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 2wtf_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSKFTWKELI QLGSPSKAYE SSLACIAHID MNAFFAQVEQ MRCGLSKEDP DATA SEQUENCE VVCVQWNSII AVSYAARKYG ISRMDTIQEA LKKCSNLIPI HTAVFKKGED DATA SEQUENCE FWQYHDGCGS WVQDPAKQIS VEDHKVSLEP YRRESRKALK IFKSACDLVE DATA SEQUENCE RASIDEVFLD LGRICFNMLM FDNEYELTGD LKLKDALSNI REAFIGGNYD DATA SEQUENCE INSHLPLIPE KIKSLKFEGD VFNPEGRDLI TDWDDVILAL GSQVCKGIRD DATA SEQUENCE SIKDILGYTT SCGLSSTKNV CKLASNYKKP DAQTIVKNDC LLDFLDCGKF DATA SEQUENCE EITSFWTLGG VLGKELIDVL DLPHENSIKH IRETWPDNAG QLKEFLDAKV DATA SEQUENCE KQSDYDRSTS NIDPLKTADL AEKLFKLSRG RYGLPLSSRP VVKSMMSNKN DATA SEQUENCE LRGKSCNSIV DCISWLEVFC AELTSRIQDL EQEYNKIVIP RTVSISLKTK DATA SEQUENCE SYEVYRKSGP VAYKGINFQS HELLKVGIKF VTDLDIKGKN KSYYPLTKLS DATA SEQUENCE MTITNFDI 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.006 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.614 32.600 0.023 0.000 1.302 2 S N 0.863 116.627 115.700 0.107 0.000 2.576 2 S HA 0.125 4.596 4.470 0.001 0.000 0.272 2 S C 0.964 175.617 174.600 0.088 0.000 1.352 2 S CA 0.307 58.602 58.200 0.159 0.000 1.021 2 S CB 0.623 64.061 63.200 0.397 0.000 0.887 2 S HN 0.769 nan 8.310 nan 0.000 0.542 3 K N 1.712 122.085 120.400 -0.044 0.000 2.459 3 K HA 0.068 4.389 4.320 0.001 0.000 0.193 3 K C -0.622 175.818 176.600 -0.266 0.000 1.030 3 K CA 0.426 56.559 56.287 -0.257 0.000 1.026 3 K CB -0.039 32.160 32.500 -0.501 0.000 0.809 3 K HN 0.582 nan 8.250 nan 0.000 0.504 4 F N 0.758 120.862 119.950 0.257 0.000 2.523 4 F HA 0.245 4.772 4.527 0.000 0.000 0.329 4 F C 0.577 176.320 175.800 -0.095 0.000 1.061 4 F CA -1.011 57.029 58.000 0.068 0.000 0.967 4 F CB 1.744 40.764 39.000 0.034 0.000 1.218 4 F HN -0.133 nan 8.300 nan 0.000 0.480 5 T N -3.255 111.292 114.554 -0.011 0.000 2.944 5 T HA 0.203 4.553 4.350 0.001 0.000 0.284 5 T C 0.506 175.123 174.700 -0.138 0.000 1.010 5 T CA -0.662 61.348 62.100 -0.150 0.000 1.025 5 T CB 1.032 69.809 68.868 -0.151 0.000 1.079 5 T HN 0.646 nan 8.240 nan 0.000 0.516 6 W N 0.628 121.857 121.300 -0.117 0.000 2.338 6 W HA -0.015 4.645 4.660 -0.000 0.000 0.304 6 W C 2.753 179.208 176.519 -0.106 0.000 1.212 6 W CA 1.290 58.526 57.345 -0.181 0.000 1.264 6 W CB -0.074 29.230 29.460 -0.261 0.000 1.142 6 W HN 0.776 nan 8.180 nan 0.000 0.512 7 K N 0.898 121.407 120.400 0.181 0.000 2.032 7 K HA -0.260 4.060 4.320 0.001 0.000 0.209 7 K C 1.715 178.318 176.600 0.004 0.000 1.048 7 K CA 2.076 58.418 56.287 0.092 0.000 0.927 7 K CB -0.356 32.182 32.500 0.063 0.000 0.712 7 K HN 0.179 nan 8.250 nan 0.000 0.441 8 E N 0.422 120.611 120.200 -0.018 0.000 2.118 8 E HA -0.220 4.130 4.350 0.001 0.000 0.195 8 E C 2.027 178.555 176.600 -0.119 0.000 0.992 8 E CA 1.183 57.551 56.400 -0.053 0.000 0.804 8 E CB -0.100 29.608 29.700 0.014 0.000 0.741 8 E HN 0.215 nan 8.360 nan 0.000 0.458 9 L N 0.967 122.102 121.223 -0.147 0.000 2.072 9 L HA -0.142 4.198 4.340 0.001 0.000 0.205 9 L C 2.009 178.765 176.870 -0.190 0.000 1.079 9 L CA 1.332 56.063 54.840 -0.181 0.000 0.752 9 L CB -0.171 41.710 42.059 -0.297 0.000 0.906 9 L HN 0.098 nan 8.230 nan 0.000 0.436 10 I N -0.615 119.866 120.570 -0.148 0.000 2.286 10 I HA -0.285 3.885 4.170 0.001 0.000 0.248 10 I C 2.484 178.371 176.117 -0.384 0.000 1.115 10 I CA 1.142 62.261 61.300 -0.302 0.000 1.392 10 I CB -1.331 36.683 38.000 0.023 0.000 1.065 10 I HN 0.476 nan 8.210 nan 0.000 0.418 11 Q N 0.552 120.220 119.800 -0.221 0.000 2.173 11 Q HA -0.219 4.121 4.340 0.001 0.000 0.208 11 Q C 2.401 178.265 176.000 -0.228 0.000 0.989 11 Q CA 1.407 57.095 55.803 -0.193 0.000 0.872 11 Q CB -0.176 28.471 28.738 -0.152 0.000 0.909 11 Q HN 0.527 nan 8.270 nan 0.000 0.420 12 L N -0.789 120.271 121.223 -0.272 0.000 2.189 12 L HA -0.170 4.170 4.340 0.001 0.000 0.214 12 L C 2.200 178.925 176.870 -0.241 0.000 1.097 12 L CA 1.072 55.784 54.840 -0.213 0.000 0.764 12 L CB -0.750 41.219 42.059 -0.150 0.000 0.900 12 L HN 0.338 nan 8.230 nan 0.000 0.436 13 G N -1.052 107.474 108.800 -0.456 0.000 2.679 13 G HA2 -0.145 3.816 3.960 0.001 0.000 0.212 13 G HA3 -0.145 3.816 3.960 0.001 0.000 0.212 13 G C 0.762 175.572 174.900 -0.150 0.000 1.137 13 G CA 0.474 45.378 45.100 -0.327 0.000 0.787 13 G HN 0.340 nan 8.290 nan 0.000 0.534 14 S N 0.289 115.910 115.700 -0.131 0.000 2.433 14 S HA 0.518 4.988 4.470 0.001 0.000 0.310 14 S C -1.473 173.112 174.600 -0.024 0.000 1.097 14 S CA -1.449 56.713 58.200 -0.064 0.000 1.103 14 S CB 2.324 65.484 63.200 -0.066 0.000 0.992 14 S HN -0.091 nan 8.310 nan 0.000 0.469 15 P HA -0.071 nan 4.420 nan 0.000 0.219 15 P C 1.544 178.880 177.300 0.060 0.000 1.150 15 P CA 1.008 64.125 63.100 0.027 0.000 0.814 15 P CB -0.032 31.682 31.700 0.023 0.000 0.787 16 S N -1.129 114.603 115.700 0.053 0.000 2.387 16 S HA -0.020 4.451 4.470 0.001 0.000 0.226 16 S C 1.760 176.460 174.600 0.166 0.000 1.026 16 S CA 0.953 59.208 58.200 0.091 0.000 0.972 16 S CB -0.575 62.657 63.200 0.053 0.000 0.814 16 S HN -0.014 nan 8.310 nan 0.000 0.477 17 K N 0.395 120.828 120.400 0.054 0.000 2.402 17 K HA 0.487 4.807 4.320 0.001 0.000 0.204 17 K C 1.847 178.330 176.600 -0.194 0.000 1.056 17 K CA 0.603 56.835 56.287 -0.092 0.000 1.069 17 K CB 0.315 32.747 32.500 -0.113 0.000 0.888 17 K HN 0.361 nan 8.250 nan 0.000 0.546 18 A N 0.975 123.763 122.820 -0.053 0.000 1.986 18 A HA -0.225 4.095 4.320 0.001 0.000 0.220 18 A C 1.990 179.528 177.584 -0.076 0.000 1.171 18 A CA 1.613 53.609 52.037 -0.069 0.000 0.640 18 A CB -0.737 18.254 19.000 -0.015 0.000 0.811 18 A HN 0.461 nan 8.150 nan 0.000 0.451 19 Y N 0.122 120.380 120.300 -0.070 0.000 2.314 19 Y HA 0.032 4.582 4.550 -0.000 0.000 0.293 19 Y C 1.853 177.705 175.900 -0.080 0.000 1.129 19 Y CA 1.243 59.295 58.100 -0.080 0.000 1.201 19 Y CB -0.724 37.678 38.460 -0.098 0.000 0.999 19 Y HN 0.402 nan 8.280 nan 0.000 0.541 20 E N 1.802 121.413 120.200 -0.980 0.000 2.150 20 E HA -0.079 4.271 4.350 0.001 0.000 0.193 20 E C 1.098 177.525 176.600 -0.288 0.000 0.985 20 E CA 0.842 56.843 56.400 -0.665 0.000 0.814 20 E CB -0.407 28.860 29.700 -0.721 0.000 0.752 20 E HN 0.316 nan 8.360 nan 0.000 0.466 21 S N -0.452 115.105 115.700 -0.239 0.000 2.549 21 S HA 0.039 4.509 4.470 0.001 0.000 0.286 21 S C 0.849 175.401 174.600 -0.079 0.000 1.314 21 S CA 0.223 58.342 58.200 -0.135 0.000 1.062 21 S CB 0.847 63.962 63.200 -0.142 0.000 0.865 21 S HN 0.302 nan 8.310 nan 0.000 0.498 22 S N 3.851 119.546 115.700 -0.007 0.000 2.515 22 S HA 0.106 4.576 4.470 0.001 0.000 0.231 22 S C 1.264 175.834 174.600 -0.050 0.000 0.987 22 S CA 0.370 58.608 58.200 0.064 0.000 0.936 22 S CB -0.275 63.084 63.200 0.266 0.000 0.766 22 S HN 0.722 nan 8.310 nan 0.000 0.528 23 L N 1.329 122.437 121.223 -0.193 0.000 2.629 23 L HA 0.286 4.627 4.340 0.001 0.000 0.230 23 L C 0.949 177.720 176.870 -0.165 0.000 1.151 23 L CA -0.527 54.118 54.840 -0.324 0.000 0.924 23 L CB -0.404 41.414 42.059 -0.402 0.000 1.137 23 L HN 0.170 nan 8.230 nan 0.000 0.457 24 A N -0.382 122.379 122.820 -0.099 0.000 2.520 24 A HA 0.067 4.387 4.320 0.001 0.000 0.235 24 A C -0.178 177.387 177.584 -0.031 0.000 1.065 24 A CA 0.022 52.027 52.037 -0.053 0.000 0.764 24 A CB 0.169 19.155 19.000 -0.023 0.000 1.002 24 A HN 0.357 nan 8.150 nan 0.000 0.502 25 C N 4.980 124.273 119.300 -0.012 0.000 2.316 25 C HA 0.678 5.139 4.460 0.001 0.000 0.324 25 C C -0.744 174.262 174.990 0.028 0.000 1.226 25 C CA -0.688 58.334 59.018 0.007 0.000 1.450 25 C CB -1.099 26.642 27.740 0.002 0.000 2.123 25 C HN 0.638 nan 8.230 nan 0.000 0.454 26 I N 4.681 125.277 120.570 0.042 0.000 2.689 26 I HA 0.718 4.889 4.170 0.001 0.000 0.299 26 I C 0.247 176.417 176.117 0.090 0.000 1.059 26 I CA -0.410 60.934 61.300 0.073 0.000 1.055 26 I CB 1.549 39.596 38.000 0.079 0.000 1.243 26 I HN 0.749 nan 8.210 nan 0.000 0.425 27 A N 4.443 127.330 122.820 0.112 0.000 2.386 27 A HA 0.598 4.919 4.320 0.001 0.000 0.311 27 A C -1.202 176.449 177.584 0.112 0.000 1.068 27 A CA -0.514 51.571 52.037 0.079 0.000 0.743 27 A CB 1.517 20.528 19.000 0.019 0.000 1.258 27 A HN 0.847 nan 8.150 nan 0.000 0.429 28 H N 2.538 121.568 119.070 -0.066 0.000 2.489 28 H HA 0.681 5.237 4.556 0.000 0.000 0.343 28 H C -1.648 173.510 175.328 -0.283 0.000 1.086 28 H CA -0.408 55.456 56.048 -0.306 0.000 1.198 28 H CB 0.983 30.531 29.762 -0.357 0.000 1.490 28 H HN 0.559 nan 8.280 nan 0.000 0.504 29 I N 4.815 124.825 120.570 -0.934 0.000 2.498 29 I HA 0.164 4.335 4.170 0.001 0.000 0.290 29 I C -0.521 175.159 176.117 -0.728 0.000 1.032 29 I CA -0.552 60.382 61.300 -0.610 0.000 1.073 29 I CB 2.123 39.862 38.000 -0.434 0.000 1.251 29 I HN 0.531 nan 8.210 nan 0.000 0.426 30 D N 6.532 126.693 120.400 -0.399 0.000 2.780 30 D HA 0.361 5.001 4.640 0.001 0.000 0.242 30 D C -1.257 174.961 176.300 -0.136 0.000 1.135 30 D CA -0.677 53.150 54.000 -0.288 0.000 0.859 30 D CB 2.337 43.055 40.800 -0.136 0.000 1.530 30 D HN 0.309 nan 8.370 nan 0.000 0.493 31 M N 2.947 122.454 119.600 -0.155 0.000 2.162 31 M HA 0.195 4.675 4.480 0.001 0.000 0.356 31 M C -0.221 176.105 176.300 0.043 0.000 1.303 31 M CA -0.354 54.903 55.300 -0.072 0.000 1.116 31 M CB 0.565 33.002 32.600 -0.271 0.000 1.632 31 M HN 0.174 nan 8.290 nan 0.000 0.469 32 N N 3.827 122.588 118.700 0.101 0.000 2.468 32 N HA 0.235 4.975 4.740 0.001 0.000 0.265 32 N C 0.130 175.797 175.510 0.262 0.000 1.199 32 N CA 0.641 53.802 53.050 0.186 0.000 0.928 32 N CB 0.557 39.100 38.487 0.094 0.000 1.059 32 N HN 0.892 nan 8.380 nan 0.000 0.467 33 A N 1.948 124.926 122.820 0.263 0.000 2.596 33 A HA -0.265 4.055 4.320 0.001 0.000 0.300 33 A C 1.172 178.830 177.584 0.123 0.000 1.495 33 A CA 0.477 