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 2ywc_1_A DATA FIRST_RESID 2 DATA SEQUENCE VLVLDFGSQY TRLIARRLRE LRAFSLILPG DAPLEEVLKH RPQALILSGG DATA SEQUENCE PRSVFDPDAP RPDPRLFSSG LPLLGICYGX QLLAQELGGR VERAGRAEYG DATA SEQUENCE KALLTRHEGP LFRGLEGEVQ VWXSHQDAVT APPPGWRVVA ETEENPVAAI DATA SEQUENCE ASPDGRAYGV QFHPEVAHTP KGXQILENFL ELAGVKRDWT PEHVLEELLR DATA SEQUENCE EVRERAGKDR VLLAVSGGVD SSTLALLLAK AGVDHLAVFV DHGLLRLGER DATA SEQUENCE EEVEGALRAL GVNLLVVDAK ERFLKALKGV EDPEEKRKII GREFVAAFSQ DATA SEQUENCE VARERGPFRF LAQGTLYPDV IEXXXXXXXX XXXXXXXXGG LPEDLEFELL DATA SEQUENCE EPFRLLFKDE VRELALLLGL PDTLRLRHPF PGPGLAVRVL GEVTEERLEI DATA SEQUENCE LRRADDIFTS LLREWGLYEK VAQALAVLTP VXXXXXXXXX XXXGYVLALR DATA SEQUENCE AVTTEDFXTA DWARLPLEFL DEAARRITRR VPEIGRVVYD LTSKPPATIE DATA SEQUENCE WE 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.050 176.094 -0.073 0.000 1.182 2 V CA 0.000 62.292 62.300 -0.014 0.000 1.235 2 V CB 0.000 31.831 31.823 0.013 0.000 1.184 3 L N 4.961 126.170 121.223 -0.024 0.000 2.276 3 L HA 0.655 4.995 4.340 -0.000 0.000 0.286 3 L C -0.411 176.446 176.870 -0.021 0.000 1.061 3 L CA -0.059 54.750 54.840 -0.052 0.000 0.807 3 L CB 1.710 43.753 42.059 -0.028 0.000 1.177 3 L HN 0.565 nan 8.230 nan 0.000 0.429 4 V N 6.871 126.759 119.914 -0.043 0.000 2.328 4 V HA 0.307 4.427 4.120 -0.000 0.000 0.278 4 V C 0.376 176.456 176.094 -0.024 0.000 1.021 4 V CA -0.588 61.709 62.300 -0.006 0.000 0.838 4 V CB 1.510 33.334 31.823 0.003 0.000 0.999 4 V HN 0.535 nan 8.190 nan 0.000 0.447 5 L N 4.354 125.579 121.223 0.004 0.000 2.278 5 L HA 0.379 4.719 4.340 -0.000 0.000 0.287 5 L C 0.107 176.862 176.870 -0.191 0.000 1.072 5 L CA -0.288 54.487 54.840 -0.109 0.000 0.819 5 L CB 0.915 42.965 42.059 -0.015 0.000 1.176 5 L HN 0.584 nan 8.230 nan 0.000 0.435 6 D N 2.860 123.075 120.400 -0.309 0.000 2.316 6 D HA 0.144 4.783 4.640 -0.000 0.000 0.245 6 D C -0.068 175.951 176.300 -0.469 0.000 1.171 6 D CA 0.024 53.877 54.000 -0.244 0.000 0.856 6 D CB 0.632 41.342 40.800 -0.150 0.000 1.090 6 D HN 0.219 nan 8.370 nan 0.000 0.476 7 F N 1.949 121.885 119.950 -0.024 0.000 2.647 7 F HA 0.341 4.868 4.527 -0.000 0.000 0.300 7 F C 1.867 177.557 175.800 -0.183 0.000 1.106 7 F CA 0.059 57.994 58.000 -0.109 0.000 1.313 7 F CB 0.794 39.723 39.000 -0.118 0.000 1.007 7 F HN 0.653 nan 8.300 nan 0.000 0.536 8 G N -0.349 108.437 108.800 -0.024 0.000 2.218 8 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 8 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 8 G C 0.516 175.396 174.900 -0.033 0.000 0.994 8 G CA 0.071 45.142 45.100 -0.047 0.000 0.637 8 G HN 0.399 nan 8.290 nan 0.000 0.505 9 S N 0.682 116.393 115.700 0.018 0.000 2.558 9 S HA 0.263 4.733 4.470 -0.000 0.000 0.288 9 S C 1.822 176.369 174.600 -0.089 0.000 1.318 9 S CA 1.020 59.228 58.200 0.013 0.000 1.056 9 S CB 0.780 64.077 63.200 0.161 0.000 0.853 9 S HN 0.819 nan 8.310 nan 0.000 0.505 10 Q N 3.001 122.638 119.800 -0.273 0.000 2.488 10 Q HA -0.070 4.270 4.340 -0.000 0.000 0.211 10 Q C -0.024 175.783 176.000 -0.323 0.000 0.967 10 Q CA 1.310 56.910 55.803 -0.339 0.000 0.926 10 Q CB -0.291 28.174 28.738 -0.455 0.000 0.992 10 Q HN 0.914 nan 8.270 nan 0.000 0.506 11 Y N 0.126 120.428 120.300 0.003 0.000 2.555 11 Y HA 0.284 4.834 4.550 -0.000 0.000 0.259 11 Y C 1.849 177.763 175.900 0.023 0.000 1.179 11 Y CA -0.207 57.886 58.100 -0.012 0.000 1.230 11 Y CB 0.249 38.682 38.460 -0.045 0.000 1.146 11 Y HN 0.049 nan 8.280 nan 0.000 0.526 12 T N 0.019 114.656 114.554 0.139 0.000 2.652 12 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 12 T C 2.062 176.821 174.700 0.100 0.000 1.039 12 T CA 1.856 64.022 62.100 0.110 0.000 1.153 12 T CB -0.071 68.832 68.868 0.059 0.000 0.863 12 T HN 0.341 nan 8.240 nan 0.000 0.428 13 R N 0.165 120.723 120.500 0.096 0.000 2.105 13 R HA -0.028 4.312 4.340 -0.000 0.000 0.239 13 R C 2.327 178.653 176.300 0.043 0.000 1.135 13 R CA 0.891 57.071 56.100 0.133 0.000 0.967 13 R CB -0.529 29.859 30.300 0.147 0.000 0.861 13 R HN 0.197 nan 8.270 nan 0.000 0.442 14 L N 1.144 122.385 121.223 0.030 0.000 2.046 14 L HA -0.140 4.199 4.340 -0.000 0.000 0.208 14 L C 1.896 178.743 176.870 -0.038 0.000 1.077 14 L CA 1.618 56.438 54.840 -0.033 0.000 0.747 14 L CB -0.425 41.647 42.059 0.022 0.000 0.896 14 L HN 0.150 nan 8.230 nan 0.000 0.432 15 I N -0.526 120.061 120.570 0.028 0.000 2.163 15 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 15 I C 2.559 178.671 176.117 -0.009 0.000 1.085 15 I CA 1.410 62.723 61.300 0.023 0.000 1.347 15 I CB -0.704 37.333 38.000 0.062 0.000 1.044 15 I HN 0.331 nan 8.210 nan 0.000 0.408 16 A N 0.736 123.563 122.820 0.012 0.000 1.972 16 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 16 A C 2.380 179.930 177.584 -0.058 0.000 1.169 16 A CA 1.547 53.593 52.037 0.015 0.000 0.635 16 A CB -0.538 18.565 19.000 0.172 0.000 0.810 16 A HN 0.365 nan 8.150 nan 0.000 0.446 17 R N -1.136 119.239 120.500 -0.208 0.000 2.073 17 R HA 0.013 4.353 4.340 -0.000 0.000 0.229 17 R C 2.317 178.523 176.300 -0.156 0.000 1.120 17 R CA 0.871 56.754 56.100 -0.362 0.000 0.967 17 R CB -0.244 29.710 30.300 -0.575 0.000 0.862 17 R HN 0.304 nan 8.270 nan 0.000 0.436 18 R N 1.048 121.482 120.500 -0.110 0.000 2.091 18 R HA -0.090 4.250 4.340 -0.000 0.000 0.238 18 R C 2.305 178.592 176.300 -0.022 0.000 1.136 18 R CA 1.170 57.234 56.100 -0.059 0.000 0.959 18 R CB -0.729 29.543 30.300 -0.047 0.000 0.856 18 R HN 0.286 nan 8.270 nan 0.000 0.437 19 L N 0.274 121.483 121.223 -0.024 0.000 2.042 19 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 19 L C 2.647 179.525 176.870 0.014 0.000 1.076 19 L CA 1.502 56.338 54.840 -0.007 0.000 0.749 19 L CB -0.369 41.666 42.059 -0.040 0.000 0.893 19 L HN 0.152 nan 8.230 nan 0.000 0.432 20 R N -0.002 120.502 120.500 0.006 0.000 2.115 20 R HA -0.124 4.216 4.340 -0.000 0.000 0.226 20 R C 1.881 178.310 176.300 0.216 0.000 1.100 20 R CA 0.938 57.120 56.100 0.135 0.000 0.980 20 R CB -0.196 30.202 30.300 0.163 0.000 0.875 20 R HN 0.416 nan 8.270 nan 0.000 0.445 21 E N 0.455 120.716 120.200 0.102 0.000 2.515 21 E HA -0.063 4.287 4.350 -0.000 0.000 0.201 21 E C 0.741 177.384 176.600 0.072 0.000 1.071 21 E CA 0.508 56.953 56.400 0.077 0.000 0.880 21 E CB 0.221 29.931 29.700 0.016 0.000 0.828 21 E HN 0.275 nan 8.360 nan 0.000 0.540 22 L N 0.518 121.792 121.223 0.085 0.000 3.066 22 L HA 0.244 4.584 4.340 -0.000 0.000 0.265 22 L C -0.259 176.671 176.870 0.100 0.000 1.232 22 L CA -0.373 54.508 54.840 0.069 0.000 1.031 22 L CB 0.376 42.463 42.059 0.047 0.000 1.379 22 L HN -0.003 nan 8.230 nan 0.000 0.563 23 R N -0.278 120.320 120.500 0.163 0.000 3.405 23 R HA -0.184 4.156 4.340 -0.000 0.000 0.258 23 R C -0.054 176.407 176.300 0.269 0.000 1.030 23 R CA 0.782 57.028 56.100 0.243 0.000 0.691 23 R CB -2.255 28.132 30.300 0.144 0.000 1.093 23 R HN 0.335 nan 8.270 nan 0.000 0.448 24 A N 0.710 123.662 122.820 0.221 0.000 2.356 24 A HA 0.619 4.939 4.320 -0.000 0.000 0.310 24 A C -0.370 177.219 177.584 0.008 0.000 1.075 24 A CA -0.750 51.375 52.037 0.146 0.000 0.746 24 A CB 0.943 19.983 19.000 0.067 0.000 1.221 24 A HN 0.217 nan 8.150 nan 0.000 0.443 25 F N 3.347 123.172 119.950 -0.209 0.000 2.529 25 F HA 0.456 4.983 4.527 -0.000 0.000 0.365 25 F C 0.755 176.305 175.800 -0.416 0.000 1.102 25 F CA 0.325 57.926 58.000 -0.666 0.000 1.271 25 F CB 0.886 39.587 39.000 -0.497 0.000 1.120 25 F HN 0.593 nan 8.300 nan 0.000 0.579 26 S N 6.739 121.731 115.700 -1.180 0.000 2.526 26 S HA 0.793 5.263 4.470 -0.000 0.000 0.293 26 S C -1.527 172.458 174.600 -1.026 0.000 1.092 26 S CA -0.856 56.873 58.200 -0.784 0.000 0.980 26 S CB 1.940 64.915 63.200 -0.375 0.000 1.048 26 S HN 0.722 nan 8.310 nan 0.000 0.483 27 L N 2.472 123.320 121.223 -0.626 0.000 2.401 27 L HA 0.680 5.020 4.340 -0.000 0.000 0.266 27 L C -1.173 175.609 176.870 -0.147 0.000 0.991 27 L CA -0.747 53.825 54.840 -0.447 0.000 0.818 27 L CB 1.859 43.663 42.059 -0.425 0.000 1.321 27 L HN 0.876 nan 8.230 nan 0.000 0.413 28 I N 4.056 124.653 120.570 0.045 0.000 2.498 28 I HA 0.528 4.698 4.170 -0.000 0.000 0.301 28 I C -1.106 174.986 176.117 -0.042 0.000 0.984 28 I CA -0.769 60.541 61.300 0.016 0.000 1.204 28 I CB 1.793 39.826 38.000 0.054 0.000 1.362 28 I HN 0.359 nan 8.210 nan 0.000 0.471 29 L N 7.920 129.092 121.223 -0.085 0.000 2.513 29 L HA 0.575 4.915 4.340 -0.000 0.000 0.261 29 L C -2.691 174.087 176.870 -0.154 0.000 0.945 29 L CA -1.811 52.964 54.840 -0.108 0.000 0.848 29 L CB 2.182 44.174 42.059 -0.112 0.000 1.334 29 L HN 0.208 nan 8.230 nan 0.000 0.407 30 P HA 0.139 nan 4.420 nan 0.000 0.265 30 P C 0.586 177.691 177.300 -0.326 0.000 1.187 30 P CA 0.469 63.441 63.100 -0.214 0.000 0.766 30 P CB 0.733 32.347 31.700 -0.143 0.000 0.820 31 G N 3.067 111.508 108.800 -0.598 0.000 2.491 31 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 31 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 31 G C 0.003 174.673 174.900 -0.383 0.000 1.180 31 G CA 0.690 45.158 45.100 -1.052 0.000 0.774 31 G HN 0.636 nan 8.290 nan 0.000 0.562 32 D N 0.742 121.032 120.400 -0.183 0.000 2.558 32 D HA 0.538 5.178 4.640 -0.000 0.000 0.221 32 D C -0.041 176.232 176.300 -0.044 0.000 1.143 32 D CA -0.156 53.828 54.000 -0.027 0.000 1.010 32 D CB 0.516 41.328 40.800 0.020 0.000 1.068 32 D HN 0.310 nan 8.370 nan 0.000 0.511 33 A N 2.438 125.229 122.820 -0.049 0.000 2.359 33 A HA 0.618 4.938 4.320 -0.000 0.000 0.303 33 A C -2.681 174.893 177.584 -0.016 0.000 1.066 33 A CA -1.827 50.188 52.037 -0.036 0.000 0.730 33 A CB 1.043 20.011 19.000 -0.054 0.000 1.211 33 A HN 0.180 nan 8.150 nan 0.000 0.439 34 P HA -0.091 nan 4.420 nan 0.000 0.265 34 P C 1.087 178.389 177.300 0.003 0.000 1.167 34 P CA 0.014 63.116 63.100 0.003 0.000 0.760 34 P CB 0.465 32.171 31.700 0.010 0.000 0.783 35 L N 4.256 125.478 121.223 -0.001 0.000 2.079 35 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 35 L C 1.752 178.631 176.870 0.015 0.000 1.081 35 L CA 2.059 56.898 54.840 -0.002 0.000 0.752 35 L CB -0.977 41.078 42.059 -0.006 0.000 0.896 35 L HN 0.296 nan 8.230 nan 0.000 0.433 36 E N -0.237 119.974 120.200 0.018 0.000 2.118 36 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 36 E C 2.085 178.709 176.600 0.039 0.000 0.992 36 E CA 1.456 57.870 56.400 0.023 0.000 0.804 36 E CB -0.222 29.489 29.700 0.018 0.000 0.741 36 E HN 0.673 nan 8.360 nan 0.000 0.458 37 E N 0.218 120.443 120.200 0.043 0.000 2.015 37 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 37 E C 2.136 178.804 176.600 0.114 0.000 0.991 37 E CA 1.488 57.932 56.400 0.073 0.000 0.802 37 E CB -0.049 29.681 29.700 0.050 0.000 0.759 37 E HN 0.217 nan 8.360 nan 0.000 0.447 38 V N 0.451 120.403 119.914 0.063 0.000 2.688 38 V HA -0.182 3.938 4.120 -0.000 0.000 0.256 38 V C 1.822 177.973 176.094 0.096 0.000 1.084 38 V CA 1.530 63.864 62.300 0.057 0.000 1.103 38 V CB -0.360 31.468 31.823 0.009 0.000 0.688 38 V HN 0.278 nan 8.190 nan 0.000 0.480 39 L N 0.276 121.551 121.223 0.087 0.000 2.354 39 L HA 0.076 4.415 4.340 -0.000 0.000 0.212 39 L C 2.649 179.571 176.870 0.087 0.000 1.091 39 L CA 1.098 55.986 54.840 0.079 0.000 0.828 39 L CB -0.546 41.541 42.059 0.046 0.000 0.973 39 L HN 0.412 nan 8.230 nan 0.000 0.461 40 K N -0.259 120.189 120.400 0.079 0.000 2.362 40 K HA -0.213 4.107 4.320 -0.000 0.000 0.202 40 K C 1.032 177.563 176.600 -0.115 0.000 1.045 40 K CA 1.682 57.953 56.287 -0.026 0.000 0.936 40 K CB -0.391 32.059 32.500 -0.085 0.000 0.747 40 K HN 0.389 nan 8.250 nan 0.000 0.467 41 H N 0.216 119.307 119.070 0.035 0.000 2.551 41 H HA 0.298 4.854 4.556 -0.000 0.000 0.271 41 H C -0.378 174.981 175.328 0.051 0.000 0.984 41 H CA -0.310 55.767 56.048 0.049 0.000 1.164 41 H CB 0.590 30.387 29.762 0.057 0.000 1.437 41 H HN 0.060 nan 8.280 nan 0.000 0.550 42 R N 0.301 120.876 120.500 0.126 0.000 3.152 42 R HA -0.097 4.243 4.340 -0.000 0.000 0.252 42 R C -2.669 173.689 176.300 0.098 0.000 0.930 42 R CA -0.109 56.045 56.100 0.090 0.000 0.642 42 R CB -2.345 27.998 30.300 0.070 0.000 1.205 42 R HN 0.395 nan 8.270 nan 0.000 0.452 43 P HA 0.082 nan 4.420 nan 0.000 0.267 43 P C 0.868 178.206 177.300 0.064 0.000 1.205 43 P CA -0.149 62.997 63.100 0.077 0.000 0.765 43 P CB 0.627 32.367 31.700 0.067 0.000 0.828 44 Q N 1.124 120.958 119.800 0.058 0.000 2.389 44 Q HA 0.207 4.547 4.340 -0.000 0.000 0.204 44 Q C 0.322 176.344 176.000 0.036 0.000 0.944 44 Q CA 0.594 56.420 55.803 0.038 0.000 0.908 44 Q CB 0.386 29.141 28.738 0.028 0.000 1.002 44 Q HN 0.609 nan 8.270 nan 0.000 0.493 45 A N -0.117 122.744 122.820 0.069 0.000 2.586 45 A HA 0.655 4.974 4.320 -0.000 0.000 0.291 45 A C -1.805 175.876 177.584 0.162 0.000 1.062 45 A CA -0.676 51.438 52.037 0.129 0.000 0.666 45 A CB 0.814 19.892 19.000 0.130 0.000 1.281 45 A HN 0.119 nan 8.150 nan 0.000 0.421 46 L N 0.530 121.891 121.223 0.229 0.000 2.388 46 L HA 0.700 5.040 4.340 -0.000 0.000 0.264 46 L C -1.043 175.920 176.870 0.155 0.000 0.998 46 L CA -0.583 54.353 54.840 0.160 0.000 0.817 46 L CB 2.141 44.276 42.059 0.126 0.000 1.338 46 L HN 0.619 nan 8.230 nan 0.000 0.414 47 I N 3.080 123.705 120.570 0.090 0.000 2.512 47 I HA 0.267 4.437 4.170 -0.000 0.000 0.287 47 I C -1.249 174.933 176.117 0.108 0.000 1.069 47 I CA -0.668 60.651 61.300 0.030 0.000 1.056 47 I CB 2.385 40.380 38.000 -0.008 0.000 1.229 47 I HN 0.258 nan 8.210 nan 0.000 0.429 48 L N 5.954 127.261 121.223 0.139 0.000 2.255 48 L HA 0.289 4.629 4.340 -0.000 0.000 0.289 48 L C 0.836 177.861 176.870 0.258 0.000 1.046 48 L CA 0.161 55.181 54.840 0.300 0.000 0.816 48 L CB 1.042 43.240 42.059 0.231 0.000 1.197 48 L HN 0.689 nan 8.230 nan 0.000 0.427 49 S N 1.758 117.680 115.700 0.369 0.000 2.626 49 S HA 0.661 5.131 4.470 -0.000 0.000 0.257 49 S C 0.614 175.416 174.600 0.337 0.000 1.288 49 S CA -0.166 58.214 58.200 0.300 0.000 0.980 49 S CB 0.778 64.135 63.200 0.262 0.000 0.975 49 S HN 0.644 nan 8.310 nan 0.000 0.577 50 G N -1.158 107.838 108.800 0.327 0.000 2.510 50 G HA2 0.644 4.604 3.960 -0.000 0.000 0.280 50 G HA3 0.644 4.604 3.960 -0.000 0.000 0.280 50 G C 0.051 175.079 174.900 0.212 0.000 1.386 50 G CA -0.620 44.675 45.100 0.326 0.000 1.047 50 G HN 1.360 nan 8.290 nan 0.000 0.527 51 G N -1.974 106.885 108.800 0.099 0.000 2.667 51 G HA2 0.542 4.502 3.960 -0.000 0.000 0.294 51 G HA3 0.542 4.502 3.960 -0.000 0.000 0.294 51 G C -2.096 172.763 174.900 -0.069 0.000 1.467 51 G CA -0.281 44.758 45.100 -0.102 0.000 0.852 51 G HN 0.374 nan 8.290 nan 0.000 0.521 52 P HA 0.033 nan 4.420 nan 0.000 0.237 52 P C 0.392 177.665 177.300 -0.044 0.000 1.178 52 P CA 0.343 63.413 63.100 -0.050 0.000 0.766 52 P CB 0.521 32.191 31.700 -0.050 0.000 0.876 53 R N -0.258 120.197 120.500 -0.075 0.000 2.732 53 R HA 0.478 4.818 4.340 -0.000 0.000 0.278 53 R C 0.347 176.711 176.300 0.107 0.000 0.976 53 R CA -0.631 55.467 56.100 -0.004 0.000 0.963 53 R CB 1.242 31.533 30.300 -0.014 0.000 1.150 53 R HN -0.103 nan 8.270 nan 0.000 0.478 54 S N 0.268 116.052 115.700 0.140 0.000 2.585 54 S HA 0.016 4.486 4.470 -0.000 0.000 0.273 54 S C 1.400 176.100 174.600 0.167 0.000 1.339 54 S CA -0.717 57.577 58.200 0.157 0.000 1.028 54 S CB 0.931 64.239 63.200 0.180 0.000 0.906 54 S HN 0.496 nan 8.310 nan 0.000 0.528 55 V N 2.439 122.284 119.914 -0.115 0.000 3.305 55 V HA 0.100 4.220 4.120 -0.000 0.000 0.269 55 V C 1.248 177.159 176.094 -0.304 0.000 1.157 55 V CA 1.125 63.231 62.300 -0.323 0.000 1.157 55 V CB -1.410 29.971 31.823 -0.738 0.000 0.772 55 V HN 0.787 nan 8.190 nan 0.000 0.498 56 F N 0.141 120.106 119.950 0.026 0.000 2.619 56 F HA 0.329 4.856 4.527 -0.000 0.000 0.293 56 F C 1.313 177.133 175.800 0.033 0.000 1.119 56 F CA -0.479 57.529 58.000 0.012 0.000 1.445 56 F CB -0.161 38.838 39.000 -0.001 0.000 1.119 56 F HN 0.149 nan 8.300 nan 0.000 0.573 57 D N 3.269 123.793 120.400 0.206 0.000 2.382 57 D HA 0.007 4.647 4.640 -0.000 0.000 0.259 57 D C -1.455 174.916 176.300 0.118 0.000 1.224 57 D CA -1.361 52.723 54.000 0.141 0.000 0.894 57 D CB 1.305 42.174 40.800 0.116 0.000 1.127 57 D HN 0.047 nan 8.370 nan 0.000 0.487 58 P HA -0.150 nan 4.420 nan 0.000 0.219 58 P C 0.415 177.759 177.300 0.074 0.000 1.146 58 P CA 1.008 64.156 63.100 0.080 0.000 0.808 58 