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 2xso_1_I DATA FIRST_RESID 18 DATA SEQUENCE NWTPEAIRGL VDQEKGLLDP RIYADQSLYE LELERVFGRS WLLLGHESHV DATA SEQUENCE PETGDFLATY MGEDPVVMVR QKDKSIKVFL NQCRHRGMRI CRSDAGNAKA DATA SEQUENCE FTCSYHGWAY DIAGKLVNVP FEKEAFXXXX XXXXXFDKAE WGPLQARVAT DATA SEQUENCE YKGLVFANWD VQAPDLETYL GDARPYMDVM LDRTPAGTVA IGGMQKWVIP DATA SEQUENCE CNWKFAAEQF CSDMYHAGTT THLSGILAGI PPEMDLSQAQ IPTKGNQFRA DATA SEQUENCE AWGGHGSGWY VDEPGSLLAV MGPKVTQYWT EGPAAELAEQ RLGHTGMPVR DATA SEQUENCE RMVGQHMTIF PTCSFLPAMN NIRIWHPRGP NEIEVWAFTL VDADAPAEIK DATA SEQUENCE EEYRRHNIRN FSAGGVFEQD DGENWVEIQK GLRGYKAKSQ PLNAQMGLGR DATA SEQUENCE SQTGHPDFPG NVGYVYAEEA ARGMYHHWMR MMSEPSWATL KP 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 18 N HA 0.000 nan 4.740 nan 0.000 0.220 18 N C 0.000 175.450 175.510 -0.100 0.000 1.280 18 N CA 0.000 53.022 53.050 -0.046 0.000 0.885 18 N CB 0.000 38.486 38.487 -0.001 0.000 1.341 19 W N 2.999 124.291 121.300 -0.014 0.000 2.365 19 W HA 0.239 4.899 4.660 -0.000 0.000 0.371 19 W C 0.664 177.159 176.519 -0.039 0.000 1.006 19 W CA -0.307 57.025 57.345 -0.022 0.000 1.528 19 W CB 0.245 29.690 29.460 -0.025 0.000 1.497 19 W HN 0.428 nan 8.180 nan 0.000 0.367 20 T N 0.855 115.478 114.554 0.115 0.000 2.946 20 T HA -0.011 4.339 4.350 -0.000 0.000 0.311 20 T C -1.552 173.196 174.700 0.080 0.000 1.063 20 T CA -0.964 61.175 62.100 0.065 0.000 1.139 20 T CB 1.141 70.019 68.868 0.017 0.000 0.994 20 T HN 0.130 nan 8.240 nan 0.000 0.547 21 P HA -0.084 nan 4.420 nan 0.000 0.218 21 P C 1.264 178.568 177.300 0.008 0.000 1.146 21 P CA 0.951 64.048 63.100 -0.005 0.000 0.813 21 P CB 0.081 31.762 31.700 -0.033 0.000 0.778 22 E N -0.311 119.902 120.200 0.021 0.000 2.051 22 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 22 E C 2.174 178.810 176.600 0.059 0.000 0.991 22 E CA 1.555 57.971 56.400 0.026 0.000 0.799 22 E CB -1.202 28.508 29.700 0.017 0.000 0.748 22 E HN 0.145 nan 8.360 nan 0.000 0.449 23 A N 0.343 123.223 122.820 0.100 0.000 1.969 23 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 23 A C 2.205 179.960 177.584 0.284 0.000 1.169 23 A CA 1.036 53.181 52.037 0.181 0.000 0.635 23 A CB -0.578 18.522 19.000 0.168 0.000 0.810 23 A HN 0.196 nan 8.150 nan 0.000 0.445 24 I N -0.806 119.894 120.570 0.217 0.000 2.252 24 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 24 I C 2.688 178.812 176.117 0.012 0.000 1.102 24 I CA 1.139 62.477 61.300 0.064 0.000 1.385 24 I CB -0.305 37.645 38.000 -0.083 0.000 1.064 24 I HN 0.263 nan 8.210 nan 0.000 0.414 25 R N 0.665 121.169 120.500 0.006 0.000 2.105 25 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 25 R C 2.386 178.709 176.300 0.039 0.000 1.135 25 R CA 1.478 57.579 56.100 0.001 0.000 0.967 25 R CB -0.853 29.444 30.300 -0.005 0.000 0.861 25 R HN 0.467 nan 8.270 nan 0.000 0.442 26 G N 1.262 110.099 108.800 0.062 0.000 2.462 26 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 26 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 26 G C 1.398 176.336 174.900 0.063 0.000 1.121 26 G CA 0.459 45.597 45.100 0.065 0.000 0.758 26 G HN 0.174 nan 8.290 nan 0.000 0.559 27 L N -0.351 120.918 121.223 0.078 0.000 2.275 27 L HA 0.094 4.434 4.340 -0.000 0.000 0.215 27 L C 0.242 177.114 176.870 0.004 0.000 1.119 27 L CA 0.199 55.069 54.840 0.051 0.000 0.790 27 L CB -0.148 41.955 42.059 0.073 0.000 0.919 27 L HN -0.025 nan 8.230 nan 0.000 0.443 28 V N -0.830 119.107 119.914 0.039 0.000 2.638 28 V HA 0.348 4.468 4.120 -0.000 0.000 0.306 28 V C -1.210 174.912 176.094 0.046 0.000 1.052 28 V CA -0.783 61.532 62.300 0.024 0.000 0.885 28 V CB 2.409 34.294 31.823 0.103 0.000 0.999 28 V HN -0.082 nan 8.190 nan 0.000 0.424 29 D N 3.027 123.438 120.400 0.017 0.000 2.469 29 D HA 0.284 4.924 4.640 -0.000 0.000 0.251 29 D C 0.743 177.046 176.300 0.005 0.000 1.173 29 D CA -0.383 53.630 54.000 0.022 0.000 0.882 29 D CB 2.197 42.999 40.800 0.004 0.000 1.129 29 D HN 0.717 nan 8.370 nan 0.000 0.549 30 Q N 2.381 122.185 119.800 0.006 0.000 2.331 30 Q HA -0.022 4.318 4.340 -0.000 0.000 0.203 30 Q C 0.604 176.568 176.000 -0.060 0.000 0.944 30 Q CA 0.713 56.487 55.803 -0.047 0.000 0.892 30 Q CB 0.298 28.950 28.738 -0.142 0.000 0.983 30 Q HN 0.273 nan 8.270 nan 0.000 0.482 31 E N 2.041 122.211 120.200 -0.049 0.000 2.047 31 E HA -0.109 4.240 4.350 -0.000 0.000 0.191 31 E C 1.702 178.286 176.600 -0.028 0.000 0.987 31 E CA 1.223 57.599 56.400 -0.040 0.000 0.799 31 E CB 0.002 29.685 29.700 -0.028 0.000 0.752 31 E HN 0.502 nan 8.360 nan 0.000 0.449 32 K N -0.644 119.743 120.400 -0.022 0.000 2.314 32 K HA 0.100 4.420 4.320 -0.000 0.000 0.198 32 K C 0.909 177.495 176.600 -0.023 0.000 1.045 32 K CA 0.614 56.890 56.287 -0.019 0.000 0.988 32 K CB 0.514 33.005 32.500 -0.014 0.000 0.783 32 K HN 0.230 nan 8.250 nan 0.000 0.484 33 G N 1.855 110.638 108.800 -0.028 0.000 2.203 33 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.231 33 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.231 33 G C -0.296 174.578 174.900 -0.044 0.000 1.058 33 G CA -0.335 44.745 45.100 -0.033 0.000 0.781 33 G HN 0.082 nan 8.290 nan 0.000 0.496 34 L N -0.325 120.870 121.223 -0.047 0.000 2.325 34 L HA 0.833 5.173 4.340 -0.000 0.000 0.278 34 L C 0.355 177.164 176.870 -0.100 0.000 1.023 34 L CA -1.110 53.695 54.840 -0.060 0.000 0.811 34 L CB 1.757 43.794 42.059 -0.038 0.000 1.249 34 L HN 0.081 nan 8.230 nan 0.000 0.431 35 L N 1.750 122.891 121.223 -0.138 0.000 2.438 35 L HA 0.406 4.746 4.340 -0.000 0.000 0.270 35 L C -0.687 176.083 176.870 -0.167 0.000 0.972 35 L CA -0.652 54.048 54.840 -0.233 0.000 0.831 35 L CB 2.232 44.044 42.059 -0.412 0.000 1.273 35 L HN 0.477 nan 8.230 nan 0.000 0.405 36 D N 4.492 124.794 120.400 -0.164 0.000 2.371 36 D HA 0.130 4.770 4.640 -0.000 0.000 0.256 36 D C -1.748 174.451 176.300 -0.168 0.000 1.193 36 D CA -1.471 52.461 54.000 -0.113 0.000 0.881 36 D CB 1.974 42.738 40.800 -0.059 0.000 1.143 36 D HN 0.250 nan 8.370 nan 0.000 0.473 37 P HA 0.021 nan 4.420 nan 0.000 0.233 37 P C 1.063 178.376 177.300 0.021 0.000 1.167 37 P CA 0.502 63.647 63.100 0.075 0.000 0.770 37 P CB 0.262 32.028 31.700 0.109 0.000 0.837 38 R N 0.223 120.706 120.500 -0.029 0.000 2.241 38 R HA -0.064 4.276 4.340 -0.000 0.000 0.224 38 R C 2.196 178.428 176.300 -0.115 0.000 1.101 38 R CA 1.009 57.113 56.100 0.006 0.000 0.995 38 R CB -0.944 29.421 30.300 0.109 0.000 0.870 38 R HN 0.360 nan 8.270 nan 0.000 0.463 39 I N -2.746 117.605 120.570 -0.364 0.000 2.614 39 I HA -0.215 3.955 4.170 -0.000 0.000 0.258 39 I C 0.877 176.608 176.117 -0.643 0.000 1.189 39 I CA 1.464 62.405 61.300 -0.599 0.000 1.462 39 I CB -0.246 37.139 38.000 -1.026 0.000 1.092 39 I HN 0.029 nan 8.210 nan 0.000 0.442 40 Y N 0.754 120.883 120.300 -0.284 0.000 2.458 40 Y HA 0.534 5.084 4.550 -0.000 0.000 0.256 40 Y C 2.237 178.066 175.900 -0.118 0.000 1.159 40 Y CA 0.184 58.089 58.100 -0.324 0.000 1.261 40 Y CB 0.281 38.499 38.460 -0.403 0.000 1.119 40 Y HN 0.207 nan 8.280 nan 0.000 0.524 41 A N -0.873 121.990 122.820 0.072 0.000 2.141 41 A HA 0.103 4.423 4.320 -0.000 0.000 0.201 41 A C -0.219 177.420 177.584 0.092 0.000 1.344 41 A CA -0.139 51.951 52.037 0.089 0.000 0.971 41 A CB 0.013 19.078 19.000 0.108 0.000 1.035 41 A HN 0.212 nan 8.150 nan 0.000 0.480 42 D N -0.275 120.186 120.400 0.101 0.000 2.348 42 D HA 0.305 4.945 4.640 -0.000 0.000 0.253 42 D C 1.072 177.481 176.300 0.183 0.000 1.161 42 D CA 0.018 54.118 54.000 0.165 0.000 0.876 42 D CB 1.095 42.031 40.800 0.227 0.000 1.160 42 D HN 0.196 nan 8.370 nan 0.000 0.459 43 Q N 1.852 121.767 119.800 0.192 0.000 2.079 43 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 43 Q C 1.621 177.773 176.000 0.254 0.000 0.974 43 Q CA 1.461 57.386 55.803 0.203 0.000 0.840 43 Q CB -0.098 28.731 28.738 0.151 0.000 0.898 43 Q HN 0.479 nan 8.270 nan 0.000 0.430 44 S N -0.249 115.617 115.700 0.276 0.000 2.399 44 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 44 S C 1.671 176.382 174.600 0.186 0.000 1.022 44 S CA 0.894 59.275 58.200 0.302 0.000 0.983 44 S CB -0.190 63.306 63.200 0.493 0.000 0.803 44 S HN 0.374 nan 8.310 nan 0.000 0.480 45 L N -0.452 120.806 121.223 0.059 0.000 2.156 45 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 45 L C 2.232 179.161 176.870 0.098 0.000 1.095 45 L CA 1.135 55.883 54.840 -0.154 0.000 0.770 45 L CB -0.399 41.492 42.059 -0.281 0.000 0.914 45 L HN 0.361 nan 8.230 nan 0.000 0.439 46 Y N 1.157 121.516 120.300 0.099 0.000 2.163 46 Y HA -0.251 4.299 4.550 -0.000 0.000 0.288 46 Y C 2.399 178.376 175.900 0.128 0.000 1.136 46 Y CA 1.709 59.909 58.100 0.168 0.000 1.147 46 Y CB -0.074 38.472 38.460 0.143 0.000 0.987 46 Y HN 0.139 nan 8.280 nan 0.000 0.509 47 E N -0.268 119.973 120.200 0.068 0.000 2.085 47 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 47 E C 2.043 178.600 176.600 -0.071 0.000 0.994 47 E CA 1.281 57.665 56.400 -0.026 0.000 0.801 47 E CB -0.232 29.519 29.700 0.084 0.000 0.743 47 E HN 0.327 nan 8.360 nan 0.000 0.453 48 L N 1.084 122.286 121.223 -0.034 0.000 2.141 48 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 48 L C 2.009 178.824 176.870 -0.092 0.000 1.094 48 L CA 1.634 56.434 54.840 -0.068 0.000 0.763 48 L CB -0.778 41.226 42.059 -0.092 0.000 0.908 48 L HN 0.196 nan 8.230 nan 0.000 0.437 49 E N -0.421 119.751 120.200 -0.045 0.000 2.077 49 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 49 E C 2.336 178.988 176.600 0.087 0.000 0.989 49 E CA 0.887 57.328 56.400 0.069 0.000 0.800 49 E CB -0.056 29.865 29.700 0.369 0.000 0.746 49 E HN 0.419 nan 8.360 nan 0.000 0.452 50 L N 0.723 121.900 121.223 -0.076 0.000 2.083 50 L HA -0.218 4.121 4.340 -0.000 0.000 0.209 50 L C 2.659 179.531 176.870 0.003 0.000 1.083 50 L CA 1.307 56.108 54.840 -0.065 0.000 0.752 50 L CB -0.288 41.603 42.059 -0.279 0.000 0.899 50 L HN 0.214 nan 8.230 nan 0.000 0.433 51 E N -0.044 120.131 120.200 -0.042 0.000 2.033 51 E HA -0.154 4.196 4.350 -0.000 0.000 0.189 51 E C 2.283 178.862 176.600 -0.035 0.000 0.979 51 E CA 0.671 57.047 56.400 -0.040 0.000 0.802 51 E CB 0.187 29.853 29.700 -0.057 0.000 0.763 51 E HN 0.301 nan 8.360 nan 0.000 0.449 52 R N 0.058 120.512 120.500 -0.076 0.000 2.189 52 R HA 0.082 4.422 4.340 -0.000 0.000 0.203 52 R C 2.068 178.292 176.300 -0.127 0.000 1.012 52 R CA 0.488 56.508 56.100 -0.133 0.000 1.015 52 R CB 0.441 30.616 30.300 -0.208 0.000 0.938 52 R HN 0.174 nan 8.270 nan 0.000 0.472 53 V N -0.251 119.601 119.914 -0.104 0.000 2.785 53 V HA -0.002 4.118 4.120 -0.000 0.000 0.226 53 V C 1.795 177.783 176.094 -0.176 0.000 1.127 53 V CA 0.814 63.015 62.300 -0.164 0.000 1.193 53 V CB -0.678 30.964 31.823 -0.302 0.000 0.926 53 V HN -0.032 nan 8.190 nan 0.000 0.507 54 F N 2.035 121.935 119.950 -0.084 0.000 2.250 54 F HA -0.032 4.495 4.527 -0.000 0.000 0.301 54 F C 2.349 178.187 175.800 0.064 0.000 1.077 54 F CA 1.476 59.436 58.000 -0.066 0.000 1.348 54 F CB -1.013 37.897 39.000 -0.150 0.000 1.040 54 F HN 0.284 nan 8.300 nan 0.000 0.509 55 G N 0.207 109.128 108.800 0.200 0.000 2.534 55 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.217 55 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.217 55 G C 1.385 176.424 174.900 0.232 0.000 1.128 55 G CA 0.610 45.828 45.100 0.195 0.000 0.784 55 G HN 0.495 nan 8.290 nan 0.000 0.542 56 R N -1.164 119.450 120.500 0.189 0.000 2.519 56 R HA 0.360 4.700 4.340 -0.000 0.000 0.375 56 R C -0.059 176.386 176.300 0.241 0.000 0.926 56 R CA -0.265 55.984 56.100 0.247 0.000 1.166 56 R CB 0.198 30.728 30.300 0.383 0.000 1.626 56 R HN 0.058 nan 8.270 nan 0.000 0.529 57 S N 0.729 116.510 115.700 0.135 0.000 2.672 57 S HA 0.312 4.782 4.470 -0.000 0.000 0.276 57 S C -0.947 173.542 174.600 -0.184 0.000 1.207 57 S CA -0.635 57.640 58.200 0.126 0.000 1.002 57 S CB 0.625 63.927 63.200 0.170 0.000 0.998 57 S HN 0.223 nan 8.310 nan 0.000 0.542 58 W N 2.179 123.293 121.300 -0.309 0.000 2.345 58 W HA 0.466 5.126 4.660 -0.000 0.000 0.308 58 W C -0.571 176.010 176.519 0.104 0.000 1.273 58 W CA -0.320 56.880 57.345 -0.242 0.000 1.243 58 W CB 0.079 29.174 29.460 -0.609 0.000 1.260 58 W HN 0.270 nan 8.180 nan 0.000 0.509 59 L N 5.021 126.465 121.223 0.368 0.000 2.346 59 L HA 0.454 4.794 4.340 -0.000 0.000 0.276 59 L C -0.286 176.709 176.870 0.209 0.000 1.006 59 L CA -1.449 53.563 54.840 0.288 0.000 0.817 59 L CB 1.214 43.355 42.059 0.137 0.000 1.272 59 L HN 0.204 nan 8.230 nan 0.000 0.421 60 L N 3.122 124.365 121.223 0.034 0.000 2.367 60 L HA 0.210 4.550 4.340 -0.000 0.000 0.275 60 L C 0.324 177.110 176.870 -0.140 0.000 1.129 60 L CA 0.587 55.215 54.840 -0.355 0.000 0.839 60 L CB 0.582 42.448 42.059 -0.322 0.000 1.133 60 L HN 0.600 nan 8.230 nan 0.000 0.453 61 L N 4.468 125.591 121.223 -0.166 0.000 2.642 61 L HA 0.520 4.860 4.340 -0.000 0.000 0.233 61 L C 0.984 177.820 176.870 -0.057 0.000 1.077 61 L CA 0.441 55.240 54.840 -0.069 0.000 0.879 61 L CB 0.051 42.058 42.059 -0.085 0.000 1.151 61 L HN 0.893 nan 8.230 nan 0.000 0.495 62 G N -1.523 107.236 108.800 -0.068 0.000 2.491 62 G HA2 0.047 4.007 3.960 -0.000 0.000 0.183 62 G HA3 0.047 4.007 3.960 -0.000 0.000 0.183 62 G C -1.791 173.137 174.900 0.047 0.000 1.221 62 G CA -0.602 44.443 45.100 -0.092 0.000 0.996 62 G HN 0.003 nan 8.290 nan 0.000 0.474 63 H N 0.471 119.537 119.070 -0.006 0.000 2.797 63 H HA 0.478 5.034 4.556 -0.000 0.000 0.372 63 H C 0.953 176.215 175.328 -0.110 0.000 1.168 63 H CA -0.065 55.918 56.048 -0.108 0.000 1.163 63 H CB 2.320 31.933 29.762 -0.249 0.000 1.778 63 H HN 0.620 nan 8.280 nan 0.000 0.551 64 E N 0.791 120.783 120.200 -0.346 0.000 2.209 64 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 64 E C 1.592 178.218 176.600 0.043 0.000 0.993 64 E CA 1.558 57.886 56.400 -0.121 0.000 0.819 64 E CB 0.254 29.837 29.700 -0.194 0.000 0.745 64 E HN 0.558 nan 8.360 nan 0.000 0.477 65 S N -0.626 115.199 115.700 0.210 0.000 2.527 65 S HA -0.067 4.403 4.470 -0.000 0.000 0.222 65 S C 1.420 175.974 174.600 -0.077 0.000 0.985 65 S CA 0.386 58.599 58.200 0.023 0.000 0.921 65 S CB -0.281 62.879 63.200 -0.067 0.000 0.772 65 S HN 0.365 nan 8.310 nan 0.000 0.529 66 H N 1.280 120.348 119.070 -0.004 0.000 2.389 66 H HA 0.102 4.658 4.556 -0.000 0.000 0.299 66 H C 0.934 176.221 175.328 -0.069 0.000 1.081 66 H CA 1.241 57.242 56.048 -0.078 0.000 1.345 66 H CB 0.199 29.878 29.762 -0.139 0.000 1.393 66 H HN 0.476 nan 8.280 nan 0.000 0.520 67 V N -0.771 119.187 119.914 0.073 0.000 2.326 67 V HA 0.230 4.350 4.120 -0.000 0.000 0.254 67 V C -2.221 173.890 176.094 0.027 0.000 1.022 67 V CA -1.404 60.919 62.300 0.038 0.000 1.074 67 V CB 1.191 33.045 31.823 0.053 0.000 1.305 67 V HN 0.106 nan 8.190 nan 0.000 0.506 68 P HA 0.090 nan 4.420 nan 0.000 0.221 68 P C 0.291 177.598 177.300 0.013 0.000 1.155 68 P CA 1.143 64.249 63.100 0.010 0.000 0.812 68 P CB 0.699 32.398 31.700 -0.001 0.000 0.801 69 E N -0.304 119.906 120.200 0.017 0.000 2.243 69 E HA 0.254 4.604 4.350 -0.000 0.000 0.260 69 E C -0.113 176.510 176.600 0.038 0.000 0.985 69 E CA -0.694 55.718 56.400 0.021 0.000 0.858 69 E CB 0.120 29.828 29.700 0.014 0.000 1.210 69 E HN -0.187 nan 8.360 nan 0.000 0.411 70 T N 0.929 115.506 114.554 0.037 0.000 2.831 70 T HA 0.273 4.623 4.350 -0.000 0.000 0.291 70 T C 1.136 175.874 174.700 0.063 0.000 