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 2efu_1_B DATA FIRST_RESID 4 DATA SEQUENCE LNNAIQGILD DHVARGVVGV SLALCLPGEE TSLYQSGYAD KFNKMPMTGD DATA SEQUENCE HLFRIASCTK SFIATGLHLL VQDGTVDLDE PITRWFPDLP KAAQMPVRIL DATA SEQUENCE LNHRSGLPDF ETSMPMISDK SWTAQEIVDF SFRHGVQKEP WHGMEYSNTG DATA SEQUENCE YVLAGMIIAH ETGKPYSDHL RSRIFAPLGM KDTWVGTHET FPIEREARGY DATA SEQUENCE MHAXADDENP QWDVSGAGDP VDGVWDSTEW FPLSGANAAG DMVSTPRDIV DATA SEQUENCE KFLNALFDGR ILDQKRLWEM KDNIKPAFFP GSNTVANGHG LLLMRYGSSE DATA SEQUENCE LKGHLGQIPG HTSIMGRDEE TGAALMLIQN SGAGDFESFY LKGVNEPVDR DATA SEQUENCE VLEAIKNSRS 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.878 176.870 0.013 0.000 1.165 4 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 4 L CB 0.000 42.060 42.059 0.001 0.000 0.961 5 N N 1.011 119.764 118.700 0.088 0.000 2.060 5 N HA -0.213 4.527 4.740 0.001 0.000 0.195 5 N C 1.457 177.053 175.510 0.143 0.000 1.028 5 N CA 1.944 55.120 53.050 0.210 0.000 0.861 5 N CB -0.786 37.810 38.487 0.182 0.000 1.029 5 N HN 0.557 nan 8.380 nan 0.000 0.428 6 N N 1.056 119.796 118.700 0.067 0.000 2.142 6 N HA -0.067 4.674 4.740 0.001 0.000 0.186 6 N C 1.527 177.035 175.510 -0.004 0.000 1.023 6 N CA 1.326 54.398 53.050 0.037 0.000 0.852 6 N CB -0.052 38.450 38.487 0.024 0.000 0.998 6 N HN 0.205 nan 8.380 nan 0.000 0.424 7 A N 1.271 124.075 122.820 -0.027 0.000 1.933 7 A HA -0.057 4.264 4.320 0.001 0.000 0.218 7 A C 2.394 179.914 177.584 -0.108 0.000 1.175 7 A CA 0.844 52.848 52.037 -0.056 0.000 0.628 7 A CB -0.558 18.409 19.000 -0.054 0.000 0.814 7 A HN 0.364 nan 8.150 nan 0.000 0.444 8 I N -1.094 119.365 120.570 -0.184 0.000 2.252 8 I HA -0.252 3.918 4.170 0.001 0.000 0.245 8 I C 2.749 178.689 176.117 -0.296 0.000 1.102 8 I CA 1.666 62.750 61.300 -0.359 0.000 1.385 8 I CB -0.233 37.310 38.000 -0.762 0.000 1.064 8 I HN 0.373 nan 8.210 nan 0.000 0.414 9 Q N 1.202 120.909 119.800 -0.155 0.000 2.096 9 Q HA -0.157 4.184 4.340 0.001 0.000 0.204 9 Q C 2.101 178.090 176.000 -0.019 0.000 0.982 9 Q CA 2.209 58.008 55.803 -0.007 0.000 0.850 9 Q CB -0.731 28.066 28.738 0.098 0.000 0.901 9 Q HN 0.486 nan 8.270 nan 0.000 0.422 10 G N 0.155 108.939 108.800 -0.028 0.000 2.422 10 G HA2 -0.213 3.748 3.960 0.001 0.000 0.218 10 G HA3 -0.213 3.748 3.960 0.001 0.000 0.218 10 G C 1.447 176.336 174.900 -0.019 0.000 1.146 10 G CA 0.869 45.959 45.100 -0.016 0.000 0.769 10 G HN 0.420 nan 8.290 nan 0.000 0.547 11 I N 0.419 120.959 120.570 -0.050 0.000 2.208 11 I HA -0.154 4.017 4.170 0.001 0.000 0.245 11 I C 2.677 178.783 176.117 -0.019 0.000 1.097 11 I CA 0.774 62.044 61.300 -0.050 0.000 1.363 11 I CB -0.121 37.816 38.000 -0.104 0.000 1.051 11 I HN 0.141 nan 8.210 nan 0.000 0.413 12 L N -0.098 121.104 121.223 -0.035 0.000 2.072 12 L HA -0.190 4.150 4.340 0.001 0.000 0.205 12 L C 2.178 179.087 176.870 0.066 0.000 1.079 12 L CA 1.178 56.027 54.840 0.014 0.000 0.752 12 L CB -0.843 41.214 42.059 -0.004 0.000 0.906 12 L HN 0.274 nan 8.230 nan 0.000 0.436 13 D N 0.313 120.736 120.400 0.038 0.000 2.117 13 D HA -0.185 4.455 4.640 0.001 0.000 0.197 13 D C 1.722 178.051 176.300 0.050 0.000 0.987 13 D CA 1.281 55.303 54.000 0.037 0.000 0.829 13 D CB -0.254 40.558 40.800 0.020 0.000 0.961 13 D HN 0.285 nan 8.370 nan 0.000 0.460 14 D N -0.334 120.097 120.400 0.051 0.000 2.123 14 D HA -0.158 4.482 4.640 0.001 0.000 0.196 14 D C 1.951 178.310 176.300 0.098 0.000 0.992 14 D CA 0.997 55.030 54.000 0.055 0.000 0.833 14 D CB -0.417 40.409 40.800 0.042 0.000 0.954 14 D HN 0.350 nan 8.370 nan 0.000 0.455 15 H N 0.176 119.268 119.070 0.036 0.000 2.357 15 H HA -0.007 4.549 4.556 0.000 0.000 0.301 15 H C 1.971 177.367 175.328 0.113 0.000 1.082 15 H CA 1.024 57.125 56.048 0.088 0.000 1.342 15 H CB -0.147 29.649 29.762 0.057 0.000 1.389 15 H HN -0.103 nan 8.280 nan 0.000 0.511 16 V N 0.531 120.506 119.914 0.103 0.000 2.343 16 V HA -0.269 3.852 4.120 0.001 0.000 0.247 16 V C 2.645 178.759 176.094 0.033 0.000 1.051 16 V CA 1.667 64.002 62.300 0.057 0.000 1.036 16 V CB -1.158 30.703 31.823 0.063 0.000 0.654 16 V HN 0.674 nan 8.190 nan 0.000 0.451 17 A N -0.088 122.747 122.820 0.025 0.000 1.972 17 A HA -0.187 4.134 4.320 0.001 0.000 0.219 17 A C 2.243 179.812 177.584 -0.026 0.000 1.169 17 A CA 1.312 53.353 52.037 0.006 0.000 0.635 17 A CB -0.473 18.529 19.000 0.004 0.000 0.810 17 A HN 0.532 nan 8.150 nan 0.000 0.446 18 R N -1.231 119.233 120.500 -0.059 0.000 2.339 18 R HA 0.098 4.438 4.340 0.001 0.000 0.199 18 R C 1.279 177.509 176.300 -0.118 0.000 1.018 18 R CA 0.594 56.595 56.100 -0.165 0.000 1.036 18 R CB -0.163 29.968 30.300 -0.282 0.000 0.899 18 R HN 0.697 nan 8.270 nan 0.000 0.473 19 G N -0.186 108.627 108.800 0.022 0.000 2.255 19 G HA2 -0.212 3.748 3.960 0.001 0.000 0.196 19 G HA3 -0.212 3.748 3.960 0.001 0.000 0.196 19 G C 0.117 175.160 174.900 0.238 0.000 0.998 19 G CA -0.423 44.771 45.100 0.156 0.000 0.656 19 G HN 0.094 nan 8.290 nan 0.000 0.490 20 V N 2.165 122.171 119.914 0.153 0.000 2.521 20 V HA 0.222 4.342 4.120 0.001 0.000 0.286 20 V C 2.068 178.255 176.094 0.156 0.000 1.034 20 V CA 0.437 62.823 62.300 0.142 0.000 1.045 20 V CB 1.466 33.271 31.823 -0.030 0.000 0.974 20 V HN 0.176 nan 8.190 nan 0.000 0.480 21 V N 4.368 124.407 119.914 0.207 0.000 2.343 21 V HA 0.074 4.195 4.120 0.001 0.000 0.247 21 V C 1.128 177.313 176.094 0.153 0.000 1.051 21 V CA 1.984 64.366 62.300 0.138 0.000 1.036 21 V CB -0.746 31.113 31.823 0.060 0.000 0.654 21 V HN 1.045 nan 8.190 nan 0.000 0.451 22 G N -1.746 107.162 108.800 0.179 0.000 2.667 22 G HA2 0.558 4.518 3.960 0.001 0.000 0.294 22 G HA3 0.558 4.518 3.960 0.001 0.000 0.294 22 G C -1.980 173.023 174.900 0.172 0.000 1.467 22 G CA -0.299 44.889 45.100 0.146 0.000 0.852 22 G HN 0.013 nan 8.290 nan 0.000 0.521 23 V N -0.028 119.964 119.914 0.129 0.000 2.808 23 V HA 0.816 4.936 4.120 0.001 0.000 0.308 23 V C -0.272 175.863 176.094 0.069 0.000 1.099 23 V CA -0.891 61.459 62.300 0.084 0.000 0.920 23 V CB 1.884 33.752 31.823 0.075 0.000 1.014 23 V HN 0.929 nan 8.190 nan 0.000 0.425 24 S N 3.415 119.106 115.700 -0.015 0.000 2.532 24 S HA 0.863 5.333 4.470 0.001 0.000 0.299 24 S C -1.372 173.188 174.600 -0.066 0.000 1.105 24 S CA -0.426 57.784 58.200 0.016 0.000 1.018 24 S CB 1.337 64.616 63.200 0.131 0.000 1.021 24 S HN 0.764 nan 8.310 nan 0.000 0.483 25 L N 4.447 125.683 121.223 0.021 0.000 2.401 25 L HA 0.983 5.323 4.340 0.001 0.000 0.266 25 L C -0.857 176.058 176.870 0.076 0.000 0.991 25 L CA -0.222 54.628 54.840 0.017 0.000 0.818 25 L CB 1.834 43.907 42.059 0.023 0.000 1.321 25 L HN 0.745 nan 8.230 nan 0.000 0.413 26 A N 4.389 127.233 122.820 0.041 0.000 2.371 26 A HA 0.831 5.152 4.320 0.001 0.000 0.311 26 A C -1.895 175.717 177.584 0.047 0.000 1.068 26 A CA -0.469 51.601 52.037 0.056 0.000 0.744 26 A CB 1.473 20.494 19.000 0.034 0.000 1.239 26 A HN 0.838 nan 8.150 nan 0.000 0.435 27 L N 2.029 123.295 121.223 0.071 0.000 2.438 27 L HA 0.686 5.026 4.340 0.001 0.000 0.270 27 L C -1.285 175.606 176.870 0.034 0.000 0.972 27 L CA -0.162 54.705 54.840 0.044 0.000 0.831 27 L CB 1.731 43.834 42.059 0.073 0.000 1.273 27 L HN 0.810 nan 8.230 nan 0.000 0.405 28 C N 6.396 125.698 119.300 0.002 0.000 2.293 28 C HA 0.624 5.084 4.460 0.001 0.000 0.323 28 C C -0.442 174.537 174.990 -0.017 0.000 1.240 28 C CA -0.818 58.198 59.018 -0.002 0.000 1.497 28 C CB -0.295 27.442 27.740 -0.005 0.000 2.171 28 C HN 0.779 nan 8.230 nan 0.000 0.465 29 L N 8.261 129.479 121.223 -0.008 0.000 2.307 29 L HA 0.446 4.786 4.340 0.001 0.000 0.282 29 L C -1.764 175.097 176.870 -0.015 0.000 1.051 29 L CA -1.545 53.285 54.840 -0.017 0.000 0.804 29 L CB 1.439 43.493 42.059 -0.009 0.000 1.197 29 L HN 0.494 nan 8.230 nan 0.000 0.431 30 P HA 0.003 nan 4.420 nan 0.000 0.265 30 P C 0.690 177.985 177.300 -0.008 0.000 1.193 30 P CA 0.492 63.583 63.100 -0.015 0.000 0.765 30 P CB 0.780 32.469 31.700 -0.018 0.000 0.823 31 G N 1.630 110.427 108.800 -0.005 0.000 2.160 31 G HA2 -0.229 3.732 3.960 0.001 0.000 0.251 31 G HA3 -0.229 3.732 3.960 0.001 0.000 0.251 31 G C -0.185 174.714 174.900 -0.001 0.000 1.008 31 G CA 0.048 45.147 45.100 -0.002 0.000 0.724 31 G HN 0.619 nan 8.290 nan 0.000 0.514 32 E N -0.611 119.589 120.200 -0.001 0.000 2.408 32 E HA 0.420 4.770 4.350 0.001 0.000 0.275 32 E C -0.464 176.137 176.600 0.001 0.000 0.935 32 E CA -0.939 55.462 56.400 0.001 0.000 0.775 32 E CB 1.519 31.222 29.700 0.004 0.000 1.277 32 E HN 0.392 nan 8.360 nan 0.000 0.455 33 E N 0.768 120.968 120.200 -0.000 0.000 2.354 33 E HA 0.141 4.491 4.350 0.001 0.000 0.269 33 E C -0.628 175.970 176.600 -0.003 0.000 1.036 33 E CA -0.123 56.275 56.400 -0.003 0.000 0.876 33 E CB 0.635 30.330 29.700 -0.008 0.000 1.009 33 E HN 0.279 nan 8.360 nan 0.000 0.416 34 T N 2.520 117.073 114.554 -0.002 0.000 2.866 34 T HA 0.022 4.372 4.350 0.001 0.000 0.293 34 T C -0.096 174.593 174.700 -0.018 0.000 1.005 34 T CA 0.161 62.261 62.100 0.001 0.000 1.162 34 T CB 0.140 69.011 68.868 0.005 0.000 0.968 34 T HN 0.288 nan 8.240 nan 0.000 0.530 35 S N 3.647 119.345 115.700 -0.002 0.000 2.442 35 S HA 0.524 4.994 4.470 0.001 0.000 0.297 35 S C -0.428 174.116 174.600 -0.094 0.000 1.131 35 S CA -0.943 57.214 58.200 -0.072 0.000 1.092 35 S CB 0.789 64.027 63.200 0.062 0.000 0.998 35 S HN 0.350 nan 8.310 nan 0.000 0.478 36 L N 3.318 124.383 121.223 -0.264 0.000 2.317 36 L HA 0.596 4.936 4.340 0.001 0.000 0.281 36 L C -1.050 175.565 176.870 -0.426 0.000 1.024 36 L CA -0.320 54.411 54.840 -0.182 0.000 0.810 36 L CB 0.594 42.597 42.059 -0.093 0.000 1.240 36 L HN 0.650 nan 8.230 nan 0.000 0.427 37 Y N 1.269 121.565 120.300 -0.007 0.000 2.524 37 Y HA 0.727 5.277 4.550 0.001 0.000 0.347 37 Y C -0.448 175.452 175.900 0.000 0.000 1.005 37 Y CA -0.992 57.103 58.100 -0.008 0.000 1.025 37 Y CB 2.206 40.653 38.460 -0.022 0.000 1.275 37 Y HN 0.465 nan 8.280 nan 0.000 0.460 38 Q N 0.704 120.594 119.800 0.150 0.000 2.416 38 Q HA 0.762 5.102 4.340 0.001 0.000 0.281 38 Q C -1.327 174.709 176.000 0.059 0.000 1.067 38 Q CA -1.018 54.842 55.803 0.095 0.000 0.809 38 Q CB 2.737 31.523 28.738 0.080 0.000 1.418 38 Q HN 0.534 nan 8.270 nan 0.000 0.411 39 S N -0.329 115.388 115.700 0.028 0.000 2.556 39 S HA 0.846 5.316 4.470 0.001 0.000 0.271 39 S C -0.193 174.363 174.600 -0.073 0.000 1.135 39 S CA 0.385 58.573 58.200 -0.021 0.000 0.858 39 S CB 1.128 64.336 63.200 0.013 0.000 1.114 39 S HN 1.284 nan 8.310 nan 0.000 0.468 40 G N 2.283 110.963 108.800 -0.201 0.000 2.539 40 G HA2 -0.202 3.758 3.960 0.001 0.000 0.256 40 G HA3 -0.202 3.758 3.960 0.001 0.000 0.256 40 G C -1.427 173.139 174.900 -0.557 0.000 1.233 40 G CA 0.312 45.212 45.100 -0.335 0.000 0.936 40 G HN 0.944 nan 8.290 nan 0.000 0.571 41 Y N 0.054 120.353 120.300 -0.002 0.000 2.446 41 Y HA 0.648 5.198 4.550 0.000 0.000 0.345 41 Y C 1.325 177.201 175.900 -0.040 0.000 0.984 41 Y CA 0.154 58.234 58.100 -0.034 0.000 1.058 41 Y CB 1.948 40.365 38.460 -0.072 0.000 1.220 41 Y HN 0.856 nan 8.280 nan 0.000 0.455 42 A N 0.719 123.539 122.820 0.000 0.000 1.935 42 A HA -0.013 4.307 4.320 0.001 0.000 0.214 42 A C 0.218 177.835 177.584 0.054 0.000 1.178 42 A CA 1.292 53.216 52.037 -0.188 0.000 0.640 42 A CB 0.012 18.501 19.000 -0.852 0.000 0.825 42 A HN 0.631 nan 8.150 nan 0.000 0.447 43 D N -1.045 119.431 120.400 0.126 0.000 2.505 43 D HA 0.237 4.878 4.640 0.001 0.000 0.250 43 D C 0.616 176.950 176.300 0.056 0.000 1.164 43 D CA -0.421 53.689 54.000 0.183 0.000 0.870 43 D CB 1.401 42.285 40.800 0.140 0.000 1.160 43 D HN 0.179 nan 8.370 nan 0.000 0.549 44 K N 2.700 123.057 120.400 -0.071 0.000 2.057 44 K HA -0.121 4.199 4.320 0.001 0.000 0.207 44 K C 0.928 177.128 176.600 -0.666 0.000 1.049 44 K CA 1.391 57.311 56.287 -0.612 0.000 0.931 44 K CB 0.035 31.752 32.500 -1.306 0.000 0.714 44 K HN 0.288 nan 8.250 nan 0.000 0.440 45 F N 0.550 120.440 119.950 -0.100 0.000 2.387 45 F HA 0.121 4.649 4.527 0.001 0.000 0.294 45 F C 1.352 177.100 175.800 -0.087 0.000 1.093 45 F CA 0.666 58.608 58.000 -0.096 0.000 1.420 45 F CB -0.128 38.849 39.000 -0.039 0.000 1.086 45 F HN 0.056 nan 8.300 nan 0.000 0.531 46 N N 0.350 119.107 118.700 0.094 0.000 2.383 46 N HA -0.025 4.715 4.740 0.001 0.000 0.192 46 N C -0.310 175.185 175.510 -0.025 0.000 1.141 46 N CA 0.050 53.126 53.050 0.044 0.000 0.851 46 N CB 0.072 38.604 38.487 0.075 0.000 0.976 46 N HN -0.170 nan 8.380 nan 0.000 0.465 47 K N 0.497 120.799 120.400 -0.163 0.000 3.148 47 K HA -0.181 4.139 4.320 0.001 0.000 0.267 