P CB 0.448 32.186 31.700 0.063 0.000 0.779 59 D N 0.328 120.767 120.400 0.065 0.000 2.224 59 D HA 0.055 4.695 4.640 -0.000 0.000 0.205 59 D C 1.050 177.387 176.300 0.062 0.000 0.965 59 D CA 0.500 54.531 54.000 0.052 0.000 0.852 59 D CB -0.611 40.211 40.800 0.036 0.000 0.947 59 D HN 0.184 nan 8.370 nan 0.000 0.494 60 A N 1.912 124.782 122.820 0.083 0.000 2.540 60 A HA 0.210 4.530 4.320 -0.000 0.000 0.239 60 A C -1.956 175.723 177.584 0.158 0.000 1.061 60 A CA -0.885 51.211 52.037 0.098 0.000 0.758 60 A CB -0.154 18.954 19.000 0.180 0.000 0.991 60 A HN 0.032 nan 8.150 nan 0.000 0.502 61 P HA 0.208 nan 4.420 nan 0.000 0.269 61 P C -0.840 176.710 177.300 0.416 0.000 1.209 61 P CA 0.065 63.315 63.100 0.251 0.000 0.776 61 P CB 0.589 32.425 31.700 0.227 0.000 0.876 62 R N 2.695 123.391 120.500 0.327 0.000 2.686 62 R HA 0.539 4.879 4.340 -0.000 0.000 0.286 62 R C -2.173 174.320 176.300 0.321 0.000 0.969 62 R CA -2.069 54.213 56.100 0.305 0.000 0.898 62 R CB 1.720 32.122 30.300 0.170 0.000 1.183 62 R HN 0.442 nan 8.270 nan 0.000 0.456 63 P HA 0.058 nan 4.420 nan 0.000 0.282 63 P C -0.684 176.655 177.300 0.065 0.000 1.287 63 P CA -0.436 62.794 63.100 0.216 0.000 0.792 63 P CB 0.709 32.516 31.700 0.177 0.000 1.163 64 D N 0.319 120.709 120.400 -0.018 0.000 2.358 64 D HA 0.071 4.711 4.640 -0.000 0.000 0.258 64 D C -1.472 174.785 176.300 -0.071 0.000 1.223 64 D CA -1.771 52.212 54.000 -0.029 0.000 0.886 64 D CB 0.573 41.349 40.800 -0.040 0.000 1.120 64 D HN 0.026 nan 8.370 nan 0.000 0.482 65 P HA -0.197 nan 4.420 nan 0.000 0.217 65 P C 1.143 178.470 177.300 0.046 0.000 1.158 65 P CA 1.461 64.607 63.100 0.077 0.000 0.887 65 P CB 0.178 31.928 31.700 0.084 0.000 0.792 66 R N -1.310 119.196 120.500 0.009 0.000 2.159 66 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 66 R C 2.175 178.452 176.300 -0.039 0.000 1.131 66 R CA 0.771 56.877 56.100 0.009 0.000 0.982 66 R CB -1.225 29.079 30.300 0.006 0.000 0.868 66 R HN 0.178 nan 8.270 nan 0.000 0.453 67 L N 0.580 121.704 121.223 -0.165 0.000 2.010 67 L HA -0.217 4.123 4.340 -0.000 0.000 0.219 67 L C 1.541 178.276 176.870 -0.225 0.000 1.077 67 L CA 1.859 56.532 54.840 -0.278 0.000 0.773 67 L CB -0.486 41.251 42.059 -0.537 0.000 0.892 67 L HN 0.036 nan 8.230 nan 0.000 0.436 68 F N -0.888 119.098 119.950 0.059 0.000 2.722 68 F HA 0.022 4.549 4.527 -0.000 0.000 0.298 68 F C 1.638 177.476 175.800 0.064 0.000 1.175 68 F CA 0.562 58.600 58.000 0.064 0.000 1.462 68 F CB -0.816 38.209 39.000 0.041 0.000 1.111 68 F HN 0.046 nan 8.300 nan 0.000 0.592 69 S N -1.044 114.750 115.700 0.157 0.000 2.499 69 S HA 0.114 4.583 4.470 -0.000 0.000 0.238 69 S C 1.189 175.834 174.600 0.074 0.000 1.205 69 S CA 0.155 58.425 58.200 0.116 0.000 1.203 69 S CB 0.038 63.295 63.200 0.096 0.000 0.954 69 S HN 0.298 nan 8.310 nan 0.000 0.484 70 S N -0.009 115.735 115.700 0.073 0.000 2.549 70 S HA 0.443 4.913 4.470 -0.000 0.000 0.225 70 S C 1.567 176.201 174.600 0.057 0.000 1.039 70 S CA 0.457 58.688 58.200 0.052 0.000 0.942 70 S CB 0.215 63.438 63.200 0.038 0.000 0.881 70 S HN 0.857 nan 8.310 nan 0.000 0.503 71 G N 1.523 110.366 108.800 0.072 0.000 2.205 71 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.261 71 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.261 71 G C -0.006 174.930 174.900 0.061 0.000 0.980 71 G CA 0.319 45.455 45.100 0.060 0.000 0.632 71 G HN 0.556 nan 8.290 nan 0.000 0.533 72 L N 1.905 123.172 121.223 0.073 0.000 2.455 72 L HA 0.319 4.659 4.340 -0.000 0.000 0.272 72 L C -1.599 175.340 176.870 0.115 0.000 1.174 72 L CA -1.732 53.156 54.840 0.080 0.000 0.869 72 L CB 0.440 42.548 42.059 0.081 0.000 1.130 72 L HN -0.063 nan 8.230 nan 0.000 0.474 73 P HA 0.092 nan 4.420 nan 0.000 0.266 73 P C -0.952 176.552 177.300 0.340 0.000 1.195 73 P CA 0.093 63.292 63.100 0.165 0.000 0.768 73 P CB 0.538 32.257 31.700 0.031 0.000 0.838 74 L N 2.911 124.402 121.223 0.447 0.000 2.466 74 L HA 0.716 5.056 4.340 -0.000 0.000 0.258 74 L C -2.175 174.842 176.870 0.245 0.000 0.973 74 L CA -1.214 53.869 54.840 0.406 0.000 0.826 74 L CB 2.220 44.439 42.059 0.267 0.000 1.372 74 L HN 0.204 nan 8.230 nan 0.000 0.409 75 L N 2.569 123.688 121.223 -0.173 0.000 2.356 75 L HA 0.887 5.227 4.340 -0.000 0.000 0.277 75 L C -0.317 176.458 176.870 -0.159 0.000 0.996 75 L CA 0.162 54.763 54.840 -0.400 0.000 0.822 75 L CB 1.750 43.104 42.059 -1.175 0.000 1.256 75 L HN 0.794 nan 8.230 nan 0.000 0.413 76 G N 5.815 114.572 108.800 -0.071 0.000 2.368 76 G HA2 0.620 4.580 3.960 -0.000 0.000 0.320 76 G HA3 0.620 4.580 3.960 -0.000 0.000 0.320 76 G C -0.960 173.869 174.900 -0.119 0.000 1.158 76 G CA -0.439 44.633 45.100 -0.046 0.000 0.912 76 G HN 0.603 nan 8.290 nan 0.000 0.456 77 I N 2.447 122.957 120.570 -0.100 0.000 2.355 77 I HA 0.201 4.371 4.170 -0.000 0.000 0.288 77 I C 0.893 176.926 176.117 -0.140 0.000 0.999 77 I CA -0.450 60.748 61.300 -0.169 0.000 1.163 77 I CB 0.941 38.872 38.000 -0.116 0.000 1.316 77 I HN 0.698 nan 8.210 nan 0.000 0.454 78 C N 4.204 123.377 119.300 -0.211 0.000 5.873 78 C HA -0.386 4.074 4.460 -0.000 0.000 0.327 78 C C 2.091 177.052 174.990 -0.048 0.000 2.428 78 C CA 1.419 60.361 59.018 -0.126 0.000 2.193 78 C CB -1.767 25.901 27.740 -0.120 0.000 3.236 78 C HN 0.858 nan 8.230 nan 0.000 0.269 79 Y N 3.219 123.460 120.300 -0.099 0.000 2.165 79 Y HA 0.113 4.663 4.550 -0.000 0.000 0.286 79 Y C 1.743 177.502 175.900 -0.235 0.000 1.155 79 Y CA 2.341 60.351 58.100 -0.150 0.000 1.164 79 Y CB -1.017 37.380 38.460 -0.105 0.000 0.978 79 Y HN 0.786 nan 8.280 nan 0.000 0.513 83 L N 0.988 121.883 121.223 -0.546 0.000 2.017 83 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 83 L C 2.214 178.785 176.870 -0.500 0.000 1.073 83 L CA 1.310 55.849 54.840 -0.503 0.000 0.745 83 L CB -0.301 41.493 42.059 -0.441 0.000 0.894 83 L HN 0.213 nan 8.230 nan 0.000 0.432 84 L N -0.089 120.844 121.223 -0.484 0.000 2.079 84 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 84 L C 2.536 178.988 176.870 -0.696 0.000 1.081 84 L CA 1.985 56.418 54.840 -0.677 0.000 0.752 84 L CB -0.627 41.245 42.059 -0.311 0.000 0.896 84 L HN 0.188 nan 8.230 nan 0.000 0.433 85 A N -0.599 121.902 122.820 -0.532 0.000 1.840 85 A HA -0.230 4.090 4.320 -0.000 0.000 0.214 85 A C 2.131 179.449 177.584 -0.443 0.000 1.198 85 A CA 1.429 53.164 52.037 -0.504 0.000 0.608 85 A CB -0.719 18.066 19.000 -0.359 0.000 0.839 85 A HN 0.674 nan 8.150 nan 0.000 0.443 86 Q N -0.731 118.844 119.800 -0.375 0.000 2.124 86 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 86 Q C 1.261 177.085 176.000 -0.293 0.000 0.977 86 Q CA 1.411 57.040 55.803 -0.289 0.000 0.850 86 Q CB -0.424 28.164 28.738 -0.249 0.000 0.901 86 Q HN 0.619 nan 8.270 nan 0.000 0.429 87 E N 0.455 120.421 120.200 -0.389 0.000 2.516 87 E HA 0.008 4.357 4.350 -0.000 0.000 0.199 87 E C 0.992 177.362 176.600 -0.383 0.000 1.069 87 E CA 0.579 56.759 56.400 -0.366 0.000 0.876 87 E CB 0.299 29.679 29.700 -0.534 0.000 0.843 87 E HN 0.485 nan 8.360 nan 0.000 0.530 88 L N -0.963 119.999 121.223 -0.434 0.000 3.333 88 L HA 0.258 4.598 4.340 -0.000 0.000 0.299 88 L C 0.909 177.588 176.870 -0.319 0.000 1.256 88 L CA 0.121 54.734 54.840 -0.377 0.000 1.037 88 L CB 1.025 42.775 42.059 -0.515 0.000 1.423 88 L HN 0.130 nan 8.230 nan 0.000 0.605 89 G N -0.143 108.498 108.800 -0.264 0.000 2.179 89 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.220 89 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.220 89 G C 0.464 175.234 174.900 -0.215 0.000 0.990 89 G CA -0.233 44.746 45.100 -0.202 0.000 0.646 89 G HN 0.485 nan 8.290 nan 0.000 0.517 90 G N -0.831 107.799 108.800 -0.283 0.000 2.537 90 G HA2 0.633 4.593 3.960 -0.000 0.000 0.297 90 G HA3 0.633 4.593 3.960 -0.000 0.000 0.297 90 G C -0.201 174.595 174.900 -0.173 0.000 1.310 90 G CA -0.350 44.601 45.100 -0.248 0.000 1.027 90 G HN 0.499 nan 8.290 nan 0.000 0.505 91 R N -0.532 119.890 120.500 -0.130 0.000 2.439 91 R HA 0.530 4.870 4.340 -0.000 0.000 0.310 91 R C -1.459 174.807 176.300 -0.057 0.000 0.955 91 R CA -0.391 55.663 56.100 -0.077 0.000 0.853 91 R CB 1.736 32.008 30.300 -0.047 0.000 1.171 91 R HN 0.294 nan 8.270 nan 0.000 0.449 92 V N 3.718 123.615 119.914 -0.028 0.000 2.581 92 V HA 0.474 4.594 4.120 -0.000 0.000 0.303 92 V C -0.362 175.870 176.094 0.231 0.000 1.041 92 V CA -0.680 61.624 62.300 0.007 0.000 0.907 92 V CB 1.943 33.673 31.823 -0.155 0.000 0.994 92 V HN 0.823 nan 8.190 nan 0.000 0.442 93 E N 2.141 122.481 120.200 0.233 0.000 2.367 93 E HA 0.529 4.879 4.350 -0.000 0.000 0.273 93 E C -0.886 175.888 176.600 0.291 0.000 0.903 93 E CA -1.045 55.503 56.400 0.247 0.000 0.764 93 E CB 2.555 32.295 29.700 0.068 0.000 1.252 93 E HN 0.499 nan 8.360 nan 0.000 0.446 94 R N 0.641 121.232 120.500 0.153 0.000 2.694 94 R HA 0.577 4.917 4.340 -0.000 0.000 0.268 94 R C -0.590 175.752 176.300 0.070 0.000 1.061 94 R CA 0.238 56.428 56.100 0.151 0.000 1.133 94 R CB 0.737 31.011 30.300 -0.042 0.000 1.020 94 R HN 0.555 nan 8.270 nan 0.000 0.475 95 A N 0.684 123.545 122.820 0.069 0.000 2.567 95 A HA 0.539 4.859 4.320 -0.000 0.000 0.291 95 A C -0.143 177.454 177.584 0.022 0.000 1.048 95 A CA -0.314 51.740 52.037 0.027 0.000 0.661 95 A CB 0.519 19.533 19.000 0.024 0.000 1.288 95 A HN 0.905 nan 8.150 nan 0.000 0.424 96 G N 0.245 109.039 108.800 -0.011 0.000 2.574 96 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.295 96 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.295 96 G C -0.035 174.866 174.900 0.002 0.000 1.300 96 G CA 0.911 45.997 45.100 -0.023 0.000 0.944 96 G HN 1.330 nan 8.290 nan 0.000 0.551 97 R N -0.980 119.529 120.500 0.015 0.000 2.774 97 R HA 0.636 4.976 4.340 -0.000 0.000 0.272 97 R C -0.007 176.286 176.300 -0.012 0.000 1.000 97 R CA -0.463 55.639 56.100 0.005 0.000 0.906 97 R CB 1.807 32.104 30.300 -0.005 0.000 1.227 97 R HN 1.191 nan 8.270 nan 0.000 0.468 98 A N 2.333 125.128 122.820 -0.043 0.000 2.752 98 A HA 0.115 4.435 4.320 -0.000 0.000 0.292 98 A C -0.119 177.339 177.584 -0.210 0.000 1.597 98 A CA 0.531 52.502 52.037 -0.111 0.000 1.241 98 A CB -0.762 18.188 19.000 -0.084 0.000 1.061 98 A HN 0.740 nan 8.150 nan 0.000 0.576 99 E N 0.809 120.823 120.200 -0.310 0.000 2.429 99 E HA 0.606 4.956 4.350 -0.000 0.000 0.280 99 E C -1.588 174.594 176.600 -0.697 0.000 1.068 99 E CA -0.893 55.244 56.400 -0.439 0.000 0.837 99 E CB 0.663 30.276 29.700 -0.145 0.000 1.357 99 E HN 0.292 nan 8.360 nan 0.000 0.455 100 Y N -0.143 119.886 120.300 -0.453 0.000 2.679 100 Y HA 0.865 5.414 4.550 -0.000 0.000 0.331 100 Y C 0.738 176.019 175.900 -1.032 0.000 1.183 100 Y CA 0.019 57.521 58.100 -0.997 0.000 1.290 100 Y CB 1.922 39.409 38.460 -1.622 0.000 1.489 100 Y HN 0.844 nan 8.280 nan 0.000 0.583 101 G N 0.042 108.221 108.800 -1.034 0.000 2.402 101 G HA2 0.312 4.272 3.960 -0.000 0.000 0.301 101 G HA3 0.312 4.272 3.960 -0.000 0.000 0.301 101 G C -2.037 172.779 174.900 -0.140 0.000 1.615 101 G CA -1.297 43.559 45.100 -0.408 0.000 0.889 101 G HN 0.343 nan 8.290 nan 0.000 0.647 102 K N -0.068 120.410 120.400 0.130 0.000 2.185 102 K HA 0.729 5.049 4.320 -0.000 0.000 0.271 102 K C 0.092 176.761 176.600 0.114 0.000 1.013 102 K CA 0.066 56.470 56.287 0.195 0.000 0.943 102 K CB 1.745 34.348 32.500 0.172 0.000 0.998 102 K HN 1.022 nan 8.250 nan 0.000 0.468 103 A N 2.644 125.516 122.820 0.088 0.000 2.589 103 A HA 0.484 4.804 4.320 -0.000 0.000 0.296 103 A C -1.479 176.105 177.584 0.001 0.000 1.062 103 A CA -0.837 51.232 52.037 0.053 0.000 0.686 103 A CB 0.940 19.985 19.000 0.076 0.000 1.282 103 A HN 0.580 nan 8.150 nan 0.000 0.404 104 L N 1.765 122.984 121.223 -0.007 0.000 2.307 104 L HA 0.443 4.783 4.340 -0.000 0.000 0.282 104 L C -0.420 176.423 176.870 -0.044 0.000 1.051 104 L CA -0.553 54.264 54.840 -0.038 0.000 0.804 104 L CB 1.400 43.449 42.059 -0.017 0.000 1.197 104 L HN 0.615 nan 8.230 nan 0.000 0.431 105 L N 2.935 124.104 121.223 -0.090 0.000 2.369 105 L HA 0.096 4.436 4.340 -0.000 0.000 0.279 105 L C 1.401 178.289 176.870 0.030 0.000 1.108 105 L CA -0.176 54.627 54.840 -0.061 0.000 0.852 105 L CB 1.012 42.979 42.059 -0.155 0.000 1.169 105 L HN 0.779 nan 8.230 nan 0.000 0.452 106 T N 0.230 114.793 114.554 0.015 0.000 3.085 106 T HA -0.025 4.325 4.350 -0.000 0.000 0.263 106 T C 0.782 175.473 174.700 -0.015 0.000 1.127 106 T CA 0.276 62.383 62.100 0.012 0.000 1.103 106 T CB 0.078 68.945 68.868 -0.001 0.000 0.921 106 T HN 0.549 nan 8.240 nan 0.000 0.510 107 R N 1.376 121.859 120.500 -0.028 0.000 2.515 107 R HA 0.314 4.654 4.340 -0.000 0.000 0.278 107 R C -1.812 174.371 176.300 -0.195 0.000 1.107 107 R CA -0.754 55.257 56.100 -0.149 0.000 0.945 107 R CB 0.992 31.229 30.300 -0.105 0.000 1.219 107 R HN 0.567 nan 8.270 nan 0.000 0.434 108 H N 2.839 121.720 119.070 -0.315 0.000 3.240 108 H HA 0.348 4.904 4.556 -0.000 0.000 0.326 108 H C -1.481 173.671 175.328 -0.294 0.000 1.015 108 H CA -0.879 54.762 56.048 -0.678 0.000 1.504 108 H CB 1.336 30.572 29.762 -0.878 0.000 1.754 108 H HN 0.789 nan 8.280 nan 0.000 0.505 109 E N 2.377 122.544 120.200 -0.055 0.000 2.416 109 E HA 0.654 5.003 4.350 -0.000 0.000 0.273 109 E C -0.228 176.566 176.600 0.323 0.000 0.935 109 E CA -1.204 55.275 56.400 0.132 0.000 0.784 109 E CB 3.030 32.742 29.700 0.019 0.000 1.301 109 E HN 0.841 nan 8.360 nan 0.000 0.454 110 G N 1.168 110.103 108.800 0.225 0.000 2.655 110 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.680 110 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.680 110 G C -2.018 172.985 174.900 0.172 0.000 1.302 110 G CA -0.348 44.871 45.100 0.199 0.000 0.872 110 G HN 0.480 nan 8.290 nan 0.000 0.540 111 P HA -0.084 nan 4.420 nan 0.000 0.218 111 P C 2.146 179.404 177.300 -0.071 0.000 1.148 111 P CA 1.428 64.546 63.100 0.031 0.000 0.822 111 P CB 0.133 31.850 31.700 0.029 0.000 0.784 112 L N -1.464 119.648 121.223 -0.185 0.000 2.265 112 L HA -0.023 4.317 4.340 -0.000 0.000 0.215 112 L C 1.589 178.118 176.870 -0.568 0.000 1.117 112 L CA 1.717 56.251 54.840 -0.509 0.000 0.782 112 L CB -0.980 40.620 42.059 -0.766 0.000 0.914 112 L HN -0.202 nan 8.230 nan 0.000 0.441 113 F N -0.397 119.584 119.950 0.050 0.000 2.654 113 F HA 0.268 4.795 4.527 -0.000 0.000 0.303 113 F C 1.019 176.869 175.800 0.084 0.000 1.099 113 F CA -0.730 57.324 58.000 0.090 0.000 1.270 113 F CB -0.273 38.833 39.000 0.175 0.000 1.024 113 F HN -0.019 nan 8.300 nan 0.000 0.548 114 R N -0.302 120.292 120.500 0.156 0.000 2.643 114 R HA 0.512 4.852 4.340 -0.000 0.000 0.270 114 R C 1.170 177.523 176.300 0.088 0.000 1.061 114 R CA 0.617 56.789 56.100 0.119 0.000 1.107 114 R CB 0.157 30.498 30.300 0.069 0.000 0.999 114 R HN 0.298 nan 8.270 nan 0.000 0.460 115 G N 1.104 109.953 108.800 0.082 0.000 2.268 115 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.240 115 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.240 115 G C -0.249 174.687 174.900 0.060 0.000 1.010 115 G CA -0.016 45.117 45.100 0.055 0.000 0.618 115 G HN 0.424 nan 8.290 nan 0.000 0.516 116 L N 2.589 123.870 121.223 0.095 0.000 2.315 116 L HA 0.575 4.915 4.340 -0.000 0.000 0.278 116 L C -0.063 176.857 176.870 0.083 0.000 1.088 116 L CA -0.339 54.536 54.840 0.057 0.000 0.899 116 L CB 1.008 43.104 42.059 0.063 0.000 1.277 116 L HN 0.198 nan 8.230 nan 0.000 0.431 117 E N 1.380 121.619 120.200 0.064 0.000 2.320 117 E HA 0.851 5.201 4.350 -0.000 0.000 0.264 117 E C 0.479 177.112 176.600 0.054 0.000 0.923 117 E CA -0.382 56.086 56.400 0.113 0.000 0.796 117 E CB 1.772 31.521 29.700 0.081 0.000 1.262 117 E HN 0.473 nan 8.360 nan 0.000 0.428 118 G N 1.534 110.380 108.800 0.077 0.000 2.642 118 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.231 118 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.231 118 G C -0.483 174.419 174.900 0.004 0.000 1.338 118 G CA -0.001 45.119 45.100 0.034 0.000 0.883 118 G HN 0.766 nan 8.290 nan 0.000 0.570 119 E N -1.153 119.036 120.200 -0.018 0.000 2.376 119 E HA 0.438 4.787 4.350 -0.000 0.000 0.266 119 E C -0.196 176.339 176.600 -0.109 0.000 1.009 119 E CA -0.539 55.834 56.400 -0.046 0.000 0.902 119 E CB 1.333 31.015 29.700 -0.030 0.000 0.972 119 E HN 0.730 nan 8.360 nan 0.000 0.439 120 V N 4.299 124.108 119.914 -0.174 0.000 