52.595 52.037 0.136 0.000 0.769 33 A CB -2.196 16.894 19.000 0.149 0.000 1.047 33 A HN 0.659 nan 8.150 nan 0.000 0.436 34 F N 0.286 120.207 119.950 -0.049 0.000 2.043 34 F HA -0.155 4.373 4.527 0.001 0.000 0.297 34 F C 1.677 177.508 175.800 0.050 0.000 1.121 34 F CA 2.728 60.703 58.000 -0.042 0.000 1.199 34 F CB -0.501 38.488 39.000 -0.019 0.000 0.968 34 F HN 0.439 nan 8.300 nan 0.000 0.478 35 F N 0.594 120.235 119.950 -0.516 0.000 2.216 35 F HA -0.024 4.504 4.527 0.000 0.000 0.300 35 F C 2.617 178.178 175.800 -0.399 0.000 1.085 35 F CA 0.681 58.217 58.000 -0.774 0.000 1.326 35 F CB -1.913 36.515 39.000 -0.953 0.000 1.027 35 F HN 0.113 nan 8.300 nan 0.000 0.497 36 A N -0.226 122.564 122.820 -0.050 0.000 1.877 36 A HA -0.206 4.114 4.320 0.001 0.000 0.216 36 A C 2.220 179.808 177.584 0.007 0.000 1.186 36 A CA 1.459 53.481 52.037 -0.025 0.000 0.620 36 A CB -0.764 18.223 19.000 -0.021 0.000 0.822 36 A HN 0.394 nan 8.150 nan 0.000 0.443 37 Q N -0.477 119.339 119.800 0.025 0.000 2.124 37 Q HA -0.127 4.213 4.340 0.001 0.000 0.202 37 Q C 2.286 178.371 176.000 0.142 0.000 0.977 37 Q CA 1.788 57.658 55.803 0.111 0.000 0.850 37 Q CB -0.519 28.321 28.738 0.170 0.000 0.901 37 Q HN 0.724 nan 8.270 nan 0.000 0.429 38 V N 0.073 119.954 119.914 -0.056 0.000 2.407 38 V HA -0.207 3.913 4.120 0.001 0.000 0.248 38 V C 1.827 177.967 176.094 0.077 0.000 1.055 38 V CA 1.697 64.024 62.300 0.045 0.000 1.049 38 V CB -0.300 31.435 31.823 -0.148 0.000 0.662 38 V HN 0.180 nan 8.190 nan 0.000 0.455 39 E N 0.426 120.649 120.200 0.038 0.000 2.110 39 E HA -0.240 4.111 4.350 0.001 0.000 0.193 39 E C 2.224 178.820 176.600 -0.006 0.000 0.988 39 E CA 1.861 58.259 56.400 -0.002 0.000 0.804 39 E CB -0.494 29.212 29.700 0.008 0.000 0.745 39 E HN 0.876 nan 8.360 nan 0.000 0.458 40 Q N -0.047 119.774 119.800 0.034 0.000 2.046 40 Q HA -0.134 4.207 4.340 0.001 0.000 0.200 40 Q C 1.990 178.014 176.000 0.040 0.000 0.975 40 Q CA 1.072 56.897 55.803 0.036 0.000 0.836 40 Q CB 0.024 28.800 28.738 0.063 0.000 0.896 40 Q HN 0.135 nan 8.270 nan 0.000 0.428 41 M N 0.582 120.234 119.600 0.087 0.000 2.086 41 M HA -0.150 4.331 4.480 0.001 0.000 0.261 41 M C 2.292 178.602 176.300 0.016 0.000 1.067 41 M CA 1.655 56.991 55.300 0.061 0.000 1.116 41 M CB -1.186 31.473 32.600 0.099 0.000 1.348 41 M HN 0.273 nan 8.290 nan 0.000 0.407 42 R N -0.519 119.986 120.500 0.009 0.000 2.096 42 R HA -0.135 4.205 4.340 0.001 0.000 0.235 42 R C 1.676 177.935 176.300 -0.068 0.000 1.127 42 R CA 1.649 57.724 56.100 -0.042 0.000 0.968 42 R CB -0.176 30.060 30.300 -0.106 0.000 0.861 42 R HN 0.386 nan 8.270 nan 0.000 0.440 43 C N 0.389 119.650 119.300 -0.066 0.000 2.626 43 C HA 0.320 4.781 4.460 0.001 0.000 0.266 43 C C 1.327 176.300 174.990 -0.028 0.000 1.317 43 C CA 0.293 59.277 59.018 -0.058 0.000 1.716 43 C CB -0.607 27.098 27.740 -0.059 0.000 1.819 43 C HN 0.827 nan 8.230 nan 0.000 0.578 44 G N 1.011 109.800 108.800 -0.019 0.000 2.155 44 G HA2 -0.253 3.707 3.960 0.001 0.000 0.257 44 G HA3 -0.253 3.707 3.960 0.001 0.000 0.257 44 G C 0.104 175.002 174.900 -0.003 0.000 0.983 44 G CA 0.160 45.253 45.100 -0.011 0.000 0.676 44 G HN 0.544 nan 8.290 nan 0.000 0.528 45 L N 0.345 121.568 121.223 0.001 0.000 2.475 45 L HA 0.598 4.939 4.340 0.001 0.000 0.253 45 L C 1.301 178.181 176.870 0.017 0.000 1.198 45 L CA 0.155 54.999 54.840 0.007 0.000 0.814 45 L CB 1.064 43.127 42.059 0.006 0.000 1.134 45 L HN 0.324 nan 8.230 nan 0.000 0.478 46 S N -0.499 115.213 115.700 0.021 0.000 2.651 46 S HA 0.239 4.709 4.470 0.001 0.000 0.291 46 S C 0.661 175.285 174.600 0.041 0.000 1.141 46 S CA -0.632 57.584 58.200 0.027 0.000 1.027 46 S CB 1.694 64.909 63.200 0.024 0.000 1.043 46 S HN 0.531 nan 8.310 nan 0.000 0.530 47 K N 1.215 121.643 120.400 0.048 0.000 2.211 47 K HA -0.018 4.303 4.320 0.001 0.000 0.204 47 K C 1.708 178.349 176.600 0.070 0.000 1.047 47 K CA 1.693 58.019 56.287 0.066 0.000 0.935 47 K CB -0.140 32.395 32.500 0.060 0.000 0.728 47 K HN 0.721 nan 8.250 nan 0.000 0.452 48 E N 0.594 120.827 120.200 0.056 0.000 2.427 48 E HA -0.069 4.282 4.350 0.001 0.000 0.196 48 E C -0.376 176.261 176.600 0.062 0.000 1.028 48 E CA 0.357 56.794 56.400 0.062 0.000 0.864 48 E CB 0.007 29.737 29.700 0.050 0.000 0.813 48 E HN 0.297 nan 8.360 nan 0.000 0.514 49 D N 2.890 123.317 120.400 0.044 0.000 2.312 49 D HA 0.092 4.733 4.640 0.001 0.000 0.252 49 D C -2.294 174.016 176.300 0.016 0.000 1.150 49 D CA -1.842 52.172 54.000 0.024 0.000 0.870 49 D CB 1.094 41.900 40.800 0.011 0.000 1.153 49 D HN -0.056 nan 8.370 nan 0.000 0.457 50 P HA -0.000 nan 4.420 nan 0.000 0.268 50 P C -0.164 177.087 177.300 -0.082 0.000 1.485 50 P CA -0.248 62.822 63.100 -0.051 0.000 1.102 50 P CB 0.311 31.915 31.700 -0.161 0.000 1.501 51 V N 4.170 124.051 119.914 -0.055 0.000 2.630 51 V HA 0.694 4.815 4.120 0.001 0.000 0.305 51 V C -0.844 175.191 176.094 -0.097 0.000 1.046 51 V CA -0.967 61.287 62.300 -0.078 0.000 0.934 51 V CB 2.347 34.143 31.823 -0.046 0.000 1.003 51 V HN 0.211 nan 8.190 nan 0.000 0.451 52 V N 6.062 125.894 119.914 -0.137 0.000 2.789 52 V HA 0.591 4.711 4.120 0.001 0.000 0.311 52 V C -0.394 175.614 176.094 -0.143 0.000 1.073 52 V CA -0.397 61.814 62.300 -0.147 0.000 0.921 52 V CB 1.634 33.349 31.823 -0.180 0.000 1.009 52 V HN 1.383 nan 8.190 nan 0.000 0.426 53 C N 7.641 126.873 119.300 -0.114 0.000 2.307 53 C HA 0.854 5.315 4.460 0.001 0.000 0.340 53 C C -0.133 174.785 174.990 -0.119 0.000 1.275 53 C CA 0.187 59.153 59.018 -0.087 0.000 1.811 53 C CB -0.145 27.564 27.740 -0.051 0.000 2.372 53 C HN 1.212 nan 8.230 nan 0.000 0.531 54 V N 4.848 124.678 119.914 -0.141 0.000 2.962 54 V HA 0.672 4.793 4.120 0.001 0.000 0.313 54 V C -1.071 174.792 176.094 -0.385 0.000 1.099 54 V CA -0.490 61.713 62.300 -0.161 0.000 0.971 54 V CB 1.707 33.481 31.823 -0.082 0.000 1.028 54 V HN 0.971 nan 8.190 nan 0.000 0.430 55 Q N 2.800 122.408 119.800 -0.320 0.000 2.290 55 Q HA 0.464 4.805 4.340 0.001 0.000 0.269 55 Q C -0.576 175.344 176.000 -0.132 0.000 1.016 55 Q CA -0.321 55.127 55.803 -0.590 0.000 0.754 55 Q CB 1.384 29.877 28.738 -0.408 0.000 1.247 55 Q HN 1.007 nan 8.270 nan 0.000 0.451 56 W N 2.192 123.755 121.300 0.437 0.000 2.396 56 W HA -0.459 4.201 4.660 0.000 0.000 0.293 56 W C 0.737 177.431 176.519 0.291 0.000 1.500 56 W CA 1.102 58.659 57.345 0.354 0.000 1.481 56 W CB -1.277 28.314 29.460 0.219 0.000 0.903 56 W HN 0.722 nan 8.180 nan 0.000 0.498 57 N N 0.506 119.495 118.700 0.481 0.000 2.299 57 N HA 0.124 4.864 4.740 0.001 0.000 0.187 57 N C -0.156 175.481 175.510 0.211 0.000 1.099 57 N CA 0.608 53.843 53.050 0.308 0.000 0.867 57 N CB 0.213 38.838 38.487 0.231 0.000 0.974 57 N HN 0.284 nan 8.380 nan 0.000 0.477 58 S N 0.116 115.935 115.700 0.198 0.000 2.585 58 S HA 0.459 4.929 4.470 0.001 0.000 0.277 58 S C -0.083 174.537 174.600 0.033 0.000 1.241 58 S CA -0.834 57.428 58.200 0.103 0.000 1.041 58 S CB 1.401 64.664 63.200 0.105 0.000 0.987 58 S HN 0.029 nan 8.310 nan 0.000 0.512 59 I N 2.550 123.113 120.570 -0.012 0.000 2.312 59 I HA 0.220 4.390 4.170 0.001 0.000 0.291 59 I C 1.078 177.148 176.117 -0.079 0.000 1.031 59 I CA -0.521 60.740 61.300 -0.065 0.000 1.293 59 I CB 0.902 38.854 38.000 -0.080 0.000 1.403 59 I HN 0.793 nan 8.210 nan 0.000 0.484 60 I N 3.260 123.767 120.570 -0.105 0.000 3.854 60 I HA 0.553 4.723 4.170 0.001 0.000 0.312 60 I C 0.699 176.689 176.117 -0.212 0.000 1.273 60 I CA 0.065 61.281 61.300 -0.141 0.000 1.298 60 I CB 0.342 38.268 38.000 -0.125 0.000 1.071 60 I HN 0.486 nan 8.210 nan 0.000 0.428 61 A N 0.852 123.563 122.820 -0.181 0.000 2.574 61 A HA 0.743 5.063 4.320 0.001 0.000 0.297 61 A C -1.167 176.328 177.584 -0.149 0.000 1.062 61 A CA -0.449 51.473 52.037 -0.192 0.000 0.686 61 A CB 1.832 20.701 19.000 -0.219 0.000 1.285 61 A HN -0.011 nan 8.150 nan 0.000 0.403 62 V N 2.061 121.880 119.914 -0.158 0.000 2.443 62 V HA 0.555 4.675 4.120 0.001 0.000 0.293 62 V C 0.663 176.654 176.094 -0.171 0.000 1.021 62 V CA -0.309 61.897 62.300 -0.157 0.000 0.848 62 V CB 1.144 32.862 31.823 -0.174 0.000 0.998 62 V HN 1.210 nan 8.190 nan 0.000 0.424 63 S N 3.285 118.928 115.700 -0.094 0.000 2.580 63 S HA 0.215 4.685 4.470 0.001 0.000 0.266 63 S C 0.750 175.306 174.600 -0.073 0.000 1.354 63 S CA 0.030 58.219 58.200 -0.018 0.000 1.008 63 S CB 0.354 63.578 63.200 0.041 0.000 0.898 63 S HN 0.531 nan 8.310 nan 0.000 0.555 64 Y N 1.019 121.333 120.300 0.023 0.000 2.242 64 Y HA 0.008 4.558 4.550 0.000 0.000 0.291 64 Y C 2.799 178.727 175.900 0.047 0.000 1.137 64 Y CA 1.337 59.453 58.100 0.027 0.000 1.181 64 Y CB -1.107 37.367 38.460 0.024 0.000 0.989 64 Y HN 0.858 nan 8.280 nan 0.000 0.527 65 A N 0.196 123.123 122.820 0.177 0.000 1.917 65 A HA -0.241 4.079 4.320 0.001 0.000 0.219 65 A C 2.439 180.145 177.584 0.203 0.000 1.182 65 A CA 2.165 54.300 52.037 0.164 0.000 0.633 65 A CB -1.231 17.848 19.000 0.132 0.000 0.819 65 A HN 0.415 nan 8.150 nan 0.000 0.448 66 A N -0.663 122.220 122.820 0.106 0.000 1.968 66 A HA -0.079 4.241 4.320 0.001 0.000 0.217 66 A C 2.194 179.847 177.584 0.115 0.000 1.169 66 A CA 1.192 53.282 52.037 0.089 0.000 0.638 66 A CB -0.408 18.569 19.000 -0.038 0.000 0.812 66 A HN 0.545 nan 8.150 nan 0.000 0.446 67 R N -0.149 120.356 120.500 0.009 0.000 2.120 67 R HA -0.112 4.228 4.340 0.001 0.000 0.234 67 R C 1.955 178.264 176.300 0.015 0.000 1.123 67 R CA 1.498 57.573 56.100 -0.041 0.000 0.975 67 R CB -0.274 29.920 30.300 -0.177 0.000 0.866 67 R HN 0.472 nan 8.270 nan 0.000 0.446 68 K N -0.234 120.192 120.400 0.042 0.000 2.218 68 K HA -0.168 4.152 4.320 0.001 0.000 0.205 68 K C 0.928 177.426 176.600 -0.171 0.000 