176.300 0.021 0.000 1.110 394 R CA 1.094 57.293 56.100 0.165 0.000 0.988 394 R CB -0.056 30.316 30.300 0.120 0.000 0.871 394 R HN 0.342 nan 8.270 nan 0.000 0.458 395 M N -0.692 118.847 119.600 -0.102 0.000 2.429 395 M HA 0.051 3.755 4.480 -1.294 0.000 0.265 395 M C 1.659 177.805 176.300 -0.257 0.000 1.120 395 M CA 1.146 56.257 55.300 -0.315 0.000 1.173 395 M CB 0.263 32.342 32.600 -0.868 0.000 1.343 395 M HN 0.021 nan 8.290 nan 0.000 0.464 396 I N -1.169 119.302 120.570 -0.166 0.000 4.187 396 I HA 0.170 3.563 4.170 -1.294 0.000 0.326 396 I C 1.209 177.233 176.117 -0.155 0.000 1.302 396 I CA 0.169 61.342 61.300 -0.212 0.000 1.196 396 I CB -1.430 36.362 38.000 -0.347 0.000 1.095 396 I HN 0.067 nan 8.210 nan 0.000 0.411 397 G N 1.684 110.520 108.800 0.060 0.000 2.321 397 G HA2 -0.050 3.134 3.960 -1.294 0.000 0.237 397 G HA3 -0.050 3.134 3.960 -1.294 0.000 0.237 397 G C 1.002 175.885 174.900 -0.027 0.000 1.282 397 G CA -0.215 44.942 45.100 0.094 0.000 0.886 397 G HN 0.285 nan 8.290 nan 0.000 0.528 398 R N 1.303 121.767 120.500 -0.059 0.000 2.189 398 R HA -0.064 3.500 4.340 -1.294 0.000 0.223 398 R C 1.251 177.503 176.300 -0.081 0.000 1.092 398 R CA 1.039 57.075 56.100 -0.108 0.000 0.989 398 R CB 0.113 30.341 30.300 -0.120 0.000 0.876 398 R HN 0.543 nan 8.270 nan 0.000 0.457 399 D N 0.556 120.909 120.400 -0.078 0.000 2.310 399 D HA -0.096 3.768 4.640 -1.294 0.000 0.212 399 D C 1.062 177.444 176.300 0.137 0.000 0.965 399 D CA 0.917 54.878 54.000 -0.065 0.000 0.879 399 D CB -0.197 40.401 40.800 -0.336 0.000 0.921 399 D HN 0.305 nan 8.370 nan 0.000 0.510 400 N N 0.423 119.236 118.700 0.188 0.000 2.289 400 N HA -0.099 3.865 4.740 -1.294 0.000 0.184 400 N C 1.492 177.042 175.510 0.067 0.000 1.016 400 N CA 1.049 54.221 53.050 0.204 0.000 0.872 400 N CB 0.095 38.654 38.487 0.120 0.000 0.973 400 N HN 0.079 nan 8.380 nan 0.000 0.433 401 A N 0.082 122.905 122.820 0.004 0.000 2.308 401 A HA 0.195 3.739 4.320 -1.294 0.000 0.217 401 A C 1.448 179.076 177.584 0.072 0.000 1.216 401 A CA 0.053 52.108 52.037 0.030 0.000 0.864 401 A CB 0.244 19.147 19.000 -0.162 0.000 0.902 401 A HN 0.151 nan 8.150 nan 0.000 0.499 402 R N 0.373 120.869 120.500 -0.006 0.000 2.472 402 R HA 0.103 3.667 4.340 -1.294 0.000 0.279 402 R C 0.222 176.515 176.300 -0.012 0.000 0.953 402 R CA 0.529 56.644 56.100 0.025 0.000 1.088 402 R CB 0.219 30.553 30.300 0.058 0.000 1.197 402 R HN 0.497 nan 8.270 nan 0.000 0.536 403 T N -0.331 114.164 114.554 -0.099 0.000 2.898 403 T HA 0.232 3.806 4.350 -1.294 0.000 0.301 403 T C -2.386 172.172 174.700 -0.237 0.000 1.049 403 T CA -1.798 60.156 62.100 -0.244 0.000 1.095 403 T CB 1.038 69.775 68.868 -0.218 0.000 0.976 403 T HN -0.199 nan 8.240 nan 0.000 0.539 404 P HA 0.066 nan 4.420 nan 0.000 0.263 404 P C -0.116 176.929 177.300 -0.425 0.000 1.175 404 P CA -0.297 62.379 63.100 -0.706 0.000 0.761 404 P CB 0.202 31.180 31.700 -1.203 0.000 0.794 405 M N 3.556 122.951 119.600 -0.342 0.000 2.251 405 M HA -0.046 3.658 4.480 -1.294 0.000 0.343 405 M C -0.165 175.847 176.300 -0.480 0.000 1.245 405 M CA 1.118 56.181 55.300 -0.395 0.000 1.061 405 M CB -0.209 32.119 32.600 -0.454 0.000 1.723 405 M HN 0.263 nan 8.290 nan 0.000 0.449 406 Q N 4.216 123.715 119.800 -0.502 0.000 2.421 406 Q HA 0.148 3.712 4.340 -1.294 0.000 0.242 406 Q C -0.407 175.338 176.000 -0.425 0.000 1.024 406 Q CA -0.043 55.568 55.803 -0.320 0.000 0.891 406 Q CB 0.482 29.140 28.738 -0.133 0.000 1.222 406 Q HN 0.917 nan 8.270 nan 0.000 0.483 407 W N 1.772 123.013 121.300 -0.099 0.000 2.539 407 W HA -0.027 3.861 4.660 -1.286 0.000 0.281 407 W C 0.477 176.940 176.519 -0.094 0.000 1.220 407 W CA 0.459 57.714 57.345 -0.150 0.000 1.332 407 W CB 0.572 29.924 29.460 -0.180 0.000 1.095 407 W HN 0.648 nan 8.180 nan 0.000 0.571 408 D N -3.288 117.218 120.400 0.176 0.000 2.970 408 D HA 0.354 4.218 4.640 -1.294 0.000 0.344 408 D C 0.056 176.480 176.300 0.207 0.000 1.365 408 D CA -0.328 53.755 54.000 0.138 0.000 0.910 408 D CB 0.210 41.074 40.800 0.107 0.000 1.445 408 D HN -0.216 nan 8.370 nan 0.000 0.532 409 A N -0.511 122.419 122.820 0.184 0.000 2.379 409 A HA 0.467 4.011 4.320 -1.294 0.000 0.236 409 A C 0.845 178.598 177.584 0.282 0.000 1.272 409 A CA 0.462 52.656 52.037 0.261 0.000 0.886 409 A CB -1.024 18.037 19.000 0.100 0.000 0.962 409 A HN 0.606 nan 8.150 nan 0.000 0.504 410 S N -0.703 115.108 115.700 0.185 0.000 2.632 410 S HA 0.299 3.993 4.470 -1.294 0.000 0.267 410 S C 0.387 175.045 174.600 0.096 0.000 1.193 410 S CA -0.411 57.861 58.200 0.120 0.000 1.003 410 S CB -0.034 63.202 63.200 0.060 0.000 1.073 410 S HN 0.547 nan 8.310 nan 0.000 0.553 411 Q N 0.471 120.300 119.800 0.048 0.000 2.315 411 Q HA 0.015 3.579 4.340 -1.294 0.000 0.289 411 Q C -0.267 175.694 176.000 -0.065 0.000 1.044 411 Q CA 0.931 56.737 55.803 0.006 0.000 0.920 411 Q CB -0.609 28.138 28.738 0.014 0.000 1.214 411 Q HN 0.829 nan 8.270 nan 0.000 0.392 412 N N 2.612 121.219 118.700 -0.156 0.000 2.714 412 N HA -0.323 3.640 4.740 -1.294 0.000 0.250 412 