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 3hun_1_B DATA FIRST_RESID 25 DATA SEQUENCE TNSDVTPVQA ANQYGYAGLS AAYEPTSAVN VSQTGQLLYQ YNIDTKWNPA DATA SEQUENCE SMTKLMTMYL TLEAVNKGQL SLDDTVTMTN KEYIMSTLPE LSNTKLYPGQ DATA SEQUENCE VWTIADLLQI TVSNSSNAAA LILAKKVSKN TSDFVDLMNN KAKAIGMKNT DATA SEQUENCE HFVNPTGAEN SRLRSFAPTK YKDQERTVTT ARDYAILDLH VIKETPKILD DATA SEQUENCE FTKQLAPTTH AVTYYTFNFS LEGAKMSLPG TDGLKTGSSD TANYNHTITT DATA SEQUENCE KRGKFRINQV IMGAGDYKNL GGEKQRNMMG NALMERSFDQ YKYVKILSKG DATA SEQUENCE EQRINGKKYY VENDLYDVLP SDFSKKDYKL VVEDGKVHAD YPREFINKDY DATA SEQUENCE GPPTVEVHQ 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 25 T HA 0.000 nan 4.350 nan 0.000 0.228 25 T C 0.000 174.663 174.700 -0.062 0.000 1.109 25 T CA 0.000 62.074 62.100 -0.043 0.000 1.349 25 T CB 0.000 68.853 68.868 -0.024 0.000 0.612 26 N N 1.598 120.260 118.700 -0.064 0.000 2.374 26 N HA 0.286 5.025 4.740 -0.001 0.000 0.241 26 N C 0.605 176.078 175.510 -0.062 0.000 1.262 26 N CA -0.115 52.892 53.050 -0.071 0.000 0.880 26 N CB 0.550 39.036 38.487 -0.002 0.000 1.105 26 N HN 0.534 nan 8.380 nan 0.000 0.438 27 S N 0.582 116.193 115.700 -0.148 0.000 2.606 27 S HA -0.071 4.399 4.470 -0.001 0.000 0.257 27 S C 1.258 175.885 174.600 0.045 0.000 1.327 27 S CA -0.541 57.616 58.200 -0.072 0.000 0.984 27 S CB 0.406 63.523 63.200 -0.139 0.000 0.941 27 S HN 0.774 nan 8.310 nan 0.000 0.576 28 D N -0.277 120.177 120.400 0.090 0.000 2.355 28 D HA -0.040 4.599 4.640 -0.001 0.000 0.218 28 D C 0.532 176.901 176.300 0.114 0.000 1.004 28 D CA 0.305 54.360 54.000 0.092 0.000 0.880 28 D CB -0.221 40.627 40.800 0.080 0.000 0.911 28 D HN 0.268 nan 8.370 nan 0.000 0.528 29 V N -1.366 118.646 119.914 0.164 0.000 2.823 29 V HA 0.590 4.709 4.120 -0.001 0.000 0.312 29 V C 0.285 176.470 176.094 0.153 0.000 1.072 29 V CA -0.610 61.776 62.300 0.143 0.000 0.937 29 V CB 1.214 33.114 31.823 0.128 0.000 1.013 29 V HN 0.143 nan 8.190 nan 0.000 0.430 30 T N 0.726 115.289 114.554 0.014 0.000 2.828 30 T HA 0.457 4.807 4.350 -0.001 0.000 0.290 30 T C -1.683 172.882 174.700 -0.226 0.000 1.019 30 T CA -1.132 60.826 62.100 -0.237 0.000 1.031 30 T CB 1.140 69.857 68.868 -0.252 0.000 1.001 30 T HN 0.569 nan 8.240 nan 0.000 0.531 31 P HA -0.068 nan 4.420 nan 0.000 0.215 31 P C 1.736 178.933 177.300 -0.173 0.000 1.153 31 P CA 0.518 63.451 63.100 -0.279 0.000 0.853 31 P CB -0.128 31.413 31.700 -0.266 0.000 0.788 32 V N -0.419 119.414 119.914 -0.135 0.000 2.358 32 V HA -0.273 3.846 4.120 -0.001 0.000 0.246 32 V C 2.428 178.509 176.094 -0.022 0.000 1.047 32 V CA 1.821 64.089 62.300 -0.053 0.000 1.035 32 V CB -1.261 30.558 31.823 -0.007 0.000 0.658 32 V HN 0.178 nan 8.190 nan 0.000 0.452 33 Q N -0.125 119.659 119.800 -0.026 0.000 2.124 33 Q HA -0.175 4.164 4.340 -0.001 0.000 0.202 33 Q C 2.410 178.432 176.000 0.036 0.000 0.977 33 Q CA 1.790 57.601 55.803 0.013 0.000 0.850 33 Q CB -0.423 28.328 28.738 0.022 0.000 0.901 33 Q HN 0.678 nan 8.270 nan 0.000 0.429 34 A N 1.086 123.909 122.820 0.006 0.000 1.898 34 A HA -0.098 4.221 4.320 -0.001 0.000 0.216 34 A C 2.305 179.964 177.584 0.124 0.000 1.181 34 A CA 1.498 53.564 52.037 0.049 0.000 0.620 34 A CB -0.764 18.153 19.000 -0.137 0.000 0.819 34 A HN 0.394 nan 8.150 nan 0.000 0.442 35 A N 0.164 123.019 122.820 0.059 0.000 1.933 35 A HA -0.200 4.119 4.320 -0.001 0.000 0.218 35 A C 1.864 179.563 177.584 0.191 0.000 1.175 35 A CA 1.947 54.071 52.037 0.145 0.000 0.628 35 A CB -0.719 18.296 19.000 0.024 0.000 0.814 35 A HN 0.593 nan 8.150 nan 0.000 0.444 36 N N -0.539 118.226 118.700 0.109 0.000 2.309 36 N HA -0.114 4.625 4.740 -0.001 0.000 0.182 36 N C 1.872 177.414 175.510 0.053 0.000 1.018 36 N CA 1.437 54.535 53.050 0.079 0.000 0.876 36 N CB -0.148 38.368 38.487 0.049 0.000 0.972 36 N HN 0.661 nan 8.380 nan 0.000 0.434 37 Q N -1.367 118.477 119.800 0.073 0.000 2.302 37 Q HA 0.065 4.404 4.340 -0.001 0.000 0.202 37 Q C -0.013 175.900 176.000 -0.146 0.000 0.936 37 Q CA 0.648 56.435 55.803 -0.026 0.000 0.886 37 Q CB 0.330 29.071 28.738 0.006 0.000 0.986 37 Q HN 0.446 nan 8.270 nan 0.000 0.487 38 Y N -0.202 120.106 120.300 0.014 0.000 2.813 38 Y HA 0.345 4.895 4.550 -0.001 0.000 0.378 38 Y C 0.763 176.635 175.900 -0.047 0.000 1.023 38 Y CA -0.008 58.094 58.100 0.004 0.000 1.567 38 Y CB 0.808 39.285 38.460 0.028 0.000 1.492 38 Y HN 0.169 nan 8.280 nan 0.000 0.533 39 G N -0.285 108.477 108.800 -0.064 0.000 2.141 39 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.231 39 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.231 39 G C -0.339 174.247 174.900 -0.523 0.000 0.984 39 G CA -0.222 44.709 45.100 -0.282 0.000 0.660 39 G HN 0.500 nan 8.290 nan 0.000 0.525 40 Y N 0.339 120.640 120.300 0.002 0.000 2.555 40 Y HA 0.634 5.183 4.550 -0.002 0.000 0.317 40 Y C 1.033 176.920 175.900 -0.021 0.000 0.928 40 Y CA -0.599 57.490 58.100 -0.019 0.000 1.116 40 Y CB 0.349 38.791 38.460 -0.031 0.000 1.169 40 Y HN 0.582 nan 8.280 nan 0.000 0.627 41 A N 0.286 123.144 122.820 0.064 0.000 2.555 41 A HA 0.397 4.716 4.320 -0.001 0.000 0.233 41 A C 1.578 179.193 177.584 0.050 0.000 1.060 41 A CA 1.404 53.465 52.037 0.041 0.000 0.759 41 A CB -0.434 18.569 19.000 0.005 0.000 0.995 41 A HN 1.321 nan 8.150 nan 0.000 0.506 42 G N -0.047 108.778 108.800 0.043 0.000 2.258 42 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.233 42 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.233 42 G C 0.215 175.141 174.900 0.042 0.000 1.006 42 G CA 0.242 45.366 45.100 0.039 0.000 0.620 42 G HN 1.673 nan 8.290 nan 0.000 0.511 43 L N 3.299 124.548 121.223 0.043 0.000 2.477 43 L HA 0.617 4.956 4.340 -0.001 0.000 0.272 43 L C 1.032 177.950 176.870 0.080 0.000 1.157 43 L CA 0.275 55.121 54.840 0.010 0.000 0.889 43 L CB 0.702 42.742 42.059 -0.033 0.000 1.158 43 L HN 0.749 nan 8.230 nan 0.000 0.473 44 S N 3.843 119.651 115.700 0.180 0.000 2.632 44 S HA 0.599 5.068 4.470 -0.001 0.000 0.271 44 S C 1.225 175.941 174.600 0.194 0.000 1.260 44 S CA -0.286 58.026 58.200 0.187 0.000 1.010 44 S CB 1.393 64.699 63.200 0.177 0.000 0.965 44 S HN 0.895 nan 8.310 nan 0.000 0.534 45 A N 1.633 124.508 122.820 0.092 0.000 2.125 45 A HA 0.171 4.490 4.320 -0.001 0.000 0.219 45 A C 2.228 179.821 177.584 0.015 0.000 1.156 45 A CA 1.496 53.566 52.037 0.055 0.000 0.671 45 A CB -1.491 17.529 19.000 0.033 0.000 0.794 45 A HN 1.397 nan 8.150 nan 0.000 0.459 46 A N -1.656 121.133 122.820 -0.052 0.000 2.125 46 A HA -0.028 4.291 4.320 -0.001 0.000 0.219 46 A C 1.693 179.090 177.584 -0.312 0.000 1.156 46 A CA 1.206 53.113 52.037 -0.217 0.000 0.671 46 A CB -0.644 18.143 19.000 -0.354 0.000 0.794 46 A HN 0.625 nan 8.150 nan 0.000 0.459 47 Y N -0.523 119.777 120.300 -0.000 0.000 2.466 47 Y HA 0.235 4.785 4.550 -0.001 0.000 0.272 47 Y C 0.817 176.709 175.900 -0.013 0.000 1.169 47 Y CA -0.314 57.783 58.100 -0.005 0.000 1.285 47 Y CB -0.028 38.411 38.460 -0.033 0.000 1.078 47 Y HN 0.223 nan 8.280 nan 0.000 0.523 48 E N 3.042 123.295 120.200 0.089 0.000 2.568 48 E HA -0.044 4.305 4.350 -0.001 0.000 0.262 48 E C -2.310 174.320 176.600 0.051 0.000 0.961 48 E CA -1.179 55.250 56.400 0.048 0.000 0.945 48 E CB 0.276 30.007 29.700 0.052 0.000 0.924 48 E HN 0.100 nan 8.360 nan 0.000 0.467 49 P HA 0.154 nan 4.420 nan 0.000 0.284 49 P C 0.137 177.419 177.300 -0.031 0.000 1.287 49 P CA -0.430 62.668 63.100 -0.003 0.000 0.824 49 P CB 0.944 32.641 31.700 -0.006 0.000 1.180 50 T N -0.711 113.653 114.554 -0.317 0.000 2.684 50 T HA -0.042 4.307 4.350 -0.001 0.000 0.267 50 T C 1.026 175.584 174.700 -0.237 0.000 1.036 50 T CA 1.829 63.648 62.100 -0.468 0.000 1.148 50 T CB -0.442 67.746 68.868 -1.133 0.000 0.863 50 T HN 0.789 nan 8.240 nan 0.000 0.436 51 S N -1.009 114.620 115.700 -0.117 0.000 2.587 51 S HA 0.756 5.225 4.470 -0.001 0.000 0.269 51 S C -1.636 173.051 174.600 0.145 0.000 1.154 51 S CA -0.626 57.590 58.200 0.028 0.000 0.824 51 S CB 1.989 65.129 63.200 -0.099 0.000 1.118 51 S HN 0.643 nan 8.310 nan 0.000 0.462 52 A N 0.174 123.141 122.820 0.246 0.000 2.604 52 A HA 0.898 5.217 4.320 -0.001 0.000 0.295 52 A C -1.387 176.351 177.584 0.256 0.000 1.067 52 A CA -0.538 51.643 52.037 0.240 0.000 0.683 52 A CB 1.427 20.596 19.000 0.282 0.000 1.281 52 A HN 2.084 nan 8.150 nan 0.000 0.407 53 V N 1.386 121.429 119.914 0.215 0.000 2.932 53 V HA 0.588 4.707 4.120 -0.001 0.000 0.307 53 V C -1.374 174.805 176.094 0.141 0.000 1.147 53 V CA -0.709 61.693 62.300 0.170 0.000 0.951 53 V CB 2.256 34.115 31.823 0.060 0.000 1.031 53 V HN 1.002 nan 8.190 nan 0.000 0.426 54 N N 3.215 121.987 118.700 0.119 0.000 2.342 54 N HA 0.736 5.475 4.740 -0.001 0.000 0.293 54 N C -1.683 173.775 175.510 -0.087 0.000 1.026 54 N CA -0.449 52.589 53.050 -0.020 0.000 0.857 54 N CB 2.444 40.890 38.487 -0.069 0.000 1.256 54 N HN 0.465 nan 8.380 nan 0.000 0.484 55 V N 2.171 122.003 119.914 -0.137 0.000 2.638 55 V HA 0.379 4.499 4.120 -0.001 0.000 0.306 55 V C -0.146 175.832 176.094 -0.193 0.000 1.052 55 V CA -0.517 61.679 62.300 -0.173 0.000 0.885 55 V CB 1.806 33.533 31.823 -0.159 0.000 0.999 55 V HN 0.848 nan 8.190 nan 0.000 0.424 56 S N 4.365 119.959 115.700 -0.178 0.000 2.579 56 S HA 0.088 4.557 4.470 -0.001 0.000 0.275 56 S C 0.892 175.437 174.600 -0.093 0.000 1.345 56 S CA 0.335 58.482 58.200 -0.088 0.000 1.031 56 S CB 1.191 64.427 63.200 0.060 0.000 0.892 56 S HN 0.868 nan 8.310 nan 0.000 0.529 57 Q N 1.455 121.214 119.800 -0.069 0.000 2.297 57 Q HA -0.108 4.231 4.340 -0.001 0.000 0.208 57 Q C 1.902 177.899 176.000 -0.005 0.000 0.981 57 Q CA 2.271 58.033 55.803 -0.068 0.000 0.876 57 Q CB -1.175 27.528 28.738 -0.060 0.000 0.921 57 Q HN 1.012 nan 8.270 nan 0.000 0.446 58 T N -4.486 110.108 114.554 0.067 0.000 3.113 58 T HA 0.227 4.576 4.350 -0.001 0.000 0.263 58 T C 1.354 176.200 174.700 0.244 0.000 1.143 58 T CA 0.601 62.818 62.100 0.194 0.000 1.090 58 T CB -0.030 69.009 68.868 0.286 0.000 0.922 58 T HN 0.434 nan 8.240 nan 0.000 0.521 59 G N 0.587 109.392 108.800 0.007 0.000 2.176 59 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.232 59 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.232 59 G C -0.176 174.750 174.900 0.044 0.000 0.986 59 G CA -0.023 45.019 45.100 -0.097 0.000 0.643 59 G HN 0.779 nan 8.290 nan 0.000 0.522 60 Q N 0.440 120.160 119.800 -0.134 0.000 2.279 60 Q HA 0.625 4.964 4.340 -0.001 0.000 0.256 60 Q C 0.482 176.262 176.000 -0.368 0.000 0.937 60 Q CA -0.630 54.857 55.803 -0.527 0.000 0.933 60 Q CB 0.421 28.804 28.738 -0.591 0.000 1.189 60 Q HN 0.405 nan 8.270 nan 0.000 0.417 61 L N 5.775 126.792 121.223 -0.343 0.000 2.410 61 L HA 0.053 4.392 4.340 -0.001 0.000 0.273 61 L C 0.575 177.299 176.870 -0.243 0.000 1.144 61 L CA 0.114 54.819 54.840 -0.226 0.000 0.863 61 L CB 0.459 42.425 42.059 -0.155 0.000 1.140 61 L HN 0.773 nan 8.230 nan 0.000 0.463 62 L N 3.925 125.023 121.223 -0.208 0.000 2.642 62 L HA 0.230 4.569 4.340 -0.001 0.000 0.233 62 L C -0.459 176.458 176.870 0.077 0.000 1.077 62 L CA -0.114 54.602 54.840 -0.207 0.000 0.879 62 L CB 0.367 42.199 42.059 -0.379 0.000 1.151 62 L HN 0.463 nan 8.230 nan 0.000 0.495 63 Y N 1.197 121.449 120.300 -0.080 0.000 2.441 63 Y HA 0.457 5.006 4.550 -0.001 0.000 0.334 63 Y C -1.446 174.448 175.900 -0.010 0.000 1.061 63 Y CA -0.890 57.195 58.100 -0.025 0.000 1.032 63 Y CB 1.448 39.884 38.460 -0.041 0.000 1.266 63 Y HN -0.044 nan 8.280 nan 0.000 0.441 64 Q N 5.583 124.899 119.800 -0.807 0.000 2.323 64 Q HA 0.390 4.729 4.340 -0.001 0.000 0.271 64 Q C -2.155 173.509 176.000 -0.559 0.000 1.048 64 Q CA -1.065 54.442 55.803 -0.495 0.000 0.792 64 Q CB 3.365 31.954 28.738 -0.249 0.000 1.280 64 Q HN 0.686 nan 8.270 nan 0.000 0.441 65 Y N 3.090 123.151 120.300 -0.399 0.000 2.317 65 Y HA 0.204 4.753 4.550 -0.001 0.000 0.329 65 Y C -0.844 174.990 175.900 -0.110 0.000 1.101 65 Y CA -0.668 57.301 58.100 -0.219 0.000 1.228 65 Y CB 0.745 39.158 38.460 -0.078 0.000 1.123 65 Y HN 0.753 nan 8.280 nan 0.000 0.457 66 N N 4.732 123.203 118.700 -0.381 0.000 2.740 66 N HA -0.246 4.493 4.740 -0.001 0.000 0.248 66 N C 0.844 176.251 175.510 -0.172 0.000 1.062 66 N CA 1.487 54.332 53.050 -0.341 0.000 0.704 66 N CB -1.266 36.909 38.487 -0.519 0.000 0.968 66 N HN 0.916 nan 8.380 nan 0.000 0.547 67 I N -4.053 116.449 120.570 -0.113 0.000 3.176 67 I HA -0.001 4.168 4.170 -0.001 0.000 0.275 67 I C 0.555 176.653 176.117 -0.031 0.000 1.298 67 I CA 1.145 62.412 61.300 -0.053 0.000 1.445 67 I CB 0.083 38.059 38.000 -0.041 0.000 1.075 67 I HN -0.122 nan 8.210 nan 0.000 0.482 68 D N 1.219 121.593 120.400 -0.044 0.000 2.440 68 D HA 0.130 4.769 4.640 -0.001 0.000 0.216 68 D C 0.132 176.423 176.300 -0.015 0.000 1.150 68 D CA 0.170 54.159 54.000 -0.018 0.000 0.832 68 D CB 0.684 41.473 40.800 -0.018 0.000 0.992 