0.981 70 T CA 1.355 63.484 62.100 0.050 0.000 1.174 70 T CB -0.058 68.832 68.868 0.036 0.000 0.929 70 T HN 0.734 nan 8.240 nan 0.000 0.532 71 G N 3.734 112.593 108.800 0.098 0.000 2.241 71 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.244 71 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.244 71 G C -0.092 174.936 174.900 0.213 0.000 0.998 71 G CA -0.263 44.914 45.100 0.128 0.000 0.621 71 G HN 0.679 nan 8.290 nan 0.000 0.519 72 D N 1.042 121.525 120.400 0.139 0.000 2.458 72 D HA 0.525 5.165 4.640 -0.000 0.000 0.243 72 D C 0.460 176.866 176.300 0.178 0.000 1.146 72 D CA 0.733 54.781 54.000 0.080 0.000 0.877 72 D CB 0.306 41.112 40.800 0.010 0.000 1.176 72 D HN 0.559 nan 8.370 nan 0.000 0.461 73 F N 0.338 120.345 119.950 0.094 0.000 2.613 73 F HA 0.686 5.213 4.527 -0.000 0.000 0.314 73 F C -1.722 174.097 175.800 0.031 0.000 1.075 73 F CA -1.491 56.565 58.000 0.093 0.000 0.945 73 F CB 1.123 40.254 39.000 0.218 0.000 1.310 73 F HN 0.112 nan 8.300 nan 0.000 0.467 74 L N 2.676 124.011 121.223 0.186 0.000 2.406 74 L HA 0.845 5.185 4.340 -0.000 0.000 0.272 74 L C -0.821 176.121 176.870 0.120 0.000 0.980 74 L CA -0.676 54.208 54.840 0.073 0.000 0.831 74 L CB 1.713 43.746 42.059 -0.044 0.000 1.253 74 L HN 1.036 nan 8.230 nan 0.000 0.406 75 A N 3.490 126.406 122.820 0.159 0.000 2.347 75 A HA 0.629 4.949 4.320 -0.000 0.000 0.287 75 A C 0.085 177.716 177.584 0.079 0.000 1.199 75 A CA 0.296 52.358 52.037 0.042 0.000 0.851 75 A CB 0.370 19.409 19.000 0.065 0.000 1.118 75 A HN 0.768 nan 8.150 nan 0.000 0.525 76 T N 1.358 115.850 114.554 -0.103 0.000 2.604 76 T HA 0.728 5.078 4.350 -0.000 0.000 0.267 76 T C -1.322 172.997 174.700 -0.634 0.000 0.923 76 T CA -0.346 61.668 62.100 -0.142 0.000 1.077 76 T CB 0.578 69.441 68.868 -0.008 0.000 1.392 76 T HN 0.474 nan 8.240 nan 0.000 0.531 77 Y N -0.119 119.829 120.300 -0.587 0.000 2.545 77 Y HA 0.681 5.231 4.550 -0.000 0.000 0.348 77 Y C -0.152 175.555 175.900 -0.322 0.000 1.002 77 Y CA -0.947 56.805 58.100 -0.581 0.000 1.039 77 Y CB 2.377 40.195 38.460 -1.071 0.000 1.271 77 Y HN 0.422 nan 8.280 nan 0.000 0.467 78 M N 2.830 122.443 119.600 0.022 0.000 1.980 78 M HA 0.427 4.907 4.480 -0.000 0.000 0.282 78 M C 0.367 176.738 176.300 0.120 0.000 0.878 78 M CA -0.091 55.273 55.300 0.107 0.000 0.900 78 M CB 1.168 33.862 32.600 0.157 0.000 1.577 78 M HN 0.996 nan 8.290 nan 0.000 0.396 79 G N 2.049 110.827 108.800 -0.036 0.000 2.588 79 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.273 79 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.273 79 G C 0.281 175.026 174.900 -0.258 0.000 1.211 79 G CA 0.157 45.052 45.100 -0.340 0.000 0.958 79 G HN 0.659 nan 8.290 nan 0.000 0.543 80 E N 1.319 121.426 120.200 -0.155 0.000 2.538 80 E HA 0.174 4.524 4.350 -0.000 0.000 0.207 80 E C -0.697 175.966 176.600 0.105 0.000 1.002 80 E CA -0.211 56.141 56.400 -0.081 0.000 0.952 80 E CB 0.525 30.179 29.700 -0.076 0.000 1.031 80 E HN 0.414 nan 8.360 nan 0.000 0.476 81 D N 3.420 123.892 120.400 0.121 0.000 2.316 81 D HA 0.130 4.770 4.640 -0.000 0.000 0.245 81 D C -2.332 174.015 176.300 0.078 0.000 1.171 81 D CA -1.643 52.423 54.000 0.111 0.000 0.856 81 D CB 1.377 42.239 40.800 0.103 0.000 1.090 81 D HN -0.013 nan 8.370 nan 0.000 0.476 82 P HA 0.034 nan 4.420 nan 0.000 0.276 82 P C -0.272 176.839 177.300 -0.315 0.000 1.235 82 P CA -0.354 62.404 63.100 -0.570 0.000 0.772 82 P CB 1.075 32.511 31.700 -0.441 0.000 0.871 83 V N 1.567 121.252 119.914 -0.381 0.000 3.001 83 V HA 0.677 4.797 4.120 -0.000 0.000 0.314 83 V C -0.634 175.222 176.094 -0.395 0.000 1.099 83 V CA -1.136 60.993 62.300 -0.286 0.000 0.989 83 V CB 2.236 33.947 31.823 -0.186 0.000 1.040 83 V HN 0.198 nan 8.190 nan 0.000 0.434 84 V N 3.614 123.171 119.914 -0.595 0.000 2.384 84 V HA 0.512 4.632 4.120 -0.000 0.000 0.287 84 V C -0.029 175.728 176.094 -0.561 0.000 1.020 84 V CA -0.328 61.563 62.300 -0.682 0.000 0.850 84 V CB 1.351 32.439 31.823 -1.225 0.000 0.987 84 V HN 1.033 nan 8.190 nan 0.000 0.436 85 M N 6.306 125.757 119.600 -0.248 0.000 2.129 85 M HA 0.747 5.227 4.480 -0.000 0.000 0.348 85 M C -1.383 174.922 176.300 0.008 0.000 1.116 85 M CA -0.374 54.850 55.300 -0.126 0.000 1.022 85 M CB 1.382 33.939 32.600 -0.072 0.000 1.599 85 M HN 0.589 nan 8.290 nan 0.000 0.449 86 V N 5.745 125.690 119.914 0.051 0.000 2.668 86 V HA 0.568 4.688 4.120 -0.000 0.000 0.304 86 V C -1.152 175.038 176.094 0.159 0.000 1.071 86 V CA -0.783 61.631 62.300 0.190 0.000 0.894 86 V CB 2.016 34.045 31.823 0.345 0.000 1.008 86 V HN 1.003 nan 8.190 nan 0.000 0.425 87 R N 5.299 125.884 120.500 0.143 0.000 2.442 87 R HA 0.419 4.759 4.340 -0.000 0.000 0.291 87 R C 0.016 176.384 176.300 0.115 0.000 1.069 87 R CA 0.234 56.396 56.100 0.103 0.000 1.022 87 R CB 0.630 30.976 30.300 0.075 0.000 0.976 87 R HN 0.796 nan 8.270 nan 0.000 0.443 88 Q N 3.070 122.926 119.800 0.093 0.000 2.180 88 Q HA 0.126 4.466 4.340 -0.000 0.000 0.241 88 Q C 0.435 176.471 176.000 0.060 0.000 0.970 88 Q CA -0.501 55.355 55.803 0.088 0.000 0.919 88 Q CB 0.887 29.675 28.738 0.083 0.000 1.222 88 Q HN 0.639 nan 8.270 nan 0.000 0.482 89 K N 0.814 121.246 120.400 0.052 0.000 2.063 89 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 89 K C 0.801 177.418 176.600 0.028 0.000 1.048 89 K CA 1.794 58.102 56.287 0.036 0.000 0.928 89 K CB 0.081 32.599 32.500 0.030 0.000 0.713 89 K HN 0.619 nan 8.250 nan 0.000 0.442 90 D N 0.216 120.633 120.400 0.029 0.000 2.338 90 D HA -0.084 4.556 4.640 -0.000 0.000 0.239 90 D C -0.208 176.104 176.300 0.020 0.000 1.095 90 D CA 0.402 54.415 54.000 0.022 0.000 0.888 90 D CB -0.080 40.732 40.800 0.021 0.000 0.899 90 D HN 0.227 nan 8.370 nan 0.000 0.525 91 K N -1.185 119.229 120.400 0.024 0.000 3.529 91 K HA -0.207 4.112 4.320 -0.000 0.000 0.313 91 K C 0.395 177.008 176.600 0.021 0.000 1.316 91 K CA 1.062 57.361 56.287 0.020 0.000 0.988 91 K CB -2.269 30.237 32.500 0.009 0.000 1.252 91 K HN 0.482 nan 8.250 nan 0.000 0.438 92 S N 0.618 116.336 115.700 0.029 0.000 2.624 92 S HA 0.574 5.044 4.470 -0.000 0.000 0.263 92 S C 0.296 174.923 174.600 0.046 0.000 1.287 92 S CA -0.754 57.465 58.200 0.032 0.000 0.990 92 S CB 1.121 64.342 63.200 0.036 0.000 0.950 92 S HN 0.249 nan 8.310 nan 0.000 0.561 93 I N 1.306 121.903 120.570 0.044 0.000 2.389 93 I HA 0.391 4.561 4.170 -0.000 0.000 0.288 93 I C -0.120 176.034 176.117 0.063 0.000 0.999 93 I CA -0.673 60.658 61.300 0.052 0.000 1.129 93 I CB 1.658 39.675 38.000 0.029 0.000 1.288 93 I HN 0.493 nan 8.210 nan 0.000 0.444 94 K N 5.576 126.032 120.400 0.094 0.000 2.138 94 K HA 0.652 4.972 4.320 -0.000 0.000 0.263 94 K C -0.971 175.668 176.600 0.066 0.000 0.965 94 K CA -0.707 55.651 56.287 0.119 0.000 0.868 94 K CB 2.748 35.373 32.500 0.207 0.000 1.083 94 K HN 0.249 nan 8.250 nan 0.000 0.443 95 V N 4.684 124.611 119.914 0.023 0.000 2.487 95 V HA 0.524 4.644 4.120 -0.000 0.000 0.298 95 V C -0.749 175.341 176.094 -0.006 0.000 1.028 95 V CA -0.856 61.371 62.300 -0.122 0.000 0.860 95 V CB 0.765 32.471 31.823 -0.194 0.000 0.991 95 V HN 0.693 nan 8.190 nan 0.000 0.427 96 F N 3.236 123.154 119.950 -0.053 0.000 2.613 96 F HA 0.814 5.341 4.527 -0.000 0.000 0.314 96 F C -0.954 174.886 175.800 0.066 0.000 1.075 96 F CA -1.704 56.314 58.000 0.029 0.000 0.945 96 F CB 1.368 40.366 39.000 -0.003 0.000 1.310 96 F HN 0.351 nan 8.300 nan 0.000 0.467 97 L N 2.757 124.245 121.223 0.441 0.000 2.455 97 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 97 L C 0.407 177.361 176.870 0.141 0.000 1.174 97 L CA 0.315 55.317 54.840 0.269 0.000 0.869 97 L CB -0.006 42.144 42.059 0.153 0.000 1.130 97 L HN 0.762 nan 8.230 nan 0.000 0.474 98 N N 5.210 123.894 118.700 -0.027 0.000 3.178 98 N HA 0.089 4.829 4.740 -0.000 0.000 0.300 98 N C -1.138 174.342 175.510 -0.049 0.000 1.242 98 N CA 0.257 53.251 53.050 -0.094 0.000 1.192 98 N CB -0.324 38.038 38.487 -0.208 0.000 1.463 98 N HN 0.704 nan 8.380 nan 0.000 0.539 99 Q N 1.516 121.309 119.800 -0.012 0.000 2.313 99 Q HA 0.150 4.490 4.340 -0.000 0.000 0.255 99 Q C -1.395 174.616 176.000 0.018 0.000 0.944 99 Q CA -0.627 55.177 55.803 0.003 0.000 0.881 99 Q CB 0.974 29.719 28.738 0.012 0.000 1.375 99 Q HN 0.376 nan 8.270 nan 0.000 0.422 100 C N 4.030 123.356 119.300 0.044 0.000 2.653 100 C HA 0.273 4.733 4.460 -0.000 0.000 0.421 100 C C 1.411 176.501 174.990 0.166 0.000 1.334 100 C CA 0.030 59.133 59.018 0.142 0.000 1.885 100 C CB -0.169 27.683 27.740 0.188 0.000 2.645 100 C HN 0.952 nan 8.230 nan 0.000 0.601 101 R N 2.167 122.848 120.500 0.301 0.000 2.310 101 R HA -0.002 4.338 4.340 -0.000 0.000 0.202 101 R C 1.862 178.291 176.300 0.215 0.000 0.933 101 R CA 0.158 56.460 56.100 0.336 0.000 1.054 101 R CB -0.286 30.361 30.300 0.579 0.000 0.985 101 R HN 0.854 nan 8.270 nan 0.000 0.489 102 H N 0.431 119.356 119.070 -0.242 0.000 2.265 102 H HA 0.011 4.567 4.556 -0.000 0.000 0.305 102 H C 0.942 176.104 175.328 -0.277 0.000 1.054 102 H CA 1.291 56.974 56.048 -0.607 0.000 1.296 102 H CB 0.521 29.385 29.762 -1.496 0.000 1.395 102 H HN -0.079 nan 8.280 nan 0.000 0.502 103 R N -0.800 119.487 120.500 -0.356 0.000 2.600 103 R HA 0.179 4.519 4.340 -0.000 0.000 0.392 103 R C 0.331 176.635 176.300 0.006 0.000 1.032 103 R CA 0.595 56.562 56.100 -0.222 0.000 1.139 103 R CB 0.608 30.750 30.300 -0.264 0.000 1.400 103 R HN 0.698 nan 8.270 nan 0.000 0.566 104 G N 0.439 109.257 108.800 0.029 0.000 2.175 104 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.244 104 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.244 104 G C 0.090 175.025 174.900 0.059 0.000 0.982 104 G CA 0.282 45.410 45.100 0.047 0.000 0.641 104 G HN 0.276 nan 8.290 nan 0.000 0.527 105 M N 1.294 120.953 119.600 0.099 0.000 2.252 105 M HA 0.460 4.940 4.480 -0.000 0.000 0.333 105 M C 0.908 177.235 176.300 0.045 0.000 1.111 105 M CA -0.703 54.644 55.300 0.078 0.000 1.140 105 M CB 0.319 33.001 32.600 0.137 0.000 1.538 105 M HN 0.317 nan 8.290 nan 0.000 0.448 106 R N 4.013 124.523 120.500 0.016 0.000 2.458 106 R HA 0.094 4.434 4.340 -0.000 0.000 0.303 106 R C 0.455 176.757 176.300 0.003 0.000 1.013 106 R CA 0.172 56.267 56.100 -0.007 0.000 1.026 106 R CB -0.011 30.282 30.300 -0.012 0.000 0.948 106 R HN 0.931 nan 8.270 nan 0.000 0.417 107 I N 2.906 123.453 120.570 -0.037 0.000 2.400 107 I HA -0.099 4.070 4.170 -0.000 0.000 0.248 107 I C 0.924 177.026 176.117 -0.024 0.000 1.109 107 I CA 0.451 61.733 61.300 -0.029 0.000 1.425 107 I CB 0.191 38.086 38.000 -0.174 0.000 1.094 107 I HN 0.528 nan 8.210 nan 0.000 0.425 108 C N 2.204 121.415 119.300 -0.148 0.000 2.264 108 C HA 0.386 4.846 4.460 -0.000 0.000 0.324 108 C C 1.362 176.310 174.990 -0.070 0.000 1.267 108 C CA -0.536 58.377 59.018 -0.174 0.000 1.618 108 C CB -0.209 27.220 27.740 -0.519 0.000 2.278 108 C HN 0.369 nan 8.230 nan 0.000 0.499 109 R N 2.993 123.504 120.500 0.019 0.000 2.472 109 R HA 0.175 4.515 4.340 -0.000 0.000 0.279 109 R C 0.544 176.902 176.300 0.096 0.000 0.953 109 R CA 0.042 56.172 56.100 0.051 0.000 1.088 109 R CB 0.457 30.790 30.300 0.054 0.000 1.197 109 R HN 0.786 nan 8.270 nan 0.000 0.536 110 S N -1.150 114.647 115.700 0.162 0.000 2.600 110 S HA 0.253 4.723 4.470 -0.000 0.000 0.300 110 S C 0.218 174.978 174.600 0.267 0.000 1.087 110 S CA -0.895 57.435 58.200 0.216 0.000 0.965 110 S CB 2.178 65.547 63.200 0.282 0.000 1.089 110 S HN -0.144 nan 8.310 nan 0.000 0.496 111 D N 1.197 121.694 120.400 0.160 0.000 2.144 111 D HA 0.275 4.915 4.640 -0.000 0.000 0.199 111 D C 0.763 177.108 176.300 0.076 0.000 0.984 111 D CA 1.845 55.903 54.000 0.097 0.000 0.834 111 D CB -0.119 40.678 40.800 -0.005 0.000 0.955 111 D HN 0.882 nan 8.370 nan 0.000 0.465 112 A N -1.635 121.170 122.820 -0.024 0.000 2.583 112 A HA 0.645 4.965 4.320 -0.000 0.000 0.292 112 A C -0.122 177.036 177.584 -0.710 0.000 1.045 112 A CA -0.028 51.758 52.037 -0.420 0.000 0.672 112 A CB 1.230 20.074 19.000 -0.260 0.000 1.283 112 A HN 0.324 nan 8.150 nan 0.000 0.419 113 G N 0.301 108.370 108.800 -1.217 0.000 2.368 113 G HA2 0.384 4.344 3.960 -0.000 0.000 0.269 113 G HA3 0.384 4.344 3.960 -0.000 0.000 0.269 113 G C -1.727 172.807 174.900 -0.609 0.000 1.291 113 G CA -0.069 44.609 45.100 -0.704 0.000 0.903 113 G HN 1.196 nan 8.290 nan 0.000 0.483 114 N N 0.425 119.071 118.700 -0.089 0.000 2.314 114 N HA 0.643 5.383 4.740 -0.000 0.000 0.294 114 N C -0.529 175.146 175.510 0.274 0.000 1.029 114 N CA 0.189 53.305 53.050 0.111 0.000 0.845 114 N CB 1.963 40.474 38.487 0.039 0.000 1.321 114 N HN 1.078 nan 8.380 nan 0.000 0.481 115 A N 3.006 125.987 122.820 0.269 0.000 2.350 115 A HA 0.444 4.764 4.320 -0.000 0.000 0.324 115 A C 0.567 178.074 177.584 -0.129 0.000 1.118 115 A CA -0.551 51.463 52.037 -0.039 0.000 0.783 115 A CB 1.230 19.906 19.000 -0.540 0.000 1.236 115 A HN 0.675 nan 8.150 nan 0.000 0.457 116 K N 0.267 120.582 120.400 -0.142 0.000 2.361 116 K HA 0.417 4.737 4.320 -0.000 0.000 0.196 116 K C 0.483 176.984 176.600 -0.165 0.000 1.039 116 K CA 1.250 57.471 56.287 -0.110 0.000 1.001 116 K CB 0.352 32.816 32.500 -0.059 0.000 0.795 116 K HN 0.988 nan 8.250 nan 0.000 0.495 117 A N 0.046 122.682 122.820 -0.308 0.000 2.544 117 A HA 0.646 4.966 4.320 -0.000 0.000 0.291 117 A C -1.761 175.532 177.584 -0.484 0.000 1.055 117 A CA -0.825 51.045 52.037 -0.278 0.000 0.651 117 A CB 0.414 19.366 19.000 -0.079 0.000 1.296 117 A HN 0.014 nan 8.150 nan 0.000 0.431 118 F N 0.601 120.623 119.950 0.120 0.000 2.493 118 F HA 0.638 5.165 4.527 -0.000 0.000 0.329 118 F C 0.364 176.308 175.800 0.239 0.000 1.126 118 F CA -0.266 57.811 58.000 0.129 0.000 0.937 118 F CB 2.946 42.013 39.000 0.112 0.000 1.146 118 F HN 0.425 nan 8.300 nan 0.000 0.442 119 T N 1.765 116.532 114.554 0.356 0.000 2.824 119 T HA 0.195 4.545 4.350 -0.000 0.000 0.282 119 T C -0.857 174.036 174.700 0.321 0.000 0.993 119 T CA -0.545 61.752 62.100 0.328 0.000 0.967 119 T CB 1.451 70.436 68.868 0.195 0.000 0.960 119 T HN 0.747 nan 8.240 nan 0.000 0.441 120 C N 3.849 123.385 119.300 0.394 0.000 2.627 120 C HA 0.253 4.713 4.460 -0.000 0.000 0.404 120 C C 2.162 177.290 174.990 0.230 0.000 1.340 120 C CA 0.055 59.260 59.018 0.312 0.000 1.758 120 C CB -1.086 26.890 27.740 0.393 0.000 2.501 120 C HN 1.075 nan 8.230 nan 0.000 0.588 121 S N 4.392 120.191 115.700 0.165 0.000 2.515 121 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 121 S C 1.468 176.141 174.600 0.121 0.000 0.987 121 S CA 0.749 59.021 58.200 0.119 0.000 0.936 121 S CB -0.445 62.797 63.200 0.071 0.000 0.766 121 S HN 0.944 nan 8.310 nan 0.000 0.528 122 Y N 1.816 122.078 120.300 -0.063 0.000 2.109 122 Y HA -0.078 4.472 4.550 -0.000 0.000 0.281 122 Y C 1.554 177.205 175.900 -0.415 0.000 1.113 122 Y CA 1.330 59.254 58.100 -0.293 0.000 1.098 122 Y CB 0.157 38.401 38.460 -0.360 0.000 0.996 122 Y HN 0.436 nan 8.280 nan 0.000 0.485 123 H N -1.442 117.726 119.070 0.163 0.000 2.649 123 H HA 0.300 4.856 4.556 -0.000 0.000 0.258 123 H C 0.877 176.324 175.328 0.198 0.000 1.165 123 H CA 0.352 56.448 56.048 0.080 0.000 1.006 123 H CB 0.837 30.532 29.762 -0.110 0.000 1.743 123 H HN 0.528 nan 8.280 nan 0.000 0.609 124 G N 0.044 109.019 108.800 0.291 0.000 2.184 124 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.264 124 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.264 