N C -0.047 175.340 175.510 -0.205 0.000 1.117 412 N CA 0.148 53.108 53.050 -0.151 0.000 0.719 412 N CB -1.197 37.328 38.487 0.063 0.000 1.081 412 N HN 0.920 nan 8.380 nan 0.000 0.557 413 A N -1.778 120.770 122.820 -0.454 0.000 2.826 413 A HA -0.069 3.475 4.320 -1.294 0.000 0.274 413 A C 1.668 179.295 177.584 0.072 0.000 1.443 413 A CA 1.826 53.718 52.037 -0.241 0.000 0.833 413 A CB -2.052 16.777 19.000 -0.284 0.000 1.023 413 A HN 1.895 nan 8.150 nan 0.000 0.600 414 G N -3.196 105.646 108.800 0.071 0.000 2.162 414 G HA2 -0.299 2.885 3.960 -1.294 0.000 0.260 414 G HA3 -0.299 2.885 3.960 -1.294 0.000 0.260 414 G C 0.661 175.646 174.900 0.141 0.000 0.976 414 G CA 1.199 46.356 45.100 0.095 0.000 0.655 414 G HN 1.976 nan 8.290 nan 0.000 0.533 415 F N 1.374 121.370 119.950 0.077 0.000 2.293 415 F HA 0.544 4.297 4.527 -1.290 0.000 0.297 415 F C 1.100 176.918 175.800 0.030 0.000 1.089 415 F CA 1.589 59.657 58.000 0.113 0.000 1.377 415 F CB 0.364 39.436 39.000 0.121 0.000 1.051 415 F HN 0.499 nan 8.300 nan 0.000 0.511 416 S N -1.652 113.960 115.700 -0.148 0.000 2.587 416 S HA 0.333 4.027 4.470 -1.294 0.000 0.269 416 S C 0.279 174.828 174.600 -0.084 0.000 1.154 416 S CA -0.027 58.026 58.200 -0.245 0.000 0.824 416 S CB 0.895 63.920 63.200 -0.291 0.000 1.118 416 S HN 0.235 nan 8.310 nan 0.000 0.462 417 T N 0.134 114.636 114.554 -0.086 0.000 3.069 417 T HA 0.572 4.146 4.350 -1.294 0.000 0.252 417 T C 0.774 175.461 174.700 -0.022 0.000 1.053 417 T CA 0.423 62.496 62.100 -0.046 0.000 0.964 417 T CB -0.055 68.782 68.868 -0.052 0.000 1.005 417 T HN 0.952 nan 8.240 nan 0.000 0.532 418 A N 1.689 124.500 122.820 -0.016 0.000 2.406 418 A HA 0.359 3.903 4.320 -1.294 0.000 0.243 418 A C 1.142 178.741 177.584 0.025 0.000 1.082 418 A CA -0.270 51.772 52.037 0.008 0.000 0.786 418 A CB 0.031 19.046 19.000 0.025 0.000 1.029 418 A HN 0.222 nan 8.150 nan 0.000 0.495 419 D N 0.113 120.528 120.400 0.025 0.000 2.123 419 D HA -0.048 3.816 4.640 -1.294 0.000 0.196 419 D C 0.382 176.706 176.300 0.039 0.000 0.992 419 D CA 1.725 55.742 54.000 0.028 0.000 0.833 419 D CB 0.091 40.906 40.800 0.025 0.000 0.954 419 D HN 0.564 nan 8.370 nan 0.000 0.455 420 K N -0.820 119.611 120.400 0.053 0.000 2.482 420 K HA 0.434 3.978 4.320 -1.294 0.000 0.257 420 K C -0.521 176.146 176.600 0.111 0.000 0.969 420 K CA -0.654 55.671 56.287 0.065 0.000 0.842 420 K CB 2.400 34.932 32.500 0.053 0.000 1.359 420 K HN -0.031 nan 8.250 nan 0.000 0.441 421 T N -2.384 112.246 114.554 0.126 0.000 2.943 421 T HA 0.201 3.775 4.350 -1.294 0.000 0.284 421 T C 1.398 176.219 174.700 0.201 0.000 1.015 421 T CA -0.938 61.309 62.100 0.243 0.000 1.042 421 T CB 0.674 69.692 68.868 0.249 0.000 1.055 421 T HN 0.881 nan 8.240 nan 0.000 0.500 422 W N 1.887 123.268 121.300 0.136 0.000 2.342 422 W HA 0.101 3.983 4.660 -1.296 0.000 0.297 422 W C -0.551 175.995 176.519 0.045 0.000 1.213 422 W CA 0.292 57.688 57.345 0.085 0.000 1.251 422 W CB -0.806 28.719 29.460 0.108 0.000 1.136 422 W HN 0.416 nan 8.180 nan 0.000 0.526 423 L N 2.360 123.080 121.223 -0.838 0.000 2.370 423 L HA 0.415 3.979 4.340 -1.294 0.000 0.266 423 L C -1.886 174.675 176.870 -0.515 0.000 1.002 423 L CA -2.384 51.959 54.840 -0.827 0.000 0.818 423 L CB 2.422 43.734 42.059 -1.246 0.000 1.325 423 L HN -0.449 nan 8.230 nan 0.000 0.418 424 P HA 0.049 nan 4.420 nan 0.000 0.271 424 P C -0.604 176.481 177.300 -0.358 0.000 1.218 424 P CA -0.177 62.697 63.100 -0.376 0.000 0.780 424 P CB 1.155 32.610 31.700 -0.407 0.000 0.901 425 V N 3.650 123.473 119.914 -0.151 0.000 2.614 425 V HA 0.071 3.415 4.120 -1.294 0.000 0.291 425 V C 1.250 177.423 176.094 0.132 0.000 1.049 425 V CA -0.378 61.862 62.300 -0.101 0.000 1.038 425 V CB 0.183 31.889 31.823 -0.195 0.000 0.980 425 V HN 0.636 nan 8.190 nan 0.000 0.481 426 N N 5.846 124.646 118.700 0.168 0.000 2.483 426 N HA 0.096 4.060 4.740 -1.294 0.000 0.264 426 N C -1.745 173.886 175.510 0.201 0.000 1.197 426 N CA -1.317 51.847 53.050 0.188 0.000 0.927 426 N CB 1.779 40.310 38.487 0.072 0.000 1.065 426 N HN 0.302 nan 8.380 nan 0.000 0.461 427 P HA -0.107 nan 4.420 nan 0.000 0.221 427 P C 0.494 177.752 177.300 -0.069 0.000 1.145 427 P CA 1.028 64.164 63.100 0.059 0.000 0.795 427 P CB 0.089 31.754 31.700 -0.058 0.000 0.775 428 N N -0.512 118.153 118.700 -0.059 0.000 2.571 428 N HA -0.189 3.775 4.740 -1.294 0.000 0.189 428 N C 1.387 176.848 175.510 -0.081 0.000 1.154 428 N CA 0.424 53.415 53.050 -0.099 0.000 0.907 428 N CB -1.695 36.741 38.487 -0.085 0.000 0.977 428 N HN 0.323 nan 8.380 nan 0.000 0.449 429 Y N 1.528 121.794 120.300 -0.057 0.000 2.403 429 Y HA -0.070 3.703 4.550 -1.296 0.000 0.291 429 Y C 1.846 177.724 175.900 -0.036 0.000 1.143 429 Y CA 1.063 59.133 58.100 -0.050 0.000 1.257 429 Y CB -0.404 38.034 38.460 -0.038 0.000 0.984 429 Y HN 0.185 nan 8.280 nan 0.000 0.550 430 K N -0.281 119.697 120.400 -0.703 0.000 2.147 430 K HA -0.145 3.399 4.320 -1.294 0.000 0.205 430 K C 0.742 177.220 176.600 -0.203 0.000 1.049 430 K CA 1.810 57.785 56.287 -0.519 0.000 0.936 430 K CB -0.178 32.010 32.500 -0.521 0.000 0.722 430 K HN 0.303 nan 8.250 nan 0.000 0.446 431 D N 0.763 121.069 120.400 -0.156 0.000 2.394 431 D HA 0.168 4.032 4.640 -1.294 0.000 0.226 431 D C 0.537 176.809 176.300 -0.046 0.000 0.990 431 D CA 0.411 54.360 54.000 -0.085 0.000 0.902 431 D CB 0.434 41.184 40.800 -0.084 0.000 1.038 431 D HN 0.157 nan 8.370 nan 0.000 0.499 432 I N 2.354 122.901 120.570 -0.039 0.000 2.307 432 I HA 0.222 3.616 4.170 -1.294 0.000 0.287 432 I C -0.727 175.385 176.117 -0.009 0.000 1.054 432 I CA -0.504 60.783 61.300 -0.022 0.000 1.218 432 I CB 0.319 38.301 38.000 -0.030 0.000 1.398 432 I HN -0.060 nan 8.210 nan 0.000 0.475 433 N N 3.194 121.883 118.700 -0.019 0.000 2.745 433 N HA 0.228 4.192 4.740 -1.294 0.000 0.256 433 N C 0.013 175.483 175.510 -0.067 0.000 1.268 433 N CA -0.937 52.089 53.050 -0.041 0.000 0.887 433 N CB 1.356 39.864 38.487 0.036 0.000 1.575 433 N HN -0.033 nan 8.380 nan 0.000 0.496 434 V N 0.278 120.108 119.914 -0.141 0.000 2.324 434 V HA -0.313 3.031 4.120 -1.294 0.000 0.250 434 V C 2.550 178.589 176.094 -0.091 0.000 1.060 434 V CA 2.472 64.678 62.300 -0.158 0.000 1.042 434 V CB -0.806 30.847 31.823 -0.282 0.000 0.650 434 V HN 0.879 nan 8.190 nan 0.000 0.450 435 Q N -0.225 119.559 119.800 -0.027 0.000 2.050 435 Q HA -0.224 3.340 4.340 -1.294 0.000 0.202 435 Q C 2.256 178.251 176.000 -0.007 0.000 0.980 435 Q CA 2.092 57.889 55.803 -0.010 0.000 0.840 435 Q CB -0.280 28.471 28.738 0.021 0.000 0.898 435 Q HN 0.635 nan 8.270 nan 0.000 0.424 436 A N 0.643 123.464 122.820 0.003 0.000 1.930 436 A HA -0.066 3.478 4.320 -1.294 0.000 0.217 436 A C 2.260 179.861 177.584 0.028 0.000 1.175 436 A CA 1.566 53.613 52.037 0.017 0.000 0.627 436 A CB -0.869 18.139 19.000 0.014 0.000 0.815 436 A HN 0.562 nan 8.150 nan 0.000 0.443 437 A N -0.337 122.485 122.820 0.003 0.000 1.930 437 A HA 0.005 3.549 4.320 -1.294 0.000 0.217 437 A C 2.111 179.680 177.584 -0.026 0.000 1.175 437 A CA 1.394 53.443 52.037 0.019 0.000 0.627 437 A CB -0.517 18.490 19.000 0.012 0.000 0.815 437 A HN 0.465 nan 8.150 nan 0.000 0.443 438 L N -0.897 120.244 121.223 -0.137 0.000 2.217 438 L HA -0.110 3.454 4.340 -1.294 0.000 0.211 438 L C 2.561 179.523 176.870 0.153 0.000 1.107 438 L CA 1.553 56.307 54.840 -0.143 0.000 0.783 438 L CB -0.289 41.656 42.059 -0.190 0.000 0.919 438 L HN 0.472 nan 8.230 nan 0.000 0.442 439 K N 0.483 120.945 120.400 0.104 0.000 2.103 439 K HA -0.133 3.411 4.320 -1.294 0.000 0.204 439 K C 0.948 177.631 176.600 0.138 0.000 1.052 439 K CA 0.551 56.901 56.287 0.106 0.000 0.945 439 K CB 0.124 32.660 32.500 0.060 0.000 0.722 439 K HN 0.104 nan 8.250 nan 0.000 0.443 440 N N 0.803 119.608 118.700 0.176 0.000 2.415 440 N HA 0.035 3.998 4.740 -1.294 0.000 0.246 440 N C -0.099 175.570 175.510 0.266 0.000 1.078 440 N CA 0.260 53.413 53.050 0.173 0.000 0.942 440 N CB 1.207 39.783 38.487 0.148 0.000 1.140 440 N HN -0.008 nan 8.380 nan 0.000 0.501 441 S N 2.821 118.571 115.700 0.084 0.000 2.420 441 S HA -0.092 3.602 4.470 -1.294 0.000 0.237 441 S C 0.778 175.375 174.600 -0.005 0.000 1.023 441 S CA 0.995 59.105 58.200 -0.150 0.000 0.991 441 S CB -0.116 62.992 63.200 -0.153 0.000 0.792 441 S HN 0.649 nan 8.310 nan 0.000 0.488 442 N N 1.479 120.263 118.700 0.140 0.000 2.380 442 N HA 0.144 4.108 4.740 -1.294 0.000 0.255 442 N C -0.118 175.536 175.510 0.240 0.000 1.158 442 N CA -0.022 53.133 53.050 0.175 0.000 0.878 442 N CB 0.664 39.214 38.487 0.105 0.000 1.138 442 N HN 0.429 nan 8.380 nan 0.000 0.509 443 S N -0.634 115.283 115.700 0.361 0.000 2.634 443 S HA 0.313 4.007 4.470 -1.294 0.000 0.261 443 S C 1.741 176.510 174.600 0.283 0.000 1.271 443 S CA -0.595 57.777 58.200 0.286 0.000 0.985 443 S CB 0.907 64.273 63.200 0.276 0.000 0.968 443 S HN 0.099 nan 8.310 nan 0.000 0.568 444 I N 0.076 120.780 120.570 0.223 0.000 2.264 444 I HA -0.139 3.255 4.170 -1.294 0.000 0.248 444 I C 2.206 178.505 176.117 0.302 0.000 1.111 444 I CA 1.641 63.083 61.300 0.238 0.000 1.382 444 I CB -0.531 37.602 38.000 0.221 0.000 1.060 444 I HN 0.731 nan 8.210 nan 0.000 0.418 445 F N 1.500 121.501 119.950 0.085 0.000 2.091 445 F HA -0.323 3.428 4.527 -1.293 0.000 0.299 445 F C 2.281 178.040 175.800 -0.068 0.000 1.103 445 F CA 1.797 59.777 58.000 -0.034 0.000 1.228 445 F CB -0.591 38.271 39.000 -0.230 0.000 0.984 445 F HN -0.018 nan 8.300 nan 0.000 0.477 446 Y N 0.250 120.734 120.300 0.307 0.000 2.352 446 Y HA -0.139 3.636 4.550 -1.292 0.000 0.292 446 Y C 2.693 178.608 175.900 0.025 0.000 1.136 446 Y CA 1.581 59.770 58.100 0.149 0.000 1.227 446 Y CB -1.399 37.202 38.460 0.235 0.000 0.991 446 Y HN 0.049 nan 8.280 nan 0.000 0.545 447 T N -0.876 113.770 114.554 0.152 0.000 2.737 447 T HA -0.207 3.367 4.350 -1.294 0.000 0.265 447 T C 1.513 176.141 174.700 -0.119 0.000 1.038 447 T CA 1.596 63.707 62.100 0.019 0.000 1.144 447 T CB -0.535 68.318 68.868 -0.024 0.000 0.866 447 T HN 0.310 nan 8.240 nan 0.000 0.434 448 Y N 1.375 121.581 120.300 -0.158 0.000 2.224 448 Y HA -0.125 