1.046 68 K CA 1.319 57.566 56.287 -0.066 0.000 0.933 68 K CB -0.030 32.402 32.500 -0.112 0.000 0.728 68 K HN 0.239 nan 8.250 nan 0.000 0.454 69 Y N -0.271 120.013 120.300 -0.028 0.000 2.470 69 Y HA 0.152 4.702 4.550 0.000 0.000 0.284 69 Y C 1.343 177.222 175.900 -0.034 0.000 1.188 69 Y CA 0.262 58.346 58.100 -0.028 0.000 1.269 69 Y CB 0.399 38.841 38.460 -0.030 0.000 1.094 69 Y HN 0.180 nan 8.280 nan 0.000 0.518 70 G N 0.658 109.493 108.800 0.058 0.000 2.155 70 G HA2 -0.316 3.645 3.960 0.001 0.000 0.257 70 G HA3 -0.316 3.645 3.960 0.001 0.000 0.257 70 G C 0.235 175.143 174.900 0.014 0.000 0.983 70 G CA 0.104 45.215 45.100 0.018 0.000 0.676 70 G HN 0.362 nan 8.290 nan 0.000 0.528 71 I N 1.305 121.890 120.570 0.026 0.000 2.634 71 I HA 0.468 4.638 4.170 0.001 0.000 0.284 71 I C 0.999 177.085 176.117 -0.051 0.000 1.124 71 I CA 0.721 62.011 61.300 -0.015 0.000 1.417 71 I CB 1.319 39.301 38.000 -0.030 0.000 1.396 71 I HN 0.435 nan 8.210 nan 0.000 0.571 72 S N 4.952 120.617 115.700 -0.058 0.000 2.705 72 S HA 0.413 4.884 4.470 0.001 0.000 0.280 72 S C 0.414 174.971 174.600 -0.072 0.000 1.174 72 S CA -0.935 57.219 58.200 -0.076 0.000 0.823 72 S CB 1.626 64.788 63.200 -0.063 0.000 1.162 72 S HN 0.637 nan 8.310 nan 0.000 0.487 73 R N -0.442 120.010 120.500 -0.079 0.000 2.293 73 R HA 0.098 4.438 4.340 0.001 0.000 0.219 73 R C 1.533 177.807 176.300 -0.042 0.000 1.091 73 R CA 1.244 57.302 56.100 -0.070 0.000 1.004 73 R CB -0.342 29.909 30.300 -0.082 0.000 0.865 73 R HN 0.607 nan 8.270 nan 0.000 0.469 74 M N 0.407 119.986 119.600 -0.035 0.000 2.349 74 M HA -0.000 4.480 4.480 0.001 0.000 0.266 74 M C 0.014 176.307 176.300 -0.011 0.000 1.076 74 M CA 0.800 56.089 55.300 -0.018 0.000 1.126 74 M CB -0.380 32.210 32.600 -0.017 0.000 1.392 74 M HN -0.019 nan 8.290 nan 0.000 0.440 75 D N 0.888 121.276 120.400 -0.019 0.000 2.368 75 D HA 0.045 4.685 4.640 0.001 0.000 0.240 75 D C 0.201 176.498 176.300 -0.006 0.000 1.169 75 D CA 0.471 54.462 54.000 -0.014 0.000 0.906 75 D CB 1.202 41.987 40.800 -0.025 0.000 1.187 75 D HN 0.003 nan 8.370 nan 0.000 0.435 76 T N 0.582 115.140 114.554 0.007 0.000 2.902 76 T HA 0.251 4.601 4.350 0.001 0.000 0.280 76 T C 2.004 176.711 174.700 0.012 0.000 0.992 76 T CA -0.725 61.391 62.100 0.026 0.000 1.015 76 T CB 0.591 69.484 68.868 0.041 0.000 1.044 76 T HN 0.205 nan 8.240 nan 0.000 0.520 77 I N 1.389 121.979 120.570 0.033 0.000 2.179 77 I HA -0.196 3.974 4.170 0.001 0.000 0.242 77 I C 2.675 178.795 176.117 0.006 0.000 1.088 77 I CA 1.032 62.328 61.300 -0.006 0.000 1.357 77 I CB -0.481 37.551 38.000 0.052 0.000 1.051 77 I HN 0.610 nan 8.210 nan 0.000 0.409 78 Q N 1.262 121.097 119.800 0.059 0.000 2.061 78 Q HA -0.239 4.102 4.340 0.001 0.000 0.204 78 Q C 2.037 178.051 176.000 0.024 0.000 0.984 78 Q CA 1.779 57.617 55.803 0.057 0.000 0.846 78 Q CB -0.521 28.261 28.738 0.073 0.000 0.902 78 Q HN 0.625 nan 8.270 nan 0.000 0.421 79 E N 0.900 121.111 120.200 0.019 0.000 2.085 79 E HA -0.155 4.195 4.350 0.001 0.000 0.194 79 E C 1.977 178.572 176.600 -0.010 0.000 0.994 79 E CA 1.129 57.534 56.400 0.007 0.000 0.801 79 E CB -0.176 29.529 29.700 0.009 0.000 0.743 79 E HN 0.379 nan 8.360 nan 0.000 0.453 80 A N 1.096 123.898 122.820 -0.029 0.000 1.930 80 A HA -0.135 4.185 4.320 0.001 0.000 0.217 80 A C 2.193 179.731 177.584 -0.076 0.000 1.175 80 A CA 0.905 52.908 52.037 -0.057 0.000 0.627 80 A CB -0.616 18.332 19.000 -0.087 0.000 0.815 80 A HN 0.136 nan 8.150 nan 0.000 0.443 81 L N -0.760 120.419 121.223 -0.072 0.000 2.043 81 L HA -0.257 4.083 4.340 0.001 0.000 0.212 81 L C 2.605 179.451 176.870 -0.040 0.000 1.075 81 L CA 1.907 56.708 54.840 -0.065 0.000 0.752 81 L CB -0.358 41.686 42.059 -0.025 0.000 0.891 81 L HN 0.366 nan 8.230 nan 0.000 0.432 82 K N -0.110 120.281 120.400 -0.015 0.000 2.097 82 K HA -0.171 4.150 4.320 0.001 0.000 0.206 82 K C 2.030 178.633 176.600 0.005 0.000 1.049 82 K CA 1.284 57.571 56.287 0.000 0.000 0.933 82 K CB 0.062 32.569 32.500 0.010 0.000 0.717 82 K HN 0.252 nan 8.250 nan 0.000 0.442 83 K N -0.965 119.436 120.400 0.002 0.000 2.305 83 K HA 0.015 4.335 4.320 0.001 0.000 0.199 83 K C 0.231 176.862 176.600 0.051 0.000 1.047 83 K CA 0.260 56.573 56.287 0.043 0.000 0.976 83 K CB 0.396 32.928 32.500 0.054 0.000 0.765 83 K HN 0.059 nan 8.250 nan 0.000 0.474 84 C N 0.948 120.194 119.300 -0.090 0.000 2.599 84 C HA 0.222 4.682 4.460 0.001 0.000 0.354 84 C C 1.458 176.315 174.990 -0.222 0.000 1.092 84 C CA -0.728 58.101 59.018 -0.315 0.000 1.280 84 C CB 0.774 28.151 27.740 -0.605 0.000 1.829 84 C HN 0.515 nan 8.230 nan 0.000 0.454 85 S N 3.199 118.802 115.700 -0.162 0.000 2.425 85 S HA -0.104 4.367 4.470 0.001 0.000 0.225 85 S C 1.179 175.715 174.600 -0.107 0.000 1.024 85 S CA 1.230 59.375 58.200 -0.091 0.000 0.951 85 S CB -0.277 62.902 63.200 -0.034 0.000 0.796 85 S HN 0.925 nan 8.310 nan 0.000 0.498 86 N N 1.540 120.148 118.700 -0.155 0.000 2.362 86 N HA 0.122 4.862 4.740 0.001 0.000 0.204 86 N C 0.082 175.497 175.510 -0.157 0.000 1.166 86 N CA -0.326 52.651 53.050 -0.122 0.000 0.831 86 N CB -0.698 37.739 38.487 -0.085 0.000 1.008 86 N HN 0.392 nan 8.380 nan 0.000 0.472 87 L N 1.149 122.247 121.223 -0.208 0.000 2.525 87 L HA 0.118 4.458 4.340 0.001 0.000 0.278 87 L C -0.199 176.567 176.870 -0.172 0.000 1.218 87 L CA 0.446 55.156 54.840 -0.216 0.000 0.878 87 L CB 0.193 42.111 42.059 -0.236 0.000 1.127 87 L HN 0.123 nan 8.230 nan 0.000 0.492 88 I N 7.488 127.960 120.570 -0.162 0.000 2.388 88 I HA 0.316 4.486 4.170 0.001 0.000 0.281 88 I C -2.163 173.823 176.117 -0.218 0.000 1.046 88 I CA -1.712 59.505 61.300 -0.139 0.000 1.187 88 I CB 0.913 38.871 38.000 -0.071 0.000 1.351 88 I HN 0.532 nan 8.210 nan 0.000 0.472 89 P HA 0.373 nan 4.420 nan 0.000 0.286 89 P C -0.607 176.502 177.300 -0.318 0.000 1.269 89 P CA -0.121 62.615 63.100 -0.607 0.000 0.787 89 P CB 0.915 31.727 31.700 -1.480 0.000 0.920 90 I N 2.591 123.080 120.570 -0.136 0.000 2.447 90 I HA 0.272 4.443 4.170 0.001 0.000 0.287 90 I C 0.504 176.731 176.117 0.184 0.000 1.023 90 I CA -0.835 60.523 61.300 0.097 0.000 1.083 90 I CB 1.410 39.435 38.000 0.042 0.000 1.245 90 I HN 0.407 nan 8.210 nan 0.000 0.434 91 H N 4.921 124.168 119.070 0.296 0.000 2.562 91 H HA 0.177 4.734 4.556 0.001 0.000 0.352 91 H C -0.026 175.437 175.328 0.224 0.000 1.125 91 H CA -0.026 56.173 56.048 0.252 0.000 1.379 91 H CB 1.629 31.558 29.762 0.279 0.000 1.464 91 H HN 0.722 nan 8.280 nan 0.000 0.563 92 T N 1.177 115.675 114.554 -0.094 0.000 2.855 92 T HA 0.276 4.626 4.350 0.001 0.000 0.322 92 T C 0.562 175.244 174.700 -0.029 0.000 1.088 92 T CA -0.408 61.691 62.100 -0.002 0.000 1.104 92 T CB 0.462 69.235 68.868 -0.159 0.000 0.996 92 T HN 0.664 nan 8.240 nan 0.000 0.549 93 A N 1.676 124.168 122.820 -0.547 0.000 2.507 93 A HA 0.539 4.860 4.320 0.001 0.000 0.235 93 A C 0.594 177.980 177.584 -0.331 0.000 1.070 93 A CA -0.200 51.367 52.037 -0.784 0.000 0.768 93 A CB -0.456 17.653 19.000 -1.484 0.000 1.011 93 A HN 1.796 nan 8.150 nan 0.000 0.502 94 V N -1.249 118.588 119.914 -0.128 0.000 3.007 94 V HA 0.771 4.891 4.120 0.001 0.000 0.311 94 V C -0.679 175.486 176.094 0.117 0.000 1.120 94 V CA -1.063 61.284 62.300 0.079 0.000 0.980 94 V CB 1.471 33.414 31.823 0.199 0.000 1.033 94 V HN 0.646 nan 8.190 nan 0.000 0.429 95 F N 1.647 121.770 119.950 0.288 0.000 2.396 95 F HA 0.605 5.132 4.527 0.001 0.000 0.343 95 F C 0.584 176.518 175.800 0.222 0.000 1.104 95 F CA -0.083 58.041 58.000 0.207 0.000 1.161 95 F CB 1.403 40.518 39.000 0.192 0.000 1.146 95 F HN 0.561 nan 8.300 nan 0.000 0.522 96 K N 3.582 124.093 120.400 0.185 0.000 2.185 96 K HA 0.213 4.533 4.320 0.001 0.000 0.269 96 K C -0.253 176.143 176.600 -0.340 0.000 0.987 96 K CA -0.885 55.321 56.287 -0.136 0.000 0.865 96 K CB 0.929 33.358 32.500 -0.118 0.000 1.090 96 K HN 0.564 nan 8.250 nan 0.000 0.450 97 K N 2.557 122.579 120.400 -0.630 0.000 2.513 97 K HA -0.173 4.148 4.320 0.001 0.000 0.275 97 K C 0.415 176.655 176.600 -0.601 0.000 1.025 97 K CA 1.690 57.387 56.287 -0.983 0.000 1.125 97 K CB -0.266 31.518 32.500 -1.193 0.000 0.843 97 K HN 0.891 nan 8.250 nan 0.000 0.486 98 G N 2.920 111.393 108.800 -0.544 0.000 2.160 98 G HA2 -0.268 3.692 3.960 0.001 0.000 0.251 98 G HA3 -0.268 3.692 3.960 0.001 0.000 0.251 98 G C -0.486 174.267 174.900 -0.244 0.000 1.008 98 G CA 0.477 45.377 45.100 -0.334 0.000 0.724 98 G HN 0.674 nan 8.290 nan 0.000 0.514 99 E N -0.172 119.859 120.200 -0.280 0.000 2.292 99 E HA 0.386 4.736 4.350 0.001 0.000 0.272 99 E C -0.617 175.840 176.600 -0.238 0.000 0.881 99 E CA -0.518 55.681 56.400 -0.335 0.000 0.754 99 E CB 1.197 30.488 29.700 -0.681 0.000 1.201 99 E HN 0.197 nan 8.360 nan 0.000 0.425 100 D N 2.306 122.646 120.400 -0.099 0.000 2.525 100 D HA 0.107 4.748 4.640 0.001 0.000 0.229 100 D C -0.378 176.098 176.300 0.293 0.000 1.202 100 D CA -0.268 53.801 54.000 0.116 0.000 0.828 100 D CB -0.548 40.333 40.800 0.135 0.000 1.008 100 D HN 0.228 nan 8.370 nan 0.000 0.493 101 F N -1.410 118.674 119.950 0.224 0.000 2.619 101 F HA 0.605 5.133 4.527 0.000 0.000 0.308 101 F C -0.412 175.328 175.800 -0.100 0.000 1.097 101 F CA -2.036 55.975 58.000 0.019 0.000 0.953 101 F CB 0.681 39.587 39.000 -0.156 0.000 1.287 101 F HN -0.077 nan 8.300 nan 0.000 0.446 102 W N 1.953 123.040 121.300 -0.355 0.000 2.253 102 W HA 0.761 5.421 4.660 0.000 0.000 0.348 102 W C -1.461 174.912 176.519 -0.243 0.000 1.229 102 W CA -0.792 56.118 57.345 -0.724 0.000 1.335 102 W CB 1.000 29.731 29.460 -1.214 0.000 1.165 102 W HN 0.948 nan 8.180 nan 0.000 0.631 103 Q N 0.815 120.703 119.800 0.148 0.000 2.426 103 Q HA 0.284 4.625 4.340 0.001 