2.289 120 V HA 0.105 4.225 4.120 -0.000 0.000 0.272 120 V C -0.134 175.845 176.094 -0.192 0.000 1.026 120 V CA -0.636 61.522 62.300 -0.238 0.000 0.807 120 V CB 0.670 32.219 31.823 -0.457 0.000 1.044 120 V HN 0.779 nan 8.190 nan 0.000 0.443 121 Q N 3.825 123.549 119.800 -0.127 0.000 2.288 121 Q HA 0.638 4.978 4.340 -0.000 0.000 0.254 121 Q C -0.666 175.264 176.000 -0.117 0.000 0.932 121 Q CA -0.336 55.416 55.803 -0.085 0.000 0.902 121 Q CB 1.896 30.621 28.738 -0.022 0.000 1.203 121 Q HN 0.712 nan 8.270 nan 0.000 0.415 122 V N 1.017 120.863 119.914 -0.113 0.000 3.001 122 V HA 0.610 4.730 4.120 -0.000 0.000 0.314 122 V C -0.733 175.475 176.094 0.191 0.000 1.099 122 V CA -1.129 61.099 62.300 -0.120 0.000 0.989 122 V CB 1.640 33.085 31.823 -0.630 0.000 1.040 122 V HN 0.985 nan 8.190 nan 0.000 0.434 126 H N 1.994 121.017 119.070 -0.080 0.000 2.526 126 H HA 0.259 4.815 4.556 -0.000 0.000 0.274 126 H C 0.746 176.047 175.328 -0.045 0.000 0.999 126 H CA -0.046 55.965 56.048 -0.062 0.000 1.157 126 H CB 0.504 30.213 29.762 -0.088 0.000 1.407 126 H HN 0.495 nan 8.280 nan 0.000 0.568 127 Q N 2.254 122.094 119.800 0.066 0.000 2.322 127 Q HA 0.073 4.413 4.340 -0.000 0.000 0.256 127 Q C -0.659 175.375 176.000 0.058 0.000 0.960 127 Q CA -0.672 55.162 55.803 0.052 0.000 0.934 127 Q CB 0.445 29.201 28.738 0.030 0.000 1.200 127 Q HN 0.313 nan 8.270 nan 0.000 0.435 128 D N 1.250 121.696 120.400 0.077 0.000 4.121 128 D HA -0.238 4.402 4.640 -0.000 0.000 0.291 128 D C -1.163 175.168 176.300 0.052 0.000 2.247 128 D CA 1.242 55.298 54.000 0.093 0.000 1.125 128 D CB -0.724 40.133 40.800 0.095 0.000 1.032 128 D HN 0.775 nan 8.370 nan 0.000 1.224 129 A N -0.834 122.010 122.820 0.039 0.000 2.555 129 A HA 0.553 4.872 4.320 -0.000 0.000 0.297 129 A C -0.615 176.964 177.584 -0.007 0.000 1.060 129 A CA -0.168 51.880 52.037 0.018 0.000 0.710 129 A CB 1.481 20.498 19.000 0.028 0.000 1.282 129 A HN 1.159 nan 8.150 nan 0.000 0.399 130 V N 1.224 121.117 119.914 -0.035 0.000 2.461 130 V HA 0.669 4.789 4.120 -0.000 0.000 0.275 130 V C 0.806 176.884 176.094 -0.026 0.000 1.047 130 V CA 0.774 63.039 62.300 -0.057 0.000 0.955 130 V CB 0.510 32.277 31.823 -0.093 0.000 0.988 130 V HN 1.384 nan 8.190 nan 0.000 0.471 131 T N 1.463 116.003 114.554 -0.024 0.000 3.022 131 T HA 0.609 4.959 4.350 -0.000 0.000 0.250 131 T C 0.590 175.278 174.700 -0.021 0.000 1.060 131 T CA 0.488 62.580 62.100 -0.013 0.000 1.013 131 T CB 0.308 69.172 68.868 -0.006 0.000 0.982 131 T HN 1.620 nan 8.240 nan 0.000 0.508 132 A N 2.592 125.386 122.820 -0.044 0.000 2.437 132 A HA 0.741 5.060 4.320 -0.000 0.000 0.293 132 A C -3.102 174.425 177.584 -0.095 0.000 1.038 132 A CA -1.786 50.219 52.037 -0.053 0.000 0.708 132 A CB 1.717 20.684 19.000 -0.055 0.000 1.251 132 A HN 0.109 nan 8.150 nan 0.000 0.409 133 P HA 0.426 nan 4.420 nan 0.000 0.276 133 P C -2.776 174.375 177.300 -0.249 0.000 1.252 133 P CA -1.589 61.428 63.100 -0.138 0.000 0.802 133 P CB -0.129 31.584 31.700 0.021 0.000 1.035 134 P HA 0.035 nan 4.420 nan 0.000 0.266 134 P C -2.067 175.066 177.300 -0.279 0.000 1.193 134 P CA -0.468 62.254 63.100 -0.630 0.000 0.770 134 P CB -1.254 29.599 31.700 -1.411 0.000 0.836 135 P HA -0.054 nan 4.420 nan 0.000 0.262 135 P C 0.849 178.213 177.300 0.106 0.000 1.199 135 P CA 1.169 64.261 63.100 -0.015 0.000 0.763 135 P CB 0.090 31.776 31.700 -0.024 0.000 0.790 136 G N 1.854 110.739 108.800 0.141 0.000 2.213 136 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.236 136 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.236 136 G C -0.325 174.739 174.900 0.272 0.000 0.991 136 G CA -0.551 44.660 45.100 0.185 0.000 0.629 136 G HN 0.363 nan 8.290 nan 0.000 0.517 137 W N 1.391 122.670 121.300 -0.036 0.000 2.183 137 W HA 0.787 5.447 4.660 -0.000 0.000 0.348 137 W C 1.065 177.574 176.519 -0.016 0.000 1.257 137 W CA -0.614 56.708 57.345 -0.039 0.000 1.324 137 W CB 0.393 29.819 29.460 -0.056 0.000 1.144 137 W HN 0.099 nan 8.180 nan 0.000 0.622 138 R N 0.537 121.156 120.500 0.199 0.000 2.664 138 R HA 0.583 4.922 4.340 -0.000 0.000 0.286 138 R C -1.281 175.122 176.300 0.171 0.000 0.967 138 R CA -1.169 55.014 56.100 0.140 0.000 0.933 138 R CB 1.611 31.960 30.300 0.083 0.000 1.146 138 R HN 0.101 nan 8.270 nan 0.000 0.468 139 V N 3.527 123.524 119.914 0.138 0.000 2.348 139 V HA 0.046 4.166 4.120 -0.000 0.000 0.270 139 V C 1.040 177.218 176.094 0.140 0.000 1.037 139 V CA -0.166 62.218 62.300 0.140 0.000 0.872 139 V CB 1.266 33.146 31.823 0.095 0.000 1.002 139 V HN 0.751 nan 8.190 nan 0.000 0.464 140 V N 2.023 122.060 119.914 0.204 0.000 3.621 140 V HA 0.746 4.866 4.120 -0.000 0.000 0.285 140 V C 0.590 176.762 176.094 0.129 0.000 1.346 140 V CA 0.571 63.003 62.300 0.220 0.000 1.104 140 V CB -0.093 31.962 31.823 0.387 0.000 0.913 140 V HN 0.797 nan 8.190 nan 0.000 0.432 141 A N -0.036 122.853 122.820 0.115 0.000 2.594 141 A HA 0.863 5.183 4.320 -0.000 0.000 0.295 141 A C -0.886 176.731 177.584 0.055 0.000 1.071 141 A CA -0.644 51.396 52.037 0.004 0.000 0.685 141 A CB 1.779 20.784 19.000 0.007 0.000 1.285 141 A HN 0.443 nan 8.150 nan 0.000 0.405 142 E N -0.305 119.905 120.200 0.017 0.000 2.430 142 E HA 0.662 5.012 4.350 -0.000 0.000 0.279 142 E C -0.762 175.854 176.600 0.026 0.000 1.003 142 E CA -0.725 55.697 56.400 0.036 0.000 0.801 142 E CB 2.345 32.056 29.700 0.019 0.000 1.313 142 E HN 0.845 nan 8.360 nan 0.000 0.459 143 T N -2.628 111.948 114.554 0.037 0.000 2.773 143 T HA 0.312 4.662 4.350 -0.000 0.000 0.278 143 T C 0.714 175.427 174.700 0.021 0.000 1.011 143 T CA -0.716 61.401 62.100 0.029 0.000 1.014 143 T CB 1.548 70.446 68.868 0.050 0.000 1.293 143 T HN 0.301 nan 8.240 nan 0.000 0.554 144 E N 0.291 120.501 120.200 0.017 0.000 2.047 144 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 144 E C 1.759 178.363 176.600 0.007 0.000 0.987 144 E CA 1.299 57.704 56.400 0.009 0.000 0.799 144 E CB -0.085 29.619 29.700 0.007 0.000 0.752 144 E HN 0.657 nan 8.360 nan 0.000 0.449 145 E N 0.319 120.524 120.200 0.008 0.000 2.371 145 E HA 0.017 4.366 4.350 -0.000 0.000 0.194 145 E C 0.240 176.844 176.600 0.007 0.000 1.012 145 E CA 0.175 56.573 56.400 -0.004 0.000 0.860 145 E CB 0.187 29.871 29.700 -0.027 0.000 0.811 145 E HN -0.048 nan 8.360 nan 0.000 0.502 146 N N -0.106 118.610 118.700 0.027 0.000 2.540 146 N HA 0.118 4.858 4.740 -0.000 0.000 0.275 146 N C -2.387 173.148 175.510 0.040 0.000 1.053 146 N CA -1.905 51.167 53.050 0.038 0.000 0.876 146 N CB 1.625 40.150 38.487 0.064 0.000 1.284 146 N HN -0.187 nan 8.380 nan 0.000 0.518 147 P HA -0.013 nan 4.420 nan 0.000 0.239 147 P C -0.335 176.990 177.300 0.041 0.000 1.184 147 P CA 0.502 63.619 63.100 0.028 0.000 0.760 147 P CB 0.484 32.195 31.700 0.018 0.000 0.884 148 V N -0.196 119.749 119.914 0.053 0.000 2.538 148 V HA 0.391 4.511 4.120 -0.000 0.000 0.265 148 V C 1.009 177.160 176.094 0.094 0.000 0.977 148 V CA -0.252 62.090 62.300 0.069 0.000 0.852 148 V CB 0.825 32.677 31.823 0.048 0.000 1.058 148 V HN -0.067 nan 8.190 nan 0.000 0.462 149 A N 2.306 125.208 122.820 0.137 0.000 2.195 149 A HA 0.844 5.164 4.320 -0.000 0.000 0.210 149 A C 0.974 178.712 177.584 0.258 0.000 1.165 149 A CA 0.831 52.995 52.037 0.212 0.000 0.806 149 A CB 0.353 19.507 19.000 0.256 0.000 0.847 149 A HN 1.284 nan 8.150 nan 0.000 0.482 150 A N -0.328 122.635 122.820 0.238 0.000 2.594 150 A HA 0.645 4.965 4.320 -0.000 0.000 0.296 150 A C -0.866 176.872 177.584 0.257 0.000 1.061 150 A CA -0.334 51.867 52.037 0.273 0.000 0.689 150 A CB 0.592 19.901 19.000 0.514 0.000 1.280 150 A HN 0.871 nan 8.150 nan 0.000 0.406 151 I N -1.908 118.822 120.570 0.266 0.000 3.074 151 I HA 0.998 5.168 4.170 -0.000 0.000 0.310 151 I C -0.300 176.005 176.117 0.312 0.000 1.153 151 I CA -1.203 60.281 61.300 0.306 0.000 0.993 151 I CB 2.358 40.558 38.000 0.333 0.000 1.237 151 I HN 1.269 nan 8.210 nan 0.000 0.443 152 A N 2.127 125.054 122.820 0.180 0.000 2.517 152 A HA 0.716 5.036 4.320 -0.000 0.000 0.297 152 A C -0.459 176.660 177.584 -0.776 0.000 1.050 152 A CA -0.418 51.422 52.037 -0.328 0.000 0.694 152 A CB 1.526 20.459 19.000 -0.112 0.000 1.277 152 A HN 0.985 nan 8.150 nan 0.000 0.400 153 S N 2.529 117.233 115.700 -1.660 0.000 2.585 153 S HA 0.441 4.911 4.470 -0.000 0.000 0.273 153 S C -1.322 172.807 174.600 -0.785 0.000 1.339 153 S CA -0.445 56.634 58.200 -1.868 0.000 1.028 153 S CB 0.529 62.673 63.200 -1.760 0.000 0.906 153 S HN 0.573 nan 8.310 nan 0.000 0.528 154 P HA -0.133 nan 4.420 nan 0.000 0.221 154 P C 0.369 177.553 177.300 -0.194 0.000 1.145 154 P CA 1.372 64.335 63.100 -0.228 0.000 0.795 154 P CB -0.199 31.433 31.700 -0.114 0.000 0.775 155 D N -1.769 118.484 120.400 -0.245 0.000 2.340 155 D HA 0.134 4.774 4.640 -0.000 0.000 0.217 155 D C 1.295 177.490 176.300 -0.175 0.000 1.081 155 D CA 0.088 53.989 54.000 -0.164 0.000 0.842 155 D CB -1.042 39.683 40.800 -0.125 0.000 0.934 155 D HN 0.164 nan 8.370 nan 0.000 0.511 156 G N 1.884 110.514 108.800 -0.282 0.000 2.249 156 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.273 156 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.273 156 G C 0.905 175.685 174.900 -0.200 0.000 1.036 156 G CA 0.745 45.701 45.100 -0.240 0.000 0.824 156 G HN 0.640 nan 8.290 nan 0.000 0.504 157 R N -0.949 119.356 120.500 -0.325 0.000 2.250 157 R HA 0.678 5.018 4.340 -0.000 0.000 0.194 157 R C 1.038 177.273 176.300 -0.108 0.000 0.927 157 R CA 1.120 57.141 56.100 -0.131 0.000 1.052 157 R CB 0.449 30.696 30.300 -0.089 0.000 1.055 157 R HN 1.067 nan 8.270 nan 0.000 0.537 158 A N 0.427 122.975 122.820 -0.454 0.000 2.386 158 A HA 0.697 5.017 4.320 -0.000 0.000 0.311 158 A C -1.749 175.444 177.584 -0.652 0.000 1.068 158 A CA -0.703 51.173 52.037 -0.269 0.000 0.743 158 A CB 0.961 19.925 19.000 -0.059 0.000 1.258 158 A HN 0.274 nan 8.150 nan 0.000 0.429 159 Y N -0.264 120.070 120.300 0.057 0.000 2.562 159 Y HA 0.655 5.205 4.550 -0.000 0.000 0.345 159 Y C 0.581 176.515 175.900 0.056 0.000 1.045 159 Y CA -0.444 57.681 58.100 0.043 0.000 1.028 159 Y CB 2.782 41.238 38.460 -0.007 0.000 1.297 159 Y HN 0.958 nan 8.280 nan 0.000 0.463 160 G N 0.607 109.544 108.800 0.228 0.000 2.591 160 G HA2 0.620 4.580 3.960 -0.000 0.000 0.306 160 G HA3 0.620 4.580 3.960 -0.000 0.000 0.306 160 G C -1.783 173.109 174.900 -0.014 0.000 1.334 160 G CA -0.963 44.181 45.100 0.073 0.000 0.981 160 G HN 0.793 nan 8.290 nan 0.000 0.491 161 V N 0.165 119.962 119.914 -0.195 0.000 2.709 161 V HA 0.601 4.721 4.120 -0.000 0.000 0.308 161 V C 0.276 176.114 176.094 -0.426 0.000 1.062 161 V CA -0.985 61.052 62.300 -0.438 0.000 0.901 161 V CB 1.911 33.146 31.823 -0.979 0.000 1.003 161 V HN 0.630 nan 8.190 nan 0.000 0.425 162 Q N 2.885 122.527 119.800 -0.264 0.000 2.365 162 Q HA 0.361 4.701 4.340 -0.000 0.000 0.203 162 Q C -0.271 175.710 176.000 -0.032 0.000 0.929 162 Q CA 0.392 56.142 55.803 -0.089 0.000 0.948 162 Q CB -0.299 28.478 28.738 0.066 0.000 1.043 162 Q HN 0.858 nan 8.270 nan 0.000 0.505 163 F N -2.949 116.977 119.950 -0.040 0.000 2.640 163 F HA 0.557 5.084 4.527 -0.000 0.000 0.324 163 F C -0.442 175.289 175.800 -0.116 0.000 1.077 163 F CA -1.389 56.594 58.000 -0.029 0.000 0.965 163 F CB 0.818 39.868 39.000 0.083 0.000 1.351 163 F HN -0.195 nan 8.300 nan 0.000 0.487 164 H N 2.250 121.543 119.070 0.371 0.000 2.690 164 H HA 0.228 4.784 4.556 -0.000 0.000 0.289 164 H C -1.973 173.508 175.328 0.255 0.000 1.089 164 H CA -1.513 54.670 56.048 0.225 0.000 1.299 164 H CB 1.402 31.269 29.762 0.176 0.000 1.405 164 H HN 0.433 nan 8.280 nan 0.000 0.463 165 P HA -0.083 nan 4.420 nan 0.000 0.236 165 P C 1.032 178.382 177.300 0.084 0.000 1.177 165 P CA 0.627 63.867 63.100 0.233 0.000 0.773 165 P CB 0.495 32.304 31.700 0.182 0.000 0.878 166 E N -0.175 120.051 120.200 0.044 0.000 2.478 166 E HA 0.049 4.399 4.350 -0.000 0.000 0.194 166 E C 0.305 176.814 176.600 -0.152 0.000 1.045 166 E CA 0.046 56.423 56.400 -0.039 0.000 0.868 166 E CB -0.318 29.375 29.700 -0.011 0.000 0.885 166 E HN 0.054 nan 8.360 nan 0.000 0.505 167 V N 1.442 121.232 119.914 -0.206 0.000 2.532 167 V HA 0.342 4.462 4.120 -0.000 0.000 0.295 167 V C 1.384 177.267 176.094 -0.351 0.000 1.041 167 V CA 0.244 62.300 62.300 -0.406 0.000 0.926 167 V CB 1.459 32.877 31.823 -0.676 0.000 0.992 167 V HN 0.314 nan 8.190 nan 0.000 0.457 168 A N 3.146 125.692 122.820 -0.458 0.000 1.997 168 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 168 A C 1.707 179.019 177.584 -0.454 0.000 1.172 168 A CA 1.783 53.553 52.037 -0.446 0.000 0.645 168 A CB -0.689 17.992 19.000 -0.531 0.000 0.813 168 A HN 0.956 nan 8.150 nan 0.000 0.454 169 H N -0.474 118.321 119.070 -0.457 0.000 2.561 169 H HA 0.007 4.563 4.556 -0.000 0.000 0.278 169 H C -0.040 175.211 175.328 -0.128 0.000 1.014 169 H CA 1.355 57.174 56.048 -0.381 0.000 1.211 169 H CB -0.209 29.076 29.762 -0.795 0.000 1.365 169 H HN 0.328 nan 8.280 nan 0.000 0.594 170 T N 3.609 118.149 114.554 -0.023 0.000 3.332 170 T HA 0.104 4.453 4.350 -0.000 0.000 0.385 170 T C -1.510 173.163 174.700 -0.045 0.000 1.695 170 T CA -1.280 60.828 62.100 0.014 0.000 1.397 170 T CB 1.738 70.668 68.868 0.103 0.000 1.100 170 T HN 0.198 nan 8.240 nan 0.000 0.669 171 P HA -0.169 nan 4.420 nan 0.000 0.217 171 P C 0.719 177.985 177.300 -0.056 0.000 1.151 171 P CA 1.281 64.335 63.100 -0.076 0.000 0.849 171 P CB 0.298 31.957 31.700 -0.068 0.000 0.787 172 K N -0.154 120.220 120.400 -0.043 0.000 2.446 172 K HA 0.231 4.551 4.320 -0.000 0.000 0.203 172 K C 1.379 177.983 176.600 0.005 0.000 1.027 172 K CA -0.285 55.987 56.287 -0.025 0.000 1.166 172 K CB 0.100 32.581 32.500 -0.032 0.000 0.869 172 K HN 0.103 nan 8.250 nan 0.000 0.504 176 I N 1.188 121.757 120.570 -0.003 0.000 2.179 176 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 176 I C 1.876 177.971 176.117 -0.036 0.000 1.088 176 I CA 1.351 62.622 61.300 -0.048 0.000 1.357 176 I CB -0.197 37.812 38.000 0.015 0.000 1.051 176 I HN 0.221 nan 8.210 nan 0.000 0.409 177 L N 0.324 121.552 121.223 0.007 0.000 2.083 177 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 177 L C 2.597 179.511 176.870 0.073 0.000 1.083 177 L CA 1.213 56.083 54.840 0.049 0.000 0.752 177 L CB -0.506 41.574 42.059 0.036 0.000 0.899 177 L HN 0.243 nan 8.230 nan 0.000 0.433 178 E N 0.814 121.029 120.200 0.025 0.000 2.110 178 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 178 E C 1.721 178.311 176.600 -0.017 0.000 0.988 178 E CA 1.682 58.087 56.400 0.009 0.000 0.804 178 E CB -0.169 29.531 29.700 0.000 0.000 0.745 178 E HN 0.475 nan 8.360 nan 0.000 0.458 179 N N -1.013 117.665 118.700 -0.037 0.000 2.142 179 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 179 N C 1.555 177.000 175.510 -0.108 0.000 1.023 179 N CA 0.959 53.958 53.050 -0.084 0.000 0.852 179 N CB -0.314 38.094 38.487 -0.131 0.000 0.998 179 N HN 0.145 nan 8.380 nan 0.000 0.424 180 F N 2.138 121.957 119.950 -0.218 0.000 2.126 180 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 180 F C 1.827 177.564 175.800 -0.106 0.000 1.096 180 F CA 1.183 59.049 58.000 -0.223 0.000 1.255 180 F CB -0.332 38.553 39.000 -0.191 0.000 0.997 180 F HN -0.038 nan 8.300 nan 0.000 0.479 181 L N -0.033 121.077 121.223 -0.189 0.000 2.017 181 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 181 L C 2.447 179.183 176.870 -0.223 0.000 1.073 181 L CA 1.859 56.561 54.840 -0.231 0.000 0.745 181 L CB -0.897 41.130 42.059 -0.054 0.000 0.894 181 L HN 0.155 nan 8.230 nan 0.000 0.432 182 E N 0.174 120.286 120.200 -0.147 0.000 2.085 182 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 182 E C 2.337 178.851 176.600 -0.143 0.000 0.994 182 E CA 1.208 57.540 56.400 -0.113 0.000 0.801 182 E CB -0.150 29.504 29.700 -0.076 0.000 0.743 182 E HN 0.429 nan 8.360 nan 0.000 0.453 183 L N 0.106 121.211 121.223 -0.197 0.000 2.046 183 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 183 L C 2.274 179.026 176.870 -0.197 0.000 1.077 183 L CA 0.979 55.717 54.840 -0.170 0.000 0.747 183 L CB -0.260 41.699 42.059 -0.167 0.000 0.896 183 L HN 0.123 nan 8.230 nan 0.000 0.432 184 A N -0.281 122.316 122.820 -0.373 0.000 2.238 184 A HA 0.259 4.579 4.320 -0.000 0.000 0.208 184 A C 1.556 179.027 177.584 -0.188 