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 3cx5_1_M DATA FIRST_RESID 17 DATA SEQUENCE LTVSARDAPT KISTLAVKVH GGSRYATKDG VAHLLNRFNF QNTNTRSALK DATA SEQUENCE LVRESELLGG TFKSTLDREY ITLKATFLKD DLPYYVNALA DVLYKTAFKP DATA SEQUENCE HELTESVLPA ARYDYAVAEQ CPVKSAEDQL YAITFRKGLG NPLLYDGVER DATA SEQUENCE VSLQDIKDFA DKVYTKENLE VSGENVVEAD LKRFVDESLL STLPAGKSLV DATA SEQUENCE SKSEPKFFLG EENRVRFIGD SVAAIGIPVN KASLAQYEVL ANYLTSALSE DATA SEQUENCE LSGLISSAKL DKFTDGGLFT LFVRDQDSAV VSSNIKKIVA DLKKGKDLSP DATA SEQUENCE AINYTKLKNA VQNESVSSPI ELNFDAVKDF KLGKFNYVAV GDVSNLPYLD DATA SEQUENCE EL 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 17 L HA 0.000 nan 4.340 nan 0.000 0.249 17 L C 0.000 176.893 176.870 0.039 0.000 1.165 17 L CA 0.000 54.863 54.840 0.039 0.000 0.813 17 L CB 0.000 42.075 42.059 0.027 0.000 0.961 18 T N 0.738 115.322 114.554 0.050 0.000 2.897 18 T HA 0.605 4.955 4.350 -0.000 0.000 0.294 18 T C 0.088 174.815 174.700 0.044 0.000 1.004 18 T CA -0.132 61.997 62.100 0.048 0.000 1.106 18 T CB 2.176 71.081 68.868 0.062 0.000 0.949 18 T HN 0.157 nan 8.240 nan 0.000 0.520 19 V N 2.991 122.927 119.914 0.037 0.000 2.524 19 V HA 0.536 4.656 4.120 -0.000 0.000 0.297 19 V C -0.327 175.787 176.094 0.033 0.000 1.035 19 V CA -0.717 61.606 62.300 0.037 0.000 0.867 19 V CB 1.904 33.748 31.823 0.035 0.000 1.004 19 V HN 0.953 nan 8.190 nan 0.000 0.426 20 S N 2.569 118.290 115.700 0.035 0.000 2.599 20 S HA 0.982 5.452 4.470 -0.000 0.000 0.287 20 S C -0.494 174.125 174.600 0.032 0.000 1.105 20 S CA -0.414 57.803 58.200 0.029 0.000 0.899 20 S CB 2.191 65.407 63.200 0.026 0.000 1.100 20 S HN 1.307 nan 8.310 nan 0.000 0.482 21 A N 1.817 124.652 122.820 0.026 0.000 2.547 21 A HA 0.664 4.984 4.320 -0.000 0.000 0.298 21 A C -1.038 176.557 177.584 0.017 0.000 1.062 21 A CA -0.727 51.327 52.037 0.027 0.000 0.748 21 A CB 1.096 20.122 19.000 0.043 0.000 1.288 21 A HN 0.727 nan 8.150 nan 0.000 0.396 22 R N 1.473 121.979 120.500 0.009 0.000 2.407 22 R HA 0.539 4.879 4.340 -0.000 0.000 0.303 22 R C -1.017 175.282 176.300 -0.000 0.000 0.981 22 R CA -0.337 55.765 56.100 0.003 0.000 0.905 22 R CB 1.049 31.348 30.300 -0.003 0.000 1.099 22 R HN 0.775 nan 8.270 nan 0.000 0.459 23 D N 1.701 122.102 120.400 0.000 0.000 2.326 23 D HA 0.718 5.358 4.640 -0.000 0.000 0.251 23 D C -1.531 174.763 176.300 -0.009 0.000 1.023 23 D CA -0.150 53.849 54.000 -0.001 0.000 0.966 23 D CB 1.927 42.731 40.800 0.007 0.000 1.156 23 D HN 0.664 nan 8.370 nan 0.000 0.494 24 A N 1.468 124.280 122.820 -0.014 0.000 2.594 24 A HA 0.471 4.791 4.320 -0.000 0.000 0.296 24 A C -2.650 174.923 177.584 -0.019 0.000 1.056 24 A CA -1.006 51.020 52.037 -0.019 0.000 0.693 24 A CB 1.740 20.723 19.000 -0.028 0.000 1.278 24 A HN 0.485 nan 8.150 nan 0.000 0.408 25 P HA 0.117 nan 4.420 nan 0.000 0.246 25 P C 0.411 177.697 177.300 -0.023 0.000 1.686 25 P CA 0.458 63.549 63.100 -0.015 0.000 0.867 25 P CB -0.754 30.940 31.700 -0.010 0.000 1.733 26 T N -2.779 111.754 114.554 -0.035 0.000 2.862 26 T HA 0.334 4.684 4.350 -0.000 0.000 0.276 26 T C 1.079 175.747 174.700 -0.054 0.000 0.974 26 T CA -0.594 61.476 62.100 -0.049 0.000 0.966 26 T CB 1.766 70.593 68.868 -0.068 0.000 1.072 26 T HN -0.067 nan 8.240 nan 0.000 0.538 27 K N -0.544 119.818 120.400 -0.063 0.000 2.352 27 K HA 0.280 4.600 4.320 -0.000 0.000 0.194 27 K C 0.072 176.610 176.600 -0.103 0.000 1.038 27 K CA 0.063 56.313 56.287 -0.063 0.000 1.023 27 K CB 0.295 32.766 32.500 -0.048 0.000 0.840 27 K HN 0.441 nan 8.250 nan 0.000 0.519 28 I N 0.740 121.223 120.570 -0.145 0.000 2.530 28 I HA 0.245 4.415 4.170 -0.000 0.000 0.297 28 I C -0.260 175.661 176.117 -0.326 0.000 1.011 28 I CA -0.413 60.744 61.300 -0.240 0.000 1.107 28 I CB 1.943 39.821 38.000 -0.205 0.000 1.285 28 I HN -0.160 nan 8.210 nan 0.000 0.436 29 S N 2.590 117.932 115.700 -0.597 0.000 2.599 29 S HA 0.765 5.235 4.470 -0.000 0.000 0.287 29 S C -0.336 173.730 174.600 -0.890 0.000 1.105 29 S CA -0.691 57.104 58.200 -0.675 0.000 0.899 29 S CB 2.467 65.249 63.200 -0.698 0.000 1.100 29 S HN 0.714 nan 8.310 nan 0.000 0.482 30 T N 0.038 114.302 114.554 -0.482 0.000 2.876 30 T HA 0.722 5.072 4.350 -0.000 0.000 0.289 30 T C -1.134 173.538 174.700 -0.046 0.000 1.014 30 T CA -0.790 61.143 62.100 -0.277 0.000 0.986 30 T CB 1.182 69.958 68.868 -0.153 0.000 1.021 30 T HN 0.419 nan 8.240 nan 0.000 0.458 31 L N 2.175 123.485 121.223 0.146 0.000 2.385 31 L HA 0.832 5.172 4.340 -0.000 0.000 0.273 31 L C -0.959 176.011 176.870 0.167 0.000 0.990 31 L CA -0.672 54.300 54.840 0.221 0.000 0.821 31 L CB 1.355 43.648 42.059 0.390 0.000 1.279 31 L HN 1.149 nan 8.230 nan 0.000 0.412 32 A N 4.657 127.545 122.820 0.113 0.000 2.374 32 A HA 0.714 5.034 4.320 -0.000 0.000 0.305 32 A C -1.356 176.263 177.584 0.060 0.000 1.053 32 A CA -0.446 51.641 52.037 0.082 0.000 0.726 32 A CB 1.810 20.824 19.000 0.024 0.000 1.229 32 A HN 0.376 nan 8.150 nan 0.000 0.431 33 V N 3.914 123.866 119.914 0.063 0.000 2.284 33 V HA 0.241 4.360 4.120 -0.000 0.000 0.274 33 V C -0.193 175.907 176.094 0.009 0.000 1.023 33 V CA -0.488 61.832 62.300 0.033 0.000 0.808 33 V CB 0.956 32.795 31.823 0.028 0.000 1.035 33 V HN 0.830 nan 8.190 nan 0.000 0.445 34 K N 3.847 124.218 120.400 -0.049 0.000 2.276 34 K HA 0.600 4.919 4.320 -0.000 0.000 0.285 34 K C -0.785 175.828 176.600 0.022 0.000 1.062 34 K CA -0.437 55.774 56.287 -0.127 0.000 0.918 34 K CB 1.953 34.161 32.500 -0.485 0.000 1.055 34 K HN 0.388 nan 8.250 nan 0.000 0.477 35 V N 3.761 123.764 119.914 0.147 0.000 2.417 35 V HA 0.079 4.199 4.120 -0.000 0.000 0.291 35 V C 0.224 176.439 176.094 0.203 0.000 1.024 35 V CA -0.908 61.509 62.300 0.194 0.000 0.861 35 V CB 1.232 33.218 31.823 0.271 0.000 0.985 35 V HN 0.755 nan 8.190 nan 0.000 0.436 36 H N 4.351 123.509 119.070 0.147 0.000 3.195 36 H HA 0.231 4.787 4.556 -0.000 0.000 0.241 36 H C 0.899 176.068 175.328 -0.266 0.000 1.823 36 H CA 0.557 56.555 56.048 -0.082 0.000 1.466 36 H CB 0.335 29.932 29.762 -0.276 0.000 1.819 36 H HN 0.848 nan 8.280 nan 0.000 0.575 37 G N 1.486 110.375 108.800 0.148 0.000 4.773 37 G HA2 0.176 4.136 3.960 -0.000 0.000 0.269 37 G HA3 0.176 4.136 3.960 -0.000 0.000 0.269 37 G C 0.843 176.040 174.900 0.494 0.000 0.992 37 G CA -0.044 45.200 45.100 0.240 0.000 0.775 37 G HN 0.572 nan 8.290 nan 0.000 0.471 38 G N 0.535 109.620 108.800 0.475 0.000 2.583 38 G HA2 0.340 4.300 3.960 -0.000 0.000 0.275 38 G HA3 0.340 4.300 3.960 -0.000 0.000 0.275 38 G C 1.531 176.572 174.900 0.235 0.000 1.342 38 G CA 0.677 45.959 45.100 0.303 0.000 1.030 38 G HN 0.685 nan 8.290 nan 0.000 0.520 39 S N -0.983 114.763 115.700 0.077 0.000 2.440 39 S HA -0.175 4.294 4.470 -0.000 0.000 0.238 39 S C 2.051 176.603 174.600 -0.079 0.000 1.010 39 S CA 1.294 59.489 58.200 -0.009 0.000 0.972 39 S CB -0.277 62.891 63.200 -0.054 0.000 0.774 39 S HN 0.607 nan 8.310 nan 0.000 0.501 40 R N 0.364 120.742 120.500 -0.203 0.000 2.152 40 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 40 R C 0.993 177.048 176.300 -0.409 0.000 1.117 40 R CA 1.398 57.248 56.100 -0.416 0.000 0.981 40 R CB -0.290 29.571 30.300 -0.732 0.000 0.870 40 R HN 0.666 nan 8.270 nan 0.000 0.451 41 Y N -0.326 120.017 120.300 0.072 0.000 2.462 41 Y HA 0.328 4.878 4.550 -0.000 0.000 0.261 41 Y C 0.886 176.951 175.900 0.276 0.000 1.146 41 Y CA -0.144 58.051 58.100 0.159 0.000 1.283 41 Y CB 0.256 38.827 38.460 0.186 0.000 1.090 41 Y HN 0.006 nan 8.280 nan 0.000 0.526 42 A N 0.736 123.673 122.820 0.194 0.000 2.561 42 A HA 0.019 4.339 4.320 -0.000 0.000 0.251 42 A C 1.342 178.906 177.584 -0.033 0.000 1.062 42 A CA 0.692 52.648 52.037 -0.135 0.000 0.761 42 A CB -0.062 18.804 19.000 -0.223 0.000 0.986 42 A HN 0.435 nan 8.150 nan 0.000 0.510 43 T N 2.347 116.887 114.554 -0.023 0.000 2.821 43 T HA -0.035 4.315 4.350 -0.000 0.000 0.267 43 T C 0.870 175.555 174.700 -0.024 0.000 1.046 43 T CA 1.574 63.700 62.100 0.044 0.000 1.139 43 T CB -0.076 68.854 68.868 0.103 0.000 0.871 43 T HN 0.686 nan 8.240 nan 0.000 0.454 44 K N 1.040 121.385 120.400 -0.092 0.000 2.435 44 K HA 0.304 4.624 4.320 -0.000 0.000 0.251 44 K C -1.613 174.949 176.600 -0.063 0.000 0.954 44 K CA -0.915 55.337 56.287 -0.057 0.000 0.820 44 K CB 1.571 34.044 32.500 -0.044 0.000 1.292 44 K HN -0.106 nan 8.250 nan 0.000 0.436 45 D N 1.096 121.490 120.400 -0.011 0.000 2.479 45 D HA 0.083 4.723 4.640 -0.000 0.000 0.257 45 D C 1.135 177.494 176.300 0.098 0.000 1.230 45 D CA 1.593 55.602 54.000 0.015 0.000 0.912 45 D CB 0.387 41.191 40.800 0.007 0.000 1.130 45 D HN 0.825 nan 8.370 nan 0.000 0.515 46 G N 1.231 110.078 108.800 0.077 0.000 2.194 46 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.236 46 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.236 46 G C 1.250 176.158 174.900 0.013 0.000 0.987 46 G CA 0.147 45.363 45.100 0.193 0.000 0.635 46 G HN 0.446 nan 8.290 nan 0.000 0.520 47 V N 0.882 120.687 119.914 -0.180 0.000 2.515 47 V HA 0.049 4.169 4.120 -0.000 0.000 0.250 47 V C 3.168 179.024 176.094 -0.396 0.000 1.058 47 V CA 2.859 64.949 62.300 -0.350 0.000 1.064 47 V CB -0.951 30.566 31.823 -0.510 0.000 0.675 47 V HN 0.940 nan 8.190 nan 0.000 0.461 48 A N -0.237 122.318 122.820 -0.443 0.000 1.930 48 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 48 A C 2.193 179.853 177.584 0.127 0.000 1.175 48 A CA 2.065 54.017 52.037 -0.142 0.000 0.627 48 A CB -0.753 18.240 19.000 -0.011 0.000 0.815 48 A HN 0.676 nan 8.150 nan 0.000 0.443 49 H N 0.299 119.369 119.070 0.001 0.000 2.326 49 H HA 0.014 4.570 4.556 -0.000 0.000 0.301 49 H C 1.727 177.100 175.328 0.074 0.000 1.081 49 H CA 1.905 57.992 56.048 0.066 0.000 1.334 49 H CB -0.479 29.334 29.762 0.085 0.000 1.385 49 H HN 0.350 nan 8.280 nan 0.000 0.504 50 L N -0.416 120.756 121.223 -0.085 0.000 2.083 50 L HA -0.152 4.187 4.340 -0.000 0.000 0.209 50 L C 2.541 179.482 176.870 0.119 0.000 1.083 50 L CA 1.021 55.781 54.840 -0.134 0.000 0.752 50 L CB -0.463 41.460 42.059 -0.226 0.000 0.899 50 L HN 0.280 nan 8.230 nan 0.000 0.433 51 L N 0.158 121.484 121.223 0.172 0.000 2.056 51 L HA -0.215 4.125 4.340 -0.000 0.000 0.207 51 L C 2.215 179.277 176.870 0.319 0.000 1.078 51 L CA 1.731 56.754 54.840 0.305 0.000 0.749 51 L CB -0.956 41.279 42.059 0.295 0.000 0.901 51 L HN 0.286 nan 8.230 nan 0.000 0.433 52 N N -0.530 118.334 118.700 0.274 0.000 2.104 52 N HA -0.259 4.480 4.740 -0.000 0.000 0.190 52 N C 1.938 177.595 175.510 0.245 0.000 1.024 52 N CA 1.071 54.287 53.050 0.277 0.000 0.853 52 N CB 0.034 38.700 38.487 0.298 0.000 1.008 52 N HN 0.196 nan 8.380 nan 0.000 0.424 53 R N -0.149 120.463 120.500 0.186 0.000 2.148 53 R HA 0.080 4.420 4.340 -0.000 0.000 0.223 53 R C 1.695 178.040 176.300 0.074 0.000 1.088 53 R CA 0.709 56.872 56.100 0.104 0.000 0.985 53 R CB -0.639 29.640 30.300 -0.034 0.000 0.880 53 R HN 0.292 nan 8.270 nan 0.000 0.451 54 F N 0.300 120.296 119.950 0.076 0.000 2.367 54 F HA 0.081 4.607 4.527 -0.000 0.000 0.298 54 F C 0.326 176.104 175.800 -0.037 0.000 1.094 54 F CA 0.210 58.234 58.000 0.039 0.000 1.409 54 F CB 0.067 39.149 39.000 0.137 0.000 1.064 54 F HN -0.002 nan 8.300 nan 0.000 0.528 55 N N 0.607 119.417 118.700 0.184 0.000 2.412 55 N HA -0.026 4.714 4.740 -0.000 0.000 0.258 55 N C -0.455 175.028 175.510 -0.044 0.000 1.236 55 N CA 0.520 53.521 53.050 -0.081 0.000 0.882 55 N CB 0.002 38.411 38.487 -0.130 0.000 1.066 55 N HN 0.171 nan 8.380 nan 0.000 0.465 56 F N -1.836 118.095 119.950 -0.033 0.000 2.582 56 F HA -0.271 4.256 4.527 -0.000 0.000 0.350 56 F C 0.990 176.750 175.800 -0.067 0.000 0.615 56 F CA 0.192 58.137 58.000 -0.091 0.000 1.488 56 F CB -1.054 37.908 39.000 -0.064 0.000 1.958 56 F HN 0.517 nan 8.300 nan 0.000 0.294 57 Q N 0.756 120.593 119.800 0.062 0.000 2.335 57 Q HA 0.251 4.591 4.340 -0.000 0.000 0.180 57 Q C 0.479 176.477 176.000 -0.004 0.000 1.101 57 Q CA -0.229 55.596 55.803 0.035 0.000 1.165 57 Q CB 0.179 28.949 28.738 0.053 0.000 1.220 57 Q HN 0.116 nan 8.270 nan 0.000 0.626 58 N N 1.092 119.789 118.700 -0.004 0.000 2.454 58 N HA 0.026 4.765 4.740 -0.000 0.000 0.254 58 N C -0.143 175.316 175.510 -0.085 0.000 1.228 58 N CA 0.305 53.340 53.050 -0.026 0.000 0.900 58 N CB 0.375 38.862 38.487 0.001 0.000 1.089 58 N HN 0.489 nan 8.380 nan 0.000 0.449 59 T N -1.565 112.939 114.554 -0.084 0.000 2.948 59 T HA 0.342 4.692 4.350 -0.000 0.000 0.285 59 T C 1.042 175.703 174.700 -0.065 0.000 1.019 59 T CA -0.839 61.196 62.100 -0.108 0.000 1.013 59 T CB 0.959 69.761 68.868 -0.110 0.000 1.117 59 T HN 0.210 nan 8.240 nan 0.000 0.533 60 N N 0.693 119.361 118.700 -0.054 0.000 