47 K C -0.806 175.821 176.600 0.044 0.000 0.996 47 K CA 0.795 56.884 56.287 -0.329 0.000 0.737 47 K CB -1.365 30.968 32.500 -0.279 0.000 1.308 47 K HN 0.324 nan 8.250 nan 0.000 0.470 48 M N 1.207 120.899 119.600 0.154 0.000 2.063 48 M HA 0.222 4.703 4.480 0.001 0.000 0.348 48 M C -1.978 174.522 176.300 0.334 0.000 1.180 48 M CA -2.394 53.043 55.300 0.228 0.000 1.059 48 M CB 0.600 33.297 32.600 0.163 0.000 1.544 48 M HN -0.147 nan 8.290 nan 0.000 0.447 49 P HA 0.134 nan 4.420 nan 0.000 0.271 49 P C -0.306 177.007 177.300 0.021 0.000 1.218 49 P CA -0.468 62.655 63.100 0.039 0.000 0.780 49 P CB 0.504 32.193 31.700 -0.018 0.000 0.901 50 M N 3.034 122.584 119.600 -0.084 0.000 2.246 50 M HA 0.190 4.670 4.480 0.001 0.000 0.350 50 M C 0.174 176.565 176.300 0.153 0.000 1.406 50 M CA 0.850 56.132 55.300 -0.030 0.000 1.089 50 M CB -0.418 32.180 32.600 -0.003 0.000 1.782 50 M HN 0.508 nan 8.290 nan 0.000 0.457 51 T N 1.091 115.903 114.554 0.429 0.000 2.910 51 T HA 0.704 5.054 4.350 0.001 0.000 0.287 51 T C 0.856 175.695 174.700 0.232 0.000 1.050 51 T CA -0.510 61.746 62.100 0.260 0.000 1.011 51 T CB 1.357 70.318 68.868 0.156 0.000 1.195 51 T HN 0.652 nan 8.240 nan 0.000 0.540 52 G N -0.467 108.404 108.800 0.119 0.000 2.848 52 G HA2 0.066 4.026 3.960 0.001 0.000 0.208 52 G HA3 0.066 4.026 3.960 0.001 0.000 0.208 52 G C 0.681 175.636 174.900 0.091 0.000 1.152 52 G CA 0.061 45.223 45.100 0.103 0.000 0.789 52 G HN 0.770 nan 8.290 nan 0.000 0.531 53 D N -0.313 120.114 120.400 0.045 0.000 2.367 53 D HA 0.040 4.680 4.640 0.001 0.000 0.207 53 D C 0.302 176.570 176.300 -0.053 0.000 1.034 53 D CA -0.069 53.921 54.000 -0.016 0.000 0.861 53 D CB 0.065 40.819 40.800 -0.076 0.000 0.943 53 D HN 0.283 nan 8.370 nan 0.000 0.515 54 H N 0.979 120.086 119.070 0.062 0.000 2.928 54 H HA 0.115 4.671 4.556 0.001 0.000 0.338 54 H C 0.723 176.040 175.328 -0.020 0.000 1.047 54 H CA 0.328 56.364 56.048 -0.021 0.000 1.435 54 H CB 1.066 30.759 29.762 -0.115 0.000 1.428 54 H HN -0.006 nan 8.280 nan 0.000 0.590 55 L N 3.739 124.979 121.223 0.028 0.000 2.399 55 L HA 0.315 4.655 4.340 0.001 0.000 0.266 55 L C -0.175 176.569 176.870 -0.210 0.000 1.114 55 L CA -0.099 54.771 54.840 0.051 0.000 0.804 55 L CB 0.474 42.595 42.059 0.104 0.000 1.146 55 L HN 0.381 nan 8.230 nan 0.000 0.451 56 F N -0.228 119.724 119.950 0.002 0.000 2.613 56 F HA 0.497 5.024 4.527 0.000 0.000 0.314 56 F C -0.026 175.807 175.800 0.054 0.000 1.075 56 F CA -0.941 57.026 58.000 -0.056 0.000 0.945 56 F CB 1.675 40.523 39.000 -0.253 0.000 1.310 56 F HN 0.247 nan 8.300 nan 0.000 0.467 57 R N 2.572 123.377 120.500 0.508 0.000 2.248 57 R HA 0.331 4.671 4.340 0.001 0.000 0.328 57 R C 0.950 177.384 176.300 0.223 0.000 1.067 57 R CA -0.189 56.053 56.100 0.237 0.000 0.924 57 R CB 0.517 30.916 30.300 0.166 0.000 1.013 57 R HN 0.733 nan 8.270 nan 0.000 0.454 58 I N 0.208 120.844 120.570 0.109 0.000 3.684 58 I HA 0.220 4.391 4.170 0.001 0.000 0.304 58 I C 0.917 177.083 176.117 0.082 0.000 1.278 58 I CA 0.220 61.569 61.300 0.083 0.000 1.272 58 I CB -0.198 37.831 38.000 0.049 0.000 1.029 58 I HN 0.739 nan 8.210 nan 0.000 0.458 59 A N 1.899 124.777 122.820 0.096 0.000 5.483 59 A HA -0.376 3.945 4.320 0.001 0.000 0.309 59 A C 1.689 179.313 177.584 0.066 0.000 1.898 59 A CA 1.772 53.871 52.037 0.102 0.000 0.716 59 A CB -2.240 16.834 19.000 0.123 0.000 1.309 59 A HN 0.469 nan 8.150 nan 0.000 0.380 60 S N -1.221 114.516 115.700 0.062 0.000 2.500 60 S HA -0.116 4.354 4.470 0.001 0.000 0.239 60 S C 1.599 176.040 174.600 -0.264 0.000 0.989 60 S CA 1.335 59.516 58.200 -0.030 0.000 0.951 60 S CB -0.983 62.294 63.200 0.129 0.000 0.759 60 S HN 0.769 nan 8.310 nan 0.000 0.523 61 C N 1.175 120.426 119.300 -0.082 0.000 2.409 61 C HA -0.080 4.381 4.460 0.001 0.000 0.284 61 C C 2.731 177.750 174.990 0.048 0.000 1.354 61 C CA 0.900 59.900 59.018 -0.030 0.000 1.787 61 C CB -1.776 26.038 27.740 0.123 0.000 1.900 61 C HN 0.598 nan 8.230 nan 0.000 0.520 62 T N 0.952 115.527 114.554 0.035 0.000 2.737 62 T HA -0.235 4.116 4.350 0.001 0.000 0.269 62 T C 1.792 176.534 174.700 0.069 0.000 1.040 62 T CA 1.434 63.590 62.100 0.092 0.000 1.142 62 T CB -0.225 68.667 68.868 0.040 0.000 0.861 62 T HN 0.650 nan 8.240 nan 0.000 0.456 63 K N 0.919 121.201 120.400 -0.197 0.000 2.113 63 K HA -0.086 4.235 4.320 0.001 0.000 0.208 63 K C 2.703 179.287 176.600 -0.026 0.000 1.047 63 K CA 1.485 57.561 56.287 -0.351 0.000 0.928 63 K CB -0.207 31.690 32.500 -1.006 0.000 0.716 63 K HN 0.222 nan 8.250 nan 0.000 0.446 64 S N 0.537 116.215 115.700 -0.036 0.000 2.383 64 S HA -0.071 4.399 4.470 0.001 0.000 0.227 64 S C 1.670 176.306 174.600 0.060 0.000 1.026 64 S CA 1.106 59.367 58.200 0.102 0.000 0.981 64 S CB -0.237 63.046 63.200 0.138 0.000 0.818 64 S HN 0.197 nan 8.310 nan 0.000 0.472 65 F N 1.333 121.262 119.950 -0.035 0.000 2.146 65 F HA -0.004 4.524 4.527 0.000 0.000 0.298 65 F C 2.135 177.945 175.800 0.016 0.000 1.096 65 F CA 0.600 58.529 58.000 -0.119 0.000 1.275 65 F CB -0.354 38.539 39.000 -0.179 0.000 1.008 65 F HN 0.157 nan 8.300 nan 0.000 0.480 66 I N 0.191 120.904 120.570 0.238 0.000 2.226 66 I HA -0.257 3.913 4.170 0.001 0.000 0.245 66 I C 2.660 178.855 176.117 0.130 0.000 1.100 66 I CA 1.471 62.861 61.300 0.150 0.000 1.374 66 I CB -1.761 36.320 38.000 0.136 0.000 1.057 66 I HN 0.084 nan 8.210 nan 0.000 0.413 67 A N 0.499 123.449 122.820 0.216 0.000 1.902 67 A HA -0.206 4.114 4.320 0.001 0.000 0.217 67 A C 2.428 180.114 177.584 0.169 0.000 1.181 67 A CA 2.464 54.583 52.037 0.137 0.000 0.623 67 A CB -1.083 18.104 19.000 0.311 0.000 0.818 67 A HN 0.411 nan 8.150 nan 0.000 0.443 68 T N -0.163 114.542 114.554 0.250 0.000 2.708 68 T HA -0.066 4.284 4.350 0.001 0.000 0.266 68 T C 2.014 176.828 174.700 0.189 0.000 1.037 68 T CA 1.562 63.815 62.100 0.255 0.000 1.146 68 T CB -0.818 68.199 68.868 0.249 0.000 0.865 68 T HN 0.607 nan 8.240 nan 0.000 0.435 69 G N 1.437 110.332 108.800 0.159 0.000 2.476 69 G HA2 -0.209 3.751 3.960 0.001 0.000 0.218 69 G HA3 -0.209 3.751 3.960 0.001 0.000 0.218 69 G C 1.517 176.579 174.900 0.271 0.000 1.164 69 G CA 0.958 46.196 45.100 0.231 0.000 0.768 69 G HN 0.385 nan 8.290 nan 0.000 0.560 70 L N 0.042 121.300 121.223 0.058 0.000 2.027 70 L HA 0.016 4.357 4.340 0.001 0.000 0.206 70 L C 2.680 179.515 176.870 -0.059 0.000 1.074 70 L CA 1.744 56.531 54.840 -0.088 0.000 0.745 70 L CB -0.814 41.092 42.059 -0.256 0.000 0.898 70 L HN 0.288 nan 8.230 nan 0.000 0.433 71 H N -0.478 118.623 119.070 0.051 0.000 2.426 71 H HA -0.155 4.401 4.556 0.001 0.000 0.298 71 H C 2.339 177.705 175.328 0.063 0.000 1.107 71 H CA 1.898 57.974 56.048 0.047 0.000 1.298 71 H CB -0.320 29.468 29.762 0.043 0.000 1.377 71 H HN 0.351 nan 8.280 nan 0.000 0.519 72 L N 0.134 121.480 121.223 0.205 0.000 2.046 72 L HA -0.177 4.163 4.340 0.001 0.000 0.208 72 L C 2.612 179.575 176.870 0.154 0.000 1.077 72 L CA 0.758 55.698 54.840 0.166 0.000 0.747 72 L CB -0.395 41.760 42.059 0.160 0.000 0.896 72 L HN 0.175 nan 8.230 nan 0.000 0.432 73 L N -1.249 120.062 121.223 0.146 0.000 2.093 73 L HA -0.173 4.167 4.340 0.001 0.000 0.208 73 L C 2.502 179.418 176.870 0.076 0.000 1.085 73 L CA 0.629 55.517 54.840 0.080 0.000 0.755 73 L CB -0.536 41.521 42.059 -0.003 0.000 0.904 73 L HN 0.058 nan 8.230 nan 0.000 0.435 74 V N 0.633 120.596 119.914 0.082 0.000 2.261 74 V HA -0.333 3.788 4.120 0.001 0.000 0.246 74 V C 2.611 178.758 176.094 0.088 0.000 1.047 74 V CA 2.336 64.691 62.300 0.091 0.000 1.015 74 V CB -0.813 31.080 31.823 0.117 0.000 0.642 74 V HN 0.674 nan 8.190 nan 0.000 0.446 75 Q N -0.319 119.537 119.800 0.094 0.000 2.224 75 Q HA -0.235 4.106 4.340 0.001 0.000 0.203 75 Q C 1.495 177.532 176.000 0.061 0.000 0.970 75 Q CA 1.877 57.722 55.803 0.071 0.000 0.865 75 Q CB -0.478 28.299 28.738 0.065 0.000 0.922 75 Q HN 0.530 nan 8.270 nan 0.000 0.445 76 D N 0.875 121.316 120.400 0.069 0.000 2.218 76 D HA -0.029 4.611 4.640 0.001 0.000 0.204 76 D C 1.216 177.549 176.300 0.054 0.000 0.976 76 D CA 1.662 55.698 54.000 0.061 0.000 0.853 76 D CB -0.036 40.806 40.800 0.069 0.000 0.939 76 D HN 0.602 nan 8.370 nan 0.000 0.481 77 G N -0.863 107.973 108.800 0.060 0.000 2.163 77 G HA2 -0.272 3.689 3.960 0.001 0.000 0.213 77 G HA3 -0.272 3.689 3.960 0.001 0.000 0.213 77 G C 1.198 176.138 174.900 0.067 0.000 0.991 77 G CA 0.632 45.766 45.100 0.057 0.000 0.653 77 G HN 0.324 nan 8.290 nan 0.000 0.518 78 T N -0.450 114.151 114.554 0.079 0.000 3.035 78 T HA 0.396 4.747 4.350 0.001 0.000 0.259 78 T C 0.845 175.639 174.700 0.156 0.000 1.078 78 T CA 1.298 63.457 62.100 0.099 0.000 1.132 78 T CB 0.640 69.559 68.868 0.085 0.000 0.900 78 T HN 0.423 nan 8.240 nan 0.000 0.480 79 V N 1.605 121.605 119.914 0.143 0.000 2.735 79 V HA 0.459 4.579 4.120 0.001 0.000 0.310 79 V C -1.182 174.997 176.094 0.143 0.000 1.061 79 V CA -1.283 61.131 62.300 0.189 0.000 0.913 79 V CB 2.384 34.262 31.823 0.092 0.000 1.005 79 V HN 0.181 nan 8.190 nan 0.000 0.428 80 D N 2.797 123.300 120.400 0.170 0.000 2.408 80 D HA 0.366 5.006 4.640 0.001 0.000 0.243 80 D C 0.759 177.135 176.300 0.128 0.000 1.075 80 D CA -0.427 53.649 54.000 0.127 0.000 0.832 80 D CB 2.196 43.064 40.800 0.113 0.000 1.162 80 D HN 0.437 nan 8.370 nan 0.000 0.515 81 L N 2.356 123.638 121.223 0.098 0.000 2.353 81 L HA -0.086 4.254 4.340 0.001 0.000 0.220 81 L C 1.129 178.071 176.870 0.119 0.000 1.133 81 L CA 0.906 55.796 54.840 0.084 0.000 0.798 81 L CB 0.046 42.139 42.059 0.057 0.000 0.922 81 L HN 0.378 nan 8.230 nan 0.000 0.445 82 D N -0.523 119.954 120.400 0.127 0.000 2.398 82 D HA 0.021 4.661 4.640 0.001 0.000 0.210 82 D C 0.542 176.929 176.300 0.144 0.000 1.094 82 D CA 0.079 54.164 54.000 0.143 0.000 0.839 82 D CB 0.463 41.334 40.800 0.118 0.000 0.963 82 D HN 0.527 nan 8.370 nan 0.000 0.506 83 E N 2.298 122.590 120.200 0.153 0.000 2.343 83 E HA 0.254 4.605 4.350 0.001 0.000 0.269 83 E C -2.535 174.176 176.600 0.183 0.000 1.047 83 E CA -1.829 54.659 56.400 0.146 0.000 0.874 83 E CB 1.001 30.781 29.700 0.134 0.000 1.033 83 E HN -0.174 nan 8.360 nan 0.000 0.409 84 P HA -0.030 nan 4.420 nan 0.000 0.269 84 P C 0.793 178.222 177.300 0.215 0.000 1.209 84 P CA 0.039 63.232 63.100 0.155 0.000 0.776 84 P CB 0.561 32.317 31.700 0.094 0.000 0.876 85 I N -0.147 120.599 120.570 0.293 0.000 3.444 85 I HA -0.063 4.107 4.170 0.001 0.000 0.287 85 I C 1.318 177.653 176.117 0.364 0.000 1.302 85 I CA 0.461 62.057 61.300 0.494 0.000 1.368 85 I CB -1.220 37.101 38.000 0.535 0.000 1.048 85 I HN 0.186 nan 8.210 nan 0.000 0.487 86 T N -0.689 113.960 114.554 0.157 0.000 2.897 86 T HA -0.220 4.131 4.350 0.001 0.000 0.271 86 T C 1.915 176.534 174.700 -0.135 0.000 1.084 86 T CA 1.438 63.565 62.100 0.044 0.000 1.123 86 T CB -0.552 68.322 68.868 0.011 0.000 0.865 86 T HN 0.553 nan 8.240 nan 0.000 0.496 87 R N -0.325 119.979 120.500 -0.328 0.000 2.120 87 R HA -0.061 4.279 4.340 0.001 0.000 0.234 87 R C 1.739 177.485 176.300 -0.924 0.000 1.123 87 R CA 1.589 57.228 56.100 -0.768 0.000 0.975 87 R CB -0.129 29.366 30.300 -1.341 0.000 0.866 87 R HN 0.588 nan 8.270 nan 0.000 0.446 88 W N -1.241 119.759 121.300 -0.500 0.000 2.871 88 W HA 0.195 4.855 4.660 0.001 0.000 0.267 88 W C -0.276 175.645 176.519 -0.997 0.000 1.180 88 W CA -0.256 56.526 57.345 -0.938 0.000 1.463 88 W CB 0.379 28.997 29.460 -1.404 0.000 0.966 88 W HN -0.089 nan 8.180 nan 0.000 0.605 89 F N 1.576 121.611 119.950 0.141 0.000 2.523 89 F HA 0.325 4.852 4.527 0.000 0.000 0.322 89 F C -1.658 174.152 175.800 0.016 0.000 1.361 89 F CA -2.541 55.501 58.000 0.070 0.000 1.151 89 F CB -0.193 38.864 39.000 0.095 0.000 1.391 89 F HN -0.327 nan 8.300 nan 0.000 0.566 90 P HA -0.121 nan 4.420 nan 0.000 0.218 90 P C 0.492 177.812 177.300 0.034 0.000 1.149 90 P CA 1.480 64.592 63.100 0.021 0.000 0.817 90 P CB 0.495 32.176 31.700 -0.031 0.000 0.785 91 D N -0.652 119.769 120.400 0.035 0.000 2.349 91 D HA 0.081 4.721 4.640 0.001 0.000 0.214 91 D C 0.899 177.172 176.300 -0.045 0.000 1.063 91 D CA -0.161 53.836 54.000 -0.005 0.000 0.847 91 D CB 0.036 40.825 40.800 -0.018 0.000 0.933 91 D HN 0.214 nan 8.370 nan 0.000 0.513 92 L N 2.234 123.448 121.223 -0.014 0.000 2.410 92 L HA 0.235 4.575 4.340 0.001 0.000 0.273 92 L C -2.398 174.440 176.870 -0.054 0.000 1.144 92 L CA -1.178 53.590 54.840 -0.119 0.000 0.863 92 L CB 0.597 42.625 42.059 -0.052 0.000 1.140 92 L HN -0.329 nan 8.230 nan 0.000 0.463 93 P HA -0.002 nan 4.420 nan 0.000 0.261 93 P C -0.705 176.658 177.300 0.105 0.000 1.183 93 P CA 0.350 63.471 63.100 0.035 0.000 0.761 93 P CB 0.290 32.049 31.700 0.098 0.000 0.785 94 K N 1.242 121.693 120.400 0.084 0.000 3.467 94 K HA -0.244 4.076 4.320 0.001 0.000 0.309 94 K C 1.146 177.805 176.600 0.098 0.000 1.350 94 K CA 0.696 57.038 56.287 0.092 0.000 0.934 94 K CB -2.165 30.394 32.500 0.098 0.000 1.312 94 K HN 0.490 nan 8.250 nan 0.000 0.461 95 A N 1.054 123.935 122.820 0.102 0.000 1.978 95 A HA -0.008 4.312 4.320 0.001 0.000 0.220 95 A C 2.401 180.060 177.584 0.124 0.000 1.170 95 A CA 1.992 54.107 52.037 0.130 0.000 0.636 95 A CB -0.420 18.677 19.000 0.162 0.000 0.810 95 A HN 0.577 nan 8.150 nan 0.000 0.448 96 A N -1.193 121.686 122.820 0.098 0.000 2.067 96 A HA -0.099 4.222 4.320 0.001 0.000 0.219 96 A C 1.883 179.534 177.584 0.111 0.000 1.158 96 A CA 1.582 53.674 52.037 0.091 0.000 0.661 96 A CB -0.294 18.746 19.000 0.066 0.000 0.801 96 A HN 0.545 nan 8.150 nan 0.000 0.452 97 Q N -0.852 119.020 119.800 0.120 0.000 2.365 97 Q HA 0.305 4.646 4.340 0.001 0.000 0.203 97 Q C -0.183 175.917 176.000 0.166 0.000 0.929 97 Q CA 0.313 56.209 55.803 0.154 0.000 0.948 97 Q CB 0.174 29.001 28.738 0.149 0.000 1.043 97 Q HN 0.625 nan 8.270 nan 0.000 0.505 98 M N 2.281 121.962 119.600 0.135 0.000 2.027 98 M HA 0.354 4.834 4.480 0.001 0.000 0.329 98 M C -2.425 173.962 176.300 0.145 0.000 0.971 98 M CA -2.062 53.296 55.300 0.096 0.000 0.933 98 M CB 1.432 34.070 32.600 0.062 0.000 1.392 98 M HN -0.181 nan 8.290 nan 0.000 0.394 99 P HA 0.082 nan 4.420 nan 0.000 0.272 99 P C 0.874 178.260 177.300 0.144 0.000 1.240 99 P CA -0.331 62.889 63.100 0.200 0.000 0.791 99 P CB 1.248 33.114 31.700 0.276 0.000 0.978 100 V N 2.452 122.456 119.914 0.150 0.000 2.332 100 V HA -0.282 3.839 4.120 0.001 0.000 0.248 100 V C 2.793 178.890 176.094 0.005 0.000 1.055 100 V CA 2.687 65.029 62.300 0.070 0.000 1.038 100 V CB -1.360 30.499 31.823 0.059 0.000 0.651 100 V HN 0.676 nan 8.190 nan 0.000 0.450 101 R N 0.542 121.085 120.500 0.072 0.000 2.159 101 R HA -0.152 4.188 4.340 0.001 0.000 0.237 101 R C 2.147 178.491 176.300 0.072 0.000 1.131 101 R CA 2.075 58.256 56.100 0.134 0.000 0.982 101 R CB -0.774 29.664 30.300 0.231 0.000 0.868 101 R HN 0.483 nan 8.270 nan 0.000 0.453 102 I N 1.122 121.660 120.570 -0.054 0.000 3.001 102 I HA -0.119 4.052 4.170 0.001 0.000 0.268 102 I C 1.645 177.602 176.117 -0.267 0.000 1.267 102 I CA 0.664 61.795 61.300 -0.283 0.000 1.472 102 I CB 0.166 37.877 38.000 -0.481 0.000 1.089 102 I HN 0.244 nan 8.210 nan 0.000 0.468 103 L N -0.254 120.832 121.223 -0.229 0.000 2.313 103 L HA -0.103 4.238 4.340 0.001 0.000 0.214 103 L C 1.898 178.443 176.870 -0.541 0.000 1.119 103 L CA 0.805 55.453 54.840 -0.319 0.000 0.809 103 L CB -0.194 41.688 42.059 -0.294 0.000 0.933 103 L HN 0.276 nan 8.230 nan 0.000 0.449 104 L N -0.329 120.616 121.223 -0.463 0.000 2.556 104 L HA 0.068 4.409 4.340 0.001 0.000 0.226 104 L C 1.523 178.180 176.870 -0.356 0.000 1.089 104 L CA 0.081 54.604 54.840 -0.528 0.000 0.864 104 L CB -0.167 41.750 42.059 -0.237 0.000 1.067 104 L HN 0.345 nan 8.230 nan 0.000 0.477 105 N N -1.876 116.608 118.700 -0.361 0.000 2.236 105 N HA -0.104 4.636 4.740 0.001 0.000 0.196 105 N C 0.373 175.765 175.510 -0.197 0.000 1.114 105 N CA -0.163 52.687 53.050 -0.333 0.000 0.859 105 N CB -0.253 38.020 38.487 -0.356 0.000 0.982 105 N HN 0.194 nan 8.380 nan 0.000 0.493 106 H N -0.269 118.756 119.070 -0.075 0.000 2.899 106 H HA -0.121 4.435 4.556 0.000 0.000 0.282 106 H C -0.284 174.993 175.328 -0.084 0.000 1.198 106 H CA 0.918 56.928 56.048 -0.063 0.000 1.140 106 H CB -1.674 28.078 29.762 -0.017 0.000 1.317 106 H HN 0.543 nan 8.280 nan 0.000 0.375 107 R N 0.027 120.450 120.500 -0.127 0.000 2.629 107 R HA 0.137 4.477 4.340 0.001 0.000 0.386 107 R C 1.589 177.719 176.300 -0.282 0.000 1.071 107 R CA 0.696 56.666 56.100 -0.217 0.000 1.104 107 R CB 0.640 30.805 30.300 -0.225 0.000 1.370 107 R HN 0.288 nan 8.270 nan 0.000 0.574 108 S N -0.548 115.041 115.700 -0.185 0.000 2.461 108 S HA 0.020 4.490 4.470 0.001 0.000 0.228 108 S C 1.674 176.257 174.600 -0.029 0.000 1.005 108 S CA 0.687 58.777 58.200 -0.185 0.000 0.942 108 S CB 0.165 63.276 63.200 -0.149 0.000 0.776 108 S HN 0.450 nan 8.310 nan 0.000 0.514 109 G N 1.137 110.004 108.800 0.112 0.000 2.175 109 G HA2 -0.273 3.688 3.960 0.001 0.000 0.265 109 G HA3 -0.273 3.688 3.960 0.001 0.000 0.265 109 G C 0.032 174.881 174.900 -0.085 0.000 0.979 109 G CA 0.487 45.578 45.100 -0.014 0.000 0.663 109 G HN 0.570 nan 8.290 nan 0.000 0.533 110 L N 2.139 123.326 121.223 -0.060 0.000 2.485 110 L HA 0.259 4.599 4.340 0.001 0.000 0.275 110 L C -1.015 175.746 176.870 -0.181 0.000 1.207 110 L CA -1.393 53.378 54.840 -0.116 0.000 0.855 110 L CB 0.331 42.349 42.059 -0.068 0.000 1.114 110 L HN 0.033 nan 8.230 nan 0.000 0.485 111 P HA 0.087 nan 4.420 nan 0.000 0.271 111 P C -1.195 176.011 177.300 -0.157 0.000 1.218 111 P CA -0.280 62.639 63.100 -0.302 0.000 0.780 111 P CB 0.986 32.375 31.700 -0.519 0.000 0.901 112 D N 0.536 120.904 120.400 -0.052 0.000 2.268 112 D HA 0.365 5.005 4.640 0.001 0.000 0.249 112 D C 0.539 176.925 176.300 0.144 0.000 1.008 112 D CA -0.492 53.513 54.000 0.010 0.000 0.939 112 D CB 0.621 41.387 40.800 -0.057 0.000 1.170 112 D HN 0.344 nan 8.370 nan 0.000 0.468 113 F N -0.336 119.704 119.950 0.151 0.000 2.731 113 F HA 0.387 4.914 4.527 0.000 0.000 0.298 113 F C 1.710 177.635 175.800 0.208 0.000 1.106 113 F CA -0.370 57.793 58.000 0.272 0.000 1.329 113 F CB -0.123 38.993 39.000 0.193 0.000 1.100 113 F HN 0.248 nan 8.300 nan 0.000 0.592 114 E N 1.812 121.872 120.200 -0.234 0.000 2.058 114 E HA -0.185 4.166 4.350 0.001 0.000 0.194 114 E C 2.090 178.752 176.600 0.104 0.000 0.997 114 E CA 2.373 58.695 56.400 -0.130 0.000 0.801 114 E CB -0.389 29.226 29.700 -0.141 0.000 0.746 114 E HN 0.542 nan 8.360 nan 0.000 0.450 115 T N -2.186 112.428 114.554 0.100 0.000 2.995 115 T HA 0.048 4.398 4.350 0.001 0.000 0.269 115 T C 2.001 176.788 174.700 0.145 0.000 1.091 115 T CA 1.179 63.341 62.100 0.104 0.000 1.128 115 T CB 0.021 68.920 68.868 0.053 0.000 0.891 115 T HN -0.101 nan 8.240 nan 0.000 0.492 116 S N 0.149 115.985 115.700 0.227 0.000 2.502 116 S HA 0.406 4.876 4.470 0.001 0.000 0.215 116 S C 0.586 175.413 174.600 0.379 0.000 1.009 116 S CA -0.509 57.834 58.200 0.239 0.000 0.908 116 S CB -0.206 63.060 63.200 0.110 0.000 0.801 116 S HN 0.536 nan 8.310 nan 0.000 0.505 117 M N 4.452 124.249 119.600 0.327 0.000 2.269 117 M HA 0.123 4.603 4.480 0.001 0.000 0.350 117 M C -2.484 173.892 176.300 0.125 0.000 1.429 117 M CA -1.595 53.742 55.300 0.062 0.000 1.063 117 M CB 0.495 33.028 32.600 -0.112 0.000 1.841 117 M HN -0.127 nan 8.290 nan 0.000 0.455 118 P HA -0.014 nan 4.420 nan 0.000 0.266 118 P C -0.137 177.269 177.300 0.177 0.000 1.215 118 P CA 0.029 63.219 63.100 0.150 0.000 0.763 118 P CB 0.588 32.392 31.700 0.173 0.000 0.806 119 M N 2.606 122.239 119.600 0.055 0.000 2.447 119 M HA 0.115 4.596 4.480 0.001 0.000 0.264 119 M C 0.873 177.240 176.300 0.112 0.000 1.095 119 M CA 0.697 56.015 55.300 0.029 0.000 1.125 119 M CB -0.374 32.067 32.600 -0.264 0.000 1.389 119 M HN 0.280 nan 8.290 nan 0.000 0.459 120 I N 0.234 120.769 120.570 -0.059 0.000 2.359 120 I HA 0.274 4.444 4.170 0.001 0.000 0.284 120 I C -0.002 176.098 176.117 -0.029 0.000 1.018 120 I CA -0.380 60.834 61.300 -0.144 0.000 1.173 120 I CB 1.116 38.825 38.000 -0.485 0.000 1.326 120 I HN -0.019 nan 8.210 nan 0.000 0.462 121 S N 3.925 119.648 115.700 0.037 0.000 2.558 121 S HA 0.278 4.748 4.470 0.001 0.000 0.277 121 S C -0.840 173.771 174.600 0.019 0.000 1.143 121 S CA -0.684 57.542 58.200 0.043 0.000 0.865 121 S CB 1.581 64.857 63.200 0.126 0.000 1.102 121 S HN 0.571 nan 8.310 nan 0.000 0.454 122 D N 1.759 122.150 120.400 -0.015 0.000 2.395 122 D HA 0.151 4.791 4.640 0.001 0.000 0.213 122 D C 0.223 176.478 176.300 -0.076 0.000 1.110 122 D CA -0.008 53.968 54.000 -0.039 0.000 0.835 122 D CB 0.435 41.210 40.800 -0.042 0.000 0.965 122 D HN 0.492 nan 8.370 nan 0.000 0.505 123 K N 1.083 121.424 120.400 -0.098 0.000 2.350 123 K HA 0.125 4.445 4.320 0.001 0.000 0.279 123 K C -0.030 176.428 176.600 -0.236 0.000 1.027 123 K CA -0.124 56.017 56.287 -0.243 0.000 0.969 123 K CB 0.840 33.065 32.500 -0.458 0.000 0.954 123 K HN -0.217 nan 8.250 nan 0.000 0.474 124 S N 4.282 119.825 115.700 -0.261 0.000 2.452 124 S HA 0.315 4.785 4.470 0.001 0.000 0.284 124 S C -1.337 173.123 174.600 -0.233 0.000 1.171 124 S CA -0.797 57.307 58.200 -0.159 0.000 1.064 124 S CB 0.127 63.261 63.200 -0.110 0.000 0.967 124 S HN 0.506 nan 8.310 nan 0.000 0.484 125 W N 2.753 123.979 121.300 -0.123 0.000 2.512 125 W HA 0.474 5.134 4.660 0.000 0.000 0.335 125 W C 0.754 177.226 176.519 -0.079 0.000 1.088 125 W CA -0.666 56.614 57.345 -0.109 0.000 1.236 125 W CB 1.180 30.544 29.460 -0.160 0.000 1.307 125 W HN 0.676 nan 8.180 nan 0.000 0.567 126 T N -1.172 113.500 114.554 0.196 0.000 2.934 126 T HA 0.573 4.923 4.350 0.001 0.000 0.283 126 T C 1.047 175.846 174.700 0.164 0.000 1.005 126 T CA -0.230 61.961 62.100 0.151 0.000 1.041 126 T CB 1.636 70.575 68.868 0.117 0.000 1.042 126 T HN 0.557 nan 8.240 nan 0.000 0.505 127 A N 0.766 123.677 122.820 0.153 0.000 1.917 127 A HA -0.174 4.146 4.320 0.001 0.000 0.219 127 A C 2.352 180.004 177.584 0.114 0.000 1.182 127 A CA 2.242 54.358 52.037 0.132 0.000 0.633 127 A CB -1.259 17.856 19.000 0.192 0.000 0.819 127 A HN 0.859 nan 8.150 nan 0.000 0.448 128 Q N -0.174 119.709 119.800 0.140 0.000 2.079 128 Q HA -0.132 4.208 4.340 0.001 0.000 0.200 128 Q C 1.867 177.963 176.000 0.159 0.000 0.974 128 Q CA 2.047 57.932 55.803 0.137 0.000 0.840 128 Q CB -0.372 28.444 28.738 0.130 0.000 0.898 128 Q HN 0.759 nan 8.270 nan 0.000 0.430 129 E N -0.253 120.060 120.200 0.188 0.000 2.097 129 E HA -0.210 4.141 4.350 0.001 0.000 0.196 129 E C 1.965 178.777 176.600 0.353 0.000 1.000 129 E CA 1.465 58.035 56.400 0.283 0.000 0.804 129 E CB -0.230 29.660 29.700 0.316 0.000 0.740 129 E HN 0.442 nan 8.360 nan 0.000 0.454 130 I N 0.485 121.164 120.570 0.182 0.000 2.179 130 I HA -0.253 3.917 4.170 0.001 0.000 0.242 130 I C 2.361 178.491 176.117 0.023 0.000 1.088 130 I CA 0.751 61.969 61.300 -0.136 0.000 1.357 130 I CB -0.228 37.453 38.000 -0.531 0.000 1.051 130 I HN -0.002 nan 8.210 nan 0.000 0.409 131 V N 0.875 120.848 119.914 0.099 0.000 2.287 131 V HA -0.308 3.812 4.120 0.001 0.000 0.248 131 V C 2.105 178.411 176.094 0.353 0.000 1.053 131 V CA 2.075 64.505 62.300 0.217 0.000 1.027 131 V CB -0.757 31.152 31.823 0.143 0.000 0.646 131 V HN 0.398 nan 8.190 nan 0.000 0.447 132 D N -0.432 120.135 120.400 0.278 0.000 2.133 132 D HA -0.216 4.425 4.640 0.001 0.000 0.195 132 D C 1.898 178.402 176.300 0.340 0.000 0.997 132 D CA 1.510 55.676 54.000 0.277 0.000 0.840 132 D CB -0.421 40.507 40.800 0.212 0.000 0.947 132 D HN 0.471 nan 8.370 nan 0.000 0.452 133 F N 1.679 121.777 119.950 0.248 0.000 2.095 133 F HA -0.240 4.288 4.527 0.001 0.000 0.298 133 F C 2.467 178.442 175.800 0.290 0.000 1.104 133 F CA 1.419 59.609 58.000 0.317 0.000 1.232 133 F CB -0.025 39.174 39.000 0.332 0.000 0.987 133 F HN -0.154 nan 8.300 nan 0.000 0.475 134 S N 0.303 116.302 115.700 0.499 0.000 2.359 134 S HA -0.230 4.241 4.470 0.001 0.000 0.224 134 S C 1.789 176.394 174.600 0.009 0.000 1.035 134 S CA 1.784 60.158 58.200 0.289 0.000 1.018 134 S CB -0.866 62.471 63.200 0.228 0.000 0.876 134 S HN 0.378 nan 8.310 nan 0.000 0.448 135 F N 1.272 121.275 119.950 0.087 0.000 2.325 135 F HA 0.086 4.614 4.527 0.001 0.000 0.299 135 F C 2.537 178.296 175.800 -0.067 0.000 1.090 135 F CA 0.717 58.726 58.000 0.015 0.000 1.392 135 F CB -0.168 38.842 39.000 0.017 0.000 1.053 135 F HN 0.046 nan 8.300 nan 0.000 0.521 136 R N -0.650 119.844 120.500 -0.009 0.000 2.073 136 R HA -0.106 4.234 4.340 0.001 0.000 0.229 136 R C 1.690 177.681 176.300 -0.516 0.000 1.120 136 R CA 1.499 57.408 56.100 -0.318 0.000 0.967 136 R CB -0.168 29.831 30.300 -0.502 0.000 0.862 136 R HN 0.304 nan 8.270 nan 0.000 0.436 137 H N -1.917 117.044 119.070 -0.182 0.000 2.885 137 H HA 0.254 4.810 4.556 0.001 0.000 0.260 137 H C 0.648 175.925 175.328 -0.085 0.000 0.985 137 H CA 0.560 56.494 56.048 -0.190 0.000 1.210 137 H CB 0.799 30.326 29.762 -0.391 0.000 1.466 137 H HN 0.228 nan 8.280 nan 0.000 0.493 138 G N 0.786 109.589 108.800 0.005 0.000 2.521 138 G HA2 0.455 4.415 3.960 0.001 0.000 0.323 138 G HA3 0.455 4.415 