68 D HN 0.235 nan 8.370 nan 0.000 0.502 69 T N 1.750 116.284 114.554 -0.033 0.000 2.834 69 T HA 0.093 4.443 4.350 -0.001 0.000 0.298 69 T C 0.676 175.412 174.700 0.059 0.000 0.966 69 T CA -0.042 62.052 62.100 -0.010 0.000 1.141 69 T CB 1.327 70.159 68.868 -0.060 0.000 0.905 69 T HN -0.116 nan 8.240 nan 0.000 0.535 70 K N 2.765 123.218 120.400 0.088 0.000 2.382 70 K HA 0.257 4.576 4.320 -0.001 0.000 0.275 70 K C -0.434 176.337 176.600 0.285 0.000 1.009 70 K CA -0.079 56.282 56.287 0.124 0.000 0.970 70 K CB 0.865 33.404 32.500 0.066 0.000 0.934 70 K HN 0.611 nan 8.250 nan 0.000 0.479 71 W N 1.872 123.136 121.300 -0.059 0.000 3.161 71 W HA 0.063 4.722 4.660 -0.002 0.000 0.314 71 W C -1.375 175.091 176.519 -0.088 0.000 1.245 71 W CA -0.795 56.511 57.345 -0.065 0.000 1.191 71 W CB 1.349 30.774 29.460 -0.057 0.000 1.392 71 W HN 0.493 nan 8.180 nan 0.000 0.568 72 N N 4.699 123.029 118.700 -0.617 0.000 2.420 72 N HA 0.159 4.898 4.740 -0.001 0.000 0.262 72 N C -1.327 174.059 175.510 -0.206 0.000 1.144 72 N CA -1.300 51.494 53.050 -0.425 0.000 0.952 72 N CB 1.448 39.602 38.487 -0.554 0.000 1.081 72 N HN 0.049 nan 8.380 nan 0.000 0.480 73 P HA 0.011 nan 4.420 nan 0.000 0.233 73 P C 0.499 177.735 177.300 -0.107 0.000 1.167 73 P CA 0.749 63.756 63.100 -0.156 0.000 0.770 73 P CB 0.018 31.532 31.700 -0.309 0.000 0.837 74 A N 0.404 123.159 122.820 -0.109 0.000 5.481 74 A HA -0.313 4.006 4.320 -0.001 0.000 0.318 74 A C 1.963 179.526 177.584 -0.035 0.000 1.837 74 A CA 2.069 54.050 52.037 -0.093 0.000 0.717 74 A CB -2.405 16.520 19.000 -0.126 0.000 1.349 74 A HN 0.201 nan 8.150 nan 0.000 0.388 75 S N -0.160 115.531 115.700 -0.015 0.000 2.507 75 S HA -0.013 4.456 4.470 -0.001 0.000 0.235 75 S C 1.738 176.372 174.600 0.057 0.000 0.988 75 S CA 1.531 59.747 58.200 0.026 0.000 0.944 75 S CB -0.463 62.767 63.200 0.050 0.000 0.762 75 S HN 0.471 nan 8.310 nan 0.000 0.526 76 M N 0.698 120.323 119.600 0.042 0.000 2.346 76 M HA -0.108 4.371 4.480 -0.001 0.000 0.263 76 M C 1.930 178.334 176.300 0.174 0.000 1.064 76 M CA 1.005 56.346 55.300 0.068 0.000 1.083 76 M CB -0.977 31.570 32.600 -0.089 0.000 1.399 76 M HN 0.221 nan 8.290 nan 0.000 0.435 77 T N 0.649 115.295 114.554 0.153 0.000 2.849 77 T HA -0.151 4.198 4.350 -0.001 0.000 0.270 77 T C 1.642 176.443 174.700 0.169 0.000 1.066 77 T CA 1.178 63.446 62.100 0.280 0.000 1.130 77 T CB -0.165 68.831 68.868 0.213 0.000 0.864 77 T HN 0.448 nan 8.240 nan 0.000 0.481 78 K N 0.431 120.895 120.400 0.106 0.000 2.280 78 K HA 0.018 4.337 4.320 -0.001 0.000 0.202 78 K C 2.043 178.678 176.600 0.058 0.000 1.047 78 K CA 0.506 56.818 56.287 0.043 0.000 0.942 78 K CB -0.256 32.247 32.500 0.006 0.000 0.739 78 K HN 0.167 nan 8.250 nan 0.000 0.457 79 L N 1.052 122.351 121.223 0.127 0.000 2.042 79 L HA -0.168 4.171 4.340 -0.001 0.000 0.210 79 L C 2.242 179.161 176.870 0.082 0.000 1.076 79 L CA 1.628 56.533 54.840 0.109 0.000 0.749 79 L CB -0.425 41.733 42.059 0.165 0.000 0.893 79 L HN 0.159 nan 8.230 nan 0.000 0.432 80 M N -1.128 118.512 119.600 0.066 0.000 2.117 80 M HA -0.179 4.300 4.480 -0.001 0.000 0.262 80 M C 2.031 178.354 176.300 0.038 0.000 1.065 80 M CA 2.381 57.676 55.300 -0.010 0.000 1.114 80 M CB -0.884 31.532 32.600 -0.307 0.000 1.361 80 M HN 0.251 nan 8.290 nan 0.000 0.408 81 T N 0.563 115.144 114.554 0.045 0.000 2.788 81 T HA -0.109 4.240 4.350 -0.001 0.000 0.268 81 T C 1.760 176.516 174.700 0.093 0.000 1.044 81 T CA 1.917 64.115 62.100 0.164 0.000 1.139 81 T CB -0.233 68.665 68.868 0.050 0.000 0.867 81 T HN 0.460 nan 8.240 nan 0.000 0.454 82 M N -0.250 119.374 119.600 0.039 0.000 2.132 82 M HA -0.033 4.446 4.480 -0.001 0.000 0.263 82 M C 2.196 178.542 176.300 0.077 0.000 1.065 82 M CA 1.488 56.787 55.300 -0.002 0.000 1.122 82 M CB -0.459 32.131 32.600 -0.017 0.000 1.365 82 M HN 0.246 nan 8.290 nan 0.000 0.411 83 Y N 1.724 122.012 120.300 -0.020 0.000 2.097 83 Y HA -0.223 4.326 4.550 -0.002 0.000 0.282 83 Y C 1.868 177.766 175.900 -0.003 0.000 1.152 83 Y CA 1.681 59.774 58.100 -0.012 0.000 1.136 83 Y CB -0.708 37.730 38.460 -0.037 0.000 0.975 83 Y HN 0.082 nan 8.280 nan 0.000 0.498 84 L N -0.685 120.433 121.223 -0.175 0.000 2.131 84 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 84 L C 2.311 179.134 176.870 -0.078 0.000 1.092 84 L CA 1.737 56.419 54.840 -0.263 0.000 0.759 84 L CB -0.992 40.964 42.059 -0.171 0.000 0.903 84 L HN 0.241 nan 8.230 nan 0.000 0.435 85 T N 0.368 114.928 114.554 0.010 0.000 2.674 85 T HA -0.171 4.178 4.350 -0.001 0.000 0.265 85 T C 1.950 176.632 174.700 -0.030 0.000 1.039 85 T CA 1.335 63.426 62.100 -0.016 0.000 1.150 85 T CB -0.276 68.552 68.868 -0.067 0.000 0.864 85 T HN 0.203 nan 8.240 nan 0.000 0.427 86 L N 0.718 121.932 121.223 -0.015 0.000 2.141 86 L HA -0.037 4.302 4.340 -0.001 0.000 0.209 86 L C 2.766 179.628 176.870 -0.013 0.000 1.094 86 L CA 1.175 56.027 54.840 0.021 0.000 0.763 86 L CB -0.509 41.604 42.059 0.091 0.000 0.908 86 L HN 0.366 nan 8.230 nan 0.000 0.437 87 E N 0.768 120.910 120.200 -0.098 0.000 2.085 87 E HA -0.271 4.078 4.350 -0.001 0.000 0.194 87 E C 2.206 178.759 176.600 -0.078 0.000 0.994 87 E CA 1.342 57.662 56.400 -0.134 0.000 0.801 87 E CB 0.010 29.515 29.700 -0.324 0.000 0.743 87 E HN 0.463 nan 8.360 nan 0.000 0.453 88 A N 0.501 123.281 122.820 -0.066 0.000 1.930 88 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 88 A C 2.399 179.974 177.584 -0.015 0.000 1.175 88 A CA 1.280 53.297 52.037 -0.034 0.000 0.627 88 A CB -0.577 18.413 19.000 -0.017 0.000 0.815 88 A HN 0.225 nan 8.150 nan 0.000 0.443 89 V N 1.156 121.066 119.914 -0.006 0.000 2.255 89 V HA -0.301 3.819 4.120 -0.001 0.000 0.247 89 V C 2.275 178.376 176.094 0.011 0.000 1.051 89 V CA 2.266 64.572 62.300 0.010 0.000 1.018 89 V CB -1.045 30.796 31.823 0.030 0.000 0.641 89 V HN 0.556 nan 8.190 nan 0.000 0.445 90 N N 0.320 119.026 118.700 0.010 0.000 2.205 90 N HA -0.169 4.571 4.740 -0.001 0.000 0.186 90 N C 1.643 177.155 175.510 0.004 0.000 1.015 90 N CA 1.252 54.309 53.050 0.012 0.000 0.862 90 N CB -0.327 38.169 38.487 0.015 0.000 0.986 90 N HN 0.531 nan 8.380 nan 0.000 0.429 91 K N -0.279 120.117 120.400 -0.006 0.000 2.487 91 K HA 0.134 4.453 4.320 -0.001 0.000 0.192 91 K C 0.716 177.315 176.600 -0.002 0.000 1.027 91 K CA 0.337 56.620 56.287 -0.007 0.000 1.054 91 K CB 0.170 32.660 32.500 -0.018 0.000 0.824 91 K HN 0.213 nan 8.250 nan 0.000 0.510 92 G N 1.995 110.796 108.800 0.002 0.000 2.179 92 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.257 92 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.257 92 G C 0.514 175.415 174.900 0.002 0.000 1.010 92 G CA 0.500 45.603 45.100 0.004 0.000 0.736 92 G HN 0.450 nan 8.290 nan 0.000 0.513 93 Q N -1.695 118.104 119.800 -0.001 0.000 2.389 93 Q HA 0.489 4.829 4.340 -0.001 0.000 0.204 93 Q C 0.715 176.716 176.000 0.000 0.000 0.944 93 Q CA 0.738 56.540 55.803 -0.001 0.000 0.908 93 Q CB 0.539 29.275 28.738 -0.004 0.000 1.002 93 Q HN 0.548 nan 8.270 nan 0.000 0.493 94 L N -0.796 120.428 121.223 0.002 0.000 2.518 94 L HA 0.465 4.804 4.340 -0.001 0.000 0.257 94 L C -1.460 175.416 176.870 0.010 0.000 0.980 94 L CA -0.499 54.342 54.840 0.002 0.000 0.837 94 L CB 2.393 44.449 42.059 -0.005 0.000 1.410 94 L HN -0.087 nan 8.230 nan 0.000 0.410 95 S N 2.969 118.678 115.700 0.014 0.000 2.566 95 S HA 0.543 5.013 4.470 -0.001 0.000 0.298 95 S C 0.897 175.518 174.600 0.035 0.000 1.083 95 S CA -0.739 57.476 58.200 0.025 0.000 0.978 95 S CB 1.253 64.467 63.200 0.024 0.000 1.073 95 S HN 0.708 nan 8.310 nan 0.000 0.491 96 L N 1.225 122.482 121.223 0.056 0.000 2.261 96 L HA -0.049 4.290 4.340 -0.001 0.000 0.216 96 L C 1.757 178.672 176.870 0.075 0.000 1.114 96 L CA 1.078 55.969 54.840 0.084 0.000 0.777 96 L CB -0.401 41.743 42.059 0.141 0.000 0.910 96 L HN 0.707 nan 8.230 nan 0.000 0.440 97 D N -0.534 119.899 120.400 0.056 0.000 2.234 97 D HA -0.055 4.584 4.640 -0.001 0.000 0.205 97 D C 0.446 176.770 176.300 0.040 0.000 0.962 97 D CA 0.408 54.435 54.000 0.045 0.000 0.855 97 D CB 0.006 40.826 40.800 0.033 0.000 0.951 97 D HN 0.198 nan 8.370 nan 0.000 0.500 98 D N 0.300 120.721 120.400 0.035 0.000 2.449 98 D HA 0.039 4.678 4.640 -0.001 0.000 0.236 98 D C 0.634 176.959 176.300 0.042 0.000 1.149 98 D CA 0.617 54.635 54.000 0.030 0.000 0.878 98 D CB 0.828 41.640 40.800 0.019 0.000 1.198 98 D HN 0.097 nan 8.370 nan 0.000 0.446 99 T N -2.382 112.199 114.554 0.045 0.000 2.908 99 T HA 0.653 5.003 4.350 -0.001 0.000 0.290 99 T C -0.431 174.306 174.700 0.060 0.000 1.034 99 T CA -0.888 61.252 62.100 0.068 0.000 1.010 99 T CB 1.375 70.286 68.868 0.071 0.000 1.068 99 T HN 0.038 nan 8.240 nan 0.000 0.481 100 V N 1.773 121.739 119.914 0.087 0.000 2.604 100 V HA 0.550 4.669 4.120 -0.001 0.000 0.305 100 V C 0.092 176.247 176.094 0.101 0.000 1.043 100 V CA -0.730 61.606 62.300 0.060 0.000 0.888 100 V CB 2.097 33.930 31.823 0.017 0.000 0.995 100 V HN 1.139 nan 8.190 nan 0.000 0.429 101 T N 6.431 121.029 114.554 0.073 0.000 2.743 101 T HA 0.436 4.785 4.350 -0.001 0.000 0.292 101 T C 0.123 174.867 174.700 0.073 0.000 0.972 101 T CA -0.472 61.684 62.100 0.093 0.000 0.967 101 T CB 0.523 69.433 68.868 0.069 0.000 0.926 101 T HN 0.368 nan 8.240 nan 0.000 0.459 102 M N 3.500 123.160 119.600 0.101 0.000 2.248 102 M HA 0.275 4.754 4.480 -0.001 0.000 0.337 102 M C 1.067 177.397 176.300 0.050 0.000 1.121 102 M CA -0.051 55.276 55.300 0.046 0.000 1.155 102 M CB 0.123 32.755 32.600 0.052 0.000 1.514 102 M HN 0.742 nan 8.290 nan 0.000 0.452 103 T N -2.454 112.116 114.554 0.028 0.000 2.883 103 T HA 0.316 4.666 4.350 -0.001 0.000 0.284 103 T C 1.017 175.750 174.700 0.056 0.000 1.041 103 T CA -0.830 61.294 62.100 0.040 0.000 1.007 103 T CB 1.368 70.255 68.868 0.032 0.000 1.220 103 T HN 0.683 nan 8.240 nan 0.000 0.552 104 N N 0.266 119.003 118.700 0.061 0.000 2.137 104 N HA -0.223 4.517 4.740 -0.001 0.000 0.190 104 N C 1.693 177.277 175.510 0.123 0.000 1.017 104 N CA 1.562 54.668 53.050 0.093 0.000 0.859 104 N CB -0.168 38.362 38.487 0.071 0.000 1.002 104 N HN 0.684 nan 8.380 nan 0.000 0.428 105 K N 0.615 121.066 120.400 0.086 0.000 2.057 105 K HA -0.146 4.173 4.320 -0.001 0.000 0.207 105 K C 1.439 178.015 176.600 -0.040 0.000 1.049 105 K CA 1.449 57.794 56.287 0.097 0.000 0.931 105 K CB 0.078 32.642 32.500 0.107 0.000 0.714 105 K HN 0.092 nan 8.250 nan 0.000 0.440 106 E N -0.453 119.697 120.200 -0.083 0.000 2.208 106 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 106 E C 1.543 178.033 176.600 -0.183 0.000 0.988 106 E CA 0.805 57.081 56.400 -0.207 0.000 0.828 106 E CB -0.311 29.270 29.700 -0.198 0.000 0.763 106 E HN 0.385 nan 8.360 nan 0.000 0.478 107 Y N 0.908 121.105 120.300 -0.172 0.000 2.145 107 Y HA -0.205 4.345 4.550 -0.001 0.000 0.286 107 Y C 1.787 177.597 175.900 -0.150 0.000 1.145 107 Y CA 1.563 59.560 58.100 -0.172 0.000 1.148 107 Y CB -0.176 38.229 38.460 -0.092 0.000 0.981 107 Y HN -0.016 nan 8.280 nan 0.000 0.507 108 I N -0.248 120.288 120.570 -0.057 0.000 2.226 108 I HA -0.393 3.777 4.170 -0.001 0.000 0.245 108 I C 2.445 178.433 176.117 -0.214 0.000 1.100 108 I CA 1.784 63.040 61.300 -0.074 0.000 1.374 108 I CB -0.416 37.689 38.000 0.175 0.000 1.057 108 I HN 0.321 nan 8.210 nan 0.000 0.413 109 M N 0.336 119.656 119.600 -0.467 0.000 2.106 109 M HA -0.224 4.255 4.480 -0.001 0.000 0.259 109 M C 2.394 178.437 176.300 -0.430 0.000 1.068 109 M CA 2.308 57.196 55.300 -0.687 0.000 1.100 109 M CB -0.590 31.494 32.600 -0.860 0.000 1.351 109 M HN 0.364 nan 8.290 nan 0.000 0.404 110 S N -1.163 114.279 115.700 -0.430 0.000 2.561 110 S HA -0.027 4.442 4.470 -0.001 0.000 0.225 110 S C 1.374 175.743 174.600 -0.386 0.000 0.977 110 S CA 0.999 58.958 58.200 -0.401 0.000 0.926 110 S CB -0.739 62.202 63.200 -0.431 0.000 0.769 110 S HN 0.573 nan 8.310 nan 0.000 0.533 111 T N -0.834 113.477 114.554 -0.405 0.000 3.200 111 T HA 0.446 4.795 4.350 -0.001 0.000 0.284 111 T C 0.181 174.778 174.700 -0.173 0.000 1.009 111 T CA -0.617 61.288 62.100 -0.324 0.000 0.907 111 T CB -0.523 68.064 68.868 -0.469 0.000 1.120 111 T HN 0.267 nan 8.240 nan 0.000 0.534 112 L N 2.498 123.640 121.223 -0.135 0.000 2.578 112 L HA 0.222 4.561 4.340 -0.001 0.000 0.279 112 L C -2.040 174.803 176.870 -0.045 0.000 1.227 112 L CA -1.487 53.323 54.840 -0.051 0.000 0.900 112 L CB 0.000 42.046 42.059 -0.023 0.000 1.144 112 L HN 0.061 nan 8.230 nan 0.000 0.496 113 P HA 0.000 nan 4.420 nan 0.000 0.266 113 P C -0.170 177.118 177.300 -0.019 0.000 1.195 113 P CA 0.138 63.227 63.100 -0.019 0.000 0.768 113 P CB 0.449 32.144 31.700 -0.007 0.000 0.838 114 E N -0.812 119.378 120.200 -0.017 0.000 3.801 114 E HA -0.198 4.151 4.350 -0.001 0.000 0.319 114 E C -0.384 176.202 176.600 -0.023 0.000 0.784 114 E CA 0.888 