2.348 60 N HA -0.071 4.669 4.740 -0.000 0.000 0.185 60 N C 1.804 177.304 175.510 -0.016 0.000 1.019 60 N CA 1.839 54.873 53.050 -0.026 0.000 0.880 60 N CB -0.419 38.060 38.487 -0.013 0.000 0.965 60 N HN 0.923 nan 8.380 nan 0.000 0.437 61 T N -3.642 110.897 114.554 -0.025 0.000 2.985 61 T HA 0.258 4.608 4.350 -0.000 0.000 0.254 61 T C 0.659 175.343 174.700 -0.028 0.000 1.021 61 T CA -0.354 61.732 62.100 -0.023 0.000 0.957 61 T CB 0.903 69.754 68.868 -0.028 0.000 1.047 61 T HN -0.008 nan 8.240 nan 0.000 0.511 62 R N 1.773 122.251 120.500 -0.036 0.000 2.522 62 R HA 0.496 4.836 4.340 -0.000 0.000 0.283 62 R C -0.711 175.576 176.300 -0.023 0.000 1.074 62 R CA -0.304 55.778 56.100 -0.031 0.000 0.925 62 R CB 1.822 32.091 30.300 -0.051 0.000 1.205 62 R HN 0.309 nan 8.270 nan 0.000 0.436 63 S N 2.730 118.429 115.700 -0.001 0.000 2.593 63 S HA 0.251 4.720 4.470 -0.000 0.000 0.269 63 S C 1.351 175.960 174.600 0.015 0.000 1.334 63 S CA -0.078 58.129 58.200 0.012 0.000 1.015 63 S CB 1.667 64.883 63.200 0.027 0.000 0.912 63 S HN 0.764 nan 8.310 nan 0.000 0.541 64 A N 1.510 124.345 122.820 0.024 0.000 1.940 64 A HA -0.058 4.261 4.320 -0.000 0.000 0.219 64 A C 2.015 179.625 177.584 0.043 0.000 1.176 64 A CA 1.633 53.692 52.037 0.036 0.000 0.631 64 A CB -1.012 18.015 19.000 0.044 0.000 0.814 64 A HN 0.982 nan 8.150 nan 0.000 0.446 65 L N -0.103 121.144 121.223 0.039 0.000 2.017 65 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 65 L C 2.302 179.198 176.870 0.042 0.000 1.073 65 L CA 2.744 57.607 54.840 0.038 0.000 0.745 65 L CB -0.558 41.520 42.059 0.031 0.000 0.894 65 L HN 0.438 nan 8.230 nan 0.000 0.432 66 K N -0.993 119.429 120.400 0.038 0.000 2.097 66 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 66 K C 2.142 178.783 176.600 0.069 0.000 1.049 66 K CA 1.640 57.953 56.287 0.043 0.000 0.933 66 K CB -0.316 32.204 32.500 0.033 0.000 0.717 66 K HN 0.312 nan 8.250 nan 0.000 0.442 67 L N 0.795 122.058 121.223 0.066 0.000 2.012 67 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 67 L C 1.987 178.960 176.870 0.172 0.000 1.073 67 L CA 1.573 56.475 54.840 0.104 0.000 0.748 67 L CB -0.544 41.524 42.059 0.016 0.000 0.891 67 L HN 0.014 nan 8.230 nan 0.000 0.431 68 V N 0.213 120.204 119.914 0.128 0.000 2.295 68 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 68 V C 2.813 178.965 176.094 0.096 0.000 1.049 68 V CA 1.879 64.257 62.300 0.130 0.000 1.024 68 V CB -0.809 31.065 31.823 0.085 0.000 0.648 68 V HN 0.453 nan 8.190 nan 0.000 0.447 69 R N 0.064 120.604 120.500 0.068 0.000 2.075 69 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 69 R C 2.133 178.451 176.300 0.030 0.000 1.126 69 R CA 1.274 57.398 56.100 0.041 0.000 0.963 69 R CB -0.634 29.684 30.300 0.030 0.000 0.858 69 R HN 0.612 nan 8.270 nan 0.000 0.435 70 E N 0.931 121.158 120.200 0.046 0.000 2.047 70 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 70 E C 2.008 178.567 176.600 -0.068 0.000 0.987 70 E CA 1.713 58.112 56.400 -0.002 0.000 0.799 70 E CB 0.025 29.765 29.700 0.067 0.000 0.752 70 E HN 0.373 nan 8.360 nan 0.000 0.449 71 S N 0.911 116.634 115.700 0.038 0.000 2.399 71 S HA -0.174 4.296 4.470 -0.000 0.000 0.231 71 S C 1.745 176.359 174.600 0.023 0.000 1.022 71 S CA 0.981 59.206 58.200 0.042 0.000 0.983 71 S CB -0.272 63.098 63.200 0.282 0.000 0.803 71 S HN 0.239 nan 8.310 nan 0.000 0.480 72 E N 0.714 120.928 120.200 0.025 0.000 2.072 72 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 72 E C 1.856 178.448 176.600 -0.013 0.000 0.985 72 E CA 0.771 57.176 56.400 0.008 0.000 0.801 72 E CB -0.221 29.486 29.700 0.012 0.000 0.750 72 E HN 0.287 nan 8.360 nan 0.000 0.452 73 L N 0.556 121.762 121.223 -0.029 0.000 2.046 73 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 73 L C 2.107 178.944 176.870 -0.055 0.000 1.077 73 L CA 1.600 56.415 54.840 -0.041 0.000 0.747 73 L CB -0.750 41.280 42.059 -0.049 0.000 0.896 73 L HN 0.192 nan 8.230 nan 0.000 0.432 74 L N -2.154 119.018 121.223 -0.085 0.000 2.558 74 L HA 0.479 4.819 4.340 -0.000 0.000 0.225 74 L C 1.110 177.978 176.870 -0.004 0.000 1.128 74 L CA 0.407 55.202 54.840 -0.074 0.000 0.868 74 L CB -1.185 40.772 42.059 -0.171 0.000 1.006 74 L HN 0.216 nan 8.230 nan 0.000 0.454 75 G N -0.973 107.830 108.800 0.004 0.000 2.638 75 G HA2 0.250 4.209 3.960 -0.000 0.000 0.269 75 G HA3 0.250 4.209 3.960 -0.000 0.000 0.269 75 G C 0.041 174.953 174.900 0.020 0.000 1.141 75 G CA -0.287 44.818 45.100 0.008 0.000 1.081 75 G HN 0.851 nan 8.290 nan 0.000 0.527 76 G N -0.863 107.953 108.800 0.028 0.000 2.704 76 G HA2 1.087 5.047 3.960 -0.000 0.000 0.293 76 G HA3 1.087 5.047 3.960 -0.000 0.000 0.293 76 G C -0.462 174.357 174.900 -0.135 0.000 1.421 76 G CA 0.634 45.700 45.100 -0.056 0.000 0.870 76 G HN 1.713 nan 8.290 nan 0.000 0.492 77 T N -1.766 112.615 114.554 -0.289 0.000 2.903 77 T HA 0.792 5.142 4.350 -0.000 0.000 0.299 77 T C -1.125 173.281 174.700 -0.490 0.000 1.093 77 T CA -0.752 61.177 62.100 -0.284 0.000 1.002 77 T CB 1.838 70.627 68.868 -0.132 0.000 1.127 77 T HN 0.328 nan 8.240 nan 0.000 0.488 78 F N 0.645 120.494 119.950 -0.168 0.000 2.561 78 F HA 0.862 5.388 4.527 -0.000 0.000 0.321 78 F C 0.131 175.690 175.800 -0.402 0.000 1.065 78 F CA -0.882 56.858 58.000 -0.433 0.000 0.934 78 F CB 2.388 40.735 39.000 -1.088 0.000 1.215 78 F HN 0.694 nan 8.300 nan 0.000 0.471 79 K N 0.763 121.121 120.400 -0.070 0.000 2.572 79 K HA 0.483 4.803 4.320 -0.000 0.000 0.263 79 K C -1.743 175.071 176.600 0.357 0.000 0.932 79 K CA -0.452 55.901 56.287 0.109 0.000 0.838 79 K CB 2.094 34.649 32.500 0.092 0.000 1.366 79 K HN 0.460 nan 8.250 nan 0.000 0.425 80 S N 2.193 118.133 115.700 0.401 0.000 2.596 80 S HA 0.633 5.103 4.470 -0.000 0.000 0.318 80 S C -1.137 173.620 174.600 0.262 0.000 1.097 80 S CA -0.347 58.086 58.200 0.388 0.000 1.080 80 S CB 0.736 64.182 63.200 0.410 0.000 0.991 80 S HN 0.549 nan 8.310 nan 0.000 0.471 81 T N 4.996 119.680 114.554 0.217 0.000 2.859 81 T HA 0.560 4.910 4.350 -0.000 0.000 0.281 81 T C -0.845 173.964 174.700 0.182 0.000 1.005 81 T CA -0.434 61.770 62.100 0.173 0.000 1.025 81 T CB 1.202 70.149 68.868 0.131 0.000 0.977 81 T HN 0.558 nan 8.240 nan 0.000 0.458 82 L N 3.818 125.137 121.223 0.160 0.000 2.341 82 L HA 0.745 5.085 4.340 -0.000 0.000 0.278 82 L C -0.916 176.023 176.870 0.116 0.000 1.005 82 L CA -0.260 54.676 54.840 0.159 0.000 0.818 82 L CB 1.366 43.516 42.059 0.152 0.000 1.259 82 L HN 0.833 nan 8.230 nan 0.000 0.418 83 D N 1.546 122.032 120.400 0.143 0.000 2.636 83 D HA 0.437 5.077 4.640 -0.000 0.000 0.275 83 D C 0.483 176.844 176.300 0.102 0.000 1.130 83 D CA -0.693 53.375 54.000 0.114 0.000 1.031 83 D CB 0.921 41.814 40.800 0.155 0.000 1.451 83 D HN 0.229 nan 8.370 nan 0.000 0.505 84 R N -0.689 119.855 120.500 0.073 0.000 2.127 84 R HA -0.028 4.312 4.340 -0.000 0.000 0.238 84 R C 1.602 177.914 176.300 0.021 0.000 1.134 84 R CA 1.773 57.874 56.100 0.001 0.000 0.975 84 R CB -0.332 29.955 30.300 -0.022 0.000 0.865 84 R HN 0.642 nan 8.270 nan 0.000 0.447 85 E N -1.620 118.666 120.200 0.143 0.000 2.132 85 E HA 0.075 4.425 4.350 -0.000 0.000 0.193 85 E C -0.430 176.161 176.600 -0.015 0.000 0.951 85 E CA 0.720 57.134 56.400 0.024 0.000 0.843 85 E CB 0.167 29.846 29.700 -0.035 0.000 0.807 85 E HN 0.187 nan 8.360 nan 0.000 0.467 86 Y N -0.688 119.730 120.300 0.196 0.000 2.650 86 Y HA 0.557 5.107 4.550 -0.000 0.000 0.331 86 Y C -0.195 175.798 175.900 0.156 0.000 1.082 86 Y CA -1.078 57.101 58.100 0.132 0.000 1.171 86 Y CB 1.365 39.848 38.460 0.038 0.000 1.326 86 Y HN -0.172 nan 8.280 nan 0.000 0.513 87 I N 1.340 122.128 120.570 0.362 0.000 2.476 87 I HA 0.256 4.426 4.170 -0.000 0.000 0.281 87 I C -1.165 175.096 176.117 0.242 0.000 1.040 87 I CA -0.313 61.163 61.300 0.293 0.000 1.094 87 I CB 1.519 39.710 38.000 0.319 0.000 1.219 87 I HN 0.594 nan 8.210 nan 0.000 0.450 88 T N 7.165 121.834 114.554 0.192 0.000 2.758 88 T HA 0.516 4.866 4.350 -0.000 0.000 0.285 88 T C -0.299 174.505 174.700 0.174 0.000 0.981 88 T CA -0.457 61.717 62.100 0.125 0.000 0.965 88 T CB 1.037 69.936 68.868 0.052 0.000 0.927 88 T HN 0.137 nan 8.240 nan 0.000 0.448 89 L N 3.949 125.275 121.223 0.172 0.000 2.257 89 L HA 0.517 4.857 4.340 -0.000 0.000 0.290 89 L C 0.319 177.367 176.870 0.296 0.000 1.044 89 L CA -0.058 54.951 54.840 0.282 0.000 0.810 89 L CB 0.673 42.832 42.059 0.166 0.000 1.193 89 L HN 0.436 nan 8.230 nan 0.000 0.425 90 K N 2.542 123.142 120.400 0.333 0.000 2.259 90 K HA 0.927 5.247 4.320 -0.000 0.000 0.249 90 K C -1.272 175.485 176.600 0.262 0.000 0.942 90 K CA -0.661 55.770 56.287 0.240 0.000 0.816 90 K CB 1.893 34.474 32.500 0.135 0.000 1.155 90 K HN 0.639 nan 8.250 nan 0.000 0.428 91 A N 2.051 124.999 122.820 0.213 0.000 2.393 91 A HA 0.591 4.911 4.320 -0.000 0.000 0.306 91 A C -1.247 176.363 177.584 0.044 0.000 1.050 91 A CA -0.648 51.453 52.037 0.107 0.000 0.724 91 A CB 1.829 20.986 19.000 0.261 0.000 1.248 91 A HN 0.622 nan 8.150 nan 0.000 0.424 92 T N 2.486 116.966 114.554 -0.123 0.000 2.841 92 T HA 0.736 5.086 4.350 -0.000 0.000 0.285 92 T C -0.788 173.733 174.700 -0.298 0.000 0.991 92 T CA -0.111 61.836 62.100 -0.255 0.000 0.966 92 T CB 0.307 69.055 68.868 -0.199 0.000 0.962 92 T HN 0.948 nan 8.240 nan 0.000 0.438 93 F N 0.038 119.709 119.950 -0.465 0.000 2.877 93 F HA 0.655 5.182 4.527 -0.000 0.000 0.319 93 F C -1.818 173.810 175.800 -0.287 0.000 1.174 93 F CA -1.867 55.828 58.000 -0.508 0.000 0.903 93 F CB 0.779 39.111 39.000 -1.114 0.000 1.357 93 F HN 0.268 nan 8.300 nan 0.000 0.472 94 L N 2.609 123.847 121.223 0.024 0.000 2.418 94 L HA 0.235 4.575 4.340 -0.000 0.000 0.274 94 L C 1.660 178.612 176.870 0.137 0.000 1.135 94 L CA -0.208 54.642 54.840 0.017 0.000 0.870 94 L CB 1.031 43.119 42.059 0.048 0.000 1.154 94 L HN 0.861 nan 8.230 nan 0.000 0.462 95 K N 2.081 122.478 120.400 -0.006 0.000 2.090 95 K HA -0.282 4.038 4.320 -0.000 0.000 0.218 95 K C 1.025 177.745 176.600 0.200 0.000 1.055 95 K CA 2.521 58.841 56.287 0.055 0.000 0.941 95 K CB 0.091 32.589 32.500 -0.003 0.000 0.722 95 K HN 0.677 nan 8.250 nan 0.000 0.458 96 D N 0.531 121.019 120.400 0.146 0.000 2.351 96 D HA -0.094 4.546 4.640 -0.000 0.000 0.216 96 D C 0.510 176.898 176.300 0.146 0.000 0.968 96 D CA 0.855 54.937 54.000 0.136 0.000 0.899 96 D CB -0.054 40.798 40.800 0.086 0.000 0.907 96 D HN 0.292 nan 8.370 nan 0.000 0.514 97 D N -0.119 120.408 120.400 0.211 0.000 2.325 97 D HA 0.002 4.642 4.640 -0.000 0.000 0.225 97 D C 1.980 178.330 176.300 0.083 0.000 1.096 97 D CA -0.200 53.895 54.000 0.159 0.000 0.844 97 D CB 0.289 41.232 40.800 0.238 0.000 0.925 97 D HN 0.129 nan 8.370 nan 0.000 0.513 98 L N 2.497 123.794 121.223 0.124 0.000 2.010 98 L HA -0.184 4.156 4.340 -0.000 0.000 0.219 98 L C -0.760 175.976 176.870 -0.222 0.000 1.077 98 L CA 2.417 57.274 54.840 0.029 0.000 0.773 98 L CB -1.415 40.800 42.059 0.260 0.000 0.892 98 L HN 0.033 nan 8.230 nan 0.000 0.436 99 P HA -0.290 nan 4.420 nan 0.000 0.216 99 P C 1.594 178.677 177.300 -0.361 0.000 1.153 99 P CA 1.976 64.592 63.100 -0.808 0.000 0.858 99 P CB -0.433 30.648 31.700 -1.031 0.000 0.789 100 Y N 0.123 120.206 120.300 -0.362 0.000 2.128 100 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 100 Y C 2.501 178.151 175.900 -0.416 0.000 1.154 100 Y CA 1.803 59.674 58.100 -0.382 0.000 1.149 100 Y CB -1.136 37.045 38.460 -0.465 0.000 0.976 100 Y HN -0.180 nan 8.280 nan 0.000 0.505 101 Y N -1.378 118.843 120.300 -0.133 0.000 2.352 101 Y HA -0.172 4.377 4.550 -0.000 0.000 0.292 101 Y C 2.436 178.290 175.900 -0.077 0.000 1.136 101 Y CA 1.246 59.274 58.100 -0.119 0.000 1.227 101 Y CB -0.663 37.462 38.460 -0.558 0.000 0.991 101 Y HN -0.017 nan 8.280 nan 0.000 0.545 102 V N 0.207 120.110 119.914 -0.018 0.000 2.358 102 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 102 V C 1.621 177.679 176.094 -0.060 0.000 1.047 102 V CA 2.221 64.526 62.300 0.010 0.000 1.035 102 V CB -0.665 31.174 31.823 0.027 0.000 0.658 102 V HN 0.456 nan 8.190 nan 0.000 0.452 103 N N 0.096 118.698 118.700 -0.164 0.000 2.188 103 N HA -0.089 4.651 4.740 -0.000 0.000 0.184 103 N C 1.904 177.268 175.510 -0.243 0.000 1.018 103 N CA 1.137 54.062 53.050 -0.209 0.000 0.858 103 N CB -0.284 38.043 38.487 -0.267 0.000 0.989 103 N HN 0.476 nan 8.380 nan 0.000 0.426 104 A N 1.135 123.774 122.820 -0.302 0.000 1.858 104 A HA -0.095 4.224 4.320 -0.000 0.000 0.216 104 A C 2.095 179.577 177.584 -0.171 0.000 1.190 104 A CA 1.061 52.920 52.037 -0.297 0.000 0.617 104 A CB -0.805 18.015 19.000 -0.300 0.000 0.827 104 A HN 0.177 nan 8.150 nan 0.000 