0.000 1.177 184 A CA 0.539 52.383 52.037 -0.323 0.000 0.804 184 A CB -0.720 17.937 19.000 -0.573 0.000 0.823 184 A HN 0.488 nan 8.150 nan 0.000 0.482 185 G N -0.289 108.418 108.800 -0.156 0.000 2.366 185 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.299 185 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.299 185 G C 0.066 174.919 174.900 -0.078 0.000 1.020 185 G CA 0.353 45.397 45.100 -0.094 0.000 1.026 185 G HN 0.724 nan 8.290 nan 0.000 0.512 186 V N 2.305 122.162 119.914 -0.095 0.000 2.488 186 V HA 0.317 4.436 4.120 -0.000 0.000 0.277 186 V C 1.003 177.083 176.094 -0.022 0.000 1.046 186 V CA -0.447 61.820 62.300 -0.054 0.000 0.986 186 V CB 1.279 33.067 31.823 -0.058 0.000 0.989 186 V HN 0.651 nan 8.190 nan 0.000 0.475 187 K N 6.171 126.568 120.400 -0.004 0.000 2.350 187 K HA 0.201 4.520 4.320 -0.000 0.000 0.279 187 K C -0.203 176.413 176.600 0.027 0.000 1.027 187 K CA -0.316 55.974 56.287 0.004 0.000 0.969 187 K CB 0.538 33.038 32.500 0.000 0.000 0.954 187 K HN 0.412 nan 8.250 nan 0.000 0.474 188 R N 3.220 123.736 120.500 0.027 0.000 3.956 188 R HA 0.110 4.450 4.340 -0.000 0.000 0.237 188 R C -0.484 175.850 176.300 0.057 0.000 1.552 188 R CA -0.229 55.908 56.100 0.062 0.000 1.529 188 R CB -0.510 29.820 30.300 0.051 0.000 1.376 188 R HN 0.658 nan 8.270 nan 0.000 0.733 189 D N -0.333 120.097 120.400 0.050 0.000 2.317 189 D HA -0.109 4.531 4.640 -0.000 0.000 0.211 189 D C 0.148 176.463 176.300 0.026 0.000 0.966 189 D CA 0.479 54.445 54.000 -0.058 0.000 0.876 189 D CB 0.174 40.866 40.800 -0.180 0.000 0.927 189 D HN 0.425 nan 8.370 nan 0.000 0.519 190 W N 3.548 124.843 121.300 -0.008 0.000 1.872 190 W HA 0.051 4.711 4.660 -0.000 0.000 0.503 190 W C -0.337 176.230 176.519 0.081 0.000 0.794 190 W CA 0.112 57.510 57.345 0.088 0.000 1.972 190 W CB -0.396 29.165 29.460 0.167 0.000 1.730 190 W HN -0.094 nan 8.180 nan 0.000 0.253 191 T N 0.813 115.278 114.554 -0.149 0.000 2.932 191 T HA 0.378 4.728 4.350 -0.000 0.000 0.289 191 T C -2.046 172.484 174.700 -0.283 0.000 1.039 191 T CA -1.901 60.097 62.100 -0.171 0.000 1.024 191 T CB 2.283 71.114 68.868 -0.061 0.000 1.090 191 T HN -0.110 nan 8.240 nan 0.000 0.496 192 P HA -0.119 nan 4.420 nan 0.000 0.217 192 P C 1.710 178.907 177.300 -0.171 0.000 1.150 192 P CA 0.886 63.845 63.100 -0.235 0.000 0.832 192 P CB 0.120 31.726 31.700 -0.156 0.000 0.787 193 E N -0.350 119.788 120.200 -0.104 0.000 2.150 193 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 193 E C 1.901 178.464 176.600 -0.062 0.000 0.985 193 E CA 1.476 57.834 56.400 -0.070 0.000 0.814 193 E CB -1.295 28.384 29.700 -0.036 0.000 0.752 193 E HN 0.352 nan 8.360 nan 0.000 0.466 194 H N 1.462 120.442 119.070 -0.151 0.000 2.357 194 H HA -0.030 4.525 4.556 -0.000 0.000 0.301 194 H C 2.046 177.270 175.328 -0.174 0.000 1.082 194 H CA 2.124 58.089 56.048 -0.139 0.000 1.342 194 H CB -0.160 29.522 29.762 -0.132 0.000 1.389 194 H HN 0.007 nan 8.280 nan 0.000 0.511 195 V N 0.519 120.204 119.914 -0.382 0.000 2.295 195 V HA -0.214 3.905 4.120 -0.000 0.000 0.246 195 V C 2.628 178.563 176.094 -0.266 0.000 1.049 195 V CA 1.629 63.672 62.300 -0.428 0.000 1.024 195 V CB -0.865 30.671 31.823 -0.479 0.000 0.648 195 V HN 0.372 nan 8.190 nan 0.000 0.447 196 L N 0.367 121.475 121.223 -0.192 0.000 2.012 196 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 196 L C 2.571 179.371 176.870 -0.116 0.000 1.073 196 L CA 1.921 56.690 54.840 -0.117 0.000 0.748 196 L CB -0.915 41.090 42.059 -0.089 0.000 0.891 196 L HN 0.314 nan 8.230 nan 0.000 0.431 197 E N -0.201 119.918 120.200 -0.135 0.000 2.049 197 E HA -0.323 4.027 4.350 -0.000 0.000 0.198 197 E C 2.103 178.622 176.600 -0.134 0.000 1.007 197 E CA 1.812 58.144 56.400 -0.113 0.000 0.809 197 E CB -0.315 29.327 29.700 -0.097 0.000 0.749 197 E HN 0.694 nan 8.360 nan 0.000 0.450 198 E N 0.582 120.651 120.200 -0.219 0.000 2.051 198 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 198 E C 2.380 178.904 176.600 -0.126 0.000 0.991 198 E CA 0.690 56.972 56.400 -0.196 0.000 0.799 198 E CB -0.034 29.482 29.700 -0.307 0.000 0.748 198 E HN 0.150 nan 8.360 nan 0.000 0.449 199 L N 0.508 121.665 121.223 -0.111 0.000 2.046 199 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 199 L C 2.583 179.412 176.870 -0.070 0.000 1.077 199 L CA 0.782 55.582 54.840 -0.067 0.000 0.747 199 L CB -0.419 41.636 42.059 -0.008 0.000 0.896 199 L HN 0.264 nan 8.230 nan 0.000 0.432 200 L N -0.567 120.617 121.223 -0.065 0.000 2.056 200 L HA -0.208 4.132 4.340 -0.000 0.000 0.207 200 L C 2.881 179.716 176.870 -0.059 0.000 1.078 200 L CA 1.135 55.941 54.840 -0.057 0.000 0.749 200 L CB -0.479 41.552 42.059 -0.047 0.000 0.901 200 L HN 0.257 nan 8.230 nan 0.000 0.433 201 R N 0.500 120.963 120.500 -0.060 0.000 2.088 201 R HA -0.217 4.123 4.340 -0.000 0.000 0.232 201 R C 2.170 178.436 176.300 -0.056 0.000 1.136 201 R CA 2.052 58.121 56.100 -0.052 0.000 0.926 201 R CB -0.212 30.056 30.300 -0.053 0.000 0.837 201 R HN 0.349 nan 8.270 nan 0.000 0.429 202 E N -0.367 119.793 120.200 -0.067 0.000 2.035 202 E HA -0.237 4.113 4.350 -0.000 0.000 0.204 202 E C 1.987 178.529 176.600 -0.097 0.000 1.025 202 E CA 2.024 58.380 56.400 -0.073 0.000 0.835 202 E CB -0.213 29.442 29.700 -0.076 0.000 0.764 202 E HN 0.177 nan 8.360 nan 0.000 0.457 203 V N 0.978 120.824 119.914 -0.113 0.000 2.453 203 V HA -0.304 3.816 4.120 -0.000 0.000 0.252 203 V C 2.255 178.274 176.094 -0.125 0.000 1.068 203 V CA 1.957 64.169 62.300 -0.148 0.000 1.070 203 V CB -0.508 31.231 31.823 -0.141 0.000 0.664 203 V HN 0.216 nan 8.190 nan 0.000 0.461 204 R N -0.353 120.100 120.500 -0.079 0.000 2.062 204 R HA -0.108 4.232 4.340 -0.000 0.000 0.229 204 R C 2.386 178.663 176.300 -0.039 0.000 1.128 204 R CA 1.551 57.623 56.100 -0.047 0.000 0.960 204 R CB -0.279 30.004 30.300 -0.029 0.000 0.855 204 R HN 0.616 nan 8.270 nan 0.000 0.432 205 E N 0.042 120.218 120.200 -0.040 0.000 2.058 205 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 205 E C 2.082 178.668 176.600 -0.023 0.000 0.997 205 E CA 1.166 57.553 56.400 -0.022 0.000 0.801 205 E CB -0.070 29.617 29.700 -0.022 0.000 0.746 205 E HN 0.065 nan 8.360 nan 0.000 0.450 206 R N 1.119 121.573 120.500 -0.076 0.000 2.062 206 R HA -0.072 4.268 4.340 -0.000 0.000 0.231 206 R C 2.117 178.308 176.300 -0.181 0.000 1.136 206 R CA 1.747 57.773 56.100 -0.123 0.000 0.948 206 R CB -0.733 29.430 30.300 -0.229 0.000 0.845 206 R HN 0.151 nan 8.270 nan 0.000 0.430 207 A N -0.467 122.181 122.820 -0.285 0.000 1.877 207 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 207 A C 1.709 179.385 177.584 0.153 0.000 1.186 207 A CA 1.759 53.682 52.037 -0.190 0.000 0.620 207 A CB -1.284 17.630 19.000 -0.142 0.000 0.822 207 A HN 0.702 nan 8.150 nan 0.000 0.443 208 G N -0.485 108.359 108.800 0.074 0.000 2.583 208 G HA2 -0.351 3.608 3.960 -0.000 0.000 0.292 208 G HA3 -0.351 3.608 3.960 -0.000 0.000 0.292 208 G C 0.663 175.624 174.900 0.102 0.000 1.203 208 G CA 0.558 45.715 45.100 0.094 0.000 0.987 208 G HN 0.549 nan 8.290 nan 0.000 0.554 209 K N 1.814 122.276 120.400 0.104 0.000 2.393 209 K HA 0.179 4.499 4.320 -0.000 0.000 0.193 209 K C 0.618 177.283 176.600 0.109 0.000 1.026 209 K CA 0.443 56.781 56.287 0.085 0.000 1.064 209 K CB 0.049 32.583 32.500 0.057 0.000 0.833 209 K HN 0.589 nan 8.250 nan 0.000 0.521 210 D N 1.852 122.354 120.400 0.170 0.000 2.363 210 D HA 0.054 4.693 4.640 -0.000 0.000 0.240 210 D C -0.093 176.352 176.300 0.242 0.000 1.236 210 D CA 0.085 54.202 54.000 0.195 0.000 0.927 210 D CB 1.024 41.978 40.800 0.257 0.000 1.150 210 D HN -0.143 nan 8.370 nan 0.000 0.458 211 R N 0.176 120.818 120.500 0.237 0.000 2.460 211 R HA 0.436 4.776 4.340 -0.000 0.000 0.303 211 R C -1.078 175.510 176.300 0.480 0.000 0.968 211 R CA -0.695 55.587 56.100 0.304 0.000 0.889 211 R CB 1.233 31.645 30.300 0.186 0.000 1.123 211 R HN 0.134 nan 8.270 nan 0.000 0.455 212 V N 5.310 125.495 119.914 0.453 0.000 2.472 212 V HA 0.341 4.461 4.120 -0.000 0.000 0.290 212 V C -0.386 175.796 176.094 0.148 0.000 1.037 212 V CA -0.828 61.679 62.300 0.345 0.000 0.908 212 V CB 1.444 33.394 31.823 0.211 0.000 0.985 212 V HN 0.564 nan 8.190 nan 0.000 0.454 213 L N 5.769 126.909 121.223 -0.139 0.000 2.325 213 L HA 0.862 5.202 4.340 -0.000 0.000 0.278 213 L C -0.888 175.865 176.870 -0.195 0.000 1.023 213 L CA -0.231 54.286 54.840 -0.537 0.000 0.811 213 L CB 1.544 42.969 42.059 -1.057 0.000 1.249 213 L HN 0.667 nan 8.230 nan 0.000 0.431 214 L N 4.373 125.563 121.223 -0.056 0.000 2.466 214 L HA 0.917 5.257 4.340 -0.000 0.000 0.258 214 L C -1.312 175.642 176.870 0.140 0.000 0.973 214 L CA -0.271 54.594 54.840 0.041 0.000 0.826 214 L CB 1.987 44.053 42.059 0.011 0.000 1.372 214 L HN 0.749 nan 8.230 nan 0.000 0.409 215 A N 3.680 126.501 122.820 0.001 0.000 2.301 215 A HA 0.792 5.112 4.320 -0.000 0.000 0.312 215 A C -1.090 176.495 177.584 0.001 0.000 1.182 215 A CA -0.499 51.494 52.037 -0.075 0.000 0.826 215 A CB 1.188 19.934 19.000 -0.424 0.000 1.134 215 A HN 0.658 nan 8.150 nan 0.000 0.501 216 V N 2.553 122.518 119.914 0.085 0.000 2.487 216 V HA 0.384 4.504 4.120 -0.000 0.000 0.298 216 V C 0.990 177.162 176.094 0.129 0.000 1.028 216 V CA 0.414 62.804 62.300 0.149 0.000 0.860 216 V CB 1.731 33.709 31.823 0.259 0.000 0.991 216 V HN 1.178 nan 8.190 nan 0.000 0.427 217 S N 2.193 117.939 115.700 0.077 0.000 2.506 217 S HA 0.370 4.840 4.470 -0.000 0.000 0.219 217 S C 1.309 176.061 174.600 0.252 0.000 1.031 217 S CA 0.708 58.896 58.200 -0.019 0.000 0.911 217 S CB 0.926 64.073 63.200 -0.088 0.000 0.812 217 S HN 1.742 nan 8.310 nan 0.000 0.497 218 G N 0.713 109.695 108.800 0.303 0.000 2.278 218 G HA2 -0.032 3.927 3.960 -0.000 0.000 0.210 218 G HA3 -0.032 3.927 3.960 -0.000 0.000 0.210 218 G C 0.505 175.484 174.900 0.132 0.000 1.000 218 G CA -0.220 45.029 45.100 0.248 0.000 0.635 218 G HN 1.023 nan 8.290 nan 0.000 0.495 219 G N -0.270 108.601 108.800 0.118 0.000 2.594 219 G HA2 0.492 4.452 3.960 -0.000 0.000 0.243 219 G HA3 0.492 4.452 3.960 -0.000 0.000 0.243 219 G C 1.267 176.210 174.900 0.071 0.000 1.229 219 G CA 0.614 45.767 45.100 0.088 0.000 0.843 219 G HN 1.016 nan 8.290 nan 0.000 0.578 220 V N 0.288 120.237 119.914 0.058 0.000 2.626 220 V HA -0.096 4.024 4.120 -0.000 0.000 0.252 220 V C 2.157 178.273 176.094 0.037 0.000 1.067 220 V CA 2.507 64.831 62.300 0.040 0.000 1.081 220 V CB -0.336 31.505 31.823 0.030 0.000 0.686 220 V HN 0.855 nan 8.190 nan 0.000 0.468 221 D N 0.399 120.830 120.400 0.051 0.000 2.081 221 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 221 D C 2.376 178.779 176.300 0.172 0.000 0.986 221 D CA 2.176 56.230 54.000 0.089 0.000 0.837 221 D CB -0.250 40.609 40.800 0.098 0.000 0.985 221 D HN 0.617 nan 8.370 nan 0.000 0.448 222 S N -0.418 115.354 115.700 0.120 0.000 2.399 222 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 222 S C 2.282 176.945 174.600 0.106 0.000 1.022 222 S CA 1.441 59.705 58.200 0.106 0.000 0.983 222 S CB -0.401 62.835 63.200 0.059 0.000 0.803 222 S HN 0.119 nan 8.310 nan 0.000 0.480 223 S N 1.620 117.376 115.700 0.093 0.000 2.368 223 S HA -0.064 4.406 4.470 -0.000 0.000 0.225 223 S C 2.049 176.691 174.600 0.071 0.000 1.030 223 S CA 1.675 59.916 58.200 0.070 0.000 0.999 223 S CB -0.823 62.405 63.200 0.048 0.000 0.844 223 S HN 0.752 nan 8.310 nan 0.000 0.459 224 T N 2.401 117.012 114.554 0.096 0.000 2.904 224 T HA 0.030 4.380 4.350 -0.000 0.000 0.267 224 T C 1.684 176.530 174.700 0.244 0.000 1.059 224 T CA 0.630 62.797 62.100 0.112 0.000 1.137 224 T CB -0.281 68.595 68.868 0.013 0.000 0.879 224 T HN 0.144 nan 8.240 nan 0.000 0.467 225 L N 1.720 123.131 121.223 0.314 0.000 2.056 225 L HA 0.174 4.514 4.340 -0.000 0.000 0.207 225 L C 2.575 179.443 176.870 -0.004 0.000 1.078 225 L CA 1.654 56.590 54.840 0.159 0.000 0.749 225 L CB -1.307 40.779 42.059 0.045 0.000 0.901 225 L HN 0.213 nan 8.230 nan 0.000 0.433 226 A N -0.711 122.110 122.820 0.002 0.000 1.858 226 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 226 A C 2.147 179.662 177.584 -0.115 0.000 1.190 226 A CA 1.880 53.872 52.037 -0.075 0.000 0.617 226 A CB -0.932 18.070 19.000 0.003 0.000 0.827 226 A HN 0.401 nan 8.150 nan 0.000 0.443 227 L N -0.929 120.276 121.223 -0.029 0.000 2.127 227 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 227 L C 2.381 179.227 176.870 -0.040 0.000 1.089 227 L CA 1.594 56.418 54.840 -0.025 0.000 0.757 227 L CB -0.952 41.110 42.059 0.006 0.000 0.899 227 L HN 0.485 nan 8.230 nan 0.000 0.434 228 L N -1.194 120.017 121.223 -0.019 0.000 2.027 228 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 228 L C 2.327 179.140 176.870 -0.094 0.000 1.074 228 L CA 1.660 56.485 54.840 -0.024 0.000 0.745 228 L CB -0.442 41.629 42.059 0.020 0.000 0.898 228 L HN 0.162 nan 8.230 nan 0.000 0.433 229 L N -0.593 120.523 121.223 -0.179 0.000 2.012 229 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 229 L C 2.710 179.456 176.870 -0.206 0.000 1.073 229 L CA 1.373 56.067 54.840 -0.242 0.000 0.748 229 L CB -1.105 40.690 42.059 -0.439 0.000 0.891 229 L HN 0.380 nan 8.230 nan 0.000 0.431 230 A N 0.275 122.936 122.820 -0.265 0.000 1.865 230 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 230 A C 2.319 179.903 177.584 -0.000 0.000 1.191 230 A CA 2.210 54.222 52.037 -0.043 0.000 0.623 230 A CB -0.508 18.493 19.000 0.002 0.000 0.826 230 A HN 0.265 nan 8.150 nan 0.000 0.444 231 K N 0.250 120.635 120.400 -0.024 0.000 2.147 231 K HA 0.035 4.354 4.320 -0.000 0.000 0.205 231 K C 1.744 178.338 176.600 -0.011 0.000 1.049 231 K CA 1.598 57.878 56.287 -0.011 0.000 0.936 231 K CB -0.522 31.968 32.500 -0.016 0.000 0.722 231 K HN 0.342 nan 8.250 nan 0.000 0.446 232 A N -0.493 122.314 122.820 -0.023 0.000 2.119 232 A HA 0.224 4.544 4.320 -0.000 0.000 0.216 232 A C 1.524 179.110 177.584 0.003 0.000 1.152 232 A CA 0.931 52.955 52.037 -0.021 0.000 0.708 232 A CB -0.684 18.291 19.000 -0.042 0.000 0.805 232 A HN 0.556 nan 8.150 nan 0.000 0.460 233 G N -0.813 108.001 108.800 0.024 0.000 2.147 233 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.244 233 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.244 233 G C 0.394 175.341 174.900 0.079 0.000 1.005 233 G CA 0.633 45.766 45.100 0.055 0.000 0.713 233 G HN 1.801 nan 8.290 nan 0.000 0.515 234 V N -1.716 118.249 119.914 0.086 0.000 2.607 234 V HA 0.683 4.803 4.120 -0.000 0.000 0.289 234 V C 0.519 176.748 176.094 0.225 0.000 1.053 234 V CA -0.780 61.587 62.300 0.112 0.000 0.996 234 V CB 1.770 33.629 31.823 0.061 0.000 0.995 234 V HN 0.238 nan 8.190 nan 0.000 0.476 235 D N 4.275 124.785 120.400 0.183 0.000 2.455 235 D HA 0.278 4.917 4.640 -0.000 0.000 0.241 235 D C -0.070 176.387 176.300 0.262 0.000 1.138 235 D CA 0.848 54.950 54.000 0.170 0.000 0.877 235 D CB 0.183 41.051 40.800 0.114 0.000 1.187 235 D HN 1.098 nan 8.370 nan 0.000 0.451 236 H N 1.483 120.639 119.070 0.144 0.000 2.967 236 H HA 0.509 5.065 4.556 -0.000 0.000 0.318 236 H C -2.026 173.404 175.328 0.171 0.000 1.375 236 H CA -1.101 55.046 56.048 0.165 0.000 1.132 236 H CB 0.294 30.108 29.762 0.085 0.000 1.848 236 H HN 0.314 nan 8.280 nan 0.000 0.524 237 L N 1.688 123.002 121.223 0.152 0.000 2.441 237 L HA 0.723 5.063 4.340 -0.000 0.000 0.270 237 L C -1.045 175.888 176.870 0.105 0.000 0.973 237 L CA -0.205 54.685 54.840 0.083 0.000 0.842 237 L CB 1.409 43.570 42.059 0.170 0.000 1.239 237 L HN 0.937 nan 8.230 nan 0.000 0.406 238 A N 4.890 127.824 122.820 0.190 0.000 2.290 238 A HA 0.750 5.070 4.320 -0.000 0.000 0.310 238 A C -0.917 176.773 177.584 0.177 0.000 1.202 238 A CA -0.472 51.674 52.037 0.182 0.000 0.837 238 A CB 0.941 20.060 19.000 0.198 0.000 1.139 238 A HN 0.533 nan 8.150 nan 0.000 0.509 239 V N 2.964 123.011 119.914 0.223 0.000 2.384 239 V HA 0.347 4.467 4.120 -0.000 0.000 0.287 239 V C -0.837 175.429 176.094 0.288 0.000 1.020 239 V CA -0.241 62.218 62.300 0.264 0.000 0.850 239 V CB 0.965 32.996 31.823 0.346 0.000 0.987 239 V HN 0.765 nan 8.190 nan 0.000 0.436 240 F N 5.574 125.591 119.950 0.111 0.000 2.332 240 F HA 0.581 5.107 4.527 -0.000 0.000 0.368 240 F C -0.022 175.822 175.800 0.074 0.000 1.110 240 F CA -0.537 57.508 58.000 0.075 0.000 1.087 