57.279 56.400 -0.014 0.000 1.183 114 E CB -2.064 27.627 29.700 -0.014 0.000 1.601 114 E HN 0.423 nan 8.360 nan 0.000 0.441 115 L N 1.219 122.422 121.223 -0.033 0.000 2.334 115 L HA 0.372 4.711 4.340 -0.001 0.000 0.273 115 L C 0.835 177.682 176.870 -0.038 0.000 1.013 115 L CA -0.776 54.039 54.840 -0.041 0.000 0.816 115 L CB 1.732 43.759 42.059 -0.052 0.000 1.278 115 L HN 0.035 nan 8.230 nan 0.000 0.431 116 S N 1.816 117.499 115.700 -0.027 0.000 2.549 116 S HA 0.376 4.845 4.470 -0.001 0.000 0.286 116 S C -0.275 174.310 174.600 -0.025 0.000 1.314 116 S CA -0.544 57.654 58.200 -0.003 0.000 1.062 116 S CB 0.742 63.958 63.200 0.027 0.000 0.865 116 S HN 0.678 nan 8.310 nan 0.000 0.498 117 N N -0.503 118.190 118.700 -0.012 0.000 3.322 117 N HA 0.442 5.181 4.740 -0.001 0.000 0.233 117 N C -1.776 173.725 175.510 -0.016 0.000 1.399 117 N CA -0.403 52.607 53.050 -0.067 0.000 0.894 117 N CB 2.081 40.494 38.487 -0.124 0.000 1.440 117 N HN 0.769 nan 8.380 nan 0.000 0.503 118 T N 0.013 114.529 114.554 -0.063 0.000 2.900 118 T HA 0.455 4.804 4.350 -0.001 0.000 0.295 118 T C -1.103 173.533 174.700 -0.107 0.000 1.044 118 T CA -0.567 61.552 62.100 0.032 0.000 0.995 118 T CB 0.845 69.862 68.868 0.248 0.000 1.072 118 T HN 0.274 nan 8.240 nan 0.000 0.473 119 K N 3.328 123.667 120.400 -0.101 0.000 2.412 119 K HA 0.333 4.652 4.320 -0.001 0.000 0.281 119 K C -0.483 175.897 176.600 -0.367 0.000 1.027 119 K CA -0.100 55.996 56.287 -0.318 0.000 0.989 119 K CB 0.453 32.719 32.500 -0.390 0.000 0.935 119 K HN 0.460 nan 8.250 nan 0.000 0.475 120 L N 5.093 126.083 121.223 -0.389 0.000 2.301 120 L HA 0.300 4.639 4.340 -0.001 0.000 0.278 120 L C -0.737 176.085 176.870 -0.080 0.000 1.022 120 L CA -0.909 53.774 54.840 -0.263 0.000 0.854 120 L CB 0.090 41.906 42.059 -0.405 0.000 1.226 120 L HN 0.479 nan 8.230 nan 0.000 0.429 121 Y N 3.297 123.741 120.300 0.241 0.000 2.309 121 Y HA 0.264 4.813 4.550 -0.001 0.000 0.327 121 Y C -1.880 174.081 175.900 0.101 0.000 1.172 121 Y CA -2.546 55.653 58.100 0.165 0.000 1.280 121 Y CB 0.163 38.690 38.460 0.113 0.000 1.234 121 Y HN 0.398 nan 8.280 nan 0.000 0.512 122 P HA 0.082 nan 4.420 nan 0.000 0.264 122 P C 0.765 178.136 177.300 0.118 0.000 1.193 122 P CA 1.518 64.680 63.100 0.104 0.000 0.763 122 P CB 0.610 32.334 31.700 0.038 0.000 0.810 123 G N 1.753 110.620 108.800 0.112 0.000 2.258 123 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.233 123 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.233 123 G C 0.206 175.194 174.900 0.146 0.000 1.006 123 G CA -0.404 44.759 45.100 0.105 0.000 0.620 123 G HN 0.561 nan 8.290 nan 0.000 0.511 124 Q N 0.285 120.216 119.800 0.218 0.000 2.361 124 Q HA 0.433 4.772 4.340 -0.001 0.000 0.276 124 Q C -0.028 176.139 176.000 0.278 0.000 1.022 124 Q CA 0.245 56.217 55.803 0.281 0.000 0.898 124 Q CB 1.576 30.568 28.738 0.424 0.000 1.246 124 Q HN 0.243 nan 8.270 nan 0.000 0.410 125 V N 3.136 123.186 119.914 0.227 0.000 2.370 125 V HA 0.283 4.403 4.120 -0.001 0.000 0.283 125 V C -0.970 175.219 176.094 0.158 0.000 1.023 125 V CA -0.635 61.780 62.300 0.192 0.000 0.857 125 V CB 0.466 32.355 31.823 0.109 0.000 0.985 125 V HN 0.661 nan 8.190 nan 0.000 0.443 126 W N 2.812 124.147 121.300 0.059 0.000 2.587 126 W HA 0.585 5.245 4.660 -0.000 0.000 0.324 126 W C 0.731 177.272 176.519 0.036 0.000 1.040 126 W CA -0.570 56.803 57.345 0.047 0.000 1.222 126 W CB 1.841 31.237 29.460 -0.107 0.000 1.381 126 W HN 0.669 nan 8.180 nan 0.000 0.483 127 T N 0.571 115.255 114.554 0.216 0.000 2.860 127 T HA 0.106 4.456 4.350 -0.001 0.000 0.299 127 T C 1.266 176.048 174.700 0.136 0.000 1.045 127 T CA -0.526 61.660 62.100 0.145 0.000 1.071 127 T CB 0.898 69.831 68.868 0.109 0.000 0.985 127 T HN 0.306 nan 8.240 nan 0.000 0.537 128 I N 1.368 121.978 120.570 0.067 0.000 2.208 128 I HA -0.174 3.995 4.170 -0.001 0.000 0.245 128 I C 2.943 179.044 176.117 -0.028 0.000 1.097 128 I CA 1.798 63.099 61.300 0.001 0.000 1.363 128 I CB -2.209 35.783 38.000 -0.013 0.000 1.051 128 I HN 0.908 nan 8.210 nan 0.000 0.413 129 A N 0.750 123.609 122.820 0.065 0.000 1.865 129 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 129 A C 2.047 179.689 177.584 0.097 0.000 1.191 129 A CA 2.191 54.317 52.037 0.148 0.000 0.623 129 A CB -0.720 18.483 19.000 0.338 0.000 0.826 129 A HN 0.340 nan 8.150 nan 0.000 0.444 130 D N -0.295 120.207 120.400 0.170 0.000 2.178 130 D HA -0.063 4.577 4.640 -0.001 0.000 0.202 130 D C 1.910 178.331 176.300 0.203 0.000 0.974 130 D CA 0.777 54.919 54.000 0.237 0.000 0.841 130 D CB -0.234 40.748 40.800 0.303 0.000 0.953 130 D HN 0.459 nan 8.370 nan 0.000 0.478 131 L N -0.040 121.244 121.223 0.102 0.000 2.056 131 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 131 L C 2.419 179.155 176.870 -0.222 0.000 1.078 131 L CA 0.531 55.315 54.840 -0.092 0.000 0.749 131 L CB -0.280 41.699 42.059 -0.134 0.000 0.901 131 L HN 0.041 nan 8.230 nan 0.000 0.433 132 L N -0.652 120.372 121.223 -0.332 0.000 2.042 132 L HA -0.254 4.086 4.340 -0.001 0.000 0.210 132 L C 2.681 179.291 176.870 -0.434 0.000 1.076 132 L CA 1.119 55.642 54.840 -0.528 0.000 0.749 132 L CB -0.460 40.965 42.059 -1.058 0.000 0.893 132 L HN 0.282 nan 8.230 nan 0.000 0.432 133 Q N 0.838 120.461 119.800 -0.295 0.000 2.079 133 Q HA -0.184 4.155 4.340 -0.001 0.000 0.200 133 Q C 2.053 177.971 176.000 -0.136 0.000 0.974 133 Q CA 1.857 57.640 55.803 -0.033 0.000 0.840 133 Q CB -0.255 28.579 28.738 0.160 0.000 0.898 133 Q HN 0.704 nan 8.270 nan 0.000 0.430 134 I N -3.161 117.288 120.570 -0.201 0.000 2.761 134 I HA -0.028 4.141 4.170 -0.001 0.000 0.261 134 I C 1.663 177.612 176.117 -0.279 0.000 1.198 134 I CA 1.109 62.191 61.300 -0.364 0.000 1.482 134 I CB -0.644 37.065 38.000 -0.484 0.000 1.100 134 I HN -0.064 nan 8.210 nan 0.000 0.445 135 T N 1.333 115.745 114.554 -0.237 0.000 2.665 135 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 135 T C 2.009 176.628 174.700 -0.135 0.000 1.035 135 T CA 2.116 64.105 62.100 -0.187 0.000 1.151 135 T CB -0.395 68.357 68.868 -0.192 0.000 0.862 135 T HN 0.390 nan 8.240 nan 0.000 0.438 136 V N 0.380 120.213 119.914 -0.135 0.000 2.346 136 V HA -0.061 4.058 4.120 -0.001 0.000 0.244 136 V C 2.433 178.420 176.094 -0.177 0.000 1.037 136 V CA 2.043 64.279 62.300 -0.107 0.000 1.029 136 V CB -0.459 31.326 31.823 -0.063 0.000 0.663 136 V HN 0.411 nan 8.190 nan 0.000 0.454 137 S N 0.590 116.171 115.700 -0.198 0.000 2.387 137 S HA -0.119 4.350 4.470 -0.001 0.000 0.226 137 S C 1.746 176.172 174.600 -0.289 0.000 1.026 137 S CA 1.846 59.886 58.200 -0.266 0.000 0.972 137 S CB -0.377 62.733 63.200 -0.150 0.000 0.814 137 S HN 0.785 nan 8.310 nan 0.000 0.477 138 N N 0.506 119.125 118.700 -0.135 0.000 2.254 138 N HA 0.075 4.814 4.740 -0.001 0.000 0.190 138 N C -0.343 175.301 175.510 0.223 0.000 1.107 138 N CA 0.284 53.398 53.050 0.107 0.000 0.869 138 N CB 0.181 38.639 38.487 -0.048 0.000 0.983 138 N HN -0.005 nan 8.380 nan 0.000 0.487 139 S N -0.255 115.515 115.700 0.116 0.000 3.550 139 S HA -0.221 4.248 4.470 -0.001 0.000 0.372 139 S C -0.117 174.488 174.600 0.008 0.000 0.966 139 S CA 0.686 58.942 58.200 0.094 0.000 1.229 139 S CB -2.295 61.022 63.200 0.195 0.000 0.917 139 S HN 0.499 nan 8.310 nan 0.000 0.496 140 S N 1.041 116.693 115.700 -0.080 0.000 2.466 140 S HA 0.170 4.640 4.470 -0.001 0.000 0.286 140 S C 1.469 175.976 174.600 -0.155 0.000 1.221 140 S CA -0.567 57.547 58.200 -0.142 0.000 1.091 140 S CB 0.204 63.257 63.200 -0.245 0.000 0.956 140 S HN 0.499 nan 8.310 nan 0.000 0.501 141 N N 4.445 123.062 118.700 -0.139 0.000 2.120 141 N HA -0.133 4.606 4.740 -0.001 0.000 0.188 141 N C 1.935 177.315 175.510 -0.217 0.000 1.024 141 N CA 1.500 54.460 53.050 -0.150 0.000 0.852 141 N CB -0.391 38.022 38.487 -0.124 0.000 1.003 141 N HN 0.765 nan 8.380 nan 0.000 0.424 142 A N 1.207 123.865 122.820 -0.271 0.000 1.898 142 A HA 0.062 4.381 4.320 -0.001 0.000 0.216 142 A C 2.404 179.776 177.584 -0.352 0.000 1.181 142 A CA 1.646 53.476 52.037 -0.345 0.000 0.620 142 A CB -0.686 18.076 19.000 -0.396 0.000 0.819 142 A HN 0.325 nan 8.150 nan 0.000 0.442 143 A N 0.108 122.713 122.820 -0.360 0.000 1.883 143 A HA 0.080 4.399 4.320 -0.001 0.000 0.217 143 A C 2.520 179.921 177.584 -0.305 0.000 1.186 143 A CA 2.322 54.141 52.037 -0.364 0.000 0.624 143 A CB -1.109 17.669 19.000 -0.369 0.000 0.822 143 A HN 1.107 nan 8.150 nan 0.000 0.444 144 A N -0.322 122.340 122.820 -0.263 0.000 1.908 144 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 144 A C 2.185 179.590 177.584 -0.300 0.000 1.181 144 A CA 1.623 53.510 52.037 -0.250 0.000 0.627 144 A CB -0.636 18.259 19.000 -0.175 0.000 0.818 144 A HN 0.497 nan 8.150 nan 0.000 0.445 145 L N -0.805 120.256 121.223 -0.271 0.000 2.056 145 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 145 L C 2.476 179.170 176.870 -0.294 0.000 1.078 145 L CA 1.203 55.885 54.840 -0.263 0.000 0.749 145 L CB -0.512 41.405 42.059 -0.237 0.000 0.901 145 L HN 0.369 nan 8.230 nan 0.000 0.433 146 I N -0.332 120.060 120.570 -0.297 0.000 2.226 146 I HA -0.306 3.864 4.170 -0.001 0.000 0.245 146 I C 2.407 178.357 176.117 -0.277 0.000 1.100 146 I CA 1.335 62.475 61.300 -0.267 0.000 1.374 146 I CB -0.223 37.612 38.000 -0.276 0.000 1.057 146 I HN 0.193 nan 8.210 nan 0.000 0.413 147 L N 0.432 121.462 121.223 -0.321 0.000 2.083 147 L HA -0.200 4.139 4.340 -0.001 0.000 0.209 147 L C 2.872 179.429 176.870 -0.522 0.000 1.083 147 L CA 1.238 55.872 54.840 -0.343 0.000 0.752 147 L CB -0.778 41.084 42.059 -0.328 0.000 0.899 147 L HN 0.245 nan 8.230 nan 0.000 0.433 148 A N 0.318 122.663 122.820 -0.791 0.000 1.917 148 A HA -0.264 4.056 4.320 -0.001 0.000 0.219 148 A C 2.290 179.554 177.584 -0.534 0.000 1.182 148 A CA 1.996 53.250 52.037 -1.305 0.000 0.633 148 A CB -0.397 17.998 19.000 -1.008 0.000 0.819 148 A HN 0.339 nan 8.150 nan 0.000 0.448 149 K N -0.794 119.418 120.400 -0.313 0.000 2.366 149 K HA 0.004 4.323 4.320 -0.001 0.000 0.198 149 K C 1.583 178.117 176.600 -0.110 0.000 1.044 149 K CA 0.724 56.925 56.287 -0.144 0.000 0.973 149 K CB 0.119 32.553 32.500 -0.110 0.000 0.767 149 K HN 0.203 nan 8.250 nan 0.000 0.475 150 K N 0.104 120.415 120.400 -0.148 0.000 2.314 150 K HA 0.046 4.365 4.320 -0.001 0.000 0.198 150 K C 1.785 178.350 176.600 -0.059 0.000 1.045 150 K CA 0.591 56.823 56.287 -0.091 0.000 0.988 150 K CB 0.306 32.748 32.500 -0.097 0.000 0.783 150 K HN -0.035 nan 8.250 nan 0.000 0.484 151 V N 0.584 120.459 119.914 -0.065 0.000 2.725 151 V HA -0.010 4.109 4.120 -0.001 0.000 0.247 151 V C 0.866 177.017 176.094 0.095 0.000 1.058 151 V CA 0.839 63.165 62.300 0.043 0.000 1.080 151 V CB 0.222 32.147 31.823 0.170 0.000 0.713 151 V HN 0.069 nan 8.190 nan 0.000 0.465 152 S N -1.540 114.226 115.700 0.109 0.000 2.709 152 S HA 0.388 4.857 4.470 -0.001 0.000 0.302 152 S C 0.671 175.307 174.600 0.060 0.000 1.127 152 S CA -0.754 57.515 58.200 0.116 0.000 0.905 152 S CB 2.221 65.549 63.200 0.215 0.000 1.151 152 S HN 0.155 nan 8.310 nan 0.000 0.510 153 K N 0.813 121.246 120.400 0.054 0.000 2.063 153 K HA -0.105 4.214 4.320 -0.001 0.000 0.208 153 K C 0.245 176.867 176.600 0.037 0.000 1.048 153 K CA 1.665 57.974 56.287 0.037 0.000 0.928 153 K CB -0.201 32.319 32.500 0.034 0.000 0.713 153 K HN 0.678 nan 8.250 nan 0.000 0.442 154 N N -2.866 115.868 118.700 0.057 0.000 3.039 154 N HA -0.012 4.727 4.740 -0.001 0.000 0.257 154 N C 0.357 175.919 175.510 0.086 0.000 1.497 154 N CA -0.347 52.736 53.050 0.055 0.000 0.861 154 N CB 0.703 39.222 38.487 0.053 0.000 1.479 154 N HN -0.134 nan 8.380 nan 0.000 0.547 155 T N -2.885 111.716 114.554 0.078 0.000 2.904 155 T HA -0.059 4.290 4.350 -0.001 0.000 0.267 155 T C 1.329 176.125 174.700 0.159 0.000 1.059 155 T CA 1.686 63.847 62.100 0.101 0.000 1.137 155 T CB -0.779 68.124 68.868 0.059 0.000 0.879 155 T HN 0.378 nan 8.240 nan 0.000 0.467 156 S N 1.841 117.636 115.700 0.159 0.000 2.368 156 S HA -0.109 4.360 4.470 -0.001 0.000 0.225 156 S C 1.775 176.502 174.600 0.211 0.000 1.030 156 S CA 1.439 59.776 58.200 0.228 0.000 0.999 156 S CB -0.583 62.727 63.200 0.184 0.000 0.844 156 S HN 0.579 nan 8.310 nan 0.000 0.459 157 D N 0.559 121.046 120.400 0.144 0.000 2.178 157 D HA -0.028 4.611 4.640 -0.001 0.000 0.201 157 D C 1.499 177.851 176.300 0.087 0.000 0.980 157 D CA 0.559 54.622 54.000 0.104 0.000 0.842 157 D CB -0.342 40.505 40.800 0.079 0.000 0.948 157 D HN 0.353 nan 8.370 nan 0.000 0.472 158 F N 1.140 121.086 119.950 -0.006 0.000 2.134 158 F HA -0.205 4.321 4.527 -0.001 0.000 0.299 158 F C 2.159 177.906 175.800 -0.087 0.000 1.097 158 F CA 1.028 58.994 58.000 -0.057 0.000 1.264 158 F CB -0.138 38.815 39.000 -0.079 0.000 1.001 158 F HN -0.203 nan 8.300 nan 0.000 0.479 159 V N 0.227 120.120 119.914 -0.034 0.000 2.427 159 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 159 V C 2.002 178.005 176.094 -0.152 0.000 1.051 159 V CA 1.952 64.112 62.300 -0.233 0.000 1.048 159 V CB -0.738 30.797 31.823 -0.480 0.000 0.666 159 V HN 0.262 nan 8.190 nan 0.000 0.456 160 D N 0.141 120.574 120.400 0.056 0.000 2.104 160 D HA -0.188 4.451 4.640 -0.001 0.000 0.194 160 D C 1.995 178.257 176.300 -0.062 0.000 0.994 160 D CA 1.269 55.320 54.000 0.085 0.000 0.830 160 D CB -0.410 40.450 40.800 0.099 0.000 0.959 160 D HN 0.332 nan 8.370 nan 0.000 0.452 161 L N 0.462 121.571 121.223 -0.190 0.000 2.013 161 L HA -0.186 4.154 4.340 -0.001 0.000 0.212 161 L C 2.306 178.973 176.870 -0.338 0.000 1.073 161 L CA 1.627 56.290 54.840 -0.295 0.000 0.753 161 L CB -0.490 41.297 42.059 -0.454 0.000 0.890 161 L HN 0.027 nan 8.230 nan 0.000 0.432 162 M N -0.902 118.409 119.600 -0.482 0.000 2.080 162 M HA -0.231 4.248 4.480 -0.001 0.000 0.260 162 M C 1.945 178.215 176.300 -0.050 0.000 1.068 162 M CA 1.876 56.920 55.300 -0.427 0.000 1.109 162 M CB -0.656 31.553 32.600 -0.650 0.000 1.342 162 M HN 0.337 nan 8.290 nan 0.000 0.405 163 N N 0.384 119.116 118.700 0.053 0.000 2.216 163 N HA -0.089 4.650 4.740 -0.001 0.000 0.183 163 N C 1.343 176.916 175.510 0.104 0.000 1.017 163 N CA 1.025 54.185 53.050 0.183 0.000 0.861 163 N CB -0.582 38.029 38.487 0.207 0.000 0.986 163 N HN 0.354 nan 8.380 nan 0.000 0.428 164 N N 1.304 120.023 118.700 0.033 0.000 2.166 164 N HA -0.143 4.596 4.740 -0.001 0.000 0.186 164 N C 1.702 177.210 175.510 -0.003 0.000 1.019 164 N CA 0.883 53.940 53.050 0.010 0.000 0.856 164 N CB -0.204 38.271 38.487 -0.021 0.000 0.993 164 N HN 0.220 nan 8.380 nan 0.000 0.426 165 K N 1.363 121.746 120.400 -0.029 0.000 2.057 165 K HA 0.076 4.395 4.320 -0.001 0.000 0.207 165 K C 1.769 178.385 176.600 0.027 0.000 1.049 165 K CA 1.321 57.597 56.287 -0.018 0.000 0.931 165 K CB -0.604 31.875 32.500 -0.034 0.000 0.714 165 K HN 0.081 nan 8.250 nan 0.000 0.440 166 A N 0.921 123.800 122.820 0.097 0.000 1.908 166 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 166 A C 1.986 179.604 177.584 0.056 0.000 1.181 166 A CA 2.015 54.124 52.037 0.121 0.000 0.627 166 A CB -0.487 18.638 19.000 0.209 0.000 0.818 166 A HN 0.407 nan 8.150 nan 0.000 0.445 167 K N -0.408 120.024 120.400 0.054 0.000 2.026 167 K HA -0.021 4.298 4.320 -0.001 0.000 0.208 167 K C 2.283 178.889 176.600 0.011 0.000 1.048 167 K CA 1.172 57.479 56.287 0.034 0.000 0.929 167 K CB -0.338 32.183 32.500 0.036 0.000 0.713 167 K HN 0.419 nan 8.250 nan 0.000 0.439 168 A N 1.607 124.425 122.820 -0.002 0.000 2.019 168 A HA -0.102 4.217 4.320 -0.001 0.000 0.219 168 A C 1.991 179.550 177.584 -0.043 0.000 1.164 168 A CA 1.311 53.338 52.037 -0.018 0.000 0.644 168 A CB -0.685 18.301 19.000 -0.023 0.000 0.805 168 A HN 0.510 nan 8.150 nan 0.000 0.449 169 I N -5.506 115.013 120.570 -0.084 0.000 3.928 169 I HA 0.525 4.695 4.170 -0.001 0.000 0.335 169 I C 1.024 177.117 176.117 -0.039 0.000 1.325 169 I CA 0.519 61.715 61.300 -0.173 0.000 1.107 169 I CB 0.139 37.793 38.000 -0.576 0.000 1.014 169 I HN 0.304 nan 8.210 nan 0.000 0.400 170 G N 2.239 111.039 108.800 0.001 0.000 2.132 170 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.228 170 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.228 170 G C 0.118 175.043 174.900 0.042 0.000 1.000 170 G CA 0.074 45.196 45.100 0.036 0.000 0.693 170 G HN 0.432 nan 8.290 nan 0.000 0.515 171 M N 0.611 120.230 119.600 0.033 0.000 3.237 171 M HA 0.253 4.732 4.480 -0.001 0.000 0.266 171 M C 1.555 177.875 176.300 0.034 0.000 1.456 171 M CA 0.172 55.497 55.300 0.041 0.000 1.593 171 M CB 0.117 32.748 32.600 0.053 0.000 1.129 171 M HN 0.146 nan 8.290 nan 0.000 0.547 172 K N 0.509 120.927 120.400 0.031 0.000 2.283 172 K HA -0.028 4.291 4.320 -0.001 0.000 0.202 172 K C 0.692 177.300 176.600 0.014 0.000 1.048 172 K CA 0.726 57.027 56.287 0.023 0.000 0.948 172 K CB 0.126 32.639 32.500 0.021 0.000 0.742 172 K HN 0.520 nan 8.250 nan 0.000 0.458 173 N N 0.720 119.427 118.700 0.012 0.000 2.321 173 N HA 0.046 4.785 4.740 -0.001 0.000 0.242 173 N C -0.834 174.666 175.510 -0.018 0.000 1.141 173 N CA 0.250 53.302 53.050 0.003 0.000 0.864 173 N CB 1.301 39.794 38.487 0.011 0.000 1.100 173 N HN -0.065 nan 8.380 nan 0.000 0.510 174 T N -0.156 114.374 114.554 -0.041 0.000 2.829 174 T HA 0.276 4.626 4.350 -0.001 0.000 0.280 174 T C -1.168 173.434 174.700 -0.163 0.000 0.999 174 T CA -0.300 61.704 62.100 -0.160 0.000 0.983 174 T CB 1.928 70.683 68.868 -0.188 0.000 0.968 174 T HN 0.195 nan 8.240 nan 0.000 0.446 175 H N 1.841 120.667 119.070 -0.406 0.000 2.877 175 H HA 0.551 5.106 4.556 -0.001 0.000 0.347 175 H C -1.773 173.318 175.328 -0.395 0.000 1.042 175 H CA -0.797 55.075 56.048 -0.292 0.000 1.276 175 H CB 0.456 30.159 29.762 -0.098 0.000 1.681 175 H HN 0.426 nan 8.280 nan 0.000 0.521 176 F N 4.110 123.734 119.950 -0.543 0.000 2.425 176 F HA 0.314 4.840 4.527 -0.001 0.000 0.331 176 F C 1.097 176.475 175.800 -0.703 0.000 1.085 176 F CA -0.383 57.344 58.000 -0.455 0.000 1.028 176 F CB 1.847 40.664 39.000 -0.306 0.000 1.177 176 F HN 0.469 nan 8.300 nan 0.000 0.487 177 V N -1.062 118.699 119.914 -0.255 0.000 3.398 177 V HA 0.446 4.565 4.120 -0.001 0.000 0.298 177 V C -0.688 175.253 176.094 -0.255 0.000 1.496 177 V CA 0.097 62.200 62.300 -0.328 0.000 1.044 177 V CB -0.631 31.173 31.823 -0.032 0.000 0.880 177 V HN 0.887 nan 8.190 nan 0.000 0.443 178 N N -1.677 116.929 118.700 -0.158 0.000 3.355 178 N HA 0.442 5.181 4.740 -0.001 0.000 0.238 178 N C -3.201 172.289 175.510 -0.033 0.000 1.466 178 N CA -0.775 52.225 53.050 -0.082 0.000 0.882 178 N CB 0.587 39.060 38.487 -0.024 0.000 1.406 178 N HN -0.151 nan 8.380 nan 0.000 0.500 179 P HA 0.103 nan 4.420 nan 0.000 0.245 179 P C 0.451 177.733 177.300 -0.030 0.000 1.212 179 P CA 0.974 64.080 63.100 0.010 0.000 0.774 179 P CB 0.168 31.827 31.700 -0.068 0.000 0.999 180 T N -6.229 108.312 114.554 -0.022 0.000 2.964 180 T HA 0.377 4.726 4.350 -0.001 0.000 0.250 180 T C 1.614 176.316 174.700 0.003 0.000 0.982 180 T CA 0.882 62.966 62.100 -0.026 0.000 0.959 180 T CB -0.354 68.483 68.868 -0.052 0.000 1.141 180 T HN 0.121 nan 8.240 nan 0.000 0.494 181 G N 1.768 110.579 108.800 0.019 0.000 2.241 181 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.244 181 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.244 181 G C 0.498 175.378 174.900 -0.032 0.000 0.998 181 G CA 0.051 45.159 45.100 0.013 0.000 0.621 181 G HN 1.314 nan 8.290 nan 0.000 0.519 182 A N 0.295 123.093 122.820 -0.036 0.000 2.466 182 A HA 0.547 4.866 4.320 -0.001 0.000 0.238 182 A C 0.536 178.093 177.584 -0.045 0.000 1.074 182 A CA 0.664 52.671 52.037 -0.050 0.000 0.774 182 A CB 0.159 19.135 19.000 -0.040 0.000 1.015 182 A HN 0.557 nan 8.150 nan 0.000 0.498 183 E N 0.995 121.162 120.200 -0.056 0.000 2.413 183 E HA 0.018 4.367 4.350 -0.001 0.000 0.263 183 E C 0.830 177.417 176.600 -0.021 0.000 1.015 183 E CA -0.006 56.367 56.400 -0.045 0.000 0.916 183 E CB 0.321 29.989 29.700 -0.054 0.000 0.947 183 E HN 0.585 nan 8.360 nan 0.000 0.440 184 N N 0.983 119.679 118.700 -0.006 0.000 2.272 184 N HA -0.154 4.585 4.740 -0.001 0.000 0.185 184 N C 1.330 176.845 175.510 0.008 0.000 1.014 184 N CA 1.301 54.358 53.050 0.012 0.000 0.870 184 N CB -0.122 38.385 38.487 0.033 0.000 0.975 184 N HN 0.501 nan 8.380 nan 0.000 0.433 185 S N -0.075 115.622 115.700 -0.004 0.000 2.489 185 S HA 0.066 4.535 4.470 -0.001 0.000 0.228 185 S C 1.702 176.298 174.600 -0.006 0.000 0.995 185 S CA 0.186 58.382 58.200 -0.007 0.000 0.934 185 S CB 0.005 63.197 63.200 -0.013 0.000 0.771 185 S HN 0.229 nan 8.310 nan 0.000 0.522 186 R N 0.667 121.163 120.500 -0.007 0.000 2.189 186 R HA 0.221 4.560 4.340 -0.001 0.000 0.218 186 R C 1.750 178.063 176.300 0.023 0.000 1.074 186 R CA 0.790 56.888 56.100 -0.003 0.000 0.991 186 R CB -0.476 29.814 30.300 -0.018 0.000 0.883 186 R HN 0.446 nan 8.270 nan 0.000 0.457 187 L N 0.343 121.588 121.223 0.036 0.000 2.465 187 L HA -0.034 4.306 4.340 -0.001 0.000 0.224 187 L C 0.934 177.866 176.870 0.105 0.000 1.145 187 L CA 0.514 55.413 54.840 0.098 0.000 0.834 187 L CB -0.354 41.759 42.059 0.089 0.000 0.944 187 L HN 0.213 nan 8.230 nan 0.000 0.451 188 R N -0.147 120.364 120.500 0.018 0.000 3.853 188 R HA -0.327 4.012 4.340 -0.001 0.000 0.440 188 R C 1.709 177.917 176.300 -0.153 0.000 0.241 188 R CA 1.882 57.948 56.100 -0.057 0.000 1.395 188 R CB -1.596 28.671 30.300 -0.056 0.000 0.984 188 R HN 0.406 nan 8.270 nan 0.000 0.570 189 S N 0.199 115.684 115.700 -0.358 0.000 2.515 189 S HA -0.024 4.445 4.470 -0.001 0.000 0.231 189 S C 1.487 175.768 174.600 -0.532 0.000 0.987 189 S CA 1.281 59.202 58.200 -0.466 0.000 0.936 189 S CB -0.102 62.764 63.200 -0.556 0.000 0.766 189 S HN 0.404 nan 8.310 nan 0.000 0.528 190 F N 2.179 122.114 119.950 -0.025 0.000 2.765 190 F HA 0.529 5.055 4.527 -0.001 0.000 0.302 190 F C 1.509 177.297 175.800 -0.021 0.000 1.111 190 F CA -0.770 57.212 58.000 -0.031 0.000 1.359 190 F CB -0.792 38.176 39.000 -0.053 0.000 1.097 190 F HN 0.215 nan 8.300 nan 0.000 0.577 191 A N 1.474 124.341 122.820 0.078 0.000 2.483 191 A HA 0.304 4.623 4.320 -0.001 0.000 0.238 191 A C -2.255 175.376 177.584 0.078 0.000 1.070 191 A CA -1.060 51.019 52.037 0.070 0.000 0.770 191 A CB -0.546 18.481 19.000 0.044 0.000 1.008 191 A HN -0.046 nan 8.150 nan 0.000 0.497 192 P HA 0.193 nan 4.420 nan 0.000 0.276 192 P C 0.905 178.290 177.300 0.141 0.000 1.235 192 P CA -0.066 63.121 63.100 0.144 0.000 0.772 192 P CB 0.677 32.508 31.700 0.219 0.000 0.871 193 T N 2.638 117.248 114.554 0.093 0.000 2.620 193 T HA -0.256 4.093 4.350 -0.001 0.000 0.267 193 T C 1.552 176.279 174.700 0.045 0.000 1.044 193 T CA 1.796 63.927 62.100 0.051 0.000 1.161 193 T CB -0.407 68.480 68.868 0.032 0.000 0.862 193 T HN 0.511 nan 8.240 nan 0.000 0.438 194 K N -0.361 120.069 120.400 0.050 0.000 2.362 194 K HA -0.064 4.255 4.320 -0.001 0.000 0.200 194 K C 0.804 177.281 176.600 -0.205 0.000 1.046 194 K CA 1.127 57.365 56.287 -0.081 0.000 0.952 194 K CB -0.029 32.389 32.500 -0.138 0.000 0.753 194 K HN 0.457 nan 8.250 nan 0.000 0.466 195 Y N -0.083 120.240 120.300 0.038 0.000 2.612 195 Y HA 0.216 4.765 4.550 -0.001 0.000 0.250 195 Y C 1.373 177.293 175.900 0.034 0.000 1.175 195 Y CA -0.411 57.718 58.100 0.049 0.000 1.205 195 Y CB 0.602 39.092 38.460 0.051 0.000 1.201 195 Y HN -0.070 nan 8.280 nan 0.000 0.532 196 K N 1.120 121.596 120.400 0.126 0.000 2.211 196 K HA -0.184 4.135 4.320 -0.001 0.000 0.204 196 K C 1.206 177.840 176.600 0.057 0.000 1.047 196 K CA 1.913 58.247 56.287 0.079 0.000 0.935 196 K CB 0.034 32.557 32.500 0.038 0.000 0.728 196 K HN 0.472 nan 8.250 nan 0.000 0.452 197 D N -0.287 120.144 120.400 0.052 0.000 2.333 197 D HA -0.101 4.538 4.640 -0.001 0.000 0.208 197 D C -0.112 176.219 176.300 0.050 0.000 0.984 197 D CA 0.325 54.345 54.000 0.034 0.000 0.873 197 D CB 0.041 40.850 40.800 0.015 0.000 0.935 197 D HN 0.257 nan 8.370 nan 0.000 0.521 198 Q N 0.418 120.274 119.800 0.094 0.000 2.278 198 Q HA 0.202 4.541 4.340 -0.001 0.000 0.257 198 Q C 0.396 176.444 176.000 0.080 0.000 0.928 198 Q CA -0.500 55.368 55.803 0.109 0.000 0.932 198 Q CB 2.155 31.018 28.738 0.208 0.000 1.221 198 Q HN -0.050 nan 8.270 nan 0.000 0.434 199 E N 1.719 121.944 120.200 0.041 0.000 2.099 199 E HA 0.058 4.407 4.350 -0.001 0.000 0.191 199 E C -0.038 176.558 176.600 -0.008 0.000 0.962 199 E CA 0.830 57.236 56.400 0.010 0.000 0.826 199 E CB 0.512 30.205 29.700 -0.012 0.000 0.788 199 E HN 0.434 nan 8.360 nan 0.000 0.461 200 R N 0.625 121.117 120.500 -0.014 0.000 2.532 200 R HA 0.407 4.747 4.340 -0.001 0.000 0.295 200 R C -0.374 175.901 176.300 -0.043 0.000 0.968 200 R CA -0.236 55.833 56.100 -0.052 0.000 0.916 200 R CB 1.580 31.831 30.300 -0.082 0.000 1.124 200 R HN -0.128 nan 8.270 nan 0.000 0.463 201 T N 1.866 116.376 114.554 -0.072 0.000 2.889 201 T HA 0.371 4.720 4.350 -0.001 0.000 0.291 201 T C -0.240 174.379 174.700 -0.134 0.000 0.995 201 T CA -0.421 61.624 62.100 -0.091 0.000 1.092 201 T CB 1.229 70.077 68.868 -0.034 0.000 0.954 201 T HN 0.143 nan 8.240 nan 0.000 0.506 202 V N 2.012 121.825 119.914 -0.167 0.000 2.789 202 V HA 0.849 4.969 4.120 -0.001 0.000 0.311 202 V C 0.145 176.136 176.094 -0.172 0.000 1.073 202 V CA -0.616 61.602 62.300 -0.136 0.000 0.921 202 V CB 2.258 34.040 31.823 -0.069 0.000 1.009 202 V HN 1.028 nan 8.190 nan 0.000 0.426 203 T N 1.520 116.024 114.554 -0.085 0.000 2.648 203 T HA 0.725 5.074 4.350 -0.001 0.000 0.304 203 T C -0.937 173.791 174.700 0.046 0.000 1.312 203 T CA 0.400 62.479 62.100 -0.035 0.000 1.023 203 T CB 2.008 70.878 68.868 0.003 0.000 1.612 203 T HN 1.111 nan 8.240 nan 0.000 0.487 204 T N -1.122 