0.443 105 L N -0.788 120.421 121.223 -0.024 0.000 2.083 105 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 105 L C 3.066 179.859 176.870 -0.129 0.000 1.083 105 L CA 0.978 55.807 54.840 -0.019 0.000 0.752 105 L CB -0.550 41.583 42.059 0.122 0.000 0.899 105 L HN 0.458 nan 8.230 nan 0.000 0.433 106 A N -0.074 122.682 122.820 -0.108 0.000 1.898 106 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 106 A C 1.887 179.399 177.584 -0.120 0.000 1.181 106 A CA 1.847 53.816 52.037 -0.114 0.000 0.620 106 A CB -0.470 18.468 19.000 -0.103 0.000 0.819 106 A HN 0.335 nan 8.150 nan 0.000 0.442 107 D N -0.181 120.134 120.400 -0.141 0.000 2.178 107 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 107 D C 2.003 178.215 176.300 -0.146 0.000 0.980 107 D CA 1.291 55.222 54.000 -0.115 0.000 0.842 107 D CB -0.363 40.346 40.800 -0.151 0.000 0.948 107 D HN 0.250 nan 8.370 nan 0.000 0.472 108 V N 0.968 120.733 119.914 -0.249 0.000 2.307 108 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 108 V C 2.580 178.479 176.094 -0.325 0.000 1.045 108 V CA 1.121 63.214 62.300 -0.347 0.000 1.024 108 V CB -0.447 31.038 31.823 -0.564 0.000 0.651 108 V HN 0.221 nan 8.190 nan 0.000 0.449 109 L N -1.590 119.406 121.223 -0.378 0.000 2.093 109 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 109 L C 2.475 179.278 176.870 -0.111 0.000 1.085 109 L CA 1.890 56.433 54.840 -0.496 0.000 0.755 109 L CB -0.616 41.120 42.059 -0.538 0.000 0.904 109 L HN 0.374 nan 8.230 nan 0.000 0.435 110 Y N 1.613 121.817 120.300 -0.160 0.000 2.314 110 Y HA -0.096 4.454 4.550 -0.000 0.000 0.294 110 Y C 1.524 177.391 175.900 -0.055 0.000 1.119 110 Y CA 0.883 58.935 58.100 -0.080 0.000 1.179 110 Y CB 0.474 38.883 38.460 -0.085 0.000 1.025 110 Y HN 0.086 nan 8.280 nan 0.000 0.541 111 K N 0.378 120.776 120.400 -0.003 0.000 3.350 111 K HA 0.243 4.563 4.320 -0.000 0.000 0.181 111 K C -0.671 175.851 176.600 -0.130 0.000 1.064 111 K CA -0.216 56.031 56.287 -0.066 0.000 0.839 111 K CB -0.265 32.264 32.500 0.047 0.000 0.819 111 K HN 0.059 nan 8.250 nan 0.000 0.523 112 T N -2.080 112.330 114.554 -0.239 0.000 2.884 112 T HA 0.361 4.711 4.350 -0.000 0.000 0.298 112 T C 1.454 175.906 174.700 -0.412 0.000 0.998 112 T CA -0.174 61.668 62.100 -0.431 0.000 1.124 112 T CB 1.790 70.173 68.868 -0.808 0.000 0.931 112 T HN 0.311 nan 8.240 nan 0.000 0.531 113 A N 2.840 125.495 122.820 -0.274 0.000 1.933 113 A HA 0.137 4.456 4.320 -0.000 0.000 0.218 113 A C 1.098 178.651 177.584 -0.052 0.000 1.175 113 A CA 0.626 52.589 52.037 -0.123 0.000 0.628 113 A CB -1.169 17.794 19.000 -0.062 0.000 0.814 113 A HN 1.075 nan 8.150 nan 0.000 0.444 114 F N -1.206 118.649 119.950 -0.159 0.000 3.039 114 F HA -0.165 4.362 4.527 -0.000 0.000 0.287 114 F C 0.276 176.007 175.800 -0.116 0.000 0.956 114 F CA 0.351 58.130 58.000 -0.368 0.000 0.971 114 F CB -1.804 36.903 39.000 -0.488 0.000 0.943 114 F HN 0.124 nan 8.300 nan 0.000 0.766 115 K N 0.343 120.804 120.400 0.103 0.000 2.326 115 K HA 0.165 4.485 4.320 -0.000 0.000 0.275 115 K C -1.332 175.278 176.600 0.017 0.000 1.018 115 K CA -1.423 54.846 56.287 -0.030 0.000 0.962 115 K CB 0.454 32.768 32.500 -0.310 0.000 0.953 115 K HN -0.043 nan 8.250 nan 0.000 0.475 116 P HA -0.189 nan 4.420 nan 0.000 0.215 116 P C 1.196 178.543 177.300 0.078 0.000 1.153 116 P CA 1.397 64.544 63.100 0.078 0.000 0.853 116 P CB -0.063 31.683 31.700 0.076 0.000 0.788 117 H N -0.332 118.788 119.070 0.083 0.000 2.456 117 H HA -0.010 4.546 4.556 -0.000 0.000 0.296 117 H C 1.336 176.685 175.328 0.036 0.000 1.079 117 H CA 1.072 57.151 56.048 0.051 0.000 1.322 117 H CB -0.575 29.209 29.762 0.037 0.000 1.388 117 H HN 0.216 nan 8.280 nan 0.000 0.538 118 E N 0.602 120.669 120.200 -0.222 0.000 2.152 118 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 118 E C 2.338 178.818 176.600 -0.200 0.000 0.983 118 E CA 0.707 57.018 56.400 -0.149 0.000 0.818 118 E CB 0.081 29.684 29.700 -0.161 0.000 0.758 118 E HN 0.284 nan 8.360 nan 0.000 0.467 119 L N 1.261 122.441 121.223 -0.073 0.000 2.027 119 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 119 L C 2.516 179.350 176.870 -0.061 0.000 1.074 119 L CA 2.345 57.133 54.840 -0.086 0.000 0.745 119 L CB -0.850 41.300 42.059 0.152 0.000 0.898 119 L HN 0.166 nan 8.230 nan 0.000 0.433 120 T N -3.680 110.878 114.554 0.006 0.000 2.812 120 T HA -0.121 4.229 4.350 -0.000 0.000 0.264 120 T C 1.666 176.374 174.700 0.013 0.000 1.042 120 T CA 1.394 63.506 62.100 0.021 0.000 1.140 120 T CB -0.524 68.374 68.868 0.051 0.000 0.870 120 T HN 0.497 nan 8.240 nan 0.000 0.445 121 E N 0.748 120.962 120.200 0.023 0.000 2.230 121 E HA 0.087 4.437 4.350 -0.000 0.000 0.192 121 E C 1.947 178.540 176.600 -0.012 0.000 0.987 121 E CA 0.947 57.360 56.400 0.023 0.000 0.841 121 E CB 0.208 29.947 29.700 0.066 0.000 0.783 121 E HN 0.529 nan 8.360 nan 0.000 0.481 122 S N -0.663 115.001 115.700 -0.061 0.000 3.186 122 S HA 0.037 4.507 4.470 -0.000 0.000 0.253 122 S C 1.990 176.512 174.600 -0.130 0.000 1.071 122 S CA -0.157 57.991 58.200 -0.087 0.000 0.796 122 S CB 0.198 63.339 63.200 -0.099 0.000 0.818 122 S HN -0.045 nan 8.310 nan 0.000 0.498 123 V N 3.396 123.156 119.914 -0.256 0.000 2.223 123 V HA -0.143 3.977 4.120 -0.000 0.000 0.244 123 V C 2.286 178.288 176.094 -0.155 0.000 1.045 123 V CA 1.773 63.897 62.300 -0.294 0.000 1.000 123 V CB -0.906 30.562 31.823 -0.591 0.000 0.635 123 V HN 0.352 nan 8.190 nan 0.000 0.445 124 L N -0.250 120.905 121.223 -0.114 0.000 2.012 124 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 124 L C 0.192 177.080 176.870 0.030 0.000 1.073 124 L CA 2.033 56.853 54.840 -0.033 0.000 0.748 124 L CB -1.867 40.193 42.059 0.002 0.000 0.891 124 L HN 0.362 nan 8.230 nan 0.000 0.431 125 P HA -0.177 nan 4.420 nan 0.000 0.215 125 P C 1.440 178.804 177.300 0.105 0.000 1.153 125 P CA 1.810 64.945 63.100 0.060 0.000 0.853 125 P CB -0.017 31.699 31.700 0.027 0.000 0.788 126 A N -0.113 122.755 122.820 0.080 0.000 1.933 126 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 126 A C 2.295 180.021 177.584 0.237 0.000 1.175 126 A CA 2.003 54.137 52.037 0.163 0.000 0.628 126 A CB -1.574 17.485 19.000 0.099 0.000 0.814 126 A HN 0.196 nan 8.150 nan 0.000 0.444 127 A N -0.486 122.402 122.820 0.113 0.000 1.968 127 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 127 A C 2.215 179.976 177.584 0.295 0.000 1.169 127 A CA 1.269 53.371 52.037 0.108 0.000 0.638 127 A CB -0.384 18.503 19.000 -0.189 0.000 0.812 127 A HN 0.531 nan 8.150 nan 0.000 0.446 128 R N -1.970 118.676 120.500 0.243 0.000 2.092 128 R HA -0.128 4.211 4.340 -0.000 0.000 0.231 128 R C 2.138 178.616 176.300 0.296 0.000 1.119 128 R CA 1.599 57.855 56.100 0.259 0.000 0.970 128 R CB -0.500 29.915 30.300 0.191 0.000 0.864 128 R HN 0.715 nan 8.270 nan 0.000 0.440 129 Y N 2.432 122.820 120.300 0.147 0.000 2.097 129 Y HA -0.252 4.298 4.550 -0.000 0.000 0.282 129 Y C 1.620 177.598 175.900 0.130 0.000 1.152 129 Y CA 1.657 59.826 58.100 0.115 0.000 1.136 129 Y CB -0.469 38.044 38.460 0.087 0.000 0.975 129 Y HN -0.011 nan 8.280 nan 0.000 0.498 130 D N -0.638 119.735 120.400 -0.045 0.000 2.104 130 D HA -0.256 4.384 4.640 -0.000 0.000 0.194 130 D C 2.035 178.311 176.300 -0.040 0.000 0.994 130 D CA 1.977 55.892 54.000 -0.141 0.000 0.830 130 D CB -0.986 39.894 40.800 0.133 0.000 0.959 130 D HN 0.523 nan 8.370 nan 0.000 0.452 131 Y N 1.619 121.938 120.300 0.033 0.000 2.145 131 Y HA -0.163 4.387 4.550 -0.000 0.000 0.286 131 Y C 2.333 178.223 175.900 -0.018 0.000 1.145 131 Y CA 1.717 59.825 58.100 0.013 0.000 1.148 131 Y CB -0.571 37.927 38.460 0.063 0.000 0.981 131 Y HN -0.045 nan 8.280 nan 0.000 0.507 132 A N -0.463 122.347 122.820 -0.018 0.000 1.917 132 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 132 A C 2.354 179.844 177.584 -0.157 0.000 1.182 132 A CA 2.375 54.366 52.037 -0.077 0.000 0.633 132 A CB -1.422 17.625 19.000 0.077 0.000 0.819 132 A HN 0.363 nan 8.150 nan 0.000 0.448 133 V N -0.310 119.494 119.914 -0.183 0.000 2.261 133 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 133 V C 3.068 179.041 176.094 -0.202 0.000 1.047 133 V CA 2.048 64.233 62.300 -0.191 0.000 1.015 133 V CB -1.336 30.310 31.823 -0.294 0.000 0.642 133 V HN 0.629 nan 8.190 nan 0.000 0.446 134 A N -0.288 122.380 122.820 -0.253 0.000 1.933 134 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 134 A C 2.296 179.693 177.584 -0.312 0.000 1.175 134 A CA 1.907 53.789 52.037 -0.259 0.000 0.628 134 A CB -0.596 18.260 19.000 -0.240 0.000 0.814 134 A HN 0.673 nan 8.150 nan 0.000 0.444 135 E N -0.650 119.278 120.200 -0.454 0.000 2.160 135 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 135 E C 1.323 177.844 176.600 -0.132 0.000 0.991 135 E CA 1.246 57.391 56.400 -0.425 0.000 0.810 135 E CB -0.084 29.268 29.700 -0.580 0.000 0.742 135 E HN 0.559 nan 8.360 nan 0.000 0.466 136 Q N -0.368 119.386 119.800 -0.078 0.000 2.360 136 Q HA 0.058 4.398 4.340 -0.000 0.000 0.202 136 Q C -0.193 175.830 176.000 0.038 0.000 0.915 136 Q CA 0.114 55.967 55.803 0.084 0.000 0.943 136 Q CB 0.329 29.096 28.738 0.048 0.000 1.064 136 Q HN 0.150 nan 8.270 nan 0.000 0.511 137 C N 3.147 122.370 119.300 -0.129 0.000 2.250 137 C HA 0.345 4.805 4.460 -0.000 0.000 0.319 137 C C -1.132 173.662 174.990 -0.325 0.000 1.124 137 C CA -2.047 56.865 59.018 -0.177 0.000 1.527 137 C CB 0.408 28.046 27.740 -0.169 0.000 2.001 137 C HN 0.224 nan 8.230 nan 0.000 0.435 138 P HA -0.146 nan 4.420 nan 0.000 0.219 138 P C 1.410 178.502 177.300 -0.347 0.000 1.146 138 P CA 1.878 64.623 63.100 -0.592 0.000 0.808 138 P CB -0.128 31.239 31.700 -0.554 0.000 0.779 139 V N -1.969 117.761 119.914 -0.306 0.000 2.548 139 V HA -0.098 4.022 4.120 -0.000 0.000 0.249 139 V C 2.363 178.221 176.094 -0.392 0.000 1.055 139 V CA 1.317 63.377 62.300 -0.399 0.000 1.065 139 V CB -1.499 29.984 31.823 -0.567 0.000 0.681 139 V HN -0.026 nan 8.190 nan 0.000 0.462 140 K N 1.034 121.253 120.400 -0.303 0.000 2.097 140 K HA -0.041 4.278 4.320 -0.000 0.000 0.205 140 K C 2.462 178.978 176.600 -0.141 0.000 1.050 140 K CA 1.612 57.771 56.287 -0.213 0.000 0.938 140 K CB -0.282 32.101 32.500 -0.195 0.000 0.718 140 K HN 0.532 nan 8.250 nan 0.000 0.442 141 S N 0.971 116.560 115.700 -0.186 0.000 2.383 141 S HA -0.125 4.345 4.470 -0.000 0.000 0.227 141 S C 2.115 176.679 174.600 -0.060 0.000 1.026 141 S CA 1.180 59.295 58.200 -0.141 0.000 0.981 141 S CB -0.153 62.900 63.200 -0.244 0.000 0.818 141 S HN 0.414 nan 8.310 nan 0.000 0.472 142 A N 1.413 124.202 122.820 -0.052 0.000 1.930 142 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 142 A C 2.049 179.764 177.584 0.219 0.000 1.175 142 A CA 1.543 53.625 52.037 0.075 0.000 0.627 142 A CB -0.519 18.576 19.000 0.157 0.000 0.815 142 A HN 0.574 nan 8.150 nan 0.000 0.443 143 E N -0.400 119.951 120.200 0.253 0.000 2.072 143 E HA -0.240 4.110 4.350 -0.000 0.000 0.191 143 E C 1.435 178.241 176.600 0.342 0.000 0.985 143 E CA 1.290 57.918 56.400 0.379 0.000 0.801 143 E CB -0.151 29.718 29.700 0.282 0.000 0.750 143 E HN 0.488 nan 8.360 nan 0.000 0.452 144 D N 0.062 120.572 120.400 0.183 0.000 2.117 144 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 144 D C 2.057 178.464 176.300 0.178 0.000 0.987 144 D CA 0.864 54.955 54.000 0.152 0.000 0.829 144 D CB -0.007 40.827 40.800 0.057 0.000 0.961 144 D HN 0.153 nan 8.370 nan 0.000 0.460 145 Q N -0.328 119.546 119.800 0.123 0.000 2.084 145 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 145 Q C 2.263 178.324 176.000 0.102 0.000 0.978 145 Q CA 0.535 56.389 55.803 0.085 0.000 0.844 145 Q CB -0.459 28.297 28.738 0.031 0.000 0.898 145 Q HN 0.285 nan 8.270 nan 0.000 0.426 146 L N -0.360 120.937 121.223 0.123 0.000 2.012 146 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 146 L C 2.172 179.082 176.870 0.066 0.000 1.073 146 L CA 1.724 56.601 54.840 0.061 0.000 0.748 146 L CB -1.093 40.985 42.059 0.032 0.000 0.891 146 L HN 0.218 nan 8.230 nan 0.000 0.431 147 Y N -0.989 119.395 120.300 0.141 0.000 2.181 147 Y HA -0.236 4.313 4.550 -0.000 0.000 0.288 147 Y C 2.432 178.457 175.900 0.209 0.000 1.146 147 Y CA 1.501 59.747 58.100 0.244 0.000 1.164 147 Y CB -0.612 37.987 38.460 0.232 0.000 0.982 147 Y HN 0.210 nan 8.280 nan 0.000 0.515 148 A N 0.557 123.542 122.820 0.275 0.000 1.877 148 A HA -0.191 4.128 4.320 -0.000 0.000 0.216 148 A C 2.192 179.829 177.584 0.088 0.000 1.186 148 A CA 2.009 54.143 52.037 0.163 0.000 0.620 148 A CB -1.290 17.770 19.000 0.099 0.000 0.822 148 A HN 0.619 nan 8.150 nan 0.000 0.443 149 I N -1.996 118.600 120.570 0.043 