240 F CB 1.282 40.306 39.000 0.040 0.000 1.235 240 F HN 0.282 nan 8.300 nan 0.000 0.470 241 V N 5.631 125.381 119.914 -0.274 0.000 2.353 241 V HA 0.088 4.208 4.120 -0.000 0.000 0.264 241 V C -0.085 175.749 176.094 -0.434 0.000 1.049 241 V CA -0.584 61.612 62.300 -0.174 0.000 0.896 241 V CB 0.818 32.656 31.823 0.027 0.000 1.025 241 V HN 0.547 nan 8.190 nan 0.000 0.475 242 D N 4.217 124.522 120.400 -0.158 0.000 2.435 242 D HA 0.068 4.707 4.640 -0.000 0.000 0.230 242 D C 1.401 177.651 176.300 -0.083 0.000 1.215 242 D CA -0.217 53.726 54.000 -0.096 0.000 0.947 242 D CB 0.297 41.181 40.800 0.140 0.000 1.048 242 D HN 0.824 nan 8.370 nan 0.000 0.512 243 H N 1.545 120.362 119.070 -0.422 0.000 2.553 243 H HA 0.213 4.768 4.556 -0.000 0.000 0.269 243 H C 1.273 176.393 175.328 -0.347 0.000 1.011 243 H CA 0.011 55.532 56.048 -0.877 0.000 1.150 243 H CB 0.146 28.908 29.762 -1.667 0.000 1.339 243 H HN 0.442 nan 8.280 nan 0.000 0.604 244 G N 1.524 110.400 108.800 0.127 0.000 2.168 244 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 244 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 244 G C 0.463 175.352 174.900 -0.018 0.000 0.997 244 G CA 0.590 45.735 45.100 0.075 0.000 0.708 244 G HN 0.534 nan 8.290 nan 0.000 0.520 245 L N -0.463 120.670 121.223 -0.150 0.000 3.066 245 L HA 0.448 4.788 4.340 -0.000 0.000 0.265 245 L C 1.118 178.019 176.870 0.052 0.000 1.232 245 L CA -0.393 54.270 54.840 -0.295 0.000 1.031 245 L CB 0.164 41.721 42.059 -0.838 0.000 1.379 245 L HN 0.130 nan 8.230 nan 0.000 0.563 246 L N -0.057 121.285 121.223 0.197 0.000 2.454 246 L HA 0.389 4.729 4.340 -0.000 0.000 0.256 246 L C 0.760 177.641 176.870 0.019 0.000 1.136 246 L CA -0.649 54.312 54.840 0.201 0.000 0.804 246 L CB 0.745 42.915 42.059 0.184 0.000 1.181 246 L HN 0.173 nan 8.230 nan 0.000 0.469 247 R N 0.286 120.652 120.500 -0.224 0.000 2.774 247 R HA 0.190 4.530 4.340 -0.000 0.000 0.269 247 R C -0.614 175.630 176.300 -0.093 0.000 1.068 247 R CA -0.845 55.133 56.100 -0.203 0.000 1.180 247 R CB 0.186 30.261 30.300 -0.375 0.000 1.077 247 R HN 0.229 nan 8.270 nan 0.000 0.513 248 L N 1.988 123.176 121.223 -0.059 0.000 2.584 248 L HA 0.033 4.373 4.340 -0.000 0.000 0.272 248 L C 1.207 178.046 176.870 -0.051 0.000 1.195 248 L CA 1.927 56.744 54.840 -0.038 0.000 0.920 248 L CB 0.155 42.198 42.059 -0.027 0.000 1.173 248 L HN 0.921 nan 8.230 nan 0.000 0.489 249 G N 2.539 111.317 108.800 -0.037 0.000 2.184 249 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.264 249 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.264 249 G C 1.038 175.904 174.900 -0.057 0.000 0.975 249 G CA 0.662 45.734 45.100 -0.045 0.000 0.642 249 G HN 0.660 nan 8.290 nan 0.000 0.536 250 E N -0.050 120.118 120.200 -0.054 0.000 2.051 250 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 250 E C 2.430 179.001 176.600 -0.048 0.000 0.991 250 E CA 1.244 57.612 56.400 -0.053 0.000 0.799 250 E CB -0.127 29.543 29.700 -0.050 0.000 0.748 250 E HN 0.596 nan 8.360 nan 0.000 0.449 251 R N 0.660 121.162 120.500 0.004 0.000 2.083 251 R HA -0.209 4.131 4.340 -0.000 0.000 0.237 251 R C 2.034 178.214 176.300 -0.201 0.000 1.137 251 R CA 2.086 58.133 56.100 -0.088 0.000 0.951 251 R CB -0.128 30.218 30.300 0.077 0.000 0.851 251 R HN 0.230 nan 8.270 nan 0.000 0.434 252 E N 0.076 120.210 120.200 -0.109 0.000 2.077 252 E HA -0.205 4.144 4.350 -0.000 0.000 0.193 252 E C 2.031 178.556 176.600 -0.125 0.000 0.989 252 E CA 1.499 57.835 56.400 -0.106 0.000 0.800 252 E CB -0.051 29.610 29.700 -0.065 0.000 0.746 252 E HN 0.530 nan 8.360 nan 0.000 0.452 253 E N 0.469 120.597 120.200 -0.119 0.000 2.051 253 E HA -0.164 4.185 4.350 -0.000 0.000 0.192 253 E C 2.237 178.753 176.600 -0.140 0.000 0.991 253 E CA 1.164 57.496 56.400 -0.114 0.000 0.799 253 E CB 0.048 29.687 29.700 -0.103 0.000 0.748 253 E HN 0.048 nan 8.360 nan 0.000 0.449 254 V N 2.097 121.891 119.914 -0.200 0.000 2.270 254 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 254 V C 2.479 178.414 176.094 -0.266 0.000 1.043 254 V CA 2.228 64.380 62.300 -0.247 0.000 1.014 254 V CB -0.724 30.864 31.823 -0.390 0.000 0.645 254 V HN 0.410 nan 8.190 nan 0.000 0.447 255 E N 0.966 120.963 120.200 -0.339 0.000 2.085 255 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 255 E C 2.245 178.766 176.600 -0.132 0.000 0.994 255 E CA 1.756 58.011 56.400 -0.242 0.000 0.801 255 E CB -0.776 28.789 29.700 -0.226 0.000 0.743 255 E HN 0.488 nan 8.360 nan 0.000 0.453 256 G N 1.293 110.023 108.800 -0.116 0.000 2.433 256 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.216 256 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.216 256 G C 1.804 176.666 174.900 -0.064 0.000 1.186 256 G CA 1.381 46.435 45.100 -0.077 0.000 0.779 256 G HN 0.466 nan 8.290 nan 0.000 0.543 257 A N 0.581 123.358 122.820 -0.071 0.000 1.877 257 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 257 A C 2.479 180.039 177.584 -0.040 0.000 1.186 257 A CA 1.380 53.385 52.037 -0.053 0.000 0.620 257 A CB -0.481 18.486 19.000 -0.056 0.000 0.822 257 A HN 0.344 nan 8.150 nan 0.000 0.443 258 L N -1.233 119.962 121.223 -0.046 0.000 2.017 258 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 258 L C 2.890 179.759 176.870 -0.002 0.000 1.073 258 L CA 1.668 56.497 54.840 -0.019 0.000 0.745 258 L CB -0.591 41.459 42.059 -0.016 0.000 0.894 258 L HN 0.352 nan 8.230 nan 0.000 0.432 259 R N 0.049 120.540 120.500 -0.014 0.000 2.091 259 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 259 R C 2.434 178.735 176.300 0.000 0.000 1.136 259 R CA 1.446 57.545 56.100 -0.000 0.000 0.959 259 R CB -0.522 29.771 30.300 -0.013 0.000 0.856 259 R HN 0.372 nan 8.270 nan 0.000 0.437 260 A N 0.739 123.552 122.820 -0.012 0.000 2.019 260 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 260 A C 1.981 179.563 177.584 -0.004 0.000 1.164 260 A CA 1.159 53.190 52.037 -0.011 0.000 0.644 260 A CB -0.337 18.651 19.000 -0.020 0.000 0.805 260 A HN 0.221 nan 8.150 nan 0.000 0.449 261 L N -1.790 119.433 121.223 -0.001 0.000 2.558 261 L HA 0.205 4.545 4.340 -0.000 0.000 0.225 261 L C 1.577 178.458 176.870 0.019 0.000 1.128 261 L CA 0.601 55.444 54.840 0.004 0.000 0.868 261 L CB 0.074 42.132 42.059 -0.001 0.000 1.006 261 L HN 0.590 nan 8.230 nan 0.000 0.454 262 G N 0.415 109.233 108.800 0.031 0.000 2.148 262 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.203 262 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.203 262 G C 0.139 175.105 174.900 0.109 0.000 0.993 262 G CA 0.013 45.146 45.100 0.055 0.000 0.661 262 G HN 0.170 nan 8.290 nan 0.000 0.518 263 V N -0.752 119.233 119.914 0.118 0.000 2.607 263 V HA 0.705 4.825 4.120 -0.000 0.000 0.289 263 V C 0.103 176.322 176.094 0.208 0.000 1.053 263 V CA -1.236 61.214 62.300 0.251 0.000 0.996 263 V CB 1.348 33.277 31.823 0.177 0.000 0.995 263 V HN 0.176 nan 8.190 nan 0.000 0.476 264 N N 4.944 123.774 118.700 0.217 0.000 2.399 264 N HA 0.333 5.073 4.740 -0.000 0.000 0.259 264 N C -0.672 174.882 175.510 0.072 0.000 1.160 264 N CA 0.110 53.153 53.050 -0.013 0.000 0.946 264 N CB 0.872 39.193 38.487 -0.278 0.000 1.156 264 N HN 0.776 nan 8.380 nan 0.000 0.489 265 L N 2.720 123.984 121.223 0.068 0.000 2.334 265 L HA 0.611 4.951 4.340 -0.000 0.000 0.276 265 L C -1.004 175.911 176.870 0.075 0.000 1.014 265 L CA -0.708 54.182 54.840 0.084 0.000 0.815 265 L CB 1.720 43.813 42.059 0.056 0.000 1.268 265 L HN 0.412 nan 8.230 nan 0.000 0.428 266 L N 5.398 126.685 121.223 0.107 0.000 2.404 266 L HA 0.635 4.975 4.340 -0.000 0.000 0.272 266 L C -1.503 175.458 176.870 0.152 0.000 0.980 266 L CA -0.641 54.262 54.840 0.106 0.000 0.836 266 L CB 1.876 43.995 42.059 0.098 0.000 1.238 266 L HN 0.430 nan 8.230 nan 0.000 0.408 267 V N 5.429 125.426 119.914 0.138 0.000 2.427 267 V HA 0.407 4.526 4.120 -0.000 0.000 0.286 267 V C -0.063 176.126 176.094 0.158 0.000 1.034 267 V CA -0.532 61.887 62.300 0.198 0.000 0.893 267 V CB 1.759 33.675 31.823 0.155 0.000 0.982 267 V HN 0.489 nan 8.190 nan 0.000 0.452 268 V N 3.640 123.657 119.914 0.171 0.000 2.384 268 V HA 0.323 4.443 4.120 -0.000 0.000 0.287 268 V C -0.032 176.142 176.094 0.132 0.000 1.020 268 V CA -0.551 61.826 62.300 0.128 0.000 0.850 268 V CB 1.740 33.631 31.823 0.113 0.000 0.987 268 V HN 0.880 nan 8.190 nan 0.000 0.436 269 D N 4.600 125.070 120.400 0.118 0.000 2.422 269 D HA 0.383 5.023 4.640 -0.000 0.000 0.227 269 D C 0.448 176.832 176.300 0.140 0.000 1.190 269 D CA -0.048 54.024 54.000 0.120 0.000 0.905 269 D CB 1.584 42.443 40.800 0.098 0.000 1.034 269 D HN 0.657 nan 8.370 nan 0.000 0.507 270 A N 4.296 127.229 122.820 0.188 0.000 2.594 270 A HA 0.110 4.430 4.320 -0.000 0.000 0.287 270 A C 1.751 179.560 177.584 0.374 0.000 1.227 270 A CA -0.350 51.863 52.037 0.292 0.000 0.952 270 A CB 0.173 19.445 19.000 0.454 0.000 1.161 270 A HN 0.448 nan 8.150 nan 0.000 0.524 271 K N 0.246 120.784 120.400 0.230 0.000 2.020 271 K HA -0.235 4.085 4.320 -0.000 0.000 0.212 271 K C 1.803 178.528 176.600 0.209 0.000 1.050 271 K CA 1.811 58.218 56.287 0.200 0.000 0.929 271 K CB 0.003 32.578 32.500 0.126 0.000 0.714 271 K HN 0.425 nan 8.250 nan 0.000 0.443 272 E N 1.281 121.575 120.200 0.157 0.000 2.077 272 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 272 E C 1.987 178.660 176.600 0.122 0.000 0.989 272 E CA 1.345 57.816 56.400 0.118 0.000 0.800 272 E CB -0.067 29.683 29.700 0.084 0.000 0.746 272 E HN 0.165 nan 8.360 nan 0.000 0.452 273 R N -1.096 119.484 120.500 0.134 0.000 2.080 273 R HA -0.167 4.173 4.340 -0.000 0.000 0.236 273 R C 2.285 178.594 176.300 0.015 0.000 1.137 273 R CA 1.856 57.986 56.100 0.049 0.000 0.943 273 R CB -0.526 29.780 30.300 0.011 0.000 0.846 273 R HN 0.240 nan 8.270 nan 0.000 0.431 274 F N 0.394 120.382 119.950 0.063 0.000 2.102 274 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 274 F C 2.212 178.035 175.800 0.038 0.000 1.105 274 F CA 0.912 58.949 58.000 0.062 0.000 1.239 274 F CB -0.481 38.573 39.000 0.090 0.000 0.991 274 F HN 0.123 nan 8.300 nan 0.000 0.474 275 L N 0.743 122.100 121.223 0.222 0.000 2.012 275 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 275 L C 2.117 179.035 176.870 0.080 0.000 1.073 275 L CA 1.888 56.803 54.840 0.125 0.000 0.748 275 L CB -0.939 41.179 42.059 0.099 0.000 0.891 275 L HN 0.016 nan 8.230 nan 0.000 0.431 276 K N -0.405 120.034 120.400 0.065 0.000 2.020 276 K HA -0.185 4.135 4.320 -0.000 0.000 0.212 276 K C 2.044 178.656 176.600 0.020 0.000 1.050 276 K CA 1.714 58.022 56.287 0.034 0.000 0.929 276 K CB -0.601 31.913 32.500 0.022 0.000 0.714 276 K HN 0.490 nan 8.250 nan 0.000 0.443 277 A N 1.033 123.853 122.820 0.000 0.000 2.024 277 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 277 A C 1.930 179.520 177.584 0.010 0.000 1.164 277 A CA 1.314 53.339 52.037 -0.021 0.000 0.643 277 A CB -0.464 18.483 19.000 -0.089 0.000 0.806 277 A HN 0.215 nan 8.150 nan 0.000 0.451 278 L N -1.069 120.178 121.223 0.040 0.000 2.592 278 L HA 0.088 4.428 4.340 -0.000 0.000 0.227 278 L C 1.006 177.899 176.870 0.037 0.000 1.127 278 L CA -0.154 54.715 54.840 0.048 0.000 0.884 278 L CB -0.119 41.983 42.059 0.071 0.000 1.065 278 L HN 0.265 nan 8.230 nan 0.000 0.457 279 K N 0.951 121.371 120.400 0.032 0.000 2.511 279 K HA 0.060 4.380 4.320 -0.000 0.000 0.280 279 K C 1.153 177.769 176.600 0.025 0.000 1.008 279 K CA 0.931 57.236 56.287 0.029 0.000 1.050 279 K CB 0.239 32.755 32.500 0.025 0.000 0.889 279 K HN 0.219 nan 8.250 nan 0.000 0.484 280 G N 2.196 111.012 108.800 0.027 0.000 2.168 280 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.257 280 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.257 280 G C -0.206 174.708 174.900 0.024 0.000 0.997 280 G CA 0.280 45.395 45.100 0.025 0.000 0.708 280 G HN 0.473 nan 8.290 nan 0.000 0.520 281 V N -0.088 119.842 119.914 0.027 0.000 2.370 281 V HA 0.507 4.627 4.120 -0.000 0.000 0.283 281 V C 0.851 176.962 176.094 0.028 0.000 1.023 281 V CA 0.073 62.388 62.300 0.026 0.000 0.857 281 V CB 1.475 33.314 31.823 0.026 0.000 0.985 281 V HN 0.407 nan 8.190 nan 0.000 0.443 282 E N 1.745 121.961 120.200 0.027 0.000 2.206 282 E HA 0.047 4.397 4.350 -0.000 0.000 0.195 282 E C 0.540 177.157 176.600 0.029 0.000 0.935 282 E CA -0.080 56.339 56.400 0.031 0.000 0.875 282 E CB 0.075 29.794 29.700 0.031 0.000 0.841 282 E HN 0.756 nan 8.360 nan 0.000 0.477 283 D N 2.986 123.400 120.400 0.024 0.000 2.479 283 D HA -0.048 4.592 4.640 -0.000 0.000 0.257 283 D C -1.368 174.945 176.300 0.021 0.000 1.230 283 D CA -1.267 52.746 54.000 0.021 0.000 0.912 283 D CB 0.926 41.736 40.800 0.017 0.000 1.130 283 D HN -0.084 nan 8.370 nan 0.000 0.515 284 P HA -0.226 nan 4.420 nan 0.000 0.217 284 P C 1.120 178.429 177.300 0.015 0.000 1.148 284 P CA 1.087 64.200 63.100 0.021 0.000 0.828 284 P CB 0.254 31.969 31.700 0.024 0.000 0.783 285 E N 0.117 120.325 120.200 0.014 0.000 2.106 285 E HA -0.217 4.132 4.350 -0.000 0.000 0.192 285 E C 2.097 178.706 176.600 0.016 0.000 0.984 285 E CA 0.878 57.285 56.400 0.012 0.000 0.806 285 E CB -0.125 29.581 29.700 0.009 0.000 0.750 285 E HN -0.005 nan 8.360 nan 0.000 0.458 286 E N 1.072 121.283 120.200 0.017 0.000 2.072 286 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 286 E C 1.825 178.440 176.600 0.026 0.000 0.985 286 E CA 1.367 57.779 56.400 0.020 0.000 0.801 286 E CB 0.053 29.764 29.700 0.019 0.000 0.750 286 E HN 0.166 nan 8.360 nan 0.000 0.452 287 K N -0.138 120.278 120.400 0.027 0.000 2.032 287 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 287 K C 2.337 178.963 176.600 0.042 0.000 1.048 287 K CA 1.571 57.879 56.287 0.035 0.000 0.927 287 K CB -0.154 32.362 32.500 0.026 0.000 0.712 287 K HN 0.057 nan 8.250 nan 0.000 0.441 288 R N 0.750 121.267 120.500 0.029 0.000 2.092 288 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 288 R C 2.214 178.540 176.300 0.044 0.000 1.119 288 R CA 0.927 57.044 56.100 0.029 0.000 0.970 288 R CB -0.059 30.246 30.300 0.009 0.000 0.864 288 R HN 0.058 nan 8.270 nan 0.000 0.440 289 K N 0.938 121.359 120.400 0.037 0.000 2.002 289 K HA -0.099 4.220 4.320 -0.000 0.000 0.209 289 K C 2.134 178.763 176.600 0.049 0.000 1.048 289 K CA 1.289 57.599 56.287 0.038 0.000 0.930 289 K CB -0.359 32.157 32.500 0.027 0.000 0.714 289 K HN 0.237 nan 8.250 nan 0.000 0.438 290 I N 1.070 121.667 120.570 0.046 0.000 2.179 290 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 290 I C 2.497 178.660 176.117 0.076 0.000 1.088 290 I CA 1.170 62.493 61.300 0.039 0.000 1.357 290 I CB -0.437 37.582 38.000 0.031 0.000 1.051 290 I HN 0.063 nan 8.210 nan 0.000 0.409 291 I N 1.134 121.794 120.570 0.149 0.000 2.127 291 I HA -0.246 3.924 4.170 -0.000 0.000 0.241 291 I C 2.764 179.076 176.117 0.325 0.000 1.075 291 I CA 1.944 63.433 61.300 0.315 0.000 1.334 291 I CB -1.126 37.021 38.000 0.246 0.000 1.040 291 I HN 0.288 nan 8.210 nan 0.000 0.405 292 G N 0.416 109.331 108.800 0.192 0.000 2.440 292 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 292 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 292 G C 1.826 176.854 174.900 0.212 0.000 1.154 292 G CA 0.799 46.012 45.100 0.188 0.000 0.767 292 G HN 0.309 nan 8.290 nan 0.000 0.552 293 R N 0.004 120.579 120.500 0.125 0.000 2.075 293 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 293 R C 2.450 178.764 176.300 0.023 0.000 1.126 293 R CA 1.267 57.409 56.100 0.069 0.000 0.963 293 R CB -0.111 30.203 30.300 0.024 0.000 0.858 293 R HN 0.200 nan 8.270 nan 0.000 0.435 294 E N 0.016 120.178 120.200 -0.064 0.000 2.106 294 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 294 E C 1.633 178.188 176.600 -0.076 0.000 0.984 294 E CA 0.914 57.126 56.400 -0.314 0.000 0.806 294 E CB -0.312 28.734 29.700 -1.089 0.000 0.750 294 E HN 0.328 nan 8.360 nan 0.000 0.458 295 F N 1.718 121.770 119.950 0.170 0.000 2.113 295 F HA -0.206 4.321 4.527 -0.000 0.000 0.297 295 F C 2.233 178.142 175.800 0.183 0.000 1.103 295 F CA 1.505 59.683 58.000 0.298 0.000 1.248 295 F CB -0.228 38.911 39.000 0.232 0.000 0.999 295 F HN -0.084 nan 8.300 nan 0.000 0.475 296 V N -0.715 119.238 119.914 0.065 0.000 2.626 296 V HA -0.081 4.039 4.120 -0.000 0.000 0.252 296 V C 2.408 178.499 176.094 -0.005 0.000 1.067 296 V CA 1.346 