124 G C -0.201 174.899 174.900 0.334 0.000 0.975 124 G CA -0.192 45.071 45.100 0.272 0.000 0.642 124 G HN 0.260 nan 8.290 nan 0.000 0.536 125 W N 1.118 122.470 121.300 0.087 0.000 2.347 125 W HA 0.544 5.204 4.660 -0.000 0.000 0.333 125 W C 0.608 177.060 176.519 -0.111 0.000 1.383 125 W CA -0.018 57.301 57.345 -0.043 0.000 1.283 125 W CB 0.089 29.566 29.460 0.029 0.000 1.253 125 W HN 0.705 nan 8.180 nan 0.000 0.563 126 A N 4.924 127.632 122.820 -0.187 0.000 2.337 126 A HA 0.837 5.157 4.320 -0.000 0.000 0.329 126 A C -1.869 175.448 177.584 -0.446 0.000 1.146 126 A CA -0.572 51.376 52.037 -0.150 0.000 0.800 126 A CB 0.854 19.813 19.000 -0.068 0.000 1.220 126 A HN 0.481 nan 8.150 nan 0.000 0.472 127 Y N 0.864 121.226 120.300 0.103 0.000 2.477 127 Y HA 0.424 4.974 4.550 -0.000 0.000 0.347 127 Y C 0.136 176.084 175.900 0.079 0.000 0.981 127 Y CA -1.017 57.130 58.100 0.078 0.000 1.033 127 Y CB 1.785 40.306 38.460 0.101 0.000 1.245 127 Y HN 0.864 nan 8.280 nan 0.000 0.455 128 D N 1.243 121.744 120.400 0.167 0.000 2.433 128 D HA 0.066 4.706 4.640 -0.000 0.000 0.255 128 D C 1.127 177.558 176.300 0.217 0.000 1.226 128 D CA -0.459 53.611 54.000 0.117 0.000 1.015 128 D CB 0.576 41.409 40.800 0.055 0.000 1.091 128 D HN 0.634 nan 8.370 nan 0.000 0.527 129 I N -3.949 116.721 120.570 0.166 0.000 3.176 129 I HA 0.085 4.255 4.170 -0.000 0.000 0.275 129 I C 1.569 177.915 176.117 0.381 0.000 1.298 129 I CA 0.763 62.254 61.300 0.319 0.000 1.445 129 I CB -0.343 37.758 38.000 0.168 0.000 1.075 129 I HN 0.304 nan 8.210 nan 0.000 0.482 130 A N 1.349 124.297 122.820 0.213 0.000 2.178 130 A HA 0.440 4.760 4.320 -0.000 0.000 0.211 130 A C 1.990 179.565 177.584 -0.015 0.000 1.157 130 A CA 0.662 52.792 52.037 0.155 0.000 0.780 130 A CB -0.552 18.499 19.000 0.086 0.000 0.828 130 A HN 0.819 nan 8.150 nan 0.000 0.476 131 G N -0.572 108.097 108.800 -0.217 0.000 2.157 131 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.239 131 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.239 131 G C 0.188 174.943 174.900 -0.241 0.000 0.982 131 G CA 0.389 44.988 45.100 -0.834 0.000 0.650 131 G HN 0.769 nan 8.290 nan 0.000 0.527 132 K N 0.643 121.027 120.400 -0.027 0.000 2.297 132 K HA 0.545 4.865 4.320 -0.000 0.000 0.286 132 K C 0.445 177.083 176.600 0.064 0.000 1.053 132 K CA -0.963 55.343 56.287 0.030 0.000 0.940 132 K CB 0.491 32.987 32.500 -0.007 0.000 1.019 132 K HN 0.189 nan 8.250 nan 0.000 0.475 133 L N 6.934 128.171 121.223 0.023 0.000 2.565 133 L HA 0.001 4.341 4.340 -0.000 0.000 0.275 133 L C 0.468 177.183 176.870 -0.258 0.000 1.137 133 L CA 0.457 55.131 54.840 -0.276 0.000 0.915 133 L CB 0.840 42.764 42.059 -0.225 0.000 1.232 133 L HN 0.642 nan 8.230 nan 0.000 0.473 134 V N 1.477 121.231 119.914 -0.268 0.000 3.661 134 V HA 0.395 4.515 4.120 -0.000 0.000 0.271 134 V C 0.575 176.542 176.094 -0.212 0.000 1.315 134 V CA 0.001 62.188 62.300 -0.188 0.000 1.072 134 V CB -0.350 31.405 31.823 -0.113 0.000 0.830 134 V HN 0.840 nan 8.190 nan 0.000 0.443 135 N N -0.072 118.455 118.700 -0.288 0.000 2.406 135 N HA 0.439 5.179 4.740 -0.000 0.000 0.283 135 N C -2.060 173.215 175.510 -0.392 0.000 1.074 135 N CA -0.110 52.778 53.050 -0.270 0.000 0.916 135 N CB 3.060 41.441 38.487 -0.177 0.000 1.639 135 N HN 0.042 nan 8.380 nan 0.000 0.485 136 V N 4.409 124.068 119.914 -0.424 0.000 2.376 136 V HA 0.401 4.521 4.120 -0.000 0.000 0.287 136 V C -2.168 173.787 176.094 -0.230 0.000 1.015 136 V CA -1.632 60.330 62.300 -0.564 0.000 0.834 136 V CB 1.585 32.821 31.823 -0.980 0.000 1.001 136 V HN 0.572 nan 8.190 nan 0.000 0.428 137 P HA 0.210 nan 4.420 nan 0.000 0.265 137 P C 0.104 177.460 177.300 0.092 0.000 1.193 137 P CA 0.299 63.358 63.100 -0.068 0.000 0.765 137 P CB -0.033 31.691 31.700 0.040 0.000 0.823 138 F N -0.684 119.277 119.950 0.019 0.000 3.018 138 F HA -0.248 4.279 4.527 -0.000 0.000 0.287 138 F C 1.643 177.481 175.800 0.063 0.000 0.813 138 F CA 0.781 58.795 58.000 0.025 0.000 1.209 138 F CB -1.637 37.372 39.000 0.015 0.000 1.321 138 F HN 0.413 nan 8.300 nan 0.000 0.477 139 E N 1.174 121.467 120.200 0.154 0.000 2.028 139 E HA -0.245 4.105 4.350 -0.000 0.000 0.191 139 E C 2.474 179.170 176.600 0.160 0.000 0.988 139 E CA 1.812 58.313 56.400 0.167 0.000 0.799 139 E CB 0.002 29.669 29.700 -0.055 0.000 0.755 139 E HN 0.561 nan 8.360 nan 0.000 0.447 140 K N 1.049 121.500 120.400 0.086 0.000 2.044 140 K HA -0.261 4.059 4.320 -0.000 0.000 0.210 140 K C 1.854 178.503 176.600 0.081 0.000 1.049 140 K CA 2.147 58.477 56.287 0.071 0.000 0.927 140 K CB -1.074 31.451 32.500 0.040 0.000 0.713 140 K HN 0.205 nan 8.250 nan 0.000 0.443 141 E N -0.558 119.706 120.200 0.107 0.000 2.051 141 E HA 0.062 4.412 4.350 -0.000 0.000 0.192 141 E C 2.086 178.693 176.600 0.012 0.000 0.991 141 E CA 1.607 58.057 56.400 0.082 0.000 0.799 141 E CB -0.052 29.743 29.700 0.159 0.000 0.748 141 E HN 0.618 nan 8.360 nan 0.000 0.449 142 A N -1.223 121.595 122.820 -0.003 0.000 2.324 142 A HA 0.298 4.618 4.320 -0.000 0.000 0.220 142 A C 0.256 177.593 177.584 -0.412 0.000 1.209 142 A CA -0.228 51.685 52.037 -0.207 0.000 0.918 142 A CB 0.296 19.127 19.000 -0.282 0.000 0.959 142 A HN 0.079 nan 8.150 nan 0.000 0.507 154 D N 5.086 125.068 120.400 -0.698 0.000 2.696 154 D HA 0.367 5.007 4.640 -0.000 0.000 0.251 154 D C 0.181 176.045 176.300 -0.727 0.000 1.188 154 D CA -0.466 53.211 54.000 -0.539 0.000 0.876 154 D CB 2.017 42.682 40.800 -0.225 0.000 1.334 154 D HN 0.620 nan 8.370 nan 0.000 0.540 155 K N 1.984 121.998 120.400 -0.644 0.000 2.147 155 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 155 K C 1.730 178.190 176.600 -0.234 0.000 1.049 155 K CA 1.148 57.163 56.287 -0.452 0.000 0.936 155 K CB 0.003 32.299 32.500 -0.340 0.000 0.722 155 K HN 0.450 nan 8.250 nan 0.000 0.446 156 A N 1.614 124.310 122.820 -0.206 0.000 2.139 156 A HA -0.200 4.120 4.320 -0.000 0.000 0.221 156 A C 1.425 178.917 177.584 -0.153 0.000 1.159 156 A CA 1.514 53.465 52.037 -0.143 0.000 0.662 156 A CB -0.249 18.677 19.000 -0.123 0.000 0.796 156 A HN 0.360 nan 8.150 nan 0.000 0.463 157 E N -3.226 116.844 120.200 -0.217 0.000 2.498 157 E HA 0.065 4.415 4.350 -0.000 0.000 0.203 157 E C -0.095 176.180 176.600 -0.541 0.000 1.013 157 E CA -0.210 55.979 56.400 -0.352 0.000 0.927 157 E CB 0.195 29.648 29.700 -0.412 0.000 1.012 157 E HN 0.848 nan 8.360 nan 0.000 0.482 158 W N 0.784 122.025 121.300 -0.098 0.000 2.407 158 W HA 0.327 4.987 4.660 -0.000 0.000 0.370 158 W C 0.786 177.414 176.519 0.181 0.000 0.928 158 W CA -0.671 56.712 57.345 0.062 0.000 2.005 158 W CB 0.926 30.450 29.460 0.106 0.000 1.171 158 W HN -0.072 nan 8.180 nan 0.000 0.572 159 G N 2.098 111.039 108.800 0.235 0.000 2.539 159 G HA2 0.400 4.360 3.960 -0.000 0.000 0.258 159 G HA3 0.400 4.360 3.960 -0.000 0.000 0.258 159 G C -2.157 172.839 174.900 0.161 0.000 1.202 159 G CA -0.914 44.342 45.100 0.259 0.000 0.851 159 G HN -0.268 nan 8.290 nan 0.000 0.556 160 P HA 0.109 nan 4.420 nan 0.000 0.272 160 P C -0.063 177.296 177.300 0.098 0.000 1.223 160 P CA -0.630 62.510 63.100 0.065 0.000 0.784 160 P CB 1.040 32.749 31.700 0.014 0.000 0.923 161 L N 2.566 123.857 121.223 0.115 0.000 2.499 161 L HA 0.008 4.348 4.340 -0.000 0.000 0.273 161 L C 0.470 177.560 176.870 0.366 0.000 1.195 161 L CA 0.785 55.717 54.840 0.153 0.000 0.882 161 L CB -0.278 41.786 42.059 0.009 0.000 1.133 161 L HN 0.270 nan 8.230 nan 0.000 0.483 162 Q N 3.748 123.733 119.800 0.308 0.000 2.259 162 Q HA 0.588 4.928 4.340 -0.000 0.000 0.246 162 Q C -0.498 175.672 176.000 0.283 0.000 0.920 162 Q CA -0.149 55.826 55.803 0.287 0.000 0.895 162 Q CB 1.657 30.492 28.738 0.161 0.000 1.220 162 Q HN 0.846 nan 8.270 nan 0.000 0.439 163 A N 2.548 125.363 122.820 -0.007 0.000 2.320 163 A HA 0.590 4.910 4.320 -0.000 0.000 0.334 163 A C -0.315 177.166 177.584 -0.171 0.000 1.147 163 A CA -0.672 51.167 52.037 -0.329 0.000 0.820 163 A CB 0.819 19.227 19.000 -0.986 0.000 1.218 163 A HN 0.688 nan 8.150 nan 0.000 0.482 164 R N -0.017 120.363 120.500 -0.201 0.000 2.537 164 R HA 0.414 4.754 4.340 -0.000 0.000 0.280 164 R C -1.021 175.296 176.300 0.028 0.000 1.058 164 R CA 0.024 56.078 56.100 -0.077 0.000 1.057 164 R CB 0.623 30.846 30.300 -0.128 0.000 0.973 164 R HN 0.399 nan 8.270 nan 0.000 0.438 165 V N 2.017 122.027 119.914 0.160 0.000 2.487 165 V HA 0.699 4.819 4.120 -0.000 0.000 0.298 165 V C -0.368 175.864 176.094 0.231 0.000 1.028 165 V CA -0.747 61.671 62.300 0.197 0.000 0.860 165 V CB 1.604 33.477 31.823 0.084 0.000 0.991 165 V HN 0.934 nan 8.190 nan 0.000 0.427 166 A N 3.095 126.057 122.820 0.236 0.000 2.475 166 A HA 0.889 5.209 4.320 -0.000 0.000 0.301 166 A C -0.451 177.164 177.584 0.052 0.000 1.059 166 A CA -0.580 51.457 52.037 -0.000 0.000 0.710 166 A CB 2.132 20.878 19.000 -0.423 0.000 1.288 166 A HN 0.628 nan 8.150 nan 0.000 0.408 167 T N 1.519 116.081 114.554 0.015 0.000 2.809 167 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 167 T C -1.494 173.245 174.700 0.065 0.000 0.992 167 T CA 0.100 62.233 62.100 0.054 0.000 0.957 167 T CB 0.467 69.318 68.868 -0.027 0.000 0.942 167 T HN 0.460 nan 8.240 nan 0.000 0.439 168 Y N 3.762 124.087 120.300 0.041 0.000 2.417 168 Y HA 0.304 4.854 4.550 -0.000 0.000 0.336 168 Y C 0.678 176.574 175.900 -0.007 0.000 0.961 168 Y CA -0.656 57.437 58.100 -0.011 0.000 1.215 168 Y CB 0.295 38.734 38.460 -0.034 0.000 1.120 168 Y HN 0.690 nan 8.280 nan 0.000 0.499 169 K N 4.748 124.871 120.400 -0.463 0.000 3.177 169 K HA -0.291 4.029 4.320 -0.000 0.000 0.266 169 K C 0.919 177.407 176.600 -0.187 0.000 0.937 169 K CA 0.960 57.027 56.287 -0.367 0.000 0.702 169 K CB -1.594 30.602 32.500 -0.506 0.000 1.365 169 K HN 1.206 nan 8.250 nan 0.000 0.466 170 G N -0.718 107.944 108.800 -0.230 0.000 2.376 170 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.208 170 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.208 170 G C 0.117 174.647 174.900 -0.617 0.000 1.032 170 G CA -0.092 44.706 45.100 -0.503 0.000 0.641 170 G HN 0.178 nan 8.290 nan 0.000 0.503 171 L N 1.991 123.097 121.223 -0.196 0.000 2.349 171 L HA 0.586 4.926 4.340 -0.000 0.000 0.275 171 L C 0.422 177.246 176.870 -0.076 0.000 1.115 171 L CA -0.842 53.938 54.840 -0.099 0.000 0.820 171 L CB 1.632 43.731 42.059 0.066 0.000 1.135 171 L HN 0.016 nan 8.230 nan 0.000 0.445 172 V N 3.649 123.452 119.914 -0.185 0.000 2.394 172 V HA 0.403 4.523 4.120 -0.000 0.000 0.282 172 V C -0.197 175.757 176.094 -0.235 0.000 1.031 172 V CA -0.320 61.919 62.300 -0.102 0.000 0.881 172 V CB 1.040 32.818 31.823 -0.074 0.000 0.982 172 V HN 0.379 nan 8.190 nan 0.000 0.451 173 F N 2.181 122.172 119.950 0.067 0.000 2.575 173 F HA 0.896 5.423 4.527 -0.000 0.000 0.330 173 F C 0.385 176.348 175.800 0.272 0.000 1.056 173 F CA -0.580 57.524 58.000 0.174 0.000 0.964 173 F CB 2.078 41.181 39.000 0.172 0.000 1.258 173 F HN 0.586 nan 8.300 nan 0.000 0.484 174 A N 1.818 124.896 122.820 0.431 0.000 2.549 174 A HA 0.663 4.983 4.320 -0.000 0.000 0.297 174 A C -1.769 175.578 177.584 -0.395 0.000 1.061 174 A CA -0.628 51.426 52.037 0.029 0.000 0.690 174 A CB 1.883 20.748 19.000 -0.225 0.000 1.287 174 A HN 0.653 nan 8.150 nan 0.000 0.402 175 N N 0.658 118.863 118.700 -0.825 0.000 2.287 175 N HA 0.313 5.053 4.740 -0.000 0.000 0.289 175 N C -0.339 174.796 175.510 -0.625 0.000 1.066 175 N CA -0.537 51.950 53.050 -0.938 0.000 0.841 175 N CB 1.343 38.820 38.487 -1.683 0.000 1.599 175 N HN 0.701 nan 8.380 nan 0.000 0.476 176 W N 0.313 121.468 121.300 -0.242 0.000 2.453 176 W HA 0.115 4.775 4.660 -0.000 0.000 0.289 176 W C 0.653 177.095 176.519 -0.127 0.000 1.215 176 W CA -0.127 57.135 57.345 -0.138 0.000 1.297 176 W CB 0.148 29.563 29.460 -0.075 0.000 1.113 176 W HN 0.435 nan 8.180 nan 0.000 0.551 177 D N 0.829 121.277 120.400 0.081 0.000 2.358 177 D HA -0.000 4.640 4.640 -0.000 0.000 0.258 177 D C 1.335 177.616 176.300 -0.031 0.000 1.223 177 D CA 0.089 54.136 54.000 0.078 0.000 0.886 177 D CB 1.533 42.451 40.800 0.197 0.000 1.120 177 D HN 0.037 nan 8.370 nan 0.000 0.482 178 V N 2.007 121.927 119.914 0.009 0.000 3.305 178 V HA -0.057 4.063 4.120 -0.000 0.000 0.269 178 V C 1.407 177.480 176.094 -0.035 0.000 1.157 178 V CA 0.935 63.225 62.300 -0.017 0.000 1.157 178 V CB -0.104 31.726 31.823 0.011 0.000 0.772 178 V HN 0.407 nan 8.190 nan 0.000 0.498 179 Q N 0.457 120.246 119.800 -0.018 0.000 2.356 179 Q HA 0.455 4.795 4.340 -0.000 0.000 0.205 179 Q C 1.167 176.943 176.000 -0.372 0.000 0.901 179 Q CA 0.683 56.466 55.803 -0.033 0.000 0.938 179 Q CB 0.805 29.647 28.738 0.173 0.000 1.081 179 Q HN 0.798 nan 8.270 nan 0.000 0.517 180 A N 2.403 124.864 122.820 -0.600 0.000 2.346 180 A HA 0.413 4.733 4.320 -0.000 0.000 0.252 180 A C -2.147 175.029 177.584 -0.680 0.000 1.089 180 A CA -0.886 50.416 52.037 -1.226 0.000 0.797 180 A CB -0.355 18.210 19.000 -0.724 0.000 1.047 180 A HN -0.023 nan 8.150 nan 0.000 0.494 181 P HA 0.282 nan 4.420 nan 0.000 0.274 181 P C -0.764 176.588 177.300 0.086 0.000 1.237 181 P CA -0.371 62.588 63.100 -0.235 0.000 0.793 181 P CB 0.312 31.862 31.700 -0.250 0.000 0.977 182 D N 0.488 120.929 120.400 0.068 0.000 2.354 182 D HA -0.063 4.577 4.640 -0.000 0.000 0.238 182 D C 1.130 177.382 176.300 -0.079 0.000 1.250 182 D CA -0.434 53.628 54.000 0.104 0.000 0.911 182 D CB 0.177 40.974 40.800 -0.005 0.000 1.163 182 D HN 0.107 nan 8.370 nan 0.000 0.456 183 L N 0.026 120.901 121.223 -0.580 0.000 2.079 183 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 183 L C 1.978 178.582 176.870 -0.443 0.000 1.081 183 L CA 1.781 55.989 54.840 -1.054 0.000 0.752 183 L CB -0.756 40.503 42.059 -1.333 0.000 0.896 183 L HN 0.445 nan 8.230 nan 0.000 0.433 184 E N -0.645 119.397 120.200 -0.263 0.000 2.031 184 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 184 E C 2.084 178.635 176.600 -0.083 0.000 0.994 184 E CA 2.017 58.332 56.400 -0.142 0.000 0.800 184 E CB -0.739 28.915 29.700 -0.078 0.000 0.752 184 E HN 0.531 nan 8.360 nan 0.000 0.447 185 T N 0.868 115.384 114.554 -0.063 0.000 2.720 185 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 185 T C 1.781 176.471 174.700 -0.017 0.000 1.037 185 T CA 1.460 63.524 62.100 -0.061 0.000 1.144 185 T CB -0.546 68.260 68.868 -0.103 0.000 0.864 185 T HN 0.253 nan 8.240 nan 0.000 0.444 186 Y N 1.383 121.641 120.300 -0.070 0.000 2.224 186 Y HA -0.051 4.499 4.550 -0.000 0.000 0.289 186 Y C 1.965 178.035 175.900 0.283 0.000 1.146 186 Y CA 1.157 59.363 58.100 0.175 0.000 1.182 186 Y CB -0.263 38.343 38.460 0.243 0.000 0.983 186 Y HN 0.134 nan 8.280 nan 0.000 0.524 187 L N -1.016 120.286 121.223 0.133 0.000 2.068 187 L HA 0.111 4.451 4.340 -0.000 0.000 0.204 187 L C 1.998 178.880 176.870 0.020 0.000 1.076 187 L CA 0.619 55.399 54.840 -0.100 0.000 0.753 187 L CB -1.228 40.625 42.059 -0.343 0.000 0.910 187 L HN 0.482 nan 8.230 nan 0.000 0.439 188 G N 1.542 110.365 108.800 0.038 0.000 2.574 188 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.286 188 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.286 188 G C 0.383 175.356 174.900 0.121 0.000 1.212 188 G CA 0.421 45.583 45.100 0.104 0.000 0.979 188 G HN 0.534 nan 8.290 nan 0.000 0.557 189 D N 1.436 121.973 120.400 0.228 0.000 2.352 189 D HA 0.400 5.040 4.640 -0.000 0.000 0.232 189 D C 1.916 