0.000 2.617 149 I HA -0.092 4.078 4.170 -0.000 0.000 0.256 149 I C 2.188 178.300 176.117 -0.009 0.000 1.167 149 I CA 1.901 63.191 61.300 -0.018 0.000 1.469 149 I CB -0.883 37.109 38.000 -0.014 0.000 1.098 149 I HN 0.335 nan 8.210 nan 0.000 0.436 150 T N -1.560 112.958 114.554 -0.061 0.000 2.978 150 T HA 0.098 4.448 4.350 -0.000 0.000 0.262 150 T C 1.267 175.803 174.700 -0.273 0.000 1.063 150 T CA 0.877 62.824 62.100 -0.255 0.000 1.140 150 T CB -0.390 68.082 68.868 -0.659 0.000 0.886 150 T HN 0.433 nan 8.240 nan 0.000 0.470 151 F N 0.671 120.777 119.950 0.260 0.000 2.747 151 F HA 0.528 5.055 4.527 -0.000 0.000 0.305 151 F C 1.242 177.196 175.800 0.257 0.000 1.065 151 F CA -0.967 57.199 58.000 0.275 0.000 1.230 151 F CB 0.094 39.192 39.000 0.164 0.000 1.027 151 F HN -0.026 nan 8.300 nan 0.000 0.607 152 R N 0.221 120.907 120.500 0.309 0.000 3.995 152 R HA -0.235 4.105 4.340 -0.000 0.000 0.396 152 R C 0.029 176.423 176.300 0.158 0.000 0.241 152 R CA 0.530 56.724 56.100 0.156 0.000 1.272 152 R CB -1.004 29.341 30.300 0.075 0.000 1.078 152 R HN 0.062 nan 8.270 nan 0.000 0.526 153 K N 1.397 121.858 120.400 0.102 0.000 2.504 153 K HA 0.036 4.356 4.320 -0.000 0.000 0.278 153 K C 0.891 177.526 176.600 0.058 0.000 1.025 153 K CA 1.510 57.837 56.287 0.068 0.000 1.093 153 K CB 0.242 32.773 32.500 0.051 0.000 0.873 153 K HN 0.640 nan 8.250 nan 0.000 0.483 154 G N 2.333 111.137 108.800 0.006 0.000 2.955 154 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.230 154 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.230 154 G C 0.647 175.462 174.900 -0.141 0.000 1.587 154 G CA -0.139 44.916 45.100 -0.075 0.000 1.216 154 G HN 0.514 nan 8.290 nan 0.000 0.527 155 L N 2.145 123.253 121.223 -0.192 0.000 2.191 155 L HA 0.154 4.494 4.340 -0.000 0.000 0.212 155 L C 2.744 179.645 176.870 0.053 0.000 1.103 155 L CA 1.718 56.389 54.840 -0.282 0.000 0.769 155 L CB -0.347 41.272 42.059 -0.734 0.000 0.908 155 L HN 0.651 nan 8.230 nan 0.000 0.438 156 G N -1.042 107.876 108.800 0.197 0.000 3.088 156 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.212 156 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.212 156 G C 0.422 175.399 174.900 0.128 0.000 1.173 156 G CA -0.370 44.901 45.100 0.285 0.000 0.779 156 G HN 0.214 nan 8.290 nan 0.000 0.540 157 N N 1.593 120.313 118.700 0.033 0.000 2.441 157 N HA 0.196 4.936 4.740 -0.000 0.000 0.251 157 N C -2.564 172.937 175.510 -0.015 0.000 1.242 157 N CA -1.130 51.919 53.050 -0.002 0.000 0.898 157 N CB 0.809 39.273 38.487 -0.039 0.000 1.100 157 N HN -0.009 nan 8.380 nan 0.000 0.443 158 P HA 0.015 nan 4.420 nan 0.000 0.268 158 P C 0.892 178.177 177.300 -0.024 0.000 1.205 158 P CA -0.340 62.758 63.100 -0.002 0.000 0.771 158 P CB 0.657 32.363 31.700 0.010 0.000 0.858 159 L N 4.219 125.416 121.223 -0.045 0.000 2.044 159 L HA 0.028 4.368 4.340 -0.000 0.000 0.205 159 L C 0.498 177.338 176.870 -0.051 0.000 1.075 159 L CA 1.799 56.598 54.840 -0.067 0.000 0.747 159 L CB -0.390 41.608 42.059 -0.102 0.000 0.903 159 L HN 0.240 nan 8.230 nan 0.000 0.435 160 L N -1.824 119.383 121.223 -0.026 0.000 2.332 160 L HA 0.207 4.547 4.340 -0.000 0.000 0.269 160 L C -0.771 176.231 176.870 0.219 0.000 1.016 160 L CA -1.005 53.845 54.840 0.017 0.000 0.809 160 L CB 0.977 43.032 42.059 -0.007 0.000 1.280 160 L HN -0.051 nan 8.230 nan 0.000 0.447 161 Y N 1.687 122.179 120.300 0.318 0.000 2.436 161 Y HA 0.050 4.600 4.550 -0.000 0.000 0.343 161 Y C 0.504 176.333 175.900 -0.118 0.000 1.008 161 Y CA -0.327 57.826 58.100 0.088 0.000 1.241 161 Y CB 0.617 39.111 38.460 0.057 0.000 1.153 161 Y HN 0.670 nan 8.280 nan 0.000 0.521 162 D N 2.977 122.939 120.400 -0.731 0.000 2.469 162 D HA 0.142 4.782 4.640 -0.000 0.000 0.215 162 D C 1.445 177.182 176.300 -0.938 0.000 1.154 162 D CA 0.369 53.746 54.000 -1.038 0.000 0.832 162 D CB 0.200 40.470 40.800 -0.883 0.000 1.008 162 D HN 0.877 nan 8.370 nan 0.000 0.506 163 G N 1.010 109.017 108.800 -1.320 0.000 2.168 163 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.263 163 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.263 163 G C 1.229 175.911 174.900 -0.364 0.000 0.977 163 G CA 1.144 45.722 45.100 -0.871 0.000 0.659 163 G HN 0.885 nan 8.290 nan 0.000 0.533 164 V N -2.144 117.591 119.914 -0.299 0.000 2.626 164 V HA 0.290 4.410 4.120 -0.000 0.000 0.252 164 V C 0.835 176.879 176.094 -0.084 0.000 1.067 164 V CA 2.344 64.554 62.300 -0.149 0.000 1.081 164 V CB 0.071 31.826 31.823 -0.113 0.000 0.686 164 V HN 0.557 nan 8.190 nan 0.000 0.468 165 E N 1.063 121.224 120.200 -0.065 0.000 2.182 165 E HA 0.352 4.702 4.350 -0.000 0.000 0.258 165 E C -0.110 176.539 176.600 0.081 0.000 0.879 165 E CA -0.830 55.572 56.400 0.004 0.000 0.754 165 E CB 1.136 30.843 29.700 0.011 0.000 1.162 165 E HN 0.486 nan 8.360 nan 0.000 0.419 166 R N 3.109 123.650 120.500 0.069 0.000 2.502 166 R HA 0.112 4.452 4.340 -0.000 0.000 0.292 166 R C -1.035 175.323 176.300 0.096 0.000 0.998 166 R CA 0.146 56.311 56.100 0.109 0.000 1.056 166 R CB 0.477 30.810 30.300 0.055 0.000 0.939 166 R HN 0.253 nan 8.270 nan 0.000 0.411 167 V N 5.164 125.137 119.914 0.099 0.000 2.407 167 V HA 0.183 4.303 4.120 -0.000 0.000 0.291 167 V C 0.133 176.179 176.094 -0.080 0.000 1.018 167 V CA -0.580 61.695 62.300 -0.041 0.000 0.842 167 V CB 1.484 33.199 31.823 -0.181 0.000 0.996 167 V HN 1.008 nan 8.190 nan 0.000 0.426 168 S N 5.069 120.732 115.700 -0.063 0.000 2.686 168 S HA 0.447 4.917 4.470 -0.000 0.000 0.270 168 S C 1.151 175.704 174.600 -0.078 0.000 1.194 168 S CA -0.569 57.598 58.200 -0.055 0.000 0.990 168 S CB 1.119 64.293 63.200 -0.043 0.000 1.029 168 S HN 0.590 nan 8.310 nan 0.000 0.560 169 L N 0.032 121.220 121.223 -0.059 0.000 2.093 169 L HA -0.114 4.225 4.340 -0.000 0.000 0.208 169 L C 2.787 179.542 176.870 -0.192 0.000 1.085 169 L CA 1.932 56.723 54.840 -0.081 0.000 0.755 169 L CB -0.610 41.429 42.059 -0.033 0.000 0.904 169 L HN 0.890 nan 8.230 nan 0.000 0.435 170 Q N 0.144 119.854 119.800 -0.149 0.000 2.119 170 Q HA -0.215 4.125 4.340 -0.000 0.000 0.201 170 Q C 1.709 177.602 176.000 -0.179 0.000 0.972 170 Q CA 1.838 57.538 55.803 -0.172 0.000 0.847 170 Q CB -0.092 28.580 28.738 -0.111 0.000 0.903 170 Q HN 0.442 nan 8.270 nan 0.000 0.433 171 D N -0.284 120.034 120.400 -0.136 0.000 2.117 171 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 171 D C 1.817 178.036 176.300 -0.135 0.000 0.987 171 D CA 1.236 55.170 54.000 -0.111 0.000 0.829 171 D CB -0.109 40.634 40.800 -0.094 0.000 0.961 171 D HN 0.379 nan 8.370 nan 0.000 0.460 172 I N 0.823 121.274 120.570 -0.199 0.000 2.252 172 I HA -0.219 3.950 4.170 -0.000 0.000 0.245 172 I C 2.319 178.177 176.117 -0.432 0.000 1.102 172 I CA 1.005 62.164 61.300 -0.234 0.000 1.385 172 I CB -0.115 37.756 38.000 -0.214 0.000 1.064 172 I HN -0.081 nan 8.210 nan 0.000 0.414 173 K N 0.504 120.522 120.400 -0.637 0.000 2.097 173 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 173 K C 1.620 177.986 176.600 -0.390 0.000 1.050 173 K CA 1.306 57.124 56.287 -0.783 0.000 0.938 173 K CB -0.167 31.908 32.500 -0.708 0.000 0.718 173 K HN 0.265 nan 8.250 nan 0.000 0.442 174 D N 0.490 120.745 120.400 -0.241 0.000 2.144 174 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 174 D C 1.582 177.827 176.300 -0.092 0.000 0.978 174 D CA 0.848 54.766 54.000 -0.137 0.000 0.833 174 D CB -0.212 40.540 40.800 -0.081 0.000 0.961 174 D HN 0.062 nan 8.370 nan 0.000 0.470 175 F N 1.500 121.319 119.950 -0.219 0.000 2.234 175 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 175 F C 2.148 177.781 175.800 -0.278 0.000 1.087 175 F CA 0.984 58.866 58.000 -0.197 0.000 1.340 175 F CB -0.158 38.744 39.000 -0.164 0.000 1.031 175 F HN -0.081 nan 8.300 nan 0.000 0.500 176 A N -0.133 122.497 122.820 -0.317 0.000 1.898 176 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 176 A C 2.019 179.381 177.584 -0.370 0.000 1.181 176 A CA 1.925 53.663 52.037 -0.498 0.000 0.620 176 A CB -0.875 17.998 19.000 -0.212 0.000 0.819 176 A HN 0.380 nan 8.150 nan 0.000 0.442 177 D N -0.489 119.767 120.400 -0.240 0.000 2.117 177 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 177 D C 1.903 178.092 176.300 -0.185 0.000 0.982 177 D CA 1.523 55.428 54.000 -0.158 0.000 0.828 177 D CB -0.231 40.490 40.800 -0.132 0.000 0.967 177 D HN 0.615 nan 8.370 nan 0.000 0.464 178 K N 0.677 120.923 120.400 -0.257 0.000 2.148 178 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 178 K C 1.562 177.952 176.600 -0.349 0.000 1.050 178 K CA 0.842 56.970 56.287 -0.264 0.000 0.942 178 K CB 0.328 32.679 32.500 -0.249 0.000 0.724 178 K HN -0.024 nan 8.250 nan 0.000 0.446 179 V N -0.101 119.496 119.914 -0.528 0.000 3.379 179 V HA 0.013 4.133 4.120 -0.000 0.000 0.249 179 V C 0.579 176.577 176.094 -0.159 0.000 1.184 179 V CA 0.090 62.099 62.300 -0.484 0.000 1.106 179 V CB -0.038 31.284 31.823 -0.836 0.000 0.826 179 V HN 0.173 nan 8.190 nan 0.000 0.465 180 Y N 2.787 122.987 120.300 -0.166 0.000 2.667 180 Y HA 0.343 4.893 4.550 -0.000 0.000 0.340 180 Y C 0.901 176.768 175.900 -0.056 0.000 1.303 180 Y CA -0.533 57.517 58.100 -0.083 0.000 1.769 180 Y CB 0.014 38.441 38.460 -0.055 0.000 1.804 180 Y HN 0.281 nan 8.280 nan 0.000 0.451 181 T N -3.529 111.086 114.554 0.102 0.000 2.907 181 T HA 0.304 4.654 4.350 -0.000 0.000 0.292 181 T C 0.771 175.502 174.700 0.051 0.000 1.043 181 T CA -1.145 60.986 62.100 0.052 0.000 1.003 181 T CB 2.153 71.025 68.868 0.006 0.000 1.084 181 T HN 0.334 nan 8.240 nan 0.000 0.483 182 K N 0.244 120.669 120.400 0.042 0.000 2.152 182 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 182 K C 1.671 178.294 176.600 0.038 0.000 1.048 182 K CA 1.286 57.596 56.287 0.038 0.000 0.933 182 K CB 0.033 32.552 32.500 0.031 0.000 0.721 182 K HN 0.566 nan 8.250 nan 0.000 0.447 183 E N 0.409 120.625 120.200 0.026 0.000 2.435 183 E HA -0.070 4.280 4.350 -0.000 0.000 0.195 183 E C 0.793 177.409 176.600 0.026 0.000 1.029 183 E CA 0.586 56.998 56.400 0.019 0.000 0.865 183 E CB -0.007 29.692 29.700 -0.003 0.000 0.833 183 E HN 0.184 nan 8.360 nan 0.000 0.510 184 N N 0.278 119.004 118.700 0.042 0.000 2.235 184 N HA 0.079 4.818 4.740 -0.000 0.000 0.209 184 N C -0.689 174.944 175.510 0.205 0.000 1.122 184 N CA -0.035 53.060 53.050 0.075 0.000 0.845 184 N CB 0.227 38.711 38.487 -0.005 0.000 1.004 184 N HN -0.002 nan 8.380 nan 0.000 0.499 185 L N -2.603 118.722 121.223 0.170 0.000 2.424 185 L HA 0.784 5.123 4.340 -0.000 0.000 0.258 185 L C -1.127 175.823 176.870 0.133 0.000 0.995 185 L CA -0.992 53.945 54.840 0.161 0.000 0.821 185 L CB 1.976 44.093 42.059 0.098 0.000 1.383 185 L HN -0.254 nan 8.230 nan 0.000 0.410 186 E N 0.877 121.139 120.200 0.104 0.000 2.224 186 E HA 0.662 5.011 4.350 -0.000 0.000 0.265 186 E C -1.324 175.297 176.600 0.035 0.000 0.878 186 E CA -0.634 55.812 56.400 0.075 0.000 0.759 186 E CB 2.566 32.319 29.700 0.090 0.000 1.164 186 E HN 0.519 nan 8.360 nan 0.000 0.414 187 V N 2.268 122.207 119.914 0.041 0.000 2.407 187 V HA 0.554 4.674 4.120 -0.000 0.000 0.278 187 V C -0.144 175.973 176.094 0.039 0.000 1.037 187 V CA -0.377 61.949 62.300 0.042 0.000 0.900 187 V CB 1.476 33.331 31.823 0.054 0.000 0.983 187 V HN 0.619 nan 8.190 nan 0.000 0.459 188 S N 3.264 118.985 115.700 0.036 0.000 2.542 188 S HA 0.890 5.359 4.470 -0.000 0.000 0.293 188 S C -0.295 174.335 174.600 0.049 0.000 1.089 188 S CA -0.057 58.160 58.200 0.029 0.000 0.961 188 S CB 1.823 65.022 63.200 -0.002 0.000 1.062 188 S HN 1.120 nan 8.310 nan 0.000 0.483 189 G N 1.902 110.729 108.800 0.044 0.000 2.638 189 G HA2 0.586 4.546 3.960 -0.000 0.000 0.302 189 G HA3 0.586 4.546 3.960 -0.000 0.000 0.302 189 G C -1.828 173.080 174.900 0.013 0.000 1.365 189 G CA -0.486 44.644 45.100 0.051 0.000 0.987 189 G HN 0.578 nan 8.290 nan 0.000 0.495 190 E N 0.957 121.145 120.200 -0.020 0.000 2.187 190 E HA 0.458 4.808 4.350 -0.000 0.000 0.268 190 E C 0.126 176.680 176.600 -0.076 0.000 0.896 190 E CA -0.497 55.875 56.400 -0.046 0.000 0.766 190 E CB 0.885 30.548 29.700 -0.061 0.000 1.142 190 E HN 0.375 nan 8.360 nan 0.000 0.408 191 N N 1.359 120.025 118.700 -0.057 0.000 2.747 191 N HA -0.141 4.599 4.740 -0.000 0.000 0.249 191 N C -1.380 174.104 175.510 -0.043 0.000 1.107 191 N CA 0.895 53.907 53.050 -0.063 0.000 0.707 191 N CB -1.361 37.061 38.487 -0.109 0.000 1.054 191 N HN 0.165 nan 8.380 nan 0.000 0.555 192 V N 0.222 120.133 119.914 -0.004 0.000 2.680 192 V HA 0.490 4.610 4.120 -0.000 0.000 0.309 192 V C 0.571 176.697 176.094 0.052 0.000 1.052 192 V CA -1.143 61.185 62.300 0.047 0.000 0.908 192 V CB 2.349 34.224 