3.639 4.550 -1.309 0.000 0.289 448 Y C 2.827 178.584 175.900 -0.239 0.000 1.146 448 Y CA 1.331 59.286 58.100 -0.242 0.000 1.182 448 Y CB -0.263 38.050 38.460 -0.245 0.000 0.983 448 Y HN 0.234 nan 8.280 nan 0.000 0.524 449 Q N 0.300 119.989 119.800 -0.184 0.000 2.084 449 Q HA -0.284 3.280 4.340 -1.294 0.000 0.202 449 Q C 1.972 177.956 176.000 -0.028 0.000 0.978 449 Q CA 2.001 57.696 55.803 -0.179 0.000 0.844 449 Q CB -0.083 28.518 28.738 -0.229 0.000 0.898 449 Q HN 0.579 nan 8.270 nan 0.000 0.426 450 Q N 0.063 119.869 119.800 0.011 0.000 2.084 450 Q HA -0.134 3.430 4.340 -1.294 0.000 0.202 450 Q C 2.264 178.269 176.000 0.009 0.000 0.978 450 Q CA 1.366 57.189 55.803 0.034 0.000 0.844 450 Q CB -0.070 28.702 28.738 0.056 0.000 0.898 450 Q HN 0.400 nan 8.270 nan 0.000 0.426 451 L N 0.282 121.486 121.223 -0.032 0.000 2.046 451 L HA -0.202 3.362 4.340 -1.294 0.000 0.208 451 L C 2.294 179.185 176.870 0.034 0.000 1.077 451 L CA 1.014 55.841 54.840 -0.022 0.000 0.747 451 L CB -0.379 41.600 42.059 -0.133 0.000 0.896 451 L HN 0.267 nan 8.230 nan 0.000 0.432 452 I N -0.631 119.967 120.570 0.047 0.000 2.286 452 I HA -0.312 3.082 4.170 -1.294 0.000 0.248 452 I C 2.707 178.844 176.117 0.032 0.000 1.115 452 I CA 1.284 62.627 61.300 0.071 0.000 1.392 452 I CB -0.242 37.796 38.000 0.063 0.000 1.065 452 I HN 0.390 nan 8.210 nan 0.000 0.418 453 Q N 1.188 121.000 119.800 0.021 0.000 2.079 453 Q HA -0.173 3.391 4.340 -1.294 0.000 0.200 453 Q C 2.403 178.402 176.000 -0.002 0.000 0.974 453 Q CA 1.292 57.107 55.803 0.019 0.000 0.840 453 Q CB 0.038 28.796 28.738 0.034 0.000 0.898 453 Q HN 0.487 nan 8.270 nan 0.000 0.430 454 L N 0.377 121.591 121.223 -0.016 0.000 2.012 454 L HA -0.235 3.329 4.340 -1.294 0.000 0.210 454 L C 2.829 179.606 176.870 -0.156 0.000 1.073 454 L CA 1.835 56.635 54.840 -0.066 0.000 0.748 454 L CB -0.485 41.534 42.059 -0.067 0.000 0.891 454 L HN 0.266 nan 8.230 nan 0.000 0.431 455 R N 0.600 121.021 120.500 -0.131 0.000 2.120 455 R HA -0.175 3.389 4.340 -1.294 0.000 0.234 455 R C 2.160 178.409 176.300 -0.084 0.000 1.123 455 R CA 1.424 57.437 56.100 -0.144 0.000 0.975 455 R CB -0.001 30.262 30.300 -0.061 0.000 0.866 455 R HN 0.282 nan 8.270 nan 0.000 0.446 456 K N -0.086 120.293 120.400 -0.035 0.000 2.228 456 K HA -0.067 3.477 4.320 -1.294 0.000 0.202 456 K C 1.179 177.770 176.600 -0.015 0.000 1.051 456 K CA 1.415 57.698 56.287 -0.006 0.000 0.960 456 K CB 0.243 32.756 32.500 0.020 0.000 0.743 456 K HN 0.372 nan 8.250 nan 0.000 0.458 457 E N 0.075 120.259 120.200 -0.027 0.000 2.498 457 E HA 0.098 3.672 4.350 -1.294 0.000 0.203 457 E C -0.379 176.210 176.600 -0.019 0.000 1.013 457 E CA -0.077 56.317 56.400 -0.009 0.000 0.927 457 E CB 0.466 30.175 29.700 0.015 0.000 1.012 457 E HN 0.159 nan 8.360 nan 0.000 0.482 458 N N 1.340 119.983 118.700 -0.096 0.000 2.448 458 N HA 0.072 4.036 4.740 -1.294 0.000 0.279 458 N C -0.552 174.846 175.510 -0.187 0.000 1.025 458 N CA -0.239 52.734 53.050 -0.129 0.000 0.898 458 N CB 1.835 40.150 38.487 -0.287 0.000 1.303 458 N HN -0.076 nan 8.380 nan 0.000 0.495 459 D N 0.948 121.334 120.400 -0.023 0.000 2.218 459 D HA -0.133 3.731 4.640 -1.294 0.000 0.204 459 D C 1.878 178.219 176.300 0.069 0.000 0.976 459 D CA 0.819 54.825 54.000 0.011 0.000 0.853 459 D CB 0.102 40.938 40.800 0.060 0.000 0.939 459 D HN 0.715 nan 8.370 nan 0.000 0.481 460 W N 0.986 122.313 121.300 0.047 0.000 2.374 460 W HA -0.091 3.792 4.660 -1.295 0.000 0.288 460 W C 1.379 177.932 176.519 0.056 0.000 1.218 460 W CA 0.147 57.535 57.345 0.071 0.000 1.245 460 W CB -1.087 28.444 29.460 0.117 0.000 1.126 460 W HN -0.037 nan 8.180 nan 0.000 0.545 461 L N 0.944 121.814 121.223 -0.588 0.000 2.191 461 L HA -0.201 3.362 4.340 -1.294 0.000 0.212 461 L C 2.525 179.357 176.870 -0.064 0.000 1.103 461 L CA 0.995 55.515 54.840 -0.534 0.000 0.769 461 L CB -0.491 41.135 42.059 -0.722 0.000 0.908 461 L HN -0.129 nan 8.230 nan 0.000 0.438 462 V N -1.145 118.786 119.914 0.028 0.000 2.492 462 V HA -0.117 3.227 4.120 -1.294 0.000 0.241 462 V C 1.730 177.944 176.094 0.200 0.000 1.041 462 V CA 1.351 63.767 62.300 0.193 0.000 1.057 462 V CB -0.181 31.716 31.823 0.124 0.000 0.711 462 V HN 0.359 nan 8.190 nan 0.000 0.468 463 D N 0.895 121.392 120.400 0.161 0.000 2.249 463 D HA 0.114 3.978 4.640 -1.294 0.000 0.205 463 D C 1.045 177.465 176.300 0.200 0.000 0.962 463 D CA 0.833 54.929 54.000 0.160 0.000 0.860 463 D CB -0.074 40.804 40.800 0.130 0.000 0.955 463 D HN 0.421 nan 8.370 nan 0.000 0.505 464 A N 2.071 125.061 122.820 0.282 0.000 2.445 464 A HA 0.205 3.749 4.320 -1.294 0.000 0.242 464 A C 0.443 178.179 177.584 0.254 0.000 1.075 464 A CA -0.498 51.721 52.037 0.302 0.000 0.777 464 A CB 0.372 19.652 19.000 0.467 0.000 1.013 464 A HN 0.060 nan 8.150 nan 0.000 0.493 465 D N -0.130 120.397 120.400 0.211 0.000 2.414 465 D HA 0.410 4.274 4.640 -1.294 0.000 0.251 465 D C -0.651 175.814 176.300 0.275 0.000 1.252 465 D CA -0.247 53.873 54.000 0.200 0.000 0.999 465 D CB 0.401 41.287 40.800 0.143 0.000 