0.000 0.278 103 Q C -2.231 173.680 176.000 -0.149 0.000 1.007 103 Q CA -0.730 55.090 55.803 0.028 0.000 0.850 103 Q CB 2.666 31.388 28.738 -0.027 0.000 1.427 103 Q HN 0.596 nan 8.270 nan 0.000 0.391 104 Y N 1.242 121.508 120.300 -0.058 0.000 2.313 104 Y HA 0.279 4.830 4.550 0.001 0.000 0.332 104 Y C -0.387 175.337 175.900 -0.294 0.000 1.071 104 Y CA -0.187 57.858 58.100 -0.091 0.000 1.169 104 Y CB 1.151 39.623 38.460 0.021 0.000 1.192 104 Y HN 0.593 nan 8.280 nan 0.000 0.487 105 H N 1.741 120.958 119.070 0.245 0.000 2.439 105 H HA 0.186 4.743 4.556 0.001 0.000 0.239 105 H C -0.999 174.400 175.328 0.117 0.000 1.432 105 H CA -0.885 55.236 56.048 0.123 0.000 1.373 105 H CB 0.099 29.872 29.762 0.018 0.000 1.463 105 H HN 0.570 nan 8.280 nan 0.000 0.530 106 D N 1.175 121.691 120.400 0.195 0.000 2.382 106 D HA 0.202 4.843 4.640 0.001 0.000 0.245 106 D C 1.357 177.736 176.300 0.131 0.000 1.120 106 D CA 1.018 55.111 54.000 0.155 0.000 0.890 106 D CB 1.166 42.014 40.800 0.079 0.000 1.201 106 D HN 0.854 nan 8.370 nan 0.000 0.433 107 G N 1.049 109.940 108.800 0.152 0.000 2.182 107 G HA2 -0.222 3.739 3.960 0.001 0.000 0.248 107 G HA3 -0.222 3.739 3.960 0.001 0.000 0.248 107 G C 0.008 174.890 174.900 -0.030 0.000 1.042 107 G CA 0.123 45.280 45.100 0.094 0.000 0.775 107 G HN 0.588 nan 8.290 nan 0.000 0.501 108 C N -1.162 118.089 119.300 -0.082 0.000 2.898 108 C HA 1.063 5.523 4.460 0.001 0.000 0.304 108 C C 0.736 175.373 174.990 -0.587 0.000 1.237 108 C CA 0.240 59.085 59.018 -0.288 0.000 1.529 108 C CB 1.492 29.126 27.740 -0.177 0.000 2.021 108 C HN 2.029 nan 8.230 nan 0.000 0.474 109 G N 0.824 109.137 108.800 -0.811 0.000 2.369 109 G HA2 0.329 4.290 3.960 0.001 0.000 0.293 109 G HA3 0.329 4.290 3.960 0.001 0.000 0.293 109 G C 0.357 174.809 174.900 -0.747 0.000 1.301 109 G CA 0.291 44.815 45.100 -0.960 0.000 0.913 109 G HN 1.144 nan 8.290 nan 0.000 0.540 110 S N -1.368 114.187 115.700 -0.242 0.000 2.428 110 S HA -0.063 4.407 4.470 0.001 0.000 0.230 110 S C 1.921 176.539 174.600 0.031 0.000 1.014 110 S CA 1.845 60.038 58.200 -0.012 0.000 0.957 110 S CB -0.580 62.730 63.200 0.182 0.000 0.784 110 S HN 1.432 nan 8.310 nan 0.000 0.499 111 W N 2.195 123.533 121.300 0.062 0.000 2.721 111 W HA 0.430 5.090 4.660 0.000 0.000 0.245 111 W C -0.319 176.220 176.519 0.033 0.000 1.276 111 W CA -0.407 56.965 57.345 0.044 0.000 1.342 111 W CB -0.624 28.861 29.460 0.041 0.000 1.135 111 W HN -0.064 nan 8.180 nan 0.000 0.654 112 V N 3.320 122.924 119.914 -0.517 0.000 2.465 112 V HA 0.049 4.170 4.120 0.001 0.000 0.279 112 V C 1.177 177.170 176.094 -0.168 0.000 1.045 112 V CA -0.616 61.460 62.300 -0.374 0.000 0.938 112 V CB 1.620 33.132 31.823 -0.519 0.000 0.986 112 V HN 0.055 nan 8.190 nan 0.000 0.467 113 Q N 1.264 121.018 119.800 -0.077 0.000 2.083 113 Q HA -0.038 4.302 4.340 0.001 0.000 0.198 113 Q C 0.952 176.923 176.000 -0.048 0.000 0.969 113 Q CA 0.640 56.420 55.803 -0.038 0.000 0.838 113 Q CB -0.304 28.430 28.738 -0.006 0.000 0.900 113 Q HN 0.875 nan 8.270 nan 0.000 0.436 114 D N 2.325 122.692 120.400 -0.056 0.000 2.520 114 D HA -0.065 4.575 4.640 0.001 0.000 0.243 114 D C -1.490 174.773 176.300 -0.063 0.000 1.160 114 D CA -1.101 52.869 54.000 -0.051 0.000 0.877 114 D CB 1.101 41.872 40.800 -0.048 0.000 1.150 114 D HN -0.016 nan 8.370 nan 0.000 0.494 115 P HA -0.147 nan 4.420 nan 0.000 0.218 115 P C 1.019 178.290 177.300 -0.048 0.000 1.149 115 P CA 1.122 64.197 63.100 -0.042 0.000 0.817 115 P CB 0.096 31.781 31.700 -0.025 0.000 0.785 116 A N 1.060 123.852 122.820 -0.046 0.000 1.902 116 A HA -0.152 4.168 4.320 0.001 0.000 0.217 116 A C 1.719 179.260 177.584 -0.072 0.000 1.181 116 A CA 1.360 53.370 52.037 -0.046 0.000 0.623 116 A CB -0.962 18.018 19.000 -0.034 0.000 0.818 116 A HN 0.215 nan 8.150 nan 0.000 0.443 117 K N 0.917 121.261 120.400 -0.094 0.000 3.165 117 K HA 0.169 4.489 4.320 0.001 0.000 0.259 117 K C -0.560 175.921 176.600 -0.198 0.000 1.282 117 K CA -0.068 56.138 56.287 -0.135 0.000 1.259 117 K CB 0.169 32.590 32.500 -0.132 0.000 1.546 117 K HN 0.454 nan 8.250 nan 0.000 0.384 118 Q N 0.658 120.357 119.800 -0.169 0.000 2.297 118 Q HA 0.438 4.779 4.340 0.001 0.000 0.268 118 Q C -0.036 175.848 176.000 -0.193 0.000 1.045 118 Q CA -0.622 55.074 55.803 -0.177 0.000 0.861 118 Q CB 2.238 30.918 28.738 -0.095 0.000 1.344 118 Q HN 0.282 nan 8.270 nan 0.000 0.452 119 I N 1.827 122.279 120.570 -0.197 0.000 2.503 119 I HA 0.100 4.271 4.170 0.001 0.000 0.277 119 I C 0.119 176.295 176.117 0.098 0.000 1.078 119 I CA -0.552 60.600 61.300 -0.248 0.000 1.184 119 I CB 1.013 38.709 38.000 -0.507 0.000 1.353 119 I HN 0.468 nan 8.210 nan 0.000 0.490 120 S N 3.418 119.255 115.700 0.227 0.000 2.525 120 S HA 0.026 4.496 4.470 0.001 0.000 0.285 120 S C 1.083 175.872 174.600 0.316 0.000 1.283 120 S CA -0.562 57.788 58.200 0.250 0.000 1.072 120 S CB 1.878 65.197 63.200 0.197 0.000 0.867 120 S HN 0.472 nan 8.310 nan 0.000 0.492 121 V N 2.955 122.872 119.914 0.006 0.000 2.515 121 V HA -0.083 4.038 4.120 0.001 0.000 0.250 121 V C 2.799 178.814 176.094 -0.131 0.000 1.058 121 V CA 2.742 64.761 62.300 -0.469 0.000 1.064 121 V CB -1.437 29.864 31.823 -0.870 0.000 0.675 121 V HN 1.070 nan 8.190 nan 0.000 0.461 122 E N -0.650 119.549 120.200 -0.001 0.000 2.085 122 E HA -0.291 4.060 4.350 0.001 0.000 0.194 122 E C 1.700 178.452 176.600 0.253 0.000 0.994 122 E CA 1.798 58.245 56.400 0.078 0.000 0.801 122 E CB -0.521 29.217 29.700 0.063 0.000 0.743 122 E HN 0.788 nan 8.360 nan 0.000 0.453 123 D N -1.085 119.443 120.400 0.213 0.000 2.402 123 D HA 0.151 4.792 4.640 0.001 0.000 0.216 123 D C -0.296 175.933 176.300 -0.119 0.000 1.128 123 D CA -0.121 53.925 54.000 0.077 0.000 0.833 123 D CB 0.140 40.850 40.800 -0.150 0.000 0.971 123 D HN 0.527 nan 8.370 nan 0.000 0.503 124 H N 0.141 119.488 119.070 0.460 0.000 2.865 124 H HA 0.514 5.071 4.556 0.000 0.000 0.372 124 H C -0.556 175.222 175.328 0.751 0.000 1.173 124 H CA -0.571 55.807 56.048 0.550 0.000 1.147 124 H CB 2.750 32.852 29.762 0.567 0.000 1.805 124 H HN -0.200 nan 8.280 nan 0.000 0.553 125 K N 1.128 122.049 120.400 0.868 0.000 2.501 125 K HA 0.350 4.670 4.320 0.001 0.000 0.252 125 K C -1.235 175.759 176.600 0.656 0.000 0.934 125 K CA -0.592 56.163 56.287 0.780 0.000 0.797 125 K CB 2.463 35.379 32.500 0.693 0.000 1.270 125 K HN 0.249 nan 8.250 nan 0.000 0.431 126 V N 2.301 122.521 119.914 0.510 0.000 2.715 126 V HA 0.162 4.282 4.120 0.001 0.000 0.299 126 V C -0.041 176.202 176.094 0.249 0.000 1.054 126 V CA 0.048 62.484 62.300 0.228 0.000 1.077 126 V CB 1.454 33.329 31.823 0.086 0.000 0.972 126 V HN 0.767 nan 8.190 nan 0.000 0.484 127 S N 4.483 120.189 115.700 0.010 0.000 2.498 127 S HA 0.505 4.976 4.470 0.001 0.000 0.317 127 S C 0.289 174.673 174.600 -0.361 0.000 1.090 127 S CA -0.768 57.342 58.200 -0.150 0.000 1.089 127 S CB 0.809 63.634 63.200 -0.626 0.000 0.997 127 S HN 0.587 nan 8.310 nan 0.000 0.470 128 L N 4.324 125.429 121.223 -0.197 0.000 2.611 128 L HA 0.255 4.595 4.340 0.001 0.000 0.229 128 L C 2.177 178.815 176.870 -0.388 0.000 1.137 128 L CA 0.122 54.842 54.840 -0.200 0.000 0.901 128 L CB -0.277 41.833 42.059 0.085 0.000 1.098 128 L HN 0.754 nan 8.230 nan 0.000 0.456 129 E N 1.845 121.740 120.200 -0.507 0.000 2.085 129 E HA -0.205 4.145 4.350 0.001 0.000 0.194 129 E C -0.659 175.663 176.600 -0.464 0.000 0.994 129 E CA 1.418 57.596 56.400 -0.370 0.000 0.801 129 E CB -0.404 29.146 29.700 -0.251 0.000 0.743 129 E HN 0.272 nan 8.360 nan 0.000 0.453 130 P HA -0.157 nan 4.420 nan 0.000 0.216 130 P C 0.481 177.442 177.300 -0.564 0.000 1.150 130 P CA 1.456 64.139 63.100 -0.695 0.000 0.837 130 P CB -0.170 30.962 31.700 -0.947 0.000 0.786 131 Y N -0.976 119.070 120.300 -0.423 0.000 2.263 131 Y HA -0.025 4.525 4.550 0.000 0.000 0.292 131 Y C 2.622 178.505 175.900 -0.028 0.000 1.130 131 Y CA 0.531 58.363 58.100 -0.447 0.000 1.179 131 Y CB -0.603 37.232 38.460 -1.042 0.000 0.998 131 Y HN -0.209 nan 8.280 nan 0.000 0.532 132 R N 0.319 120.849 120.500 0.050 0.000 2.081 132 R HA -0.161 4.179 4.340 0.001 0.000 0.235 132 R C 2.380 178.742 176.300 0.103 0.000 1.131 132 R CA 1.464 57.629 56.100 0.108 0.000 0.960 132 R CB -0.290 30.043 30.300 0.055 0.000 0.856 132 R HN 0.268 nan 8.270 nan 0.000 0.436 133 R N 0.711 121.241 120.500 0.051 0.000 2.073 133 R HA -0.133 4.207 4.340 0.001 0.000 0.234 133 R C 2.005 178.379 176.300 0.123 0.000 1.134 133 R CA 1.462 57.607 56.100 0.074 0.000 0.952 133 R CB 0.058 30.389 30.300 0.051 0.000 0.850 133 R HN 0.111 nan 8.270 nan 0.000 0.433 134 E N -0.150 120.143 120.200 0.155 0.000 2.153 134 E HA -0.158 4.193 4.350 0.001 0.000 0.194 134 E C 1.864 178.663 176.600 0.331 0.000 0.988 134 E CA 1.258 57.821 56.400 0.271 0.000 0.811 134 E CB -0.289 29.590 29.700 0.299 0.000 0.746 134 E HN 0.261 nan 8.360 nan 0.000 0.466 135 S N 0.717 116.624 115.700 0.344 0.000 2.382 135 S HA -0.187 4.283 4.470 0.001 0.000 0.228 135 S C 2.057 176.741 174.600 0.140 0.000 1.027 135 S CA 1.397 59.730 58.200 0.221 0.000 0.991 135 S CB 0.028 63.344 63.200 0.195 0.000 0.823 135 S HN 0.142 nan 8.310 nan 0.000 0.469 136 R N 0.662 121.238 120.500 0.127 0.000 2.148 136 R HA 0.106 4.446 4.340 0.001 0.000 0.223 136 R C 2.265 178.613 176.300 0.081 0.000 1.088 136 R CA 1.269 57.421 56.100 0.087 0.000 0.985 136 R CB -0.111 30.229 30.300 0.067 0.000 0.880 136 R HN 0.379 nan 8.270 nan 0.000 0.451 137 K N -0.152 120.307 120.400 0.098 0.000 2.057 137 K HA -0.074 4.246 4.320 0.001 0.000 0.207 137 K C 2.099 178.712 176.600 0.021 0.000 1.049 137 K CA 1.396 57.723 56.287 0.068 0.000 0.931 137 K CB -0.180 32.376 32.500 0.093 0.000 