31.823 0.086 0.000 1.001 192 V HN 0.102 nan 8.190 nan 0.000 0.431 193 V N 1.251 121.208 119.914 0.071 0.000 2.415 193 V HA 0.291 4.410 4.120 -0.000 0.000 0.267 193 V C 1.192 177.313 176.094 0.045 0.000 1.042 193 V CA 0.198 62.528 62.300 0.050 0.000 1.000 193 V CB 0.385 32.239 31.823 0.051 0.000 1.015 193 V HN 1.029 nan 8.190 nan 0.000 0.478 194 E N 4.472 124.689 120.200 0.028 0.000 2.097 194 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 194 E C 2.091 178.688 176.600 -0.005 0.000 1.000 194 E CA 1.982 58.394 56.400 0.020 0.000 0.804 194 E CB -0.061 29.647 29.700 0.013 0.000 0.740 194 E HN 0.983 nan 8.360 nan 0.000 0.454 195 A N 1.269 124.076 122.820 -0.022 0.000 1.892 195 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 195 A C 1.831 179.341 177.584 -0.123 0.000 1.188 195 A CA 2.138 54.140 52.037 -0.058 0.000 0.631 195 A CB -0.653 18.316 19.000 -0.052 0.000 0.822 195 A HN 0.310 nan 8.150 nan 0.000 0.447 196 D N -0.611 119.707 120.400 -0.136 0.000 2.117 196 D HA -0.097 4.542 4.640 -0.000 0.000 0.198 196 D C 1.824 177.941 176.300 -0.305 0.000 0.982 196 D CA 1.116 54.914 54.000 -0.337 0.000 0.828 196 D CB -0.510 40.205 40.800 -0.141 0.000 0.967 196 D HN 0.324 nan 8.370 nan 0.000 0.464 197 L N 1.294 122.521 121.223 0.007 0.000 2.042 197 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 197 L C 1.822 178.725 176.870 0.054 0.000 1.076 197 L CA 1.825 56.745 54.840 0.132 0.000 0.749 197 L CB -0.324 41.812 42.059 0.128 0.000 0.893 197 L HN -0.120 nan 8.230 nan 0.000 0.432 198 K N -0.968 119.422 120.400 -0.018 0.000 2.057 198 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 198 K C 2.305 178.869 176.600 -0.061 0.000 1.050 198 K CA 1.501 57.774 56.287 -0.024 0.000 0.935 198 K CB -0.219 32.263 32.500 -0.030 0.000 0.715 198 K HN 0.302 nan 8.250 nan 0.000 0.439 199 R N 0.526 120.924 120.500 -0.170 0.000 2.066 199 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 199 R C 2.113 178.332 176.300 -0.135 0.000 1.131 199 R CA 1.437 57.404 56.100 -0.221 0.000 0.955 199 R CB -0.236 29.827 30.300 -0.395 0.000 0.851 199 R HN 0.133 nan 8.270 nan 0.000 0.432 200 F N -0.140 119.816 119.950 0.009 0.000 2.134 200 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 200 F C 2.359 178.153 175.800 -0.010 0.000 1.097 200 F CA 0.565 58.567 58.000 0.002 0.000 1.264 200 F CB -0.160 38.850 39.000 0.017 0.000 1.001 200 F HN -0.120 nan 8.300 nan 0.000 0.479 201 V N -0.023 119.992 119.914 0.169 0.000 2.407 201 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 201 V C 1.682 177.800 176.094 0.040 0.000 1.055 201 V CA 1.904 64.256 62.300 0.086 0.000 1.049 201 V CB -0.503 31.360 31.823 0.067 0.000 0.662 201 V HN 0.282 nan 8.190 nan 0.000 0.455 202 D N -0.200 120.217 120.400 0.028 0.000 2.224 202 D HA -0.114 4.525 4.640 -0.000 0.000 0.205 202 D C 2.138 178.438 176.300 0.001 0.000 0.965 202 D CA 0.963 54.966 54.000 0.004 0.000 0.852 202 D CB -0.027 40.768 40.800 -0.009 0.000 0.947 202 D HN 0.570 nan 8.370 nan 0.000 0.494 203 E N 0.557 120.772 120.200 0.026 0.000 2.318 203 E HA -0.005 4.344 4.350 -0.000 0.000 0.193 203 E C 1.049 177.642 176.600 -0.012 0.000 0.998 203 E CA -0.023 56.390 56.400 0.021 0.000 0.859 203 E CB 0.300 30.044 29.700 0.073 0.000 0.812 203 E HN 0.140 nan 8.360 nan 0.000 0.492 204 S N 0.170 115.864 115.700 -0.010 0.000 2.634 204 S HA 0.073 4.543 4.470 -0.000 0.000 0.261 204 S C 0.890 175.412 174.600 -0.128 0.000 1.271 204 S CA -0.557 57.604 58.200 -0.065 0.000 0.985 204 S CB 0.799 63.974 63.200 -0.042 0.000 0.968 204 S HN -0.013 nan 8.310 nan 0.000 0.568 205 L N 0.611 121.710 121.223 -0.206 0.000 2.622 205 L HA 0.146 4.486 4.340 -0.000 0.000 0.233 205 L C 1.939 178.667 176.870 -0.236 0.000 1.156 205 L CA 0.593 55.211 54.840 -0.370 0.000 0.866 205 L CB -1.286 40.412 42.059 -0.601 0.000 0.980 205 L HN 0.604 nan 8.230 nan 0.000 0.448 206 L N -0.391 120.763 121.223 -0.114 0.000 2.046 206 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 206 L C 2.643 179.498 176.870 -0.025 0.000 1.077 206 L CA 1.984 56.796 54.840 -0.046 0.000 0.747 206 L CB -0.881 41.162 42.059 -0.027 0.000 0.896 206 L HN 0.500 nan 8.230 nan 0.000 0.432 207 S N -3.409 112.267 115.700 -0.041 0.000 2.489 207 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 207 S C 1.632 176.217 174.600 -0.024 0.000 0.995 207 S CA 1.059 59.245 58.200 -0.023 0.000 0.934 207 S CB -0.601 62.585 63.200 -0.024 0.000 0.771 207 S HN 0.429 nan 8.310 nan 0.000 0.522 208 T N 2.147 116.661 114.554 -0.067 0.000 3.081 208 T HA 0.327 4.677 4.350 -0.000 0.000 0.255 208 T C 0.604 175.374 174.700 0.118 0.000 1.113 208 T CA -0.049 62.021 62.100 -0.051 0.000 1.082 208 T CB -0.297 68.405 68.868 -0.276 0.000 0.939 208 T HN 0.324 nan 8.240 nan 0.000 0.506 209 L N 3.205 124.510 121.223 0.138 0.000 2.483 209 L HA 0.192 4.531 4.340 -0.000 0.000 0.275 209 L C -1.784 175.151 176.870 0.108 0.000 1.220 209 L CA -1.835 53.123 54.840 0.197 0.000 0.833 209 L CB 0.018 42.160 42.059 0.138 0.000 1.102 209 L HN -0.012 nan 8.230 nan 0.000 0.490 210 P HA 0.035 nan 4.420 nan 0.000 0.271 210 P C -1.027 176.291 177.300 0.031 0.000 1.216 210 P CA -0.405 62.722 63.100 0.044 0.000 0.776 210 P CB 0.898 32.611 31.700 0.021 0.000 0.881 211 A N 3.677 126.509 122.820 0.020 0.000 2.922 211 A HA 0.481 4.800 4.320 -0.000 0.000 0.298 211 A C 1.207 178.792 177.584 0.001 0.000 1.588 211 A CA -0.108 51.937 52.037 0.013 0.000 1.288 211 A CB -1.020 17.986 19.000 0.011 0.000 1.130 211 A HN 0.626 nan 8.150 nan 0.000 0.557 212 G N 1.124 109.922 108.800 -0.004 0.000 2.608 212 G HA2 0.325 4.285 3.960 -0.000 0.000 0.212 212 G HA3 0.325 4.285 3.960 -0.000 0.000 0.212 212 G C 0.212 175.097 174.900 -0.025 0.000 1.572 212 G CA -0.410 44.678 45.100 -0.020 0.000 1.064 212 G HN 0.625 nan 8.290 nan 0.000 0.556 213 K N -0.677 119.699 120.400 -0.041 0.000 2.221 213 K HA 0.510 4.830 4.320 -0.000 0.000 0.243 213 K C -0.707 175.852 176.600 -0.068 0.000 0.968 213 K CA -0.453 55.806 56.287 -0.046 0.000 0.846 213 K CB 1.953 34.424 32.500 -0.047 0.000 1.141 213 K HN 0.316 nan 8.250 nan 0.000 0.434 214 S N 1.829 117.485 115.700 -0.073 0.000 2.439 214 S HA 0.170 4.640 4.470 -0.000 0.000 0.282 214 S C 0.928 175.436 174.600 -0.153 0.000 1.170 214 S CA -0.695 57.435 58.200 -0.117 0.000 1.054 214 S CB -0.007 63.127 63.200 -0.110 0.000 0.956 214 S HN 0.563 nan 8.310 nan 0.000 0.490 215 L N 4.947 126.030 121.223 -0.233 0.000 2.622 215 L HA 0.083 4.423 4.340 -0.000 0.000 0.233 215 L C 0.363 177.163 176.870 -0.116 0.000 1.156 215 L CA -0.030 54.670 54.840 -0.233 0.000 0.866 215 L CB -0.417 41.338 42.059 -0.507 0.000 0.980 215 L HN 0.458 nan 8.230 nan 0.000 0.448 216 V N 0.240 120.034 119.914 -0.200 0.000 2.529 216 V HA -0.044 4.076 4.120 -0.000 0.000 0.292 216 V C 0.783 176.863 176.094 -0.025 0.000 1.028 216 V CA 0.215 62.448 62.300 -0.112 0.000 1.074 216 V CB 1.078 32.733 31.823 -0.280 0.000 0.958 216 V HN 0.218 nan 8.190 nan 0.000 0.481 217 S N 3.440 119.156 115.700 0.028 0.000 2.525 217 S HA 0.370 4.840 4.470 -0.000 0.000 0.278 217 S C 0.783 175.388 174.600 0.009 0.000 1.234 217 S CA -0.629 57.580 58.200 0.016 0.000 1.058 217 S CB 1.303 64.513 63.200 0.015 0.000 0.983 217 S HN 0.770 nan 8.310 nan 0.000 0.495 218 K N 2.713 123.118 120.400 0.008 0.000 2.099 218 K HA 0.114 4.434 4.320 -0.000 0.000 0.203 218 K C 0.845 177.458 176.600 0.022 0.000 1.047 218 K CA 0.707 57.003 56.287 0.015 0.000 0.963 218 K CB -0.216 32.290 32.500 0.011 0.000 0.759 218 K HN 0.762 nan 8.250 nan 0.000 0.451 219 S N 1.079 116.791 115.700 0.019 0.000 2.576 219 S HA 0.030 4.500 4.470 -0.000 0.000 0.272 219 S C -0.200 174.421 174.600 0.034 0.000 1.352 219 S CA -0.592 57.623 58.200 0.026 0.000 1.021 219 S CB 0.516 63.728 63.200 0.020 0.000 0.887 219 S HN 0.166 nan 8.310 nan 0.000 0.542 220 E N 1.917 122.148 120.200 0.052 0.000 2.338 220 E HA 0.259 4.609 4.350 -0.000 0.000 0.272 220 E C -2.204 174.449 176.600 0.089 0.000 1.029 220 E CA -1.556 54.892 56.400 0.080 0.000 0.872 220 E CB -0.081 29.688 29.700 0.115 0.000 1.015 220 E HN 0.496 nan 8.360 nan 0.000 0.417 221 P HA 0.019 nan 4.420 nan 0.000 0.271 221 P C -0.656 176.775 177.300 0.219 0.000 1.218 221 P CA -0.234 62.931 63.100 0.109 0.000 0.780 221 P CB 0.516 32.229 31.700 0.022 0.000 0.901 222 K N 2.622 123.097 120.400 0.125 0.000 2.350 222 K HA 0.317 4.637 4.320 -0.000 0.000 0.279 222 K C -0.599 176.047 176.600 0.077 0.000 1.027 222 K CA -0.201 56.066 56.287 -0.035 0.000 0.969 222 K CB -0.038 32.397 32.500 -0.108 0.000 0.954 222 K HN 0.440 nan 8.250 nan 0.000 0.474 223 F N 1.618 121.434 119.950 -0.224 0.000 2.640 223 F HA 0.686 5.213 4.527 -0.000 0.000 0.324 223 F C -1.368 174.051 175.800 -0.635 0.000 1.077 223 F CA -1.356 56.489 58.000 -0.260 0.000 0.965 223 F CB 0.857 39.764 39.000 -0.154 0.000 1.351 223 F HN 0.217 nan 8.300 nan 0.000 0.487 224 F N 1.128 121.139 119.950 0.102 0.000 2.576 224 F HA 0.762 5.289 4.527 -0.000 0.000 0.313 224 F C -0.803 175.051 175.800 0.090 0.000 1.078 224 F CA -0.882 57.133 58.000 0.024 0.000 0.921 224 F CB 2.219 41.205 39.000 -0.023 0.000 1.232 224 F HN 0.365 nan 8.300 nan 0.000 0.459 225 L N 0.653 122.009 121.223 0.222 0.000 2.354 225 L HA 0.681 5.021 4.340 -0.000 0.000 0.264 225 L C 0.543 177.449 176.870 0.060 0.000 1.008 225 L CA -0.934 53.986 54.840 0.134 0.000 0.819 225 L CB 2.132 44.275 42.059 0.140 0.000 1.339 225 L HN 0.853 nan 8.230 nan 0.000 0.420 226 G N 0.583 109.366 108.800 -0.028 0.000 2.160 226 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.251 226 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.251 226 G C -0.003 174.877 174.900 -0.033 0.000 1.008 226 G CA -0.219 44.828 45.100 -0.089 0.000 0.724 226 G HN 0.510 nan 8.290 nan 0.000 0.514 227 E N 0.175 120.378 120.200 0.006 0.000 2.277 227 E HA 0.591 4.941 4.350 -0.000 0.000 0.274 227 E C 0.181 176.810 176.600 0.049 0.000 1.022 227 E CA -0.366 56.048 56.400 0.022 0.000 0.853 227 E CB 1.943 31.655 29.700 0.020 0.000 1.086 227 E HN 0.617 nan 8.360 nan 0.000 0.397 228 E N 1.950 122.184 120.200 0.057 0.000 2.356 228 E HA 0.408 4.758 4.350 -0.000 0.000 0.275 228 E C -1.523 175.111 176.600 0.056 0.000 0.904 228 E CA -0.595 55.865 56.400 0.101 0.000 0.757 228 E CB 1.724 31.529 29.700 0.177 0.000 1.232 228 E HN 0.316 nan 8.360 nan 0.000 0.442 229 N N 1.575 120.292 118.700 0.027 0.000 2.324 229 N HA 0.384 5.124 4.740 -0.000 0.000 0.285 229 N C -1.926 173.566 175.510 -0.029 0.000 1.076 229 N CA -0.526 52.527 53.050 0.005 0.000 0.864 229 N CB 1.623 40.107 38.487 -0.005 0.000 1.632 229 N HN 0.389 nan 8.380 nan 0.000 0.478 230 R N 1.417 121.910 120.500 -0.012 0.000 2.494 230 R HA 0.708 5.048 4.340 -0.000 0.000 0.305 230 R C -1.140 175.152 176.300 -0.012 0.000 0.959 230 R CA -0.998 55.081 56.100 -0.035 0.000 0.864 230 R CB 1.953 32.237 30.300 -0.027 0.000 1.159 230 R HN 0.156 nan 8.270 nan 0.000 0.446 231 V N 3.607 123.511 119.914 -0.017 0.000 2.443 231 V HA 0.363 4.483 4.120 -0.000 0.000 0.293 231 V C 0.099 176.225 176.094 0.054 0.000 1.021 231 V CA -0.993 61.317 62.300 0.016 0.000 0.848 231 V CB 1.642 33.465 31.823 0.001 0.000 0.998 231 V HN 0.672 nan 8.190 nan 0.000 0.424 232 R N 3.715 124.258 120.500 0.072 0.000 2.491 232 R HA 0.543 4.882 4.340 -0.000 0.000 0.283 232 R C -0.957 175.456 176.300 0.188 0.000 1.072 232 R CA -0.017 56.141 56.100 0.096 0.000 1.048 232 R CB 0.719 31.056 30.300 0.063 0.000 0.983 232 R HN 0.616 nan 8.270 nan 0.000 0.450 233 F N 2.462 122.405 119.950 -0.012 0.000 2.635 233 F HA 0.366 4.893 4.527 -0.000 0.000 0.314 233 F C -1.297 174.495 175.800 -0.014 0.000 1.119 233 F CA -0.909 57.082 58.000 -0.015 0.000 1.000 233 F CB 1.239 40.225 39.000 -0.023 0.000 1.278 233 F HN 0.319 nan 8.300 nan 0.000 0.446 234 I N 6.419 126.503 120.570 -0.810 0.000 2.312 234 I HA 0.663 4.833 4.170 -0.000 0.000 0.291 234 I C 0.571 176.118 176.117 -0.950 0.000 1.031 234 I CA 0.436 61.353 61.300 -0.638 0.000 1.293 234 I CB 0.400 38.151 38.000 -0.415 0.000 1.403 234 I HN 0.924 nan 8.210 nan 0.000 0.484 235 G N 5.427 113.984 108.800 -0.404 0.000 2.292 235 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.194 235 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.194 235 G C -1.410 173.541 174.900 0.085 0.000 1.329 235 G CA -0.795 44.214 45.100 -0.151 0.000 1.100 235 G HN 0.408 nan 8.290 nan 0.000 0.470 236 D N 0.894 121.423 120.400 0.215 0.000 2.372 236 D HA 0.581 5.221 4.640 -0.000 0.000 0.243 236 D C 0.380 176.792 176.300 0.186 0.000 1.121 236 D CA 0.449 54.542 54.000 0.155 0.000 0.898 236 D CB 1.422 42.289 40.800 0.111 0.000 1.202 