3.960 0.001 0.000 0.323 138 G C -0.724 174.125 174.900 -0.084 0.000 1.211 138 G CA -0.350 44.734 45.100 -0.026 0.000 0.979 138 G HN 0.003 nan 8.290 nan 0.000 0.490 139 V N 0.286 120.146 119.914 -0.090 0.000 2.384 139 V HA 0.360 4.480 4.120 0.001 0.000 0.287 139 V C 0.020 176.029 176.094 -0.140 0.000 1.020 139 V CA -0.622 61.621 62.300 -0.095 0.000 0.850 139 V CB 1.237 33.020 31.823 -0.067 0.000 0.987 139 V HN 0.790 nan 8.190 nan 0.000 0.436 140 Q N 4.577 124.295 119.800 -0.136 0.000 2.296 140 Q HA 0.421 4.761 4.340 0.001 0.000 0.257 140 Q C -0.401 175.532 176.000 -0.112 0.000 0.942 140 Q CA -0.348 55.374 55.803 -0.135 0.000 0.939 140 Q CB 0.956 29.652 28.738 -0.071 0.000 1.198 140 Q HN 0.695 nan 8.270 nan 0.000 0.429 141 K N 2.096 122.391 120.400 -0.176 0.000 2.267 141 K HA 0.337 4.657 4.320 0.001 0.000 0.236 141 K C -0.558 175.982 176.600 -0.100 0.000 1.030 141 K CA -1.032 55.129 56.287 -0.211 0.000 0.930 141 K CB 0.689 32.871 32.500 -0.529 0.000 1.182 141 K HN 0.531 nan 8.250 nan 0.000 0.474 142 E N 2.014 122.196 120.200 -0.030 0.000 2.360 142 E HA 0.126 4.476 4.350 0.001 0.000 0.269 142 E C -2.357 174.329 176.600 0.144 0.000 1.022 142 E CA -2.103 54.342 56.400 0.075 0.000 0.887 142 E CB -0.014 29.755 29.700 0.114 0.000 0.990 142 E HN 0.230 nan 8.360 nan 0.000 0.426 143 P HA -0.130 nan 4.420 nan 0.000 0.265 143 P C -0.408 176.981 177.300 0.150 0.000 1.187 143 P CA 0.441 63.552 63.100 0.018 0.000 0.766 143 P CB 0.116 31.808 31.700 -0.014 0.000 0.820 144 W N -0.567 120.799 121.300 0.111 0.000 2.869 144 W HA -0.294 4.367 4.660 0.000 0.000 0.285 144 W C 1.633 178.149 176.519 -0.006 0.000 1.098 144 W CA 1.075 58.438 57.345 0.031 0.000 0.571 144 W CB -2.976 26.508 29.460 0.039 0.000 2.131 144 W HN 0.680 nan 8.180 nan 0.000 1.367 145 H N -0.663 118.503 119.070 0.161 0.000 2.426 145 H HA 0.295 4.852 4.556 0.001 0.000 0.298 145 H C 1.492 176.882 175.328 0.102 0.000 1.107 145 H CA 1.742 57.856 56.048 0.110 0.000 1.298 145 H CB -0.307 29.490 29.762 0.058 0.000 1.377 145 H HN 0.341 nan 8.280 nan 0.000 0.519 146 G N -0.792 107.591 108.800 -0.695 0.000 2.356 146 G HA2 0.170 4.130 3.960 0.001 0.000 0.288 146 G HA3 0.170 4.130 3.960 0.001 0.000 0.288 146 G C -1.568 173.010 174.900 -0.537 0.000 1.302 146 G CA -0.420 44.427 45.100 -0.421 0.000 0.887 146 G HN 0.296 nan 8.290 nan 0.000 0.521 147 M N 1.214 120.701 119.600 -0.188 0.000 2.188 147 M HA 0.652 5.132 4.480 0.001 0.000 0.357 147 M C -0.542 175.783 176.300 0.042 0.000 1.204 147 M CA -0.090 55.179 55.300 -0.052 0.000 1.095 147 M CB 0.760 33.386 32.600 0.042 0.000 1.604 147 M HN 0.717 nan 8.290 nan 0.000 0.464 148 E N 4.654 124.929 120.200 0.125 0.000 2.294 148 E HA 0.154 4.504 4.350 0.001 0.000 0.272 148 E C -1.882 174.826 176.600 0.180 0.000 0.896 148 E CA -0.578 55.930 56.400 0.181 0.000 0.802 148 E CB 1.407 31.255 29.700 0.247 0.000 1.267 148 E HN 0.646 nan 8.360 nan 0.000 0.406 149 Y N 3.232 123.515 120.300 -0.028 0.000 2.881 149 Y HA -0.009 4.541 4.550 0.001 0.000 0.335 149 Y C -0.346 175.602 175.900 0.081 0.000 1.263 149 Y CA 1.269 59.298 58.100 -0.119 0.000 1.572 149 Y CB 0.663 39.001 38.460 -0.203 0.000 1.237 149 Y HN 0.331 nan 8.280 nan 0.000 0.568 150 S N 5.968 121.636 115.700 -0.053 0.000 2.659 150 S HA 0.349 4.820 4.470 0.001 0.000 0.312 150 S C 0.243 174.831 174.600 -0.021 0.000 1.114 150 S CA -0.918 57.300 58.200 0.031 0.000 1.063 150 S CB 0.466 63.721 63.200 0.091 0.000 0.996 150 S HN 0.864 nan 8.310 nan 0.000 0.478 151 N N 2.992 121.674 118.700 -0.029 0.000 2.173 151 N HA -0.072 4.668 4.740 0.001 0.000 0.184 151 N C 1.476 177.146 175.510 0.267 0.000 1.025 151 N CA 1.448 54.532 53.050 0.056 0.000 0.852 151 N CB -0.620 37.720 38.487 -0.246 0.000 0.998 151 N HN 0.650 nan 8.380 nan 0.000 0.427 152 T N 0.683 115.393 114.554 0.260 0.000 2.685 152 T HA -0.161 4.190 4.350 0.001 0.000 0.268 152 T C 1.946 176.717 174.700 0.118 0.000 1.034 152 T CA 1.588 63.857 62.100 0.280 0.000 1.149 152 T CB -0.795 68.188 68.868 0.191 0.000 0.860 152 T HN 0.413 nan 8.240 nan 0.000 0.449 153 G N -0.351 108.480 108.800 0.052 0.000 2.442 153 G HA2 -0.216 3.744 3.960 0.001 0.000 0.219 153 G HA3 -0.216 3.744 3.960 0.001 0.000 0.219 153 G C 1.238 176.040 174.900 -0.164 0.000 1.141 153 G CA 0.568 45.614 45.100 -0.090 0.000 0.763 153 G HN 0.531 nan 8.290 nan 0.000 0.554 154 Y N 0.036 120.298 120.300 -0.063 0.000 2.286 154 Y HA 0.002 4.552 4.550 0.001 0.000 0.293 154 Y C 2.975 178.837 175.900 -0.062 0.000 1.124 154 Y CA 0.546 58.605 58.100 -0.069 0.000 1.178 154 Y CB -0.069 38.365 38.460 -0.043 0.000 1.010 154 Y HN 0.043 nan 8.280 nan 0.000 0.536 155 V N 0.301 120.295 119.914 0.133 0.000 2.255 155 V HA -0.334 3.786 4.120 0.001 0.000 0.247 155 V C 2.234 178.326 176.094 -0.004 0.000 1.051 155 V CA 1.854 64.194 62.300 0.066 0.000 1.018 155 V CB -0.829 31.046 31.823 0.087 0.000 0.641 155 V HN 0.389 nan 8.190 nan 0.000 0.445 156 L N 0.094 121.266 121.223 -0.083 0.000 2.042 156 L HA -0.205 4.136 4.340 0.001 0.000 0.210 156 L C 2.777 179.624 176.870 -0.039 0.000 1.076 156 L CA 1.607 56.333 54.840 -0.190 0.000 0.749 156 L CB -0.938 40.832 42.059 -0.482 0.000 0.893 156 L HN 0.378 nan 8.230 nan 0.000 0.432 157 A N 0.619 123.352 122.820 -0.144 0.000 1.892 157 A HA -0.202 4.118 4.320 0.001 0.000 0.218 157 A C 2.429 179.922 177.584 -0.151 0.000 1.188 157 A CA 2.017 53.931 52.037 -0.205 0.000 0.631 157 A CB -1.447 17.345 19.000 -0.346 0.000 0.822 157 A HN 0.458 nan 8.150 nan 0.000 0.447 158 G N -0.941 107.776 108.800 -0.139 0.000 2.450 158 G HA2 -0.230 3.731 3.960 0.001 0.000 0.220 158 G HA3 -0.230 3.731 3.960 0.001 0.000 0.220 158 G C 1.602 176.559 174.900 0.096 0.000 1.130 158 G CA 1.271 46.286 45.100 -0.142 0.000 0.760 158 G HN 0.509 nan 8.290 nan 0.000 0.557 159 M N -0.180 119.497 119.600 0.128 0.000 2.200 159 M HA 0.150 4.630 4.480 0.001 0.000 0.265 159 M C 2.467 178.827 176.300 0.100 0.000 1.066 159 M CA 0.874 56.304 55.300 0.217 0.000 1.127 159 M CB -0.229 32.594 32.600 0.371 0.000 1.379 159 M HN 0.175 nan 8.290 nan 0.000 0.420 160 I N 0.347 120.865 120.570 -0.087 0.000 2.179 160 I HA -0.306 3.864 4.170 0.001 0.000 0.242 160 I C 2.249 178.221 176.117 -0.242 0.000 1.088 160 I CA 1.482 62.495 61.300 -0.478 0.000 1.357 160 I CB -0.433 37.026 38.000 -0.902 0.000 1.051 160 I HN 0.239 nan 8.210 nan 0.000 0.409 161 I N 0.915 121.383 120.570 -0.169 0.000 2.163 161 I HA -0.312 3.858 4.170 0.001 0.000 0.243 161 I C 2.820 178.885 176.117 -0.087 0.000 1.085 161 I CA 1.533 62.733 61.300 -0.167 0.000 1.347 161 I CB -0.500 37.440 38.000 -0.101 0.000 1.044 161 I HN 0.194 nan 8.210 nan 0.000 0.408 162 A N -0.231 122.611 122.820 0.037 0.000 1.902 162 A HA -0.285 4.035 4.320 0.001 0.000 0.217 162 A C 2.357 179.965 177.584 0.040 0.000 1.181 162 A CA 1.814 53.881 52.037 0.050 0.000 0.623 162 A CB -1.038 18.032 19.000 0.116 0.000 0.818 162 A HN 0.548 nan 8.150 nan 0.000 0.443 163 H N -0.392 118.684 119.070 0.010 0.000 2.299 163 H HA -0.088 4.468 4.556 0.001 0.000 0.302 163 H C 1.767 177.122 175.328 0.045 0.000 1.078 163 H CA 1.749 57.827 56.048 0.051 0.000 1.323 163 H CB 0.046 29.887 29.762 0.132 0.000 1.381 163 H HN 0.402 nan 8.280 nan 0.000 0.498 164 E N -0.062 120.143 120.200 0.009 0.000 2.150 164 E HA -0.097 4.253 4.350 0.001 0.000 0.193 164 E C 2.233 178.771 176.600 -0.104 0.000 0.985 164 E CA 1.620 58.005 56.400 -0.024 0.000 0.814 164 E CB -0.380 29.347 29.700 0.045 0.000 0.752 164 E HN 0.692 nan 8.360 nan 0.000 0.466 165 T N -3.244 111.237 114.554 -0.121 0.000 3.065 165 T HA 0.236 4.586 4.350 0.001 0.000 0.252 165 T C 1.556 176.205 174.700 -0.084 0.000 1.099 165 T CA 0.718 62.757 62.100 -0.101 0.000 1.063 165 T CB 0.196 68.995 68.868 -0.116 0.000 0.948 165 T HN 0.221 nan 8.240 nan 0.000 0.506 166 G N 1.200 109.936 108.800 -0.107 0.000 2.168 166 G HA2 -0.256 3.704 3.960 0.001 0.000 0.257 166 G HA3 -0.256 3.704 3.960 0.001 0.000 0.257 166 G C -0.089 174.773 174.900 -0.063 0.000 0.997 166 G CA 0.630 45.675 45.100 -0.092 0.000 0.708 166 G HN 0.730 nan 8.290 nan 0.000 0.520 167 K N -0.622 119.739 120.400 -0.064 0.000 2.495 167 K HA 0.536 4.857 4.320 0.001 0.000 0.268 167 K C -2.860 173.663 176.600 -0.128 0.000 1.008 167 K CA -2.307 53.932 56.287 -0.080 0.000 0.882 167 K CB 2.161 34.624 32.500 -0.062 0.000 1.443 167 K HN -0.100 nan 8.250 nan 0.000 0.447 168 P HA -0.061 nan 4.420 nan 0.000 0.267 168 P C -0.113 176.988 177.300 -0.330 0.000 1.200 168 P CA 0.111 62.898 63.100 -0.521 0.000 0.772 168 P CB 0.112 31.206 31.700 -1.011 0.000 0.855 169 Y N 0.856 121.079 120.300 -0.129 0.000 2.384 169 Y HA -0.215 4.335 4.550 0.000 0.000 0.289 169 Y C 1.941 177.868 175.900 0.045 0.000 1.152 169 Y CA 1.341 59.449 58.100 0.012 0.000 1.258 169 Y CB -2.032 36.474 38.460 0.077 0.000 0.979 169 Y HN 0.302 nan 8.280 nan 0.000 0.549 170 S N -0.108 115.516 115.700 -0.126 0.000 2.382 170 S HA -0.283 4.187 4.470 0.001 0.000 0.228 170 S C 1.611 176.200 174.600 -0.019 0.000 1.027 170 S CA 1.354 59.559 58.200 0.008 0.000 0.991 170 S CB -0.827 62.375 63.200 0.004 0.000 0.823 170 S HN 0.640 nan 8.310 nan 0.000 0.469 171 D N 0.592 120.967 120.400 -0.041 0.000 2.219 171 D HA -0.152 4.488 4.640 0.001 0.000 0.205 171 D C 1.848 178.152 176.300 0.007 0.000 0.970 171 D CA 1.060 55.048 54.000 -0.020 0.000 0.851 171 D CB -0.160 40.627 40.800 -0.022 0.000 0.943 171 D HN 0.635 nan 8.370 nan 0.000 0.488 172 H N -0.847 118.185 119.070 -0.063 0.000 2.343 172 H HA 0.048 4.604 4.556 0.001 0.000 0.303 172 H C 1.692 176.947 175.328 -0.122 0.000 1.068 172 H CA 1.109 57.124 56.048 -0.054 0.000 1.359 172 H CB -0.207 29.555 29.762 -0.001 0.000 1.402 172 H HN 0.077 nan 8.280 nan 0.000 0.515 173 L N 0.588 121.704 121.223 -0.179 0.000 2.046 173 L HA -0.070 4.271 4.340 0.001 0.000 0.208 173 L C 2.716 179.018 176.870 -0.947 0.000 1.077 173 L CA 1.770 56.304 54.840 -0.511 0.000 0.747 173 L CB -0.883 40.921 42.059 -0.426 0.000 0.896 173 L HN 0.258 nan 8.230 nan 0.000 0.432 174 R N -0.487 119.595 120.500 -0.696 0.000 2.070 174 R HA -0.159 4.181 4.340 0.001 0.000 0.233 174 R C 2.517 178.673 176.300 -0.239 0.000 1.137 174 R CA 1.792 57.607 56.100 -0.475 0.000 0.945 174 R CB -0.227 30.020 30.300 -0.089 0.000 0.845 174 R HN 0.501 nan 8.270 nan 0.000 0.430 175 S N -0.395 115.205 115.700 -0.167 0.000 2.428 175 S HA -0.051 4.420 4.470 0.001 0.000 0.230 175 S C 1.747 176.287 174.600 -0.101 0.000 1.014 175 S CA 0.690 58.837 58.200 -0.088 0.000 0.957 175 S CB -0.013 63.160 63.200 -0.044 0.000 0.784 175 S HN 0.409 nan 8.310 nan 0.000 0.499 176 R N -0.575 119.814 120.500 -0.185 0.000 2.404 176 R HA 0.507 4.848 4.340 0.001 0.000 0.237 176 R C 1.095 177.325 176.300 -0.116 0.000 0.907 176 R CA 0.276 56.279 56.100 -0.162 0.000 1.063 176 R CB 0.262 30.402 30.300 -0.265 0.000 1.134 176 R HN 0.442 nan 8.270 nan 0.000 0.529 177 I N -1.249 119.230 120.570 -0.152 0.000 3.674 177 I HA 0.067 4.237 4.170 0.001 0.000 0.248 177 I C 1.074 177.295 176.117 0.173 0.000 1.134 177 I CA 0.060 61.372 61.300 0.021 0.000 1.519 177 I CB -0.217 37.815 38.000 0.054 0.000 1.598 177 I HN -0.153 nan 8.210 nan 0.000 0.442 178 F N 2.226 122.197 119.950 0.035 0.000 2.046 178 F HA -0.162 4.366 4.527 0.001 0.000 0.297 178 F C 2.758 178.549 175.800 -0.014 0.000 1.123 178 F CA 1.257 59.250 58.000 -0.011 0.000 1.199 178 F CB -1.722 37.214 39.000 -0.107 0.000 0.972 178 F HN 0.056 nan 8.300 nan 0.000 0.474 179 A N 1.055 123.967 122.820 0.153 0.000 1.865 179 A HA -0.136 4.184 4.320 0.001 0.000 0.217 179 A C 0.235 177.859 177.584 0.067 0.000 1.191 179 A CA 1.885 53.971 52.037 0.081 0.000 0.623 179 A CB -2.286 16.739 19.000 0.043 0.000 0.826 179 A HN 0.318 nan 8.150 nan 0.000 0.444 180 P HA -0.110 nan 4.420 nan 0.000 0.219 180 P C 1.153 178.495 177.300 0.070 0.000 1.146 180 P CA 0.942 64.075 63.100 0.054 0.000 0.808 180 P CB -0.168 31.558 31.700 0.044 0.000 0.779 181 L N -1.885 119.401 121.223 0.105 0.000 2.558 181 L HA 0.242 4.582 4.340 0.001 0.000 0.225 181 L C 1.448 178.370 176.870 0.087 0.000 1.128 181 L CA 0.612 55.520 54.840 0.113 0.000 0.868 181 L CB -0.920 41.248 42.059 0.181 0.000 1.006 181 L HN 0.086 nan 8.230 nan 0.000 0.454 182 G N 0.830 109.673 108.800 0.071 0.000 2.176 182 G HA2 -0.322 3.638 3.960 0.001 0.000 0.252 182 G HA3 -0.322 3.638 3.960 0.001 0.000 0.252 182 G C 0.251 175.159 174.900 0.014 0.000 1.024 182 G CA -0.079 45.044 45.100 0.039 0.000 0.755 182 G HN 0.306 nan 8.290 nan 0.000 0.507 183 M N -0.025 119.587 119.600 