178.375 176.300 0.265 0.000 1.055 189 D CA 1.554 55.702 54.000 0.247 0.000 0.891 189 D CB -0.408 40.583 40.800 0.319 0.000 0.897 189 D HN 1.000 nan 8.370 nan 0.000 0.529 190 A N 0.536 123.529 122.820 0.289 0.000 2.081 190 A HA 0.046 4.366 4.320 -0.000 0.000 0.214 190 A C 2.229 179.840 177.584 0.046 0.000 1.158 190 A CA 0.067 52.243 52.037 0.231 0.000 0.724 190 A CB -0.284 18.925 19.000 0.348 0.000 0.826 190 A HN 0.095 nan 8.150 nan 0.000 0.463 191 R N 0.103 120.569 120.500 -0.056 0.000 2.119 191 R HA -0.167 4.173 4.340 -0.000 0.000 0.246 191 R C -0.787 175.500 176.300 -0.022 0.000 1.146 191 R CA 2.076 58.105 56.100 -0.120 0.000 0.962 191 R CB -1.629 28.604 30.300 -0.113 0.000 0.863 191 R HN 0.364 nan 8.270 nan 0.000 0.442 192 P HA -0.197 nan 4.420 nan 0.000 0.217 192 P C 0.595 177.664 177.300 -0.386 0.000 1.151 192 P CA 1.543 64.453 63.100 -0.317 0.000 0.849 192 P CB -0.062 31.301 31.700 -0.563 0.000 0.787 193 Y N -2.394 117.794 120.300 -0.187 0.000 2.475 193 Y HA 0.079 4.629 4.550 -0.000 0.000 0.289 193 Y C 2.412 178.354 175.900 0.071 0.000 1.121 193 Y CA 0.574 58.583 58.100 -0.153 0.000 1.257 193 Y CB -0.818 37.489 38.460 -0.256 0.000 1.026 193 Y HN -0.126 nan 8.280 nan 0.000 0.555 194 M N -0.398 119.360 119.600 0.263 0.000 2.200 194 M HA -0.165 4.315 4.480 -0.000 0.000 0.265 194 M C 1.222 177.653 176.300 0.219 0.000 1.066 194 M CA 1.360 56.843 55.300 0.306 0.000 1.127 194 M CB -0.162 32.577 32.600 0.232 0.000 1.379 194 M HN 0.063 nan 8.290 nan 0.000 0.420 195 D N 0.257 120.763 120.400 0.177 0.000 2.218 195 D HA -0.111 4.529 4.640 -0.000 0.000 0.204 195 D C 2.070 178.409 176.300 0.065 0.000 0.976 195 D CA 1.043 55.118 54.000 0.124 0.000 0.853 195 D CB -0.230 40.629 40.800 0.098 0.000 0.939 195 D HN 0.130 nan 8.370 nan 0.000 0.481 196 V N 1.060 121.006 119.914 0.054 0.000 2.392 196 V HA -0.258 3.862 4.120 -0.000 0.000 0.249 196 V C 2.328 178.547 176.094 0.208 0.000 1.059 196 V CA 1.755 64.096 62.300 0.068 0.000 1.051 196 V CB -0.416 31.451 31.823 0.074 0.000 0.658 196 V HN 0.294 nan 8.190 nan 0.000 0.455 197 M N -1.409 118.344 119.600 0.255 0.000 2.357 197 M HA 0.033 4.513 4.480 -0.000 0.000 0.266 197 M C 1.855 178.252 176.300 0.161 0.000 1.095 197 M CA 1.785 57.259 55.300 0.289 0.000 1.156 197 M CB 0.148 32.871 32.600 0.205 0.000 1.365 197 M HN 0.220 nan 8.290 nan 0.000 0.447 198 L N -0.781 120.501 121.223 0.097 0.000 2.286 198 L HA 0.105 4.445 4.340 -0.000 0.000 0.203 198 L C 0.998 177.879 176.870 0.018 0.000 1.068 198 L CA 0.437 55.306 54.840 0.049 0.000 0.811 198 L CB -0.123 41.961 42.059 0.041 0.000 0.989 198 L HN 0.166 nan 8.230 nan 0.000 0.467 199 D N -0.228 120.181 120.400 0.014 0.000 2.460 199 D HA 0.036 4.676 4.640 -0.000 0.000 0.229 199 D C 1.824 178.112 176.300 -0.021 0.000 1.170 199 D CA 0.096 54.086 54.000 -0.016 0.000 0.827 199 D CB 0.283 41.081 40.800 -0.003 0.000 0.973 199 D HN 0.002 nan 8.370 nan 0.000 0.496 200 R N -0.751 119.738 120.500 -0.018 0.000 2.075 200 R HA 0.019 4.359 4.340 -0.000 0.000 0.232 200 R C 0.732 177.005 176.300 -0.045 0.000 1.126 200 R CA 1.088 57.157 56.100 -0.052 0.000 0.963 200 R CB -0.048 30.222 30.300 -0.051 0.000 0.858 200 R HN 0.229 nan 8.270 nan 0.000 0.435 201 T N -2.168 112.374 114.554 -0.019 0.000 2.907 201 T HA 0.299 4.649 4.350 -0.000 0.000 0.292 201 T C -2.227 172.459 174.700 -0.023 0.000 1.043 201 T CA -1.959 60.131 62.100 -0.017 0.000 1.003 201 T CB 2.390 71.263 68.868 0.007 0.000 1.084 201 T HN -0.159 nan 8.240 nan 0.000 0.483 202 P HA 0.090 nan 4.420 nan 0.000 0.225 202 P C 1.451 178.735 177.300 -0.027 0.000 1.156 202 P CA 0.493 63.573 63.100 -0.033 0.000 0.787 202 P CB -0.243 31.437 31.700 -0.033 0.000 0.802 203 A N -0.038 122.773 122.820 -0.015 0.000 2.015 203 A HA 0.339 4.659 4.320 -0.000 0.000 0.219 203 A C 1.289 178.869 177.584 -0.006 0.000 1.163 203 A CA 1.351 53.383 52.037 -0.009 0.000 0.646 203 A CB -1.318 17.683 19.000 0.001 0.000 0.806 203 A HN 0.428 nan 8.150 nan 0.000 0.448 204 G N -2.018 106.779 108.800 -0.005 0.000 2.655 204 G HA2 0.177 4.137 3.960 -0.000 0.000 0.680 204 G HA3 0.177 4.137 3.960 -0.000 0.000 0.680 204 G C -0.056 174.856 174.900 0.020 0.000 1.302 204 G CA -0.165 44.938 45.100 0.004 0.000 0.872 204 G HN 1.377 nan 8.290 nan 0.000 0.540 205 T N -2.594 111.990 114.554 0.049 0.000 2.913 205 T HA 0.705 5.055 4.350 -0.000 0.000 0.287 205 T C 0.161 174.832 174.700 -0.048 0.000 1.008 205 T CA -0.030 62.075 62.100 0.009 0.000 1.067 205 T CB 2.047 70.933 68.868 0.029 0.000 0.996 205 T HN 2.012 nan 8.240 nan 0.000 0.513 206 V N 0.974 120.772 119.914 -0.193 0.000 2.769 206 V HA 0.762 4.882 4.120 -0.000 0.000 0.312 206 V C -0.058 175.762 176.094 -0.457 0.000 1.061 206 V CA -0.967 61.138 62.300 -0.327 0.000 0.931 206 V CB 1.426 33.153 31.823 -0.161 0.000 1.010 206 V HN 1.390 nan 8.190 nan 0.000 0.433 207 A N 6.623 129.071 122.820 -0.619 0.000 2.363 207 A HA 0.628 4.948 4.320 -0.000 0.000 0.270 207 A C 0.018 177.488 177.584 -0.190 0.000 1.121 207 A CA -0.422 51.383 52.037 -0.386 0.000 0.800 207 A CB 0.034 18.693 19.000 -0.569 0.000 1.052 207 A HN 0.833 nan 8.150 nan 0.000 0.493 208 I N 1.908 122.441 120.570 -0.062 0.000 2.754 208 I HA 0.139 4.309 4.170 -0.000 0.000 0.285 208 I C 1.479 177.617 176.117 0.035 0.000 1.166 208 I CA 0.195 61.490 61.300 -0.007 0.000 1.417 208 I CB 0.568 38.588 38.000 0.033 0.000 1.382 208 I HN 0.754 nan 8.210 nan 0.000 0.588 209 G N 3.369 112.184 108.800 0.026 0.000 2.441 209 G HA2 0.447 4.407 3.960 -0.000 0.000 0.243 209 G HA3 0.447 4.407 3.960 -0.000 0.000 0.243 209 G C 0.182 175.123 174.900 0.068 0.000 1.281 209 G CA 0.340 45.466 45.100 0.043 0.000 0.854 209 G HN 1.168 nan 8.290 nan 0.000 0.560 210 G N 0.255 109.095 108.800 0.067 0.000 3.355 210 G HA2 0.179 4.139 3.960 -0.000 0.000 0.686 210 G HA3 0.179 4.139 3.960 -0.000 0.000 0.686 210 G C -0.548 174.405 174.900 0.089 0.000 1.097 210 G CA -0.056 45.076 45.100 0.054 0.000 0.881 210 G HN 1.085 nan 8.290 nan 0.000 0.550 211 M N 2.480 122.090 119.600 0.016 0.000 2.085 211 M HA 0.499 4.979 4.480 -0.000 0.000 0.309 211 M C 0.255 176.550 176.300 -0.008 0.000 0.947 211 M CA -0.677 54.637 55.300 0.023 0.000 0.918 211 M CB 0.991 33.515 32.600 -0.127 0.000 1.504 211 M HN 0.617 nan 8.290 nan 0.000 0.420 212 Q N 3.916 123.792 119.800 0.127 0.000 2.314 212 Q HA 0.362 4.702 4.340 -0.000 0.000 0.258 212 Q C -1.126 174.977 176.000 0.172 0.000 0.954 212 Q CA 0.164 56.086 55.803 0.199 0.000 0.890 212 Q CB 1.139 30.107 28.738 0.383 0.000 1.210 212 Q HN 0.505 nan 8.270 nan 0.000 0.410 213 K N 2.381 122.852 120.400 0.118 0.000 2.397 213 K HA 0.601 4.921 4.320 -0.000 0.000 0.253 213 K C -1.462 175.355 176.600 0.361 0.000 0.932 213 K CA -0.655 55.629 56.287 -0.006 0.000 0.795 213 K CB 1.483 33.708 32.500 -0.459 0.000 1.159 213 K HN 0.645 nan 8.250 nan 0.000 0.424 214 W N -0.142 121.252 121.300 0.157 0.000 3.075 214 W HA 0.613 5.273 4.660 -0.000 0.000 0.334 214 W C -1.854 174.803 176.519 0.230 0.000 1.243 214 W CA -1.103 56.346 57.345 0.173 0.000 1.170 214 W CB 0.470 30.024 29.460 0.157 0.000 1.452 214 W HN 0.099 nan 8.180 nan 0.000 0.572 215 V N 3.287 123.425 119.914 0.374 0.000 2.398 215 V HA 0.494 4.614 4.120 -0.000 0.000 0.286 215 V C -0.141 176.127 176.094 0.289 0.000 1.026 215 V CA -0.838 61.608 62.300 0.244 0.000 0.868 215 V CB 1.029 32.968 31.823 0.193 0.000 0.982 215 V HN 0.523 nan 8.190 nan 0.000 0.443 216 I N 6.747 127.455 120.570 0.228 0.000 2.418 216 I HA 0.379 4.549 4.170 -0.000 0.000 0.287 216 I C -2.333 173.884 176.117 0.167 0.000 1.008 216 I CA -2.039 59.415 61.300 0.256 0.000 1.104 216 I CB 2.890 41.104 38.000 0.357 0.000 1.264 216 I HN 0.424 nan 8.210 nan 0.000 0.438 217 P HA 0.100 nan 4.420 nan 0.000 0.244 217 P C -0.683 176.672 177.300 0.092 0.000 1.769 217 P CA -0.031 63.126 63.100 0.096 0.000 1.102 217 P CB -0.305 31.445 31.700 0.083 0.000 1.937 218 C N 0.649 119.995 119.300 0.076 0.000 3.285 218 C HA 0.472 4.932 4.460 -0.000 0.000 0.325 218 C C -0.093 174.908 174.990 0.018 0.000 1.304 218 C CA -1.198 57.860 59.018 0.067 0.000 1.319 218 C CB 1.070 28.849 27.740 0.065 0.000 1.640 218 C HN 0.397 nan 8.230 nan 0.000 0.477 219 N N 1.372 120.094 118.700 0.036 0.000 2.381 219 N HA 0.043 4.783 4.740 -0.000 0.000 0.241 219 N C 1.150 176.515 175.510 -0.242 0.000 1.279 219 N CA 0.510 53.489 53.050 -0.120 0.000 0.896 219 N CB 0.627 38.937 38.487 -0.295 0.000 1.118 219 N HN 1.009 nan 8.380 nan 0.000 0.438 220 W N 3.564 124.742 121.300 -0.203 0.000 2.425 220 W HA -0.011 4.649 4.660 -0.000 0.000 0.277 220 W C 0.791 177.062 176.519 -0.413 0.000 1.231 220 W CA 0.224 57.411 57.345 -0.263 0.000 1.248 220 W CB -0.410 29.050 29.460 -0.001 0.000 1.117 220 W HN 0.505 nan 8.180 nan 0.000 0.568 221 K N 0.243 119.959 120.400 -1.141 0.000 2.288 221 K HA -0.039 4.281 4.320 -0.000 0.000 0.201 221 K C 1.786 177.943 176.600 -0.737 0.000 1.048 221 K CA 1.202 56.809 56.287 -1.133 0.000 0.956 221 K CB -0.494 31.270 32.500 -1.227 0.000 0.746 221 K HN 0.125 nan 8.250 nan 0.000 0.461 222 F N 0.523 120.080 119.950 -0.656 0.000 2.206 222 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 222 F C 2.468 177.711 175.800 -0.928 0.000 1.090 222 F CA 0.548 58.095 58.000 -0.756 0.000 1.323 222 F CB -0.110 38.298 39.000 -0.986 0.000 1.028 222 F HN 0.023 nan 8.300 nan 0.000 0.492 223 A N 0.181 122.286 122.820 -1.192 0.000 1.898 223 A HA 0.048 4.368 4.320 -0.000 0.000 0.214 223 A C 2.337 179.412 177.584 -0.847 0.000 1.183 223 A CA 1.263 52.396 52.037 -1.506 0.000 0.622 223 A CB -1.144 16.369 19.000 -2.479 0.000 0.824 223 A HN 0.267 nan 8.150 nan 0.000 0.444 224 A N -0.385 122.021 122.820 -0.691 0.000 1.940 224 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 224 A C 2.050 179.658 177.584 0.041 0.000 1.176 224 A CA 1.790 53.764 52.037 -0.104 0.000 0.631 224 A CB -0.494 18.562 19.000 0.094 0.000 0.814 224 A HN 0.612 nan 8.150 nan 0.000 0.446 225 E N -0.619 119.531 120.200 -0.083 0.000 2.072 225 E HA -0.245 4.105 4.350 -0.000 0.000 0.191 225 E C 2.236 178.891 176.600 0.093 0.000 0.985 225 E CA 1.312 57.707 56.400 -0.008 0.000 0.801 225 E CB -0.143 29.553 29.700 -0.008 0.000 0.750 225 E HN 0.813 nan 8.360 nan 0.000 0.452 226 Q N -0.645 119.241 119.800 0.143 0.000 2.170 226 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 226 Q C 1.580 177.626 176.000 0.077 0.000 0.976 226 Q CA 1.282 57.150 55.803 0.109 0.000 0.858 226 Q CB -0.070 28.804 28.738 0.226 0.000 0.907 226 Q HN 0.212 nan 8.270 nan 0.000 0.433 227 F N -0.738 119.271 119.950 0.098 0.000 2.615 227 F HA -0.000 4.527 4.527 -0.000 0.000 0.297 227 F C 2.277 178.225 175.800 0.247 0.000 1.124 227 F CA 0.223 58.324 58.000 0.167 0.000 1.451 227 F CB -0.391 38.791 39.000 0.303 0.000 1.103 227 F HN 0.322 nan 8.300 nan 0.000 0.569 228 C N -1.654 117.847 119.300 0.335 0.000 2.522 228 C HA 0.074 4.534 4.460 -0.000 0.000 0.280 228 C C 2.515 177.699 174.990 0.324 0.000 1.303 228 C CA 1.377 60.569 59.018 0.290 0.000 1.709 228 C CB -0.653 27.196 27.740 0.182 0.000 2.071 228 C HN 0.361 nan 8.230 nan 0.000 0.492 229 S N -1.295 114.517 115.700 0.187 0.000 2.817 229 S HA 0.211 4.681 4.470 -0.000 0.000 0.262 229 S C -0.508 174.132 174.600 0.068 0.000 1.051 229 S CA -0.050 58.244 58.200 0.158 0.000 1.185 229 S CB -0.248 63.005 63.200 0.088 0.000 1.152 229 S HN 0.641 nan 8.310 nan 0.000 0.653 230 D N 1.589 121.892 120.400 -0.162 0.000 2.502 230 D HA 0.306 4.946 4.640 -0.000 0.000 0.301 230 D C 0.517 176.814 176.300 -0.005 0.000 1.202 230 D CA -0.264 53.719 54.000 -0.028 0.000 0.878 230 D CB 0.840 41.627 40.800 -0.021 0.000 1.062 230 D HN 0.253 nan 8.370 nan 0.000 0.499 231 M N 1.936 121.589 119.600 0.087 0.000 2.334 231 M HA 0.051 4.531 4.480 -0.000 0.000 0.266 231 M C 1.508 178.044 176.300 0.394 0.000 1.082 231 M CA 0.927 56.349 55.300 0.204 0.000 1.141 231 M CB -0.376 32.306 32.600 0.137 0.000 1.380 231 M HN 0.421 nan 8.290 nan 0.000 0.440 232 Y N 0.780 121.261 120.300 0.301 0.000 2.100 232 Y HA -0.506 4.043 4.550 -0.000 0.000 0.267 232 Y C 2.638 178.507 175.900 -0.052 0.000 1.250 232 Y CA 2.403 60.525 58.100 0.037 0.000 1.105 232 Y CB -0.466 38.030 38.460 0.059 0.000 0.924 232 Y HN 0.589 nan 8.280 nan 0.000 0.508 233 H N -1.202 117.834 119.070 -0.056 0.000 2.423 233 H HA -0.014 4.542 4.556 -0.000 0.000 0.297 233 H C 1.962 177.213 175.328 -0.128 0.000 1.075 233 H CA 1.312 57.250 56.048 -0.183 0.000 1.342 233 H CB -0.751 28.937 29.762 -0.123 0.000 1.395 233 H HN 0.429 nan 8.280 nan 0.000 0.530 234 A N 0.921 123.295 122.820 -0.743 0.000 2.081 234 A HA 0.220 4.540 4.320 -0.000 0.000 0.214 234 A C 2.638 180.209 177.584 -0.020 0.000 1.158 234 A CA 0.607 52.462 52.037 -0.304 0.000 0.724 234 A CB -0.656 18.233 19.000 -0.185 0.000 0.826 234 A HN 0.560 nan 8.150 nan 0.000 0.463 235 G N -0.589 108.216 108.800 0.008 0.000 2.623 235 G HA2 0.143 4.103 3.960 -0.000 0.000 0.214 235 G HA3 0.143 4.103 3.960 -0.000 0.000 0.214 235 G C 1.256 176.040 174.900 -0.193 0.000 1.138 235 G CA 1.653 46.778 45.100 0.040 0.000 0.794 235 G HN 0.612 nan 8.290 nan 0.000 0.535 236 T N -2.051 112.329 114.554 -0.291 0.000 2.435 236 T HA 0.160 4.510 4.350 -0.000 0.000 0.177 236 T C 2.221 176.783 174.700 -0.229 0.000 0.716 236 T CA 1.577 63.495 62.100 -0.303 0.000 1.523 236 T CB -0.110 68.478 68.868 -0.466 0.000 2.878 236 T HN 0.061 nan 8.240 nan 0.000 0.405 237 T N -0.653 113.748 114.554 -0.256 0.000 3.004 237 T HA 0.085 4.435 4.350 -0.000 0.000 0.243 237 T C 2.174 176.728 174.700 -0.244 0.000 1.020 237 T CA 1.177 63.148 62.100 -0.215 0.000 1.145 237 T CB -1.386 67.364 68.868 -0.196 0.000 0.876 237 T HN 0.432 nan 8.240 nan 0.000 0.449 238 T N 1.502 115.870 114.554 -0.311 0.000 2.714 238 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 238 T C 1.171 175.538 174.700 -0.555 0.000 1.036 238 T CA 1.666 63.496 62.100 -0.450 0.000 1.148 238 T CB -0.406 68.135 68.868 -0.546 0.000 0.856 238 T HN 0.520 nan 8.240 nan 0.000 0.462 239 H N -0.256 118.641 119.070 -0.287 0.000 2.581 239 H HA 0.393 4.949 4.556 -0.000 0.000 0.275 239 H C 1.678 176.778 175.328 -0.380 0.000 1.126 239 H CA -0.313 55.463 56.048 -0.454 0.000 1.097 239 H CB -0.116 29.278 29.762 -0.613 0.000 1.626 239 H HN 0.297 nan 8.280 nan 0.000 0.565 240 L N 0.551 121.678 121.223 -0.160 0.000 2.043 240 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 240 L C 2.437 179.232 176.870 -0.125 0.000 1.075 240 L CA 1.921 56.688 54.840 -0.122 0.000 0.752 240 L CB -0.442 41.552 42.059 -0.108 0.000 0.891 240 L HN 0.235 nan 8.230 nan 0.000 0.432 241 S N -0.574 115.040 115.700 -0.144 0.000 2.436 241 S HA -0.018 4.452 4.470 -0.000 0.000 0.228 241 S C 2.031 176.542 174.600 -0.149 0.000 1.014 241 S CA 0.548 58.674 58.200 -0.123 0.000 0.950 241 S CB -0.620 62.514 63.200 -0.109 0.000 0.784 241 S HN 0.413 nan 8.310 nan 0.000 0.504 242 G N 2.227 110.857 108.800 -0.283 0.000 2.394 242 G HA2 0.005 3.965 3.960 -0.000 0.000 0.214 242 G HA3 0.005 3.965 3.960 -0.000 0.000 0.214 242 G C 1.370 176.173 174.900 -0.161 0.000 1.176 242 G CA 0.774 45.614 45.100 -0.432 0.000 0.786 242 G HN 0.521 nan 8.290 nan 0.000 0.533 243 I N 0.318 120.783 120.570 -0.175 0.000 2.151 243 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 243 I C 2.594 178.723 176.117 0.021 0.000 1.080 243 I CA 