236 D HN 0.346 nan 8.370 nan 0.000 0.428 237 S N 0.176 115.942 115.700 0.110 0.000 2.585 237 S HA 0.567 5.037 4.470 -0.000 0.000 0.277 237 S C -0.615 174.018 174.600 0.054 0.000 1.241 237 S CA -0.726 57.528 58.200 0.090 0.000 1.041 237 S CB 1.553 64.794 63.200 0.068 0.000 0.987 237 S HN 0.270 nan 8.310 nan 0.000 0.512 238 V N 1.816 121.747 119.914 0.029 0.000 2.808 238 V HA 0.855 4.975 4.120 -0.000 0.000 0.308 238 V C -1.146 174.948 176.094 0.001 0.000 1.099 238 V CA -0.571 61.745 62.300 0.028 0.000 0.920 238 V CB 1.568 33.401 31.823 0.017 0.000 1.014 238 V HN 0.992 nan 8.190 nan 0.000 0.425 239 A N 5.321 128.161 122.820 0.033 0.000 2.318 239 A HA 1.033 5.353 4.320 -0.000 0.000 0.317 239 A C -0.207 177.383 177.584 0.009 0.000 1.159 239 A CA 0.019 52.054 52.037 -0.004 0.000 0.799 239 A CB 1.497 20.602 19.000 0.176 0.000 1.194 239 A HN 2.195 nan 8.150 nan 0.000 0.479 240 A N 2.262 125.005 122.820 -0.129 0.000 2.475 240 A HA 0.816 5.136 4.320 -0.000 0.000 0.301 240 A C -0.576 176.959 177.584 -0.081 0.000 1.059 240 A CA -0.482 51.459 52.037 -0.160 0.000 0.710 240 A CB 0.983 19.851 19.000 -0.220 0.000 1.288 240 A HN 1.713 nan 8.150 nan 0.000 0.408 241 I N -0.708 119.790 120.570 -0.119 0.000 2.569 241 I HA 0.917 5.087 4.170 -0.000 0.000 0.296 241 I C -0.007 176.080 176.117 -0.050 0.000 1.028 241 I CA -0.856 60.476 61.300 0.053 0.000 1.082 241 I CB 2.361 40.320 38.000 -0.069 0.000 1.264 241 I HN 0.701 nan 8.210 nan 0.000 0.429 242 G N 6.276 115.124 108.800 0.080 0.000 2.542 242 G HA2 0.765 4.725 3.960 -0.000 0.000 0.311 242 G HA3 0.765 4.725 3.960 -0.000 0.000 0.311 242 G C -1.205 173.758 174.900 0.105 0.000 1.298 242 G CA -0.758 44.350 45.100 0.012 0.000 0.973 242 G HN 0.653 nan 8.290 nan 0.000 0.487 243 I N 2.187 122.813 120.570 0.093 0.000 2.478 243 I HA 0.294 4.464 4.170 -0.000 0.000 0.287 243 I C -2.588 173.433 176.117 -0.161 0.000 1.042 243 I CA -2.275 59.036 61.300 0.019 0.000 1.067 243 I CB 3.272 41.320 38.000 0.081 0.000 1.233 243 I HN 0.184 nan 8.210 nan 0.000 0.431 244 P HA 0.157 nan 4.420 nan 0.000 0.276 244 P C -0.805 176.230 177.300 -0.442 0.000 1.235 244 P CA -0.278 62.604 63.100 -0.364 0.000 0.772 244 P CB 0.998 32.295 31.700 -0.672 0.000 0.871 245 V N 1.155 120.885 119.914 -0.307 0.000 2.680 245 V HA 0.498 4.618 4.120 -0.000 0.000 0.309 245 V C -0.183 175.824 176.094 -0.145 0.000 1.052 245 V CA -0.956 61.137 62.300 -0.344 0.000 0.908 245 V CB 1.743 33.269 31.823 -0.496 0.000 1.001 245 V HN 0.384 nan 8.190 nan 0.000 0.431 246 N N 2.878 121.519 118.700 -0.098 0.000 2.371 246 N HA 0.141 4.881 4.740 -0.000 0.000 0.243 246 N C 0.475 176.004 175.510 0.032 0.000 1.287 246 N CA -0.301 52.745 53.050 -0.007 0.000 0.911 246 N CB 1.017 39.519 38.487 0.025 0.000 1.142 246 N HN 0.686 nan 8.380 nan 0.000 0.451 247 K N 0.748 121.177 120.400 0.048 0.000 2.057 247 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 247 K C 1.873 178.501 176.600 0.046 0.000 1.049 247 K CA 1.400 57.719 56.287 0.052 0.000 0.931 247 K CB -0.114 32.416 32.500 0.051 0.000 0.714 247 K HN 0.581 nan 8.250 nan 0.000 0.440 248 A N 0.392 123.240 122.820 0.048 0.000 2.016 248 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 248 A C 1.991 179.617 177.584 0.069 0.000 1.162 248 A CA 1.181 53.246 52.037 0.046 0.000 0.662 248 A CB -0.094 18.932 19.000 0.043 0.000 0.812 248 A HN 0.185 nan 8.150 nan 0.000 0.450 249 S N -0.300 115.457 115.700 0.095 0.000 2.575 249 S HA 0.090 4.560 4.470 -0.000 0.000 0.215 249 S C 1.639 176.389 174.600 0.249 0.000 0.966 249 S CA 0.387 58.688 58.200 0.169 0.000 0.911 249 S CB -0.660 62.652 63.200 0.186 0.000 0.780 249 S HN 0.624 nan 8.310 nan 0.000 0.514 250 L N -0.316 121.001 121.223 0.157 0.000 2.291 250 L HA 0.233 4.573 4.340 -0.000 0.000 0.214 250 L C 2.153 179.139 176.870 0.193 0.000 1.120 250 L CA 1.334 56.279 54.840 0.174 0.000 0.799 250 L CB -0.787 41.330 42.059 0.096 0.000 0.925 250 L HN 0.293 nan 8.230 nan 0.000 0.446 251 A N 1.480 124.383 122.820 0.137 0.000 1.930 251 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 251 A C 2.332 180.062 177.584 0.243 0.000 1.175 251 A CA 1.459 53.595 52.037 0.165 0.000 0.627 251 A CB -0.569 18.461 19.000 0.051 0.000 0.815 251 A HN 0.786 nan 8.150 nan 0.000 0.443 252 Q N -2.276 117.610 119.800 0.143 0.000 2.230 252 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 252 Q C 1.556 177.452 176.000 -0.173 0.000 0.963 252 Q CA 1.563 57.362 55.803 -0.005 0.000 0.866 252 Q CB -0.531 28.170 28.738 -0.062 0.000 0.931 252 Q HN 0.670 nan 8.270 nan 0.000 0.452 253 Y N 0.855 121.145 120.300 -0.018 0.000 2.475 253 Y HA 0.026 4.575 4.550 -0.000 0.000 0.289 253 Y C 2.333 178.266 175.900 0.055 0.000 1.121 253 Y CA 0.769 58.815 58.100 -0.091 0.000 1.257 253 Y CB 0.356 38.789 38.460 -0.045 0.000 1.026 253 Y HN 0.144 nan 8.280 nan 0.000 0.555 254 E N 0.125 120.471 120.200 0.243 0.000 2.046 254 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 254 E C 2.454 179.138 176.600 0.141 0.000 0.982 254 E CA 1.564 58.107 56.400 0.239 0.000 0.800 254 E CB -0.346 29.568 29.700 0.357 0.000 0.756 254 E HN 0.400 nan 8.360 nan 0.000 0.449 255 V N -0.081 119.882 119.914 0.083 0.000 2.407 255 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 255 V C 2.489 178.593 176.094 0.016 0.000 1.055 255 V CA 1.535 63.828 62.300 -0.012 0.000 1.049 255 V CB -0.848 30.938 31.823 -0.062 0.000 0.662 255 V HN 0.127 nan 8.190 nan 0.000 0.455 256 L N 1.754 122.929 121.223 -0.080 0.000 2.017 256 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 256 L C 2.666 179.610 176.870 0.124 0.000 1.073 256 L CA 2.465 57.219 54.840 -0.143 0.000 0.745 256 L CB -1.191 40.484 42.059 -0.639 0.000 0.894 256 L HN 0.325 nan 8.230 nan 0.000 0.432 257 A N -0.436 122.530 122.820 0.242 0.000 1.902 257 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 257 A C 2.086 179.778 177.584 0.179 0.000 1.181 257 A CA 2.198 54.413 52.037 0.297 0.000 0.623 257 A CB -1.009 18.148 19.000 0.263 0.000 0.818 257 A HN 0.659 nan 8.150 nan 0.000 0.443 258 N N -1.953 116.842 118.700 0.158 0.000 2.142 258 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 258 N C 1.638 177.296 175.510 0.246 0.000 1.023 258 N CA 1.475 54.630 53.050 0.174 0.000 0.852 258 N CB -0.379 38.170 38.487 0.105 0.000 0.998 258 N HN 0.645 nan 8.380 nan 0.000 0.424 259 Y N 1.541 121.896 120.300 0.090 0.000 2.145 259 Y HA -0.085 4.465 4.550 -0.000 0.000 0.286 259 Y C 1.692 177.608 175.900 0.026 0.000 1.145 259 Y CA 1.377 59.501 58.100 0.039 0.000 1.148 259 Y CB -0.337 38.114 38.460 -0.014 0.000 0.981 259 Y HN 0.005 nan 8.280 nan 0.000 0.507 260 L N -0.608 120.632 121.223 0.029 0.000 2.275 260 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 260 L C 1.138 177.968 176.870 -0.067 0.000 1.119 260 L CA 1.614 56.420 54.840 -0.057 0.000 0.790 260 L CB -0.506 41.621 42.059 0.114 0.000 0.919 260 L HN 0.217 nan 8.230 nan 0.000 0.443 261 T N -0.986 113.565 114.554 -0.006 0.000 3.248 261 T HA 0.148 4.498 4.350 -0.000 0.000 0.271 261 T C 0.445 175.154 174.700 0.016 0.000 1.005 261 T CA -0.077 62.029 62.100 0.010 0.000 0.902 261 T CB 0.081 68.979 68.868 0.049 0.000 1.102 261 T HN 0.324 nan 8.240 nan 0.000 0.548 262 S N -0.034 115.623 115.700 -0.071 0.000 2.715 262 S HA 0.788 5.257 4.470 -0.000 0.000 0.307 262 S C 1.301 175.769 174.600 -0.220 0.000 1.119 262 S CA -0.482 57.636 58.200 -0.137 0.000 0.937 262 S CB 1.554 64.596 63.200 -0.264 0.000 1.150 262 S HN 0.068 nan 8.310 nan 0.000 0.521 263 A N 0.034 122.709 122.820 -0.242 0.000 2.209 263 A HA 0.252 4.571 4.320 -0.000 0.000 0.212 263 A C 1.688 179.145 177.584 -0.211 0.000 1.158 263 A CA 0.395 52.317 52.037 -0.193 0.000 0.742 263 A CB -1.017 17.888 19.000 -0.159 0.000 0.790 263 A HN 0.770 nan 8.150 nan 0.000 0.472 264 L N -0.830 120.226 121.223 -0.278 0.000 2.395 264 L HA 0.034 4.374 4.340 -0.000 0.000 0.218 264 L C 1.249 177.933 176.870 -0.311 0.000 1.130 264 L CA 0.509 55.216 54.840 -0.223 0.000 0.826 264 L CB -0.066 41.910 42.059 -0.139 0.000 0.941 264 L HN 0.353 nan 8.230 nan 0.000 0.451 265 S N -0.629 114.774 115.700 -0.495 0.000 2.472 265 S HA 0.206 4.676 4.470 -0.000 0.000 0.303 265 S C 0.831 175.293 174.600 -0.230 0.000 1.099 265 S CA -0.676 57.220 58.200 -0.507 0.000 1.077 265 S CB 1.407 64.096 63.200 -0.852 0.000 1.031 265 S HN 0.183 nan 8.310 nan 0.000 0.487 266 E N 2.307 122.434 120.200 -0.122 0.000 2.347 266 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 266 E C 1.074 177.640 176.600 -0.056 0.000 1.008 266 E CA 0.868 57.228 56.400 -0.067 0.000 0.852 266 E CB -0.197 29.487 29.700 -0.027 0.000 0.783 266 E HN 0.664 nan 8.360 nan 0.000 0.505 267 L N -1.410 119.775 121.223 -0.063 0.000 2.607 267 L HA 0.194 4.533 4.340 -0.000 0.000 0.228 267 L C 1.870 178.713 176.870 -0.044 0.000 1.123 267 L CA 0.276 55.095 54.840 -0.035 0.000 0.890 267 L CB -0.314 41.743 42.059 -0.004 0.000 1.103 267 L HN -0.125 nan 8.230 nan 0.000 0.468 268 S N 0.086 115.737 115.700 -0.081 0.000 2.382 268 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 268 S C 1.923 176.502 174.600 -0.035 0.000 1.027 268 S CA 0.924 59.083 58.200 -0.068 0.000 0.991 268 S CB -1.320 61.817 63.200 -0.104 0.000 0.823 268 S HN 0.488 nan 8.310 nan 0.000 0.469 269 G N 0.327 109.107 108.800 -0.034 0.000 2.776 269 G HA2 0.185 4.145 3.960 -0.000 0.000 0.209 269 G HA3 0.185 4.145 3.960 -0.000 0.000 0.209 269 G C 1.024 175.920 174.900 -0.005 0.000 1.145 269 G CA 0.256 45.344 45.100 -0.018 0.000 0.791 269 G HN 0.448 nan 8.290 nan 0.000 0.530 270 L N 0.188 121.410 121.223 -0.002 0.000 2.556 270 L HA 0.438 4.777 4.340 -0.000 0.000 0.226 270 L C 1.061 177.944 176.870 0.022 0.000 1.089 270 L CA -0.037 54.810 54.840 0.011 0.000 0.864 270 L CB 0.221 42.288 42.059 0.012 0.000 1.067 270 L HN 0.367 nan 8.230 nan 0.000 0.477 271 I N -4.333 116.249 120.570 0.020 0.000 2.412 271 I HA 0.366 4.536 4.170 -0.000 0.000 0.296 271 I C 0.841 176.982 176.117 0.040 0.000 0.987 271 I CA -0.184 61.138 61.300 0.036 0.000 1.180 271 I CB 1.850 39.871 38.000 0.035 0.000 1.340 271 I HN -0.164 nan 8.210 nan 0.000 0.455 272 S N 3.352 119.089 115.700 0.062 0.000 2.395 272 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 272 S C 0.780 175.413 174.600 0.055 0.000 1.027 272 S CA 0.723 58.953 58.200 0.050 0.000 0.965 272 S CB -0.121 63.109 63.200 0.050 0.000 0.812 272 S HN 0.810 nan 8.310 nan 0.000 0.482 273 S N -0.852 114.917 115.700 0.114 0.000 2.543 273 S HA 0.685 5.155 4.470 -0.000 0.000 0.274 273 S C -2.033 172.655 174.600 0.148 0.000 1.149 273 S CA -0.244 58.032 58.200 0.127 0.000 0.866 273 S CB 1.617 64.883 63.200 0.110 0.000 1.111 273 S HN 0.482 nan 8.310 nan 0.000 0.457 274 A N 3.235 126.086 122.820 0.052 0.000 2.488 274 A HA 0.854 5.174 4.320 -0.000 0.000 0.295 274 A C -1.110 176.418 177.584 -0.095 0.000 1.045 274 A CA -0.764 51.212 52.037 -0.102 0.000 0.703 274 A CB 1.251 20.216 19.000 -0.059 0.000 1.271 274 A HN 1.072 nan 8.150 nan 0.000 0.400 275 K N 0.535 120.793 120.400 -0.236 0.000 2.615 275 K HA 0.740 5.060 4.320 -0.000 0.000 0.291 275 K C -2.037 174.501 176.600 -0.103 0.000 1.017 275 K CA -0.907 55.328 56.287 -0.086 0.000 0.882 275 K CB 1.347 33.846 32.500 -0.002 0.000 1.522 275 K HN 0.860 nan 8.250 nan 0.000 0.412 276 L N 1.626 122.880 121.223 0.052 0.000 2.342 276 L HA 0.441 4.781 4.340 -0.000 0.000 0.276 276 L C -1.541 175.351 176.870 0.035 0.000 0.997 276 L CA -0.110 54.795 54.840 0.108 0.000 0.838 276 L CB 1.406 43.595 42.059 0.216 0.000 1.224 276 L HN 0.581 nan 8.230 nan 0.000 0.416 277 D N 5.291 125.701 120.400 0.016 0.000 2.336 277 D HA 0.226 4.866 4.640 -0.000 0.000 0.249 277 D C -0.434 175.673 176.300 -0.322 0.000 1.213 277 D CA 0.113 54.045 54.000 -0.113 0.000 0.870 277 D CB 0.926 41.769 40.800 0.072 0.000 1.076 277 D HN 0.471 nan 8.370 nan 0.000 0.483 278 K N 2.453 122.608 120.400 -0.409 0.000 2.183 278 K HA 0.502 4.822 4.320 -0.000 0.000 0.274 278 K C -0.412 175.845 176.600 -0.572 0.000 1.009 278 K CA -0.484 55.599 56.287 -0.340 0.000 0.888 278 K CB 1.311 33.745 32.500 -0.111 0.000 1.078 278 K HN 0.215 nan 8.250 nan 0.000 0.459 279 F N -0.691 119.299 119.950 0.067 0.000 2.631 279 F HA 0.187 4.714 4.527 -0.000 0.000 0.328 279 F C 1.903 177.733 175.800 0.050 0.000 1.067 279 F CA -0.994 57.037 58.000 0.050 0.000 0.969 279 F CB 1.512 40.513 39.000 0.002 0.000 1.332 279 F HN 0.624 nan 8.300 nan 0.000 0.490 280 T N -3.406 111.303 114.554 0.257 0.000 2.915 280 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 280 T C 0.704 175.478 174.700 0.124 0.000 1.071 280 T CA 1.532 63.727 62.100 0.159 