63.672 62.300 0.044 0.000 1.081 296 V CB -2.044 29.872 31.823 0.155 0.000 0.686 296 V HN 0.386 nan 8.190 nan 0.000 0.468 297 A N 1.152 123.955 122.820 -0.028 0.000 1.841 297 A HA 0.123 4.442 4.320 -0.000 0.000 0.214 297 A C 2.518 180.072 177.584 -0.051 0.000 1.195 297 A CA 2.286 54.303 52.037 -0.035 0.000 0.611 297 A CB -1.281 17.686 19.000 -0.055 0.000 0.835 297 A HN 0.890 nan 8.150 nan 0.000 0.443 298 A N -1.634 121.146 122.820 -0.068 0.000 1.972 298 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 298 A C 2.032 179.581 177.584 -0.059 0.000 1.169 298 A CA 1.714 53.728 52.037 -0.039 0.000 0.635 298 A CB -0.669 18.350 19.000 0.031 0.000 0.810 298 A HN 0.645 nan 8.150 nan 0.000 0.446 299 F N 0.941 120.681 119.950 -0.349 0.000 2.163 299 F HA -0.057 4.470 4.527 -0.000 0.000 0.297 299 F C 2.527 178.245 175.800 -0.136 0.000 1.094 299 F CA 1.583 59.382 58.000 -0.335 0.000 1.290 299 F CB -0.338 38.299 39.000 -0.605 0.000 1.017 299 F HN 0.186 nan 8.300 nan 0.000 0.483 300 S N -0.194 115.446 115.700 -0.100 0.000 2.368 300 S HA -0.241 4.229 4.470 -0.000 0.000 0.224 300 S C 1.967 176.513 174.600 -0.091 0.000 1.029 300 S CA 1.220 59.367 58.200 -0.088 0.000 0.988 300 S CB -0.453 62.758 63.200 0.018 0.000 0.838 300 S HN 0.543 nan 8.310 nan 0.000 0.462 301 Q N 0.790 120.549 119.800 -0.068 0.000 2.096 301 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 301 Q C 2.005 177.975 176.000 -0.050 0.000 0.982 301 Q CA 1.553 57.331 55.803 -0.043 0.000 0.850 301 Q CB -0.147 28.574 28.738 -0.028 0.000 0.901 301 Q HN 0.379 nan 8.270 nan 0.000 0.422 302 V N 0.739 120.595 119.914 -0.096 0.000 2.307 302 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 302 V C 2.372 178.435 176.094 -0.051 0.000 1.045 302 V CA 1.703 63.955 62.300 -0.081 0.000 1.024 302 V CB -1.128 30.622 31.823 -0.122 0.000 0.651 302 V HN 0.533 nan 8.190 nan 0.000 0.449 303 A N 0.100 122.814 122.820 -0.178 0.000 1.892 303 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 303 A C 2.380 180.072 177.584 0.181 0.000 1.188 303 A CA 2.132 54.185 52.037 0.025 0.000 0.631 303 A CB -0.516 18.439 19.000 -0.075 0.000 0.822 303 A HN 0.527 nan 8.150 nan 0.000 0.447 304 R N -0.647 119.889 120.500 0.059 0.000 2.070 304 R HA -0.125 4.215 4.340 -0.000 0.000 0.233 304 R C 2.229 178.540 176.300 0.018 0.000 1.137 304 R CA 1.630 57.749 56.100 0.033 0.000 0.945 304 R CB -0.431 29.869 30.300 0.001 0.000 0.845 304 R HN 0.679 nan 8.270 nan 0.000 0.430 305 E N 0.238 120.447 120.200 0.016 0.000 2.085 305 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 305 E C 1.899 178.502 176.600 0.005 0.000 0.994 305 E CA 1.126 57.529 56.400 0.006 0.000 0.801 305 E CB 0.051 29.756 29.700 0.008 0.000 0.743 305 E HN 0.234 nan 8.360 nan 0.000 0.453 306 R N 0.358 120.889 120.500 0.052 0.000 2.334 306 R HA 0.119 4.459 4.340 -0.000 0.000 0.216 306 R C 1.031 177.216 176.300 -0.191 0.000 0.905 306 R CA -0.011 56.105 56.100 0.026 0.000 1.064 306 R CB 0.565 30.964 30.300 0.165 0.000 1.046 306 R HN 0.015 nan 8.270 nan 0.000 0.508 307 G N 2.542 111.239 108.800 -0.172 0.000 2.661 307 G HA2 0.072 4.032 3.960 -0.000 0.000 0.272 307 G HA3 0.072 4.032 3.960 -0.000 0.000 0.272 307 G C -1.912 172.754 174.900 -0.390 0.000 1.296 307 G CA -0.689 44.148 45.100 -0.437 0.000 0.998 307 G HN 0.033 nan 8.290 nan 0.000 0.553 308 P HA 0.428 nan 4.420 nan 0.000 0.281 308 P C -1.502 175.540 177.300 -0.431 0.000 1.249 308 P CA -0.304 62.630 63.100 -0.275 0.000 0.810 308 P CB 1.108 32.715 31.700 -0.154 0.000 1.008 309 F N 0.794 120.810 119.950 0.111 0.000 2.496 309 F HA 0.415 4.942 4.527 -0.000 0.000 0.341 309 F C 1.774 177.692 175.800 0.196 0.000 1.134 309 F CA -0.687 57.423 58.000 0.184 0.000 0.968 309 F CB 1.884 41.049 39.000 0.274 0.000 1.205 309 F HN 0.291 nan 8.300 nan 0.000 0.436 310 R N 2.282 122.879 120.500 0.162 0.000 2.090 310 R HA 0.068 4.408 4.340 -0.000 0.000 0.228 310 R C -0.366 175.827 176.300 -0.178 0.000 1.110 310 R CA 1.255 57.261 56.100 -0.158 0.000 0.973 310 R CB 0.184 30.168 30.300 -0.526 0.000 0.869 310 R HN 0.386 nan 8.270 nan 0.000 0.440 311 F N 0.143 120.266 119.950 0.287 0.000 2.492 311 F HA 0.377 4.903 4.527 -0.000 0.000 0.327 311 F C -0.443 175.363 175.800 0.010 0.000 1.079 311 F CA -1.288 56.817 58.000 0.176 0.000 0.967 311 F CB 1.611 40.669 39.000 0.096 0.000 1.169 311 F HN -0.173 nan 8.300 nan 0.000 0.472 312 L N 2.791 124.088 121.223 0.125 0.000 2.345 312 L HA 0.800 5.140 4.340 -0.000 0.000 0.274 312 L C -0.545 176.301 176.870 -0.040 0.000 0.999 312 L CA -0.653 54.075 54.840 -0.186 0.000 0.849 312 L CB 0.499 42.320 42.059 -0.397 0.000 1.220 312 L HN 0.664 nan 8.230 nan 0.000 0.422 313 A N 4.834 127.620 122.820 -0.057 0.000 2.354 313 A HA 0.733 5.052 4.320 -0.000 0.000 0.269 313 A C -0.360 177.172 177.584 -0.087 0.000 1.109 313 A CA -0.270 51.718 52.037 -0.082 0.000 0.800 313 A CB 0.477 19.409 19.000 -0.112 0.000 1.045 313 A HN 0.786 nan 8.150 nan 0.000 0.489 314 Q N 0.344 120.086 119.800 -0.096 0.000 2.451 314 Q HA 0.519 4.859 4.340 -0.000 0.000 0.281 314 Q C 0.327 176.279 176.000 -0.080 0.000 1.099 314 Q CA -0.463 55.297 55.803 -0.072 0.000 0.806 314 Q CB 2.205 30.920 28.738 -0.039 0.000 1.419 314 Q HN 0.825 nan 8.270 nan 0.000 0.427 315 G N 0.771 109.563 108.800 -0.013 0.000 3.591 315 G HA2 0.069 4.029 3.960 -0.000 0.000 0.282 315 G HA3 0.069 4.029 3.960 -0.000 0.000 0.282 315 G C 0.046 175.023 174.900 0.129 0.000 1.238 315 G CA -0.170 44.988 45.100 0.097 0.000 0.993 315 G HN 0.414 nan 8.290 nan 0.000 0.542 316 T N 1.573 116.164 114.554 0.062 0.000 2.866 316 T HA 0.150 4.500 4.350 -0.000 0.000 0.293 316 T C 0.492 175.265 174.700 0.121 0.000 1.005 316 T CA 0.573 62.712 62.100 0.067 0.000 1.162 316 T CB 0.843 69.734 68.868 0.039 0.000 0.968 316 T HN 0.069 nan 8.240 nan 0.000 0.530 317 L N 2.269 123.553 121.223 0.102 0.000 2.332 317 L HA 0.379 4.719 4.340 -0.000 0.000 0.269 317 L C 1.296 178.204 176.870 0.064 0.000 1.016 317 L CA -1.143 53.762 54.840 0.109 0.000 0.809 317 L CB 0.585 42.702 42.059 0.098 0.000 1.280 317 L HN 0.520 nan 8.230 nan 0.000 0.447 318 Y N 2.257 122.455 120.300 -0.170 0.000 2.241 318 Y HA -0.139 4.411 4.550 -0.000 0.000 0.286 318 Y C -0.826 174.948 175.900 -0.210 0.000 1.166 318 Y CA 1.561 59.496 58.100 -0.275 0.000 1.203 318 Y CB -1.072 37.023 38.460 -0.608 0.000 0.977 318 Y HN 0.441 nan 8.280 nan 0.000 0.529 319 P HA -0.101 nan 4.420 nan 0.000 0.219 319 P C 1.267 178.502 177.300 -0.110 0.000 1.150 319 P CA 1.951 64.986 63.100 -0.108 0.000 0.814 319 P CB 0.088 31.833 31.700 0.075 0.000 0.787 320 D N -0.912 119.449 120.400 -0.066 0.000 2.144 320 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 320 D C 1.956 178.208 176.300 -0.080 0.000 0.978 320 D CA 1.046 55.018 54.000 -0.047 0.000 0.833 320 D CB -0.525 40.268 40.800 -0.011 0.000 0.961 320 D HN -0.003 nan 8.370 nan 0.000 0.470 321 V N 1.169 121.011 119.914 -0.118 0.000 2.515 321 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 321 V C 2.374 178.359 176.094 -0.181 0.000 1.058 321 V CA 1.029 63.257 62.300 -0.119 0.000 1.064 321 V CB -0.171 31.602 31.823 -0.084 0.000 0.675 321 V HN 0.168 nan 8.190 nan 0.000 0.461 322 I N -0.776 119.616 120.570 -0.296 0.000 3.030 322 I HA 0.010 4.180 4.170 -0.000 0.000 0.270 322 I C 1.113 177.135 176.117 -0.158 0.000 1.211 322 I CA 0.466 61.591 61.300 -0.292 0.000 1.479 322 I CB 0.108 37.857 38.000 -0.419 0.000 1.105 322 I HN 0.470 nan 8.210 nan 0.000 0.447 341 G N 0.495 109.361 108.800 0.110 0.000 2.428 341 G HA2 0.566 4.526 3.960 -0.000 0.000 0.320 341 G HA3 0.566 4.526 3.960 -0.000 0.000 0.320 341 G C 0.047 175.021 174.900 0.124 0.000 1.098 341 G CA -0.362 44.800 45.100 0.103 0.000 0.984 341 G HN 0.530 nan 8.290 nan 0.000 0.444 342 L N 3.677 124.991 121.223 0.151 0.000 2.436 342 L HA 0.290 4.630 4.340 -0.000 0.000 0.265 342 L C -1.308 175.632 176.870 0.116 0.000 1.168 342 L CA -1.640 53.303 54.840 0.171 0.000 0.815 342 L CB 0.806 43.018 42.059 0.256 0.000 1.109 342 L HN 0.366 nan 8.230 nan 0.000 0.462 343 P HA -0.014 nan 4.420 nan 0.000 0.262 343 P C 0.109 177.430 177.300 0.036 0.000 1.182 343 P CA 0.055 63.186 63.100 0.051 0.000 0.761 343 P CB 0.662 32.383 31.700 0.035 0.000 0.795 344 E N 2.041 122.255 120.200 0.024 0.000 2.136 344 E HA -0.280 4.070 4.350 -0.000 0.000 0.202 344 E C 1.199 177.790 176.600 -0.016 0.000 1.019 344 E CA 2.229 58.635 56.400 0.010 0.000 0.819 344 E CB -0.273 29.431 29.700 0.007 0.000 0.739 344 E HN 0.691 nan 8.360 nan 0.000 0.458 345 D N 0.273 120.658 120.400 -0.026 0.000 2.310 345 D HA -0.113 4.527 4.640 -0.000 0.000 0.212 345 D C 0.484 176.723 176.300 -0.102 0.000 0.965 345 D CA 0.566 54.534 54.000 -0.054 0.000 0.879 345 D CB -0.115 40.658 40.800 -0.044 0.000 0.921 345 D HN 0.094 nan 8.370 nan 0.000 0.510 346 L N 1.432 122.593 121.223 -0.104 0.000 2.312 346 L HA 0.259 4.599 4.340 -0.000 0.000 0.287 346 L C -0.112 176.563 176.870 -0.325 0.000 1.091 346 L CA -0.146 54.552 54.840 -0.237 0.000 0.846 346 L CB 0.564 42.565 42.059 -0.098 0.000 1.219 346 L HN 0.038 nan 8.230 nan 0.000 0.439 347 E N 3.479 123.409 120.200 -0.449 0.000 2.175 347 E HA 0.544 4.894 4.350 -0.000 0.000 0.278 347 E C -1.294 175.001 176.600 -0.508 0.000 0.969 347 E CA -0.455 55.752 56.400 -0.321 0.000 0.796 347 E CB 1.715 31.309 29.700 -0.178 0.000 1.104 347 E HN 0.210 nan 8.360 nan 0.000 0.395 348 F N 0.802 120.773 119.950 0.035 0.000 2.588 348 F HA 0.295 4.822 4.527 -0.000 0.000 0.314 348 F C 0.186 176.019 175.800 0.055 0.000 1.069 348 F CA -0.926 57.100 58.000 0.044 0.000 0.931 348 F CB 1.867 40.918 39.000 0.086 0.000 1.260 348 F HN 0.309 nan 8.300 nan 0.000 0.465 349 E N 1.911 122.288 120.200 0.294 0.000 2.197 349 E HA 0.467 4.816 4.350 -0.000 0.000 0.281 349 E C -1.111 175.705 176.600 0.360 0.000 0.995 349 E CA -0.513 56.048 56.400 0.268 0.000 0.808 349 E CB 1.045 30.879 29.700 0.223 0.000 1.093 349 E HN 0.480 nan 8.360 nan 0.000 0.394 350 L N 4.447 125.818 121.223 0.246 0.000 2.349 350 L HA 0.236 4.576 4.340 -0.000 0.000 0.275 350 L C -0.519 176.418 176.870 0.113 0.000 1.115 350 L CA -0.503 54.437 54.840 0.166 0.000 0.820 350 L CB 0.558 42.680 42.059 0.105 0.000 1.135 350 L HN 0.385 nan 8.230 nan 0.000 0.445 351 L N 4.113 125.356 121.223 0.034 0.000 2.345 351 L HA 0.328 4.668 4.340 -0.000 0.000 0.274 351 L C -0.598 176.202 176.870 -0.117 0.000 0.999 351 L CA 0.104 54.891 54.840 -0.089 0.000 0.849 351 L CB 1.170 43.127 42.059 -0.170 0.000 1.220 351 L HN 0.527 nan 8.230 nan 0.000 0.422 352 E N 6.579 126.712 120.200 -0.112 0.000 3.037 352 E HA 0.276 4.626 4.350 -0.000 0.000 0.220 352 E C -1.881 174.624 176.600 -0.159 0.000 1.142 352 E CA -1.383 54.941 56.400 -0.126 0.000 0.888 352 E CB 0.903 30.580 29.700 -0.038 0.000 1.329 352 E HN 0.465 nan 8.360 nan 0.000 0.409 353 P HA -0.094 nan 4.420 nan 0.000 0.226 353 P C 0.366 177.622 177.300 -0.072 0.000 1.153 353 P CA 0.880 63.799 63.100 -0.302 0.000 0.777 353 P CB 0.139 31.528 31.700 -0.517 0.000 0.794 354 F N 0.374 120.332 119.950 0.013 0.000 2.639 354 F HA 0.285 4.812 4.527 -0.000 0.000 0.302 354 F C 2.135 177.968 175.800 0.056 0.000 1.097 354 F CA -1.087 56.935 58.000 0.036 0.000 1.294 354 F CB -0.868 38.151 39.000 0.032 0.000 1.027 354 F HN -0.086 nan 8.300 nan 0.000 0.550 355 R N 0.656 121.271 120.500 0.192 0.000 2.249 355 R HA -0.080 4.260 4.340 -0.000 0.000 0.230 355 R C 0.701 177.132 176.300 0.219 0.000 1.121 355 R CA 1.453 57.653 56.100 0.166 0.000 0.997 355 R CB -0.578 29.791 30.300 0.115 0.000 0.867 355 R HN 0.350 nan 8.270 nan 0.000 0.465 356 L N 1.061 122.394 121.223 0.184 0.000 2.857 356 L HA 0.377 4.717 4.340 -0.000 0.000 0.249 356 L C 0.017 176.880 176.870 -0.012 0.000 1.172 356 L CA -0.360 54.508 54.840 0.047 0.000 0.980 356 L CB 0.274 42.400 42.059 0.112 0.000 1.299 356 L HN 0.060 nan 8.230 nan 0.000 0.535 357 L N -1.083 120.208 121.223 0.114 0.000 2.322 357 L HA 0.523 4.863 4.340 -0.000 0.000 0.269 357 L C -0.596 176.275 176.870 0.001 0.000 1.012 357 L CA -0.708 54.221 54.840 0.149 0.000 0.815 357 L CB 1.641 43.825 42.059 0.208 0.000 1.295 357 L HN -0.176 nan 8.230 nan 0.000 0.438 358 F N 0.333 120.412 119.950 0.215 0.000 2.403 358 F HA 0.270 4.797 4.527 -0.000 0.000 0.326 358 F C 1.212 177.076 175.800 0.107 0.000 1.081 358 F CA -0.400 57.703 58.000 0.173 0.000 1.041 358 F CB 0.995 40.091 39.000 0.160 0.000 1.234 358 F HN 0.401 nan 8.300 nan 0.000 0.503 359 K N 1.353 121.936 120.400 0.305 0.000 2.034 359 K HA -0.247 4.073 4.320 -0.000 0.000 0.214 359 K C 1.516 178.188 176.600 0.119 0.000 1.051 359 K CA 2.473 58.860 56.287 0.167 0.000 0.931 359 K CB -0.522 32.087 32.500 0.182 0.000 0.715 359 K HN 0.691 nan 8.250 nan 0.000 0.446 360 D N -0.077 120.415 120.400 0.154 0.000 2.218 360 D HA -0.177 4.463 4.640 -0.000 0.000 0.204 360 D C 1.207 177.552 176.300 0.075 0.000 0.976 360 D CA 1.334 55.393 54.000 0.099 0.000 0.853 360 D CB -0.402 40.450 40.800 0.087 0.000 0.939 360 D HN 0.572 nan 8.370 nan 0.000 0.481 361 E N 0.088 120.361 120.200 0.122 0.000 2.152 361 E HA -0.042 4.308 4.350 -0.000 0.000 0.192 361 E C 2.197 178.757 176.600 -0.068 0.000 0.983 361 E CA 0.490 56.937 56.400 0.077 0.000 0.818 361 E CB 0.203 30.034 29.700 0.219 0.000 0.758 361 E HN 0.169 nan 8.360 nan 0.000 0.467 362 V N 1.179 121.014 119.914 -0.131 0.000 2.453 362 V HA -0.196 3.923 4.120 -0.000 0.000 0.247 362 V C 2.168 178.142 176.094 -0.201 0.000 1.048 362 V CA 1.476 63.574 62.300 -0.337 0.000 1.049 362 V CB -0.409 31.135 31.823 -0.464 0.000 0.672 362 V HN 0.170 nan 8.190 nan 0.000 0.457 363 R N -0.032 120.413 120.500 -0.092 0.000 2.120 363 R HA -0.201 4.139 4.340 -0.000 0.000 0.234 363 R C 2.332 178.601 176.300 -0.053 0.000 1.123 363 R CA 1.561 57.632 56.100 -0.048 0.000 0.975 363 R CB -0.176 30.125 30.300 0.001 0.000 0.866 363 R HN 0.508 nan 8.270 nan 0.000 0.446 364 E N 1.112 121.277 120.200 -0.059 0.000 2.072 364 E HA -0.092 4.257 4.350 -0.000 0.000 0.190 364 E C 1.813 178.362 176.600 -0.085 0.000 0.982 364 E CA 1.031 57.395 56.400 -0.061 0.000 0.803 364 E CB -0.170 29.494 29.700 -0.059 0.000 0.755 364 E HN 0.220 nan 8.360 nan 0.000 0.453 365 L N -0.005 121.145 121.223 -0.122 0.000 2.083 365 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 365 L C 2.446 179.265 176.870 -0.085 0.000 1.083 365 L CA 1.022 55.789 54.840 -0.121 0.000 0.752 365 L CB -0.571 41.387 42.059 -0.169 0.000 0.899 365 L HN 0.233 nan 8.230 nan 0.000 0.433 366 A N -0.027 122.740 122.820 -0.087 0.000 1.940 366 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 366 A C 2.178 179.738 177.584 -0.039 0.000 1.176 366 A CA 1.620 53.625 52.037 -0.053 0.000 0.631 366 A CB -0.575 18.396 19.000 -0.048 0.000 0.814 366 A HN 0.342 nan 8.150 nan 0.000 0.446 367 L N -0.789 120.409 121.223 -0.043 0.000 2.017 367 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 367 L C 2.012 178.861 176.870 -0.035 0.000 1.073 367 L CA 1.759 56.578 54.840 -0.035 0.000 0.745 367 L CB -0.680 41.359 42.059 -0.034 0.000 0.894 367 L HN 0.254 nan 8.230 nan 0.000 0.432 368 L N -0.832 120.365 121.223 -0.043 0.000 2.291 368 L HA -0.086 4.254 4.340 -0.000 0.000 0.214 368 L C 2.178 179.029 176.870 -0.032 0.000 1.120 368 L CA 1.223 56.039 54.840 -0.040 0.000 0.799 368 L CB -0.701 41.327 42.059 -0.052 0.000 0.925 368 L HN 0.228 nan 8.230 nan 0.000 0.446 369 L N -0.904 120.302 121.223 -0.029 0.000 2.599 369 L HA 0.186 4.526 4.340 -0.000 0.000 0.230 369 L C 1.383 178.243 176.870 -0.017 0.000 1.141 369 L CA 0.583 55.412 54.840 -0.019 0.000 0.877 369 L CB -0.448 41.605 42.059 -0.010 0.000 1.009 369 L HN 0.491 nan 8.230 nan 0.000 0.447 370 G N 0.725 109.513 108.800 -0.020 0.000 2.132 370 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.234 370 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.234 370 G C -0.111 174.778 174.900 -0.019 0.000 0.989 370 G CA -0.127 44.962 45.100 -0.018 0.000 0.676 370 G HN 0.171 nan 8.290 nan 0.000 0.522 371 L N 2.796 124.008 121.223 -0.019 0.000 2.360 371 L HA 0.575 4.915 4.340 -0.000 0.000 0.276 371 L C -1.189 175.667 176.870 -0.024 0.000 1.121 371 L CA -1.895 52.933 54.840 -0.019 0.000 0.845 371 L CB 0.285 42.334 42.059 -0.016 0.000 1.143 371 L HN 0.066 nan 8.230 nan 0.000 