0.714 137 K HN 0.219 nan 8.250 nan 0.000 0.440 138 A N 1.461 124.307 122.820 0.043 0.000 1.902 138 A HA -0.167 4.153 4.320 0.001 0.000 0.217 138 A C 2.125 179.650 177.584 -0.098 0.000 1.181 138 A CA 1.186 53.157 52.037 -0.110 0.000 0.623 138 A CB -0.568 18.455 19.000 0.038 0.000 0.818 138 A HN 0.187 nan 8.150 nan 0.000 0.443 139 L N -0.185 121.117 121.223 0.132 0.000 2.042 139 L HA -0.179 4.162 4.340 0.001 0.000 0.210 139 L C 2.322 179.266 176.870 0.123 0.000 1.076 139 L CA 2.226 57.199 54.840 0.222 0.000 0.749 139 L CB -0.388 41.752 42.059 0.134 0.000 0.893 139 L HN 0.359 nan 8.230 nan 0.000 0.432 140 K N -0.814 119.613 120.400 0.045 0.000 2.097 140 K HA -0.097 4.223 4.320 0.001 0.000 0.205 140 K C 2.043 178.637 176.600 -0.009 0.000 1.050 140 K CA 1.473 57.775 56.287 0.025 0.000 0.938 140 K CB -0.189 32.320 32.500 0.015 0.000 0.718 140 K HN 0.334 nan 8.250 nan 0.000 0.442 141 I N 0.029 120.541 120.570 -0.097 0.000 2.315 141 I HA -0.234 3.936 4.170 0.001 0.000 0.248 141 I C 1.820 177.861 176.117 -0.127 0.000 1.117 141 I CA 1.375 62.574 61.300 -0.168 0.000 1.404 141 I CB -0.235 37.580 38.000 -0.308 0.000 1.071 141 I HN 0.083 nan 8.210 nan 0.000 0.419 142 F N 1.200 121.154 119.950 0.007 0.000 2.163 142 F HA -0.136 4.392 4.527 0.001 0.000 0.297 142 F C 2.528 178.332 175.800 0.008 0.000 1.094 142 F CA 1.077 59.078 58.000 0.000 0.000 1.290 142 F CB -0.272 38.720 39.000 -0.014 0.000 1.017 142 F HN -0.153 nan 8.300 nan 0.000 0.483 143 K N 0.234 120.748 120.400 0.190 0.000 2.147 143 K HA -0.153 4.168 4.320 0.001 0.000 0.205 143 K C 2.233 178.879 176.600 0.077 0.000 1.049 143 K CA 1.489 57.844 56.287 0.113 0.000 0.936 143 K CB -0.326 32.226 32.500 0.087 0.000 0.722 143 K HN 0.265 nan 8.250 nan 0.000 0.446 144 S N 0.584 116.319 115.700 0.058 0.000 2.402 144 S HA -0.085 4.385 4.470 0.001 0.000 0.229 144 S C 2.075 176.703 174.600 0.046 0.000 1.021 144 S CA 0.983 59.206 58.200 0.039 0.000 0.974 144 S CB -0.035 63.176 63.200 0.017 0.000 0.800 144 S HN 0.269 nan 8.310 nan 0.000 0.484 145 A N -0.708 122.150 122.820 0.064 0.000 2.147 145 A HA 0.472 4.792 4.320 0.001 0.000 0.211 145 A C 0.914 178.542 177.584 0.073 0.000 1.160 145 A CA 0.347 52.424 52.037 0.066 0.000 0.781 145 A CB -0.488 18.557 19.000 0.076 0.000 0.842 145 A HN 0.653 nan 8.150 nan 0.000 0.475 146 C N 0.014 119.362 119.300 0.081 0.000 2.880 146 C HA 0.506 4.966 4.460 0.001 0.000 0.320 146 C C 0.132 175.160 174.990 0.063 0.000 1.176 146 C CA -0.183 58.878 59.018 0.072 0.000 1.390 146 C CB 1.463 29.251 27.740 0.081 0.000 1.846 146 C HN 0.589 nan 8.230 nan 0.000 0.478 147 D N 2.433 122.864 120.400 0.051 0.000 2.349 147 D HA 0.128 4.768 4.640 0.001 0.000 0.215 147 D C 0.050 176.376 176.300 0.042 0.000 1.016 147 D CA 0.375 54.402 54.000 0.045 0.000 0.870 147 D CB 0.169 40.992 40.800 0.038 0.000 0.917 147 D HN 0.308 nan 8.370 nan 0.000 0.524 148 L N 0.968 122.217 121.223 0.044 0.000 2.529 148 L HA 0.400 4.740 4.340 0.001 0.000 0.260 148 L C -1.727 175.167 176.870 0.041 0.000 0.997 148 L CA -0.794 54.069 54.840 0.038 0.000 0.885 148 L CB 1.884 43.962 42.059 0.032 0.000 1.185 148 L HN -0.180 nan 8.230 nan 0.000 0.442 149 V N 3.758 123.698 119.914 0.042 0.000 2.444 149 V HA 0.486 4.607 4.120 0.001 0.000 0.294 149 V C -0.134 175.985 176.094 0.042 0.000 1.022 149 V CA -0.660 61.660 62.300 0.034 0.000 0.850 149 V CB 1.858 33.707 31.823 0.043 0.000 0.992 149 V HN 0.695 nan 8.190 nan 0.000 0.426 150 E N 4.308 124.548 120.200 0.067 0.000 2.197 150 E HA 0.343 4.693 4.350 0.001 0.000 0.281 150 E C -0.092 176.552 176.600 0.075 0.000 0.995 150 E CA -0.786 55.675 56.400 0.103 0.000 0.808 150 E CB 1.003 30.824 29.700 0.202 0.000 1.093 150 E HN 0.565 nan 8.360 nan 0.000 0.394 151 R N 3.825 124.360 120.500 0.058 0.000 2.325 151 R HA 0.173 4.513 4.340 0.001 0.000 0.323 151 R C 0.305 176.655 176.300 0.083 0.000 1.177 151 R CA 0.225 56.341 56.100 0.027 0.000 1.018 151 R CB 0.325 30.636 30.300 0.017 0.000 1.070 151 R HN 0.667 nan 8.270 nan 0.000 0.495 152 A N 2.843 125.710 122.820 0.079 0.000 2.016 152 A HA -0.013 4.308 4.320 0.001 0.000 0.217 152 A C 0.592 178.259 177.584 0.139 0.000 1.162 152 A CA 1.303 53.453 52.037 0.189 0.000 0.662 152 A CB 0.047 19.110 19.000 0.105 0.000 0.812 152 A HN 0.782 nan 8.150 nan 0.000 0.450 153 S N -3.080 112.640 115.700 0.034 0.000 2.671 153 S HA 0.313 4.783 4.470 0.001 0.000 0.270 153 S C 0.527 175.123 174.600 -0.007 0.000 1.166 153 S CA 0.099 58.321 58.200 0.037 0.000 0.868 153 S CB -0.310 62.904 63.200 0.023 0.000 1.190 153 S HN 0.344 nan 8.310 nan 0.000 0.494 154 I N 1.224 121.807 120.570 0.022 0.000 2.493 154 I HA -0.045 4.126 4.170 0.001 0.000 0.254 154 I C 0.931 176.973 176.117 -0.126 0.000 1.160 154 I CA 2.214 63.544 61.300 0.049 0.000 1.445 154 I CB -0.149 37.979 38.000 0.213 0.000 1.086 154 I HN 0.809 nan 8.210 nan 0.000 0.433 155 D N -0.601 119.656 120.400 -0.237 0.000 2.563 155 D HA 0.118 4.759 4.640 0.001 0.000 0.237 155 D C -0.149 175.925 176.300 -0.375 0.000 1.282 155 D CA -0.182 53.506 54.000 -0.520 0.000 0.816 155 D CB 0.130 40.536 40.800 -0.657 0.000 1.066 155 D HN 0.354 nan 8.370 nan 0.000 0.501 156 E N -0.110 119.907 120.200 -0.305 0.000 2.343 156 E HA 0.578 4.928 4.350 0.001 0.000 0.270 156 E C -0.709 175.623 176.600 -0.447 0.000 0.895 156 E CA -1.302 54.837 56.400 -0.435 0.000 0.767 156 E CB 3.098 32.561 29.700 -0.395 0.000 1.248 156 E HN 0.069 nan 8.360 nan 0.000 0.440 157 V N -1.436 118.073 119.914 -0.675 0.000 3.007 157 V HA 0.648 4.769 4.120 0.001 0.000 0.311 157 V C -1.173 174.538 176.094 -0.638 0.000 1.120 157 V CA -0.965 60.994 62.300 -0.569 0.000 0.980 157 V CB 1.227 32.605 31.823 -0.741 0.000 1.033 157 V HN 0.587 nan 8.190 nan 0.000 0.429 158 F N 2.357 122.192 119.950 -0.192 0.000 2.422 158 F HA 0.772 5.299 4.527 0.001 0.000 0.333 158 F C -0.004 175.713 175.800 -0.137 0.000 1.095 158 F CA -0.668 57.267 58.000 -0.108 0.000 1.038 158 F CB 1.905 40.903 39.000 -0.003 0.000 1.156 158 F HN 0.348 nan 8.300 nan 0.000 0.483 159 L N 2.579 123.853 121.223 0.085 0.000 2.341 159 L HA 0.366 4.707 4.340 0.001 0.000 0.278 159 L C -0.972 175.942 176.870 0.073 0.000 1.005 159 L CA -0.907 53.956 54.840 0.039 0.000 0.818 159 L CB 1.723 43.774 42.059 -0.013 0.000 1.259 159 L HN 0.457 nan 8.230 nan 0.000 0.418 160 D N 3.353 123.786 120.400 0.056 0.000 2.411 160 D HA 0.174 4.814 4.640 0.001 0.000 0.225 160 D C 0.260 176.584 176.300 0.041 0.000 1.156 160 D CA -0.333 53.696 54.000 0.048 0.000 0.874 160 D CB 1.378 42.205 40.800 0.044 0.000 1.034 160 D HN 0.224 nan 8.370 nan 0.000 0.502 161 L N 3.773 125.018 121.223 0.037 0.000 2.612 161 L HA 0.275 4.615 4.340 0.001 0.000 0.230 161 L C 2.206 179.093 176.870 0.028 0.000 1.140 161 L CA 0.323 55.182 54.840 0.032 0.000 0.896 161 L CB -0.414 41.661 42.059 0.027 0.000 1.065 161 L HN 0.590 nan 8.230 nan 0.000 0.447 162 G N -0.486 108.328 108.800 0.023 0.000 2.418 162 G HA2 -0.275 3.685 3.960 0.001 0.000 0.217 162 G HA3 -0.275 3.685 3.960 0.001 0.000 0.217 162 G C 1.849 176.776 174.900 0.045 0.000 1.158 162 G CA 0.345 45.454 45.100 0.016 0.000 0.771 162 G HN 0.227 nan 8.290 nan 0.000 0.545 163 R N 0.321 120.848 120.500 0.044 0.000 2.073 163 R HA 0.098 4.438 4.340 0.001 0.000 0.234 163 R C 2.610 178.980 176.300 0.116 0.000 1.134 163 R CA 0.871 57.020 56.100 0.082 0.000 0.952 163 R CB -0.752 29.583 30.300 0.059 0.000 0.850 163 R HN 0.460 nan 8.270 nan 0.000 0.433 164 I N -0.490 120.123 120.570 0.072 0.000 2.226 164 I HA -0.368 3.803 4.170 0.001 0.000 0.245 164 I C 2.001 178.143 176.117 0.042 0.000 1.100 164 I CA 1.168 62.500 61.300 0.054 0.000 1.374 164 I CB -0.292 37.727 38.000 0.033 0.000 1.057 164 I HN 0.197 nan 8.210 nan 0.000 0.413 165 C N 0.095 119.419 119.300 0.040 0.000 2.466 165 C HA -0.159 4.301 4.460 0.001 0.000 0.278 165 C C 2.735 177.741 174.990 0.027 0.000 1.288 165 C CA 0.230 59.252 59.018 0.006 0.000 1.722 165 C CB -1.001 26.736 27.740 -0.006 0.000 2.017 165 C HN 0.523 nan 8.230 nan 0.000 0.488 166 F N 2.806 122.709 119.950 -0.078 0.000 2.095 166 F HA -0.146 4.382 4.527 0.002 0.000 0.298 166 F C 2.174 177.955 175.800 -0.032 0.000 1.104 166 F CA 1.878 59.817 58.000 -0.103 0.000 1.232 166 F CB -0.480 38.459 39.000 -0.101 0.000 0.987 166 F HN 0.201 nan 8.300 nan 0.000 0.475 167 N N 0.097 118.876 118.700 0.132 0.000 2.244 167 N HA -0.173 4.567 4.740 0.001 0.000 0.183 167 N C 1.985 177.538 175.510 0.071 0.000 1.016 167 N CA 1.426 54.568 53.050 0.152 0.000 0.866 167 N CB -0.491 38.106 38.487 0.184 0.000 0.980 167 N HN 0.417 nan 8.380 nan 0.000 0.430 168 M N 0.081 119.677 119.600 -0.007 0.000 2.132 168 M HA -0.078 4.402 4.480 0.001 0.000 0.263 168 M C 1.950 178.179 176.300 -0.119 0.000 1.065 168 M CA 1.081 56.349 55.300 -0.054 0.000 1.122 168 M CB 0.017 32.555 32.600 -0.103 0.000 1.365 168 M HN 0.067 nan 8.290 nan 0.000 0.411 169 L N 0.291 121.401 121.223 -0.188 0.000 2.046 169 L HA -0.205 4.136 4.340 0.001 0.000 0.208 169 L C 2.048 178.705 176.870 -0.355 0.000 1.077 169 L CA 1.625 56.317 54.840 -0.246 0.000 0.747 169 L CB -0.202 41.685 42.059 -0.285 0.000 0.896 169 L HN 0.339 nan 8.230 nan 0.000 0.432 170 M N -2.434 116.839 119.600 -0.544 0.000 2.501 170 M HA 0.105 4.586 4.480 0.001 0.000 0.261 170 M C 0.966 176.733 176.300 -0.887 0.000 1.129 170 M CA 1.077 55.886 55.300 -0.819 0.000 1.126 170 M CB -0.253 31.587 32.600 -1.267 0.000 1.359 170 M HN 0.218 nan 8.290 nan 0.000 0.471 171 F N -1.150 118.731 119.950 -0.115 0.000 2.915 171 F HA 0.213 4.741 4.527 0.000 0.000 0.347 171 F C 0.563 176.357 175.800 -0.010 0.000 1.104 171 F CA -1.179 56.803 58.000 -0.030 0.000 1.126 171 F CB 0.492 39.491 