0.000 1.132 280 T CB -0.445 68.507 68.868 0.139 0.000 0.878 280 T HN 0.615 nan 8.240 nan 0.000 0.479 281 D N 0.638 121.117 120.400 0.131 0.000 2.427 281 D HA 0.461 5.100 4.640 -0.000 0.000 0.224 281 D C 1.006 177.366 176.300 0.099 0.000 1.157 281 D CA 0.085 54.135 54.000 0.083 0.000 0.828 281 D CB -0.068 40.751 40.800 0.033 0.000 0.974 281 D HN 0.688 nan 8.370 nan 0.000 0.498 282 G N -1.625 107.263 108.800 0.147 0.000 2.280 282 G HA2 0.428 4.388 3.960 -0.000 0.000 0.277 282 G HA3 0.428 4.388 3.960 -0.000 0.000 0.277 282 G C -0.399 174.646 174.900 0.242 0.000 1.288 282 G CA -0.284 44.904 45.100 0.146 0.000 1.075 282 G HN 0.855 nan 8.290 nan 0.000 0.480 283 G N -1.769 107.169 108.800 0.230 0.000 2.548 283 G HA2 0.732 4.692 3.960 -0.000 0.000 0.301 283 G HA3 0.732 4.692 3.960 -0.000 0.000 0.301 283 G C -2.200 172.857 174.900 0.263 0.000 1.349 283 G CA 0.169 45.444 45.100 0.291 0.000 0.792 283 G HN 1.814 nan 8.290 nan 0.000 0.481 284 L N 0.129 121.491 121.223 0.233 0.000 2.438 284 L HA 0.792 5.132 4.340 -0.000 0.000 0.270 284 L C -1.506 175.410 176.870 0.076 0.000 0.972 284 L CA -0.893 54.023 54.840 0.128 0.000 0.831 284 L CB 1.696 43.796 42.059 0.068 0.000 1.273 284 L HN 0.568 nan 8.230 nan 0.000 0.405 285 F N 4.328 124.212 119.950 -0.110 0.000 2.404 285 F HA 0.720 5.247 4.527 -0.000 0.000 0.345 285 F C -0.035 175.710 175.800 -0.092 0.000 1.110 285 F CA 0.060 58.023 58.000 -0.063 0.000 1.130 285 F CB 1.238 40.217 39.000 -0.034 0.000 1.129 285 F HN 0.652 nan 8.300 nan 0.000 0.500 286 T N 5.689 119.773 114.554 -0.783 0.000 2.886 286 T HA 0.616 4.966 4.350 -0.000 0.000 0.292 286 T C -1.334 172.755 174.700 -1.018 0.000 1.012 286 T CA -0.806 60.849 62.100 -0.743 0.000 0.982 286 T CB 1.602 70.242 68.868 -0.381 0.000 1.018 286 T HN 0.834 nan 8.240 nan 0.000 0.451 287 L N 3.196 123.848 121.223 -0.952 0.000 2.409 287 L HA 0.800 5.140 4.340 -0.000 0.000 0.272 287 L C -1.940 174.528 176.870 -0.670 0.000 0.980 287 L CA -1.046 53.428 54.840 -0.611 0.000 0.826 287 L CB 1.235 43.147 42.059 -0.245 0.000 1.268 287 L HN 0.750 nan 8.230 nan 0.000 0.407 288 F N 4.069 123.972 119.950 -0.079 0.000 2.520 288 F HA 0.630 5.157 4.527 -0.000 0.000 0.322 288 F C -0.313 175.471 175.800 -0.025 0.000 1.103 288 F CA -0.926 57.045 58.000 -0.049 0.000 0.926 288 F CB 2.131 41.094 39.000 -0.062 0.000 1.154 288 F HN -0.013 nan 8.300 nan 0.000 0.453 289 V N 3.566 123.578 119.914 0.163 0.000 2.350 289 V HA 0.539 4.659 4.120 -0.000 0.000 0.285 289 V C -0.466 175.685 176.094 0.094 0.000 1.014 289 V CA -0.744 61.618 62.300 0.104 0.000 0.831 289 V CB 1.533 33.405 31.823 0.081 0.000 1.000 289 V HN 0.771 nan 8.190 nan 0.000 0.433 290 R N 3.232 123.774 120.500 0.070 0.000 2.561 290 R HA 0.734 5.074 4.340 -0.000 0.000 0.297 290 R C -1.744 174.578 176.300 0.036 0.000 0.969 290 R CA -0.369 55.759 56.100 0.046 0.000 0.879 290 R CB 2.078 32.390 30.300 0.019 0.000 1.178 290 R HN 0.847 nan 8.270 nan 0.000 0.445 291 D N 0.601 121.024 120.400 0.039 0.000 2.663 291 D HA 0.011 4.651 4.640 -0.000 0.000 0.233 291 D C 0.384 176.708 176.300 0.040 0.000 1.240 291 D CA -0.428 53.592 54.000 0.035 0.000 0.774 291 D CB 1.575 42.395 40.800 0.033 0.000 1.443 291 D HN 0.505 nan 8.370 nan 0.000 0.441 292 Q N 0.695 120.515 119.800 0.033 0.000 2.291 292 Q HA -0.026 4.314 4.340 -0.000 0.000 0.205 292 Q C -0.065 175.954 176.000 0.031 0.000 0.970 292 Q CA 0.884 56.706 55.803 0.033 0.000 0.876 292 Q CB -0.093 28.658 28.738 0.023 0.000 0.935 292 Q HN 0.390 nan 8.270 nan 0.000 0.455 293 D N 1.174 121.592 120.400 0.029 0.000 2.274 293 D HA 0.105 4.745 4.640 -0.000 0.000 0.239 293 D C 0.757 177.077 176.300 0.035 0.000 1.104 293 D CA -0.016 54.001 54.000 0.028 0.000 0.840 293 D CB 1.474 42.288 40.800 0.024 0.000 1.100 293 D HN 0.075 nan 8.370 nan 0.000 0.477 294 S N 2.892 118.614 115.700 0.036 0.000 2.402 294 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 294 S C 1.958 176.583 174.600 0.043 0.000 1.021 294 S CA 0.779 59.004 58.200 0.041 0.000 0.974 294 S CB -0.181 63.042 63.200 0.039 0.000 0.800 294 S HN 0.466 nan 8.310 nan 0.000 0.484 295 A N 1.563 124.405 122.820 0.038 0.000 1.930 295 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 295 A C 2.378 179.985 177.584 0.038 0.000 1.175 295 A CA 1.545 53.604 52.037 0.037 0.000 0.627 295 A CB -1.014 18.004 19.000 0.031 0.000 0.815 295 A HN 0.438 nan 8.150 nan 0.000 0.443 296 V N -0.329 119.606 119.914 0.035 0.000 2.427 296 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 296 V C 2.551 178.669 176.094 0.041 0.000 1.051 296 V CA 1.848 64.168 62.300 0.034 0.000 1.048 296 V CB -0.618 31.222 31.823 0.029 0.000 0.666 296 V HN 0.377 nan 8.190 nan 0.000 0.456 297 V N -0.238 119.704 119.914 0.048 0.000 2.358 297 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 297 V C 2.541 178.677 176.094 0.070 0.000 1.047 297 V CA 2.222 64.558 62.300 0.059 0.000 1.035 297 V CB -0.724 31.137 31.823 0.062 0.000 0.658 297 V HN 0.544 nan 8.190 nan 0.000 0.452 298 S N 0.250 115.989 115.700 0.066 0.000 2.356 298 S HA -0.200 4.270 4.470 -0.000 0.000 0.223 298 S C 2.252 176.887 174.600 0.058 0.000 1.032 298 S CA 1.866 60.108 58.200 0.070 0.000 1.005 298 S CB -0.345 62.893 63.200 0.064 0.000 0.867 298 S HN 0.605 nan 8.310 nan 0.000 0.449 299 S N 2.061 117.789 115.700 0.047 0.000 2.355 299 S HA -0.070 4.400 4.470 -0.000 0.000 0.222 299 S C 1.798 176.421 174.600 0.038 0.000 1.031 299 S CA 1.051 59.275 58.200 0.039 0.000 0.993 299 S CB -0.530 62.690 63.200 0.032 0.000 0.859 299 S HN 0.422 nan 8.310 nan 0.000 0.453 300 N N 1.484 120.208 118.700 0.041 0.000 2.043 300 N HA -0.044 4.696 4.740 -0.000 0.000 0.193 300 N C 1.627 177.163 175.510 0.044 0.000 1.037 300 N CA 0.865 53.938 53.050 0.039 0.000 0.851 300 N CB -0.605 37.906 38.487 0.040 0.000 1.027 300 N HN 0.266 nan 8.380 nan 0.000 0.422 301 I N 1.465 122.071 120.570 0.060 0.000 2.226 301 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 301 I C 1.725 177.868 176.117 0.043 0.000 1.100 301 I CA 1.490 62.830 61.300 0.067 0.000 1.374 301 I CB -0.163 37.914 38.000 0.128 0.000 1.057 301 I HN 0.052 nan 8.210 nan 0.000 0.413 302 K N -0.019 120.406 120.400 0.042 0.000 2.063 302 K HA -0.260 4.060 4.320 -0.000 0.000 0.208 302 K C 2.190 178.806 176.600 0.027 0.000 1.048 302 K CA 1.705 58.010 56.287 0.030 0.000 0.928 302 K CB -0.219 32.301 32.500 0.033 0.000 0.713 302 K HN 0.119 nan 8.250 nan 0.000 0.442 303 K N 1.269 121.686 120.400 0.028 0.000 2.057 303 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 303 K C 1.845 178.460 176.600 0.026 0.000 1.050 303 K CA 1.086 57.388 56.287 0.025 0.000 0.935 303 K CB -0.113 32.401 32.500 0.024 0.000 0.715 303 K HN -0.034 nan 8.250 nan 0.000 0.439 304 I N 0.619 121.204 120.570 0.025 0.000 2.127 304 I HA -0.232 3.938 4.170 -0.000 0.000 0.241 304 I C 2.236 178.362 176.117 0.015 0.000 1.075 304 I CA 1.081 62.396 61.300 0.025 0.000 1.334 304 I CB -1.162 36.851 38.000 0.022 0.000 1.040 304 I HN -0.018 nan 8.210 nan 0.000 0.405 305 V N 1.484 121.393 119.914 -0.009 0.000 2.295 305 V HA -0.262 3.857 4.120 -0.000 0.000 0.246 305 V C 2.870 178.973 176.094 0.014 0.000 1.049 305 V CA 1.899 64.181 62.300 -0.031 0.000 1.024 305 V CB -1.214 30.592 31.823 -0.028 0.000 0.648 305 V HN 0.474 nan 8.190 nan 0.000 0.447 306 A N -0.159 122.676 122.820 0.024 0.000 1.902 306 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 306 A C 1.959 179.559 177.584 0.027 0.000 1.181 306 A CA 2.249 54.302 52.037 0.027 0.000 0.623 306 A CB -0.670 18.345 19.000 0.025 0.000 0.818 306 A HN 0.549 nan 8.150 nan 0.000 0.443 307 D N -0.160 120.260 120.400 0.033 0.000 2.117 307 D HA -0.071 4.569 4.640 -0.000 0.000 0.198 307 D C 1.908 178.242 176.300 0.056 0.000 0.982 307 D CA 0.929 54.956 54.000 0.044 0.000 0.828 307 D CB -0.212 40.620 40.800 0.053 0.000 0.967 307 D HN 0.417 nan 8.370 nan 0.000 0.464 308 L N 0.232 121.497 121.223 0.070 0.000 2.141 308 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 308 L C 2.219 179.100 176.870 0.019 0.000 1.094 308 L CA 0.979 55.885 54.840 0.110 0.000 0.763 308 L CB -0.246 41.914 42.059 0.169 0.000 0.908 308 L HN -0.005 nan 8.230 nan 0.000 0.437 309 K N 0.279 120.682 120.400 0.005 0.000 2.148 309 K HA -0.200 4.120 4.320 -0.000 0.000 0.204 309 K C 2.120 178.695 176.600 -0.043 0.000 1.050 309 K CA 1.107 57.380 56.287 -0.024 0.000 0.942 309 K CB 0.027 32.536 32.500 0.016 0.000 0.724 309 K HN 0.105 nan 8.250 nan 0.000 0.446 310 K N 0.084 120.472 120.400 -0.019 0.000 2.365 310 K HA -0.040 4.279 4.320 -0.000 0.000 0.199 310 K C 0.171 176.748 176.600 -0.038 0.000 1.045 310 K CA 0.706 56.980 56.287 -0.021 0.000 0.962 310 K CB 0.162 32.661 32.500 -0.001 0.000 0.759 310 K HN 0.283 nan 8.250 nan 0.000 0.469 311 G N 1.287 110.060 108.800 -0.045 0.000 2.733 311 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.686 311 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.686 311 G C -1.392 173.500 174.900 -0.013 0.000 1.373 311 G CA -0.175 44.887 45.100 -0.065 0.000 0.838 311 G HN 0.255 nan 8.290 nan 0.000 0.588 312 K N -0.049 120.343 120.400 -0.014 0.000 2.575 312 K HA 0.610 4.929 4.320 -0.000 0.000 0.279 312 K C -1.690 174.843 176.600 -0.112 0.000 0.969 312 K CA -0.916 55.348 56.287 -0.040 0.000 0.868 312 K CB 2.044 34.541 32.500 -0.006 0.000 1.457 312 K HN 0.589 nan 8.250 nan 0.000 0.426 313 D N 1.707 122.026 120.400 -0.136 0.000 2.339 313 D HA 0.224 4.864 4.640 -0.000 0.000 0.241 313 D C 0.455 176.576 176.300 -0.298 0.000 1.183 313 D CA -0.405 53.502 54.000 -0.155 0.000 0.859 313 D CB 0.517 41.264 40.800 -0.088 0.000 1.067 313 D HN 0.550 nan 8.370 nan 0.000 0.484 314 L N 2.694 123.738 121.223 -0.299 0.000 2.592 314 L HA 0.058 4.398 4.340 -0.000 0.000 0.227 314 L C 2.011 178.771 176.870 -0.183 0.000 1.127 314 L CA -0.130 54.484 54.840 -0.375 0.000 0.884 314 L CB -0.076 41.797 42.059 -0.309 0.000 1.065 314 L HN 0.317 nan 8.230 nan 0.000 0.457 315 S N 1.139 116.768 115.700 -0.118 0.000 2.370 315 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 315 S C -0.443 174.136 174.600 -0.034 0.000 1.033 315 S CA 1.405 59.570 58.200 -0.058 0.000 1.011 315 S CB -0.890 62.286 63.200 -0.040 0.000 0.852 315 S HN 0.338 nan 8.310 nan 0.000 0.457 316 P HA 0.070 nan 4.420 nan 0.000 0.222 316 P C 0.705 178.027 177.300 0.035 0.000 1.147 316 P CA 0.959 64.065 63.100 0.010 0.000 0.790 316 P CB -0.016 31.702 31.700 0.030 0.000 0.780 317 A N -1.570 121.279 122.820 0.049 0.000 2.307 317 A HA 0.089 4.409 4.320 -0.000 0.000 0.218 317 A C 1.752 179.363 177.584 0.045 0.000 1.228 317 A CA -0.077 52.026 52.037 0.110 0.000 0.857 317 A CB -1.143 17.988 19.000 0.218 0.000 0.897 317 A HN 0.078 nan 8.150 nan 0.000 0.495 318 I N 0.534 121.094 120.570 -0.016 0.000 2.163 318 I HA -0.198 3.972 4.170 -0.000 0.000 0.240 318 I C 1.692 177.748 176.117 -0.102 0.000 1.081 318 I CA 1.790 63.038 61.300 -0.088 0.000 1.353 318 I CB -0.305 37.668 38.000 -0.045 0.000 1.054 318 I HN 0.277 nan 8.210 nan 0.000 0.407 319 N N -0.447 118.242 118.700 -0.018 0.000 2.223 319 N HA -0.249 4.491 4.740 -0.000 0.000 0.185 319 N C 1.902 177.425 175.510 0.021 0.000 1.016 319 N CA 1.584 54.633 53.050 -0.002 0.000 0.863 319 N CB -0.657 37.847 38.487 0.028 0.000 0.983 319 N HN 0.607 nan 8.380 nan 0.000 0.429 320 Y N 1.167 121.418 120.300 -0.082 0.000 2.163 320 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 320 Y C 2.734 178.569 175.900 -0.108 0.000 1.136 320 Y CA 1.758 59.816 58.100 -0.070 0.000 1.147 320 Y CB -0.420 38.016 38.460 -0.041 0.000 0.987 320 Y HN 0.001 nan 8.280 nan 0.000 0.509 321 T N -0.080 114.370 114.554 -0.173 0.000 2.833 321 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 321 T C 1.785 176.231 174.700 -0.424 0.000 1.054 321 T CA 1.829 63.713 62.100 -0.360 0.000 1.135 321 T CB -0.236 68.381 68.868 -0.418 0.000 0.869 321 T HN 0.377 nan 8.240 nan 0.000 0.466 322 K N 0.487 120.654 120.400 -0.389 0.000 2.057 322 K HA -0.009 4.311 4.320 -0.000 0.000 0.207 322 K C 2.234 178.779 176.600 -0.091 0.000 1.049 322 K CA 1.128 57.295 56.287 -0.199 0.000 0.931 322 K CB -0.333 32.118 32.500 -0.082 0.000 0.714 322 K HN 0.287 nan 8.250 nan 0.000 0.440 323 L N 1.387 122.530 121.223 -0.133 0.000 2.027 323 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 323 L C 1.824 178.604 176.870 -0.151 0.000 1.074 323 L CA 1.894 56.665 54.840 -0.115 0.000 0.745 323 L CB -0.338 41.653 42.059 -0.113 0.000 0.898 323 L HN -0.015 nan 8.230 nan 0.000 0.433 324 K N 0.454 120.694 120.400 -0.265 0.000 2.097 324 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 324 