1.093 465 D HN 0.303 nan 8.370 nan 0.000 0.515 466 F N -0.862 119.138 119.950 0.084 0.000 2.529 466 F HA 0.391 4.142 4.527 -1.294 0.000 0.320 466 F C -0.975 174.870 175.800 0.076 0.000 1.118 466 F CA -0.815 57.237 58.000 0.086 0.000 0.915 466 F CB 1.832 40.827 39.000 -0.010 0.000 1.161 466 F HN 0.413 nan 8.300 nan 0.000 0.445 467 E N 6.633 126.627 120.200 -0.343 0.000 2.265 467 E HA 0.331 3.905 4.350 -1.294 0.000 0.262 467 E C -1.929 174.471 176.600 -0.334 0.000 0.889 467 E CA -1.010 55.279 56.400 -0.184 0.000 0.789 467 E CB 1.672 31.331 29.700 -0.070 0.000 1.221 467 E HN 0.741 nan 8.360 nan 0.000 0.414 468 L N 5.471 126.600 121.223 -0.156 0.000 2.367 468 L HA 0.327 3.891 4.340 -1.294 0.000 0.275 468 L C -1.173 175.651 176.870 -0.077 0.000 1.129 468 L CA 0.198 54.981 54.840 -0.095 0.000 0.839 468 L CB 0.517 42.596 42.059 0.034 0.000 1.133 468 L HN 0.584 nan 8.230 nan 0.000 0.453 469 L N 6.407 127.581 121.223 -0.081 0.000 2.343 469 L HA 0.496 4.060 4.340 -1.294 0.000 0.275 469 L C -1.990 174.836 176.870 -0.073 0.000 1.056 469 L CA -1.905 52.895 54.840 -0.067 0.000 0.804 469 L CB 1.090 43.113 42.059 -0.060 0.000 1.203 469 L HN 0.549 nan 8.230 nan 0.000 0.440 470 P HA 0.198 nan 4.420 nan 0.000 0.280 470 P C -0.786 176.483 177.300 -0.053 0.000 1.300 470 P CA -0.160 62.907 63.100 -0.056 0.000 0.785 470 P CB 0.842 32.517 31.700 -0.041 0.000 0.874 471 T N -0.212 114.304 114.554 -0.064 0.000 2.696 471 T HA 0.760 4.334 4.350 -1.294 0.000 0.291 471 T C -0.253 174.413 174.700 -0.056 0.000 1.095 471 T CA -1.056 61.012 62.100 -0.054 0.000 1.026 471 T CB 0.777 69.611 68.868 -0.057 0.000 1.390 471 T HN 0.206 nan 8.240 nan 0.000 0.513 472 A N 0.635 123.425 122.820 -0.049 0.000 2.492 472 A HA 0.322 3.866 4.320 -1.294 0.000 0.236 472 A C 1.123 178.670 177.584 -0.062 0.000 1.078 472 A CA 0.068 52.075 52.037 -0.051 0.000 0.773 472 A CB -0.741 18.230 19.000 -0.047 0.000 1.023 472 A HN 0.903 nan 8.150 nan 0.000 0.504 473 D N 0.478 120.842 120.400 -0.060 0.000 2.126 473 D HA -0.157 3.707 4.640 -1.294 0.000 0.190 473 D C 1.360 177.618 176.300 -0.071 0.000 1.001 473 D CA 2.080 56.041 54.000 -0.066 0.000 0.841 473 D CB -0.031 40.734 40.800 -0.057 0.000 0.949 473 D HN 0.678 nan 8.370 nan 0.000 0.446 474 K N -0.148 120.205 120.400 -0.079 0.000 2.444 474 K HA 0.121 3.665 4.320 -1.294 0.000 0.193 474 K C -0.201 176.349 176.600 -0.083 0.000 1.024 474 K CA -0.048 56.181 56.287 -0.096 0.000 1.077 474 K CB 0.947 33.361 32.500 -0.143 0.000 0.833 474 K HN -0.008 nan 8.250 nan 0.000 0.517 475 V N 1.945 121.823 119.914 -0.059 0.000 2.407 475 V HA 0.167 3.511 4.120 -1.294 0.000 0.278 475 V C -0.690 175.424 176.094 0.034 0.000 1.037 475 V CA -0.621 61.661 62.300 -0.031 0.000 0.900 475 V CB 0.673 32.467 31.823 -0.049 0.000 0.983 475 V HN 0.029 nan 8.190 nan 0.000 0.459 476 F N 5.082 125.011 119.950 -0.036 0.000 2.308 476 F HA 0.751 4.510 4.527 -1.280 0.000 0.370 476 F C 0.263 176.096 175.800 0.055 0.000 1.100 476 F CA -0.685 57.347 58.000 0.054 0.000 1.108 476 F CB 0.780 39.850 39.000 0.117 0.000 1.293 476 F HN 0.540 nan 8.300 nan 0.000 0.478 477 A N 6.120 129.031 122.820 0.151 0.000 2.414 477 A HA 0.811 4.355 4.320 -1.294 0.000 0.306 477 A C -1.919 175.719 177.584 0.090 0.000 1.054 477 A CA -0.512 51.564 52.037 0.065 0.000 0.724 477 A CB 1.026 19.991 19.000 -0.058 0.000 1.267 477 A HN 0.833 nan 8.150 nan 0.000 0.418 478 Y N -0.352 119.917 120.300 -0.052 0.000 2.656 478 Y HA 0.745 4.517 4.550 -1.297 0.000 0.334 478 Y C -1.269 174.513 175.900 -0.197 0.000 1.179 478 Y CA -1.550 56.400 58.100 -0.250 0.000 1.050 478 Y CB 0.989 39.106 38.460 -0.572 0.000 1.308 478 Y HN 0.819 nan 8.280 nan 0.000 0.456 479 L N 0.437 121.620 121.223 -0.067 0.000 2.354 479 L HA 0.877 4.441 4.340 -1.294 0.000 0.269 479 L C -0.793 176.123 176.870 0.077 0.000 1.005 479 L CA -1.333 53.490 54.840 -0.028 0.000 0.819 479 L CB 2.181 44.205 42.059 -0.058 0.000 1.311 479 L HN 0.580 nan 8.230 nan 0.000 0.423 480 R N 2.354 122.954 120.500 0.167 0.000 2.343 480 R HA 0.554 4.118 4.340 -1.294 0.000 0.320 480 R C -1.172 175.234 176.300 0.176 0.000 0.956 480 R CA -0.567 55.701 56.100 0.281 0.000 0.836 480 R CB 1.876 32.485 30.300 0.516 0.000 1.151 480 R HN 0.718 nan 8.270 nan 0.000 0.450 481 K N 1.217 121.708 120.400 0.151 0.000 2.378 481 K HA 0.578 4.121 4.320 -1.294 0.000 0.252 481 K C -1.073 175.598 176.600 0.118 0.000 0.931 481 K CA -0.952 55.381 56.287 0.077 0.000 0.794 481 K CB 3.044 35.559 32.500 0.025 0.000 1.181 481 K HN 0.203 nan 8.250 nan 0.000 0.425 482 V N 4.277 124.248 119.914 0.094 0.000 2.610 482 V HA 0.350 3.694 4.120 -1.294 0.000 0.298 482 V C -0.026 176.102 176.094 0.057 0.000 1.067 482 V CA -0.252 62.115 62.300 0.111 0.000 0.894 482 V CB 0.911 32.851 31.823 0.194 0.000 1.015 482 V HN 0.967 nan 8.190 nan 0.000 0.432 483 R N 3.577 124.102 120.500 0.042 0.000 3.950 483 R HA -0.260 3.304 4.340 -1.294 0.000 0.351 483 R C 0.681 176.976 176.300 -0.009 0.000 0.245 483 R CA 2.175 58.286 56.100 0.019 0.000 1.155 483 R CB -0.971 