0.021 0.000 2.618 183 M HA 0.268 4.748 4.480 0.001 0.000 0.322 183 M C 1.370 177.545 176.300 -0.209 0.000 1.471 183 M CA 0.455 55.705 55.300 -0.083 0.000 1.450 183 M CB 0.424 32.969 32.600 -0.093 0.000 1.444 183 M HN 0.138 nan 8.290 nan 0.000 0.471 184 K N 0.728 121.009 120.400 -0.198 0.000 2.367 184 K HA 0.058 4.378 4.320 0.001 0.000 0.194 184 K C -0.155 176.204 176.600 -0.401 0.000 1.027 184 K CA 0.415 56.563 56.287 -0.232 0.000 1.075 184 K CB 0.628 33.076 32.500 -0.086 0.000 0.845 184 K HN 0.568 nan 8.250 nan 0.000 0.529 185 D N 1.135 121.272 120.400 -0.438 0.000 2.892 185 D HA 0.088 4.728 4.640 0.001 0.000 0.291 185 D C -0.696 175.195 176.300 -0.681 0.000 1.341 185 D CA 0.173 53.894 54.000 -0.464 0.000 0.844 185 D CB 1.218 41.987 40.800 -0.051 0.000 1.093 185 D HN -0.125 nan 8.370 nan 0.000 0.480 186 T N 0.377 114.198 114.554 -1.221 0.000 2.881 186 T HA 0.380 4.731 4.350 0.001 0.000 0.290 186 T C -0.710 173.273 174.700 -1.194 0.000 1.000 186 T CA -0.618 60.872 62.100 -1.017 0.000 0.978 186 T CB 1.929 70.062 68.868 -1.225 0.000 0.997 186 T HN 0.042 nan 8.240 nan 0.000 0.443 187 W N 1.269 122.383 121.300 -0.310 0.000 3.031 187 W HA 0.592 5.252 4.660 0.000 0.000 0.337 187 W C -1.078 175.417 176.519 -0.040 0.000 1.187 187 W CA -0.943 56.352 57.345 -0.083 0.000 1.166 187 W CB 1.787 31.266 29.460 0.032 0.000 1.437 187 W HN 0.244 nan 8.180 nan 0.000 0.551 188 V N 1.778 121.899 119.914 0.345 0.000 2.311 188 V HA 0.219 4.339 4.120 0.001 0.000 0.275 188 V C 1.054 177.285 176.094 0.228 0.000 1.022 188 V CA 0.038 62.502 62.300 0.274 0.000 0.830 188 V CB 0.645 32.663 31.823 0.325 0.000 1.012 188 V HN 0.908 nan 8.190 nan 0.000 0.452 189 G N 3.286 112.182 108.800 0.160 0.000 2.448 189 G HA2 -0.175 3.785 3.960 0.001 0.000 0.219 189 G HA3 -0.175 3.785 3.960 0.001 0.000 0.219 189 G C 1.324 176.261 174.900 0.062 0.000 1.127 189 G CA 1.386 46.571 45.100 0.143 0.000 0.766 189 G HN 0.634 nan 8.290 nan 0.000 0.552 190 T N -0.203 114.326 114.554 -0.042 0.000 2.904 190 T HA -0.010 4.341 4.350 0.001 0.000 0.267 190 T C 1.717 176.180 174.700 -0.395 0.000 1.059 190 T CA 1.005 62.941 62.100 -0.275 0.000 1.137 190 T CB -0.148 68.438 68.868 -0.469 0.000 0.879 190 T HN 0.420 nan 8.240 nan 0.000 0.467 191 H N 0.179 119.246 119.070 -0.005 0.000 2.893 191 H HA 0.414 4.970 4.556 0.000 0.000 0.270 191 H C 0.168 175.517 175.328 0.035 0.000 1.095 191 H CA 0.030 56.058 56.048 -0.033 0.000 1.186 191 H CB 1.094 30.770 29.762 -0.142 0.000 1.562 191 H HN 0.431 nan 8.280 nan 0.000 0.536 192 E N 1.317 121.625 120.200 0.181 0.000 2.314 192 E HA 0.258 4.608 4.350 0.001 0.000 0.272 192 E C -0.479 176.210 176.600 0.149 0.000 0.884 192 E CA -0.705 55.819 56.400 0.207 0.000 0.753 192 E CB 2.402 32.313 29.700 0.353 0.000 1.213 192 E HN 0.064 nan 8.360 nan 0.000 0.432 193 T N -0.146 114.435 114.554 0.046 0.000 2.869 193 T HA 0.541 4.891 4.350 0.001 0.000 0.295 193 T C -0.212 174.318 174.700 -0.284 0.000 0.987 193 T CA -0.672 61.361 62.100 -0.112 0.000 1.109 193 T CB -0.004 68.770 68.868 -0.157 0.000 0.932 193 T HN 0.384 nan 8.240 nan 0.000 0.518 194 F N 0.525 120.171 119.950 -0.507 0.000 2.561 194 F HA 0.759 5.287 4.527 0.000 0.000 0.321 194 F C -2.779 172.630 175.800 -0.651 0.000 1.065 194 F CA -3.413 53.991 58.000 -0.994 0.000 0.934 194 F CB 0.580 39.084 39.000 -0.826 0.000 1.215 194 F HN 0.303 nan 8.300 nan 0.000 0.471 195 P HA 0.135 nan 4.420 nan 0.000 0.273 195 P C 0.782 177.934 177.300 -0.246 0.000 1.319 195 P CA 0.021 62.892 63.100 -0.382 0.000 0.885 195 P CB 0.954 32.504 31.700 -0.250 0.000 1.015 196 I N 3.736 124.053 120.570 -0.421 0.000 2.399 196 I HA -0.268 3.903 4.170 0.001 0.000 0.254 196 I C 1.930 178.011 176.117 -0.061 0.000 1.146 196 I CA 1.664 62.821 61.300 -0.238 0.000 1.412 196 I CB -0.398 37.413 38.000 -0.314 0.000 1.076 196 I HN 0.326 nan 8.210 nan 0.000 0.432 197 E N 0.806 120.958 120.200 -0.081 0.000 2.338 197 E HA -0.223 4.127 4.350 0.001 0.000 0.197 197 E C 1.893 178.497 176.600 0.007 0.000 1.007 197 E CA 1.058 57.439 56.400 -0.031 0.000 0.849 197 E CB -0.548 29.126 29.700 -0.043 0.000 0.774 197 E HN 0.558 nan 8.360 nan 0.000 0.506 198 R N 0.566 121.071 120.500 0.009 0.000 2.300 198 R HA 0.160 4.501 4.340 0.001 0.000 0.199 198 R C 0.587 176.933 176.300 0.076 0.000 0.920 198 R CA -0.074 56.033 56.100 0.013 0.000 1.046 198 R CB 0.286 30.591 30.300 0.007 0.000 0.984 198 R HN 0.210 nan 8.270 nan 0.000 0.493 199 E N 1.476 121.741 120.200 0.108 0.000 2.290 199 E HA 0.227 4.578 4.350 0.001 0.000 0.277 199 E C -0.737 175.895 176.600 0.053 0.000 1.035 199 E CA -0.397 56.056 56.400 0.089 0.000 0.873 199 E CB 0.960 30.763 29.700 0.172 0.000 1.029 199 E HN 0.141 nan 8.360 nan 0.000 0.419 200 A N 5.463 128.204 122.820 -0.132 0.000 2.546 200 A HA 0.054 4.375 4.320 0.001 0.000 0.243 200 A C 0.112 177.665 177.584 -0.051 0.000 1.063 200 A CA -0.227 51.652 52.037 -0.263 0.000 0.757 200 A CB 0.264 18.800 19.000 -0.772 0.000 0.991 200 A HN 0.582 nan 8.150 nan 0.000 0.503 201 R N 1.348 121.816 120.500 -0.052 0.000 2.694 201 R HA 0.332 4.672 4.340 0.001 0.000 0.268 201 R C 0.594 176.758 176.300 -0.227 0.000 1.061 201 R CA 0.507 56.491 56.100 -0.193 0.000 1.133 201 R CB -0.058 30.080 30.300 -0.271 0.000 1.020 201 R HN 0.808 nan 8.270 nan 0.000 0.475 202 G N 0.979 109.479 108.800 -0.499 0.000 2.420 202 G HA2 0.572 4.532 3.960 0.001 0.000 0.331 202 G HA3 0.572 4.532 3.960 0.001 0.000 0.331 202 G C -1.443 173.036 174.900 -0.702 0.000 1.168 202 G CA -0.413 44.459 45.100 -0.379 0.000 0.936 202 G HN 0.389 nan 8.290 nan 0.000 0.479 203 Y N 1.038 121.331 120.300 -0.013 0.000 2.361 203 Y HA 0.448 4.998 4.550 0.001 0.000 0.337 203 Y C 0.251 176.124 175.900 -0.045 0.000 0.965 203 Y CA -1.127 56.923 58.100 -0.083 0.000 1.091 203 Y CB 2.292 40.675 38.460 -0.128 0.000 1.182 203 Y HN 0.168 nan 8.280 nan 0.000 0.450 204 M N 4.065 123.702 119.600 0.061 0.000 2.144 204 M HA 0.246 4.727 4.480 0.001 0.000 0.356 204 M C -0.448 176.003 176.300 0.251 0.000 1.217 204 M CA -0.129 55.282 55.300 0.185 0.000 1.087 204 M CB 0.415 33.102 32.600 0.146 0.000 1.609 204 M HN 0.674 nan 8.290 nan 0.000 0.467 205 H N 1.367 120.502 119.070 0.108 0.000 2.473 205 H HA 0.496 5.052 4.556 0.000 0.000 0.327 205 H C 0.057 175.507 175.328 0.203 0.000 1.105 205 H CA -0.410 55.609 56.048 -0.047 0.000 1.280 205 H CB 1.384 30.686 29.762 -0.767 0.000 1.450 205 H HN 0.825 nan 8.280 nan 0.000 0.492 209 D N 0.810 121.299 120.400 0.149 0.000 2.336 209 D HA 0.236 4.877 4.640 0.001 0.000 0.228 209 D C -0.155 176.217 176.300 0.121 0.000 1.120 209 D CA 0.434 54.506 54.000 0.120 0.000 0.839 209 D CB 0.041 40.911 40.800 0.116 0.000 0.932 209 D HN 0.163 nan 8.370 nan 0.000 0.509 210 D N 0.719 121.201 120.400 0.135 0.000 3.057 210 D HA 0.060 4.700 4.640 0.001 0.000 0.246 210 D C 1.099 177.436 176.300 0.062 0.000 1.238 210 D CA -0.091 53.973 54.000 0.107 0.000 0.949 210 D CB 0.334 41.225 40.800 0.152 0.000 1.086 210 D HN 0.040 nan 8.370 nan 0.000 0.487 211 E N 0.690 120.916 120.200 0.044 0.000 2.015 211 E HA -0.029 4.321 4.350 0.001 0.000 0.191 211 E C -0.238 176.365 176.600 0.005 0.000 0.991 211 E CA 0.987 57.405 56.400 0.030 0.000 0.802 211 E CB 0.197 29.916 29.700 0.031 0.000 0.759 211 E HN 0.328 nan 8.360 nan 0.000 0.447 212 N N 1.872 120.560 118.700 -0.020 0.000 2.621 212 N HA 0.256 4.997 4.740 0.001 0.000 0.237 212 N C -2.669 172.765 175.510 -0.127 0.000 0.997 212 N CA -1.441 51.579 53.050 -0.051 0.000 0.918 212 N CB 1.595 40.061 38.487 -0.035 0.000 1.122 212 N HN 0.047 nan 8.380 nan 0.000 0.510 213 P HA -0.045 nan 4.420 nan 0.000 0.267 213 P C 0.039 177.154 177.300 -0.308 0.000 1.205 213 P CA -0.061 62.922 63.100 -0.195 0.000 0.765 213 P CB 1.037 32.686 31.700 -0.085 0.000 0.828 214 Q N 2.236 121.664 119.800 -0.620 0.000 2.297 214 Q HA -0.019 4.321 4.340 0.001 0.000 0.204 214 Q C -0.141 175.563 176.000 -0.492 0.000 0.962 214 Q CA 0.741 56.084 55.803 -0.767 0.000 0.879 214 Q CB 0.032 27.869 28.738 -1.502 0.000 0.947 214 Q HN 0.405 nan 8.270 nan 0.000 0.462 215 W N 1.451 122.648 121.300 -0.172 0.000 2.666 215 W HA 0.386 5.047 4.660 0.000 0.000 0.334 215 W C -0.593 175.860 176.519 -0.109 0.000 1.051 215 W CA -1.594 55.675 57.345 -0.126 0.000 1.224 215 W CB 0.923 30.308 29.460 -0.124 0.000 1.405 215 W HN -0.041 nan 8.180 nan 0.000 0.513 216 D N 2.339 122.821 120.400 0.137 0.000 2.344 216 D HA 0.173 4.813 4.640 0.001 0.000 0.253 216 D C 0.441 176.722 176.300 -0.031 0.000 1.255 216 D CA 0.220 54.239 54.000 0.032 0.000 0.894 216 D CB 0.997 41.809 40.800 0.020 0.000 1.067 216 D HN 0.184 nan 8.370 nan 0.000 0.492 217 V N 1.233 121.083 119.914 -0.107 0.000 2.854 217 V HA 0.326 4.446 4.120 0.001 0.000 0.366 217 V C 0.500 176.346 176.094 -0.414 0.000 1.322 217 V CA -0.766 61.343 62.300 -0.318 0.000 1.243 217 V CB 0.025 31.677 31.823 -0.286 0.000 1.337 217 V HN 0.208 nan 8.190 nan 0.000 0.585 218 S N 1.477 117.019 115.700 -0.263 0.000 2.576 218 S HA 0.580 5.051 4.470 0.001 0.000 0.276 218 S C 1.386 175.825 174.600 -0.268 0.000 1.339 218 S CA 0.827 58.892 58.200 -0.224 0.000 1.039 218 S CB 0.966 64.092 63.200 -0.123 0.000 0.902 218 S HN 1.760 nan 8.310 nan 0.000 0.516 219 G N 0.882 109.551 108.800 -0.219 0.000 2.157 219 G HA2 -0.222 3.738 3.960 0.001 0.000 0.248 219 G HA3 -0.222 3.738 3.960 0.001 0.000 0.248 219 G C 0.784 175.516 174.900 -0.279 0.000 0.979 219 G CA 0.358 45.336 45.100 -0.202 0.000 0.650 219 G HN 0.973 nan 8.290 nan 0.000 0.529 220 A N -0.479 122.104 122.820 -0.396 0.000 2.015 220 A HA 0.515 4.835 4.320 0.001 0.000 0.219 220 A C 2.752 180.386 177.584 0.085 0.000 1.163 220 A CA 2.269 54.060 52.037 -0.411 0.000 0.646 220 A CB -0.470 18.012 19.000 -0.863 0.000 0.806 220 A HN 2.681 nan 8.150 nan 0.000 0.448 221 G N -1.007 107.868 108.800 0.124 0.000 2.496 221 G HA2 -0.119 3.842 3.960 0.001 0.000 0.243 221 G HA3 -0.119 3.842 3.960 0.001 0.000 0.243 221 G C -0.893 174.283 174.900 0.460 0.000 1.176 221 G CA 0.123 45.368 45.100 0.241 0.000 0.940 221 G HN 0.450 nan 8.290 nan 0.000 0.573 222 D N 1.814 122.434 120.400 0.366 0.000 2.419 222 D HA 0.717 5.358 4.640 0.001 0.000 0.234 222 D C -2.179 174.015 176.300 -0.177 0.000 1.014 222 D CA -0.652 53.473 54.000 0.209 0.000 0.919 222 D CB 2.158 42.998 40.800 0.066 0.000 1.366 222 D HN 0.372 nan 8.370 nan 0.000 0.490 223 P HA 0.350 nan 4.420 nan 0.000 0.283 223 P C -0.317 176.801 177.300 -0.302 0.000 1.278 223 P CA -0.659 62.062 63.100 -0.631 0.000 0.834 223 P CB 1.270 32.382 31.700 -0.980 0.000 1.150 224 V N -1.541 118.244 119.914 -0.215 0.000 6.217 224 V HA -0.199 3.921 4.120 0.001 0.000 0.342 224 V C 0.187 176.240 176.094 -0.069 0.000 0.365 224 V CA 1.020 63.210 62.300 -0.183 0.000 0.711 224 V CB -3.241 28.409 31.823 -0.290 0.000 0.353 224 V HN 0.989 nan 8.190 nan 0.000 1.453 225 D N -0.587 119.754 120.400 -0.097 0.000 2.823 225 D HA -0.005 4.636 4.640 0.001 0.000 0.248 225 D C 0.560 176.807 176.300 -0.089 0.000 1.076 225 D CA 1.335 55.309 54.000 -0.044 0.000 0.760 225 D CB -0.965 39.869 40.800 0.055 0.000 1.065 225 D HN 1.405 nan 8.370 nan 0.000 0.432 226 G N 0.998 109.724 108.800 -0.124 0.000 3.444 226 G HA2 0.531 4.491 3.960 0.001 0.000 0.315 226 G HA3 0.531 4.491 3.960 0.001 0.000 0.315 226 G C 0.194 174.899 174.900 -0.325 0.000 1.079 226 G CA 0.112 45.085 45.100 -0.212 0.000 1.500 226 G HN 0.828 nan 8.290 nan 0.000 0.518 227 V N -2.157 117.537 119.914 -0.367 0.000 2.962 227 V HA 0.735 4.855 4.120 0.001 0.000 0.313 227 V C -0.929 175.012 176.094 -0.254 0.000 1.099 227 V CA -1.907 60.208 62.300 -0.308 0.000 0.971 227 V CB 2.052 33.683 31.823 -0.320 0.000 1.028 227 V HN 0.450 nan 8.190 nan 0.000 0.430 228 W N 0.880 122.235 121.300 0.091 0.000 2.520 228 W HA 0.409 5.069 4.660 0.001 0.000 0.323 228 W C -0.441 176.103 176.519 0.041 0.000 1.062 228 W CA -0.269 57.157 57.345 0.135 0.000 1.215 228 W CB 1.888 31.508 29.460 0.267 0.000 1.340 228 W HN 0.760 nan 8.180 nan 0.000 0.516 229 D N 1.589 122.132 120.400 0.238 0.000 2.344 229 D HA 0.018 4.658 4.640 0.001 0.000 0.253 229 D C 0.974 177.050 176.300 -0.374 0.000 1.255 229 D CA 0.293 54.215 54.000 -0.130 0.000 0.894 229 D CB 0.806 41.606 40.800 -0.001 0.000 1.067 229 D HN 0.264 nan 8.370 nan 0.000 0.492 230 S N 1.355 116.574 115.700 -0.800 0.000 2.572 230 S HA -0.003 4.467 4.470 0.001 0.000 0.228 230 S C 1.477 175.566 174.600 -0.852 0.000 0.963 230 S CA -0.324 56.936 58.200 -1.567 0.000 0.939 230 S CB 0.146 62.153 63.200 -1.989 