K C 1.970 178.508 176.600 -0.103 0.000 1.050 324 K CA 1.360 57.505 56.287 -0.236 0.000 0.938 324 K CB -0.429 31.852 32.500 -0.364 0.000 0.718 324 K HN 0.397 nan 8.250 nan 0.000 0.442 325 N N -0.177 118.491 118.700 -0.054 0.000 2.309 325 N HA -0.121 4.619 4.740 -0.000 0.000 0.182 325 N C 1.324 176.866 175.510 0.053 0.000 1.018 325 N CA 1.103 54.190 53.050 0.061 0.000 0.876 325 N CB 0.117 38.748 38.487 0.241 0.000 0.972 325 N HN 0.190 nan 8.380 nan 0.000 0.434 326 A N 0.747 123.582 122.820 0.024 0.000 2.067 326 A HA -0.005 4.314 4.320 -0.000 0.000 0.217 326 A C 2.072 179.656 177.584 -0.001 0.000 1.156 326 A CA 0.852 52.901 52.037 0.020 0.000 0.683 326 A CB -0.524 18.486 19.000 0.016 0.000 0.808 326 A HN 0.263 nan 8.150 nan 0.000 0.455 327 V N -2.091 117.810 119.914 -0.020 0.000 3.488 327 V HA -0.064 4.056 4.120 -0.000 0.000 0.273 327 V C 0.635 176.721 176.094 -0.014 0.000 1.209 327 V CA 1.113 63.399 62.300 -0.023 0.000 1.179 327 V CB -1.317 30.482 31.823 -0.039 0.000 0.842 327 V HN 0.594 nan 8.190 nan 0.000 0.515 328 Q N 1.021 120.818 119.800 -0.004 0.000 2.936 328 Q HA 0.317 4.657 4.340 -0.000 0.000 0.383 328 Q C 0.490 176.490 176.000 0.001 0.000 1.167 328 Q CA -0.325 55.478 55.803 -0.000 0.000 1.038 328 Q CB 0.209 28.952 28.738 0.009 0.000 1.409 328 Q HN 0.536 nan 8.270 nan 0.000 0.448 329 N N 1.231 119.928 118.700 -0.005 0.000 2.270 329 N HA -0.152 4.588 4.740 -0.000 0.000 0.181 329 N C 1.262 176.765 175.510 -0.010 0.000 1.016 329 N CA 1.094 54.140 53.050 -0.006 0.000 0.870 329 N CB 0.322 38.803 38.487 -0.010 0.000 0.979 329 N HN 0.497 nan 8.380 nan 0.000 0.431 330 E N 0.305 120.496 120.200 -0.014 0.000 2.153 330 E HA -0.038 4.312 4.350 -0.000 0.000 0.194 330 E C 0.694 177.283 176.600 -0.018 0.000 0.988 330 E CA 0.470 56.858 56.400 -0.020 0.000 0.811 330 E CB -0.462 29.224 29.700 -0.022 0.000 0.746 330 E HN 0.001 nan 8.360 nan 0.000 0.466 331 S N -0.311 115.382 115.700 -0.012 0.000 2.531 331 S HA 0.183 4.653 4.470 -0.000 0.000 0.279 331 S C 0.868 175.465 174.600 -0.006 0.000 1.305 331 S CA -0.537 57.657 58.200 -0.011 0.000 1.058 331 S CB 0.994 64.194 63.200 -0.000 0.000 0.899 331 S HN 0.102 nan 8.310 nan 0.000 0.493 332 V N 4.233 124.141 119.914 -0.010 0.000 2.521 332 V HA 0.043 4.163 4.120 -0.000 0.000 0.239 332 V C 1.653 177.755 176.094 0.013 0.000 1.053 332 V CA 1.261 63.561 62.300 0.000 0.000 1.073 332 V CB -0.281 31.541 31.823 -0.002 0.000 0.746 332 V HN 0.977 nan 8.190 nan 0.000 0.476 333 S N 1.411 117.121 115.700 0.016 0.000 2.849 333 S HA 0.168 4.638 4.470 -0.000 0.000 0.244 333 S C 0.480 175.116 174.600 0.059 0.000 1.297 333 S CA -0.205 58.023 58.200 0.046 0.000 1.241 333 S CB -0.737 62.504 63.200 0.068 0.000 0.958 333 S HN 0.541 nan 8.310 nan 0.000 0.489 334 S N 1.193 116.918 115.700 0.040 0.000 2.548 334 S HA 0.409 4.879 4.470 -0.000 0.000 0.277 334 S C -2.690 171.933 174.600 0.038 0.000 1.315 334 S CA -1.150 57.074 58.200 0.040 0.000 1.050 334 S CB -0.263 62.953 63.200 0.026 0.000 0.918 334 S HN 0.291 nan 8.310 nan 0.000 0.497 335 P HA 0.232 nan 4.420 nan 0.000 0.269 335 P C -0.241 177.051 177.300 -0.012 0.000 1.252 335 P CA -0.447 62.667 63.100 0.024 0.000 0.780 335 P CB -0.231 31.486 31.700 0.029 0.000 0.829 336 I N -0.320 120.237 120.570 -0.021 0.000 2.618 336 I HA 0.175 4.345 4.170 -0.000 0.000 0.284 336 I C 0.174 176.218 176.117 -0.121 0.000 1.146 336 I CA 0.419 61.686 61.300 -0.056 0.000 1.425 336 I CB 0.244 38.223 38.000 -0.034 0.000 1.383 336 I HN 0.270 nan 8.210 nan 0.000 0.562 337 E N 5.979 126.040 120.200 -0.232 0.000 3.303 337 E HA 0.226 4.575 4.350 -0.000 0.000 0.215 337 E C -0.125 176.159 176.600 -0.526 0.000 1.181 337 E CA -0.354 55.788 56.400 -0.431 0.000 0.998 337 E CB 0.854 30.136 29.700 -0.698 0.000 1.312 337 E HN 0.596 nan 8.360 nan 0.000 0.412 338 L N 1.175 122.249 121.223 -0.248 0.000 2.650 338 L HA 0.028 4.367 4.340 -0.000 0.000 0.235 338 L C 0.787 177.590 176.870 -0.112 0.000 1.149 338 L CA 0.966 55.723 54.840 -0.139 0.000 0.887 338 L CB -1.112 40.913 42.059 -0.057 0.000 1.021 338 L HN 0.352 nan 8.230 nan 0.000 0.441 339 N N -0.845 117.738 118.700 -0.195 0.000 2.494 339 N HA -0.100 4.640 4.740 -0.000 0.000 0.182 339 N C 1.475 177.000 175.510 0.026 0.000 1.076 339 N CA 0.337 53.336 53.050 -0.085 0.000 0.908 339 N CB -0.057 38.377 38.487 -0.088 0.000 0.967 339 N HN 0.058 nan 8.380 nan 0.000 0.449 340 F N 1.612 121.573 119.950 0.018 0.000 2.115 340 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 340 F C 1.045 176.851 175.800 0.010 0.000 1.092 340 F CA 0.714 58.723 58.000 0.014 0.000 1.245 340 F CB -0.602 38.407 39.000 0.015 0.000 0.995 340 F HN 0.083 nan 8.300 nan 0.000 0.481 341 D N 0.003 120.525 120.400 0.203 0.000 2.767 341 D HA 0.360 5.000 4.640 -0.000 0.000 0.231 341 D C 1.149 177.494 176.300 0.076 0.000 1.105 341 D CA 0.682 54.750 54.000 0.114 0.000 1.024 341 D CB 0.112 40.964 40.800 0.087 0.000 1.123 341 D HN 0.317 nan 8.370 nan 0.000 0.470 342 A N -0.287 122.580 122.820 0.077 0.000 2.590 342 A HA 0.003 4.323 4.320 -0.000 0.000 0.153 342 A C 0.605 178.216 177.584 0.044 0.000 1.705 342 A CA -0.190 51.877 52.037 0.051 0.000 1.228 342 A CB -0.011 19.016 19.000 0.045 0.000 1.463 342 A HN 0.202 nan 8.150 nan 0.000 0.425 343 V N -0.251 119.699 119.914 0.061 0.000 2.686 343 V HA 0.691 4.811 4.120 -0.000 0.000 0.295 343 V C 0.465 176.559 176.094 0.001 0.000 1.055 343 V CA 0.906 63.227 62.300 0.035 0.000 1.050 343 V CB 1.424 33.279 31.823 0.054 0.000 0.984 343 V HN 0.505 nan 8.190 nan 0.000 0.482 344 K N 1.503 121.891 120.400 -0.020 0.000 2.971 344 K HA 0.275 4.595 4.320 -0.000 0.000 0.223 344 K C -0.234 176.329 176.600 -0.062 0.000 1.864 344 K CA -0.159 56.104 56.287 -0.040 0.000 1.245 344 K CB 0.806 33.290 32.500 -0.026 0.000 2.182 344 K HN 0.841 nan 8.250 nan 0.000 0.504 345 D N 0.024 120.397 120.400 -0.046 0.000 2.228 345 D HA 0.276 4.915 4.640 -0.000 0.000 0.247 345 D C -1.352 174.940 176.300 -0.013 0.000 0.995 345 D CA -0.192 53.778 54.000 -0.050 0.000 0.903 345 D CB 1.989 42.754 40.800 -0.058 0.000 1.205 345 D HN 0.100 nan 8.370 nan 0.000 0.459 346 F N 0.733 120.572 119.950 -0.184 0.000 2.581 346 F HA 0.390 4.917 4.527 -0.000 0.000 0.311 346 F C -1.235 174.471 175.800 -0.156 0.000 1.113 346 F CA -0.739 57.132 58.000 -0.215 0.000 0.935 346 F CB 1.857 40.670 39.000 -0.312 0.000 1.232 346 F HN 0.045 nan 8.300 nan 0.000 0.445 347 K N 6.533 126.197 120.400 -1.227 0.000 2.507 347 K HA 0.459 4.779 4.320 -0.000 0.000 0.251 347 K C -1.908 173.984 176.600 -1.180 0.000 0.943 347 K CA -0.981 54.784 56.287 -0.870 0.000 0.794 347 K CB 1.786 34.039 32.500 -0.413 0.000 1.188 347 K HN 0.749 nan 8.250 nan 0.000 0.428 348 L N 4.557 125.312 121.223 -0.780 0.000 2.433 348 L HA 0.307 4.647 4.340 -0.000 0.000 0.275 348 L C 0.363 177.175 176.870 -0.096 0.000 1.128 348 L CA 0.852 55.498 54.840 -0.324 0.000 0.875 348 L CB 0.654 42.714 42.059 0.001 0.000 1.171 348 L HN 0.809 nan 8.230 nan 0.000 0.463 349 G N 4.572 113.369 108.800 -0.004 0.000 3.182 349 G HA2 0.237 4.197 3.960 -0.000 0.000 0.167 349 G HA3 0.237 4.197 3.960 -0.000 0.000 0.167 349 G C -0.429 174.590 174.900 0.199 0.000 1.537 349 G CA -0.650 44.488 45.100 0.063 0.000 1.046 349 G HN 0.561 nan 8.290 nan 0.000 0.580 350 K N -0.044 120.441 120.400 0.141 0.000 2.202 350 K HA 0.483 4.803 4.320 -0.000 0.000 0.264 350 K C -0.824 175.913 176.600 0.228 0.000 1.010 350 K CA 0.154 56.498 56.287 0.095 0.000 0.940 350 K CB 0.782 33.300 32.500 0.030 0.000 0.983 350 K HN 0.437 nan 8.250 nan 0.000 0.475 351 F N -1.667 118.321 119.950 0.063 0.000 2.831 351 F HA 0.464 4.991 4.527 -0.000 0.000 0.318 351 F C -1.117 174.728 175.800 0.075 0.000 1.174 351 F CA -1.421 56.620 58.000 0.069 0.000 0.918 351 F CB 0.985 40.045 39.000 0.100 0.000 1.364 351 F HN 0.223 nan 8.300 nan 0.000 0.475 352 N N 0.075 118.954 118.700 0.299 0.000 2.384 352 N HA 0.393 5.133 4.740 -0.000 0.000 0.301 352 N C -2.149 173.598 175.510 0.395 0.000 1.133 352 N CA -0.410 52.753 53.050 0.188 0.000 0.853 352 N CB 2.350 40.890 38.487 0.088 0.000 1.241 352 N HN 0.822 nan 8.380 nan 0.000 0.502 353 Y N 0.355 120.732 120.300 0.129 0.000 2.492 353 Y HA 0.522 5.072 4.550 -0.000 0.000 0.346 353 Y C -1.122 174.820 175.900 0.071 0.000 0.997 353 Y CA -0.853 57.339 58.100 0.153 0.000 1.025 353 Y CB 1.217 39.806 38.460 0.214 0.000 1.263 353 Y HN 0.289 nan 8.280 nan 0.000 0.454 354 V N 2.118 121.684 119.914 -0.581 0.000 2.760 354 V HA 1.008 5.128 4.120 -0.000 0.000 0.309 354 V C -1.043 174.620 176.094 -0.720 0.000 1.077 354 V CA -0.620 61.386 62.300 -0.490 0.000 0.910 354 V CB 1.123 32.830 31.823 -0.193 0.000 1.008 354 V HN 1.175 nan 8.190 nan 0.000 0.424 355 A N 3.914 126.440 122.820 -0.490 0.000 2.318 355 A HA 0.934 5.254 4.320 -0.000 0.000 0.324 355 A C -0.743 176.748 177.584 -0.155 0.000 1.170 355 A CA -0.709 51.134 52.037 -0.324 0.000 0.810 355 A CB 1.710 20.575 19.000 -0.226 0.000 1.198 355 A HN 1.454 nan 8.150 nan 0.000 0.484 356 V N 2.179 122.034 119.914 -0.097 0.000 2.577 356 V HA 0.820 4.940 4.120 -0.000 0.000 0.303 356 V C 0.738 176.854 176.094 0.036 0.000 1.042 356 V CA 0.652 62.923 62.300 -0.048 0.000 0.872 356 V CB 0.915 32.666 31.823 -0.121 0.000 0.998 356 V HN 2.128 nan 8.190 nan 0.000 0.423 357 G N 4.520 113.398 108.800 0.131 0.000 2.637 357 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.211 357 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.211 357 G C -0.318 174.644 174.900 0.104 0.000 1.213 357 G CA 0.072 45.295 45.100 0.204 0.000 1.207 357 G HN 0.701 nan 8.290 nan 0.000 0.559 358 D N 1.639 122.081 120.400 0.070 0.000 2.767 358 D HA 0.412 5.052 4.640 -0.000 0.000 0.231 358 D C 1.960 178.275 176.300 0.025 0.000 1.105 358 D CA 0.531 54.555 54.000 0.041 0.000 1.024 358 D CB 0.200 41.022 40.800 0.036 0.000 1.123 358 D HN 0.293 nan 8.370 nan 0.000 0.470 359 V N 1.038 120.961 119.914 0.015 0.000 2.453 359 V HA -0.262 3.858 4.120 -0.000 0.000 0.252 359 V C 2.292 178.367 176.094 -0.031 0.000 1.068 359 V CA 1.771 64.054 62.300 -0.028 0.000 1.070 359 V CB -0.329 31.480 31.823 -0.024 0.000 0.664 359 V HN 0.405 nan 8.190 nan 0.000 0.461 360 S N 0.079 115.795 115.700 0.027 0.000 2.507 360 S HA -0.041 4.428 4.470 -0.000 0.000 0.235 360 S C 1.241 175.888 174.600 0.078 0.000 0.988 360 S CA 0.744 58.987 58.200 0.072 0.000 0.944 360 S CB -0.227 63.016 63.200 0.070 0.000 0.762 360 S HN 0.676 nan 8.310 nan 0.000 0.526 361 N N 0.679 119.407 118.700 0.047 0.000 2.365 361 N HA 0.263 5.003 4.740 -0.000 0.000 0.257 361 N C -1.218 174.318 175.510 0.043 0.000 1.287 361 N CA -0.066 53.017 53.050 0.055 0.000 0.882 361 N CB 0.778 39.293 38.487 0.047 0.000 1.250 361 N HN 0.179 nan 8.380 nan 0.000 0.507 362 L N 1.177 122.405 121.223 0.007 0.000 2.333 362 L HA 0.618 4.958 4.340 -0.000 0.000 0.269 362 L C -2.184 174.674 176.870 -0.019 0.000 1.010 362 L CA -2.177 52.667 54.840 0.006 0.000 0.818 362 L CB 1.538 43.588 42.059 -0.015 0.000 1.306 362 L HN -0.119 nan 8.230 nan 0.000 0.430 363 P HA 0.210 nan 4.420 nan 0.000 0.272 363 P C -1.427 175.892 177.300 0.032 0.000 1.223 363 P CA 0.047 63.199 63.100 0.086 0.000 0.784 363 P CB 0.320 32.058 31.700 0.063 0.000 0.923 364 Y N 0.314 120.644 120.300 0.051 0.000 2.453 364 Y HA 0.193 4.743 4.550 -0.000 0.000 0.326 364 Y C 1.517 177.333 175.900 -0.139 0.000 1.186 364 Y CA -0.690 57.445 58.100 0.058 0.000 1.200 364 Y CB 0.756 39.245 38.460 0.049 0.000 1.247 364 Y HN 0.193 nan 8.280 nan 0.000 0.482 365 L N 1.225 122.466 121.223 0.030 0.000 2.081 365 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 365 L C 1.426 178.252 176.870 -0.073 0.000 1.080 365 L CA 1.953 56.710 54.840 -0.138 0.000 0.754 365 L CB -0.673 41.368 42.059 -0.031 0.000 0.893 365 L HN 0.702 nan 8.230 nan 0.000 0.433 366 D N -0.138 120.269 120.400 0.013 0.000 2.158 366 D HA -0.211 4.428 4.640 -0.000 0.000 0.197 366 D C 2.029 178.326 176.300 -0.005 0.000 0.995 366 D CA 1.559 55.556 54.000 -0.005 0.000 0.846 366 D CB -0.036 40.761 40.800 -0.005 0.000 0.941 366 D HN 0.572 nan 8.370 nan 0.000 0.456 367 E N -0.392 119.819 120.200 0.018 0.000 2.358 367 E HA 0.039 4.389 4.350 -0.000 0.000 0.195 367 E C 0.712 177.316 176.600 0.007 0.000 1.010 367 E CA 0.027 56.439 56.400 0.020 0.000 0.856 367 E CB 0.302 30.037 29.700 0.058 0.000 0.795 367 E HN 0.278 nan 8.360 nan 0.000 0.504 368 L N 0.000 121.216 121.223 -0.012 0.000 2.949 368 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 368 L CA 0.000 54.857 54.840 0.028 0.000 0.813 368 L CB 0.000 42.096 42.059 0.061 0.000 0.961 368 L HN 0.000 nan 8.230 nan 0.000 0.502