113.484 114.554 0.086 0.000 2.865 204 T HA 0.760 5.109 4.350 -0.001 0.000 0.294 204 T C 1.349 176.117 174.700 0.114 0.000 1.119 204 T CA -0.007 62.146 62.100 0.088 0.000 1.007 204 T CB 1.148 70.051 68.868 0.059 0.000 1.225 204 T HN 0.806 nan 8.240 nan 0.000 0.515 205 A N 0.735 123.603 122.820 0.080 0.000 1.877 205 A HA -0.032 4.287 4.320 -0.001 0.000 0.216 205 A C 2.374 180.016 177.584 0.098 0.000 1.186 205 A CA 1.699 53.791 52.037 0.091 0.000 0.620 205 A CB -0.877 18.156 19.000 0.055 0.000 0.822 205 A HN 0.893 nan 8.150 nan 0.000 0.443 206 R N -0.488 120.048 120.500 0.062 0.000 2.081 206 R HA -0.174 4.165 4.340 -0.001 0.000 0.235 206 R C 1.302 177.643 176.300 0.070 0.000 1.131 206 R CA 1.920 58.048 56.100 0.047 0.000 0.960 206 R CB -0.357 29.959 30.300 0.025 0.000 0.856 206 R HN 0.454 nan 8.270 nan 0.000 0.436 207 D N -0.714 119.747 120.400 0.101 0.000 2.178 207 D HA -0.146 4.494 4.640 -0.001 0.000 0.202 207 D C 1.535 177.910 176.300 0.125 0.000 0.974 207 D CA 1.013 55.077 54.000 0.107 0.000 0.841 207 D CB -0.246 40.625 40.800 0.118 0.000 0.953 207 D HN 0.245 nan 8.370 nan 0.000 0.478 208 Y N 1.144 121.467 120.300 0.038 0.000 2.314 208 Y HA -0.015 4.534 4.550 -0.001 0.000 0.293 208 Y C 2.332 178.241 175.900 0.015 0.000 1.129 208 Y CA 0.750 58.877 58.100 0.045 0.000 1.201 208 Y CB -0.346 38.154 38.460 0.066 0.000 0.999 208 Y HN -0.071 nan 8.280 nan 0.000 0.541 209 A N -0.223 122.643 122.820 0.077 0.000 1.930 209 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 209 A C 2.224 179.768 177.584 -0.067 0.000 1.175 209 A CA 1.572 53.605 52.037 -0.006 0.000 0.627 209 A CB -0.916 18.077 19.000 -0.012 0.000 0.815 209 A HN 0.453 nan 8.150 nan 0.000 0.443 210 I N -0.807 119.743 120.570 -0.034 0.000 2.202 210 I HA -0.219 3.951 4.170 -0.001 0.000 0.242 210 I C 2.415 178.545 176.117 0.022 0.000 1.091 210 I CA 1.090 62.399 61.300 0.014 0.000 1.368 210 I CB -0.295 37.751 38.000 0.077 0.000 1.058 210 I HN 0.396 nan 8.210 nan 0.000 0.410 211 L N 1.093 122.239 121.223 -0.128 0.000 1.989 211 L HA -0.279 4.061 4.340 -0.001 0.000 0.211 211 L C 1.984 178.693 176.870 -0.268 0.000 1.071 211 L CA 2.083 56.754 54.840 -0.281 0.000 0.749 211 L CB -0.940 40.786 42.059 -0.555 0.000 0.890 211 L HN 0.195 nan 8.230 nan 0.000 0.431 212 D N -0.326 119.946 120.400 -0.214 0.000 2.149 212 D HA -0.260 4.380 4.640 -0.001 0.000 0.194 212 D C 2.303 178.516 176.300 -0.144 0.000 1.001 212 D CA 2.021 55.926 54.000 -0.158 0.000 0.849 212 D CB -0.390 40.348 40.800 -0.104 0.000 0.939 212 D HN 0.407 nan 8.370 nan 0.000 0.449 213 L N 0.043 121.182 121.223 -0.141 0.000 2.017 213 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 213 L C 2.572 179.357 176.870 -0.143 0.000 1.073 213 L CA 1.159 55.897 54.840 -0.168 0.000 0.745 213 L CB -0.493 41.373 42.059 -0.322 0.000 0.894 213 L HN 0.212 nan 8.230 nan 0.000 0.432 214 H N -0.849 118.167 119.070 -0.090 0.000 2.321 214 H HA -0.132 4.424 4.556 -0.001 0.000 0.300 214 H C 2.433 177.657 175.328 -0.173 0.000 1.087 214 H CA 1.807 57.802 56.048 -0.088 0.000 1.319 214 H CB -0.036 29.649 29.762 -0.129 0.000 1.379 214 H HN 0.143 nan 8.280 nan 0.000 0.501 215 V N 1.483 121.231 119.914 -0.277 0.000 2.295 215 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 215 V C 2.698 178.772 176.094 -0.032 0.000 1.049 215 V CA 1.205 63.366 62.300 -0.231 0.000 1.024 215 V CB -0.432 31.217 31.823 -0.289 0.000 0.648 215 V HN 0.296 nan 8.190 nan 0.000 0.447 216 I N 0.262 120.798 120.570 -0.057 0.000 2.208 216 I HA -0.231 3.938 4.170 -0.001 0.000 0.245 216 I C 2.431 178.547 176.117 -0.002 0.000 1.097 216 I CA 2.004 63.287 61.300 -0.028 0.000 1.363 216 I CB -0.960 37.010 38.000 -0.051 0.000 1.051 216 I HN 0.375 nan 8.210 nan 0.000 0.413 217 K N 1.148 121.547 120.400 -0.002 0.000 2.098 217 K HA -0.083 4.236 4.320 -0.001 0.000 0.203 217 K C 1.873 178.507 176.600 0.056 0.000 1.051 217 K CA 1.351 57.648 56.287 0.017 0.000 0.957 217 K CB 0.018 32.514 32.500 -0.006 0.000 0.738 217 K HN 0.305 nan 8.250 nan 0.000 0.447 218 E N -0.769 119.494 120.200 0.106 0.000 2.307 218 E HA 0.028 4.377 4.350 -0.001 0.000 0.195 218 E C -0.125 176.567 176.600 0.155 0.000 0.975 218 E CA 1.057 57.549 56.400 0.152 0.000 0.878 218 E CB 0.695 30.555 29.700 0.267 0.000 0.845 218 E HN 0.377 nan 8.360 nan 0.000 0.488 219 T N -1.280 113.377 114.554 0.172 0.000 3.585 219 T HA 0.213 4.562 4.350 -0.001 0.000 0.252 219 T C -2.301 172.469 174.700 0.116 0.000 1.382 219 T CA -1.568 60.628 62.100 0.160 0.000 1.584 219 T CB 0.859 69.869 68.868 0.237 0.000 0.892 219 T HN -0.169 nan 8.240 nan 0.000 0.671 220 P HA -0.109 nan 4.420 nan 0.000 0.221 220 P C 1.383 178.710 177.300 0.045 0.000 1.145 220 P CA 0.841 63.969 63.100 0.046 0.000 0.795 220 P CB 0.305 32.021 31.700 0.028 0.000 0.775 221 K N 0.807 121.244 120.400 0.062 0.000 2.286 221 K HA -0.127 4.192 4.320 -0.001 0.000 0.203 221 K C 2.034 178.698 176.600 0.108 0.000 1.045 221 K CA 0.844 57.164 56.287 0.055 0.000 0.935 221 K CB -1.425 31.128 32.500 0.089 0.000 0.737 221 K HN 0.100 nan 8.250 nan 0.000 0.460 222 I N 0.193 120.871 120.570 0.179 0.000 2.335 222 I HA -0.253 3.916 4.170 -0.001 0.000 0.251 222 I C 1.477 177.706 176.117 0.186 0.000 1.129 222 I CA 1.108 62.573 61.300 0.276 0.000 1.402 222 I CB 0.058 38.164 38.000 0.176 0.000 1.069 222 I HN 0.212 nan 8.210 nan 0.000 0.424 223 L N 0.094 121.357 121.223 0.066 0.000 2.265 223 L HA -0.215 4.124 4.340 -0.001 0.000 0.215 223 L C 1.941 178.787 176.870 -0.040 0.000 1.117 223 L CA 0.828 55.676 54.840 0.014 0.000 0.782 223 L CB -0.822 41.230 42.059 -0.010 0.000 0.914 223 L HN 0.239 nan 8.230 nan 0.000 0.441 224 D N 0.100 120.421 120.400 -0.132 0.000 2.144 224 D HA -0.169 4.470 4.640 -0.001 0.000 0.199 224 D C 2.031 178.135 176.300 -0.328 0.000 0.984 224 D CA 1.475 55.300 54.000 -0.292 0.000 0.834 224 D CB -0.069 40.431 40.800 -0.499 0.000 0.955 224 D HN 0.236 nan 8.370 nan 0.000 0.465 225 F N 0.601 120.540 119.950 -0.018 0.000 2.187 225 F HA -0.049 4.477 4.527 -0.001 0.000 0.295 225 F C 2.673 178.447 175.800 -0.043 0.000 1.091 225 F CA 1.251 59.234 58.000 -0.028 0.000 1.308 225 F CB -1.146 37.839 39.000 -0.025 0.000 1.030 225 F HN -0.053 nan 8.300 nan 0.000 0.487 226 T N -1.000 113.639 114.554 0.141 0.000 3.035 226 T HA -0.140 4.209 4.350 -0.001 0.000 0.268 226 T C 1.604 176.303 174.700 -0.002 0.000 1.109 226 T CA 1.061 63.191 62.100 0.051 0.000 1.119 226 T CB -0.559 68.329 68.868 0.034 0.000 0.900 226 T HN 0.456 nan 8.240 nan 0.000 0.503 227 K N 0.312 120.707 120.400 -0.008 0.000 2.400 227 K HA 0.116 4.436 4.320 -0.001 0.000 0.194 227 K C 0.538 177.125 176.600 -0.022 0.000 1.033 227 K CA -0.168 56.106 56.287 -0.023 0.000 1.021 227 K CB 0.077 32.558 32.500 -0.031 0.000 0.808 227 K HN 0.161 nan 8.250 nan 0.000 0.505 228 Q N 1.667 121.457 119.800 -0.017 0.000 2.255 228 Q HA 0.033 4.372 4.340 -0.001 0.000 0.280 228 Q C 1.023 177.013 176.000 -0.017 0.000 1.068 228 Q CA 0.282 56.076 55.803 -0.015 0.000 0.911 228 Q CB 1.078 29.817 28.738 0.000 0.000 1.157 228 Q HN 0.348 nan 8.270 nan 0.000 0.380 229 L N 0.710 121.932 121.223 -0.002 0.000 2.217 229 L HA 0.015 4.355 4.340 -0.001 0.000 0.211 229 L C 0.642 177.518 176.870 0.009 0.000 1.107 229 L CA 0.856 55.712 54.840 0.026 0.000 0.783 229 L CB 0.143 42.242 42.059 0.067 0.000 0.919 229 L HN 0.638 nan 8.230 nan 0.000 0.442 230 A N -0.017 122.770 122.820 -0.056 0.000 2.881 230 A HA 0.374 4.693 4.320 -0.001 0.000 0.265 230 A C -2.674 174.822 177.584 -0.147 0.000 1.297 230 A CA -0.744 51.164 52.037 -0.214 0.000 0.989 230 A CB -0.238 18.532 19.000 -0.383 0.000 1.421 230 A HN -0.128 nan 8.150 nan 0.000 0.688 231 P HA 0.492 nan 4.420 nan 0.000 0.276 231 P C -0.252 177.092 177.300 0.073 0.000 1.244 231 P CA 0.317 63.437 63.100 0.033 0.000 0.801 231 P CB 1.132 32.883 31.700 0.086 0.000 1.006 232 T N 0.744 115.331 114.554 0.055 0.000 2.797 232 T HA 0.559 4.908 4.350 -0.001 0.000 0.279 232 T C -0.379 174.380 174.700 0.098 0.000 0.991 232 T CA -0.254 61.882 62.100 0.059 0.000 0.979 232 T CB 1.026 69.888 68.868 -0.010 0.000 0.943 232 T HN 0.498 nan 8.240 nan 0.000 0.444 233 T N 2.130 116.788 114.554 0.172 0.000 3.097 233 T HA 0.295 4.644 4.350 -0.001 0.000 0.332 233 T C -0.673 174.102 174.700 0.126 0.000 1.269 233 T CA -0.507 61.649 62.100 0.093 0.000 1.076 233 T CB 0.427 69.389 68.868 0.156 0.000 1.209 233 T HN 0.858 nan 8.240 nan 0.000 0.474 234 H N 2.651 121.615 119.070 -0.177 0.000 2.692 234 H HA -0.261 4.295 4.556 -0.001 0.000 0.316 234 H C 1.139 176.492 175.328 0.041 0.000 1.176 234 H CA 1.070 57.044 56.048 -0.124 0.000 1.142 234 H CB -1.611 28.008 29.762 -0.239 0.000 1.475 234 H HN 1.566 nan 8.280 nan 0.000 0.423 235 A N -1.872 120.976 122.820 0.046 0.000 3.021 235 A HA -0.205 4.114 4.320 -0.001 0.000 0.257 235 A C 0.450 178.059 177.584 0.042 0.000 1.277 235 A CA 1.079 53.141 52.037 0.041 0.000 1.012 235 A CB -1.497 17.533 19.000 0.051 0.000 1.147 235 A HN 0.367 nan 8.150 nan 0.000 0.861 236 V N -0.046 119.887 119.914 0.033 0.000 2.735 236 V HA 0.695 4.815 4.120 -0.001 0.000 0.310 236 V C 0.261 176.182 176.094 -0.287 0.000 1.061 236 V CA -0.055 62.156 62.300 -0.149 0.000 0.913 236 V CB 2.156 33.831 31.823 -0.246 0.000 1.005 236 V HN 0.468 nan 8.190 nan 0.000 0.428 237 T N 3.615 117.958 114.554 -0.353 0.000 2.758 237 T HA 0.503 4.852 4.350 -0.001 0.000 0.285 237 T C -0.857 173.504 174.700 -0.566 0.000 0.981 237 T CA -0.046 61.824 62.100 -0.382 0.000 0.965 237 T CB 0.381 69.053 68.868 -0.327 0.000 0.927 237 T HN 0.457 nan 8.240 nan 0.000 0.448 238 Y N 2.737 122.921 120.300 -0.194 0.000 2.802 238 Y HA 0.316 4.866 4.550 -0.001 0.000 0.330 238 Y C 0.070 175.869 175.900 -0.168 0.000 1.193 238 Y CA -1.197 56.850 58.100 -0.088 0.000 1.427 238 Y CB -0.545 37.904 38.460 -0.018 0.000 1.357 238 Y HN 0.597 nan 8.280 nan 0.000 0.501 239 Y N 0.554 120.941 120.300 0.145 0.000 2.717 239 Y HA -0.033 4.516 4.550 -0.002 0.000 0.330 239 Y C 1.355 177.308 175.900 0.088 0.000 1.217 239 Y CA 0.273 58.450 58.100 0.128 0.000 1.506 239 Y CB 0.354 38.907 38.460 0.154 0.000 1.268 239 Y HN 0.374 nan 8.280 nan 0.000 0.561 240 T N 3.945 118.563 114.554 0.107 0.000 2.898 240 T HA 0.170 4.519 4.350 -0.001 0.000 0.301 240 T C 0.248 174.797 174.700 -0.252 0.000 1.049 240 T CA -0.500 61.486 62.100 -0.190 0.000 1.095 240 T CB 0.127 68.904 68.868 -0.152 0.000 0.976 240 T HN 0.504 nan 8.240 nan 0.000 0.539 241 F N 1.501 121.271 119.950 -0.300 0.000 2.735 241 F HA 0.470 4.996 4.527 -0.001 0.000 0.304 241 F C 0.437 175.647 175.800 -0.984 0.000 1.119 241 F CA -1.450 56.004 58.000 -0.911 0.000 1.280 241 F CB -0.619 38.143 39.000 -0.396 0.000 0.994 241 F HN 0.331 nan 8.300 nan 0.000 0.520 242 N N 1.375 119.744 118.700 -0.551 0.000 2.719 242 N HA 0.109 4.848 4.740 -0.001 0.000 0.243 242 N C 0.080 175.482 175.510 -0.180 0.000 1.104 242 N CA -0.529 52.360 53.050 -0.270 0.000 0.981 242 N CB -0.276 38.112 38.487 -0.165 0.000 1.290 242 N HN 0.135 nan 8.380 nan 0.000 0.513 243 F N 0.490 120.514 119.950 0.124 0.000 2.604 243 F HA 0.063 4.589 4.527 -0.002 0.000 0.298 243 F C 2.158 178.001 175.800 0.072 0.000 1.131 243 F CA 0.240 58.297 58.000 0.096 0.000 1.457 243 F CB -0.100 38.956 39.000 0.094 0.000 1.095 243 F HN 0.378 nan 8.300 nan 0.000 0.574 244 S N -0.098 115.719 115.700 0.195 0.000 2.527 244 S HA 0.107 4.576 4.470 -0.001 0.000 0.222 244 S C 0.927 175.567 174.600 0.066 0.000 0.985 244 S CA -0.074 58.200 58.200 0.123 0.000 0.921 244 S CB -0.331 62.924 63.200 0.091 0.000 0.772 244 S HN 0.107 nan 8.310 nan 0.000 0.529 245 L N 2.510 123.761 121.223 0.046 0.000 2.543 245 L HA 0.025 4.364 4.340 -0.001 0.000 0.285 245 L C 0.734 177.628 176.870 0.041 0.000 1.236 245 L CA -0.252 54.602 54.840 0.022 0.000 0.871 245 L CB 0.064 42.126 42.059 0.006 0.000 1.121 245 L HN 0.193 nan 8.230 nan 0.000 0.501 246 E N 2.194 122.407 120.200 0.021 0.000 2.652 246 E HA 0.112 4.461 4.350 -0.001 0.000 0.255 246 E C 1.037 177.657 176.600 0.033 0.000 0.952 246 E CA 1.158 57.570 56.400 0.020 0.000 0.947 246 E CB 0.183 29.884 29.700 0.001 0.000 0.912 246 E HN 0.700 nan 8.360 nan 0.000 0.489 247 G N 2.338 111.163 108.800 0.042 0.000 2.217 247 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.246 247 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.246 247 G C 0.500 175.447 174.900 0.078 0.000 0.990 247 G CA 0.194 45.324 45.100 0.050 0.000 0.627 247 G HN 0.959 nan 8.290 nan 0.000 0.522 248 A N -0.120 122.761 122.820 0.101 0.000 2.275 248 A HA 0.769 5.088 4.320 -0.001 0.000 0.282 248 A C 1.464 179.137 177.584 0.149 0.000 1.275 248 A CA 1.115 53.247 52.037 0.158 0.000 0.842 248 A CB 0.231 19.355 19.000 0.206 0.000 1.280 248 A HN 0.368 nan 8.150 nan 0.000 0.508 249 K N -1.414 119.097 120.400 0.186 