0.000 0.804 230 S HN 0.359 nan 8.310 nan 0.000 0.480 231 T N 2.729 116.957 114.554 -0.544 0.000 2.699 231 T HA -0.113 4.237 4.350 0.001 0.000 0.268 231 T C 0.985 175.570 174.700 -0.192 0.000 1.036 231 T CA 1.646 63.520 62.100 -0.378 0.000 1.147 231 T CB -0.267 68.431 68.868 -0.283 0.000 0.862 231 T HN 0.615 nan 8.240 nan 0.000 0.446 232 E N -0.848 119.295 120.200 -0.095 0.000 2.736 232 E HA 0.095 4.446 4.350 0.001 0.000 0.208 232 E C 0.528 177.235 176.600 0.178 0.000 0.996 232 E CA -0.447 55.972 56.400 0.032 0.000 1.104 232 E CB 0.233 29.945 29.700 0.020 0.000 1.111 232 E HN 0.428 nan 8.360 nan 0.000 0.455 233 W N 0.246 121.530 121.300 -0.026 0.000 2.378 233 W HA -0.031 4.630 4.660 0.001 0.000 0.313 233 W C 0.808 177.359 176.519 0.053 0.000 1.197 233 W CA 0.403 57.743 57.345 -0.007 0.000 1.304 233 W CB -0.326 29.107 29.460 -0.046 0.000 1.148 233 W HN 0.059 nan 8.180 nan 0.000 0.494 234 F N 3.376 123.412 119.950 0.144 0.000 2.411 234 F HA 0.430 4.957 4.527 0.000 0.000 0.352 234 F C -1.999 173.825 175.800 0.040 0.000 1.123 234 F CA -3.696 54.329 58.000 0.042 0.000 1.044 234 F CB 0.641 39.605 39.000 -0.061 0.000 1.135 234 F HN -0.342 nan 8.300 nan 0.000 0.461 235 P HA 0.120 nan 4.420 nan 0.000 0.276 235 P C 0.798 177.722 177.300 -0.627 0.000 1.235 235 P CA -0.059 62.812 63.100 -0.381 0.000 0.772 235 P CB 1.382 32.950 31.700 -0.219 0.000 0.871 236 L N 2.293 123.367 121.223 -0.249 0.000 2.191 236 L HA -0.195 4.145 4.340 0.001 0.000 0.212 236 L C 2.523 179.310 176.870 -0.138 0.000 1.103 236 L CA 1.962 56.723 54.840 -0.132 0.000 0.769 236 L CB -0.795 41.279 42.059 0.026 0.000 0.908 236 L HN 0.463 nan 8.230 nan 0.000 0.438 237 S N -0.304 115.314 115.700 -0.137 0.000 2.469 237 S HA -0.111 4.360 4.470 0.001 0.000 0.238 237 S C 1.981 176.501 174.600 -0.134 0.000 0.998 237 S CA 0.871 59.028 58.200 -0.071 0.000 0.957 237 S CB -0.717 62.480 63.200 -0.005 0.000 0.764 237 S HN 0.449 nan 8.310 nan 0.000 0.514 238 G N 0.571 109.133 108.800 -0.396 0.000 2.534 238 G HA2 0.260 4.220 3.960 0.001 0.000 0.217 238 G HA3 0.260 4.220 3.960 0.001 0.000 0.217 238 G C 1.385 176.224 174.900 -0.103 0.000 1.128 238 G CA 0.522 45.210 45.100 -0.687 0.000 0.784 238 G HN 0.761 nan 8.290 nan 0.000 0.542 239 A N -0.529 122.369 122.820 0.131 0.000 1.973 239 A HA 0.239 4.559 4.320 0.001 0.000 0.210 239 A C 1.338 179.046 177.584 0.207 0.000 1.200 239 A CA 1.063 53.310 52.037 0.350 0.000 0.707 239 A CB -0.126 19.118 19.000 0.407 0.000 0.862 239 A HN 0.379 nan 8.150 nan 0.000 0.461 240 N N -1.405 117.364 118.700 0.114 0.000 1.324 240 N HA -0.314 4.427 4.740 0.001 0.000 0.111 240 N C 1.108 176.736 175.510 0.197 0.000 0.839 240 N CA 1.360 54.508 53.050 0.164 0.000 0.856 240 N CB -1.339 37.200 38.487 0.086 0.000 0.936 240 N HN 0.706 nan 8.380 nan 0.000 0.657 241 A N -0.127 122.748 122.820 0.091 0.000 2.225 241 A HA 0.278 4.598 4.320 0.001 0.000 0.215 241 A C 2.088 179.704 177.584 0.052 0.000 1.164 241 A CA 2.286 54.242 52.037 -0.135 0.000 0.710 241 A CB -0.698 18.040 19.000 -0.437 0.000 0.780 241 A HN 0.835 nan 8.150 nan 0.000 0.473 242 A N -1.624 121.290 122.820 0.156 0.000 2.178 242 A HA 0.460 4.780 4.320 0.001 0.000 0.211 242 A C 1.378 179.030 177.584 0.114 0.000 1.157 242 A CA 1.063 53.193 52.037 0.154 0.000 0.780 242 A CB -0.068 19.109 19.000 0.295 0.000 0.828 242 A HN 1.254 nan 8.150 nan 0.000 0.476 243 G N 0.260 109.147 108.800 0.144 0.000 5.413 243 G HA2 0.207 4.167 3.960 0.001 0.000 0.206 243 G HA3 0.207 4.167 3.960 0.001 0.000 0.206 243 G C -0.090 174.897 174.900 0.144 0.000 0.794 243 G CA 0.550 45.731 45.100 0.135 0.000 0.751 243 G HN 0.333 nan 8.290 nan 0.000 0.334 244 D N -0.251 120.231 120.400 0.137 0.000 2.369 244 D HA 0.177 4.817 4.640 0.001 0.000 0.211 244 D C 1.024 177.367 176.300 0.073 0.000 1.077 244 D CA -0.342 53.732 54.000 0.124 0.000 0.842 244 D CB 0.071 40.961 40.800 0.150 0.000 0.947 244 D HN 0.337 nan 8.370 nan 0.000 0.509 245 M N 0.600 120.222 119.600 0.037 0.000 2.242 245 M HA 0.292 4.772 4.480 0.001 0.000 0.344 245 M C -0.571 175.675 176.300 -0.091 0.000 1.140 245 M CA -0.414 54.861 55.300 -0.042 0.000 1.160 245 M CB 2.221 34.728 32.600 -0.156 0.000 1.491 245 M HN -0.271 nan 8.290 nan 0.000 0.459 246 V N 1.635 121.469 119.914 -0.135 0.000 2.495 246 V HA 0.675 4.795 4.120 0.001 0.000 0.298 246 V C -0.335 175.721 176.094 -0.063 0.000 1.031 246 V CA -0.306 61.898 62.300 -0.160 0.000 0.871 246 V CB 1.715 33.245 31.823 -0.489 0.000 0.988 246 V HN 0.959 nan 8.190 nan 0.000 0.432 247 S N 2.274 117.968 115.700 -0.010 0.000 2.672 247 S HA 0.753 5.223 4.470 0.001 0.000 0.271 247 S C -0.558 174.103 174.600 0.101 0.000 1.171 247 S CA -0.028 58.154 58.200 -0.029 0.000 0.817 247 S CB 2.290 65.402 63.200 -0.146 0.000 1.150 247 S HN 1.021 nan 8.310 nan 0.000 0.478 248 T N 0.386 114.983 114.554 0.071 0.000 2.895 248 T HA 0.587 4.937 4.350 0.001 0.000 0.283 248 T C -2.345 172.400 174.700 0.076 0.000 1.014 248 T CA -1.816 60.364 62.100 0.133 0.000 1.037 248 T CB 1.196 70.124 68.868 0.101 0.000 1.006 248 T HN 0.258 nan 8.240 nan 0.000 0.468 249 P HA -0.167 nan 4.420 nan 0.000 0.216 249 P C 1.653 178.980 177.300 0.044 0.000 1.154 249 P CA 1.055 64.165 63.100 0.017 0.000 0.865 249 P CB 0.080 31.770 31.700 -0.017 0.000 0.789 250 R N -0.218 120.311 120.500 0.047 0.000 2.094 250 R HA -0.195 4.145 4.340 0.001 0.000 0.239 250 R C 1.787 178.118 176.300 0.051 0.000 1.137 250 R CA 2.197 58.322 56.100 0.042 0.000 0.943 250 R CB -0.790 29.529 30.300 0.032 0.000 0.850 250 R HN 0.073 nan 8.270 nan 0.000 0.433 251 D N -0.029 120.394 120.400 0.038 0.000 2.144 251 D HA -0.111 4.530 4.640 0.001 0.000 0.200 251 D C 1.840 178.217 176.300 0.128 0.000 0.978 251 D CA 0.875 54.894 54.000 0.032 0.000 0.833 251 D CB -0.031 40.724 40.800 -0.076 0.000 0.961 251 D HN 0.193 nan 8.370 nan 0.000 0.470 252 I N 0.483 121.142 120.570 0.149 0.000 2.163 252 I HA -0.196 3.974 4.170 0.001 0.000 0.243 252 I C 2.415 178.696 176.117 0.273 0.000 1.085 252 I CA 0.754 62.222 61.300 0.281 0.000 1.347 252 I CB -1.087 37.040 38.000 0.213 0.000 1.044 252 I HN -0.044 nan 8.210 nan 0.000 0.408 253 V N 1.113 121.119 119.914 0.154 0.000 2.407 253 V HA -0.262 3.858 4.120 0.001 0.000 0.248 253 V C 2.507 178.666 176.094 0.109 0.000 1.055 253 V CA 1.534 63.896 62.300 0.104 0.000 1.049 253 V CB -0.748 31.108 31.823 0.054 0.000 0.662 253 V HN 0.418 nan 8.190 nan 0.000 0.455 254 K N -0.453 120.025 120.400 0.130 0.000 2.032 254 K HA -0.234 4.086 4.320 0.001 0.000 0.209 254 K C 2.120 178.827 176.600 0.180 0.000 1.048 254 K CA 2.092 58.458 56.287 0.131 0.000 0.927 254 K CB -0.454 32.123 32.500 0.128 0.000 0.712 254 K HN 0.468 nan 8.250 nan 0.000 0.441 255 F N 2.110 122.133 119.950 0.122 0.000 2.095 255 F HA -0.182 4.346 4.527 0.001 0.000 0.298 255 F C 1.792 177.628 175.800 0.061 0.000 1.104 255 F CA 1.351 59.416 58.000 0.109 0.000 1.232 255 F CB -0.330 38.764 39.000 0.157 0.000 0.987 255 F HN -0.104 nan 8.300 nan 0.000 0.475 256 L N 0.143 121.310 121.223 -0.094 0.000 2.017 256 L HA -0.262 4.078 4.340 0.001 0.000 0.208 256 L C 2.390 179.263 176.870 0.005 0.000 1.073 256 L CA 1.411 56.187 54.840 -0.107 0.000 0.745 256 L CB -1.030 41.063 42.059 0.057 0.000 0.894 256 L HN 0.159 nan 8.230 nan 0.000 0.432 257 N N 0.435 119.138 118.700 0.006 0.000 2.036 257 N HA -0.204 4.536 4.740 0.001 0.000 0.195 257 N C 1.857 177.369 175.510 0.004 0.000 1.037 257 N CA 1.825 54.886 53.050 0.018 0.000 0.855 257 N CB -0.448 38.051 38.487 0.019 0.000 1.033 257 N HN 0.341 nan 8.380 nan 0.000 0.423 258 A N 0.660 123.461 122.820 -0.033 0.000 1.902 258 A HA -0.105 4.215 4.320 0.001 0.000 0.217 258 A C 2.271 179.782 177.584 -0.122 0.000 1.181 258 A CA 1.122 53.130 52.037 -0.047 0.000 0.623 258 A CB -0.747 18.251 19.000 -0.005 0.000 0.818 258 A HN 0.271 nan 8.150 nan 0.000 0.443 259 L N -1.527 119.523 121.223 -0.289 0.000 2.005 259 L HA -0.022 4.319 4.340 0.001 0.000 0.207 259 L C 2.164 178.833 176.870 -0.334 0.000 1.072 259 L CA 2.011 56.593 54.840 -0.431 0.000 0.744 259 L CB -0.674 40.872 42.059 -0.854 0.000 0.895 259 L HN 0.357 nan 8.230 nan 0.000 0.433 260 F N -0.355 119.480 119.950 -0.193 0.000 2.407 260 F HA -0.091 4.437 4.527 0.001 0.000 0.299 260 F C 1.923 177.678 175.800 -0.075 0.000 1.097 260 F CA 0.800 58.731 58.000 -0.115 0.000 1.422 260 F CB -0.392 38.546 39.000 -0.104 0.000 1.067 260 F HN 0.156 nan 8.300 nan 0.000 0.539 261 D N -0.362 120.084 120.400 0.077 0.000 2.363 261 D HA 0.082 4.723 4.640 0.001 0.000 0.220 261 D C 2.002 178.306 176.300 0.007 0.000 0.994 261 D CA 1.111 55.133 54.000 0.038 0.000 0.890 261 D CB -0.137 40.678 40.800 0.025 0.000 0.906 261 D HN 0.312 nan 8.370 nan 0.000 0.530 262 G N 1.135 109.920 108.800 -0.025 0.000 2.132 262 G HA2 -0.345 3.615 3.960 0.001 0.000 0.234 262 G HA3 -0.345 3.615 3.960 0.001 0.000 0.234 262 G C 1.075 175.960 174.900 -0.026 0.000 0.989 262 G CA -0.002 45.079 45.100 -0.031 0.000 0.676 262 G HN 0.344 nan 8.290 nan 0.000 0.522 263 R N -0.727 119.755 120.500 -0.029 0.000 2.300 263 R HA 0.418 4.759 4.340 0.001 0.000 0.199 263 R C 2.118 178.414 176.300 -0.008 0.000 0.920 263 R CA 0.872 56.965 56.100 -0.011 0.000 1.046 263 R CB 0.090 30.390 30.300 -0.000 0.000 0.984 263 R HN 0.584 nan 8.270 nan 0.000 0.493 264 I N -0.481 120.072 120.570 -0.027 0.000 3.345 264 I HA 0.085 4.256 4.170 0.001 0.000 0.258 264 I C 0.512 176.626 176.117 -0.005 0.000 1.134 264 I CA 0.090 61.388 61.300 -0.004 0.000 1.457 264 I CB 0.221 38.228 38.000 0.013 0.000 1.425 264 I HN -0.109 nan 8.210 nan 0.000 0.461 265 L N 2.063 123.266 121.223 -0.034 0.000 2.334 265 L HA 0.284 4.624 4.340 0.001 0.000 0.275 265 L C -0.600 176.252 176.870 -0.030 0.000 1.036 265 L CA -0.924 53.900 54.840 -0.026 0.000 0.807 265 L CB 0.971 42.996 42.059 -0.058 0.000 1.231 265 L HN 0.255 nan 8.230 nan 0.000 0.438 266 D N 0.584 120.978 120.400 -0.010 0.000 2.384 266 D HA -0.005 4.635 4.640 0.001 0.000 0.244 266 D C 0.605 176.898 176.300 -0.012 0.000 1.251 266 D CA -0.249 53.747 54.000 -0.008 0.000 0.961 266 D CB 0.641 41.443 40.800 0.002 0.000 1.116 266 D HN 0.480 nan 8.370 nan 0.000 0.484 267 Q N -0.869 118.928 119.800 -0.006 0.000 2.084 267 Q HA -0.189 4.151 4.340 0.001 0.000 0.202 267 Q C 1.676 177.701 176.000 0.042 0.000 0.978 267 Q CA 1.424 57.232 55.803 0.009 0.000 0.844 267 Q CB -0.163 28.573 28.738 -0.002 0.000 0.898 267 Q HN 0.379 nan 8.270 nan 0.000 0.426 268 K N 1.144 121.552 120.400 0.014 0.000 2.026 268 K HA -0.159 4.162 4.320 0.001 0.000 0.208 268 K C 1.845 178.515 176.600 0.117 0.000 1.048 268 K CA 1.484 57.794 56.287 0.038 0.000 0.929 268 K CB 0.002 32.491 32.500 -0.018 0.000 0.713 268 K HN -0.054 nan 8.250 nan 0.000 0.439 269 R N -0.129 120.384 120.500 0.022 0.000 2.115 269 R HA 0.052 4.393 4.340 0.001 0.000 0.226 269 R C 2.065 178.230 176.300 -0.226 0.000 1.100 269 R CA 0.794 56.831 56.100 -0.104 0.000 0.980 269 R CB -0.669 29.589 30.300 -0.070 0.000 0.875 269 R HN 0.199 nan 8.270 nan 0.000 0.445 270 L N -0.556 120.601 121.223 -0.111 0.000 2.046 270 L HA -0.111 4.229 4.340 0.001 0.000 0.208 270 L C 1.857 178.690 176.870 -0.063 0.000 1.077 270 L CA 1.673 56.427 54.840 -0.144 0.000 0.747 270 L CB -0.699 41.291 42.059 -0.115 0.000 0.896 270 L HN 0.310 nan 8.230 nan 0.000 0.432 271 W N 0.701 121.923 121.300 -0.130 0.000 2.335 271 W HA -0.200 4.460 4.660 0.000 0.000 0.311 271 W C 2.335 178.818 176.519 -0.059 0.000 1.213 271 W CA 1.889 59.192 57.345 -0.071 0.000 1.274 271 W CB -0.011 29.422 29.460 -0.045 0.000 1.148 271 W HN 0.149 nan 8.180 nan 0.000 0.498 272 E N 0.083 120.337 120.200 0.089 0.000 2.070 272 E HA -0.325 4.025 4.350 0.001 0.000 0.197 272 E C 2.112 178.635 176.600 -0.127 0.000 1.004 272 E CA 2.098 58.414 56.400 -0.140 0.000 0.805 272 E CB -1.009 28.628 29.700 -0.104 0.000 0.744 272 E HN 0.482 nan 8.360 nan 0.000 0.451 273 M N 0.487 119.955 119.600 -0.220 0.000 2.086 273 M HA -0.201 4.279 4.480 0.001 0.000 0.261 273 M C 2.165 178.439 176.300 -0.045 0.000 1.067 273 M CA 1.967 57.213 55.300 -0.090 0.000 1.116 273 M CB 0.083 32.553 32.600 -0.216 0.000 1.348 273 M HN -0.018 nan 8.290 nan 0.000 0.407 274 K N -2.852 117.470 120.400 -0.130 0.000 2.399 274 K HA 0.081 4.401 4.320 0.001 0.000 0.196 274 K C 0.464 176.980 176.600 -0.141 0.000 1.103 274 K CA 0.539 56.780 56.287 -0.077 0.000 0.986 274 K CB 0.417 32.901 32.500 -0.026 0.000 0.952 274 K HN 0.157 nan 8.250 nan 0.000 0.541 275 D N 0.505 120.687 120.400 -0.364 0.000 2.479 275 D