39.000 -0.002 0.000 1.145 171 F HN -0.064 nan 8.300 nan 0.000 0.541 172 D N 1.265 121.729 120.400 0.107 0.000 2.339 172 D HA 0.041 4.681 4.640 0.001 0.000 0.256 172 D C 0.397 176.751 176.300 0.089 0.000 1.214 172 D CA 0.477 54.535 54.000 0.096 0.000 0.877 172 D CB 0.602 41.441 40.800 0.065 0.000 1.111 172 D HN 0.066 nan 8.370 nan 0.000 0.478 173 N N 2.984 121.740 118.700 0.093 0.000 2.236 173 N HA -0.022 4.718 4.740 0.001 0.000 0.196 173 N C 0.792 176.345 175.510 0.071 0.000 1.114 173 N CA -0.005 53.090 53.050 0.075 0.000 0.859 173 N CB 0.627 39.156 38.487 0.069 0.000 0.982 173 N HN 0.498 nan 8.380 nan 0.000 0.493 174 E N -0.141 120.112 120.200 0.088 0.000 2.075 174 E HA -0.031 4.319 4.350 0.001 0.000 0.190 174 E C 0.286 176.934 176.600 0.081 0.000 0.969 174 E CA 0.060 56.503 56.400 0.073 0.000 0.815 174 E CB -0.544 29.201 29.700 0.075 0.000 0.776 174 E HN 0.294 nan 8.360 nan 0.000 0.457 175 Y N 2.807 123.110 120.300 0.006 0.000 2.717 175 Y HA -0.093 4.457 4.550 0.001 0.000 0.330 175 Y C 0.155 176.051 175.900 -0.005 0.000 1.217 175 Y CA 0.581 58.680 58.100 -0.001 0.000 1.506 175 Y CB 0.366 38.822 38.460 -0.006 0.000 1.268 175 Y HN -0.130 nan 8.280 nan 0.000 0.561 176 E N 6.326 126.228 120.200 -0.497 0.000 2.145 176 E HA 0.110 4.460 4.350 0.001 0.000 0.270 176 E C -0.051 176.342 176.600 -0.344 0.000 0.906 176 E CA -0.615 55.606 56.400 -0.298 0.000 0.761 176 E CB 1.685 31.242 29.700 -0.238 0.000 1.116 176 E HN 0.621 nan 8.360 nan 0.000 0.408 177 L N 1.954 123.120 121.223 -0.096 0.000 2.027 177 L HA -0.064 4.276 4.340 0.001 0.000 0.206 177 L C 1.320 178.154 176.870 -0.060 0.000 1.074 177 L CA 1.725 56.550 54.840 -0.025 0.000 0.745 177 L CB -0.568 41.505 42.059 0.024 0.000 0.898 177 L HN 0.700 nan 8.230 nan 0.000 0.433 178 T N -6.667 107.850 114.554 -0.062 0.000 2.696 178 T HA 0.490 4.840 4.350 0.001 0.000 0.291 178 T C 0.995 175.659 174.700 -0.060 0.000 1.095 178 T CA -0.230 61.837 62.100 -0.055 0.000 1.026 178 T CB 0.781 69.631 68.868 -0.030 0.000 1.390 178 T HN -0.007 nan 8.240 nan 0.000 0.513 179 G N -0.727 108.044 108.800 -0.047 0.000 2.432 179 G HA2 0.058 4.018 3.960 0.001 0.000 0.219 179 G HA3 0.058 4.018 3.960 0.001 0.000 0.219 179 G C 1.050 175.930 174.900 -0.032 0.000 1.135 179 G CA 1.255 46.330 45.100 -0.042 0.000 0.767 179 G HN 1.104 nan 8.290 nan 0.000 0.550 180 D N -0.797 119.588 120.400 -0.026 0.000 2.369 180 D HA 0.556 5.196 4.640 0.001 0.000 0.211 180 D C 0.314 176.605 176.300 -0.015 0.000 1.077 180 D CA -0.068 53.922 54.000 -0.017 0.000 0.842 180 D CB 0.263 41.056 40.800 -0.013 0.000 0.947 180 D HN 0.245 nan 8.370 nan 0.000 0.509 181 L N -0.075 121.136 121.223 -0.020 0.000 2.476 181 L HA 0.428 4.768 4.340 0.001 0.000 0.269 181 L C -1.096 175.766 176.870 -0.014 0.000 0.965 181 L CA -0.923 53.910 54.840 -0.012 0.000 0.845 181 L CB 2.013 44.068 42.059 -0.007 0.000 1.259 181 L HN -0.082 nan 8.230 nan 0.000 0.403 182 K N 4.295 124.696 120.400 0.001 0.000 2.110 182 K HA 0.367 4.687 4.320 0.001 0.000 0.263 182 K C 0.892 177.519 176.600 0.045 0.000 0.975 182 K CA -0.714 55.582 56.287 0.015 0.000 0.895 182 K CB 1.993 34.503 32.500 0.017 0.000 1.060 182 K HN 0.667 nan 8.250 nan 0.000 0.448 183 L N 2.925 124.204 121.223 0.092 0.000 2.051 183 L HA -0.316 4.024 4.340 0.001 0.000 0.214 183 L C 2.376 179.278 176.870 0.053 0.000 1.076 183 L CA 1.971 56.874 54.840 0.105 0.000 0.758 183 L CB -0.261 41.900 42.059 0.169 0.000 0.890 183 L HN 0.702 nan 8.230 nan 0.000 0.433 184 K N -1.134 119.293 120.400 0.044 0.000 2.103 184 K HA -0.215 4.106 4.320 0.001 0.000 0.207 184 K C 1.486 178.099 176.600 0.021 0.000 1.048 184 K CA 1.864 58.164 56.287 0.021 0.000 0.930 184 K CB -0.382 32.133 32.500 0.025 0.000 0.716 184 K HN 0.333 nan 8.250 nan 0.000 0.444 185 D N 1.369 121.784 120.400 0.026 0.000 2.091 185 D HA -0.059 4.581 4.640 0.001 0.000 0.199 185 D C 2.193 178.509 176.300 0.027 0.000 0.980 185 D CA 1.534 55.548 54.000 0.023 0.000 0.831 185 D CB -0.340 40.471 40.800 0.018 0.000 0.987 185 D HN 0.375 nan 8.370 nan 0.000 0.460 186 A N 0.965 123.802 122.820 0.029 0.000 1.927 186 A HA -0.152 4.168 4.320 0.001 0.000 0.220 186 A C 2.004 179.616 177.584 0.047 0.000 1.185 186 A CA 1.190 53.245 52.037 0.030 0.000 0.639 186 A CB -0.641 18.376 19.000 0.029 0.000 0.820 186 A HN 0.264 nan 8.150 nan 0.000 0.451 187 L N 0.458 121.713 121.223 0.052 0.000 2.928 187 L HA 0.082 4.423 4.340 0.001 0.000 0.246 187 L C 1.745 178.643 176.870 0.047 0.000 1.239 187 L CA 0.308 55.194 54.840 0.077 0.000 1.035 187 L CB 0.063 42.161 42.059 0.065 0.000 1.360 187 L HN 0.414 nan 8.230 nan 0.000 0.529 188 S N -0.275 115.451 115.700 0.043 0.000 2.365 188 S HA -0.283 4.188 4.470 0.001 0.000 0.225 188 S C 1.712 176.346 174.600 0.056 0.000 1.039 188 S CA 1.959 60.181 58.200 0.037 0.000 1.033 188 S CB -0.461 62.762 63.200 0.037 0.000 0.887 188 S HN 0.655 nan 8.310 nan 0.000 0.447 189 N N 1.393 120.141 118.700 0.081 0.000 2.013 189 N HA -0.161 4.580 4.740 0.001 0.000 0.195 189 N C 1.931 177.513 175.510 0.121 0.000 1.051 189 N CA 1.760 54.873 53.050 0.105 0.000 0.851 189 N CB -0.307 38.254 38.487 0.122 0.000 1.044 189 N HN 0.405 nan 8.380 nan 0.000 0.422 190 I N 1.679 122.316 120.570 0.112 0.000 2.208 190 I HA -0.224 3.946 4.170 0.001 0.000 0.245 190 I C 2.540 178.703 176.117 0.077 0.000 1.097 190 I CA 1.256 62.586 61.300 0.050 0.000 1.363 190 I CB -0.196 37.697 38.000 -0.179 0.000 1.051 190 I HN 0.143 nan 8.210 nan 0.000 0.413 191 R N 0.173 120.677 120.500 0.007 0.000 2.081 191 R HA -0.183 4.158 4.340 0.001 0.000 0.235 191 R C 2.239 178.585 176.300 0.075 0.000 1.131 191 R CA 1.930 58.018 56.100 -0.019 0.000 0.960 191 R CB -0.419 29.819 30.300 -0.104 0.000 0.856 191 R HN 0.510 nan 8.270 nan 0.000 0.436 192 E N 0.183 120.428 120.200 0.076 0.000 2.072 192 E HA -0.158 4.192 4.350 0.001 0.000 0.191 192 E C 2.011 178.680 176.600 0.114 0.000 0.985 192 E CA 1.094 57.540 56.400 0.076 0.000 0.801 192 E CB -0.061 29.678 29.700 0.065 0.000 0.750 192 E HN 0.363 nan 8.360 nan 0.000 0.452 193 A N 0.878 123.809 122.820 0.186 0.000 1.933 193 A HA -0.185 4.136 4.320 0.001 0.000 0.218 193 A C 1.951 179.667 177.584 0.219 0.000 1.175 193 A CA 1.037 53.211 52.037 0.227 0.000 0.628 193 A CB -0.610 18.621 19.000 0.386 0.000 0.814 193 A HN 0.336 nan 8.150 nan 0.000 0.444 194 F N 0.248 120.278 119.950 0.133 0.000 2.084 194 F HA -0.116 4.411 4.527 0.000 0.000 0.296 194 F C 1.806 177.683 175.800 0.129 0.000 1.111 194 F CA 1.528 59.596 58.000 0.113 0.000 1.224 194 F CB -0.484 38.594 39.000 0.130 0.000 0.991 194 F HN 0.189 nan 8.300 nan 0.000 0.471 195 I N 1.051 121.562 120.570 -0.099 0.000 2.361 195 I HA -0.058 4.112 4.170 0.001 0.000 0.251 195 I C 2.500 178.530 176.117 -0.145 0.000 1.133 195 I CA 1.565 62.741 61.300 -0.207 0.000 1.413 195 I CB -1.344 36.626 38.000 -0.051 0.000 1.073 195 I HN 0.235 nan 8.210 nan 0.000 0.424 196 G N -0.260 108.501 108.800 -0.064 0.000 2.450 196 G HA2 -0.077 3.883 3.960 0.001 0.000 0.220 196 G HA3 -0.077 3.883 3.960 0.001 0.000 0.220 196 G C 1.545 176.356 174.900 -0.148 0.000 1.130 196 G CA 0.766 45.825 45.100 -0.067 0.000 0.760 196 G HN 0.807 nan 8.290 nan 0.000 0.557 197 G N -0.411 108.254 108.800 -0.226 0.000 2.184 197 G HA2 -0.310 3.650 3.960 0.001 0.000 0.264 197 G HA3 -0.310 3.650 3.960 0.001 0.000 0.264 197 G C 0.396 174.926 174.900 -0.616 0.000 0.975 197 G CA 0.448 45.268 45.100 -0.467 0.000 0.642 197 G HN 0.606 nan 8.290 nan 0.000 0.536 198 N N 0.836 119.318 118.700 -0.363 0.000 3.124 198 N HA 0.544 5.284 4.740 0.001 0.000 0.284 198 N C -0.536 174.835 175.510 -0.232 0.000 1.209 198 N CA -0.044 52.843 53.050 -0.271 0.000 1.149 198 N CB 0.039 38.459 38.487 -0.111 0.000 1.434 198 N HN 0.703 nan 8.380 nan 0.000 0.529 199 Y N -2.321 117.800 120.300 -0.299 0.000 2.581 199 Y HA 0.484 5.034 4.550 0.000 0.000 0.337 199 Y C -1.073 174.691 175.900 -0.227 0.000 1.108 199 Y CA -1.888 56.008 58.100 -0.340 0.000 1.033 199 Y CB 0.780 38.708 38.460 -0.887 0.000 1.318 199 Y HN -0.078 nan 8.280 nan 0.000 0.459 200 D N 2.376 122.818 120.400 0.070 0.000 2.304 200 D HA 0.191 4.831 4.640 0.001 0.000 0.250 200 D C 1.255 177.689 176.300 0.222 0.000 1.107 200 D CA -0.354 53.698 54.000 0.086 0.000 0.885 200 D CB 1.130 41.980 40.800 0.084 0.000 1.192 200 D HN 0.746 nan 8.370 nan 0.000 0.436 201 I N 0.986 121.675 120.570 0.199 0.000 2.423 201 I HA -0.168 4.003 4.170 0.001 0.000 0.254 201 I C 0.745 176.989 176.117 0.212 0.000 1.151 201 I CA 0.992 62.450 61.300 0.262 0.000 1.421 201 I CB -0.218 37.891 38.000 0.182 0.000 1.079 201 I HN 0.173 nan 8.210 nan 0.000 0.431 202 N N 1.135 119.920 118.700 0.141 0.000 2.336 202 N HA 0.110 4.850 4.740 0.001 0.000 0.189 202 N C 0.314 175.868 175.510 0.073 0.000 1.113 202 N CA 0.159 53.254 53.050 0.074 0.000 0.858 202 N CB 0.256 38.773 38.487 0.050 0.000 0.970 202 N HN 0.297 nan 8.380 nan 0.000 0.471 203 S N 0.765 116.576 115.700 0.186 0.000 2.562 203 S HA 0.054 4.525 4.470 0.001 0.000 0.281 203 S C 0.223 174.944 174.600 0.202 0.000 1.333 203 S CA -0.258 58.089 58.200 0.243 0.000 1.052 203 S CB 0.653 64.066 63.200 0.355 0.000 0.884 203 S HN 0.235 nan 8.310 nan 0.000 0.506 204 H N 1.925 121.094 119.070 0.164 0.000 2.707 204 H HA 0.173 4.729 4.556 0.001 0.000 0.359 204 H C 0.345 175.695 175.328 0.037 0.000 1.113 204 H CA 0.011 56.107 56.048 0.080 0.000 1.422 204 H CB 0.430 30.226 29.762 0.058 0.000 1.443 204 H HN 0.421 nan 8.280 nan 0.000 0.591 205 L N 4.643 125.840 121.223 -0.044 0.000 2.473 205 L HA 0.084 4.424 4.340 0.001 0.000 0.268 205 L C -1.619 175.286 176.870 0.059 0.000 1.215 205 L CA -1.670 52.981 54.840 -0.314 0.000 0.823 