0.452 372 P HA 0.097 nan 4.420 nan 0.000 0.275 372 P C -0.397 176.882 177.300 -0.035 0.000 1.228 372 P CA -0.278 62.803 63.100 -0.033 0.000 0.786 372 P CB 0.789 32.466 31.700 -0.038 0.000 0.927 373 D N 0.741 121.118 120.400 -0.037 0.000 2.228 373 D HA -0.152 4.488 4.640 -0.000 0.000 0.203 373 D C 1.894 178.160 176.300 -0.056 0.000 0.988 373 D CA 2.045 56.022 54.000 -0.038 0.000 0.864 373 D CB -0.765 40.012 40.800 -0.039 0.000 0.928 373 D HN 0.528 nan 8.370 nan 0.000 0.469 374 T N -1.328 113.184 114.554 -0.070 0.000 2.737 374 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 374 T C 1.709 176.360 174.700 -0.082 0.000 1.040 374 T CA 0.857 62.900 62.100 -0.095 0.000 1.142 374 T CB -0.104 68.709 68.868 -0.091 0.000 0.861 374 T HN 0.035 nan 8.240 nan 0.000 0.456 375 L N 0.021 121.212 121.223 -0.053 0.000 2.425 375 L HA 0.471 4.811 4.340 -0.000 0.000 0.215 375 L C 2.642 179.508 176.870 -0.007 0.000 1.065 375 L CA 0.672 55.493 54.840 -0.032 0.000 0.842 375 L CB -1.085 40.957 42.059 -0.029 0.000 1.033 375 L HN 0.194 nan 8.230 nan 0.000 0.474 376 R N -0.029 120.465 120.500 -0.010 0.000 2.120 376 R HA -0.060 4.279 4.340 -0.000 0.000 0.234 376 R C 1.296 177.611 176.300 0.025 0.000 1.123 376 R CA 1.171 57.273 56.100 0.002 0.000 0.975 376 R CB 0.073 30.367 30.300 -0.009 0.000 0.866 376 R HN 0.276 nan 8.270 nan 0.000 0.446 377 L N 1.468 122.707 121.223 0.028 0.000 2.728 377 L HA 0.212 4.552 4.340 -0.000 0.000 0.238 377 L C 0.305 177.252 176.870 0.127 0.000 1.143 377 L CA -0.476 54.407 54.840 0.071 0.000 0.937 377 L CB 0.119 42.211 42.059 0.055 0.000 1.225 377 L HN 0.126 nan 8.230 nan 0.000 0.507 378 R N -0.576 119.981 120.500 0.094 0.000 2.679 378 R HA 0.202 4.542 4.340 -0.000 0.000 0.269 378 R C -0.561 175.872 176.300 0.222 0.000 1.076 378 R CA -0.442 55.742 56.100 0.140 0.000 1.160 378 R CB 0.311 30.646 30.300 0.060 0.000 1.054 378 R HN 0.189 nan 8.270 nan 0.000 0.507 379 H N 0.634 119.847 119.070 0.238 0.000 2.607 379 H HA 0.181 4.737 4.556 -0.000 0.000 0.367 379 H C -1.837 173.557 175.328 0.110 0.000 1.181 379 H CA -1.836 54.273 56.048 0.102 0.000 1.402 379 H CB 0.497 30.258 29.762 -0.001 0.000 1.474 379 H HN 0.496 nan 8.280 nan 0.000 0.596 380 P HA -0.022 nan 4.420 nan 0.000 0.269 380 P C -1.230 176.176 177.300 0.176 0.000 1.209 380 P CA 0.309 63.445 63.100 0.060 0.000 0.776 380 P CB 0.427 32.004 31.700 -0.206 0.000 0.876 381 F N 3.252 123.191 119.950 -0.018 0.000 2.561 381 F HA 0.463 4.989 4.527 -0.000 0.000 0.313 381 F C -2.384 173.397 175.800 -0.031 0.000 1.126 381 F CA -2.561 55.440 58.000 0.003 0.000 0.918 381 F CB 1.379 40.403 39.000 0.041 0.000 1.199 381 F HN 0.234 nan 8.300 nan 0.000 0.444 382 P HA 0.236 nan 4.420 nan 0.000 0.274 382 P C 0.548 177.653 177.300 -0.324 0.000 1.231 382 P CA -0.062 62.799 63.100 -0.397 0.000 0.790 382 P CB 1.242 32.715 31.700 -0.379 0.000 0.951 383 G N 2.724 111.403 108.800 -0.201 0.000 2.476 383 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 383 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 383 G C -0.752 174.119 174.900 -0.049 0.000 1.164 383 G CA 0.547 45.551 45.100 -0.160 0.000 0.768 383 G HN 0.536 nan 8.290 nan 0.000 0.560 384 P HA 0.102 nan 4.420 nan 0.000 0.249 384 P C 1.574 178.740 177.300 -0.223 0.000 1.241 384 P CA 0.929 63.966 63.100 -0.104 0.000 0.781 384 P CB -0.232 31.419 31.700 -0.081 0.000 1.088 385 G N 2.006 110.626 108.800 -0.300 0.000 2.632 385 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.322 385 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.322 385 G C 0.967 175.705 174.900 -0.270 0.000 1.326 385 G CA 0.522 45.368 45.100 -0.423 0.000 0.986 385 G HN 0.291 nan 8.290 nan 0.000 0.541 386 L N 1.230 122.447 121.223 -0.011 0.000 2.450 386 L HA 0.025 4.365 4.340 -0.000 0.000 0.224 386 L C 3.307 180.146 176.870 -0.050 0.000 1.149 386 L CA 1.293 56.142 54.840 0.016 0.000 0.816 386 L CB -0.822 41.281 42.059 0.072 0.000 0.932 386 L HN 0.689 nan 8.230 nan 0.000 0.449 387 A N 0.398 123.161 122.820 -0.095 0.000 1.969 387 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 387 A C 2.025 179.584 177.584 -0.041 0.000 1.169 387 A CA 1.609 53.608 52.037 -0.063 0.000 0.635 387 A CB -0.534 18.426 19.000 -0.066 0.000 0.810 387 A HN 0.342 nan 8.150 nan 0.000 0.445 388 V N -3.876 116.001 119.914 -0.063 0.000 3.577 388 V HA 0.293 4.413 4.120 -0.000 0.000 0.294 388 V C 1.023 177.110 176.094 -0.013 0.000 1.317 388 V CA 0.432 62.713 62.300 -0.033 0.000 1.169 388 V CB -0.765 31.026 31.823 -0.053 0.000 1.011 388 V HN 0.454 nan 8.190 nan 0.000 0.426 389 R N 0.756 121.240 120.500 -0.026 0.000 2.565 389 R HA 0.382 4.722 4.340 -0.000 0.000 0.347 389 R C -0.125 176.148 176.300 -0.044 0.000 1.010 389 R CA 0.321 56.402 56.100 -0.032 0.000 1.126 389 R CB 1.659 31.941 30.300 -0.029 0.000 1.331 389 R HN 0.566 nan 8.270 nan 0.000 0.552 390 V N -1.247 118.657 119.914 -0.017 0.000 2.407 390 V HA 0.448 4.568 4.120 -0.000 0.000 0.291 390 V C -0.128 175.985 176.094 0.033 0.000 1.018 390 V CA -0.910 61.382 62.300 -0.012 0.000 0.842 390 V CB 1.634 33.446 31.823 -0.019 0.000 0.996 390 V HN 0.087 nan 8.190 nan 0.000 0.426 391 L N 6.752 128.012 121.223 0.061 0.000 2.448 391 L HA 0.704 5.044 4.340 -0.000 0.000 0.278 391 L C 1.075 177.996 176.870 0.085 0.000 1.201 391 L CA 1.089 55.988 54.840 0.099 0.000 1.036 391 L CB -0.325 41.824 42.059 0.150 0.000 1.325 391 L HN 1.236 nan 8.230 nan 0.000 0.441 392 G N 2.281 111.121 108.800 0.066 0.000 2.302 392 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.276 392 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.276 392 G C -1.040 173.889 174.900 0.049 0.000 1.316 392 G CA -0.836 44.300 45.100 0.060 0.000 0.988 392 G HN 0.397 nan 8.290 nan 0.000 0.479 393 E N -0.556 119.673 120.200 0.049 0.000 2.413 393 E HA 0.351 4.701 4.350 -0.000 0.000 0.263 393 E C 0.012 176.635 176.600 0.039 0.000 1.015 393 E CA -0.246 56.179 56.400 0.042 0.000 0.916 393 E CB 0.808 30.534 29.700 0.043 0.000 0.947 393 E HN 0.384 nan 8.360 nan 0.000 0.440 394 V N 5.204 125.137 119.914 0.031 0.000 2.368 394 V HA 0.167 4.287 4.120 -0.000 0.000 0.266 394 V C 0.479 176.589 176.094 0.026 0.000 1.045 394 V CA -0.164 62.150 62.300 0.022 0.000 0.899 394 V CB 0.666 32.500 31.823 0.018 0.000 1.006 394 V HN 0.789 nan 8.190 nan 0.000 0.470 395 T N 0.474 115.041 114.554 0.022 0.000 2.930 395 T HA 0.461 4.811 4.350 -0.000 0.000 0.290 395 T C 0.747 175.456 174.700 0.015 0.000 1.052 395 T CA -0.548 61.568 62.100 0.026 0.000 1.017 395 T CB 2.180 71.069 68.868 0.036 0.000 1.137 395 T HN 0.410 nan 8.240 nan 0.000 0.511 396 E N 0.527 120.740 120.200 0.022 0.000 2.110 396 E HA -0.173 4.176 4.350 -0.000 0.000 0.193 396 E C 1.837 178.440 176.600 0.005 0.000 0.988 396 E CA 1.859 58.269 56.400 0.017 0.000 0.804 396 E CB -0.243 29.472 29.700 0.025 0.000 0.745 396 E HN 0.849 nan 8.360 nan 0.000 0.458 397 E N -0.152 120.054 120.200 0.010 0.000 2.072 397 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 397 E C 2.162 178.736 176.600 -0.042 0.000 0.985 397 E CA 0.884 57.286 56.400 0.002 0.000 0.801 397 E CB -0.021 29.698 29.700 0.032 0.000 0.750 397 E HN 0.167 nan 8.360 nan 0.000 0.452 398 R N 0.059 120.526 120.500 -0.055 0.000 2.096 398 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 398 R C 2.568 178.789 176.300 -0.132 0.000 1.127 398 R CA 1.100 57.110 56.100 -0.150 0.000 0.968 398 R CB -0.210 30.028 30.300 -0.104 0.000 0.861 398 R HN 0.257 nan 8.270 nan 0.000 0.440 399 L N 0.467 121.650 121.223 -0.066 0.000 2.093 399 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 399 L C 2.673 179.517 176.870 -0.043 0.000 1.085 399 L CA 1.022 55.834 54.840 -0.046 0.000 0.755 399 L CB -0.368 41.680 42.059 -0.019 0.000 0.904 399 L HN 0.199 nan 8.230 nan 0.000 0.435 400 E N 0.721 120.898 120.200 -0.039 0.000 2.110 400 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 400 E C 2.168 178.739 176.600 -0.047 0.000 0.988 400 E CA 1.317 57.699 56.400 -0.029 0.000 0.804 400 E CB 0.012 29.701 29.700 -0.017 0.000 0.745 400 E HN 0.516 nan 8.360 nan 0.000 0.458 401 I N 0.305 120.822 120.570 -0.088 0.000 2.233 401 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 401 I C 2.520 178.573 176.117 -0.108 0.000 1.093 401 I CA 0.424 61.654 61.300 -0.117 0.000 1.380 401 I CB -0.224 37.637 38.000 -0.232 0.000 1.067 401 I HN 0.115 nan 8.210 nan 0.000 0.413 402 L N 0.943 122.094 121.223 -0.120 0.000 2.093 402 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 402 L C 2.578 179.433 176.870 -0.025 0.000 1.085 402 L CA 1.709 56.499 54.840 -0.082 0.000 0.755 402 L CB -0.609 41.401 42.059 -0.081 0.000 0.904 402 L HN 0.056 nan 8.230 nan 0.000 0.435 403 R N -0.805 119.685 120.500 -0.018 0.000 2.091 403 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 403 R C 2.399 178.703 176.300 0.005 0.000 1.136 403 R CA 1.707 57.808 56.100 0.002 0.000 0.959 403 R CB -0.268 30.030 30.300 -0.002 0.000 0.856 403 R HN 0.409 nan 8.270 nan 0.000 0.437 404 R N -0.082 120.414 120.500 -0.006 0.000 2.066 404 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 404 R C 2.342 178.652 176.300 0.016 0.000 1.131 404 R CA 1.332 57.433 56.100 0.001 0.000 0.955 404 R CB -0.313 29.982 30.300 -0.008 0.000 0.851 404 R HN 0.187 nan 8.270 nan 0.000 0.432 405 A N 1.198 124.022 122.820 0.006 0.000 1.902 405 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 405 A C 1.791 179.423 177.584 0.081 0.000 1.181 405 A CA 1.978 54.026 52.037 0.018 0.000 0.623 405 A CB -0.622 18.363 19.000 -0.026 0.000 0.818 405 A HN 0.383 nan 8.150 nan 0.000 0.443 406 D N -0.465 119.988 120.400 0.088 0.000 2.123 406 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 406 D C 1.627 178.030 176.300 0.172 0.000 0.992 406 D CA 1.663 55.764 54.000 0.167 0.000 0.833 406 D CB -0.190 40.686 40.800 0.127 0.000 0.954 406 D HN 0.474 nan 8.370 nan 0.000 0.455 407 D N -0.595 119.860 120.400 0.092 0.000 2.097 407 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 407 D C 2.083 178.430 176.300 0.079 0.000 0.989 407 D CA 1.163 55.196 54.000 0.055 0.000 0.827 407 D CB -0.203 40.608 40.800 0.018 0.000 0.966 407 D HN 0.357 nan 8.370 nan 0.000 0.456 408 I N -0.305 120.323 120.570 0.096 0.000 2.226 408 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 408 I C 1.993 178.236 176.117 0.209 0.000 1.100 408 I CA 0.540 61.904 61.300 0.107 0.000 1.374 408 I CB -0.292 37.756 38.000 0.080 0.000 1.057 408 I HN 0.092 nan 8.210 nan 0.000 0.413 409 F N 1.618 121.614 119.950 0.077 0.000 2.102 409 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 409 F C 2.587 178.515 175.800 0.213 0.000 1.105 409 F CA 1.911 60.001 58.000 0.150 0.000 1.239 409 F CB -0.959 38.132 39.000 0.152 0.000 0.991 409 F HN -0.053 nan 8.300 nan 0.000 0.474 410 T N -0.432 114.191 114.554 0.116 0.000 2.746 410 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 410 T C 2.263 176.957 174.700 -0.010 0.000 1.039 410 T CA 1.715 63.822 62.100 0.011 0.000 1.142 410 T CB -0.386 68.509 68.868 0.045 0.000 0.866 410 T HN 0.233 nan 8.240 nan 0.000 0.444 411 S N 1.088 116.791 115.700 0.005 0.000 2.368 411 S HA 0.094 4.564 4.470 -0.000 0.000 0.224 411 S C 2.011 176.600 174.600 -0.019 0.000 1.029 411 S CA 0.716 58.891 58.200 -0.042 0.000 0.988 411 S CB -0.361 62.815 63.200 -0.039 0.000 0.838 411 S HN 0.340 nan 8.310 nan 0.000 0.462 412 L N 0.997 122.274 121.223 0.089 0.000 2.056 412 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 412 L C 2.202 179.265 176.870 0.321 0.000 1.078 412 L CA 0.957 55.906 54.840 0.180 0.000 0.749 412 L CB -0.494 41.743 42.059 0.297 0.000 0.901 412 L HN 0.293 nan 8.230 nan 0.000 0.433 413 L N -0.716 120.672 121.223 0.274 0.000 2.042 413 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 413 L C 2.813 179.713 176.870 0.051 0.000 1.076 413 L CA 1.378 56.262 54.840 0.073 0.000 0.749 413 L CB -0.441 41.588 42.059 -0.049 0.000 0.893 413 L HN 0.214 nan 8.230 nan 0.000 0.432 414 R N -0.417 120.081 120.500 -0.004 0.000 2.090 414 R HA -0.175 4.165 4.340 -0.000 0.000 0.228 414 R C 2.211 178.448 176.300 -0.106 0.000 1.110 414 R CA 1.299 57.345 56.100 -0.090 0.000 0.973 414 R CB -0.237 29.926 30.300 -0.228 0.000 0.869 414 R HN 0.403 nan 8.270 nan 0.000 0.440 415 E N 0.192 120.286 120.200 -0.177 0.000 2.077 415 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 415 E C 0.734 177.135 176.600 -0.330 0.000 0.989 415 E CA 1.132 57.315 56.400 -0.361 0.000 0.800 415 E CB -0.018 29.321 29.700 -0.603 0.000 0.746 415 E HN 0.430 nan 8.360 nan 0.000 0.452 416 W N 0.130 121.470 121.300 0.066 0.000 3.391 416 W HA 0.287 4.947 4.660 0.000 0.000 0.372 416 W C 1.066 177.566 176.519 -0.033 0.000 1.171 416 W CA -0.086 57.282 57.345 0.038 0.000 1.862 416 W CB 0.506 30.029 29.460 0.104 0.000 1.048 416 W HN 0.281 nan 8.180 nan 0.000 0.726 417 G N 0.928 109.816 108.800 0.145 0.000 2.187 417 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.261 417 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.261 417 G C 0.646 175.573 174.900 0.044 0.000 1.000 417 G CA 0.741 45.890 45.100 0.082 0.000 0.718 417 G HN 0.423 nan 8.290 nan 0.000 0.519 418 L N -1.799 119.425 121.223 0.001 0.000 2.416 418 L HA 0.192 4.532 4.340 -0.000 0.000 0.216 418 L C 2.289 179.142 176.870 -0.028 0.000 1.098 418 L CA 0.587 55.371 54.840 -0.093 0.000 0.840 418 L CB -0.293 41.563 42.059 -0.338 0.000 0.981 418 L HN 0.316 nan 8.230 nan 0.000 0.462 419 Y N 2.058 122.302 120.300 -0.093 0.000 2.114 419 Y HA -0.342 4.208 4.550 -0.000 0.000 0.282 419 Y C 2.628 178.567 175.900 0.065 0.000 1.165 419 Y CA 2.247 60.319 58.100 -0.046 0.000 1.148 419 Y CB 0.003 38.378 38.460 -0.142 0.000 0.972 419 Y HN 0.334 nan 8.280 nan 0.000 0.504 420 E N -0.127 120.192 120.200 0.198 0.000 2.516 420 E HA -0.125 4.225 4.350 -0.000 0.000 0.199 420 E C 1.083 177.718 176.600 0.058 0.000 1.069 420 E CA 0.699 57.188 56.400 0.148 0.000 0.876 420 E CB -0.201 29.573 29.700 0.123 0.000 0.843 420 E HN 0.464 nan 8.360 nan 0.000 0.530 421 K N 1.230 121.636 120.400 0.011 0.000 2.374 421 K HA 0.128 4.448 4.320 -0.000 0.000 0.196 421 K C 0.651 177.207 176.600 -0.072 0.000 1.023 421 K CA 0.302 56.567 56.287 -0.037 0.000 1.103 421 K CB 1.209 33.678 32.500 -0.052 0.000 0.848 421 K HN 0.141 nan 8.250 nan 0.000 0.528 422 V N -4.247 115.611 119.914 -0.094 0.000 2.962 422 V HA 0.609 4.729 4.120 -0.000 0.000 0.313 422 V C 0.696 176.608 176.094 -0.304 0.000 1.099 422 V CA -0.819 61.382 62.300 -0.164 0.000 0.971 422 V CB 1.754 33.488 31.823 -0.148 0.000 1.028 422 V HN -0.091 nan 8.190 nan 0.000 0.430 423 A N 1.462 124.110 122.820 -0.285 0.000 2.021 423 A HA 0.309 4.629 4.320 -0.000 0.000 0.216 423 A C 0.891 178.223 177.584 -0.421 0.000 1.163 423 A CA 1.336 53.222 52.037 -0.252 0.000 0.676 423 A CB -0.148 18.729 19.000 -0.206 0.000 0.818 423 A HN 1.115 nan 8.150 nan 0.000 0.453 424 Q N -2.260 117.277 119.800 -0.439 0.000 2.438 424 Q HA 0.573 4.913 4.340 -0.000 0.000 0.272 424 Q C -1.853 174.077 176.000 -0.117 0.000 0.994 424 Q CA -0.268 55.333 55.803 -0.338 0.000 0.887 424 Q CB 1.636 30.410 28.738 0.060 0.000 1.432 424 Q HN 0.494 nan 8.270 nan 0.000 0.392 425 A N 2.384 125.227 122.820 0.039 0.000 2.498 425 A HA 0.935 5.255 4.320 -0.000 0.000 0.298 425 A C -1.703 176.072 177.584 0.318 0.000 1.075 425 A CA -0.520 51.642 52.037 0.209 0.000 0.714 425 A CB 1.243 20.284 19.000 0.067 0.000 1.299 425 A HN 0.838 nan 8.150 nan 0.000 0.407 426 L N -2.024 119.461 121.223 0.436 0.000 2.710 426 L HA 0.974 5.314 4.340 -0.000 0.000 0.260 426 L C -0.539 176.478 176.870 0.246 0.000 0.993 426 L CA -0.570 54.471 54.840 0.335 0.000 0.877 426 L CB 1.352 43.532 42.059 0.201 0.000 1.461 426 L HN 1.412 nan 8.230 nan 0.000 0.413 427 A N 0.967 123.864 122.820 0.128 0.000 2.365 427 A HA 0.944 5.264 4.320 -0.000 0.000 0.318 427 A C -1.096 176.394 177.584 -0.158 0.000 1.091 427 A CA -0.752 51.248 52.037 -0.061 0.000 0.763 427 A CB 1.921 20.909 19.000 -0.020 0.000 1.248 427 A HN 0.840 nan 8.150 nan 0.000 0.442 428 V N 2.607 122.320 119.914 -0.335 0.000 2.531 428 V HA 0.389 4.509 4.120 -0.000 0.000 0.301 428 V C -0.775 175.131 176.094 -0.312 0.000 1.034 428 V CA -0.512 61.554 62.300 -0.389 0.000 0.865 428 V CB 1.407 32.750 31.823 -0.800 0.000 0.995 428 V HN 0.813 nan 8.190 nan 0.000 0.424 429 L N 4.689 125.800 121.223 -0.186 0.000 2.265 429 L HA 0.615 4.955 4.340 -0.000 0.000 0.288 429 L C 0.294 177.141 176.870 -0.039 0.000 1.058 429 L CA 0.816 55.575 54.840 -0.135 0.000 0.809 429 L CB 1.414 43.365 42.059 -0.181 0.000 1.179 429 L HN 0.764 nan 8.230 nan 0.000 0.429 430 T N 6.974 121.553 114.554 0.041 0.000 2.842 430 T HA 0.425 4.775 4.350 -0.000 0.000 0.308 430 T C -2.529 172.317 174.700 0.242 0.000 1.041 430 T CA -1.082 61.094 62.100 0.126 0.000 0.964 430 T CB 1.166 70.100 68.868 0.110 0.000 0.972 430 T HN 0.381 nan 8.240 nan 0.000 0.460 431 P HA 0.284 nan 4.420 nan 0.000 0.268 431 P C -0.509 176.801 177.300 0.016 0.000 1.205 431 P CA -0.265 62.957 63.100 0.204 0.000 0.771 431 P CB 0.713 32.547 31.700 0.223 0.000 0.858 446 Y N 0.399 120.695 120.300 -0.006 0.000 2.524 446 Y HA 0.672 5.222 4.550 -0.000 0.000 0.347 446 Y C -0.083 175.806 175.900 -0.019 0.000 1.005 446 Y CA -1.091 57.002 58.100 -0.012 0.000 1.025 446 Y CB 2.797 41.246 38.460 -0.017 0.000 1.275 446 Y HN 0.434 nan 8.280 nan 0.000 0.460 447 V N 4.157 124.164 119.914 0.155 0.000 2.448 447 V HA 0.437 4.557 4.120 -0.000 0.000 0.295 447 V C -0.900 175.202 176.094 0.013 0.000 1.025 447 V CA -0.739 61.599 62.300 0.064 0.000 0.859 447 V CB 1.800 33.654 31.823 0.052 0.000 0.988 447 V HN 0.589 nan 8.190 nan 0.000 0.431 448 L N 4.722 125.922 121.223 -0.038 0.000 2.307 448 L HA 0.881 5.221 4.340 -0.000 0.000 0.284 448 L C 0.251 177.010 176.870 -0.184 0.000 1.023 448 L CA -0.003 54.764 54.840 -0.122 0.000 0.810 448 L CB 1.470 43.463 42.059 -0.110 0.000 1.231 448 L HN 0.743 nan 8.230 nan 0.000 0.423 449 A N 6.376 128.995 122.820 -0.334 0.000 2.271 449 A HA 0.622 4.942 4.320 -0.000 0.000 0.317 449 A C -0.788 176.584 177.584 -0.353 0.000 1.245 449 A CA -0.582 51.219 52.037 -0.393 0.000 0.857 449 A CB 0.281 18.753 19.000 -0.879 0.000 1.175 449 A HN 0.723 nan 8.150 nan 0.000 0.512 450 L N 1.984 123.077 121.223 -0.217 0.000 2.350 450 L HA 0.715 5.055 4.340 -0.000 0.000 0.275 450 L C 0.371 177.220 176.870 -0.035 0.000 1.099 450 L CA -0.583 54.111 54.840 -0.245 0.000 0.808 450 L CB 1.211 43.089 42.059 -0.302 0.000 1.149 450 L HN 0.844 nan 8.230 nan 0.000 0.442 451 R N 2.818 123.390 120.500 0.120 0.000 2.508 451 R HA 0.750 5.090 4.340 -0.000 0.000 0.283 451 R C -1.971 174.552 176.300 0.371 0.000 1.120 451 R CA -0.253 55.931 56.100 0.140 0.000 0.958 451 R CB 1.699 32.048 30.300 0.081 0.000 1.215 451 R HN 0.683 nan 8.270 nan 0.000 0.427 452 A N 3.183 126.230 122.820 0.378 0.000 2.486 452 A HA 0.783 5.103 4.320 -0.000 0.000 0.300 452 A C -1.149 176.589 177.584 0.256 0.000 1.048 452 A CA -0.136 52.111 52.037 0.350 0.000 0.696 452 A CB 1.623 20.890 19.000 0.445 0.000 1.278 452 A HN 1.165 nan 8.150 nan 0.000 0.405 453 V N -1.207 118.789 119.914 0.136 0.000 3.160 453 V HA 0.986 5.105 4.120 -0.000 0.000 0.310 453 V C -0.343 175.731 176.094 -0.033 0.000 1.181 453 V CA -0.191 62.157 62.300 0.080 0.000 1.047 453 V CB 1.590 33.464 31.823 0.086 0.000 1.068 453 V HN 1.530 nan 8.190 nan 0.000 0.441 454 T N -0.922 113.580 114.554 -0.087 0.000 2.841 454 T HA 0.905 5.254 4.350 -0.000 0.000 0.283 454 T C -0.378 174.185 174.700 -0.229 0.000 1.000 454 T CA -0.435 61.566 62.100 -0.164 0.000 0.977 454 T CB 1.556 70.330 68.868 -0.157 0.000 0.979 454 T HN 1.299 nan 8.240 nan 0.000 0.446 455 T N 1.272 115.623 114.554 -0.338 0.000 2.722 455 T HA 0.353 4.702 4.350 -0.000 0.000 0.314 455 T C 0.246 174.660 174.700 -0.478 0.000 1.675 455 T CA -0.744 61.094 62.100 -0.437 0.000 1.003 455 T CB 2.317 70.775 68.868 -0.683 0.000 1.602 455 T HN 0.788 nan 8.240 nan 0.000 0.496 456 E N 0.037 120.002 120.200 -0.392 0.000 2.367 456 E HA 0.063 4.413 4.350 -0.000 0.000 0.204 456 E C 0.809 177.268 176.600 -0.236 0.000 0.840 456 E CA 0.468 56.701 56.400 -0.278 0.000 1.051 456 E CB 0.400 29.987 29.700 -0.188 0.000 1.051 456 E HN 0.628 nan 8.360 nan 0.000 0.509 457 D N -0.859 119.420 120.400 -0.202 0.000 2.474 457 D HA 0.031 4.671 4.640 -0.000 0.000 0.213 457 D C 0.117 176.466 176.300 0.083 0.000 1.120 457 D CA -0.375 53.618 54.000 -0.012 0.000 0.836 457 D CB -0.153 40.640 40.800 -0.011 0.000 1.019 457 D HN 0.134 nan 8.370 nan 0.000 0.507 461 A N 1.960 124.766 122.820 -0.024 0.000 2.574 461 A HA 0.829 5.148 4.320 -0.000 0.000 0.297 461 A C -1.750 175.835 177.584 0.002 0.000 1.062 461 A CA -0.862 51.147 52.037 -0.046 0.000 0.686 461 A CB 1.766 20.751 19.000 -0.024 0.000 1.285 461 A HN 0.839 nan 8.150 nan 0.000 0.403 462 D N 1.876 122.260 120.400 -0.026 0.000 2.248 462 D HA 0.547 5.187 4.640 -0.000 0.000 0.246 462 D C 0.053 176.383 176.300 0.048 0.000 1.027 462 D CA 0.054 54.052 54.000 -0.003 0.000 0.853 462 D CB 0.946 41.674 40.800 -0.120 0.000 1.243 462 D HN 0.603 nan 8.370 nan 0.000 0.462 463 W N 1.611 122.921 121.300 0.017 0.000 2.193 463 W HA 0.502 5.162 4.660 -0.000 0.000 0.338 463 W C -0.592 175.984 176.519 0.094 0.000 1.310 463 W CA -1.253 56.117 57.345 0.042 0.000 1.243 463 W CB -0.300 29.171 29.460 0.018 0.000 1.165 463 W HN 0.279 nan 8.180 nan 0.000 0.566 464 A N 5.384 128.355 122.820 0.251 0.000 2.409 464 A HA 0.338 4.658 4.320 -0.000 0.000 0.262 464 A C 0.469 178.135 177.584 0.137 0.000 1.113 464 A CA -0.720 51.379 52.037 0.103 0.000 0.790 464 A CB 0.151 19.259 19.000 0.181 0.000 1.046 464 A HN 0.664 nan 8.150 nan 0.000 0.496 465 R N 3.240 123.634 120.500 -0.175 0.000 3.235 465 R HA 0.251 4.591 4.340 -0.000 0.000 0.232 465 R C -0.896 175.399 176.300 -0.009 0.000 1.475 465 R CA -0.127 55.880 56.100 -0.154 0.000 1.405 465 R CB -0.153 29.926 30.300 -0.369 0.000 1.266 465 R HN 0.645 nan 8.270 nan 0.000 0.650 466 L N 2.917 124.179 121.223 0.065 0.000 2.439 466 L HA 0.220 4.560 4.340 -0.000 0.000 0.269 466 L C -1.757 175.139 176.870 0.045 0.000 1.179 466 L CA -1.976 52.872 54.840 0.013 0.000 0.828 466 L CB 0.085 42.166 42.059 0.037 0.000 1.106 466 L HN 0.091 nan 8.230 nan 0.000 0.467 467 P HA -0.018 nan 4.420 nan 0.000 0.265 467 P C 0.705 178.061 177.300 0.094 0.000 1.187 467 P CA 0.068 63.202 63.100 0.056 0.000 0.766 467 P CB 0.526 32.244 31.700 0.031 0.000 0.820 468 L N 1.711 122.967 121.223 0.055 0.000 2.083 468 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 468 L C 2.277 179.163 176.870 0.025 0.000 1.083 468 L CA 1.454 56.320 54.840 0.043 0.000 0.752 468 L CB -0.527 41.555 42.059 0.038 0.000 0.899 468 L HN 0.539 nan 8.230 nan 0.000 0.433 469 E N 0.276 120.484 120.200 0.014 0.000 2.106 469 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 469 E C 2.126 178.718 176.600 -0.013 0.000 0.984 469 E CA 1.255 57.643 56.400 -0.020 0.000 0.806 469 E CB -0.053 29.609 29.700 -0.063 0.000 0.750 469 E HN 0.445 nan 8.360 nan 0.000 0.458 470 F N 1.246 121.154 119.950 -0.070 0.000 2.146 470 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 470 F C 2.141 177.973 175.800 0.054 0.000 1.096 470 F CA 1.024 59.023 58.000 -0.000 0.000 1.275 470 F CB -0.268 38.744 39.000 0.019 0.000 1.008 470 F HN -0.053 nan 8.300 nan 0.000 0.480 471 L N 0.154 121.357 121.223 -0.033 0.000 2.083 471 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 471 L C 2.133 178.912 176.870 -0.151 0.000 1.083 471 L CA 1.877 56.643 54.840 -0.123 0.000 0.752 471 L CB -0.886 41.128 42.059 -0.076 0.000 0.899 471 L HN 0.207 nan 8.230 nan 0.000 0.433 472 D N 0.048 120.388 120.400 -0.100 0.000 2.117 472 D HA -0.263 4.377 4.640 -0.000 0.000 0.197 472 D C 2.119 178.362 176.300 -0.096 0.000 0.987 472 D CA 1.343 55.299 54.000 -0.074 0.000 0.829 472 D CB 0.145 40.920 40.800 -0.042 0.000 0.961 472 D HN 0.308 nan 8.370 nan 0.000 0.460 473 E N -0.417 119.702 120.200 -0.134 0.000 2.077 473 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 473 E C 2.015 178.525 176.600 -0.150 0.000 0.989 473 E CA 1.040 57.378 56.400 -0.103 0.000 0.800 473 E CB -0.228 29.448 29.700 -0.038 0.000 0.746 473 E HN 0.317 nan 8.360 nan 0.000 0.452 474 A N 1.222 123.857 122.820 -0.309 0.000 1.908 474 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 474 A C 2.402 179.918 177.584 -0.113 0.000 1.181 474 A CA 1.948 53.857 52.037 -0.214 0.000 0.627 474 A CB -0.813 18.031 19.000 -0.260 0.000 0.818 474 A HN 0.437 nan 8.150 nan 0.000 0.445 475 A N -0.489 122.263 122.820 -0.114 0.000 1.930 475 A HA -0.100 4.219 4.320 -0.000 0.000 0.217 475 A C 2.252 179.809 177.584 -0.044 0.000 1.175 475 A CA 1.360 53.354 52.037 -0.071 0.000 0.627 475 A CB -0.404 18.562 19.000 -0.056 0.000 0.815 475 A HN 0.541 nan 8.150 nan 0.000 0.443 476 R N -0.995 119.481 120.500 -0.040 0.000 2.066 476 R HA -0.087 4.252 4.340 -0.000 0.000 0.232 476 R C 2.524 178.816 176.300 -0.013 0.000 1.131 476 R CA 1.542 57.629 56.100 -0.021 0.000 0.955 476 R CB -0.285 30.006 30.300 -0.014 0.000 0.851 476 R HN 0.552 nan 8.270 nan 0.000 0.432 477 R N 0.956 121.447 120.500 -0.015 0.000 2.081 477 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 477 R C 2.156 178.455 176.300 -0.002 0.000 1.131 477 R CA 1.249 57.348 56.100 -0.003 0.000 0.960 477 R CB -0.176 30.127 30.300 0.004 0.000 0.856 477 R HN 0.166 nan 8.270 nan 0.000 0.436 478 I N 0.368 120.932 120.570 -0.009 0.000 2.113 478 I HA -0.289 3.881 4.170 -0.000 0.000 0.238 478 I C 2.423 178.537 176.117 -0.006 0.000 1.070 478 I CA 1.990 63.285 61.300 -0.009 0.000 1.332 478 I CB -0.543 37.440 38.000 -0.028 0.000 1.044 478 I HN 0.412 nan 8.210 nan 0.000 0.402 479 T N -1.101 113.448 114.554 -0.008 0.000 2.929 479 T HA -0.212 4.137 4.350 -0.000 0.000 0.271 479 T C 1.938 176.641 174.700 0.005 0.000 1.085 479 T CA 0.991 63.091 62.100 0.001 0.000 1.125 479 T CB -0.343 68.526 68.868 0.000 0.000 0.874 479 T HN 0.330 nan 8.240 nan 0.000 0.494 480 R N 0.758 121.259 120.500 0.002 0.000 2.055 480 R HA 0.062 4.402 4.340 -0.000 0.000 0.226 480 R C 2.411 178.714 176.300 0.006 0.000 1.135 480 R CA 0.613 56.715 56.100 0.005 0.000 0.959 480 R CB 0.027 30.330 30.300 0.004 0.000 0.854 480 R HN 0.206 nan 8.270 nan 0.000 0.431 481 R N 0.018 120.522 120.500 0.005 0.000 2.246 481 R HA 0.117 4.457 4.340 -0.000 0.000 0.199 481 R C 0.308 176.612 176.300 0.007 0.000 0.984 481 R CA 0.402 56.505 56.100 0.006 0.000 1.015 481 R CB 0.471 30.774 30.300 0.005 0.000 0.930 481 R HN 0.099 nan 8.270 nan 0.000 0.475 482 V N 3.900 123.819 119.914 0.007 0.000 2.271 482 V HA 0.149 4.269 4.120 -0.000 0.000 0.259 482 V C -1.649 174.457 176.094 0.020 0.000 1.030 482 V CA -1.116 61.189 62.300 0.009 0.000 0.957 482 V CB 1.583 33.406 31.823 -0.000 0.000 1.186 482 V HN -0.022 nan 8.190 nan 0.000 0.471 483 P HA -0.182 nan 4.420 nan 0.000 0.222 483 P C 0.965 178.295 177.300 0.050 0.000 1.142 483 P CA 1.226 64.344 63.100 0.030 0.000 0.788 483 P CB 0.611 32.325 31.700 0.024 0.000 0.767 484 E N -0.485 119.757 120.200 0.070 0.000 2.347 484 E HA 0.031 4.381 4.350 -0.000 0.000 0.196 484 E C 1.002 177.710 176.600 0.180 0.000 1.008 484 E CA 0.324 56.806 56.400 0.137 0.000 0.852 484 E CB -0.312 29.490 29.700 0.171 0.000 0.783 484 E HN 0.357 nan 8.360 nan 0.000 0.505 485 I N 0.779 121.412 120.570 0.105 0.000 2.312 485 I HA 0.115 4.285 4.170 -0.000 0.000 0.291 485 I C 1.139 177.292 176.117 0.060 0.000 1.031 485 I CA -0.133 61.224 61.300 0.095 0.000 1.293 485 I CB 1.507 39.528 38.000 0.036 0.000 1.403 485 I HN 0.106 nan 8.210 nan 0.000 0.484 486 G N 6.453 115.288 108.800 0.059 0.000 2.921 486 G HA2 0.138 4.098 3.960 -0.000 0.000 0.213 486 G HA3 0.138 4.098 3.960 -0.000 0.000 0.213 486 G C 0.576 175.487 174.900 0.019 0.000 1.143 486 G CA -0.049 45.068 45.100 0.029 0.000 0.764 486 G HN 0.535 nan 8.290 nan 0.000 0.542 487 R N -0.591 119.922 120.500 0.021 0.000 2.561 487 R HA 0.494 4.833 4.340 -0.000 0.000 0.266 487 R C -2.123 174.177 176.300 0.001 0.000 1.091 487 R CA -0.374 55.733 56.100 0.011 0.000 0.927 487 R CB 2.259 32.568 30.300 0.015 0.000 1.240 487 R HN -0.063 nan 8.270 nan 0.000 0.449 488 V N 4.694 124.603 119.914 -0.008 0.000 2.540 488 V HA 0.588 4.708 4.120 -0.000 0.000 0.302 488 V C -0.293 175.799 176.094 -0.003 0.000 1.035 488 V CA -0.615 61.669 62.300 -0.026 0.000 0.873 488 V CB 1.814 33.609 31.823 -0.047 0.000 0.992 488 V HN 0.579 nan 8.190 nan 0.000 0.428 489 V N 2.251 122.165 119.914 -0.000 0.000 3.040 489 V HA 0.711 4.831 4.120 -0.000 0.000 0.312 489 V C -1.593 174.563 176.094 0.103 0.000 1.115 489 V CA -0.959 61.372 62.300 0.052 0.000 0.998 489 V CB 2.137 33.997 31.823 0.061 0.000 1.042 489 V HN 0.702 nan 8.190 nan 0.000 0.433 490 Y N 1.452 121.749 120.300 -0.005 0.000 2.341 490 Y HA 0.569 5.118 4.550 -0.000 0.000 0.338 490 Y C -0.077 175.841 175.900 0.030 0.000 0.965 490 Y CA -0.960 57.151 58.100 0.019 0.000 1.108 490 Y CB 1.461 39.953 38.460 0.052 0.000 1.180 490 Y HN 0.970 nan 8.280 nan 0.000 0.458 491 D N 5.478 125.596 120.400 -0.470 0.000 2.371 491 D HA 0.090 4.730 4.640 -0.000 0.000 0.256 491 D C 0.214 176.181 176.300 -0.555 0.000 1.193 491 D CA 0.499 54.329 54.000 -0.284 0.000 0.881 491 D CB 0.860 41.667 40.800 0.013 0.000 1.143 491 D HN 0.803 nan 8.370 nan 0.000 0.473 492 L N 2.858 123.758 121.223 -0.538 0.000 2.700 492 L HA 0.126 4.466 4.340 -0.000 0.000 0.234 492 L C 0.576 176.948 176.870 -0.831 0.000 1.156 492 L CA 0.013 54.221 54.840 -1.053 0.000 0.946 492 L CB 0.290 41.794 42.059 -0.925 0.000 1.216 492 L HN 0.223 nan 8.230 nan 0.000 0.493 493 T N -0.696 113.648 114.554 -0.350 0.000 2.767 493 T HA 0.353 4.703 4.350 -0.000 0.000 0.288 493 T C 0.480 175.210 174.700 0.051 0.000 0.963 493 T CA -0.216 61.800 62.100 -0.140 0.000 1.019 493 T CB 1.997 70.780 68.868 -0.141 0.000 0.923 493 T HN -0.031 nan 8.240 nan 0.000 0.468 494 S N 1.874 117.662 115.700 0.146 0.000 2.671 494 S HA 0.494 4.963 4.470 -0.000 0.000 0.272 494 S C 0.044 174.695 174.600 0.085 0.000 1.174 494 S CA -0.875 57.434 58.200 0.181 0.000 1.004 494 S CB 0.698 64.025 63.200 0.213 0.000 1.077 494 S HN 0.669 nan 8.310 nan 0.000 0.553 495 K N 2.140 122.583 120.400 0.072 0.000 2.535 495 K HA 0.375 4.695 4.320 -0.000 0.000 0.253 495 K C -2.773 173.850 176.600 0.037 0.000 0.953 495 K CA -2.116 54.199 56.287 0.045 0.000 0.863 495 K CB 1.248 33.778 32.500 0.049 0.000 1.111 495 K HN 0.294 nan 8.250 nan 0.000 0.431 496 P HA 0.106 nan 4.420 nan 0.000 0.273 496 P C -2.278 175.040 177.300 0.031 0.000 1.250 496 P CA -0.959 62.157 63.100 0.026 0.000 0.793 496 P CB 0.511 32.225 31.700 0.023 0.000 1.011 497 P HA 0.175 nan 4.420 nan 0.000 0.261 497 P C -0.061 177.224 177.300 -0.026 0.000 1.268 497 P CA 0.411 63.507 63.100 -0.007 0.000 0.833 497 P CB 0.369 32.059 31.700 -0.016 0.000 1.231 498 A N 0.083 122.888 122.820 -0.025 0.000 2.384 498 A HA 0.651 4.971 4.320 -0.000 0.000 0.312 498 A C 0.278 177.853 177.584 -0.015 0.000 1.113 498 A CA -0.330 51.677 52.037 -0.050 0.000 0.779 498 A CB 0.757 19.694 19.000 -0.106 0.000 1.307 498 A HN 0.103 nan 8.150 nan 0.000 0.436 499 T N -0.507 114.035 114.554 -0.021 0.000 2.766 499 T HA 0.408 4.758 4.350 -0.000 0.000 0.295 499 T C 1.265 176.002 174.700 0.060 0.000 1.024 499 T CA -0.233 61.880 62.100 0.022 0.000 1.018 499 T CB 0.278 69.155 68.868 0.016 0.000 1.002 499 T HN 0.375 nan 8.240 nan 0.000 0.532 500 I N -0.189 120.440 120.570 0.099 0.000 2.193 500 I HA -0.016 4.154 4.170 -0.000 0.000 0.240 500 I C 1.431 177.658 176.117 0.182 0.000 1.084 500 I CA 0.967 62.353 61.300 0.144 0.000 1.365 500 I CB -0.162 37.937 38.000 0.165 0.000 1.064 500 I HN 0.633 nan 8.210 nan 0.000 0.410 501 E N -0.169 120.118 120.200 0.145 0.000 2.374 501 E HA -0.080 4.270 4.350 -0.000 0.000 0.260 501 E C -0.010 176.756 176.600 0.277 0.000 1.101 501 E CA -0.189 56.319 56.400 0.179 0.000 0.907 501 E CB 0.548 30.296 29.700 0.079 0.000 1.014 501 E HN 0.206 nan 8.360 nan 0.000 0.427 502 W N 0.942 122.235 121.300 -0.011 0.000 3.256 502 W HA 0.030 4.690 4.660 -0.000 0.000 0.269 502 W C 0.857 177.368 176.519 -0.014 0.000 1.310 502 W CA 0.161 57.498 57.345 -0.013 0.000 1.673 502 W CB 0.367 29.820 29.460 -0.012 0.000 1.115 502 W HN 0.549 nan 8.180 nan 0.000 0.686 503 E N 0.000 120.301 120.200 0.169 0.000 2.725 503 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 503 E CA 0.000 56.451 56.400 0.085 0.000 0.976 503 E CB 0.000 29.755 29.700 0.092 0.000 0.812 503 E HN 0.000 nan 8.360 nan 0.000 0.440