HA -0.002 4.638 4.640 0.001 0.000 0.221 275 D C -0.256 175.617 176.300 -0.712 0.000 1.104 275 D CA 0.111 53.820 54.000 -0.485 0.000 0.849 275 D CB 0.259 40.781 40.800 -0.464 0.000 1.072 275 D HN 0.062 nan 8.370 nan 0.000 0.502 276 N N 1.887 120.027 118.700 -0.933 0.000 2.968 276 N HA 0.121 4.861 4.740 0.001 0.000 0.271 276 N C -0.339 175.056 175.510 -0.191 0.000 1.174 276 N CA -0.059 52.581 53.050 -0.682 0.000 1.096 276 N CB -0.504 37.510 38.487 -0.789 0.000 1.403 276 N HN 0.256 nan 8.380 nan 0.000 0.522 277 I N -1.736 118.747 120.570 -0.145 0.000 2.750 277 I HA 0.643 4.813 4.170 0.001 0.000 0.308 277 I C -0.353 175.751 176.117 -0.022 0.000 1.016 277 I CA -0.837 60.420 61.300 -0.071 0.000 1.098 277 I CB 1.963 39.928 38.000 -0.059 0.000 1.279 277 I HN -0.085 nan 8.210 nan 0.000 0.454 278 K N 2.795 123.192 120.400 -0.006 0.000 2.509 278 K HA 0.551 4.871 4.320 0.001 0.000 0.266 278 K C -2.785 173.827 176.600 0.020 0.000 0.987 278 K CA -1.762 54.536 56.287 0.019 0.000 0.868 278 K CB 2.162 34.691 32.500 0.048 0.000 1.421 278 K HN 0.352 nan 8.250 nan 0.000 0.444 279 P HA 0.008 nan 4.420 nan 0.000 0.266 279 P C -1.467 175.860 177.300 0.045 0.000 1.193 279 P CA 0.141 63.257 63.100 0.026 0.000 0.770 279 P CB 0.585 32.297 31.700 0.020 0.000 0.836 280 A N 2.347 125.202 122.820 0.058 0.000 2.549 280 A HA 0.721 5.041 4.320 0.001 0.000 0.297 280 A C -1.855 175.810 177.584 0.135 0.000 1.061 280 A CA -0.418 51.672 52.037 0.088 0.000 0.690 280 A CB 1.080 20.120 19.000 0.068 0.000 1.287 280 A HN 0.417 nan 8.150 nan 0.000 0.402 281 F N 1.176 121.107 119.950 -0.031 0.000 2.529 281 F HA 0.782 5.309 4.527 0.000 0.000 0.320 281 F C -1.666 174.091 175.800 -0.073 0.000 1.118 281 F CA -1.444 56.516 58.000 -0.067 0.000 0.915 281 F CB 1.604 40.546 39.000 -0.096 0.000 1.161 281 F HN 0.528 nan 8.300 nan 0.000 0.445 282 F N 8.400 127.751 119.950 -0.999 0.000 2.562 282 F HA 0.561 5.089 4.527 0.001 0.000 0.319 282 F C -2.501 172.472 175.800 -1.378 0.000 1.154 282 F CA -2.391 54.943 58.000 -1.111 0.000 0.931 282 F CB 1.813 40.356 39.000 -0.762 0.000 1.198 282 F HN 0.300 nan 8.300 nan 0.000 0.444 283 P HA 0.207 nan 4.420 nan 0.000 0.268 283 P C 0.531 177.535 177.300 -0.493 0.000 1.204 283 P CA 1.214 63.645 63.100 -1.116 0.000 0.768 283 P CB 1.157 32.223 31.700 -1.055 0.000 0.842 284 G N 1.869 110.546 108.800 -0.205 0.000 2.225 284 G HA2 -0.258 3.702 3.960 0.001 0.000 0.254 284 G HA3 -0.258 3.702 3.960 0.001 0.000 0.254 284 G C 0.409 175.278 174.900 -0.051 0.000 0.988 284 G CA 0.490 45.568 45.100 -0.037 0.000 0.625 284 G HN 0.905 nan 8.290 nan 0.000 0.527 285 S N -0.442 115.190 115.700 -0.114 0.000 2.738 285 S HA 0.630 5.101 4.470 0.001 0.000 0.284 285 S C 0.683 175.191 174.600 -0.154 0.000 1.146 285 S CA 0.193 58.318 58.200 -0.126 0.000 0.997 285 S CB 1.294 64.392 63.200 -0.169 0.000 1.081 285 S HN 0.104 nan 8.310 nan 0.000 0.553 286 N N 0.323 118.898 118.700 -0.209 0.000 2.251 286 N HA 0.227 4.967 4.740 0.001 0.000 0.217 286 N C -0.703 174.660 175.510 -0.246 0.000 1.124 286 N CA -0.014 52.865 53.050 -0.285 0.000 0.843 286 N CB 0.218 38.358 38.487 -0.579 0.000 1.024 286 N HN 0.544 nan 8.380 nan 0.000 0.501 287 T N 0.229 114.669 114.554 -0.189 0.000 2.870 287 T HA 0.145 4.496 4.350 0.001 0.000 0.300 287 T C 1.619 176.272 174.700 -0.079 0.000 0.989 287 T CA -0.142 61.871 62.100 -0.145 0.000 1.139 287 T CB 1.268 70.044 68.868 -0.152 0.000 0.920 287 T HN 0.119 nan 8.240 nan 0.000 0.537 288 V N 0.002 119.880 119.914 -0.060 0.000 3.562 288 V HA 0.801 4.921 4.120 0.001 0.000 0.270 288 V C 0.382 176.475 176.094 -0.001 0.000 1.418 288 V CA 0.344 62.631 62.300 -0.021 0.000 1.033 288 V CB -0.460 31.340 31.823 -0.037 0.000 0.820 288 V HN 0.982 nan 8.190 nan 0.000 0.441 289 A N 1.345 124.159 122.820 -0.009 0.000 2.586 289 A HA 0.761 5.081 4.320 0.001 0.000 0.290 289 A C -1.430 176.156 177.584 0.005 0.000 1.086 289 A CA -0.109 51.930 52.037 0.003 0.000 0.665 289 A CB 1.247 20.244 19.000 -0.005 0.000 1.279 289 A HN 0.705 nan 8.150 nan 0.000 0.423 290 N N -0.028 118.682 118.700 0.016 0.000 2.484 290 N HA 0.578 5.318 4.740 0.001 0.000 0.269 290 N C 0.028 175.526 175.510 -0.020 0.000 1.237 290 N CA -0.013 53.054 53.050 0.029 0.000 0.838 290 N CB 1.600 40.152 38.487 0.109 0.000 1.593 290 N HN 0.962 nan 8.380 nan 0.000 0.485 291 G N 0.028 108.816 108.800 -0.020 0.000 3.387 291 G HA2 0.218 4.178 3.960 0.001 0.000 0.195 291 G HA3 0.218 4.178 3.960 0.001 0.000 0.195 291 G C -0.739 174.027 174.900 -0.223 0.000 1.853 291 G CA 0.044 45.098 45.100 -0.076 0.000 0.879 291 G HN 0.668 nan 8.290 nan 0.000 0.651 292 H N -0.924 118.198 119.070 0.087 0.000 2.386 292 H HA 0.502 5.058 4.556 0.000 0.000 0.232 292 H C 0.692 176.189 175.328 0.282 0.000 1.416 292 H CA 0.135 56.283 56.048 0.168 0.000 1.285 292 H CB 0.701 30.595 29.762 0.221 0.000 1.625 292 H HN 0.845 nan 8.280 nan 0.000 0.521 293 G N 0.494 109.495 108.800 0.335 0.000 2.273 293 G HA2 -0.151 3.809 3.960 0.001 0.000 0.162 293 G HA3 -0.151 3.809 3.960 0.001 0.000 0.162 293 G C -0.437 174.671 174.900 0.346 0.000 1.006 293 G CA -0.569 44.766 45.100 0.391 0.000 0.704 293 G HN 0.324 nan 8.290 nan 0.000 0.487 294 L N 1.247 122.630 121.223 0.267 0.000 2.408 294 L HA 0.702 5.043 4.340 0.001 0.000 0.268 294 L C 0.157 177.104 176.870 0.128 0.000 0.986 294 L CA -1.077 53.902 54.840 0.232 0.000 0.820 294 L CB 2.138 44.305 42.059 0.179 0.000 1.303 294 L HN -0.026 nan 8.230 nan 0.000 0.411 295 L N 3.139 124.373 121.223 0.019 0.000 2.343 295 L HA 0.452 4.792 4.340 0.001 0.000 0.275 295 L C -0.856 176.000 176.870 -0.022 0.000 1.056 295 L CA -0.807 53.987 54.840 -0.077 0.000 0.804 295 L CB 1.368 43.254 42.059 -0.288 0.000 1.203 295 L HN 0.330 nan 8.230 nan 0.000 0.440 296 L N 3.809 125.017 121.223 -0.026 0.000 2.265 296 L HA 0.480 4.820 4.340 0.001 0.000 0.289 296 L C -0.207 176.628 176.870 -0.059 0.000 1.033 296 L CA 0.365 55.194 54.840 -0.018 0.000 0.814 296 L CB 1.137 43.190 42.059 -0.010 0.000 1.203 296 L HN 0.514 nan 8.230 nan 0.000 0.423 297 M N 3.944 123.509 119.600 -0.059 0.000 2.253 297 M HA 0.507 4.987 4.480 0.001 0.000 0.314 297 M C -0.399 175.741 176.300 -0.267 0.000 1.019 297 M CA -0.653 54.549 55.300 -0.163 0.000 0.932 297 M CB 2.018 34.558 32.600 -0.100 0.000 1.606 297 M HN 0.347 nan 8.290 nan 0.000 0.430 298 R N 2.347 122.602 120.500 -0.408 0.000 2.297 298 R HA 0.361 4.701 4.340 0.001 0.000 0.308 298 R C -1.520 174.398 176.300 -0.636 0.000 1.029 298 R CA -0.183 55.708 56.100 -0.349 0.000 0.929 298 R CB 0.806 30.984 30.300 -0.204 0.000 1.046 298 R HN 0.612 nan 8.270 nan 0.000 0.461 299 Y N 1.201 121.472 120.300 -0.049 0.000 2.662 299 Y HA 0.210 4.761 4.550 0.001 0.000 0.358 299 Y C 1.164 177.038 175.900 -0.043 0.000 1.041 299 Y CA 0.185 58.255 58.100 -0.051 0.000 1.184 299 Y CB 1.205 39.628 38.460 -0.063 0.000 1.114 299 Y HN 1.039 nan 8.280 nan 0.000 0.650 300 G N 1.320 110.141 108.800 0.035 0.000 2.602 300 G HA2 -0.406 3.554 3.960 0.001 0.000 0.310 300 G HA3 -0.406 3.554 3.960 0.001 0.000 0.310 300 G C 1.328 176.235 174.900 0.010 0.000 1.183 300 G CA 0.829 45.940 45.100 0.018 0.000 0.979 300 G HN 0.821 nan 8.290 nan 0.000 0.545 301 S N -0.126 115.583 115.700 0.015 0.000 2.593 301 S HA 0.564 5.034 4.470 0.001 0.000 0.217 301 S C 0.892 175.501 174.600 0.014 0.000 0.966 301 S CA 1.109 59.313 58.200 0.008 0.000 0.914 301 S CB 0.360 63.561 63.200 0.002 0.000 0.776 301 S HN 0.901 nan 8.310 nan 0.000 0.523 302 S N 1.408 117.131 115.700 0.038 0.000 2.638 302 S HA 0.565 5.035 4.470 0.001 0.000 0.298 302 S C -0.608 174.042 174.600 0.083 0.000 1.111 302 S CA -0.739 57.489 58.200 0.048 0.000 1.027 302 S CB 1.674 64.899 63.200 0.041 0.000 1.064 302 S HN 0.497 nan 8.310 nan 0.000 0.525 303 E N 1.611 121.850 120.200 0.066 0.000 2.274 303 E HA 0.358 4.708 4.350 0.001 0.000 0.269 303 E C -1.600 175.040 176.600 0.065 0.000 0.891 303 E CA -0.381 56.061 56.400 0.070 0.000 0.784 303 E CB 0.965 30.673 29.700 0.013 0.000 1.225 303 E HN 0.490 nan 8.360 nan 0.000 0.412 304 L N 4.002 125.307 121.223 0.136 0.000 2.292 304 L HA 0.425 4.766 4.340 0.001 0.000 0.284 304 L C 0.076 176.968 176.870 0.037 0.000 1.065 304 L CA -0.562 54.313 54.840 0.058 0.000 0.806 304 L CB 1.105 43.223 42.059 0.099 0.000 1.175 304 L HN 0.319 nan 8.230 nan 0.000 0.431 305 K N 2.974 123.373 120.400 -0.002 0.000 2.281 305 K HA 0.583 4.904 4.320 0.001 0.000 0.272 305 K C 0.102 176.800 176.600 0.164 0.000 1.048 305 K CA -0.208 56.138 56.287 0.099 0.000 0.898 305 K CB 1.897 34.520 32.500 0.204 0.000 1.128 305 K HN 0.894 nan 8.250 nan 0.000 0.460 306 G N 1.686 110.584 108.800 0.163 0.000 2.825 306 G HA2 0.125 4.086 3.960 0.001 0.000 0.100 306 G HA3 0.125 4.086 3.960 0.001 0.000 0.100 306 G C -1.278 173.747 174.900 0.208 0.000 1.195 306 G CA -0.207 45.014 45.100 0.202 0.000 1.317 306 G HN 0.543 nan 8.290 nan 0.000 0.632 307 H N -1.048 118.057 119.070 0.058 0.000 3.005 307 H HA 0.465 5.021 4.556 0.000 0.000 0.311 307 H C -1.424 173.873 175.328 -0.052 0.000 1.366 307 H CA -0.166 55.887 56.048 0.008 0.000 1.210 307 H CB 1.810 31.598 29.762 0.043 0.000 1.894 307 H HN 0.729 nan 8.280 nan 0.000 0.520 308 L N 0.103 121.298 121.223 -0.048 0.000 2.334 308 L HA 0.928 5.269 4.340 0.001 0.000 0.272 308 L C 0.126 176.989 176.870 -0.012 0.000 1.020 308 L CA -0.545 54.232 54.840 -0.105 0.000 0.812 308 L CB 1.850 43.700 42.059 -0.349 0.000 1.264 308 L HN 0.607 nan 8.230 nan 0.000 0.439 309 G N 0.910 109.696 108.800 -0.024 0.000 2.643 309 G HA2 0.654 4.614 3.960 0.001 0.000 0.305 309 G HA3 0.654 4.614 3.960 0.001 0.000 0.305 309 G C -1.528 173.405 174.900 0.056 0.000 1.387 309 G CA -0.499 44.618 45.100 0.030 0.000 0.982 309 G HN 0.629 nan 8.290 nan 0.000 0.501 310 Q N 1.362 121.239 119.800 0.128 0.000 2.294 310 Q HA 0.541 4.882 4.340 0.001 0.000 0.264 310 Q C -1.289 174.920 176.000 0.348 0.000 0.992 310 Q CA -0.428 55.534 55.803 0.265 0.000 0.747 310 Q CB 2.914 31.837 28.738 0.308 0.000 1.262 310 Q HN 0.556 nan 8.270 nan 0.000 0.452 311 I N 2.344 123.050 120.570 0.226 0.000 2.802 311 I HA 0.442 4.613 4.170 0.001 0.000 0.298 311 I C -2.585 173.443 176.117 -0.149 0.000 1.176 311 I CA -2.730 58.542 61.300 -0.047 0.000 1.025 311 I CB 2.909 40.911 38.000 0.003 0.000 1.243 311 I HN 0.341 nan 8.210 nan 0.000 0.424 312 P HA 0.122 nan 4.420 nan 0.000 0.257 312 P C 0.438 177.579 177.300 -0.265 0.000 1.189 312 P CA 1.134 64.001 63.100 -0.388 0.000 0.780 312 P CB 0.211 31.632 31.700 -0.465 0.000 0.772 313 G N 2.216 110.982 108.800 -0.057 0.000 2.225 313 G HA2 -0.228 3.732 3.960 0.001 0.000 0.254 313 G HA3 -0.228 3.732 3.960 0.001 0.000 0.254 313 G C -0.015 175.028 174.900 0.238 0.000 0.988 313 G CA -0.296 44.804 45.100 -0.001 0.000 0.625 313 G HN 0.668 nan 8.290 nan 0.000 0.527 314 H N 0.534 119.659 119.070 0.092 0.000 2.589 314 H HA 0.549 5.105 4.556 0.001 0.000 0.335 314 H C -0.852 174.555 175.328 0.132 0.000 1.019 314 H CA -0.304 55.842 56.048 0.163 0.000 1.213 314 H CB 1.682 31.560 29.762 0.192 0.000 1.472 314 H HN 0.123 nan 8.280 nan 0.000 0.508 315 T N 2.772 117.445 114.554 0.198 0.000 2.847 315 T HA 0.265 4.615 4.350 0.001 0.000 0.291 315 T C -0.461 174.236 174.700 -0.005 0.000 0.998 315 T CA -0.895 61.267 62.100 0.105 0.000 0.967 315 T CB 1.006 69.940 68.868 0.110 0.000 0.954 315 T HN 0.628 nan 8.240 nan 0.000 0.441 316 S N 3.314 119.003 115.700 -0.019 0.000 2.542 316 S HA 0.866 5.336 4.470 0.001 0.000 0.293 316 S C -0.965 173.601 174.600 -0.058 0.000 1.089 316 S CA -0.955 57.200 58.200 -0.075 0.000 0.961 316 S CB 1.389 64.551 63.200 -0.064 0.000 1.062 316 S HN 0.488 nan 8.310 nan 0.000 0.483 317 I N 2.971 123.495 120.570 -0.077 0.000 2.534 317 I HA 0.455 4.626 4.170 0.001 0.000 0.288 317 I C -0.451 175.638 176.117 -0.046 0.000 1.077 317 I CA -0.692 60.575 61.300 -0.055 0.000 1.051 317 I CB 1.714 39.665 38.000 -0.081 0.000 1.234 317 I HN 1.051 nan 8.210 nan 0.000 0.425 318 M N 5.024 124.630 119.600 0.011 0.000 2.518 318 M HA 0.971 5.452 4.480 0.001 0.000 0.300 318 M C -0.710 175.617 176.300 0.046 0.000 1.175 318 M CA -0.220 55.100 55.300 0.034 0.000 0.890 318 M CB 3.267 35.929 32.600 0.104 0.000 1.710 318 M HN 0.600 nan 8.290 nan 0.000 0.453 319 G N 1.637 110.440 108.800 0.005 0.000 2.338 319 G HA2 0.404 4.364 3.960 0.001 0.000 0.295 319 G HA3 0.404 4.364 3.960 0.001 0.000 0.295 319 G C -2.498 172.295 174.900 -0.178 0.000 1.461 319 G CA -1.179 43.902 45.100 -0.033 0.000 0.817 319 G HN 1.038 nan 8.290 nan 