205 L CB 0.073 41.812 42.059 -0.533 0.000 1.099 205 L HN 0.443 nan 8.230 nan 0.000 0.483 206 P HA 0.005 nan 4.420 nan 0.000 0.269 206 P C -0.530 176.975 177.300 0.341 0.000 1.215 206 P CA -0.198 63.029 63.100 0.210 0.000 0.780 206 P CB 0.567 32.395 31.700 0.213 0.000 0.898 207 L N 2.384 123.732 121.223 0.208 0.000 2.485 207 L HA 0.079 4.419 4.340 0.001 0.000 0.275 207 L C 1.296 178.190 176.870 0.039 0.000 1.207 207 L CA -0.496 54.408 54.840 0.107 0.000 0.855 207 L CB -0.163 41.913 42.059 0.029 0.000 1.114 207 L HN 0.371 nan 8.230 nan 0.000 0.485 208 I N 1.963 122.340 120.570 -0.322 0.000 2.880 208 I HA 0.101 4.271 4.170 0.001 0.000 0.296 208 I C -1.978 173.981 176.117 -0.263 0.000 1.220 208 I CA -1.385 59.511 61.300 -0.672 0.000 1.435 208 I CB -0.392 37.024 38.000 -0.973 0.000 1.339 208 I HN 0.379 nan 8.210 nan 0.000 0.583 209 P HA 0.117 nan 4.420 nan 0.000 0.275 209 P C 0.059 177.300 177.300 -0.100 0.000 1.228 209 P CA -0.174 62.886 63.100 -0.067 0.000 0.786 209 P CB 1.324 33.026 31.700 0.004 0.000 0.927 210 E N 2.133 122.295 120.200 -0.062 0.000 2.160 210 E HA -0.203 4.147 4.350 0.001 0.000 0.195 210 E C 1.742 178.311 176.600 -0.052 0.000 0.991 210 E CA 1.615 57.981 56.400 -0.058 0.000 0.810 210 E CB -0.364 29.316 29.700 -0.034 0.000 0.742 210 E HN 0.374 nan 8.360 nan 0.000 0.466 211 K N -0.530 119.846 120.400 -0.038 0.000 2.280 211 K HA -0.087 4.234 4.320 0.001 0.000 0.202 211 K C 1.624 178.202 176.600 -0.037 0.000 1.047 211 K CA 0.700 56.971 56.287 -0.027 0.000 0.942 211 K CB -0.108 32.386 32.500 -0.010 0.000 0.739 211 K HN 0.152 nan 8.250 nan 0.000 0.457 212 I N 1.442 121.971 120.570 -0.069 0.000 3.111 212 I HA -0.132 4.038 4.170 0.001 0.000 0.272 212 I C 0.859 176.923 176.117 -0.090 0.000 1.268 212 I CA 1.147 62.396 61.300 -0.084 0.000 1.467 212 I CB -0.021 37.889 38.000 -0.149 0.000 1.087 212 I HN -0.013 nan 8.210 nan 0.000 0.467 213 K N -0.087 120.265 120.400 -0.079 0.000 2.442 213 K HA 0.003 4.323 4.320 0.001 0.000 0.198 213 K C 1.580 178.165 176.600 -0.025 0.000 1.042 213 K CA 1.111 57.367 56.287 -0.053 0.000 0.958 213 K CB -0.230 32.243 32.500 -0.045 0.000 0.766 213 K HN 0.387 nan 8.250 nan 0.000 0.474 214 S N 0.919 116.606 115.700 -0.022 0.000 2.650 214 S HA 0.028 4.498 4.470 0.001 0.000 0.219 214 S C 0.458 175.057 174.600 -0.001 0.000 0.960 214 S CA -0.365 57.831 58.200 -0.006 0.000 0.925 214 S CB -0.240 62.957 63.200 -0.005 0.000 0.775 214 S HN 0.134 nan 8.310 nan 0.000 0.525 215 L N 2.855 124.065 121.223 -0.022 0.000 2.410 215 L HA 0.323 4.663 4.340 0.001 0.000 0.273 215 L C -0.142 176.691 176.870 -0.062 0.000 1.152 215 L CA 0.215 55.035 54.840 -0.033 0.000 0.855 215 L CB 0.290 42.289 42.059 -0.101 0.000 1.129 215 L HN -0.010 nan 8.230 nan 0.000 0.463 216 K N 4.641 125.025 120.400 -0.026 0.000 2.110 216 K HA 0.371 4.691 4.320 0.001 0.000 0.263 216 K C -0.969 175.587 176.600 -0.074 0.000 0.975 216 K CA -0.441 55.849 56.287 0.005 0.000 0.895 216 K CB 1.047 33.582 32.500 0.059 0.000 1.060 216 K HN 0.373 nan 8.250 nan 0.000 0.448 217 F N 1.531 121.497 119.950 0.026 0.000 2.410 217 F HA 0.099 4.627 4.527 0.000 0.000 0.348 217 F C 0.732 176.550 175.800 0.030 0.000 1.106 217 F CA -0.286 57.727 58.000 0.021 0.000 1.163 217 F CB 1.103 40.110 39.000 0.011 0.000 1.129 217 F HN 0.424 nan 8.300 nan 0.000 0.516 218 E N 2.493 122.814 120.200 0.201 0.000 2.115 218 E HA 0.589 4.939 4.350 0.001 0.000 0.282 218 E C 0.031 176.717 176.600 0.143 0.000 0.987 218 E CA 0.004 56.489 56.400 0.142 0.000 0.797 218 E CB 0.758 30.517 29.700 0.099 0.000 1.086 218 E HN 0.811 nan 8.360 nan 0.000 0.397 219 G N 3.743 112.612 108.800 0.114 0.000 2.384 219 G HA2 -0.091 3.870 3.960 0.001 0.000 0.668 219 G HA3 -0.091 3.870 3.960 0.001 0.000 0.668 219 G C -1.421 173.523 174.900 0.072 0.000 1.280 219 G CA -0.705 44.448 45.100 0.089 0.000 0.992 219 G HN 0.510 nan 8.290 nan 0.000 0.512 220 D N 0.303 120.741 120.400 0.063 0.000 2.317 220 D HA 0.392 5.032 4.640 0.001 0.000 0.252 220 D C 0.412 176.712 176.300 0.001 0.000 1.174 220 D CA -0.003 54.028 54.000 0.051 0.000 0.866 220 D CB 1.826 42.691 40.800 0.108 0.000 1.127 220 D HN 0.354 nan 8.370 nan 0.000 0.467 221 V N 4.104 123.971 119.914 -0.078 0.000 2.353 221 V HA 0.050 4.170 4.120 0.001 0.000 0.264 221 V C 0.327 176.360 176.094 -0.103 0.000 1.049 221 V CA -0.788 61.397 62.300 -0.192 0.000 0.896 221 V CB -0.126 31.459 31.823 -0.396 0.000 1.025 221 V HN 0.369 nan 8.190 nan 0.000 0.475 222 F N 5.482 125.325 119.950 -0.178 0.000 2.538 222 F HA 0.134 4.662 4.527 0.001 0.000 0.382 222 F C 0.879 176.623 175.800 -0.092 0.000 1.069 222 F CA 0.779 58.709 58.000 -0.117 0.000 1.138 222 F CB -0.094 38.799 39.000 -0.178 0.000 1.068 222 F HN 0.640 nan 8.300 nan 0.000 0.556 223 N N 7.262 125.620 118.700 -0.569 0.000 2.725 223 N HA 0.146 4.887 4.740 0.001 0.000 0.225 223 N C -2.070 173.220 175.510 -0.366 0.000 1.465 223 N CA -0.827 52.015 53.050 -0.346 0.000 0.830 223 N CB 0.599 38.969 38.487 -0.194 0.000 1.460 223 N HN 0.293 nan 8.380 nan 0.000 0.538 224 P HA -0.096 nan 4.420 nan 0.000 0.220 224 P C 0.470 177.681 177.300 -0.149 0.000 1.148 224 P CA 1.172 64.088 63.100 -0.307 0.000 0.803 224 P CB 0.394 31.921 31.700 -0.288 0.000 0.782 225 E N -0.842 119.292 120.200 -0.111 0.000 2.489 225 E HA 0.156 4.507 4.350 0.001 0.000 0.193 225 E C 1.350 177.915 176.600 -0.057 0.000 1.057 225 E CA 0.501 56.867 56.400 -0.057 0.000 0.866 225 E CB -0.687 29.000 29.700 -0.022 0.000 0.916 225 E HN 0.309 nan 8.360 nan 0.000 0.500 226 G N 2.477 111.230 108.800 -0.079 0.000 2.198 226 G HA2 -0.348 3.612 3.960 0.001 0.000 0.257 226 G HA3 -0.348 3.612 3.960 0.001 0.000 0.257 226 G C 0.146 175.019 174.900 -0.046 0.000 1.042 226 G CA 0.250 45.312 45.100 -0.062 0.000 0.791 226 G HN 0.196 nan 8.290 nan 0.000 0.502 227 R N -0.130 120.342 120.500 -0.046 0.000 2.679 227 R HA 0.335 4.676 4.340 0.001 0.000 0.269 227 R C -0.028 176.254 176.300 -0.029 0.000 1.076 227 R CA -0.536 55.546 56.100 -0.030 0.000 1.160 227 R CB 0.356 30.644 30.300 -0.020 0.000 1.054 227 R HN 0.210 nan 8.270 nan 0.000 0.507 228 D N 1.067 121.457 120.400 -0.017 0.000 2.399 228 D HA -0.006 4.634 4.640 0.001 0.000 0.241 228 D C 1.275 177.578 176.300 0.004 0.000 1.133 228 D CA 0.105 54.100 54.000 -0.008 0.000 0.890 228 D CB 0.738 41.534 40.800 -0.007 0.000 1.201 228 D HN 0.345 nan 8.370 nan 0.000 0.432 229 L N 1.038 122.278 121.223 0.028 0.000 2.023 229 L HA 0.059 4.399 4.340 0.001 0.000 0.205 229 L C 0.955 177.929 176.870 0.173 0.000 1.073 229 L CA 0.893 55.781 54.840 0.080 0.000 0.745 229 L CB -0.118 42.033 42.059 0.154 0.000 0.900 229 L HN 0.305 nan 8.230 nan 0.000 0.435 230 I N 0.250 120.889 120.570 0.114 0.000 2.428 230 I HA 0.093 4.263 4.170 0.001 0.000 0.279 230 I C 0.553 176.655 176.117 -0.025 0.000 1.040 230 I CA -0.004 61.331 61.300 0.059 0.000 1.171 230 I CB 1.400 39.402 38.000 0.004 0.000 1.312 230 I HN 0.118 nan 8.210 nan 0.000 0.470 231 T N -0.664 113.875 114.554 -0.026 0.000 2.975 231 T HA 0.260 4.610 4.350 0.001 0.000 0.261 231 T C 0.178 174.823 174.700 -0.092 0.000 0.984 231 T CA -0.026 62.041 62.100 -0.056 0.000 0.911 231 T CB 0.579 69.436 68.868 -0.019 0.000 1.127 231 T HN 0.403 nan 8.240 nan 0.000 0.514 232 D N -1.566 118.782 120.400 -0.088 0.000 2.692 232 D HA 0.361 5.001 4.640 0.001 0.000 0.303 232 D C -0.827 175.393 176.300 -0.133 0.000 1.278 232 D CA -0.914 53.028 54.000 -0.096 0.000 0.852 232 D CB 0.445 41.342 40.800 0.161 0.000 1.375 232 D HN 0.040 nan 8.370 nan 0.000 0.453 233 W N 0.531 121.874 121.300 0.071 0.000 2.519 233 W HA -0.040 4.620 4.660 0.001 0.000 0.266 233 W C 1.841 178.241 176.519 -0.199 0.000 1.253 233 W CA 0.772 58.060 57.345 -0.095 0.000 1.274 233 W CB 0.081 29.446 29.460 -0.157 0.000 1.114 233 W HN 0.441 nan 8.180 nan 0.000 0.596 234 D N -0.055 120.318 120.400 -0.045 0.000 2.117 234 D HA -0.221 4.419 4.640 0.001 0.000 0.197 234 D C 1.251 177.561 176.300 0.017 0.000 0.987 234 D CA 1.763 55.690 54.000 -0.122 0.000 0.829 234 D CB -1.005 39.732 40.800 -0.106 0.000 0.961 234 D HN 0.145 nan 8.370 nan 0.000 0.460 235 D N 0.492 120.933 120.400 0.068 0.000 2.149 235 D HA -0.067 4.573 4.640 0.001 0.000 0.201 235 D C 2.395 178.706 176.300 0.017 0.000 0.972 235 D CA 0.572 54.662 54.000 0.151 0.000 0.835 235 D CB -0.014 40.893 40.800 0.180 0.000 0.966 235 D HN 0.180 nan 8.370 nan 0.000 0.476 236 V N 1.912 121.796 119.914 -0.051 0.000 2.343 236 V HA -0.205 3.916 4.120 0.001 0.000 0.247 236 V C 2.545 178.583 176.094 -0.093 0.000 1.051 236 V CA 0.992 63.231 62.300 -0.103 0.000 1.036 236 V CB -0.206 31.607 31.823 -0.018 0.000 0.654 236 V HN 0.177 nan 8.190 nan 0.000 0.451 237 I N -0.559 119.994 120.570 -0.030 0.000 2.252 237 I HA -0.186 3.985 4.170 0.001 0.000 0.245 237 I C 2.407 178.489 176.117 -0.059 0.000 1.102 237 I CA 1.537 62.809 61.300 -0.047 0.000 1.385 237 I CB -0.889 37.085 38.000 -0.043 0.000 1.064 237 I HN 0.322 nan 8.210 nan 0.000 0.414 238 L N 1.388 122.600 121.223 -0.019 0.000 2.042 238 L HA -0.144 4.196 4.340 0.001 0.000 0.210 238 L C 2.607 179.461 176.870 -0.027 0.000 1.076 238 L CA 2.154 57.028 54.840 0.056 0.000 0.749 238 L CB -0.876 41.306 42.059 0.204 0.000 0.893 238 L HN 0.196 nan 8.230 nan 0.000 0.432 239 A N -0.893 121.704 122.820 -0.371 0.000 1.898 239 A HA -0.150 4.170 4.320 0.001 0.000 0.216 239 A C 2.252 179.637 177.584 -0.331 0.000 1.181 239 A CA 1.770 53.349 52.037 -0.763 0.000 0.620 239 A CB -0.773 17.497 19.000 -1.215 0.000 0.819 239 A HN 0.468 nan 8.150 nan 0.000 0.442 240 L N -0.668 120.400 121.223 -0.260 0.000 2.017 240 L HA -0.146 4.195 4.340 0.001 0.000 0.208 240 L C 2.871 179.656 176.870 -0.141 