0.000 2.152 249 K HA -0.004 4.315 4.320 -0.001 0.000 0.206 249 K C 0.602 177.236 176.600 0.057 0.000 1.048 249 K CA 1.615 57.940 56.287 0.063 0.000 0.933 249 K CB -0.209 32.234 32.500 -0.094 0.000 0.721 249 K HN 0.661 nan 8.250 nan 0.000 0.447 250 M N 0.838 120.515 119.600 0.129 0.000 2.963 250 M HA 0.101 4.580 4.480 -0.001 0.000 0.350 250 M C -0.365 176.012 176.300 0.129 0.000 1.253 250 M CA -0.395 54.978 55.300 0.121 0.000 0.856 250 M CB 1.582 34.262 32.600 0.133 0.000 1.356 250 M HN -0.089 nan 8.290 nan 0.000 0.510 251 S N 1.907 117.670 115.700 0.106 0.000 2.642 251 S HA 0.073 4.542 4.470 -0.001 0.000 0.308 251 S C -0.465 174.180 174.600 0.075 0.000 1.255 251 S CA -0.097 58.154 58.200 0.085 0.000 1.057 251 S CB 0.225 63.461 63.200 0.061 0.000 0.785 251 S HN 0.463 nan 8.310 nan 0.000 0.500 252 L N 8.347 129.608 121.223 0.064 0.000 2.294 252 L HA 0.582 4.921 4.340 -0.001 0.000 0.283 252 L C -2.554 174.328 176.870 0.020 0.000 1.015 252 L CA -2.057 52.815 54.840 0.054 0.000 0.831 252 L CB 1.307 43.406 42.059 0.067 0.000 1.217 252 L HN 0.421 nan 8.230 nan 0.000 0.420 253 P HA 0.231 nan 4.420 nan 0.000 0.262 253 P C 0.611 177.866 177.300 -0.076 0.000 1.182 253 P CA 1.202 64.276 63.100 -0.043 0.000 0.761 253 P CB 0.713 32.374 31.700 -0.065 0.000 0.795 254 G N 1.723 110.484 108.800 -0.065 0.000 2.175 254 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.244 254 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.244 254 G C 0.243 175.123 174.900 -0.034 0.000 0.982 254 G CA -0.041 45.016 45.100 -0.071 0.000 0.641 254 G HN 0.560 nan 8.290 nan 0.000 0.527 255 T N 2.045 116.588 114.554 -0.018 0.000 2.761 255 T HA 0.467 4.817 4.350 -0.001 0.000 0.296 255 T C 0.638 175.324 174.700 -0.022 0.000 0.934 255 T CA 0.658 62.749 62.100 -0.016 0.000 1.091 255 T CB 1.172 70.035 68.868 -0.010 0.000 0.896 255 T HN 0.449 nan 8.240 nan 0.000 0.515 256 D N 0.942 121.325 120.400 -0.029 0.000 2.503 256 D HA 0.343 4.982 4.640 -0.001 0.000 0.218 256 D C 0.762 177.044 176.300 -0.030 0.000 1.183 256 D CA -0.470 53.513 54.000 -0.029 0.000 0.827 256 D CB 0.354 41.137 40.800 -0.028 0.000 1.034 256 D HN 0.669 nan 8.370 nan 0.000 0.510 257 G N -0.944 107.831 108.800 -0.042 0.000 2.554 257 G HA2 0.502 4.461 3.960 -0.001 0.000 0.306 257 G HA3 0.502 4.461 3.960 -0.001 0.000 0.306 257 G C -0.636 174.216 174.900 -0.080 0.000 1.320 257 G CA -0.651 44.422 45.100 -0.045 0.000 0.800 257 G HN 0.066 nan 8.290 nan 0.000 0.481 258 L N -1.716 119.460 121.223 -0.077 0.000 2.658 258 L HA 0.542 4.882 4.340 -0.001 0.000 0.201 258 L C 0.001 176.867 176.870 -0.008 0.000 1.050 258 L CA 0.229 55.052 54.840 -0.029 0.000 0.893 258 L CB 0.874 42.927 42.059 -0.010 0.000 1.503 258 L HN 0.413 nan 8.230 nan 0.000 0.485 259 K N 0.469 120.878 120.400 0.015 0.000 2.561 259 K HA 0.349 4.668 4.320 -0.001 0.000 0.254 259 K C -0.687 175.973 176.600 0.099 0.000 0.942 259 K CA -0.277 56.038 56.287 0.047 0.000 0.818 259 K CB 1.389 33.940 32.500 0.085 0.000 1.306 259 K HN 0.122 nan 8.250 nan 0.000 0.435 260 T N -0.332 114.297 114.554 0.125 0.000 2.847 260 T HA 0.827 5.177 4.350 -0.001 0.000 0.279 260 T C 0.305 175.114 174.700 0.183 0.000 0.984 260 T CA -0.443 61.784 62.100 0.210 0.000 0.988 260 T CB 1.489 70.528 68.868 0.285 0.000 1.040 260 T HN 0.661 nan 8.240 nan 0.000 0.528 261 G N 0.372 109.271 108.800 0.166 0.000 2.734 261 G HA2 0.546 4.505 3.960 -0.001 0.000 0.293 261 G HA3 0.546 4.505 3.960 -0.001 0.000 0.293 261 G C -0.936 173.996 174.900 0.053 0.000 1.422 261 G CA -0.723 44.431 45.100 0.090 0.000 1.177 261 G HN 1.129 nan 8.290 nan 0.000 0.565 262 S N 0.235 115.922 115.700 -0.022 0.000 2.549 262 S HA 0.917 5.386 4.470 -0.001 0.000 0.280 262 S C -0.182 174.180 174.600 -0.397 0.000 1.109 262 S CA -0.103 57.980 58.200 -0.195 0.000 0.905 262 S CB 2.209 65.331 63.200 -0.130 0.000 1.081 262 S HN 2.008 nan 8.310 nan 0.000 0.477 263 S N 0.047 115.320 115.700 -0.712 0.000 2.661 263 S HA 0.468 4.937 4.470 -0.001 0.000 0.268 263 S C -0.133 173.696 174.600 -1.285 0.000 1.162 263 S CA -0.221 57.395 58.200 -0.974 0.000 0.817 263 S CB 0.404 63.309 63.200 -0.492 0.000 1.141 263 S HN 0.722 nan 8.310 nan 0.000 0.477 264 D N 0.822 120.667 120.400 -0.925 0.000 2.218 264 D HA -0.085 4.554 4.640 -0.001 0.000 0.204 264 D C 1.641 177.795 176.300 -0.243 0.000 0.976 264 D CA 2.055 55.815 54.000 -0.399 0.000 0.853 264 D CB -0.844 39.907 40.800 -0.082 0.000 0.939 264 D HN 0.732 nan 8.370 nan 0.000 0.481 265 T N -3.743 110.630 114.554 -0.302 0.000 3.037 265 T HA 0.447 4.796 4.350 -0.001 0.000 0.252 265 T C 1.864 176.336 174.700 -0.381 0.000 1.073 265 T CA 0.307 62.232 62.100 -0.291 0.000 1.091 265 T CB -0.012 68.663 68.868 -0.321 0.000 0.935 265 T HN 0.189 nan 8.240 nan 0.000 0.488 266 A N 1.354 123.966 122.820 -0.347 0.000 2.132 266 A HA 0.284 4.604 4.320 -0.001 0.000 0.213 266 A C 1.164 178.874 177.584 0.211 0.000 1.154 266 A CA 0.253 52.166 52.037 -0.207 0.000 0.753 266 A CB -0.408 18.477 19.000 -0.192 0.000 0.826 266 A HN 0.522 nan 8.150 nan 0.000 0.469 267 N N -1.893 116.813 118.700 0.009 0.000 1.191 267 N HA -0.233 4.506 4.740 -0.001 0.000 0.120 267 N C -0.668 174.736 175.510 -0.176 0.000 0.826 267 N CA 1.891 54.959 53.050 0.030 0.000 0.876 267 N CB -1.085 37.572 38.487 0.283 0.000 1.050 267 N HN 0.388 nan 8.380 nan 0.000 0.603 268 Y N 1.735 122.163 120.300 0.212 0.000 2.345 268 Y HA 0.479 5.028 4.550 -0.001 0.000 0.331 268 Y C 0.087 176.045 175.900 0.096 0.000 0.959 268 Y CA -0.566 57.627 58.100 0.156 0.000 1.204 268 Y CB 0.935 39.478 38.460 0.137 0.000 1.135 268 Y HN 0.275 nan 8.280 nan 0.000 0.477 269 N N 2.786 121.603 118.700 0.196 0.000 2.384 269 N HA 0.517 5.256 4.740 -0.001 0.000 0.301 269 N C -1.221 174.404 175.510 0.191 0.000 1.133 269 N CA -1.031 52.106 53.050 0.145 0.000 0.853 269 N CB 1.623 40.185 38.487 0.126 0.000 1.241 269 N HN 0.731 nan 8.380 nan 0.000 0.502 270 H N -2.239 116.893 119.070 0.102 0.000 3.008 270 H HA 0.563 5.118 4.556 -0.001 0.000 0.354 270 H C -1.705 173.672 175.328 0.082 0.000 1.252 270 H CA -0.880 55.223 56.048 0.091 0.000 1.117 270 H CB 2.137 31.953 29.762 0.090 0.000 1.857 270 H HN 0.400 nan 8.280 nan 0.000 0.547 271 T N 2.353 117.017 114.554 0.183 0.000 2.879 271 T HA 0.510 4.859 4.350 -0.001 0.000 0.290 271 T C -0.650 173.979 174.700 -0.118 0.000 0.993 271 T CA -0.651 61.498 62.100 0.081 0.000 0.975 271 T CB 0.521 69.510 68.868 0.202 0.000 0.981 271 T HN 0.610 nan 8.240 nan 0.000 0.439 272 I N 1.325 121.768 120.570 -0.212 0.000 3.042 272 I HA 0.891 5.060 4.170 -0.001 0.000 0.310 272 I C -0.744 175.295 176.117 -0.130 0.000 1.117 272 I CA -0.863 60.294 61.300 -0.238 0.000 1.003 272 I CB 2.648 40.407 38.000 -0.403 0.000 1.228 272 I HN 0.553 nan 8.210 nan 0.000 0.443 273 T N 1.691 116.185 114.554 -0.100 0.000 2.971 273 T HA 0.640 4.989 4.350 -0.001 0.000 0.304 273 T C -1.084 173.586 174.700 -0.050 0.000 1.038 273 T CA -0.170 61.884 62.100 -0.076 0.000 1.007 273 T CB 1.576 70.405 68.868 -0.066 0.000 1.055 273 T HN 0.859 nan 8.240 nan 0.000 0.451 274 T N 4.423 118.962 114.554 -0.025 0.000 2.916 274 T HA 0.597 4.947 4.350 -0.001 0.000 0.298 274 T C -1.227 173.525 174.700 0.088 0.000 1.031 274 T CA -0.810 61.314 62.100 0.040 0.000 0.993 274 T CB 1.674 70.624 68.868 0.137 0.000 1.045 274 T HN 0.634 nan 8.240 nan 0.000 0.454 275 K N 2.501 122.918 120.400 0.028 0.000 2.471 275 K HA 0.607 4.926 4.320 -0.001 0.000 0.252 275 K C -1.205 175.344 176.600 -0.084 0.000 0.938 275 K CA -0.818 55.476 56.287 0.012 0.000 0.796 275 K CB 1.330 33.824 32.500 -0.010 0.000 1.161 275 K HN 0.499 nan 8.250 nan 0.000 0.425 276 R N 2.864 123.287 120.500 -0.127 0.000 2.483 276 R HA 0.380 4.720 4.340 -0.001 0.000 0.303 276 R C 0.061 176.348 176.300 -0.021 0.000 0.987 276 R CA -0.132 55.844 56.100 -0.208 0.000 0.881 276 R CB 1.761 31.709 30.300 -0.585 0.000 1.177 276 R HN 1.001 nan 8.270 nan 0.000 0.451 277 G N 2.764 111.562 108.800 -0.002 0.000 2.583 277 G HA2 -0.397 3.562 3.960 -0.001 0.000 0.292 277 G HA3 -0.397 3.562 3.960 -0.001 0.000 0.292 277 G C 0.387 175.323 174.900 0.060 0.000 1.203 277 G CA 0.270 45.402 45.100 0.054 0.000 0.987 277 G HN 0.587 nan 8.290 nan 0.000 0.554 278 K N -0.255 120.208 120.400 0.106 0.000 2.374 278 K HA 0.256 4.575 4.320 -0.001 0.000 0.196 278 K C 0.200 176.760 176.600 -0.067 0.000 1.023 278 K CA -0.223 56.086 56.287 0.037 0.000 1.103 278 K CB 0.331 32.877 32.500 0.078 0.000 0.848 278 K HN 0.210 nan 8.250 nan 0.000 0.528 279 F N 2.686 122.552 119.950 -0.140 0.000 2.371 279 F HA 0.282 4.808 4.527 -0.001 0.000 0.363 279 F C -0.205 175.572 175.800 -0.039 0.000 1.122 279 F CA -1.535 56.333 58.000 -0.220 0.000 1.129 279 F CB 0.277 39.367 39.000 0.151 0.000 1.173 279 F HN -0.200 nan 8.300 nan 0.000 0.489 280 R N 7.013 127.559 120.500 0.075 0.000 2.445 280 R HA 0.681 5.020 4.340 -0.001 0.000 0.308 280 R C -1.440 174.748 176.300 -0.186 0.000 0.961 280 R CA -0.508 55.563 56.100 -0.050 0.000 0.862 280 R CB 1.092 31.359 30.300 -0.055 0.000 1.144 280 R HN 0.693 nan 8.270 nan 0.000 0.447 281 I N 3.431 123.825 120.570 -0.293 0.000 2.569 281 I HA 0.336 4.505 4.170 -0.001 0.000 0.296 281 I C -0.571 175.411 176.117 -0.226 0.000 1.028 281 I CA -1.178 59.899 61.300 -0.373 0.000 1.082 281 I CB 2.173 39.739 38.000 -0.723 0.000 1.264 281 I HN 0.559 nan 8.210 nan 0.000 0.429 282 N N 5.322 123.911 118.700 -0.186 0.000 2.405 282 N HA 0.380 5.119 4.740 -0.001 0.000 0.299 282 N C -1.162 174.287 175.510 -0.101 0.000 1.075 282 N CA -0.552 52.422 53.050 -0.128 0.000 0.884 282 N CB 2.390 40.809 38.487 -0.113 0.000 1.194 282 N HN 0.582 nan 8.380 nan 0.000 0.491 283 Q N 0.987 120.751 119.800 -0.059 0.000 2.372 283 Q HA 0.561 4.900 4.340 -0.001 0.000 0.273 283 Q C -1.919 174.124 176.000 0.071 0.000 1.078 283 Q CA -0.684 55.118 55.803 -0.001 0.000 0.806 283 Q CB 1.762 30.498 28.738 -0.003 0.000 1.332 283 Q HN 0.310 nan 8.270 nan 0.000 0.435 284 V N 4.718 124.705 119.914 0.122 0.000 2.588 284 V HA 0.558 4.677 4.120 -0.001 0.000 0.304 284 V C -0.470 175.730 176.094 0.176 0.000 1.042 284 V CA -0.631 61.777 62.300 0.181 0.000 0.877 284 V CB 1.827 33.754 31.823 0.172 0.000 0.996 284 V HN 0.748 nan 8.190 nan 0.000 0.425 285 I N 5.002 125.691 120.570 0.198 0.000 2.433 285 I HA 0.529 4.698 4.170 -0.001 0.000 0.292 285 I C -0.479 175.655 176.117 0.029 0.000 1.001 285 I CA -0.428 60.909 61.300 0.061 0.000 1.119 285 I CB 1.904 39.854 38.000 -0.083 0.000 1.289 285 I HN 0.367 nan 8.210 nan 0.000 0.438 286 M N 4.315 123.894 119.600 -0.036 0.000 2.253 286 M HA 0.375 4.855 4.480 -0.001 0.000 0.314 286 M C 0.567 176.683 176.300 -0.306 0.000 1.019 286 M CA -0.396 54.832 55.300 -0.120 0.000 0.932 286 M CB 1.615 34.103 32.600 -0.186 0.000 1.606 286 M HN 0.896 nan 8.290 nan 0.000 0.430 287 G N 2.298 111.017 108.800 -0.135 0.000 2.182 287 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.248 287 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.248 287 G C 0.130 175.026 174.900 -0.006 0.000 1.042 287 G CA 0.188 45.221 45.100 -0.112 0.000 0.775 287 G HN 1.086 nan 8.290 nan 0.000 0.501 288 A N -0.367 122.508 122.820 0.093 0.000 2.425 288 A HA 0.859 5.178 4.320 -0.001 0.000 0.249 288 A C 1.775 179.533 177.584 0.290 0.000 1.084 288 A CA 1.633 53.754 52.037 0.140 0.000 0.781 288 A CB 0.364 19.421 19.000 0.096 0.000 1.019 288 A HN 2.562 nan 8.150 nan 0.000 0.490 289 G N 0.522 109.481 108.800 0.267 0.000 2.601 289 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.252 289 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.252 289 G C -0.387 174.656 174.900 0.238 0.000 1.294 289 G CA 0.404 45.684 45.100 0.299 0.000 0.912 289 G HN 1.507 nan 8.290 nan 0.000 0.574 290 D N -1.738 118.823 120.400 0.269 0.000 2.365 290 D HA 0.313 4.953 4.640 -0.001 0.000 0.235 290 D C 0.341 176.800 176.300 0.264 0.000 1.368 290 D CA -0.420 53.702 54.000 0.204 0.000 1.001 290 D CB 0.565 41.413 40.800 0.082 0.000 1.364 290 D HN 0.470 nan 8.370 nan 0.000 0.577 291 Y N 4.358 124.728 120.300 0.118 0.000 2.242 291 Y HA -0.011 4.538 4.550 -0.001 0.000 0.291 291 Y C 1.962 177.911 175.900 0.081 0.000 1.137 291 Y CA 1.589 59.740 58.100 0.084 0.000 1.181 291 Y CB 0.405 38.763 38.460 -0.171 0.000 0.989 291 Y HN 0.279 nan 8.280 nan 0.000 0.527 292 K N -0.229 120.310 120.400 0.231 0.000 2.002 292 K HA -0.145 4.175 4.320 -0.001 0.000 0.209 292 K C 1.222 177.855 176.600 0.055 0.000 1.048 292 K CA 1.685 58.049 56.287 0.129 0.000 0.930 292 K CB -0.089 32.480 32.500 0.115 0.000 0.714 292 K HN 0.350 nan 8.250 nan 0.000 0.438 293 N N -0.676 118.057 118.700 0.056 0.000 2.273 293 N HA 0.012 4.751 4.740 -0.001 0.000 0.192 293 N C 1.127 176.647 175.510 0.016 0.000 1.132 293 N CA 0.367 53.433 53.050 0.027 0.000 0.887 293 N CB 0.826 39.325 