29.344 30.300 0.026 0.000 0.980 483 R HN 0.947 nan 8.270 nan 0.000 0.569 484 E N 1.695 121.879 120.200 -0.028 0.000 2.526 484 E HA 0.232 3.806 4.350 -1.294 0.000 0.208 484 E C -0.648 175.881 176.600 -0.119 0.000 0.997 484 E CA 0.173 56.537 56.400 -0.060 0.000 0.961 484 E CB 0.243 29.913 29.700 -0.050 0.000 1.030 484 E HN 0.439 nan 8.360 nan 0.000 0.483 485 E N 1.611 121.728 120.200 -0.139 0.000 2.289 485 E HA 0.363 3.937 4.350 -1.294 0.000 0.278 485 E C -0.337 176.007 176.600 -0.427 0.000 1.032 485 E CA -0.267 55.945 56.400 -0.313 0.000 0.854 485 E CB 1.006 30.552 29.700 -0.256 0.000 1.046 485 E HN 0.037 nan 8.360 nan 0.000 0.409 486 R N 2.841 122.971 120.500 -0.618 0.000 2.513 486 R HA 0.319 3.883 4.340 -1.294 0.000 0.301 486 R C -1.360 174.486 176.300 -0.755 0.000 0.968 486 R CA -0.754 55.042 56.100 -0.506 0.000 0.872 486 R CB 1.166 31.302 30.300 -0.273 0.000 1.177 486 R HN 0.493 nan 8.270 nan 0.000 0.444 487 Y N 2.633 122.750 120.300 -0.305 0.000 2.328 487 Y HA 0.334 4.108 4.550 -1.293 0.000 0.336 487 Y C -0.258 175.527 175.900 -0.192 0.000 0.960 487 Y CA -0.963 56.936 58.100 -0.334 0.000 1.134 487 Y CB 1.592 39.643 38.460 -0.681 0.000 1.166 487 Y HN 0.360 nan 8.280 nan 0.000 0.464 488 L N 5.275 126.492 121.223 -0.011 0.000 2.272 488 L HA 0.651 4.215 4.340 -1.294 0.000 0.289 488 L C -1.397 175.415 176.870 -0.097 0.000 1.032 488 L CA -0.489 54.316 54.840 -0.058 0.000 0.810 488 L CB 0.416 42.469 42.059 -0.011 0.000 1.205 488 L HN 0.462 nan 8.230 nan 0.000 0.422 489 I N 6.020 126.392 120.570 -0.331 0.000 2.362 489 I HA 0.468 3.861 4.170 -1.294 0.000 0.289 489 I C -0.652 175.184 176.117 -0.468 0.000 0.994 489 I CA -0.283 60.742 61.300 -0.458 0.000 1.158 489 I CB 1.852 39.322 38.000 -0.883 0.000 1.315 489 I HN 0.260 nan 8.210 nan 0.000 0.451 490 V N 7.104 126.681 119.914 -0.562 0.000 2.483 490 V HA 0.580 3.923 4.120 -1.294 0.000 0.297 490 V C -0.574 175.225 176.094 -0.491 0.000 1.027 490 V CA -0.674 61.288 62.300 -0.563 0.000 0.855 490 V CB 2.024 33.341 31.823 -0.843 0.000 0.995 490 V HN 0.379 nan 8.190 nan 0.000 0.424 491 V N 4.050 123.859 119.914 -0.175 0.000 2.525 491 V HA 0.393 3.737 4.120 -1.294 0.000 0.299 491 V C 0.031 176.099 176.094 -0.043 0.000 1.034 491 V CA -0.730 61.526 62.300 -0.073 0.000 0.863 491 V CB 1.806 33.656 31.823 0.045 0.000 0.999 491 V HN 0.917 nan 8.190 nan 0.000 0.423 492 N N 3.598 122.237 118.700 -0.100 0.000 2.555 492 N HA 0.216 4.180 4.740 -1.294 0.000 0.244 492 N C -0.175 175.103 175.510 -0.386 0.000 1.114 492 N CA -0.450 52.484 53.050 -0.194 0.000 0.963 492 N CB 0.982 39.346 38.487 -0.206 0.000 1.276 492 N HN 0.541 nan 8.380 nan 0.000 0.510 493 V N 3.243 122.957 119.914 -0.333 0.000 1.956 493 V HA 0.089 3.433 4.120 -1.294 0.000 0.248 493 V C 0.127 175.724 176.094 -0.828 0.000 1.615 493 V CA -0.021 61.965 62.300 -0.522 0.000 1.558 493 V CB -1.324 30.414 31.823 -0.142 0.000 1.529 493 V HN 0.698 nan 8.190 nan 0.000 0.505 494 S N -0.193 114.638 115.700 -1.448 0.000 2.611 494 S HA 0.285 3.979 4.470 -1.294 0.000 0.270 494 S C -0.277 173.692 174.600 -1.052 0.000 1.131 494 S CA -0.803 56.818 58.200 -0.965 0.000 0.826 494 S CB 1.671 64.598 63.200 -0.456 0.000 1.095 494 S HN 0.237 nan 8.310 nan 0.000 0.461 495 D N 0.923 121.120 120.400 -0.338 0.000 2.349 495 D HA 0.139 4.003 4.640 -1.294 0.000 0.224 495 D C 0.068 176.333 176.300 -0.058 0.000 1.029 495 D CA 0.692 54.689 54.000 -0.006 0.000 0.879 495 D CB 0.204 41.173 40.800 0.282 0.000 0.906 495 D HN 0.396 nan 8.370 nan 0.000 0.528 496 Q N 0.221 119.922 119.800 -0.165 0.000 2.359 496 Q HA 0.265 3.829 4.340 -1.294 0.000 0.275 496 Q C -0.125 175.794 176.000 -0.135 0.000 1.082 496 Q CA -0.597 55.150 55.803 -0.094 0.000 0.849 496 Q CB 1.851 30.553 28.738 -0.058 0.000 1.377 496 Q HN 0.098 nan 8.270 nan 0.000 0.452 497 E N 1.298 121.456 120.200 -0.071 0.000 2.360 497 E HA 0.071 3.645 4.350 -1.294 0.000 0.269 497 E C -0.735 175.826 176.600 -0.065 0.000 1.022 497 E CA 0.141 56.504 56.400 -0.062 0.000 0.887 497 E CB 0.650 30.339 29.700 -0.019 0.000 0.990 497 E HN 0.259 nan 8.360 nan 0.000 0.426 498 E N 2.284 122.445 120.200 -0.065 0.000 2.369 498 E HA 0.237 3.811 4.350 -1.294 0.000 0.270 498 E C -1.093 175.494 176.600 -0.022 0.000 0.909 498 E CA -0.888 55.479 56.400 -0.056 0.000 0.775 498 E CB 2.117 31.765 29.700 -0.087 0.000 1.270 498 E HN 0.368 nan 8.360 nan 0.000 0.445 499 V N 1.957 121.864 119.914 -0.013 0.000 2.732 499 V HA 0.231 3.575 4.120 -1.294 0.000 0.297 499 V C -0.614 175.495 176.094 0.024 0.000 1.060 499 V CA -0.302 62.007 62.300 0.013 0.000 1.038 499 V CB 0.883 32.711 31.823 0.007 0.000 1.003 499 V HN 0.463 nan 8.190 nan 0.000 0.481 500 L N 5.934 127.197 121.223 0.067 0.000 2.457 500 L HA 0.551 4.114 4.340 -1.294 0.000 0.252 500 L C 0.064 177.026 176.870 0.153 0.000 1.132 500 L CA 0.100 54.990 54.840 0.083 0.000 0.938 500 L CB 1.153 43.266 42.059 0.090 0.000 1.246 500 L HN 0.625 nan 8.230 nan 0.000 0.476 501 E N 5.901 126.154 120.200 0.089 0.000 2.148 501 E HA 0.258 3.832 4.350 -1.294 0.000 0.308 501 E C -0.412 176.237 176.600 0.082 0.000 1.278 501 E CA 0.226 56.666 56.400 0.066 0.000 1.368 501 E CB -0.187 29.506 29.700 -0.011 0.000 1.229 501 E HN 0.699 nan 8.360 nan 0.000 0.494 502 I N -2.630 118.047 120.570 0.179 0.000 2.994 502 I HA 0.530 3.924 4.170 -1.294 0.000 0.306 502 I C -0.901 175.318 176.117 0.170 0.000 1.195 502 I CA -1.008 60.363 61.300 0.119 0.000 1.001 502 I CB 2.890 40.931 38.000 0.070 0.000 1.244 502 I HN -0.290 nan 8.210 nan 0.000 0.437 503 D N 4.275 124.736 120.400 0.102 0.000 2.696 503 D HA 0.586 4.450 4.640 -1.294 0.000 0.251 503 D C -0.723 175.595 176.300 0.031 0.000 1.188 503 D CA -0.019 54.034 54.000 0.089 0.000 0.876 503 D CB 2.812 43.669 40.800 0.094 0.000 1.334 503 D HN 0.637 nan 8.370 nan 0.000 0.540 504 V N -0.936 118.983 119.914 0.009 0.000 3.160 504 V HA 0.581 3.925 4.120 -1.294 0.000 0.310 504 V C -0.796 175.282 176.094 -0.027 0.000 1.181 504 V CA -0.939 61.354 62.300 -0.012 0.000 1.047 504 V CB 2.902 34.719 31.823 -0.012 0.000 1.068 504 V HN 0.314 nan 8.190 nan 0.000 0.441 505 D N 1.872 122.249 120.400 -0.037 0.000 2.454 505 D HA 0.245 4.109 4.640 -1.294 0.000 0.225 505 D C -0.416 175.851 176.300 -0.054 0.000 1.081 505 D CA -0.342 53.632 54.000 -0.043 0.000 0.864 505 D CB 1.395 42.169 40.800 -0.043 0.000 1.040 505 D HN 0.757 nan 8.370 nan 0.000 0.517 506 K N 3.008 123.374 120.400 -0.056 0.000 2.379 506 K HA 0.062 3.606 4.320 -1.294 0.000 0.284 506 K C 1.053 177.619 176.600 -0.056 0.000 1.044 506 K CA 0.140 56.390 56.287 -0.061 0.000 0.974 506 K CB 0.898 33.352 32.500 -0.077 0.000 0.962 506 K HN 0.412 nan 8.250 nan 0.000 0.474 507 Q N 2.664 122.429 119.800 -0.058 0.000 2.287 507 Q HA 0.001 3.565 4.340 -1.294 0.000 0.201 507 Q C -0.317 175.665 176.000 -0.029 0.000 0.946 507 Q CA 0.701 56.474 55.803 -0.050 0.000 0.868 507 Q CB 0.481 29.177 28.738 -0.069 0.000 0.967 507 Q HN 0.757 nan 8.270 nan 0.000 0.516 508 E N -0.527 119.662 120.200 -0.017 0.000 2.401 508 E HA 0.356 3.930 4.350 -1.294 0.000 0.280 508 E C -1.426 175.194 176.600 0.034 0.000 1.039 508 E CA -0.691 55.716 56.400 0.011 0.000 0.814 508 E CB 1.449 31.170 29.700 0.036 0.000 1.275 508 E HN -0.264 nan 8.360 nan 0.000 0.448 509 T N 2.457 117.033 114.554 0.035 0.000 2.749 509 T HA 0.245 3.819 4.350 -1.294 0.000 0.287 509 T C 0.583 175.340 174.700 0.096 0.000 0.970 509 T CA -0.446 61.687 62.100 0.054 0.000 0.980 509 T CB 0.774 69.649 68.868 0.010 0.000 0.924 509 T HN 0.373 nan 8.240 nan 0.000 0.456 510 L N 3.689 124.998 121.223 0.143 0.000 2.202 510 L HA 0.502 4.066 4.340 -1.294 0.000 0.205 510 L C 0.624 177.573 176.870 0.132 0.000 1.083 510 L CA 1.021 55.956 54.840 0.159 0.000 0.790 510 L CB 0.056 42.247 42.059 0.219 0.000 0.942 510 L HN 0.603 nan 8.230 nan 0.000 0.452 511 I N -1.948 118.706 120.570 0.140 0.000 2.800 511 I HA 0.390 3.784 4.170 -1.294 0.000 0.294 511 I C -1.532 174.678 176.117 0.156 0.000 1.538 511 I CA -0.215 61.159 61.300 0.122 0.000 1.010 511 I CB 1.912 39.973 38.000 0.102 0.000 1.381 511 I HN -0.145 nan 8.210 nan 0.000 0.462 512 S N 4.103 119.884 115.700 0.135 0.000 2.535 512 S HA 0.378 4.072 4.470 -1.294 0.000 0.272 512 S C -0.644 174.036 174.600 0.133 0.000 1.149 512 S CA -0.555 57.750 58.200 0.174 0.000 0.888 512 S CB 1.316 64.598 63.200 0.137 0.000 1.110 512 S HN 0.831 nan 8.310 nan 0.000 0.463 513 N N 1.927 120.718 118.700 0.152 0.000 2.238 513 N HA 0.240 4.204 4.740 -1.294 0.000 0.222 513 N C 0.177 175.763 175.510 0.126 0.000 1.133 513 N CA -0.386 52.739 53.050 0.126 0.000 0.854 513 N CB 0.855 39.415 38.487 0.122 0.000 1.041 513 N HN 0.451 nan 8.380 nan 0.000 0.510 514 T N -0.469 114.160 114.554 0.124 0.000 2.649 514 T HA 0.153 3.727 4.350 -1.294 0.000 0.305 514 T C -1.797 172.931 174.700 0.047 0.000 1.409 514 T CA -0.796 61.364 62.100 0.100 0.000 1.021 514 T CB 0.996 69.944 68.868 0.134 0.000 1.726 514 T HN 0.218 nan 8.240 nan 0.000 0.475 515 N N 1.139 119.851 118.700 0.019 0.000 2.719 515 N HA 0.122 4.086 4.740 -1.294 0.000 0.243 515 N C 1.552 176.988 175.510 -0.123 0.000 1.104 515 N CA -0.282 52.743 53.050 -0.041 0.000 0.981 515 N CB 0.458 38.930 38.487 -0.025 0.000 1.290 515 N HN 0.562 nan 8.380 nan 0.000 0.513 516 E N 1.398 121.444 120.200 -0.257 0.000 2.118 516 E HA -0.207 3.367 4.350 -1.294 0.000 0.195 516 E C 0.960 177.265 176.600 -0.493 0.000 0.992 516 E CA 1.405 57.399 56.400 -0.677 0.000 0.804 516 E CB -0.317 28.759 29.700 -1.040 0.000 0.741 516 E HN 0.426 nan 8.360 nan 0.000 0.458 517 S N 1.465 116.989 115.700 -0.294 0.000 2.368 517 S HA -0.038 3.656 4.470 -1.294 0.000 0.225 517 S C 2.159 176.664 174.600 -0.159 0.000 1.030 517 S CA 1.347 59.424 58.200 -0.205 0.000 0.999 517 S CB -0.335 62.783 63.200 -0.137 0.000 0.844 517 S HN 0.586 nan 8.310 nan 0.000 0.459 518 A N 1.563 124.310 122.820 -0.122 0.000 1.898 518 A HA 0.182 3.726 4.320 -1.294 0.000 0.216 518 A C 2.362 179.897 177.584 -0.081 0.000 1.181 518 A CA 1.585 53.574 52.037 -0.081 0.000 0.620 518 A CB -1.085 17.888 19.000 -0.045 0.000 0.819 518 A HN 