0.799 62.126 61.300 0.046 0.000 1.339 243 I CB -0.261 37.758 38.000 0.031 0.000 1.039 243 I HN 0.170 nan 8.210 nan 0.000 0.409 244 L N 1.202 122.409 121.223 -0.027 0.000 2.081 244 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 244 L C 2.419 179.284 176.870 -0.009 0.000 1.080 244 L CA 2.206 57.033 54.840 -0.022 0.000 0.754 244 L CB -0.700 41.335 42.059 -0.040 0.000 0.893 244 L HN 0.221 nan 8.230 nan 0.000 0.433 245 A N -1.124 121.692 122.820 -0.007 0.000 2.066 245 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 245 A C 2.222 179.819 177.584 0.021 0.000 1.157 245 A CA 1.070 53.108 52.037 0.003 0.000 0.670 245 A CB -1.098 17.900 19.000 -0.003 0.000 0.804 245 A HN 0.528 nan 8.150 nan 0.000 0.453 246 G N 0.203 109.026 108.800 0.039 0.000 2.539 246 G HA2 0.249 4.209 3.960 -0.000 0.000 0.215 246 G HA3 0.249 4.209 3.960 -0.000 0.000 0.215 246 G C 0.845 175.755 174.900 0.017 0.000 1.141 246 G CA 0.504 45.623 45.100 0.033 0.000 0.806 246 G HN 0.687 nan 8.290 nan 0.000 0.533 247 I N -0.542 120.037 120.570 0.015 0.000 3.004 247 I HA 0.443 4.613 4.170 -0.000 0.000 0.287 247 I C -2.360 173.761 176.117 0.006 0.000 1.144 247 I CA -2.039 59.266 61.300 0.008 0.000 1.353 247 I CB 0.330 38.334 38.000 0.006 0.000 1.417 247 I HN -0.206 nan 8.210 nan 0.000 0.602 248 P HA 0.205 nan 4.420 nan 0.000 0.269 248 P C -2.214 175.087 177.300 0.002 0.000 1.209 248 P CA -1.085 62.017 63.100 0.005 0.000 0.776 248 P CB -0.175 31.527 31.700 0.005 0.000 0.876 249 P HA -0.136 nan 4.420 nan 0.000 0.229 249 P C 0.621 177.920 177.300 -0.002 0.000 1.150 249 P CA 1.213 64.312 63.100 -0.001 0.000 0.765 249 P CB 0.143 31.842 31.700 -0.001 0.000 0.783 250 E N -1.711 118.489 120.200 -0.001 0.000 2.276 250 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 250 E C 0.983 177.582 176.600 -0.002 0.000 0.983 250 E CA 0.312 56.711 56.400 -0.001 0.000 0.861 250 E CB -0.165 29.536 29.700 0.001 0.000 0.817 250 E HN 0.252 nan 8.360 nan 0.000 0.485 251 M N 1.508 121.107 119.600 -0.002 0.000 2.409 251 M HA 0.210 4.690 4.480 -0.000 0.000 0.329 251 M C -1.277 175.020 176.300 -0.005 0.000 1.180 251 M CA -0.686 54.612 55.300 -0.002 0.000 1.053 251 M CB 1.001 33.601 32.600 -0.000 0.000 1.586 251 M HN -0.079 nan 8.290 nan 0.000 0.461 252 D N 2.239 122.635 120.400 -0.007 0.000 2.553 252 D HA 0.229 4.869 4.640 -0.000 0.000 0.249 252 D C 0.614 176.908 176.300 -0.012 0.000 1.062 252 D CA -0.717 53.277 54.000 -0.010 0.000 1.085 252 D CB 0.607 41.400 40.800 -0.012 0.000 1.350 252 D HN 0.653 nan 8.370 nan 0.000 0.575 253 L N -0.007 121.207 121.223 -0.016 0.000 2.187 253 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 253 L C 2.245 179.105 176.870 -0.018 0.000 1.100 253 L CA 1.785 56.613 54.840 -0.020 0.000 0.765 253 L CB -0.353 41.690 42.059 -0.028 0.000 0.904 253 L HN 0.579 nan 8.230 nan 0.000 0.437 254 S N -0.965 114.726 115.700 -0.015 0.000 2.368 254 S HA -0.255 4.215 4.470 -0.000 0.000 0.224 254 S C 1.825 176.420 174.600 -0.009 0.000 1.029 254 S CA 1.060 59.252 58.200 -0.013 0.000 0.988 254 S CB -0.208 62.984 63.200 -0.012 0.000 0.838 254 S HN 0.388 nan 8.310 nan 0.000 0.462 255 Q N 2.179 121.974 119.800 -0.007 0.000 2.096 255 Q HA 0.295 4.635 4.340 -0.000 0.000 0.204 255 Q C 1.210 177.208 176.000 -0.004 0.000 0.982 255 Q CA 1.039 56.840 55.803 -0.004 0.000 0.850 255 Q CB -0.973 27.763 28.738 -0.002 0.000 0.901 255 Q HN 0.766 nan 8.270 nan 0.000 0.422 256 A N 1.356 124.173 122.820 -0.005 0.000 2.567 256 A HA -0.122 4.197 4.320 -0.000 0.000 0.263 256 A C -0.032 177.548 177.584 -0.007 0.000 1.030 256 A CA 0.226 52.261 52.037 -0.003 0.000 0.833 256 A CB -0.246 18.752 19.000 -0.003 0.000 0.924 256 A HN 0.178 nan 8.150 nan 0.000 0.518 257 Q N 2.646 122.442 119.800 -0.008 0.000 2.490 257 Q HA 0.455 4.795 4.340 -0.000 0.000 0.226 257 Q C -0.452 175.528 176.000 -0.034 0.000 1.132 257 Q CA 0.027 55.821 55.803 -0.016 0.000 0.928 257 Q CB -0.112 28.618 28.738 -0.013 0.000 1.299 257 Q HN 0.648 nan 8.270 nan 0.000 0.528 258 I N 5.335 125.886 120.570 -0.031 0.000 2.505 258 I HA 0.210 4.380 4.170 -0.000 0.000 0.287 258 I C -1.763 174.293 176.117 -0.101 0.000 1.104 258 I CA -1.906 59.366 61.300 -0.047 0.000 1.387 258 I CB 0.123 38.116 38.000 -0.011 0.000 1.404 258 I HN 0.423 nan 8.210 nan 0.000 0.528 259 P HA 0.098 nan 4.420 nan 0.000 0.269 259 P C 0.591 177.733 177.300 -0.262 0.000 1.215 259 P CA -0.142 62.691 63.100 -0.445 0.000 0.780 259 P CB 0.662 31.681 31.700 -1.136 0.000 0.898 260 T N -2.955 111.544 114.554 -0.093 0.000 2.993 260 T HA 0.181 4.531 4.350 -0.000 0.000 0.260 260 T C 0.326 175.093 174.700 0.112 0.000 0.939 260 T CA -0.248 61.931 62.100 0.131 0.000 0.886 260 T CB 0.010 69.005 68.868 0.212 0.000 1.209 260 T HN 0.151 nan 8.240 nan 0.000 0.518 261 K N 1.826 122.267 120.400 0.069 0.000 2.276 261 K HA 0.627 4.947 4.320 -0.000 0.000 0.283 261 K C 0.263 176.940 176.600 0.129 0.000 1.044 261 K CA -0.124 56.246 56.287 0.138 0.000 0.944 261 K CB 1.183 33.760 32.500 0.129 0.000 1.012 261 K HN 0.494 nan 8.250 nan 0.000 0.472 262 G N 1.839 110.672 108.800 0.055 0.000 2.324 262 G HA2 0.074 4.034 3.960 -0.000 0.000 0.293 262 G HA3 0.074 4.034 3.960 -0.000 0.000 0.293 262 G C -1.705 172.938 174.900 -0.428 0.000 1.297 262 G CA -0.848 44.129 45.100 -0.206 0.000 0.853 262 G HN 0.555 nan 8.290 nan 0.000 0.535 263 N N -0.571 117.506 118.700 -1.038 0.000 2.571 263 N HA 0.589 5.329 4.740 -0.000 0.000 0.273 263 N C -1.356 173.313 175.510 -1.402 0.000 1.340 263 N CA -0.606 51.800 53.050 -1.074 0.000 0.789 263 N CB 2.676 40.559 38.487 -1.006 0.000 1.514 263 N HN 0.675 nan 8.380 nan 0.000 0.499 264 Q N 1.046 120.343 119.800 -0.838 0.000 2.289 264 Q HA 0.372 4.712 4.340 -0.000 0.000 0.270 264 Q C -1.958 173.908 176.000 -0.223 0.000 1.038 264 Q CA -0.606 54.862 55.803 -0.559 0.000 0.812 264 Q CB 1.837 30.383 28.738 -0.320 0.000 1.300 264 Q HN 0.561 nan 8.270 nan 0.000 0.427 265 F N 3.692 123.478 119.950 -0.274 0.000 2.458 265 F HA 0.609 5.136 4.527 -0.000 0.000 0.336 265 F C -1.101 174.635 175.800 -0.107 0.000 1.114 265 F CA -0.693 57.209 58.000 -0.165 0.000 0.987 265 F CB 1.260 40.031 39.000 -0.381 0.000 1.130 265 F HN 0.563 nan 8.300 nan 0.000 0.458 266 R N 5.170 125.147 120.500 -0.873 0.000 2.562 266 R HA 0.776 5.116 4.340 -0.000 0.000 0.298 266 R C -1.074 174.538 176.300 -1.146 0.000 0.961 266 R CA -0.824 54.783 56.100 -0.822 0.000 0.881 266 R CB 1.499 31.575 30.300 -0.373 0.000 1.159 266 R HN 0.908 nan 8.270 nan 0.000 0.450 267 A N 2.992 125.321 122.820 -0.818 0.000 2.462 267 A HA 0.364 4.684 4.320 -0.000 0.000 0.243 267 A C 1.216 178.713 177.584 -0.145 0.000 1.076 267 A CA 0.397 52.221 52.037 -0.355 0.000 0.773 267 A CB 0.613 19.603 19.000 -0.017 0.000 1.010 267 A HN 1.033 nan 8.150 nan 0.000 0.493 268 A N 1.653 124.506 122.820 0.056 0.000 1.940 268 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 268 A C 0.595 178.283 177.584 0.173 0.000 1.176 268 A CA 1.678 53.784 52.037 0.115 0.000 0.631 268 A CB -0.260 18.848 19.000 0.179 0.000 0.814 268 A HN 1.209 nan 8.150 nan 0.000 0.446 269 W N -3.328 117.937 121.300 -0.057 0.000 3.372 269 W HA 0.447 5.107 4.660 -0.000 0.000 0.315 269 W C 0.500 176.792 176.519 -0.379 0.000 1.223 269 W CA 0.197 57.463 57.345 -0.131 0.000 1.202 269 W CB 1.097 30.536 29.460 -0.035 0.000 1.367 269 W HN 0.782 nan 8.180 nan 0.000 0.531 270 G N 1.720 109.595 108.800 -1.541 0.000 2.253 270 G HA2 0.169 4.129 3.960 -0.000 0.000 0.209 270 G HA3 0.169 4.129 3.960 -0.000 0.000 0.209 270 G C 0.973 174.684 174.900 -1.983 0.000 0.997 270 G CA 0.596 44.314 45.100 -2.303 0.000 0.640 270 G HN 2.205 nan 8.290 nan 0.000 0.496 271 G N -0.261 107.788 108.800 -1.250 0.000 2.141 271 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.242 271 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.242 271 G C 0.200 174.847 174.900 -0.422 0.000 0.982 271 G CA 0.783 45.426 45.100 -0.761 0.000 0.662 271 G HN 1.450 nan 8.290 nan 0.000 0.527 272 H N 0.387 119.391 119.070 -0.110 0.000 2.615 272 H HA 0.612 5.168 4.556 -0.000 0.000 0.363 272 H C 0.757 176.082 175.328 -0.005 0.000 1.148 272 H CA 0.472 56.550 56.048 0.050 0.000 1.401 272 H CB 1.427 31.278 29.762 0.148 0.000 1.461 272 H HN 0.761 nan 8.280 nan 0.000 0.588 273 G N -0.573 108.351 108.800 0.206 0.000 2.704 273 G HA2 0.426 4.386 3.960 -0.000 0.000 0.293 273 G HA3 0.426 4.386 3.960 -0.000 0.000 0.293 273 G C -1.286 173.722 174.900 0.179 0.000 1.421 273 G CA -0.484 44.689 45.100 0.122 0.000 0.870 273 G HN 0.633 nan 8.290 nan 0.000 0.492 274 S N -1.397 114.378 115.700 0.124 0.000 2.579 274 S HA 0.898 5.368 4.470 -0.000 0.000 0.272 274 S C -0.317 174.137 174.600 -0.242 0.000 1.141 274 S CA 0.137 58.297 58.200 -0.067 0.000 0.843 274 S CB 1.804 64.977 63.200 -0.046 0.000 1.122 274 S HN 1.857 nan 8.310 nan 0.000 0.468 275 G N 1.328 109.689 108.800 -0.731 0.000 2.696 275 G HA2 0.757 4.717 3.960 -0.000 0.000 0.295 275 G HA3 0.757 4.717 3.960 -0.000 0.000 0.295 275 G C -1.836 172.830 174.900 -0.391 0.000 1.398 275 G CA -0.571 44.079 45.100 -0.750 0.000 0.920 275 G HN 1.017 nan 8.290 nan 0.000 0.492 276 W N 0.107 121.129 121.300 -0.462 0.000 3.146 276 W HA 0.704 5.364 4.660 -0.000 0.000 0.319 276 W C -1.794 174.545 176.519 -0.300 0.000 1.258 276 W CA -1.922 55.205 57.345 -0.364 0.000 1.189 276 W CB 0.728 30.058 29.460 -0.217 0.000 1.412 276 W HN 0.573 nan 8.180 nan 0.000 0.567 277 Y N 1.036 121.405 120.300 0.114 0.000 2.374 277 Y HA 0.626 5.176 4.550 -0.000 0.000 0.322 277 Y C 0.375 176.417 175.900 0.238 0.000 1.275 277 Y CA -1.318 56.824 58.100 0.070 0.000 1.307 277 Y CB 1.492 39.993 38.460 0.069 0.000 1.282 277 Y HN 0.211 nan 8.280 nan 0.000 0.509 278 V N 0.802 120.944 119.914 0.380 0.000 2.656 278 V HA 0.180 4.300 4.120 -0.000 0.000 0.307 278 V C -0.701 175.538 176.094 0.242 0.000 1.051 278 V CA -1.319 61.190 62.300 0.349 0.000 0.893 278 V CB 1.598 33.646 31.823 0.375 0.000 0.999 278 V HN 0.924 nan 8.190 nan 0.000 0.426 279 D N 1.833 122.363 120.400 0.217 0.000 2.708 279 D HA -0.186 4.454 4.640 -0.000 0.000 0.236 279 D C 0.067 176.438 176.300 0.119 0.000 1.146 279 D CA 1.085 55.177 54.000 0.153 0.000 0.662 279 D CB -0.342 40.536 40.800 0.130 0.000 1.059 279 D HN 0.844 nan 8.370 nan 0.000 0.428 280 E N -0.548 119.730 120.200 0.130 0.000 2.325 280 E HA 0.305 4.655 4.350 -0.000 0.000 0.248 280 E C -1.991 174.666 176.600 0.094 0.000 0.912 280 E CA -1.651 54.798 56.400 0.081 0.000 0.782 280 E CB 1.622 31.335 29.700 0.023 0.000 1.264 280 E HN -0.167 nan 8.360 nan 0.000 0.417 281 P HA 0.011 nan 4.420 nan 0.000 0.220 281 P C 1.230 178.559 177.300 0.047 0.000 1.152 281 P CA 0.734 63.876 63.100 0.070 0.000 0.812 281 P CB 0.403 32.138 31.700 0.058 0.000 0.792 282 G N 0.426 109.245 108.800 0.032 0.000 2.448 282 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 282 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 282 G C 1.665 176.584 174.900 0.031 0.000 1.127 282 G CA 1.241 46.354 45.100 0.020 0.000 0.766 282 G HN 0.404 nan 8.290 nan 0.000 0.552 283 S N 0.108 115.838 115.700 0.050 0.000 2.383 283 S HA 0.008 4.478 4.470 -0.000 0.000 0.227 283 S C 2.134 176.783 174.600 0.082 0.000 1.026 283 S CA 1.206 59.471 58.200 0.108 0.000 0.981 283 S CB -0.206 63.126 63.200 0.219 0.000 0.818 283 S HN 0.185 nan 8.310 nan 0.000 0.472 284 L N -0.175 121.077 121.223 0.048 0.000 2.354 284 L HA 0.490 4.830 4.340 -0.000 0.000 0.212 284 L C 1.972 178.804 176.870 -0.065 0.000 1.091 284 L CA 0.656 55.484 54.840 -0.020 0.000 0.828 284 L CB -0.379 41.675 42.059 -0.007 0.000 0.973 284 L HN 0.304 nan 8.230 nan 0.000 0.461 285 L N -0.684 120.520 121.223 -0.032 0.000 2.240 285 L HA 0.074 4.414 4.340 -0.000 0.000 0.211 285 L C 2.339 179.161 176.870 -0.080 0.000 1.106 285 L CA 1.578 56.385 54.840 -0.055 0.000 0.793 285 L CB -0.433 41.616 42.059 -0.016 0.000 0.927 285 L HN 0.244 nan 8.230 nan 0.000 0.446 286 A N -1.694 121.098 122.820 -0.046 0.000 1.935 286 A HA -0.008 4.312 4.320 -0.000 0.000 0.214 286 A C 2.096 179.636 177.584 -0.074 0.000 1.178 286 A CA 1.393 53.412 52.037 -0.030 0.000 0.640 286 A CB -0.537 18.481 19.000 0.031 0.000 0.825 286 A HN 0.215 nan 8.150 nan 0.000 0.447 287 V N -0.871 118.971 119.914 -0.121 0.000 2.331 287 V HA -0.089 4.031 4.120 -0.000 0.000 0.242 287 V C 2.253 178.158 176.094 -0.316 0.000 1.034 287 V CA 1.584 63.750 62.300 -0.224 0.000 1.027 287 V CB -0.424 31.239 31.823 -0.267 0.000 0.667 287 V HN 0.452 nan 8.190 nan 0.000 0.457 288 M N -0.823 118.564 119.600 -0.355 0.000 2.367 288 M HA 0.389 4.869 4.480 -0.000 0.000 0.256 288 M C 0.930 176.786 176.300 -0.739 0.000 1.091 288 M CA 0.873 55.853 55.300 -0.533 0.000 1.049 288 M CB 0.130 32.508 32.600 -0.370 0.000 1.406 288 M HN 0.535 nan 8.290 nan 0.000 0.498 289 G N 1.505 110.004 108.800 -0.501 0.000 2.699 289 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.686 289 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.686 289 G C -2.234 172.580 174.900 -0.142 0.000 1.301 289 G CA -0.591 44.311 45.100 -0.330 0.000 0.816 289 G HN 0.072 nan 8.290 nan 0.000 0.595 290 P HA -0.148 nan 4.420 nan 0.000 0.216 290 P C 1.617 178.926 177.300 0.014 0.000 1.153 290 P CA 1.912 65.008 63.100 -0.008 0.000 0.858 290 P CB 0.015 31.721 31.700 0.010 0.000 0.789 291 K N -0.495 119.916 120.400 0.018 0.000 2.025 291 K HA -0.037 4.283 4.320 -0.000 0.000 0.207 291 K C 2.229 178.866 176.600 0.061 0.000 1.049 291 K CA 1.050 57.365 56.287 0.047 0.000 0.933 291 K CB -0.722 31.806 32.500 0.047 0.000 0.714 291 K HN -0.032 nan 8.250 nan 0.000 0.438 292 V N 1.443 121.345 119.914 -0.021 0.000 2.307 292 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 292 V C 2.129 178.275 176.094 0.087 0.000 1.045 292 V CA 2.105 64.368 62.300 -0.062 0.000 1.024 292 V CB -0.633 30.980 31.823 -0.349 0.000 0.651 292 V HN 0.408 nan 8.190 nan 0.000 0.449 293 T N -0.730 113.844 114.554 0.033 0.000 2.759 293 T HA -0.309 4.041 4.350 -0.000 0.000 0.269 293 T C 1.902 176.708 174.700 0.176 0.000 1.042 293 T CA 1.897 64.060 62.100 0.104 0.000 1.140 293 T CB -0.248 68.645 68.868 0.041 0.000 0.864 293 T HN 0.428 nan 8.240 nan 0.000 0.455 294 Q N 0.036 119.922 119.800 0.142 0.000 2.084 294 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 294 Q C 1.918 178.029 176.000 0.186 0.000 0.978 294 Q CA 1.491 57.377 55.803 0.139 0.000 0.844 294 Q CB -0.493 28.311 28.738 0.110 0.000 0.898 294 Q HN 0.724 nan 8.270 nan 0.000 0.426 295 Y N -1.151 119.226 120.300 0.129 0.000 2.293 295 Y HA -0.216 4.334 4.550 -0.000 0.000 0.291 295 Y C 1.838 177.870 175.900 0.220 0.000 1.137 295 Y CA 1.648 59.845 58.100 0.162 0.000 1.202 295 Y CB -0.200 38.377 38.460 0.194 0.000 0.990 295 Y HN 0.359 nan 8.280 nan 0.000 0.537 296 W N 0.727 122.131 121.300 0.173 0.000 2.476 296 W HA -0.121 4.538 4.660 -0.000 0.000 0.281 296 W C 1.722 178.254 176.519 0.021 0.000 1.230 296 W CA 2.124 59.537 57.345 0.114 0.000 1.287 296 W CB -0.020 29.539 29.460 0.165 0.000 1.108 296 W HN 0.293 nan 8.180 nan 0.000 0.567 297 T N -2.591 112.045 114.554 0.136 0.000 3.071 297 T HA 0.096 4.446 4.350 -0.000 0.000 0.239 297 T C 0.561 175.252 174.700 -0.015 0.000 0.997 297 T CA 0.179 62.312 62.100 0.053 0.000 1.134 297 T CB 0.291 69.242 68.868 0.139 0.000 0.928 297 T HN -0.234 nan 8.240 nan 0.000 0.453 298 E