38.487 0.022 0.000 1.048 293 N HN 0.055 nan 8.380 nan 0.000 0.490 294 L N -1.075 120.167 121.223 0.032 0.000 2.688 294 L HA 0.508 4.848 4.340 -0.001 0.000 0.216 294 L C 0.725 177.638 176.870 0.072 0.000 1.036 294 L CA 1.200 56.051 54.840 0.019 0.000 0.906 294 L CB 0.092 42.113 42.059 -0.063 0.000 1.501 294 L HN 0.202 nan 8.230 nan 0.000 0.489 295 G N -0.943 107.937 108.800 0.132 0.000 2.342 295 G HA2 0.378 4.337 3.960 -0.001 0.000 0.220 295 G HA3 0.378 4.337 3.960 -0.001 0.000 0.220 295 G C 0.458 175.484 174.900 0.209 0.000 1.243 295 G CA -0.254 44.927 45.100 0.135 0.000 1.083 295 G HN 1.236 nan 8.290 nan 0.000 0.500 296 G N -1.218 107.550 108.800 -0.054 0.000 2.370 296 G HA2 0.002 3.961 3.960 -0.001 0.000 0.174 296 G HA3 0.002 3.961 3.960 -0.001 0.000 0.174 296 G C 0.757 175.301 174.900 -0.593 0.000 1.002 296 G CA 1.179 46.245 45.100 -0.055 0.000 0.730 296 G HN 1.049 nan 8.290 nan 0.000 0.497 297 E N 0.634 120.191 120.200 -1.072 0.000 2.012 297 E HA -0.182 4.167 4.350 -0.001 0.000 0.197 297 E C 2.194 178.632 176.600 -0.270 0.000 1.007 297 E CA 1.665 57.565 56.400 -0.833 0.000 0.816 297 E CB -0.093 29.322 29.700 -0.476 0.000 0.762 297 E HN 0.473 nan 8.360 nan 0.000 0.451 298 K N -0.206 120.062 120.400 -0.220 0.000 2.155 298 K HA -0.185 4.134 4.320 -0.001 0.000 0.203 298 K C 2.152 178.611 176.600 -0.234 0.000 1.052 298 K CA 1.301 57.495 56.287 -0.156 0.000 0.948 298 K CB 0.103 32.489 32.500 -0.190 0.000 0.728 298 K HN 0.029 nan 8.250 nan 0.000 0.448 299 Q N 0.561 120.164 119.800 -0.327 0.000 2.170 299 Q HA -0.096 4.243 4.340 -0.001 0.000 0.203 299 Q C 1.964 177.800 176.000 -0.274 0.000 0.976 299 Q CA 1.323 56.883 55.803 -0.406 0.000 0.858 299 Q CB -0.179 28.151 28.738 -0.681 0.000 0.907 299 Q HN 0.270 nan 8.270 nan 0.000 0.433 300 R N 0.530 120.915 120.500 -0.192 0.000 2.096 300 R HA -0.197 4.142 4.340 -0.001 0.000 0.240 300 R C 1.206 177.370 176.300 -0.227 0.000 1.139 300 R CA 1.957 57.946 56.100 -0.185 0.000 0.952 300 R CB -0.145 30.070 30.300 -0.142 0.000 0.854 300 R HN 0.298 nan 8.270 nan 0.000 0.436 301 N N -0.162 118.456 118.700 -0.136 0.000 2.331 301 N HA -0.070 4.669 4.740 -0.001 0.000 0.180 301 N C 1.733 177.149 175.510 -0.156 0.000 1.019 301 N CA 1.482 54.514 53.050 -0.029 0.000 0.881 301 N CB -0.046 38.505 38.487 0.107 0.000 0.972 301 N HN 0.259 nan 8.380 nan 0.000 0.435 302 M N -0.292 119.085 119.600 -0.371 0.000 2.067 302 M HA -0.138 4.341 4.480 -0.001 0.000 0.260 302 M C 1.993 177.992 176.300 -0.502 0.000 1.069 302 M CA 1.581 56.391 55.300 -0.818 0.000 1.117 302 M CB -0.373 31.555 32.600 -1.121 0.000 1.334 302 M HN 0.151 nan 8.290 nan 0.000 0.407 303 M N 0.076 119.483 119.600 -0.322 0.000 2.080 303 M HA -0.129 4.350 4.480 -0.001 0.000 0.260 303 M C 2.384 178.593 176.300 -0.151 0.000 1.068 303 M CA 1.874 57.054 55.300 -0.201 0.000 1.109 303 M CB -0.960 31.536 32.600 -0.174 0.000 1.342 303 M HN 0.505 nan 8.290 nan 0.000 0.405 304 G N 0.319 109.052 108.800 -0.111 0.000 2.446 304 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.217 304 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.217 304 G C 1.261 176.169 174.900 0.014 0.000 1.168 304 G CA 1.239 46.347 45.100 0.013 0.000 0.771 304 G HN 0.367 nan 8.290 nan 0.000 0.551 305 N N 1.221 119.937 118.700 0.028 0.000 2.120 305 N HA -0.034 4.705 4.740 -0.001 0.000 0.188 305 N C 2.441 177.986 175.510 0.058 0.000 1.024 305 N CA 1.328 54.423 53.050 0.074 0.000 0.852 305 N CB -0.590 37.986 38.487 0.149 0.000 1.003 305 N HN 0.327 nan 8.380 nan 0.000 0.424 306 A N 1.102 123.961 122.820 0.064 0.000 1.877 306 A HA -0.044 4.275 4.320 -0.001 0.000 0.216 306 A C 2.333 179.792 177.584 -0.208 0.000 1.186 306 A CA 0.932 53.002 52.037 0.054 0.000 0.620 306 A CB -0.836 18.269 19.000 0.176 0.000 0.822 306 A HN 0.221 nan 8.150 nan 0.000 0.443 307 L N -1.752 119.326 121.223 -0.242 0.000 2.079 307 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 307 L C 2.771 179.446 176.870 -0.325 0.000 1.081 307 L CA 1.809 56.415 54.840 -0.390 0.000 0.752 307 L CB -0.399 41.391 42.059 -0.448 0.000 0.896 307 L HN 0.487 nan 8.230 nan 0.000 0.433 308 M N -0.355 119.125 119.600 -0.200 0.000 2.077 308 M HA -0.152 4.327 4.480 -0.001 0.000 0.261 308 M C 2.173 178.404 176.300 -0.114 0.000 1.070 308 M CA 1.695 56.893 55.300 -0.170 0.000 1.125 308 M CB -0.309 32.269 32.600 -0.038 0.000 1.339 308 M HN 0.013 nan 8.290 nan 0.000 0.409 309 E N -0.070 120.099 120.200 -0.052 0.000 2.118 309 E HA -0.260 4.090 4.350 -0.001 0.000 0.195 309 E C 2.202 178.676 176.600 -0.210 0.000 0.992 309 E CA 1.373 57.775 56.400 0.003 0.000 0.804 309 E CB -0.571 29.153 29.700 0.040 0.000 0.741 309 E HN 0.581 nan 8.360 nan 0.000 0.458 310 R N 0.536 120.671 120.500 -0.608 0.000 2.092 310 R HA -0.064 4.275 4.340 -0.001 0.000 0.231 310 R C 2.407 178.570 176.300 -0.228 0.000 1.119 310 R CA 1.526 57.165 56.100 -0.767 0.000 0.970 310 R CB -0.047 29.692 30.300 -0.937 0.000 0.864 310 R HN -0.038 nan 8.270 nan 0.000 0.440 311 S N 0.273 115.849 115.700 -0.207 0.000 2.356 311 S HA -0.111 4.359 4.470 -0.001 0.000 0.223 311 S C 1.452 176.037 174.600 -0.025 0.000 1.032 311 S CA 1.345 59.486 58.200 -0.099 0.000 1.005 311 S CB -0.300 62.705 63.200 -0.325 0.000 0.867 311 S HN 0.291 nan 8.310 nan 0.000 0.449 312 F N 1.719 121.659 119.950 -0.016 0.000 2.333 312 F HA -0.055 4.472 4.527 -0.001 0.000 0.300 312 F C 2.159 178.035 175.800 0.127 0.000 1.083 312 F CA 0.708 58.737 58.000 0.047 0.000 1.395 312 F CB -0.463 38.517 39.000 -0.034 0.000 1.056 312 F HN 0.178 nan 8.300 nan 0.000 0.529 313 D N -0.334 120.207 120.400 0.235 0.000 2.149 313 D HA -0.104 4.535 4.640 -0.001 0.000 0.206 313 D C 1.923 178.302 176.300 0.131 0.000 0.967 313 D CA 1.182 55.300 54.000 0.197 0.000 0.848 313 D CB -0.061 40.880 40.800 0.236 0.000 0.998 313 D HN 0.275 nan 8.370 nan 0.000 0.474 314 Q N -1.534 118.311 119.800 0.075 0.000 2.389 314 Q HA 0.022 4.361 4.340 -0.001 0.000 0.204 314 Q C -0.171 175.606 176.000 -0.372 0.000 0.944 314 Q CA 0.528 56.247 55.803 -0.139 0.000 0.908 314 Q CB 0.518 29.130 28.738 -0.211 0.000 1.002 314 Q HN 0.359 nan 8.270 nan 0.000 0.493 315 Y N 0.336 120.713 120.300 0.128 0.000 2.602 315 Y HA 0.374 4.923 4.550 -0.001 0.000 0.342 315 Y C -0.365 175.693 175.900 0.263 0.000 1.029 315 Y CA -1.218 56.973 58.100 0.152 0.000 1.080 315 Y CB 1.541 40.134 38.460 0.222 0.000 1.284 315 Y HN -0.226 nan 8.280 nan 0.000 0.485 316 K N 0.340 120.894 120.400 0.257 0.000 2.477 316 K HA 0.553 4.873 4.320 -0.001 0.000 0.255 316 K C -2.295 174.217 176.600 -0.147 0.000 0.952 316 K CA -1.039 55.334 56.287 0.143 0.000 0.826 316 K CB 2.499 35.065 32.500 0.111 0.000 1.331 316 K HN 0.642 nan 8.250 nan 0.000 0.437 317 Y N 2.061 122.124 120.300 -0.396 0.000 2.328 317 Y HA 0.462 5.012 4.550 -0.001 0.000 0.333 317 Y C -1.096 174.775 175.900 -0.048 0.000 0.958 317 Y CA -0.476 57.365 58.100 -0.431 0.000 1.167 317 Y CB 1.358 39.376 38.460 -0.737 0.000 1.151 317 Y HN 0.569 nan 8.280 nan 0.000 0.470 318 V N 2.501 122.264 119.914 -0.251 0.000 3.114 318 V HA 0.541 4.660 4.120 -0.001 0.000 0.308 318 V C -0.946 174.991 176.094 -0.262 0.000 1.168 318 V CA -1.711 60.529 62.300 -0.099 0.000 1.015 318 V CB 1.858 33.643 31.823 -0.064 0.000 1.050 318 V HN 0.664 nan 8.190 nan 0.000 0.433 319 K N 1.712 121.879 120.400 -0.388 0.000 2.412 319 K HA 0.387 4.706 4.320 -0.001 0.000 0.284 319 K C 0.786 177.180 176.600 -0.345 0.000 1.046 319 K CA 0.220 56.063 56.287 -0.740 0.000 0.999 319 K CB 0.598 32.660 32.500 -0.731 0.000 0.941 319 K HN 0.844 nan 8.250 nan 0.000 0.474 320 I N 1.948 122.341 120.570 -0.295 0.000 3.968 320 I HA 0.240 4.409 4.170 -0.001 0.000 0.328 320 I C -0.562 175.522 176.117 -0.055 0.000 1.290 320 I CA -0.344 60.887 61.300 -0.114 0.000 1.163 320 I CB 0.394 38.313 38.000 -0.134 0.000 1.024 320 I HN 0.314 nan 8.210 nan 0.000 0.413 321 L N 0.671 121.819 121.223 -0.124 0.000 2.641 321 L HA 0.514 4.853 4.340 -0.001 0.000 0.261 321 L C -0.886 175.927 176.870 -0.095 0.000 0.926 321 L CA -0.031 54.767 54.840 -0.070 0.000 0.917 321 L CB 2.243 44.279 42.059 -0.039 0.000 1.361 321 L HN -0.014 nan 8.230 nan 0.000 0.417 322 S N 3.113 118.779 115.700 -0.056 0.000 2.610 322 S HA 0.490 4.959 4.470 -0.001 0.000 0.273 322 S C -0.169 174.433 174.600 0.003 0.000 1.274 322 S CA -0.732 57.445 58.200 -0.038 0.000 1.023 322 S CB 1.034 64.222 63.200 -0.020 0.000 0.962 322 S HN 0.530 nan 8.310 nan 0.000 0.523 323 K N 0.934 121.346 120.400 0.020 0.000 2.457 323 K HA 0.276 4.596 4.320 -0.001 0.000 0.269 323 K C 1.028 177.668 176.600 0.068 0.000 0.969 323 K CA 1.081 57.397 56.287 0.049 0.000 0.921 323 K CB -0.193 32.337 32.500 0.050 0.000 0.940 323 K HN 0.929 nan 8.250 nan 0.000 0.517 324 G N 1.060 109.919 108.800 0.099 0.000 2.568 324 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.222 324 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.222 324 G C -0.795 174.225 174.900 0.200 0.000 1.321 324 G CA -0.171 45.009 45.100 0.135 0.000 0.893 324 G HN 0.698 nan 8.290 nan 0.000 0.569 325 E N 0.745 121.079 120.200 0.223 0.000 2.257 325 E HA 0.453 4.802 4.350 -0.001 0.000 0.278 325 E C -0.159 176.508 176.600 0.112 0.000 1.049 325 E CA -0.091 56.456 56.400 0.244 0.000 0.876 325 E CB 0.259 30.124 29.700 0.274 0.000 1.035 325 E HN 0.395 nan 8.360 nan 0.000 0.419 326 Q N 3.288 123.133 119.800 0.075 0.000 2.389 326 Q HA 0.354 4.693 4.340 -0.001 0.000 0.277 326 Q C -1.026 175.006 176.000 0.054 0.000 1.082 326 Q CA -0.989 54.847 55.803 0.055 0.000 0.810 326 Q CB 1.870 30.640 28.738 0.053 0.000 1.374 326 Q HN 0.400 nan 8.270 nan 0.000 0.422 327 R N 1.391 121.914 120.500 0.038 0.000 2.196 327 R HA 0.477 4.816 4.340 -0.001 0.000 0.340 327 R C -0.682 175.659 176.300 0.067 0.000 1.043 327 R CA 0.136 56.260 56.100 0.040 0.000 0.883 327 R CB 0.005 30.310 30.300 0.008 0.000 1.078 327 R HN 0.485 nan 8.270 nan 0.000 0.462 328 I N 4.236 124.895 120.570 0.149 0.000 2.382 328 I HA 0.253 4.422 4.170 -0.001 0.000 0.286 328 I C -0.238 175.941 176.117 0.104 0.000 1.002 328 I CA -0.813 60.543 61.300 0.094 0.000 1.135 328 I CB 1.606 39.611 38.000 0.008 0.000 1.288 328 I HN 0.672 nan 8.210 nan 0.000 0.448 329 N N 5.177 123.897 118.700 0.034 0.000 2.738 329 N HA -0.192 4.547 4.740 -0.001 0.000 0.249 329 N C 1.031 176.555 175.510 0.023 0.000 1.047 329 N CA 1.166 54.228 53.050 0.020 0.000 0.707 329 N CB -0.991 37.512 38.487 0.027 0.000 0.937 329 N HN 1.199 nan 8.380 nan 0.000 0.545 330 G N -1.188 107.618 108.800 0.010 0.000 2.353 330 G HA2 -0.407 3.552 3.960 -0.001 0.000 0.258 330 G HA3 -0.407 3.552 3.960 -0.001 0.000 0.258 330 G C 0.215 175.101 174.900 -0.023 0.000 1.013 330 G CA 1.258 46.354 45.100 -0.008 0.000 0.622 330 G HN 0.557 nan 8.290 nan 0.000 0.535 331 K N 0.467 120.865 120.400 -0.003 0.000 2.144 331 K HA 0.482 4.801 4.320 -0.001 0.000 0.270 331 K C 0.157 176.631 176.600 -0.211 0.000 1.005 331 K CA -0.709 55.504 56.287 -0.124 0.000 0.932 331 K CB 1.069 33.475 32.500 -0.157 0.000 1.021 331 K HN 0.062 nan 8.250 nan 0.000 0.462 332 K N 2.749 122.919 120.400 -0.383 0.000 2.312 332 K HA 0.148 4.467 4.320 -0.001 0.000 0.287 332 K C -1.583 174.594 176.600 -0.704 0.000 1.062 332 K CA 0.362 56.410 56.287 -0.398 0.000 0.934 332 K CB 0.150 32.440 32.500 -0.351 0.000 1.027 332 K HN 0.369 nan 8.250 nan 0.000 0.478 333 Y N 2.844 122.936 120.300 -0.348 0.000 2.545 333 Y HA 0.355 4.904 4.550 -0.001 0.000 0.348 333 Y C -0.915 174.728 175.900 -0.427 0.000 1.002 333 Y CA -0.808 57.055 58.100 -0.395 0.000 1.039 333 Y CB 1.703 40.064 38.460 -0.164 0.000 1.271 333 Y HN 0.403 nan 8.280 nan 0.000 0.467 334 Y N 1.373 121.814 120.300 0.234 0.000 2.369 334 Y HA 0.532 5.081 4.550 -0.001 0.000 0.337 334 Y C -0.532 175.456 175.900 0.145 0.000 0.961 334 Y CA -1.143 57.050 58.100 0.155 0.000 1.186 334 Y CB 1.064 39.607 38.460 0.138 0.000 1.139 334 Y HN 0.155 nan 8.280 nan 0.000 0.494 335 V N 4.306 124.359 119.914 0.232 0.000 2.383 335 V HA 0.115 4.234 4.120 -0.001 0.000 0.275 335 V C 0.561 176.724 176.094 0.116 0.000 1.036 335 V CA -0.451 61.929 62.300 0.134 0.000 0.889 335 V CB 1.357 33.227 31.823 0.079 0.000 0.985 335 V HN 0.885 nan 8.190 nan 0.000 0.459 336 E N 2.959 123.219 120.200 0.100 0.000 2.216 336 E HA 0.035 4.384 4.350 -0.001 0.000 0.192 336 E C 0.253 176.894 176.600 0.068 0.000 0.988 336 E CA 0.677 57.126 56.400 0.082 0.000 0.834 336 E CB 0.235 29.979 29.700 0.074 0.000 0.772 336 E HN 0.705 nan 8.360 nan 0.000 0.479 337 N N 0.250 118.990 118.700 0.066 0.000 2.610 337 N HA 0.121 4.860 4.740 -0.001 0.000 0.264 337 N C -1.507 174.040 175.510 0.062 0.000 1.348 337 N CA -0.638 52.454 53.050 0.070 0.000 0.819 337 N CB 1.590 40.125 38.487 0.080 0.000 1.521 337 N HN -0.159 nan 8.380 nan 0.000 0.497 338 D N 1.204 