0.000 0.556 320 R N 0.313 120.569 120.500 -0.407 0.000 2.460 320 R HA 0.530 4.871 4.340 0.001 0.000 0.303 320 R C -1.258 174.800 176.300 -0.404 0.000 0.968 320 R CA -0.665 55.085 56.100 -0.584 0.000 0.889 320 R CB 1.573 31.080 30.300 -1.321 0.000 1.123 320 R HN 0.388 nan 8.270 nan 0.000 0.455 321 D N 3.337 123.578 120.400 -0.266 0.000 2.365 321 D HA 0.038 4.678 4.640 0.001 0.000 0.237 321 D C 0.126 176.323 176.300 -0.172 0.000 1.190 321 D CA 0.085 53.984 54.000 -0.169 0.000 0.867 321 D CB 1.205 41.936 40.800 -0.114 0.000 1.050 321 D HN 0.653 nan 8.370 nan 0.000 0.491 322 E N 2.388 122.499 120.200 -0.148 0.000 2.274 322 E HA -0.110 4.240 4.350 0.001 0.000 0.194 322 E C 1.148 177.716 176.600 -0.054 0.000 0.996 322 E CA 0.553 56.888 56.400 -0.108 0.000 0.840 322 E CB 0.493 30.169 29.700 -0.041 0.000 0.772 322 E HN 0.634 nan 8.360 nan 0.000 0.491 323 E N 0.083 120.255 120.200 -0.046 0.000 2.047 323 E HA -0.135 4.215 4.350 0.001 0.000 0.191 323 E C 2.132 178.712 176.600 -0.033 0.000 0.987 323 E CA 1.774 58.157 56.400 -0.028 0.000 0.799 323 E CB -0.008 29.678 29.700 -0.023 0.000 0.752 323 E HN 0.261 nan 8.360 nan 0.000 0.449 324 T N -3.651 110.874 114.554 -0.048 0.000 3.022 324 T HA 0.290 4.640 4.350 0.001 0.000 0.250 324 T C 1.486 176.153 174.700 -0.055 0.000 1.060 324 T CA 0.569 62.641 62.100 -0.046 0.000 1.013 324 T CB 0.851 69.690 68.868 -0.048 0.000 0.982 324 T HN 0.286 nan 8.240 nan 0.000 0.508 325 G N 1.537 110.290 108.800 -0.077 0.000 2.184 325 G HA2 -0.102 3.858 3.960 0.001 0.000 0.264 325 G HA3 -0.102 3.858 3.960 0.001 0.000 0.264 325 G C 0.325 175.162 174.900 -0.106 0.000 0.975 325 G CA -0.020 45.027 45.100 -0.088 0.000 0.642 325 G HN 1.277 nan 8.290 nan 0.000 0.536 326 A N -0.035 122.720 122.820 -0.108 0.000 2.454 326 A HA 0.790 5.110 4.320 0.001 0.000 0.260 326 A C 0.692 178.187 177.584 -0.148 0.000 1.106 326 A CA 1.089 53.063 52.037 -0.106 0.000 0.780 326 A CB 0.561 19.505 19.000 -0.093 0.000 1.044 326 A HN 2.071 nan 8.150 nan 0.000 0.498 327 A N 2.556 125.302 122.820 -0.123 0.000 2.342 327 A HA 0.753 5.073 4.320 0.001 0.000 0.323 327 A C -0.579 176.957 177.584 -0.080 0.000 1.125 327 A CA -0.512 51.448 52.037 -0.129 0.000 0.785 327 A CB 0.692 19.629 19.000 -0.106 0.000 1.221 327 A HN 1.938 nan 8.150 nan 0.000 0.463 328 L N -0.114 121.059 121.223 -0.082 0.000 2.415 328 L HA 1.004 5.345 4.340 0.001 0.000 0.256 328 L C -0.913 175.929 176.870 -0.047 0.000 1.010 328 L CA -0.877 53.924 54.840 -0.066 0.000 0.826 328 L CB 2.072 44.067 42.059 -0.107 0.000 1.405 328 L HN 0.600 nan 8.230 nan 0.000 0.410 329 M N 3.135 122.711 119.600 -0.040 0.000 2.165 329 M HA 0.644 5.124 4.480 0.001 0.000 0.283 329 M C -2.234 174.007 176.300 -0.099 0.000 0.978 329 M CA -0.768 54.503 55.300 -0.048 0.000 0.948 329 M CB 1.654 34.250 32.600 -0.005 0.000 1.599 329 M HN 0.800 nan 8.290 nan 0.000 0.450 330 L N 6.592 127.731 121.223 -0.140 0.000 2.325 330 L HA 0.777 5.117 4.340 0.001 0.000 0.281 330 L C -1.722 175.003 176.870 -0.242 0.000 1.004 330 L CA -0.387 54.344 54.840 -0.181 0.000 0.823 330 L CB 0.879 42.826 42.059 -0.187 0.000 1.236 330 L HN 0.822 nan 8.230 nan 0.000 0.415 331 I N 4.735 125.077 120.570 -0.380 0.000 2.465 331 I HA 0.384 4.554 4.170 0.001 0.000 0.291 331 I C -0.706 175.137 176.117 -0.457 0.000 1.014 331 I CA -0.609 60.356 61.300 -0.559 0.000 1.093 331 I CB 2.007 39.324 38.000 -1.138 0.000 1.267 331 I HN 0.601 nan 8.210 nan 0.000 0.431 332 Q N 4.352 124.039 119.800 -0.189 0.000 2.309 332 Q HA 0.392 4.732 4.340 0.001 0.000 0.264 332 Q C -0.628 175.495 176.000 0.206 0.000 1.008 332 Q CA -0.907 54.923 55.803 0.045 0.000 0.853 332 Q CB 1.861 30.673 28.738 0.124 0.000 1.314 332 Q HN 0.669 nan 8.270 nan 0.000 0.448 333 N N 1.015 119.933 118.700 0.364 0.000 2.389 333 N HA 0.070 4.810 4.740 0.001 0.000 0.237 333 N C -1.063 174.725 175.510 0.464 0.000 1.148 333 N CA -0.297 53.036 53.050 0.471 0.000 0.854 333 N CB 0.647 39.395 38.487 0.436 0.000 1.115 333 N HN 0.335 nan 8.380 nan 0.000 0.492 334 S N -1.071 114.862 115.700 0.389 0.000 2.500 334 S HA 0.871 5.341 4.470 0.001 0.000 0.301 334 S C 0.003 174.807 174.600 0.340 0.000 1.092 334 S CA -0.567 57.888 58.200 0.425 0.000 1.030 334 S CB 1.857 65.295 63.200 0.396 0.000 1.031 334 S HN 0.592 nan 8.310 nan 0.000 0.483 335 G N 0.680 109.696 108.800 0.360 0.000 2.749 335 G HA2 0.873 4.833 3.960 0.001 0.000 0.300 335 G HA3 0.873 4.833 3.960 0.001 0.000 0.300 335 G C -1.456 173.636 174.900 0.321 0.000 1.352 335 G CA -0.118 45.168 45.100 0.310 0.000 0.789 335 G HN 0.996 nan 8.290 nan 0.000 0.509 336 A N -2.199 120.795 122.820 0.289 0.000 2.529 336 A HA 0.822 5.142 4.320 0.001 0.000 0.296 336 A C 1.000 178.681 177.584 0.161 0.000 1.205 336 A CA 0.639 52.829 52.037 0.255 0.000 0.671 336 A CB 0.620 19.780 19.000 0.267 0.000 1.301 336 A HN 1.858 nan 8.150 nan 0.000 0.450 337 G N -0.879 107.960 108.800 0.065 0.000 2.411 337 G HA2 0.133 4.093 3.960 0.001 0.000 0.213 337 G HA3 0.133 4.093 3.960 0.001 0.000 0.213 337 G C 0.270 174.885 174.900 -0.475 0.000 1.166 337 G CA 1.087 46.081 45.100 -0.176 0.000 0.802 337 G HN 0.686 nan 8.290 nan 0.000 0.533 338 D N -0.377 119.867 120.400 -0.260 0.000 2.312 338 D HA 0.161 4.802 4.640 0.001 0.000 0.252 338 D C 0.890 177.047 176.300 -0.239 0.000 1.150 338 D CA -0.730 53.107 54.000 -0.272 0.000 0.870 338 D CB 0.850 41.608 40.800 -0.071 0.000 1.153 338 D HN 0.018 nan 8.370 nan 0.000 0.457 339 F N 1.791 121.652 119.950 -0.147 0.000 2.192 339 F HA -0.135 4.393 4.527 0.000 0.000 0.301 339 F C 2.247 178.012 175.800 -0.059 0.000 1.079 339 F CA 0.861 58.787 58.000 -0.123 0.000 1.303 339 F CB -0.086 38.809 39.000 -0.177 0.000 1.024 339 F HN 0.426 nan 8.300 nan 0.000 0.494 340 E N -0.201 120.080 120.200 0.136 0.000 2.478 340 E HA 0.019 4.369 4.350 0.001 0.000 0.194 340 E C 0.955 177.606 176.600 0.085 0.000 1.045 340 E CA 0.122 56.580 56.400 0.096 0.000 0.868 340 E CB -0.271 29.479 29.700 0.083 0.000 0.885 340 E HN 0.154 nan 8.360 nan 0.000 0.505 341 S N 0.338 116.088 115.700 0.084 0.000 2.558 341 S HA -0.051 4.419 4.470 0.001 0.000 0.288 341 S C 1.036 175.696 174.600 0.099 0.000 1.318 341 S CA -0.486 57.788 58.200 0.125 0.000 1.056 341 S CB 0.247 63.548 63.200 0.168 0.000 0.853 341 S HN 0.204 nan 8.310 nan 0.000 0.505 342 F N 5.331 125.238 119.950 -0.072 0.000 2.154 342 F HA -0.131 4.396 4.527 0.001 0.000 0.301 342 F C 1.101 176.761 175.800 -0.234 0.000 1.087 342 F CA 1.644 59.512 58.000 -0.221 0.000 1.274 342 F CB -0.547 38.191 39.000 -0.437 0.000 1.009 342 F HN 0.796 nan 8.300 nan 0.000 0.485 343 Y N -0.248 119.938 120.300 -0.189 0.000 2.616 343 Y HA 0.007 4.557 4.550 0.000 0.000 0.296 343 Y C 1.895 177.701 175.900 -0.155 0.000 1.154 343 Y CA 0.636 58.571 58.100 -0.276 0.000 1.325 343 Y CB -0.257 38.157 38.460 -0.077 0.000 1.007 343 Y HN 0.164 nan 8.280 nan 0.000 0.542 344 L N -0.923 120.300 121.223 -0.000 0.000 2.670 344 L HA 0.041 4.381 4.340 0.001 0.000 0.177 344 L C 2.298 179.148 176.870 -0.033 0.000 1.181 344 L CA 0.333 55.188 54.840 0.024 0.000 0.856 344 L CB -0.328 41.771 42.059 0.066 0.000 1.205 344 L HN -0.105 nan 8.230 nan 0.000 0.506 345 K N 0.715 121.101 120.400 -0.024 0.000 2.147 345 K HA -0.115 4.205 4.320 0.001 0.000 0.205 345 K C 1.736 178.300 176.600 -0.059 0.000 1.049 345 K CA 1.473 57.751 56.287 -0.015 0.000 0.936 345 K CB -0.216 32.300 32.500 0.027 0.000 0.722 345 K HN 0.325 nan 8.250 nan 0.000 0.446 346 G N 0.506 109.193 108.800 -0.190 0.000 2.559 346 G HA2 -0.165 3.795 3.960 0.001 0.000 0.216 346 G HA3 -0.165 3.795 3.960 0.001 0.000 0.216 346 G C 1.323 176.148 174.900 -0.125 0.000 1.126 346 G CA 0.423 45.396 45.100 -0.211 0.000 0.778 346 G HN 0.243 nan 8.290 nan 0.000 0.543 347 V N 0.971 120.797 119.914 -0.148 0.000 2.688 347 V HA -0.209 3.911 4.120 0.001 0.000 0.256 347 V C 2.296 178.304 176.094 -0.145 0.000 1.084 347 V CA 2.384 64.599 62.300 -0.141 0.000 1.103 347 V CB -0.477 31.295 31.823 -0.085 0.000 0.688 347 V HN 0.481 nan 8.190 nan 0.000 0.480 348 N N -0.477 118.198 118.700 -0.042 0.000 2.409 348 N HA -0.090 4.650 4.740 0.001 0.000 0.179 348 N C 1.655 177.202 175.510 0.063 0.000 1.032 348 N CA 1.068 54.170 53.050 0.086 0.000 0.898 348 N CB -0.007 38.568 38.487 0.147 0.000 0.971 348 N HN 0.612 nan 8.380 nan 0.000 0.441 349 E N 0.654 120.847 120.200 -0.011 0.000 2.015 349 E HA -0.108 4.243 4.350 0.001 0.000 0.191 349 E C -0.786 175.755 176.600 -0.097 0.000 0.991 349 E CA 1.041 57.440 56.400 -0.001 0.000 0.802 349 E CB -0.744 29.008 29.700 0.086 0.000 0.759 349 E HN 0.369 nan 8.360 nan 0.000 0.447 350 P HA -0.120 nan 4.420 nan 0.000 0.217 350 P C 1.604 178.752 177.300 -0.253 0.000 1.150 350 P CA 1.066 64.001 63.100 -0.275 0.000 0.832 350 P CB -0.010 31.413 31.700 -0.462 0.000 0.787 351 V N 1.240 120.977 119.914 -0.294 0.000 2.287 351 V HA -0.234 3.887 4.120 0.001 0.000 0.248 351 V C 2.512 178.364 176.094 -0.403 0.000 1.053 351 V CA 2.354 64.409 62.300 -0.409 0.000 1.027 351 V CB -1.411 30.048 31.823 -0.607 0.000 0.646 351 V HN 0.119 nan 8.190 nan 0.000 0.447 352 D N -0.060 120.208 120.400 -0.220 0.000 2.104 352 D HA -0.178 4.463 4.640 0.001 0.000 0.194 352 D C 2.436 178.697 176.300 -0.065 0.000 0.994 352 D CA 1.510 55.497 54.000 -0.021 0.000 0.830 352 D CB -0.067 40.815 40.800 0.137 0.000 0.959 352 D HN 0.341 nan 8.370 nan 0.000 0.452 353 R N -0.299 120.151 120.500 -0.083 0.000 2.075 353 R HA -0.053 4.287 4.340 0.001 0.000 0.232 353 R C 2.505 178.737 176.300 -0.113 0.000 1.126 353 R CA 0.692 56.743 56.100 -0.080 0.000 0.963 353 R CB -0.252 30.005 30.300 -0.071 0.000 0.858 353 R HN 0.080 nan 8.270 nan 0.000 0.435 354 V N 1.191 121.009 119.914 -0.161 0.000 2.343 354 V HA -0.226 3.895 4.120 0.001 0.000 0.247 354 V C 2.180 178.182 176.094 -0.154 0.000 1.051 354 V CA 1.652 63.844 62.300 -0.180 0.000 1.036 354 V CB -0.350 31.338 31.823 -0.225 0.000 0.654 354 V HN 0.286 nan 8.190 nan 0.000 0.451 355 L N 0.369 121.495 121.223 -0.161 0.000 2.093 355 L HA -0.181 4.159 4.340 0.001 0.000 0.208 355 L C 2.702 179.526 176.870 -0.077 0.000 1.085 355 L CA 1.998 56.763 54.840 -0.126 0.000 0.755 355 L CB -0.668 41.308 42.059 -0.138 0.000 0.904 355 L HN 0.558 nan 8.230 nan 0.000 0.435 356 E N 0.522 120.684 120.200 -0.063 0.000 2.208 356 E HA -0.157 4.193 4.350 0.001 0.000 0.193 356 E C 2.117 178.689 176.600 -0.047 0.000 0.988 356 E CA 0.974 57.349 56.400 -0.041 0.000 0.828 356 E CB -0.146 29.538 29.700 -0.026 0.000 0.763 356 E HN 0.405 nan 8.360 nan 0.000 0.478 357 A N 1.898 124.679 122.820 -0.064 0.000 1.898 357 A HA -0.065 4.256 4.320 0.001 0.000 0.216 357 A C 2.245 179.795 177.584 -0.057 0.000 1.181 357 A CA 1.105 53.104 52.037 -0.064 0.000 0.620 357 A CB -0.588 18.361 19.000 -0.086 0.000 0.819 357 A HN 0.254 nan 8.150 nan 0.000 0.442 358 I N -0.303 120.227 120.570 -0.066 0.000 2.208 358 I HA -0.285 3.885 4.170 0.001 0.000 0.245 358 I C 2.553 178.646 176.117 -0.041 0.000 1.097 358 I CA 1.892 63.160 61.300 -0.054 0.000 1.363 358 I CB -0.237 37.725 38.000 -0.064 0.000 1.051 358 I HN 0.373 nan 8.210 nan 0.000 0.413 359 K N 1.410 121.786 120.400 -0.040 0.000 2.026 359 K HA -0.191 4.129 4.320 0.001 0.000 0.208 359 K C 1.563 178.149 176.600 -0.024 0.000 1.048 359 K CA 2.000 58.269 56.287 -0.030 0.000 0.929 359 K CB -0.200 32.284 32.500 -0.027 0.000 0.713 359 K HN 0.429 nan 8.250 nan 0.000 0.439 360 N N 0.077 118.762 118.700 -0.026 0.000 2.515 360 N HA -0.072 4.668 4.740 0.001 0.000 0.185 360 N C 1.185 176.683 175.510 -0.019 0.000 1.109 360 N CA 0.647 53.684 53.050 -0.021 0.000 0.903 360 N CB 0.225 38.699 38.487 -0.022 0.000 0.969 360 N HN 0.237 nan 8.380 nan 0.000 0.450 361 S N -0.017 115.670 115.700 -0.022 0.000 2.548 361 S HA 0.172 4.642 4.470 0.001 0.000 0.215 361 S C 1.481 176.073 174.600 -0.014 0.000 0.976 361 S CA -0.061 58.129 58.200 -0.017 0.000 0.908 361 S CB 0.329 63.518 63.200 -0.019 0.000 0.781 361 S HN 0.173 nan 8.310 nan 0.000 0.519 362 R N 0.303 120.794 120.500 -0.015 0.000 2.487 362 R HA 0.411 4.752 4.340 0.001 0.000 0.272 362 R C 0.680 176.973 176.300 -0.011 0.000 0.928 362 R CA 0.030 56.122 56.100 -0.013 0.000 1.077 362 R CB 0.490 30.782 30.300 -0.014 0.000 1.265 362 R HN 0.251 nan 8.270 nan 0.000 0.537 363 S N 0.000 115.693 115.700 -0.012 0.000 2.498 363 S HA 0.000 4.470 4.470 0.001 0.000 0.327 363 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 363 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 363 S HN 0.000 nan 8.310 nan 0.000 0.517