N 0.902 121.103 120.200 0.002 0.000 2.281 298 E HA 0.633 4.983 4.350 -0.000 0.000 0.257 298 E C 0.528 177.098 176.600 -0.051 0.000 0.971 298 E CA -0.123 56.266 56.400 -0.018 0.000 0.839 298 E CB 1.261 30.969 29.700 0.012 0.000 1.238 298 E HN 0.646 nan 8.360 nan 0.000 0.412 299 G N 0.550 109.322 108.800 -0.047 0.000 2.757 299 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.638 299 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.638 299 G C -2.186 172.660 174.900 -0.091 0.000 1.344 299 G CA -0.417 44.649 45.100 -0.056 0.000 0.855 299 G HN 0.387 nan 8.290 nan 0.000 0.537 300 P HA 0.005 nan 4.420 nan 0.000 0.215 300 P C 2.220 179.440 177.300 -0.134 0.000 1.153 300 P CA 2.974 66.023 63.100 -0.085 0.000 0.853 300 P CB -0.062 31.607 31.700 -0.052 0.000 0.788 301 A N -0.131 122.566 122.820 -0.206 0.000 1.930 301 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 301 A C 2.309 179.694 177.584 -0.332 0.000 1.175 301 A CA 1.770 53.629 52.037 -0.295 0.000 0.627 301 A CB -1.504 17.179 19.000 -0.529 0.000 0.815 301 A HN 0.185 nan 8.150 nan 0.000 0.443 302 A N 0.008 122.623 122.820 -0.341 0.000 1.933 302 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 302 A C 1.894 179.336 177.584 -0.238 0.000 1.175 302 A CA 1.669 53.514 52.037 -0.322 0.000 0.628 302 A CB -0.436 18.412 19.000 -0.254 0.000 0.814 302 A HN 0.633 nan 8.150 nan 0.000 0.444 303 E N -0.810 119.286 120.200 -0.173 0.000 2.107 303 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 303 E C 1.886 178.414 176.600 -0.120 0.000 0.982 303 E CA 0.879 57.202 56.400 -0.127 0.000 0.809 303 E CB -0.205 29.439 29.700 -0.093 0.000 0.756 303 E HN 0.467 nan 8.360 nan 0.000 0.459 304 L N 1.137 122.286 121.223 -0.124 0.000 2.083 304 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 304 L C 2.140 178.942 176.870 -0.114 0.000 1.083 304 L CA 1.915 56.693 54.840 -0.103 0.000 0.752 304 L CB -0.631 41.373 42.059 -0.092 0.000 0.899 304 L HN 0.052 nan 8.230 nan 0.000 0.433 305 A N -1.014 121.709 122.820 -0.163 0.000 1.855 305 A HA -0.239 4.081 4.320 -0.000 0.000 0.215 305 A C 2.338 179.824 177.584 -0.163 0.000 1.191 305 A CA 1.698 53.625 52.037 -0.183 0.000 0.613 305 A CB -0.747 18.075 19.000 -0.297 0.000 0.829 305 A HN 0.561 nan 8.150 nan 0.000 0.442 306 E N -0.638 119.458 120.200 -0.172 0.000 2.110 306 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 306 E C 2.245 178.785 176.600 -0.099 0.000 0.988 306 E CA 1.276 57.591 56.400 -0.143 0.000 0.804 306 E CB -0.122 29.497 29.700 -0.134 0.000 0.745 306 E HN 0.763 nan 8.360 nan 0.000 0.458 307 Q N 0.598 120.348 119.800 -0.084 0.000 2.002 307 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 307 Q C 2.205 178.189 176.000 -0.027 0.000 0.988 307 Q CA 1.535 57.305 55.803 -0.054 0.000 0.843 307 Q CB -0.053 28.653 28.738 -0.053 0.000 0.908 307 Q HN 0.174 nan 8.270 nan 0.000 0.420 308 R N -0.149 120.333 120.500 -0.030 0.000 2.127 308 R HA -0.085 4.255 4.340 -0.000 0.000 0.238 308 R C 1.921 178.280 176.300 0.098 0.000 1.134 308 R CA 1.139 57.245 56.100 0.011 0.000 0.975 308 R CB -0.148 30.140 30.300 -0.019 0.000 0.865 308 R HN 0.333 nan 8.270 nan 0.000 0.447 309 L N -0.430 120.793 121.223 0.000 0.000 2.685 309 L HA 0.202 4.542 4.340 -0.000 0.000 0.233 309 L C 1.867 178.636 176.870 -0.169 0.000 1.173 309 L CA -0.287 54.496 54.840 -0.094 0.000 0.961 309 L CB 0.441 42.408 42.059 -0.154 0.000 1.217 309 L HN 0.227 nan 8.230 nan 0.000 0.478 310 G N 0.137 108.907 108.800 -0.050 0.000 2.421 310 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 310 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 310 G C 1.527 176.388 174.900 -0.065 0.000 1.143 310 G CA 0.645 45.708 45.100 -0.062 0.000 0.784 310 G HN 0.607 nan 8.290 nan 0.000 0.541 311 H N 1.223 120.253 119.070 -0.066 0.000 2.422 311 H HA -0.127 4.429 4.556 -0.000 0.000 0.298 311 H C 2.199 177.488 175.328 -0.064 0.000 1.098 311 H CA 1.850 57.864 56.048 -0.057 0.000 1.315 311 H CB -1.176 28.556 29.762 -0.050 0.000 1.382 311 H HN 0.409 nan 8.280 nan 0.000 0.523 312 T N -2.972 111.147 114.554 -0.725 0.000 3.035 312 T HA 0.151 4.501 4.350 -0.000 0.000 0.268 312 T C 1.844 176.384 174.700 -0.266 0.000 1.109 312 T CA 1.153 62.951 62.100 -0.503 0.000 1.119 312 T CB -0.728 67.797 68.868 -0.573 0.000 0.900 312 T HN 0.705 nan 8.240 nan 0.000 0.503 313 G N 1.204 109.878 108.800 -0.210 0.000 2.155 313 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 313 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 313 G C -0.013 174.785 174.900 -0.169 0.000 0.983 313 G CA 0.378 45.391 45.100 -0.145 0.000 0.676 313 G HN 0.603 nan 8.290 nan 0.000 0.528 314 M N 1.205 120.686 119.600 -0.198 0.000 2.180 314 M HA 0.352 4.832 4.480 -0.000 0.000 0.358 314 M C -1.981 174.238 176.300 -0.135 0.000 1.233 314 M CA -1.769 53.423 55.300 -0.179 0.000 1.114 314 M CB 1.344 33.831 32.600 -0.188 0.000 1.594 314 M HN -0.071 nan 8.290 nan 0.000 0.467 315 P HA 0.087 nan 4.420 nan 0.000 0.232 315 P C 0.761 178.063 177.300 0.003 0.000 1.814 315 P CA -0.296 62.775 63.100 -0.048 0.000 1.085 315 P CB -0.374 31.306 31.700 -0.033 0.000 1.901 316 V N 1.226 121.104 119.914 -0.061 0.000 2.626 316 V HA -0.170 3.950 4.120 -0.000 0.000 0.252 316 V C 1.825 177.876 176.094 -0.071 0.000 1.067 316 V CA 1.017 63.269 62.300 -0.080 0.000 1.081 316 V CB -1.063 30.652 31.823 -0.178 0.000 0.686 316 V HN 0.194 nan 8.190 nan 0.000 0.468 317 R N 0.409 120.860 120.500 -0.083 0.000 2.280 317 R HA 0.073 4.413 4.340 -0.000 0.000 0.207 317 R C 2.333 178.676 176.300 0.071 0.000 1.043 317 R CA 1.043 57.106 56.100 -0.062 0.000 1.006 317 R CB -0.288 29.968 30.300 -0.073 0.000 0.885 317 R HN 0.545 nan 8.270 nan 0.000 0.467 318 R N 0.165 120.731 120.500 0.111 0.000 2.140 318 R HA 0.169 4.509 4.340 -0.000 0.000 0.213 318 R C 0.678 177.137 176.300 0.265 0.000 1.059 318 R CA 0.257 56.466 56.100 0.182 0.000 1.000 318 R CB 0.074 30.487 30.300 0.189 0.000 0.910 318 R HN 0.074 nan 8.270 nan 0.000 0.455 319 M N 2.226 121.988 119.600 0.269 0.000 2.268 319 M HA 0.073 4.553 4.480 -0.000 0.000 0.349 319 M C -0.535 176.003 176.300 0.397 0.000 1.485 319 M CA 0.182 55.668 55.300 0.309 0.000 1.094 319 M CB 0.839 33.508 32.600 0.115 0.000 1.843 319 M HN -0.126 nan 8.290 nan 0.000 0.460 320 V N 0.492 120.620 119.914 0.357 0.000 2.525 320 V HA 0.862 4.982 4.120 -0.000 0.000 0.299 320 V C 0.418 176.639 176.094 0.212 0.000 1.034 320 V CA -0.529 61.937 62.300 0.277 0.000 0.863 320 V CB 1.088 33.069 31.823 0.262 0.000 0.999 320 V HN 1.099 nan 8.190 nan 0.000 0.423 321 G N 2.483 111.320 108.800 0.062 0.000 2.341 321 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.278 321 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.278 321 G C -0.085 174.800 174.900 -0.024 0.000 1.111 321 G CA 0.502 45.607 45.100 0.008 0.000 0.982 321 G HN 1.194 nan 8.290 nan 0.000 0.502 322 Q N -0.207 119.600 119.800 0.012 0.000 2.394 322 Q HA 0.503 4.843 4.340 -0.000 0.000 0.248 322 Q C 0.580 176.583 176.000 0.005 0.000 0.992 322 Q CA -0.173 55.653 55.803 0.038 0.000 0.888 322 Q CB 0.410 29.206 28.738 0.097 0.000 1.257 322 Q HN 0.909 nan 8.270 nan 0.000 0.462 323 H N 1.526 120.592 119.070 -0.008 0.000 2.637 323 H HA 0.709 5.264 4.556 -0.000 0.000 0.363 323 H C -1.301 174.014 175.328 -0.021 0.000 1.131 323 H CA -1.012 55.002 56.048 -0.058 0.000 1.183 323 H CB 1.365 31.053 29.762 -0.122 0.000 1.637 323 H HN 0.641 nan 8.280 nan 0.000 0.531 324 M N 2.192 121.817 119.600 0.040 0.000 2.520 324 M HA 0.520 5.000 4.480 -0.000 0.000 0.280 324 M C -1.796 174.423 176.300 -0.134 0.000 1.232 324 M CA -0.183 55.033 55.300 -0.141 0.000 0.892 324 M CB 2.602 34.923 32.600 -0.465 0.000 1.728 324 M HN 0.872 nan 8.290 nan 0.000 0.475 325 T N 3.846 118.427 114.554 0.046 0.000 2.916 325 T HA 0.611 4.961 4.350 -0.000 0.000 0.298 325 T C -1.193 173.677 174.700 0.282 0.000 1.031 325 T CA -0.537 61.666 62.100 0.173 0.000 0.993 325 T CB 1.491 70.544 68.868 0.309 0.000 1.045 325 T HN 0.437 nan 8.240 nan 0.000 0.454 326 I N 3.277 124.074 120.570 0.378 0.000 2.328 326 I HA 0.332 4.502 4.170 -0.000 0.000 0.287 326 I C -0.035 176.441 176.117 0.598 0.000 1.012 326 I CA -0.912 60.700 61.300 0.519 0.000 1.195 326 I CB 0.678 38.926 38.000 0.413 0.000 1.350 326 I HN 0.658 nan 8.210 nan 0.000 0.464 327 F N 10.130 130.401 119.950 0.535 0.000 2.578 327 F HA 0.146 4.673 4.527 -0.000 0.000 0.376 327 F C -1.280 174.770 175.800 0.416 0.000 1.085 327 F CA -0.545 57.645 58.000 0.315 0.000 1.260 327 F CB 0.752 39.768 39.000 0.027 0.000 1.095 327 F HN 0.380 nan 8.300 nan 0.000 0.573 328 P HA -0.017 nan 4.420 nan 0.000 0.215 328 P C 0.375 177.566 177.300 -0.181 0.000 1.157 328 P CA 1.411 63.920 63.100 -0.984 0.000 0.869 328 P CB 0.056 30.909 31.700 -1.412 0.000 0.781 329 T N -3.817 110.748 114.554 0.020 0.000 3.355 329 T HA 0.330 4.680 4.350 -0.000 0.000 0.276 329 T C -0.132 174.692 174.700 0.205 0.000 1.003 329 T CA -0.627 61.647 62.100 0.290 0.000 0.943 329 T CB -1.553 67.475 68.868 0.267 0.000 1.158 329 T HN 0.107 nan 8.240 nan 0.000 0.513 330 C N 1.819 121.263 119.300 0.241 0.000 2.301 330 C HA 0.834 5.294 4.460 -0.000 0.000 0.323 330 C C -0.410 174.715 174.990 0.226 0.000 1.265 330 C CA -0.111 59.020 59.018 0.187 0.000 1.503 330 C CB -0.151 27.814 27.740 0.375 0.000 2.195 330 C HN 0.605 nan 8.230 nan 0.000 0.477 331 S N 4.324 120.035 115.700 0.018 0.000 2.548 331 S HA 0.952 5.422 4.470 -0.000 0.000 0.286 331 S C -1.036 173.629 174.600 0.108 0.000 1.098 331 S CA -0.396 57.805 58.200 0.001 0.000 0.930 331 S CB 1.397 64.503 63.200 -0.156 0.000 1.070 331 S HN 0.909 nan 8.310 nan 0.000 0.480 332 F N -0.527 119.563 119.950 0.234 0.000 2.678 332 F HA 0.609 5.136 4.527 -0.000 0.000 0.308 332 F C -1.760 174.189 175.800 0.250 0.000 1.118 332 F CA -1.351 56.747 58.000 0.164 0.000 0.959 332 F CB 0.860 39.886 39.000 0.044 0.000 1.305 332 F HN 0.285 nan 8.300 nan 0.000 0.443 333 L N 2.940 124.325 121.223 0.270 0.000 2.353 333 L HA 0.374 4.714 4.340 -0.000 0.000 0.269 333 L C -1.984 174.945 176.870 0.098 0.000 1.085 333 L CA -1.648 53.239 54.840 0.078 0.000 0.938 333 L CB 0.954 42.909 42.059 -0.173 0.000 1.312 333 L HN 0.435 nan 8.230 nan 0.000 0.429 334 P HA -0.199 nan 4.420 nan 0.000 0.222 334 P C 1.240 178.532 177.300 -0.013 0.000 1.142 334 P CA 1.034 64.280 63.100 0.242 0.000 0.788 334 P CB 0.428 32.327 31.700 0.332 0.000 0.767 335 A N -0.207 122.459 122.820 -0.257 0.000 1.901 335 A HA 0.001 4.321 4.320 -0.000 0.000 0.210 335 A C 1.871 179.096 177.584 -0.598 0.000 1.208 335 A CA 1.005 52.500 52.037 -0.904 0.000 0.644 335 A CB -0.957 17.580 19.000 -0.771 0.000 0.863 335 A HN 0.141 nan 8.150 nan 0.000 0.454 336 M N -2.604 116.863 119.600 -0.222 0.000 2.495 336 M HA 0.238 4.718 4.480 -0.000 0.000 0.237 336 M C -0.168 176.269 176.300 0.228 0.000 1.131 336 M CA 0.557 55.869 55.300 0.020 0.000 1.032 336 M CB -0.480 32.118 32.600 -0.002 0.000 1.513 336 M HN 0.231 nan 8.290 nan 0.000 0.488 337 N N 2.420 121.168 118.700 0.080 0.000 2.754 337 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 337 N C -0.800 174.710 175.510 0.001 0.000 1.093 337 N CA 0.560 53.624 53.050 0.024 0.000 0.699 337 N CB -1.866 36.541 38.487 -0.133 0.000 1.016 337 N HN 0.683 nan 8.380 nan 0.000 0.552 338 N N 0.533 119.221 118.700 -0.019 0.000 2.479 338 N HA 0.491 5.231 4.740 -0.000 0.000 0.285 338 N C -0.755 174.710 175.510 -0.075 0.000 1.075 338 N CA -0.060 52.954 53.050 -0.059 0.000 0.967 338 N CB 0.743 39.121 38.487 -0.183 0.000 1.137 338 N HN 0.096 nan 8.380 nan 0.000 0.472 339 I N 2.839 123.248 120.570 -0.268 0.000 2.582 339 I HA 0.426 4.596 4.170 -0.000 0.000 0.292 339 I C -0.412 175.380 176.117 -0.541 0.000 1.066 339 I CA -0.567 60.471 61.300 -0.436 0.000 1.053 339 I CB 1.913 39.388 38.000 -0.876 0.000 1.241 339 I HN 0.464 nan 8.210 nan 0.000 0.421 340 R N 5.859 126.069 120.500 -0.482 0.000 2.673 340 R HA 0.810 5.150 4.340 -0.000 0.000 0.281 340 R C -1.595 174.238 176.300 -0.778 0.000 0.991 340 R CA -0.814 54.891 56.100 -0.658 0.000 0.896 340 R CB 1.865 31.576 30.300 -0.981 0.000 1.201 340 R HN 0.420 nan 8.270 nan 0.000 0.457 341 I N 1.483 121.683 120.570 -0.616 0.000 2.354 341 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 341 I C -0.749 174.894 176.117 -0.789 0.000 0.989 341 I CA -0.707 60.222 61.300 -0.618 0.000 1.188 341 I CB 1.092 38.853 38.000 -0.398 0.000 1.342 341 I HN 0.479 nan 8.210 nan 0.000 0.457 342 W N 5.062 126.181 121.300 -0.302 0.000 2.308 342 W HA 0.354 5.014 4.660 -0.000 0.000 0.311 342 W C 0.003 176.343 176.519 -0.298 0.000 1.088 342 W CA -0.646 56.540 57.345 -0.265 0.000 1.309 342 W CB 0.159 29.561 29.460 -0.096 0.000 1.229 342 W HN 0.355 nan 8.180 nan 0.000 0.427 343 H N 4.449 123.475 119.070 -0.074 0.000 2.705 343 H HA 0.193 4.749 4.556 -0.000 0.000 0.291 343 H C -2.061 173.161 175.328 -0.176 0.000 1.085 343 H CA -2.651 53.243 56.048 -0.256 0.000 1.357 343 H CB 0.475 29.919 29.762 -0.530 0.000 1.419 343 H HN 0.104 nan 8.280 nan 0.000 0.462 344 P HA 0.133 nan 4.420 nan 0.000 0.276 344 P C 0.141 177.401 177.300 -0.067 0.000 1.235 344 P CA -0.484 62.580 63.100 -0.061 0.000 0.772 344 P CB 1.110 32.654 31.700 -0.259 0.000 0.871 345 R N 2.629 123.094 120.500 -0.058 0.000 2.886 345 R HA 0.504 4.844 4.340 -0.000 0.000 0.306 345 R C 0.711 176.879 176.300 -0.221 0.000 1.300 345 R CA -0.254 55.784 56.100 -0.104 0.000 1.441 345 R CB 0.256 30.507 30.300 -0.081 0.000 1.328 345 R HN 0.900 nan 8.270 nan 0.000 0.629 346 G N 1.955 110.426 108.800 -0.550 0.000 2.710 346 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.668 346 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.668 346 G C -2.044 172.260 174.900 -0.993 0.000 1.320 346 G CA -0.684 43.761 45.100 -1.091 0.000 0.860 346 G HN 0.093 nan 8.290 nan 0.000 0.538 347 P HA -0.004 nan 4.420 nan 0.000 0.223 347 P C 0.821 178.061 177.300 -0.099 0.000 1.151 347 P CA 1.255 64.216 63.100 -0.232 0.000 0.787 347 P CB 0.046 31.700 31.700 -0.076 0.000 0.788 348 N N -0.298 118.338 118.700 -0.106 0.000 2.238 348 N HA 0.121 4.861 4.740 -0.000 0.000 0.222 348 N C 0.142 175.644 175.510 -0.014 0.000 1.133 348 N CA 0.189 53.223 53.050 -0.026 0.000 0.854 348 N CB 1.199 39.681 38.487 -0.008 0.000 1.041 348 N HN 0.350 nan 8.380 nan 0.000 0.510 349 E N 0.771 120.948 120.200 -0.039 0.000 2.390 349 E HA 0.474 4.824 4.350 -0.000 0.000 0.280 349 E C -1.422 175.181 176.600 0.005 0.000 0.992 349 E CA -0.627 55.770 56.400 -0.004 0.000 0.790 349 E CB 2.269 31.962 29.700 -0.012 0.000 1.248 349 E HN 0.095 nan 8.360 nan 0.000 0.447 350 I N -1.558 119.037 120.570 0.041 0.000 3.102 350 I HA 0.585 4.755 4.170 -0.000 0.000 0.310 350 I C -1.033 175.129 176.117 0.076 0.000 1.246 350 I CA -0.936 60.398 61.300 0.058 0.000 0.979 350 I CB 2.317 40.367 38.000 0.084 0.000 1.267 350 I HN 0.358 nan 8.210 nan 0.000 0.451 351 E N 1.767 122.015 120.200 0.080 0.000 2.207 351 E HA 0.596 4.946 4.350 -0.000 0.000 0.270 351 E C -1.352 175.283 176.600 0.058 0.000 0.927 351 E CA -1.048 55.423 56.400 0.119 0.000 0.799 351 E CB 3.027 32.887 29.700 0.265 0.000 1.172 351 E HN 0.420 nan 8.360 nan 0.000 0.404 352 V N 2.505 122.328 119.914 -0.151 0.000 2.370 352 V HA 0.246 4.366 4.120 -0.000 0.000 0.283 352 V C -1.050 174.923 176.094 -0.202 0.000 1.023 352 V CA -0.809 61.239 62.300 -0.420 0.000 0.857 352 V CB 0.262 31.367 31.823 -1.197 0.000 0.985 352 V HN 0.596 nan 8.190 nan 0.000 0.443 353 W N 3.533 124.567 121.300 -0.442 0.000 2.361 353 W HA 0.784 5.444 4.660 -0.000 0.000 0.314 353 W C 0.132 176.562 176.519 -0.149 0.000 1.041 353 W CA -0.833 56.394 57.345 -0.196 0.000 1.241 353 W CB 1.619 31.021 29.460 -0.096 0.000 1.279 353 W HN 0.661 nan 8.180 nan 0.000 0.436 354 A N 5.059 127.990 122.820 0.185 0.000 2.365 354 A HA 0.981 5.301 4.320 -0.000 0.000 0.318 354 A C -1.307 176.501 177.584 0.373 0.000 1.091 354 A CA -0.538 51.617 52.037 0.197 0.000 0.763 354 A CB 1.145 20.328 19.000 0.306 0.000 1.248 354 A HN 0.609 nan 8.150 nan 0.000 0.442 355 F N -0.681 119.338 119.950 0.114 0.000 2.789 355 F HA 0.879 5.406 4.527 -0.000 0.000 0.319 355 F C -0.258 175.605 175.800 0.104 0.000 1.168 355 F CA -0.367 57.708 58.000 0.125 0.000 0.934 355 F CB 1.573 40.674 39.000 0.168 0.000 1.375 355 F HN 0.702 nan 8.300 nan 0.000 0.480 356 T N -0.163 114.507 114.554 0.193 0.000 2.909 356 T HA 0.747 5.096 4.350 -0.000 0.000 0.299 356 T C -1.446 173.271 174.700 0.029 0.000 1.073 356 T CA -0.746 61.378 62.100 0.040 0.000 0.999 356 T CB 1.722 70.646 68.868 0.093 0.000 1.098 356 T HN 0.848 nan 8.240 nan 0.000 0.477 357 L N 2.613 123.786 121.223 -0.084 0.000 2.334 357 L HA 0.861 5.201 4.340 -0.000 0.000 0.273 357 L C -0.228 176.472 176.870 -0.283 0.000 1.013 357 L CA -1.345 53.402 54.840 -0.154 0.000 0.816 357 L CB 2.036 44.019 42.059 -0.126 0.000 1.278 357 L HN 0.797 nan 8.230 nan 0.000 0.431 358 V N -2.412 117.337 119.914 -0.274 0.000 2.962 358 V HA 0.510 4.630 4.120 -0.000 0.000 0.313 358 V C -0.750 175.237 176.094 -0.178 0.000 1.099 358 V CA -1.071 61.026 62.300 -0.339 0.000 0.971 358 V CB 2.075 33.731 31.823 -0.280 0.000 1.028 358 V HN 0.534 nan 8.190 nan 0.000 0.430 359 D N 1.886 122.224 120.400 -0.104 0.000 2.455 359 D HA 0.335 4.975 4.640 -0.000 0.000 0.241 359 D C 1.222 177.514 176.300 -0.014 0.000 1.138 359 D CA 0.811 54.813 54.000 0.004 0.000 0.877 359 D CB 1.953 42.832 40.800 0.132 0.000 1.187 359 D HN 0.921 nan 8.370 nan 0.000 0.451 360 A N 3.105 125.919 122.820 -0.010 0.000 1.978 360 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 360 A C 1.324 178.910 177.584 0.004 0.000 1.170 360 A CA 1.599 53.626 52.037 -0.016 0.000 0.636 360 A CB -0.119 18.875 19.000 -0.010 0.000 0.810 360 A HN 0.607 nan 8.150 nan 0.000 0.448 361 D N -0.703 119.715 120.400 0.030 0.000 2.363 361 D HA 0.427 5.067 4.640 -0.000 0.000 0.214 361 D C 0.560 176.909 176.300 0.082 0.000 1.093 361 D CA 0.317 54.344 54.000 0.045 0.000 0.837 361 D CB -0.575 40.251 40.800 0.042 0.000 0.948 361 D HN 0.371 nan 8.370 nan 0.000 0.507 362 A N 1.258 124.131 122.820 0.088 0.000 2.483 362 A HA 0.447 4.767 4.320 -0.000 0.000 0.238 362 A C -2.221 175.390 177.584 0.045 0.000 1.070 362 A CA -0.864 51.233 52.037 0.101 0.000 0.770 362 A CB -0.153 18.819 19.000 -0.048 0.000 1.008 362 A HN 0.098 nan 8.150 nan 0.000 0.497 363 P HA 0.307 nan 4.420 nan 0.000 0.274 363 P C 0.770 178.077 177.300 0.012 0.000 1.231 363 P CA 0.340 63.468 63.100 0.047 0.000 0.790 363 P CB 0.883 32.630 31.700 0.079 0.000 0.951 364 A N 2.243 125.072 122.820 0.015 0.000 1.948 364 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 364 A C 1.808 179.398 177.584 0.010 0.000 1.177 364 A CA 1.854 53.896 52.037 0.009 0.000 0.636 364 A CB -1.211 17.795 19.000 0.010 0.000 0.815 364 A HN 0.553 nan 8.150 nan 0.000 0.449 365 E N -0.044 120.165 120.200 0.015 0.000 2.118 365 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 365 E C 1.767 178.375 176.600 0.013 0.000 0.992 365 E CA 1.126 57.536 56.400 0.017 0.000 0.804 365 E CB -0.251 29.466 29.700 0.028 0.000 0.741 365 E HN 0.591 nan 8.360 nan 0.000 0.458 366 I N 0.727 121.293 120.570 -0.007 0.000 2.400 366 I HA -0.120 4.050 4.170 -0.000 0.000 0.248 366 I C 1.835 177.980 176.117 0.048 0.000 1.109 366 I CA 1.042 62.316 61.300 -0.043 0.000 1.425 366 I CB -0.850 37.007 38.000 -0.238 0.000 1.094 366 I HN 0.083 nan 8.210 nan 0.000 0.425 367 K N 0.653 121.070 120.400 0.027 0.000 2.044 367 K HA -0.264 4.056 4.320 -0.000 0.000 0.210 367 K C 2.009 178.657 176.600 0.079 0.000 1.049 367 K CA 1.802 58.123 56.287 0.057 0.000 0.927 367 K CB -0.160 32.341 32.500 0.002 0.000 0.713 367 K HN 0.139 nan 8.250 nan 0.000 0.443 368 E N 1.379 121.604 120.200 0.041 0.000 2.085 368 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 368 E C 1.805 178.420 176.600 0.025 0.000 0.994 368 E CA 1.469 57.884 56.400 0.024 0.000 0.801 368 E CB 0.042 29.745 29.700 0.005 0.000 0.743 368 E HN 0.176 nan 8.360 nan 0.000 0.453 369 E N -0.546 119.678 120.200 0.040 0.000 2.072 369 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 369 E C 2.093 178.754 176.600 0.102 0.000 0.985 369 E CA 0.978 57.413 56.400 0.058 0.000 0.801 369 E CB -0.494 29.234 29.700 0.047 0.000 0.750 369 E HN 0.487 nan 8.360 nan 0.000 0.452 370 Y N 0.918 121.248 120.300 0.051 0.000 2.274 370 Y HA -0.183 4.367 4.550 -0.000 0.000 0.290 370 Y C 2.726 178.659 175.900 0.055 0.000 1.145 370 Y CA 1.474 59.604 58.100 0.050 0.000 1.203 370 Y CB 0.075 38.532 38.460 -0.004 0.000 0.984 370 Y HN -0.027 nan 8.280 nan 0.000 0.533 371 R N 0.283 120.890 120.500 0.178 0.000 2.055 371 R HA -0.089 4.251 4.340 -0.000 0.000 0.226 371 R C 2.296 178.623 176.300 0.045 0.000 1.135 371 R CA 0.989 57.151 56.100 0.104 0.000 0.959 371 R CB -0.121 30.215 30.300 0.061 0.000 0.854 371 R HN 0.198 nan 8.270 nan 0.000 0.431 372 R N -0.640 119.838 120.500 -0.036 0.000 2.083 372 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 372 R C 2.106 178.295 176.300 -0.184 0.000 1.137 372 R CA 2.162 58.167 56.100 -0.158 0.000 0.951 372 R CB -0.456 29.661 30.300 -0.305 0.000 0.851 372 R HN 0.493 nan 8.270 nan 0.000 0.434 373 H N -0.556 118.501 119.070 -0.023 0.000 2.529 373 H HA 0.079 4.635 4.556 -0.000 0.000 0.277 373 H C 1.763 177.069 175.328 -0.038 0.000 0.999 373 H CA 0.546 56.557 56.048 -0.061 0.000 1.256 373 H CB 0.130 29.835 29.762 -0.095 0.000 1.402 373 H HN 0.242 nan 8.280 nan 0.000 0.566 374 N N 0.348 119.149 118.700 0.168 0.000 2.171 374 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 374 N C 1.671 177.263 175.510 0.137 0.000 1.021 374 N CA 0.957 54.156 53.050 0.249 0.000 0.854 374 N CB 0.172 38.825 38.487 0.277 0.000 0.994 374 N HN 0.298 nan 8.380 nan 0.000 0.426 375 I N 1.214 121.822 120.570 0.063 0.000 2.127 375 I HA -0.274 3.896 4.170 -0.000 0.000 0.241 375 I C 2.689 178.778 176.117 -0.048 0.000 1.075 375 I CA 1.130 62.436 61.300 0.010 0.000 1.334 375 I CB -0.270 37.723 38.000 -0.011 0.000 1.040 375 I HN 0.079 nan 8.210 nan 0.000 0.405 376 R N 0.742 121.197 120.500 -0.075 0.000 2.127 376 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 376 R C 1.923 178.126 176.300 -0.162 0.000 1.134 376 R CA 1.612 57.654 56.100 -0.096 0.000 0.975 376 R CB -0.037 30.221 30.300 -0.070 0.000 0.865 376 R HN 0.455 nan 8.270 nan 0.000 0.447 377 N N -1.187 117.315 118.700 -0.330 0.000 2.499 377 N HA 0.002 4.742 4.740 -0.000 0.000 0.182 377 N C 0.231 175.299 175.510 -0.738 0.000 1.034 377 N CA 0.843 53.449 53.050 -0.740 0.000 0.882 377 N CB 0.440 37.993 38.487 -1.556 0.000 1.125 377 N HN 0.125 nan 8.380 nan 0.000 0.436 378 F N 0.582 120.574 119.950 0.069 0.000 2.775 378 F HA 0.309 4.836 4.527 -0.000 0.000 0.313 378 F C 1.175 177.023 175.800 0.080 0.000 1.121 378 F CA -0.789 57.288 58.000 0.128 0.000 1.206 378 F CB -0.252 38.855 39.000 0.178 0.000 1.052 378 F HN -0.189 nan 8.300 nan 0.000 0.524 379 S N 0.494 116.221 115.700 0.045 0.000 2.596 379 S HA 0.588 5.058 4.470 -0.000 0.000 0.262 379 S C 1.775 176.049 174.600 -0.543 0.000 1.218 379 S CA -0.028 58.072 58.200 -0.167 0.000 0.998 379 S CB 0.669 63.803 63.200 -0.110 0.000 1.060 379 S HN 0.137 nan 8.310 nan 0.000 0.552 380 A N 0.047 122.372 122.820 -0.824 0.000 1.972 380 A HA 0.221 4.541 4.320 -0.000 0.000 0.219 380 A C 1.882 179.202 177.584 -0.440 0.000 1.169 380 A CA 1.331 52.769 52.037 -0.999 0.000 0.635 380 A CB -1.490 17.038 19.000 -0.787 0.000 0.810 380 A HN 1.160 nan 8.150 nan 0.000 0.446 381 G N -0.432 108.207 108.800 -0.269 0.000 3.523 381 G HA2 0.434 4.394 3.960 -0.000 0.000 0.270 381 G HA3 0.434 4.394 3.960 -0.000 0.000 0.270 381 G C 0.616 175.450 174.900 -0.109 0.000 1.134 381 G CA 0.372 45.383 45.100 -0.149 0.000 0.825 381 G HN 0.674 nan 8.290 nan 0.000 0.534 382 G N -0.190 108.541 108.800 -0.114 0.000 2.544 382 G HA2 0.324 4.284 3.960 -0.000 0.000 0.242 382 G HA3 0.324 4.284 3.960 -0.000 0.000 0.242 382 G C 1.265 176.148 174.900 -0.028 0.000 1.247 382 G CA 0.278 45.331 45.100 -0.078 0.000 0.840 382 G HN 0.558 nan 8.290 nan 0.000 0.578 383 V N -0.651 119.250 119.914 -0.022 0.000 3.041 383 V HA 0.089 4.209 4.120 -0.000 0.000 0.260 383 V C 1.885 178.005 176.094 0.043 0.000 1.105 383 V CA 1.096 63.401 62.300 0.010 0.000 1.125 383 V CB -0.854 30.974 31.823 0.007 0.000 0.730 383 V HN 0.494 nan 8.190 nan 0.000 0.479 384 F N 1.174 121.045 119.950 -0.132 0.000 2.274 384 F HA 0.225 4.752 4.527 -0.000 0.000 0.288 384 F C 2.451 178.380 175.800 0.214 0.000 1.069 384 F CA 1.407 59.379 58.000 -0.047 0.000 1.343 384 F CB -0.438 38.422 39.000 -0.233 0.000 1.089 384 F HN 0.208 nan 8.300 nan 0.000 0.517 385 E N 0.575 120.994 120.200 0.366 0.000 2.118 385 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 385 E C 2.013 178.719 176.600 0.177 0.000 0.992 385 E CA 1.580 58.182 56.400 0.337 0.000 0.804 385 E CB -0.331 29.553 29.700 0.306 0.000 0.741 385 E HN 0.412 nan 8.360 nan 0.000 0.458 386 Q N -0.257 119.593 119.800 0.084 0.000 2.133 386 Q HA -0.212 4.128 4.340 -0.000 0.000 0.208 386 Q C 1.485 177.484 176.000 -0.003 0.000 0.991 386 Q CA 1.816 57.631 55.803 0.021 0.000 0.867 386 Q CB -0.091 28.639 28.738 -0.014 0.000 0.911 386 Q HN 0.403 nan 8.270 nan 0.000 0.417 387 D N -0.172 120.221 120.400 -0.012 0.000 2.183 387 D HA -0.084 4.556 4.640 -0.000 0.000 0.205 387 D C 1.338 177.495 176.300 -0.237 0.000 0.962 387 D CA 0.626 54.552 54.000 -0.124 0.000 0.849 387 D CB -0.186 40.504 40.800 -0.183 0.000 0.978 387 D HN 0.207 nan 8.370 nan 0.000 0.488 388 D N 0.824 121.094 120.400 -0.217 0.000 2.108 388 D HA -0.143 4.497 4.640 -0.000 0.000 0.190 388 D C 2.138 177.890 176.300 -0.912 0.000 0.995 388 D CA 1.582 55.221 54.000 -0.602 0.000 0.834 388 D CB -0.467 40.038 40.800 -0.492 0.000 0.967 388 D HN 0.256 nan 8.370 nan 0.000 0.446 389 G N 0.817 109.359 108.800 -0.428 0.000 2.422 389 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 389 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 389 G C 1.543 176.456 174.900 0.021 0.000 1.146 389 G CA 1.103 46.198 45.100 -0.008 0.000 0.769 389 G HN 0.264 nan 8.290 nan 0.000 0.547 390 E N 1.590 121.757 120.200 -0.055 0.000 2.058 390 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 390 E C 2.123 178.679 176.600 -0.074 0.000 0.997 390 E CA 1.948 58.322 56.400 -0.044 0.000 0.801 390 E CB -0.697 28.963 29.700 -0.067 0.000 0.746 390 E HN 0.579 nan 8.360 nan 0.000 0.450 391 N N -0.763 117.836 118.700 -0.169 0.000 2.084 391 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 391 N C 1.355 176.821 175.510 -0.073 0.000 1.030 391 N CA 1.369 54.316 53.050 -0.171 0.000 0.849 391 N CB -0.308 38.020 38.487 -0.266 0.000 1.012 391 N HN 0.263 nan 8.380 nan 0.000 0.423 392 W N 0.924 122.135 121.300 -0.149 0.000 2.350 392 W HA -0.010 4.650 4.660 -0.000 0.000 0.289 392 W C 1.962 178.386 176.519 -0.158 0.000 1.215 392 W CA 0.294 57.516 57.345 -0.205 0.000 1.236 392 W CB -1.132 28.268 29.460 -0.101 0.000 1.130 392 W HN -0.071 nan 8.180 nan 0.000 0.541 393 V N 0.510 120.510 119.914 0.144 0.000 2.407 393 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 393 V C 2.312 178.416 176.094 0.017 0.000 1.055 393 V CA 1.872 64.222 62.300 0.084 0.000 1.049 393 V CB -0.452 31.420 31.823 0.082 0.000 0.662 393 V HN -0.000 nan 8.190 nan 0.000 0.455 394 E N -0.215 119.973 120.200 -0.020 0.000 2.112 394 E HA -0.031 4.319 4.350 -0.000 0.000 0.190 394 E C 2.153 178.703 176.600 -0.083 0.000 0.979 394 E CA 0.824 57.196 56.400 -0.046 0.000 0.814 394 E CB -0.219 29.446 29.700 -0.058 0.000 0.762 394 E HN 0.553 nan 8.360 nan 0.000 0.460 395 I N 1.163 121.644 120.570 -0.149 0.000 2.091 395 I HA -0.350 3.820 4.170 -0.000 0.000 0.239 395 I C 2.649 178.663 176.117 -0.171 0.000 1.061 395 I CA 1.486 62.630 61.300 -0.260 0.000 1.317 395 I CB -0.287 37.361 38.000 -0.587 0.000 1.031 395 I HN 0.078 nan 8.210 nan 0.000 0.401 396 Q N 0.975 120.708 119.800 -0.113 0.000 2.124 396 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 396 Q C 1.982 177.990 176.000 0.014 0.000 0.977 396 Q CA 1.693 57.497 55.803 0.003 0.000 0.850 396 Q CB -0.132 28.633 28.738 0.044 0.000 0.901 396 Q HN 0.229 nan 8.270 nan 0.000 0.429 397 K N -0.594 119.805 120.400 -0.001 0.000 2.009 397 K HA -0.077 4.243 4.320 -0.000 0.000 0.210 397 K C 1.907 178.509 176.600 0.003 0.000 1.049 397 K CA 1.966 58.256 56.287 0.006 0.000 0.929 397 K CB -1.164 31.336 32.500 0.000 0.000 0.714 397 K HN 0.266 nan 8.250 nan 0.000 0.440 398 G N 0.955 109.745 108.800 -0.015 0.000 2.503 398 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.221 398 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.221 398 G C 1.309 176.213 174.900 0.007 0.000 1.131 398 G CA 1.304 46.396 45.100 -0.013 0.000 0.756 398 G HN 0.355 nan 8.290 nan 0.000 0.572 399 L N -0.213 121.021 121.223 0.019 0.000 2.610 399 L HA 0.157 4.497 4.340 -0.000 0.000 0.232 399 L C 2.734 179.640 176.870 0.060 0.000 1.149 399 L CA -0.030 54.839 54.840 0.049 0.000 0.872 399 L CB -0.183 41.930 42.059 0.090 0.000 0.992 399 L HN 0.181 nan 8.230 nan 0.000 0.447 400 R N 0.663 121.194 120.500 0.051 0.000 2.148 400 R HA 0.006 4.346 4.340 -0.000 0.000 0.227 400 R C 1.269 177.611 176.300 0.070 0.000 1.103 400 R CA 0.553 56.688 56.100 0.058 0.000 0.983 400 R CB -0.255 30.073 30.300 0.046 0.000 0.874 400 R HN 0.315 nan 8.270 nan 0.000 0.451 401 G N -0.404 108.433 108.800 0.061 0.000 2.442 401 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.249 401 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.249 401 G C 0.061 175.022 174.900 0.101 0.000 1.263 401 G CA -0.414 44.734 45.100 0.079 0.000 0.846 401 G HN 0.186 nan 8.290 nan 0.000 0.555 402 Y N 1.996 122.311 120.300 0.025 0.000 2.128 402 Y HA -0.157 4.393 4.550 -0.000 0.000 0.284 402 Y C 2.451 178.367 175.900 0.027 0.000 1.154 402 Y CA 2.081 60.197 58.100 0.027 0.000 1.149 402 Y CB 0.183 38.656 38.460 0.021 0.000 0.976 402 Y HN 0.389 nan 8.280 nan 0.000 0.505 403 K N 0.504 120.813 120.400 -0.151 0.000 2.148 403 K HA -0.019 4.301 4.320 -0.000 0.000 0.204 403 K C 2.320 178.823 176.600 -0.161 0.000 1.050 403 K CA 0.999 57.148 56.287 -0.230 0.000 0.942 403 K CB -0.916 31.562 32.500 -0.036 0.000 0.724 403 K HN 0.456 nan 8.250 nan 0.000 0.446 404 A N 1.605 124.379 122.820 -0.077 0.000 2.084 404 A HA -0.181 4.139 4.320 -0.000 0.000 0.221 404 A C 1.662 179.218 177.584 -0.046 0.000 1.161 404 A CA 1.610 53.622 52.037 -0.042 0.000 0.653 404 A CB -0.179 18.819 19.000 -0.005 0.000 0.802 404 A HN 0.308 nan 8.150 nan 0.000 0.457 405 K N -0.582 119.764 120.400 -0.090 0.000 2.374 405 K HA 0.069 4.389 4.320 -0.000 0.000 0.202 405 K C 1.520 178.046 176.600 -0.123 0.000 