121.651 120.400 0.078 0.000 2.389 338 D HA 0.179 4.819 4.640 -0.001 0.000 0.247 338 D C -0.341 175.971 176.300 0.019 0.000 1.128 338 D CA 0.029 54.040 54.000 0.019 0.000 0.884 338 D CB 0.816 41.654 40.800 0.063 0.000 1.194 338 D HN 0.215 nan 8.370 nan 0.000 0.441 339 L N 4.469 125.631 121.223 -0.103 0.000 2.265 339 L HA 0.312 4.651 4.340 -0.001 0.000 0.289 339 L C -1.498 175.246 176.870 -0.209 0.000 1.033 339 L CA -0.421 54.383 54.840 -0.061 0.000 0.814 339 L CB 0.204 42.235 42.059 -0.046 0.000 1.203 339 L HN 0.208 nan 8.230 nan 0.000 0.423 340 Y N 3.309 123.526 120.300 -0.138 0.000 2.457 340 Y HA 0.695 5.244 4.550 -0.001 0.000 0.333 340 Y C 0.094 175.771 175.900 -0.372 0.000 1.119 340 Y CA -0.536 57.344 58.100 -0.366 0.000 1.143 340 Y CB 1.678 39.788 38.460 -0.582 0.000 1.230 340 Y HN 0.568 nan 8.280 nan 0.000 0.469 341 D N -0.405 119.772 120.400 -0.371 0.000 2.599 341 D HA 0.395 5.034 4.640 -0.001 0.000 0.252 341 D C -1.633 174.565 176.300 -0.170 0.000 1.232 341 D CA -0.450 53.458 54.000 -0.154 0.000 0.819 341 D CB 2.635 43.405 40.800 -0.050 0.000 1.401 341 D HN 0.220 nan 8.370 nan 0.000 0.429 342 V N 2.351 122.306 119.914 0.068 0.000 2.461 342 V HA 0.438 4.557 4.120 -0.001 0.000 0.275 342 V C 0.106 176.247 176.094 0.078 0.000 1.047 342 V CA -0.228 62.089 62.300 0.028 0.000 0.955 342 V CB 0.810 32.655 31.823 0.037 0.000 0.988 342 V HN 0.316 nan 8.190 nan 0.000 0.471 343 L N 6.300 127.513 121.223 -0.017 0.000 2.370 343 L HA 0.549 4.888 4.340 -0.001 0.000 0.266 343 L C -2.608 174.122 176.870 -0.234 0.000 1.002 343 L CA -2.225 52.482 54.840 -0.222 0.000 0.818 343 L CB 2.555 44.463 42.059 -0.252 0.000 1.325 343 L HN 0.371 nan 8.230 nan 0.000 0.418 344 P HA -0.044 nan 4.420 nan 0.000 0.265 344 P C 0.477 177.533 177.300 -0.406 0.000 1.187 344 P CA 0.066 62.724 63.100 -0.737 0.000 0.766 344 P CB 0.694 31.772 31.700 -1.037 0.000 0.820 345 S N 1.275 116.828 115.700 -0.245 0.000 2.481 345 S HA -0.148 4.321 4.470 -0.001 0.000 0.231 345 S C 1.182 175.790 174.600 0.014 0.000 0.996 345 S CA 1.256 59.422 58.200 -0.056 0.000 0.942 345 S CB -0.821 62.382 63.200 0.006 0.000 0.768 345 S HN 0.529 nan 8.310 nan 0.000 0.520 346 D N -0.212 120.207 120.400 0.031 0.000 2.340 346 D HA 0.090 4.729 4.640 -0.001 0.000 0.220 346 D C 0.072 176.512 176.300 0.234 0.000 1.039 346 D CA -0.467 53.602 54.000 0.114 0.000 0.866 346 D CB -0.707 40.151 40.800 0.096 0.000 0.913 346 D HN 0.283 nan 8.370 nan 0.000 0.523 347 F N 1.920 121.843 119.950 -0.044 0.000 2.595 347 F HA 0.249 4.775 4.527 -0.001 0.000 0.359 347 F C 1.576 177.381 175.800 0.010 0.000 1.147 347 F CA -1.030 56.952 58.000 -0.030 0.000 1.341 347 F CB 0.831 39.793 39.000 -0.064 0.000 1.104 347 F HN -0.003 nan 8.300 nan 0.000 0.603 348 S N 2.347 118.093 115.700 0.076 0.000 2.823 348 S HA 0.444 4.913 4.470 -0.001 0.000 0.316 348 S C 0.792 175.370 174.600 -0.037 0.000 1.116 348 S CA -0.759 57.464 58.200 0.038 0.000 0.911 348 S CB 1.574 64.754 63.200 -0.033 0.000 1.276 348 S HN 0.544 nan 8.310 nan 0.000 0.565 349 K N 0.506 120.839 120.400 -0.110 0.000 2.211 349 K HA -0.025 4.294 4.320 -0.001 0.000 0.204 349 K C 1.839 178.132 176.600 -0.511 0.000 1.047 349 K CA 1.121 57.191 56.287 -0.361 0.000 0.935 349 K CB -0.240 32.134 32.500 -0.210 0.000 0.728 349 K HN 0.469 nan 8.250 nan 0.000 0.452 350 K N 0.804 121.009 120.400 -0.325 0.000 2.280 350 K HA -0.116 4.203 4.320 -0.001 0.000 0.202 350 K C 0.893 177.275 176.600 -0.365 0.000 1.047 350 K CA 1.047 57.156 56.287 -0.296 0.000 0.942 350 K CB 0.129 32.506 32.500 -0.205 0.000 0.739 350 K HN 0.229 nan 8.250 nan 0.000 0.457 351 D N -0.536 119.570 120.400 -0.489 0.000 2.339 351 D HA -0.002 4.637 4.640 -0.001 0.000 0.217 351 D C -0.035 176.049 176.300 -0.360 0.000 1.050 351 D CA 0.408 54.020 54.000 -0.647 0.000 0.856 351 D CB 0.357 40.263 40.800 -1.490 0.000 0.922 351 D HN 0.228 nan 8.370 nan 0.000 0.518 352 Y N -0.735 119.466 120.300 -0.164 0.000 2.609 352 Y HA 0.655 5.204 4.550 -0.001 0.000 0.342 352 Y C -0.655 175.264 175.900 0.032 0.000 1.058 352 Y CA -1.657 56.477 58.100 0.056 0.000 1.055 352 Y CB 1.167 39.759 38.460 0.220 0.000 1.292 352 Y HN -0.438 nan 8.280 nan 0.000 0.476 353 K N 1.732 122.245 120.400 0.189 0.000 2.221 353 K HA 0.581 4.900 4.320 -0.001 0.000 0.258 353 K C -1.619 175.058 176.600 0.129 0.000 0.944 353 K CA -0.505 55.822 56.287 0.067 0.000 0.823 353 K CB 1.240 33.770 32.500 0.049 0.000 1.113 353 K HN 0.847 nan 8.250 nan 0.000 0.431 354 L N 3.838 125.091 121.223 0.050 0.000 2.350 354 L HA 0.526 4.865 4.340 -0.001 0.000 0.275 354 L C -0.614 176.182 176.870 -0.124 0.000 1.099 354 L CA -1.047 53.785 54.840 -0.013 0.000 0.808 354 L CB 1.392 43.447 42.059 -0.008 0.000 1.149 354 L HN 0.341 nan 8.230 nan 0.000 0.442 355 V N 3.213 122.955 119.914 -0.286 0.000 2.760 355 V HA 0.444 4.564 4.120 -0.001 0.000 0.309 355 V C -0.384 175.512 176.094 -0.329 0.000 1.077 355 V CA -0.660 61.452 62.300 -0.312 0.000 0.910 355 V CB 2.549 34.140 31.823 -0.386 0.000 1.008 355 V HN 0.401 nan 8.190 nan 0.000 0.424 356 V N 3.798 123.600 119.914 -0.187 0.000 2.448 356 V HA 0.620 4.739 4.120 -0.001 0.000 0.295 356 V C -0.434 175.633 176.094 -0.046 0.000 1.025 356 V CA -0.441 61.766 62.300 -0.155 0.000 0.859 356 V CB 1.702 33.394 31.823 -0.218 0.000 0.988 356 V HN 1.004 nan 8.190 nan 0.000 0.431 357 E N 2.458 122.660 120.200 0.003 0.000 2.331 357 E HA 0.404 4.753 4.350 -0.001 0.000 0.275 357 E C -1.016 175.603 176.600 0.032 0.000 0.895 357 E CA -0.933 55.488 56.400 0.035 0.000 0.753 357 E CB 1.921 31.663 29.700 0.072 0.000 1.216 357 E HN 0.925 nan 8.360 nan 0.000 0.434 358 D N 1.284 121.702 120.400 0.029 0.000 2.706 358 D HA -0.229 4.410 4.640 -0.001 0.000 0.230 358 D C 0.700 177.022 176.300 0.035 0.000 1.184 358 D CA 1.276 55.294 54.000 0.030 0.000 0.628 358 D CB -1.815 39.000 40.800 0.024 0.000 1.019 358 D HN 0.957 nan 8.370 nan 0.000 0.415 359 G N -1.258 107.563 108.800 0.036 0.000 2.160 359 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.251 359 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.251 359 G C 0.098 175.018 174.900 0.033 0.000 1.008 359 G CA 0.558 45.687 45.100 0.049 0.000 0.724 359 G HN 0.772 nan 8.290 nan 0.000 0.514 360 K N -1.046 119.360 120.400 0.011 0.000 2.469 360 K HA 0.708 5.027 4.320 -0.001 0.000 0.254 360 K C -0.949 175.644 176.600 -0.012 0.000 0.939 360 K CA -0.877 55.417 56.287 0.012 0.000 0.812 360 K CB 3.289 35.813 32.500 0.041 0.000 1.301 360 K HN 0.300 nan 8.250 nan 0.000 0.433 361 V N 4.132 124.031 119.914 -0.025 0.000 2.555 361 V HA 0.567 4.686 4.120 -0.001 0.000 0.302 361 V C -1.156 174.956 176.094 0.029 0.000 1.038 361 V CA -0.132 62.121 62.300 -0.079 0.000 0.887 361 V CB 1.454 33.177 31.823 -0.167 0.000 0.991 361 V HN 0.920 nan 8.190 nan 0.000 0.434 362 H N 4.231 123.288 119.070 -0.020 0.000 2.985 362 H HA 0.813 5.368 4.556 -0.001 0.000 0.360 362 H C -0.698 174.663 175.328 0.055 0.000 1.221 362 H CA -0.582 55.472 56.048 0.009 0.000 1.121 362 H CB 1.885 31.645 29.762 -0.002 0.000 1.854 362 H HN 0.820 nan 8.280 nan 0.000 0.551 363 A N 1.064 123.994 122.820 0.182 0.000 2.316 363 A HA 0.298 4.617 4.320 -0.001 0.000 0.284 363 A C -0.358 177.439 177.584 0.355 0.000 1.115 363 A CA -0.310 51.860 52.037 0.221 0.000 0.812 363 A CB 0.466 19.529 19.000 0.104 0.000 1.064 363 A HN 0.745 nan 8.150 nan 0.000 0.489 364 D N 0.779 121.392 120.400 0.354 0.000 2.593 364 D HA 0.551 5.190 4.640 -0.001 0.000 0.251 364 D C -1.479 175.076 176.300 0.425 0.000 1.140 364 D CA -0.059 54.135 54.000 0.323 0.000 0.855 364 D CB 1.227 42.166 40.800 0.232 0.000 1.267 364 D HN 0.555 nan 8.370 nan 0.000 0.532 365 Y N -0.210 120.254 120.300 0.273 0.000 2.713 365 Y HA 0.598 5.147 4.550 -0.001 0.000 0.335 365 Y C -3.018 173.025 175.900 0.238 0.000 1.222 365 Y CA -2.008 56.264 58.100 0.287 0.000 1.061 365 Y CB 0.060 38.794 38.460 0.458 0.000 1.314 365 Y HN 0.045 nan 8.280 nan 0.000 0.453 366 P HA 0.381 nan 4.420 nan 0.000 0.271 366 P C -1.161 176.172 177.300 0.055 0.000 1.233 366 P CA 0.131 63.331 63.100 0.168 0.000 0.764 366 P CB 0.321 32.158 31.700 0.228 0.000 0.825 367 R N 0.813 121.271 120.500 -0.071 0.000 2.752 367 R HA 0.588 4.927 4.340 -0.001 0.000 0.277 367 R C -1.516 174.702 176.300 -0.137 0.000 1.024 367 R CA -1.080 54.927 56.100 -0.155 0.000 0.866 367 R CB 1.362 31.404 30.300 -0.430 0.000 1.278 367 R HN 0.260 nan 8.270 nan 0.000 0.473 368 E N 0.996 121.063 120.200 -0.222 0.000 2.256 368 E HA 0.429 4.778 4.350 -0.001 0.000 0.268 368 E C -1.497 174.926 176.600 -0.295 0.000 0.877 368 E CA -0.743 55.580 56.400 -0.128 0.000 0.757 368 E CB 1.466 31.129 29.700 -0.062 0.000 1.183 368 E HN 0.348 nan 8.360 nan 0.000 0.418 369 F N 3.037 122.967 119.950 -0.033 0.000 2.440 369 F HA 0.345 4.871 4.527 -0.001 0.000 0.328 369 F C 1.454 177.249 175.800 -0.008 0.000 1.070 369 F CA -0.541 57.448 58.000 -0.019 0.000 1.011 369 F CB 0.801 39.813 39.000 0.021 0.000 1.226 369 F HN 0.547 nan 8.300 nan 0.000 0.491 370 I N 1.035 121.703 120.570 0.164 0.000 2.394 370 I HA -0.202 3.967 4.170 -0.001 0.000 0.251 370 I C 0.143 176.330 176.117 0.116 0.000 1.136 370 I CA 1.156 62.494 61.300 0.064 0.000 1.425 370 I CB -0.271 37.705 38.000 -0.040 0.000 1.079 370 I HN 0.844 nan 8.210 nan 0.000 0.425 371 N N -1.073 117.750 118.700 0.205 0.000 3.378 371 N HA 0.076 4.815 4.740 -0.001 0.000 0.294 371 N C -0.088 175.525 175.510 0.173 0.000 1.544 371 N CA -0.501 52.653 53.050 0.173 0.000 0.872 371 N CB 0.301 38.885 38.487 0.162 0.000 1.670 371 N HN -0.220 nan 8.380 nan 0.000 0.551 372 K N -1.393 119.064 120.400 0.096 0.000 2.459 372 K HA 0.265 4.584 4.320 -0.001 0.000 0.193 372 K C -0.001 176.579 176.600 -0.033 0.000 1.030 372 K CA 0.871 57.173 56.287 0.024 0.000 1.026 372 K CB -0.185 32.318 32.500 0.004 0.000 0.809 372 K HN 0.401 nan 8.250 nan 0.000 0.504 373 D N -0.043 120.348 120.400 -0.015 0.000 2.312 373 D HA -0.051 4.589 4.640 -0.001 0.000 0.211 373 D C -0.441 175.540 176.300 -0.532 0.000 0.964 373 D CA 0.803 54.664 54.000 -0.231 0.000 0.877 373 D CB -0.007 40.649 40.800 -0.239 0.000 0.924 373 D HN 0.284 nan 8.370 nan 0.000 0.515 374 Y N -0.616 119.641 120.300 -0.073 0.000 2.393 374 Y HA 0.602 5.151 4.550 -0.001 0.000 0.341 374 Y C 0.969 176.582 175.900 -0.479 0.000 0.988 374 Y CA -0.772 57.242 58.100 -0.143 0.000 1.078 374 Y CB 2.567 41.055 38.460 0.046 0.000 1.203 374 Y HN -0.202 nan 8.280 nan 0.000 0.453 375 G N 1.626 110.012 108.800 -0.689 0.000 2.749 375 G HA2 0.535 4.494 3.960 -0.001 0.000 0.300 375 G HA3 0.535 4.494 3.960 -0.001 0.000 0.300 375 G C -3.280 170.911 174.900 -1.182 0.000 1.352 375 G CA -1.961 42.285 45.100 -1.424 0.000 0.789 375 G HN 0.235 nan 8.290 nan 0.000 0.509 376 P HA 0.185 nan 4.420 nan 0.000 0.261 376 P C -2.295 174.953 177.300 -0.088 0.000 1.173 376 P CA -0.258 62.745 63.100 -0.160 0.000 0.760 376 P CB 0.059 31.709 31.700 -0.082 0.000 0.783 377 P HA 0.003 nan 4.420 nan 0.000 0.264 377 P C -0.205 177.141 177.300 0.077 0.000 1.183 377 P CA 0.484 63.632 63.100 0.079 0.000 0.763 377 P CB 0.227 32.011 31.700 0.139 0.000 0.807 378 T N -0.724 113.864 114.554 0.056 0.000 2.907 378 T HA 0.714 5.063 4.350 -0.001 0.000 0.292 378 T C -0.168 174.565 174.700 0.055 0.000 1.043 378 T CA -0.821 61.318 62.100 0.065 0.000 1.003 378 T CB 1.258 70.154 68.868 0.046 0.000 1.084 378 T HN 0.234 nan 8.240 nan 0.000 0.483 379 V N -1.253 118.688 119.914 0.045 0.000 3.046 379 V HA 0.746 4.866 4.120 -0.001 0.000 0.316 379 V C -0.438 175.677 176.094 0.035 0.000 1.104 379 V CA -1.246 61.079 62.300 0.043 0.000 1.006 379 V CB 1.673 33.522 31.823 0.044 0.000 1.058 379 V HN 0.917 nan 8.190 nan 0.000 0.440 380 E N 1.569 121.797 120.200 0.047 0.000 2.354 380 E HA 0.541 4.890 4.350 -0.001 0.000 0.269 380 E C -0.232 176.412 176.600 0.073 0.000 1.036 380 E CA -0.072 56.363 56.400 0.059 0.000 0.876 380 E CB 1.747 31.489 29.700 0.070 0.000 1.009 380 E HN 1.037 nan 8.360 nan 0.000 0.416 381 V N -0.337 119.630 119.914 0.088 0.000 3.078 381 V HA 0.619 4.738 4.120 -0.001 0.000 0.311 381 V C -0.543 175.706 176.094 0.258 0.000 1.138 381 V CA -0.852 61.526 62.300 0.131 0.000 1.007 381 V CB 2.604 34.410 31.823 -0.028 0.000 1.045 381 V HN 0.773 nan 8.190 nan 0.000 0.432 382 H N 1.106 120.314 119.070 0.231 0.000 3.046 382 H HA 0.510 5.066 4.556 -0.001 0.000 0.361 382 H C -1.484 173.999 175.328 0.258 0.000 1.235 382 H CA -0.352 55.836 56.048 0.233 0.000 1.146 382 H CB 2.840 32.718 29.762 0.193 0.000 1.859 382 H HN 0.922 nan 8.280 nan 0.000 0.548 383 Q N 0.000 119.724 119.800 -0.127 0.000 2.315 383 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 383 Q CA 0.000 55.715 55.803 -0.146 0.000 1.022 383 Q CB 0.000 28.562 28.738 -0.293 0.000 1.108 383 Q HN 0.000 nan 8.270 nan 0.000 0.481