0.501 nan 8.150 nan 0.000 0.442 519 A N -0.549 122.224 122.820 -0.078 0.000 1.883 519 A HA -0.056 3.488 4.320 -1.294 0.000 0.217 519 A C 2.070 179.608 177.584 -0.076 0.000 1.186 519 A CA 1.792 53.816 52.037 -0.021 0.000 0.624 519 A CB -0.612 18.446 19.000 0.096 0.000 0.822 519 A HN 0.408 nan 8.150 nan 0.000 0.444 520 L N -0.426 120.711 121.223 -0.142 0.000 2.017 520 L HA -0.113 3.451 4.340 -1.294 0.000 0.208 520 L C 2.972 179.636 176.870 -0.343 0.000 1.073 520 L CA 2.082 56.804 54.840 -0.196 0.000 0.745 520 L CB -0.999 40.949 42.059 -0.186 0.000 0.894 520 L HN 0.397 nan 8.230 nan 0.000 0.432 521 A N -0.981 121.695 122.820 -0.241 0.000 1.933 521 A HA -0.203 3.341 4.320 -1.294 0.000 0.218 521 A C 1.985 179.445 177.584 -0.206 0.000 1.175 521 A CA 2.048 53.957 52.037 -0.213 0.000 0.628 521 A CB -0.750 18.182 19.000 -0.113 0.000 0.814 521 A HN 0.646 nan 8.150 nan 0.000 0.444 522 N N -1.738 116.873 118.700 -0.148 0.000 2.336 522 N HA 0.040 4.004 4.740 -1.294 0.000 0.189 522 N C -0.451 175.088 175.510 0.049 0.000 1.113 522 N CA 0.160 53.193 53.050 -0.028 0.000 0.858 522 N CB 0.090 38.575 38.487 -0.004 0.000 0.970 522 N HN 0.476 nan 8.380 nan 0.000 0.471 523 H N -0.448 118.628 119.070 0.011 0.000 2.820 523 H HA -0.146 3.634 4.556 -1.294 0.000 0.295 523 H C -0.672 174.665 175.328 0.014 0.000 1.187 523 H CA 0.976 57.033 56.048 0.014 0.000 1.144 523 H CB -1.538 28.226 29.762 0.004 0.000 1.354 523 H HN 0.427 nan 8.280 nan 0.000 0.395 524 K N 0.282 120.727 120.400 0.075 0.000 2.469 524 K HA 0.691 4.235 4.320 -1.294 0.000 0.254 524 K C -0.328 176.298 176.600 0.043 0.000 0.939 524 K CA -0.813 55.505 56.287 0.053 0.000 0.812 524 K CB 2.638 35.163 32.500 0.042 0.000 1.301 524 K HN -0.098 nan 8.250 nan 0.000 0.433 525 L N 2.621 123.859 121.223 0.026 0.000 2.333 525 L HA 0.308 3.872 4.340 -1.294 0.000 0.280 525 L C -0.198 176.664 176.870 -0.013 0.000 1.004 525 L CA -1.059 53.796 54.840 0.025 0.000 0.820 525 L CB 1.727 43.788 42.059 0.004 0.000 1.247 525 L HN 0.410 nan 8.230 nan 0.000 0.416 526 Q N 4.031 123.832 119.800 0.001 0.000 2.417 526 Q HA 0.255 3.819 4.340 -1.294 0.000 0.241 526 Q C -2.226 173.709 176.000 -0.109 0.000 1.008 526 Q CA -1.888 53.899 55.803 -0.026 0.000 0.901 526 Q CB 0.214 28.962 28.738 0.017 0.000 1.259 526 Q HN 0.286 nan 8.270 nan 0.000 0.489 527 P HA -0.157 nan 4.420 nan 0.000 0.261 527 P C -0.594 176.514 177.300 -0.320 0.000 1.173 527 P CA 0.520 63.369 63.100 -0.418 0.000 0.760 527 P CB 0.094 31.454 31.700 -0.567 0.000 0.783 528 W N -0.106 121.048 121.300 -0.244 0.000 3.207 528 W HA -0.191 3.679 4.660 -1.317 0.000 0.291 528 W C 0.152 176.620 176.519 -0.085 0.000 1.105 528 W CA 0.404 57.652 57.345 -0.162 0.000 0.612 528 W CB -2.508 26.837 29.460 -0.191 0.000 2.140 528 W HN 0.322 nan 8.180 nan 0.000 1.420 529 D N 0.689 121.123 120.400 0.058 0.000 2.472 529 D HA 0.453 4.317 4.640 -1.294 0.000 0.237 529 D C 0.428 176.775 176.300 0.078 0.000 1.141 529 D CA 1.460 55.525 54.000 0.108 0.000 0.875 529 D CB 0.870 41.741 40.800 0.119 0.000 1.192 529 D HN 0.164 nan 8.370 nan 0.000 0.450 530 A N 2.018 124.913 122.820 0.125 0.000 2.488 530 A HA 0.656 4.199 4.320 -1.294 0.000 0.295 530 A C -1.316 176.342 177.584 0.123 0.000 1.045 530 A CA -0.855 51.187 52.037 0.010 0.000 0.703 530 A CB 0.762 19.801 19.000 0.065 0.000 1.271 530 A HN 0.433 nan 8.150 nan 0.000 0.400 531 F N -0.735 119.234 119.950 0.033 0.000 2.741 531 F HA 0.745 4.500 4.527 -1.288 0.000 0.311 531 F C -1.049 174.761 175.800 0.017 0.000 1.149 531 F CA -1.470 56.546 58.000 0.027 0.000 0.930 531 F CB 0.732 39.744 39.000 0.020 0.000 1.312 531 F HN 0.842 nan 8.300 nan 0.000 0.450 532 C N 4.153 123.655 119.300 0.336 0.000 2.381 532 C HA 0.883 4.567 4.460 -1.294 0.000 0.328 532 C C -0.646 174.510 174.990 0.276 0.000 1.190 532 C CA -0.676 58.486 59.018 0.241 0.000 1.369 532 C CB -0.370 27.487 27.740 0.195 0.000 2.029 532 C HN 0.908 nan 8.230 nan 0.000 0.448 533 I N 2.633 123.359 120.570 0.259 0.000 2.608 533 I HA 0.558 3.952 4.170 -1.294 0.000 0.295 533 I C -0.634 175.542 176.117 0.099 0.000 1.049 533 I CA -0.746 60.651 61.300 0.161 0.000 1.063 533 I CB 1.654 39.712 38.000 0.098 0.000 1.248 533 I HN 0.606 nan 8.210 nan 0.000 0.424 534 K N 6.914 127.345 120.400 0.052 0.000 2.258 534 K HA 0.575 4.119 4.320 -1.294 0.000 0.284 534 K C -0.693 175.811 176.600 -0.161 0.000 1.051 534 K CA -0.523 55.671 56.287 -0.155 0.000 0.923 534 K CB 0.932 33.343 32.500 -0.148 0.000 1.046 534 K HN 0.791 nan 8.250 nan 0.000 0.474 535 I N 1.506 121.945 120.570 -0.218 0.000 2.910 535 I HA 0.407 3.801 4.170 -1.294 0.000 0.310 535 I C -0.458 175.560 176.117 -0.165 0.000 1.043 535 I CA -1.432 59.780 61.300 -0.147 0.000 1.053 535 I CB 1.161 39.099 38.000 -0.102 0.000 1.242 535 I HN 0.465 nan 8.210 nan 0.000 0.452 536 L N 0.000 121.155 121.223 -0.114 0.000 2.949 536 L HA 0.000 3.564 4.340 -1.294 0.000 0.249 536 L CA 0.000 54.779 54.840 -0.102 0.000 0.813 536 L CB 0.000 42.016 42.059 -0.071 0.000 0.961 536 L HN 0.000 nan 8.230 nan 0.000 0.502