1.040 405 K CA 0.657 56.905 56.287 -0.065 0.000 1.085 405 K CB 0.449 32.940 32.500 -0.015 0.000 0.873 405 K HN 0.513 nan 8.250 nan 0.000 0.539 406 S N 0.274 115.838 115.700 -0.227 0.000 2.527 406 S HA 0.023 4.493 4.470 -0.000 0.000 0.222 406 S C 0.568 175.097 174.600 -0.119 0.000 0.985 406 S CA 0.038 58.094 58.200 -0.240 0.000 0.921 406 S CB 0.050 63.005 63.200 -0.408 0.000 0.772 406 S HN 0.161 nan 8.310 nan 0.000 0.529 407 Q N 1.817 121.565 119.800 -0.086 0.000 2.347 407 Q HA 0.499 4.839 4.340 -0.000 0.000 0.271 407 Q C -2.824 173.153 176.000 -0.037 0.000 1.064 407 Q CA -2.621 53.151 55.803 -0.052 0.000 0.800 407 Q CB 2.328 31.038 28.738 -0.046 0.000 1.304 407 Q HN 0.207 nan 8.270 nan 0.000 0.438 408 P HA 0.008 nan 4.420 nan 0.000 0.269 408 P C -0.811 176.471 177.300 -0.030 0.000 1.217 408 P CA 0.120 63.199 63.100 -0.034 0.000 0.783 408 P CB 0.849 32.528 31.700 -0.034 0.000 0.898 409 L N 1.218 122.420 121.223 -0.035 0.000 2.352 409 L HA 0.350 4.690 4.340 -0.000 0.000 0.269 409 L C 0.988 177.836 176.870 -0.036 0.000 1.034 409 L CA -0.779 54.047 54.840 -0.024 0.000 0.806 409 L CB 0.726 42.785 42.059 0.001 0.000 1.244 409 L HN 0.338 nan 8.230 nan 0.000 0.447 410 N N 0.874 119.561 118.700 -0.022 0.000 2.415 410 N HA 0.373 5.113 4.740 -0.000 0.000 0.246 410 N C -0.395 175.103 175.510 -0.021 0.000 1.078 410 N CA -0.036 53.003 53.050 -0.019 0.000 0.942 410 N CB 0.793 39.278 38.487 -0.004 0.000 1.140 410 N HN 0.658 nan 8.380 nan 0.000 0.501 411 A N 3.478 126.276 122.820 -0.036 0.000 2.985 411 A HA 0.178 4.498 4.320 -0.000 0.000 0.303 411 A C 0.644 178.209 177.584 -0.031 0.000 1.048 411 A CA -0.408 51.610 52.037 -0.032 0.000 1.016 411 A CB 0.181 19.151 19.000 -0.050 0.000 1.118 411 A HN 0.782 nan 8.150 nan 0.000 0.529 412 Q N -0.474 119.307 119.800 -0.032 0.000 2.408 412 Q HA 0.204 4.544 4.340 -0.000 0.000 0.205 412 Q C 0.762 176.740 176.000 -0.038 0.000 0.919 412 Q CA -0.004 55.780 55.803 -0.030 0.000 0.932 412 Q CB 0.179 28.902 28.738 -0.024 0.000 1.058 412 Q HN 0.795 nan 8.270 nan 0.000 0.517 413 M N 0.566 120.131 119.600 -0.059 0.000 2.284 413 M HA 0.030 4.510 4.480 -0.000 0.000 0.351 413 M C 0.513 176.782 176.300 -0.052 0.000 1.443 413 M CA 1.237 56.484 55.300 -0.087 0.000 1.031 413 M CB 0.198 32.682 32.600 -0.195 0.000 1.893 413 M HN 0.438 nan 8.290 nan 0.000 0.456 414 G N 4.342 113.129 108.800 -0.022 0.000 2.198 414 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 414 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 414 G C -0.470 174.430 174.900 -0.000 0.000 1.025 414 G CA 0.224 45.330 45.100 0.011 0.000 0.769 414 G HN 0.722 nan 8.290 nan 0.000 0.507 415 L N 0.055 121.272 121.223 -0.011 0.000 2.367 415 L HA 0.594 4.934 4.340 -0.000 0.000 0.275 415 L C 1.533 178.399 176.870 -0.008 0.000 1.129 415 L CA 1.606 56.437 54.840 -0.015 0.000 0.839 415 L CB 0.881 42.928 42.059 -0.020 0.000 1.133 415 L HN 1.417 nan 8.230 nan 0.000 0.453 416 G N 3.975 112.770 108.800 -0.009 0.000 2.225 416 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.254 416 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.254 416 G C 1.206 176.111 174.900 0.008 0.000 0.988 416 G CA 0.509 45.607 45.100 -0.003 0.000 0.625 416 G HN 0.632 nan 8.290 nan 0.000 0.527 417 R N 0.616 121.124 120.500 0.014 0.000 2.310 417 R HA 0.236 4.576 4.340 -0.000 0.000 0.202 417 R C 0.486 176.812 176.300 0.043 0.000 0.933 417 R CA 0.631 56.748 56.100 0.028 0.000 1.054 417 R CB 0.201 30.522 30.300 0.034 0.000 0.985 417 R HN 0.365 nan 8.270 nan 0.000 0.489 418 S N 2.412 118.132 115.700 0.033 0.000 2.474 418 S HA 0.106 4.576 4.470 -0.000 0.000 0.276 418 S C -0.147 174.490 174.600 0.062 0.000 1.227 418 S CA -0.431 57.796 58.200 0.045 0.000 1.050 418 S CB 0.988 64.196 63.200 0.014 0.000 0.939 418 S HN 0.170 nan 8.310 nan 0.000 0.490 419 Q N 0.720 120.580 119.800 0.101 0.000 2.333 419 Q HA 0.379 4.719 4.340 -0.000 0.000 0.268 419 Q C 0.252 176.340 176.000 0.147 0.000 1.007 419 Q CA -0.809 55.061 55.803 0.111 0.000 0.810 419 Q CB 0.710 29.515 28.738 0.112 0.000 1.264 419 Q HN 0.661 nan 8.270 nan 0.000 0.452 420 T N -1.227 113.400 114.554 0.122 0.000 3.361 420 T HA 0.186 4.536 4.350 -0.000 0.000 0.251 420 T C 0.798 175.593 174.700 0.158 0.000 1.131 420 T CA 0.362 62.547 62.100 0.142 0.000 1.001 420 T CB -0.169 68.764 68.868 0.108 0.000 1.003 420 T HN 0.767 nan 8.240 nan 0.000 0.558 421 G N 0.139 109.038 108.800 0.164 0.000 4.867 421 G HA2 0.238 4.198 3.960 -0.000 0.000 0.258 421 G HA3 0.238 4.198 3.960 -0.000 0.000 0.258 421 G C -0.335 174.664 174.900 0.165 0.000 0.999 421 G CA -0.731 44.458 45.100 0.147 0.000 0.797 421 G HN 0.637 nan 8.290 nan 0.000 0.505 422 H N 1.768 120.923 119.070 0.140 0.000 2.972 422 H HA 0.180 4.736 4.556 -0.000 0.000 0.343 422 H C -0.534 174.848 175.328 0.090 0.000 1.054 422 H CA -0.120 56.016 56.048 0.146 0.000 1.412 422 H CB 1.688 31.603 29.762 0.254 0.000 1.385 422 H HN 0.098 nan 8.280 nan 0.000 0.600 423 P HA -0.036 nan 4.420 nan 0.000 0.227 423 P C 0.153 177.471 177.300 0.028 0.000 1.161 423 P CA 0.848 63.931 63.100 -0.028 0.000 0.788 423 P CB 0.634 32.261 31.700 -0.122 0.000 0.822 424 D N -1.056 119.453 120.400 0.181 0.000 2.323 424 D HA 0.132 4.772 4.640 -0.000 0.000 0.218 424 D C 0.105 176.126 176.300 -0.466 0.000 0.973 424 D CA 0.681 54.511 54.000 -0.282 0.000 0.890 424 D CB -0.046 40.344 40.800 -0.685 0.000 1.011 424 D HN 0.199 nan 8.370 nan 0.000 0.499 425 F N 1.523 121.636 119.950 0.272 0.000 2.507 425 F HA 0.373 4.900 4.527 -0.000 0.000 0.328 425 F C -2.118 173.808 175.800 0.210 0.000 1.136 425 F CA -2.449 55.643 58.000 0.154 0.000 0.930 425 F CB 2.053 41.194 39.000 0.235 0.000 1.166 425 F HN -0.293 nan 8.300 nan 0.000 0.436 426 P HA 0.339 nan 4.420 nan 0.000 0.272 426 P C 0.377 177.925 177.300 0.414 0.000 1.230 426 P CA 0.357 63.605 63.100 0.246 0.000 0.788 426 P CB 1.166 32.910 31.700 0.074 0.000 0.949 427 G N 1.482 110.510 108.800 0.379 0.000 2.660 427 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 427 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 427 G C -0.458 174.663 174.900 0.369 0.000 1.345 427 G CA -0.487 44.892 45.100 0.466 0.000 0.877 427 G HN 0.764 nan 8.290 nan 0.000 0.549 428 N N -0.090 118.768 118.700 0.263 0.000 2.406 428 N HA 0.446 5.186 4.740 -0.000 0.000 0.265 428 N C -0.228 175.370 175.510 0.146 0.000 1.203 428 N CA 0.261 53.390 53.050 0.132 0.000 0.945 428 N CB 0.655 39.142 38.487 0.001 0.000 1.165 428 N HN 0.807 nan 8.380 nan 0.000 0.485 429 V N 2.081 122.106 119.914 0.186 0.000 2.588 429 V HA 0.814 4.934 4.120 -0.000 0.000 0.304 429 V C 0.838 177.006 176.094 0.124 0.000 1.042 429 V CA -0.655 61.751 62.300 0.177 0.000 0.877 429 V CB 1.373 33.354 31.823 0.264 0.000 0.996 429 V HN 0.709 nan 8.190 nan 0.000 0.425 430 G N 1.931 110.753 108.800 0.038 0.000 3.247 430 G HA2 0.507 4.467 3.960 -0.000 0.000 0.226 430 G HA3 0.507 4.467 3.960 -0.000 0.000 0.226 430 G C -1.667 173.248 174.900 0.025 0.000 1.220 430 G CA -0.573 44.560 45.100 0.056 0.000 0.875 430 G HN 0.448 nan 8.290 nan 0.000 0.606 431 Y N -0.160 120.081 120.300 -0.097 0.000 2.307 431 Y HA 0.410 4.960 4.550 -0.000 0.000 0.324 431 Y C 1.535 177.294 175.900 -0.235 0.000 1.238 431 Y CA -0.312 57.705 58.100 -0.140 0.000 1.280 431 Y CB 1.691 40.113 38.460 -0.063 0.000 1.248 431 Y HN 0.267 nan 8.280 nan 0.000 0.508 432 V N 5.371 124.699 119.914 -0.977 0.000 2.282 432 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 432 V C -0.024 175.611 176.094 -0.765 0.000 1.057 432 V CA 1.788 63.501 62.300 -0.979 0.000 1.032 432 V CB -0.668 30.534 31.823 -1.034 0.000 0.645 432 V HN 0.675 nan 8.190 nan 0.000 0.447 433 Y N 1.051 120.850 120.300 -0.836 0.000 2.650 433 Y HA 0.696 5.246 4.550 -0.000 0.000 0.343 433 Y C 0.281 176.049 175.900 -0.221 0.000 1.078 433 Y CA -0.360 57.541 58.100 -0.332 0.000 1.356 433 Y CB -0.237 38.167 38.460 -0.093 0.000 1.204 433 Y HN 0.304 nan 8.280 nan 0.000 0.508 434 A N 1.642 124.426 122.820 -0.062 0.000 2.599 434 A HA 0.738 5.058 4.320 -0.000 0.000 0.290 434 A C -0.294 177.255 177.584 -0.058 0.000 1.101 434 A CA -0.925 51.076 52.037 -0.060 0.000 0.674 434 A CB 1.255 20.240 19.000 -0.024 0.000 1.277 434 A HN 0.549 nan 8.150 nan 0.000 0.419 435 E N -0.388 119.783 120.200 -0.049 0.000 2.789 435 E HA 0.108 4.458 4.350 -0.000 0.000 0.208 435 E C 0.430 177.025 176.600 -0.009 0.000 0.988 435 E CA -0.041 56.350 56.400 -0.015 0.000 1.092 435 E CB 0.896 30.587 29.700 -0.015 0.000 1.066 435 E HN 0.672 nan 8.360 nan 0.000 0.465 436 E N 1.136 121.318 120.200 -0.030 0.000 2.072 436 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 436 E C 1.865 178.426 176.600 -0.065 0.000 0.982 436 E CA 1.470 57.841 56.400 -0.048 0.000 0.803 436 E CB 0.036 29.701 29.700 -0.058 0.000 0.755 436 E HN 0.272 nan 8.360 nan 0.000 0.453 437 A N 0.999 123.779 122.820 -0.067 0.000 1.902 437 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 437 A C 2.467 180.027 177.584 -0.039 0.000 1.181 437 A CA 2.026 54.014 52.037 -0.082 0.000 0.623 437 A CB -1.132 17.841 19.000 -0.045 0.000 0.818 437 A HN 0.396 nan 8.150 nan 0.000 0.443 438 A N -0.164 122.669 122.820 0.022 0.000 1.865 438 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 438 A C 2.251 179.932 177.584 0.161 0.000 1.191 438 A CA 1.730 53.820 52.037 0.088 0.000 0.623 438 A CB -0.563 18.539 19.000 0.169 0.000 0.826 438 A HN 0.540 nan 8.150 nan 0.000 0.444 439 R N -1.154 119.413 120.500 0.111 0.000 2.105 439 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 439 R C 2.326 178.666 176.300 0.067 0.000 1.135 439 R CA 1.210 57.370 56.100 0.099 0.000 0.967 439 R CB -0.582 29.724 30.300 0.011 0.000 0.861 439 R HN 0.568 nan 8.270 nan 0.000 0.442 440 G N 0.406 109.193 108.800 -0.021 0.000 2.421 440 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 440 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 440 G C 1.363 176.182 174.900 -0.134 0.000 1.143 440 G CA 0.173 45.226 45.100 -0.077 0.000 0.784 440 G HN 0.163 nan 8.290 nan 0.000 0.541 441 M N -0.534 118.968 119.600 -0.163 0.000 2.059 441 M HA -0.067 4.413 4.480 -0.000 0.000 0.259 441 M C 2.420 178.543 176.300 -0.295 0.000 1.072 441 M CA 1.541 56.668 55.300 -0.289 0.000 1.117 441 M CB -0.222 32.211 32.600 -0.279 0.000 1.320 441 M HN 0.357 nan 8.290 nan 0.000 0.408 442 Y N -1.333 118.939 120.300 -0.047 0.000 2.256 442 Y HA -0.310 4.240 4.550 -0.000 0.000 0.288 442 Y C 2.449 178.392 175.900 0.072 0.000 1.155 442 Y CA 1.906 60.001 58.100 -0.009 0.000 1.203 442 Y CB -0.818 37.586 38.460 -0.094 0.000 0.980 442 Y HN 0.485 nan 8.280 nan 0.000 0.530 443 H N -1.214 117.886 119.070 0.050 0.000 2.357 443 H HA -0.179 4.377 4.556 -0.000 0.000 0.301 443 H C 2.179 177.428 175.328 -0.132 0.000 1.082 443 H CA 2.213 58.246 56.048 -0.026 0.000 1.342 443 H CB -0.248 29.479 29.762 -0.057 0.000 1.389 443 H HN 0.391 nan 8.280 nan 0.000 0.511 444 H N -1.349 117.498 119.070 -0.371 0.000 2.395 444 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 444 H C 2.017 176.998 175.328 -0.579 0.000 1.070 444 H CA 1.678 57.338 56.048 -0.646 0.000 1.356 444 H CB -0.512 28.681 29.762 -0.949 0.000 1.401 444 H HN 0.532 nan 8.280 nan 0.000 0.524 445 W N 0.730 121.651 121.300 -0.632 0.000 2.317 445 W HA -0.313 4.347 4.660 -0.000 0.000 0.318 445 W C 2.418 178.784 176.519 -0.254 0.000 1.227 445 W CA 2.272 59.463 57.345 -0.257 0.000 1.269 445 W CB -0.430 29.030 29.460 -0.001 0.000 1.155 445 W HN 0.240 nan 8.180 nan 0.000 0.484 446 M N 0.986 120.531 119.600 -0.091 0.000 2.108 446 M HA -0.237 4.243 4.480 -0.000 0.000 0.261 446 M C 1.987 178.015 176.300 -0.454 0.000 1.066 446 M CA 2.002 57.130 55.300 -0.286 0.000 1.107 446 M CB -0.836 31.718 32.600 -0.076 0.000 1.356 446 M HN 0.143 nan 8.290 nan 0.000 0.406 447 R N -0.431 119.752 120.500 -0.528 0.000 2.073 447 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 447 R C 2.304 178.290 176.300 -0.523 0.000 1.134 447 R CA 1.837 57.623 56.100 -0.523 0.000 0.952 447 R CB -0.361 29.590 30.300 -0.582 0.000 0.850 447 R HN 0.473 nan 8.270 nan 0.000 0.433 448 M N -0.100 119.116 119.600 -0.641 0.000 2.149 448 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 448 M C 2.069 178.083 176.300 -0.477 0.000 1.064 448 M CA 1.433 56.405 55.300 -0.546 0.000 1.102 448 M CB -0.153 32.176 32.600 -0.452 0.000 1.369 448 M HN 0.133 nan 8.290 nan 0.000 0.408 449 M N -0.515 118.744 119.600 -0.569 0.000 2.557 449 M HA -0.045 4.435 4.480 -0.000 0.000 0.259 449 M C 2.031 178.108 176.300 -0.372 0.000 1.086 449 M CA 1.236 56.214 55.300 -0.538 0.000 1.096 449 M CB -0.871 31.226 32.600 -0.838 0.000 1.424 449 M HN 0.343 nan 8.290 nan 0.000 0.488 450 S N -1.087 114.410 115.700 -0.338 0.000 2.520 450 S HA 0.151 4.621 4.470 -0.000 0.000 0.219 450 S C 0.359 174.842 174.600 -0.196 0.000 1.028 450 S CA -0.434 57.628 58.200 -0.231 0.000 0.921 450 S CB 0.303 63.378 63.200 -0.208 0.000 0.844 450 S HN 0.449 nan 8.310 nan 0.000 0.495 451 E N 2.747 122.802 120.200 -0.242 0.000 2.207 451 E HA 0.298 4.648 4.350 -0.000 0.000 0.250 451 E C -2.219 174.232 176.600 -0.248 0.000 0.890 451 E CA -2.270 54.004 56.400 -0.209 0.000 0.749 451 E CB 1.789 31.370 29.700 -0.198 0.000 1.193 451 E HN 0.201 nan 8.360 nan 0.000 0.423 452 P HA -0.123 nan 4.420 nan 0.000 0.225 452 P C 0.359 177.558 177.300 -0.169 0.000 1.148 452 P CA 0.682 63.681 63.100 -0.168 0.000 0.779 452 P CB 0.473 32.113 31.700 -0.100 0.000 0.780 453 S N -1.311 114.301 115.700 -0.145 0.000 2.451 453 S HA 0.267 4.737 4.470 -0.000 0.000 0.301 453 S C 0.327 174.886 174.600 -0.068 0.000 1.116 453 S CA -0.759 57.402 58.200 -0.065 0.000 1.093 453 S CB 0.290 63.485 63.200 -0.008 0.000 1.017 453 S HN 0.018 nan 8.310 nan 0.000 0.482 454 W N 3.400 124.721 121.300 0.036 0.000 2.525 454 W HA 0.023 4.683 4.660 -0.000 0.000 0.259 454 W C 2.319 178.864 176.519 0.042 0.000 1.253 454 W CA 0.565 57.944 57.345 0.056 0.000 1.262 454 W CB -0.029 29.467 29.460 0.060 0.000 1.122 454 W HN 0.912 nan 8.180 nan 0.000 0.607 455 A N -0.203 122.758 122.820 0.234 0.000 2.019 455 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 455 A C 1.934 179.591 177.584 0.121 0.000 1.164 455 A CA 2.341 54.467 52.037 0.149 0.000 0.644 455 A CB -1.076 17.980 19.000 0.095 0.000 0.805 455 A HN 0.314 nan 8.150 nan 0.000 0.449 456 T N -3.956 110.659 114.554 0.102 0.000 3.015 456 T HA 0.254 4.604 4.350 -0.000 0.000 0.250 456 T C 1.720 176.491 174.700 0.118 0.000 1.057 456 T CA 0.569 62.716 62.100 0.079 0.000 1.066 456 T CB -0.139 68.746 68.868 0.027 0.000 0.959 456 T HN 0.213 nan 8.240 nan 0.000 0.488 457 L N 1.055 122.364 121.223 0.144 0.000 2.209 457 L HA 0.244 4.584 4.340 -0.000 0.000 0.207 457 L C 1.205 178.419 176.870 0.574 0.000 1.094 457 L CA 0.264 55.234 54.840 0.216 0.000 0.790 457 L CB -0.148 41.788 42.059 -0.205 0.000 0.932 457 L HN 0.383 nan 8.230 nan 0.000 0.447 458 K N 1.198 121.912 120.400 0.524 0.000 2.469 458 K HA 0.119 4.439 4.320 -0.000 0.000 0.274 458 K C -2.287 174.202 176.600 -0.185 0.000 0.983 458 K CA -1.294 55.108 56.287 0.192 0.000 0.974 458 K CB -0.537 32.025 32.500 0.103 0.000 0.913 458 K HN -0.081 nan 8.250 nan 0.000 0.493 459 P HA 0.000 nan 4.420 nan 0.000 0.216 459 P CA 0.000 62.676 63.100 -0.707 0.000 0.800 459 P CB 0.000 31.236 31.700 -0.773 0.000 0.726