0.000 1.073 240 L CA 1.220 55.922 54.840 -0.230 0.000 0.745 240 L CB -0.979 40.951 42.059 -0.216 0.000 0.894 240 L HN 0.485 nan 8.230 nan 0.000 0.432 241 G N -0.124 108.626 108.800 -0.083 0.000 2.440 241 G HA2 -0.321 3.639 3.960 0.001 0.000 0.218 241 G HA3 -0.321 3.639 3.960 0.001 0.000 0.218 241 G C 1.816 176.717 174.900 0.001 0.000 1.154 241 G CA 1.136 46.220 45.100 -0.026 0.000 0.767 241 G HN 0.510 nan 8.290 nan 0.000 0.552 242 S N 0.215 115.925 115.700 0.018 0.000 2.382 242 S HA -0.159 4.311 4.470 0.001 0.000 0.228 242 S C 2.202 176.827 174.600 0.041 0.000 1.027 242 S CA 1.691 59.929 58.200 0.063 0.000 0.991 242 S CB -0.334 62.958 63.200 0.153 0.000 0.823 242 S HN 0.410 nan 8.310 nan 0.000 0.469 243 Q N 0.922 120.722 119.800 0.001 0.000 2.079 243 Q HA 0.018 4.358 4.340 0.001 0.000 0.200 243 Q C 2.605 178.621 176.000 0.026 0.000 0.974 243 Q CA 1.388 57.205 55.803 0.023 0.000 0.840 243 Q CB -0.962 27.780 28.738 0.007 0.000 0.898 243 Q HN 0.572 nan 8.270 nan 0.000 0.430 244 V N 0.509 120.422 119.914 -0.002 0.000 2.343 244 V HA -0.272 3.849 4.120 0.001 0.000 0.247 244 V C 2.546 178.665 176.094 0.041 0.000 1.051 244 V CA 1.493 63.802 62.300 0.015 0.000 1.036 244 V CB -0.718 31.106 31.823 0.002 0.000 0.654 244 V HN 0.371 nan 8.190 nan 0.000 0.451 245 C N -0.219 119.107 119.300 0.044 0.000 2.425 245 C HA -0.142 4.319 4.460 0.001 0.000 0.277 245 C C 2.859 177.888 174.990 0.065 0.000 1.280 245 C CA 1.447 60.502 59.018 0.061 0.000 1.744 245 C CB -0.728 27.044 27.740 0.054 0.000 1.989 245 C HN 0.593 nan 8.230 nan 0.000 0.491 246 K N 1.443 121.878 120.400 0.058 0.000 2.009 246 K HA -0.058 4.262 4.320 0.001 0.000 0.210 246 K C 2.044 178.675 176.600 0.051 0.000 1.049 246 K CA 2.227 58.548 56.287 0.056 0.000 0.929 246 K CB -1.126 31.409 32.500 0.057 0.000 0.714 246 K HN 0.371 nan 8.250 nan 0.000 0.440 247 G N 1.010 109.840 108.800 0.050 0.000 2.505 247 G HA2 -0.261 3.699 3.960 0.001 0.000 0.220 247 G HA3 -0.261 3.699 3.960 0.001 0.000 0.220 247 G C 1.654 176.576 174.900 0.036 0.000 1.145 247 G CA 1.372 46.497 45.100 0.042 0.000 0.761 247 G HN 0.379 nan 8.290 nan 0.000 0.571 248 I N -0.023 120.579 120.570 0.054 0.000 2.226 248 I HA -0.138 4.032 4.170 0.001 0.000 0.245 248 I C 3.028 179.169 176.117 0.041 0.000 1.100 248 I CA 1.025 62.360 61.300 0.059 0.000 1.374 248 I CB -0.181 37.900 38.000 0.135 0.000 1.057 248 I HN 0.111 nan 8.210 nan 0.000 0.413 249 R N 0.344 120.886 120.500 0.070 0.000 2.148 249 R HA -0.109 4.231 4.340 0.001 0.000 0.223 249 R C 1.743 178.057 176.300 0.023 0.000 1.088 249 R CA 1.000 57.139 56.100 0.064 0.000 0.985 249 R CB -0.217 30.130 30.300 0.079 0.000 0.880 249 R HN 0.309 nan 8.270 nan 0.000 0.451 250 D N 0.146 120.557 120.400 0.018 0.000 2.117 250 D HA -0.070 4.571 4.640 0.001 0.000 0.198 250 D C 1.828 178.118 176.300 -0.017 0.000 0.982 250 D CA 1.216 55.219 54.000 0.005 0.000 0.828 250 D CB -0.086 40.722 40.800 0.012 0.000 0.967 250 D HN -0.006 nan 8.370 nan 0.000 0.464 251 S N 0.469 116.153 115.700 -0.027 0.000 2.370 251 S HA -0.113 4.358 4.470 0.001 0.000 0.226 251 S C 2.044 176.594 174.600 -0.084 0.000 1.033 251 S CA 0.508 58.676 58.200 -0.054 0.000 1.011 251 S CB -0.037 63.123 63.200 -0.067 0.000 0.852 251 S HN 0.249 nan 8.310 nan 0.000 0.457 252 I N 1.577 122.086 120.570 -0.101 0.000 2.226 252 I HA -0.155 4.015 4.170 0.001 0.000 0.245 252 I C 2.412 178.483 176.117 -0.076 0.000 1.100 252 I CA 1.400 62.631 61.300 -0.115 0.000 1.374 252 I CB -0.930 37.008 38.000 -0.103 0.000 1.057 252 I HN 0.304 nan 8.210 nan 0.000 0.413 253 K N 0.765 121.140 120.400 -0.041 0.000 2.026 253 K HA -0.191 4.129 4.320 0.001 0.000 0.208 253 K C 1.722 178.280 176.600 -0.069 0.000 1.048 253 K CA 1.649 57.913 56.287 -0.039 0.000 0.929 253 K CB 0.079 32.573 32.500 -0.009 0.000 0.713 253 K HN 0.232 nan 8.250 nan 0.000 0.439 254 D N 0.424 120.789 120.400 -0.058 0.000 2.097 254 D HA -0.125 4.516 4.640 0.001 0.000 0.197 254 D C 1.931 178.186 176.300 -0.076 0.000 0.984 254 D CA 1.140 55.106 54.000 -0.057 0.000 0.826 254 D CB -0.054 40.723 40.800 -0.040 0.000 0.973 254 D HN 0.263 nan 8.370 nan 0.000 0.460 255 I N -0.100 120.418 120.570 -0.088 0.000 2.333 255 I HA -0.103 4.067 4.170 0.001 0.000 0.246 255 I C 1.983 178.018 176.117 -0.138 0.000 1.106 255 I CA 0.749 61.992 61.300 -0.094 0.000 1.411 255 I CB 0.176 38.125 38.000 -0.085 0.000 1.082 255 I HN -0.085 nan 8.210 nan 0.000 0.420 256 L N -0.605 120.496 121.223 -0.203 0.000 2.701 256 L HA 0.355 4.695 4.340 0.001 0.000 0.238 256 L C 1.558 178.068 176.870 -0.600 0.000 1.106 256 L CA 0.514 55.125 54.840 -0.382 0.000 0.898 256 L CB 0.269 42.100 42.059 -0.380 0.000 1.188 256 L HN 0.403 nan 8.230 nan 0.000 0.508 257 G N 0.018 108.607 108.800 -0.351 0.000 2.168 257 G HA2 -0.328 3.632 3.960 0.001 0.000 0.263 257 G HA3 -0.328 3.632 3.960 0.001 0.000 0.263 257 G C 0.068 174.865 174.900 -0.172 0.000 0.977 257 G CA -0.001 44.950 45.100 -0.249 0.000 0.659 257 G HN 0.373 nan 8.290 nan 0.000 0.533 258 Y N 1.702 122.032 120.300 0.050 0.000 2.335 258 Y HA 0.467 5.018 4.550 0.001 0.000 0.331 258 Y C 1.437 177.368 175.900 0.053 0.000 1.094 258 Y CA -0.209 57.939 58.100 0.080 0.000 1.253 258 Y CB 0.995 39.537 38.460 0.138 0.000 1.203 258 Y HN 0.228 nan 8.280 nan 0.000 0.508 259 T N -0.424 114.265 114.554 0.225 0.000 2.909 259 T HA 0.618 4.968 4.350 0.001 0.000 0.289 259 T C -0.023 174.737 174.700 0.101 0.000 1.005 259 T CA -0.731 61.436 62.100 0.111 0.000 1.084 259 T CB 1.459 70.353 68.868 0.043 0.000 0.975 259 T HN 0.718 nan 8.240 nan 0.000 0.509 260 T N -0.817 113.772 114.554 0.058 0.000 2.896 260 T HA 0.687 5.038 4.350 0.001 0.000 0.297 260 T C -0.593 174.111 174.700 0.007 0.000 1.108 260 T CA -0.926 61.199 62.100 0.041 0.000 1.004 260 T CB 1.734 70.644 68.868 0.071 0.000 1.159 260 T HN 0.594 nan 8.240 nan 0.000 0.499 261 S N 0.126 115.821 115.700 -0.007 0.000 2.503 261 S HA 0.747 5.217 4.470 0.001 0.000 0.301 261 S C -0.863 173.734 174.600 -0.004 0.000 1.087 261 S CA -0.726 57.476 58.200 0.004 0.000 1.042 261 S CB 1.116 64.327 63.200 0.018 0.000 1.043 261 S HN 1.044 nan 8.310 nan 0.000 0.489 262 C N 2.723 122.036 119.300 0.021 0.000 2.698 262 C HA 0.893 5.353 4.460 0.001 0.000 0.309 262 C C 0.178 175.192 174.990 0.041 0.000 1.186 262 C CA -0.224 58.800 59.018 0.009 0.000 1.474 262 C CB 0.373 28.118 27.740 0.009 0.000 2.020 262 C HN 0.968 nan 8.230 nan 0.000 0.474 263 G N 4.738 113.565 108.800 0.045 0.000 2.470 263 G HA2 0.690 4.650 3.960 0.001 0.000 0.320 263 G HA3 0.690 4.650 3.960 0.001 0.000 0.320 263 G C -1.674 173.238 174.900 0.020 0.000 1.245 263 G CA -0.354 44.760 45.100 0.024 0.000 0.935 263 G HN 0.757 nan 8.290 nan 0.000 0.476 264 L N 2.271 123.486 121.223 -0.013 0.000 2.333 264 L HA 0.762 5.102 4.340 0.001 0.000 0.280 264 L C 0.369 177.218 176.870 -0.033 0.000 1.004 264 L CA -0.200 54.644 54.840 0.006 0.000 0.820 264 L CB 2.200 44.282 42.059 0.038 0.000 1.247 264 L HN 0.826 nan 8.230 nan 0.000 0.416 265 S N -0.251 115.443 115.700 -0.010 0.000 2.703 265 S HA 0.281 4.752 4.470 0.001 0.000 0.273 265 S C 0.426 175.031 174.600 0.008 0.000 1.178 265 S CA 0.040 58.225 58.200 -0.025 0.000 0.838 265 S CB 0.940 64.099 63.200 -0.069 0.000 1.178 265 S HN 0.486 nan 8.310 nan 0.000 0.494 266 S N -0.397 115.308 115.700 0.008 0.000 2.562 266 S HA 0.297 4.767 4.470 0.001 0.000 0.221 266 S C 0.518 175.129 174.600 0.018 0.000 0.975 266 S CA 0.453 58.661 58.200 0.013 0.000 0.918 266 S CB -0.445 62.765 63.200 0.018 0.000 0.772 266 S HN 0.832 nan 8.310 nan 0.000 0.531 267 T N 1.146 115.714 114.554 0.023 0.000 2.912 267 T HA 0.387 4.737 4.350 0.001 0.000 0.299 267 T C 0.442 175.160 174.700 0.031 0.000 1.052 267 T CA -0.824 61.288 62.100 0.020 0.000 0.996 267 T CB 1.967 70.857 68.868 0.037 0.000 1.070 267 T HN 0.019 nan 8.240 nan 0.000 0.465 268 K N 1.658 122.039 120.400 -0.031 0.000 2.044 268 K HA -0.203 4.118 4.320 0.001 0.000 0.210 268 K C 1.935 178.607 176.600 0.119 0.000 1.049 268 K CA 1.815 58.063 56.287 -0.066 0.000 0.927 268 K CB -0.158 32.037 32.500 -0.509 0.000 0.713 268 K HN 0.475 nan 8.250 nan 0.000 0.443 269 N N 0.879 119.661 118.700 0.136 0.000 2.084 269 N HA -0.153 4.587 4.740 0.001 0.000 0.190 269 N C 1.633 177.244 175.510 0.168 0.000 1.030 269 N CA 1.205 54.393 53.050 0.229 0.000 0.849 269 N CB -0.061 38.591 38.487 0.275 0.000 1.012 269 N HN -0.088 nan 8.380 nan 0.000 0.423 270 V N -0.123 119.866 119.914 0.125 0.000 2.407 270 V HA -0.267 3.853 4.120 0.001 0.000 0.248 270 V C 2.506 178.599 176.094 -0.003 0.000 1.055 270 V CA 1.449 63.789 62.300 0.066 0.000 1.049 270 V CB -0.715 31.125 31.823 0.029 0.000 0.662 270 V HN 0.559 nan 8.190 nan 0.000 0.455 271 C N -0.320 119.001 119.300 0.036 0.000 2.403 271 C HA -0.217 4.243 4.460 0.001 0.000 0.277 271 C C 2.801 177.779 174.990 -0.019 0.000 1.248 271 C CA 1.670 60.721 59.018 0.056 0.000 1.762 271 C CB -0.906 26.961 27.740 0.212 0.000 2.014 271 C HN 0.580 nan 8.230 nan 0.000 0.486 272 K N 0.377 120.695 120.400 -0.137 0.000 2.057 272 K HA -0.066 4.254 4.320 0.001 0.000 0.206 272 K C 1.832 178.296 176.600 -0.227 0.000 1.050 272 K CA 1.215 57.201 56.287 -0.501 0.000 0.935 272 K CB -0.172 31.968 32.500 -0.600 0.000 0.715 272 K HN 0.463 nan 8.250 nan 0.000 0.439 273 L N 0.001 121.162 121.223 -0.105 0.000 2.056 273 L HA -0.106 4.234 4.340 0.001 0.000 0.207 273 L C 2.567 179.567 176.870 0.218 0.000 1.078 273 L CA 1.190 56.002 54.840 -0.045 0.000 0.749 273 L CB -0.595 41.215 42.059 -0.416 0.000 0.901 273 L HN 0.224 nan 8.230 nan 0.000 0.433 274 A N 0.461 123.367 122.820 0.143 0.000 1.930 274 A HA -0.204 4.116 4.320 0.001 0.000 0.217 274 A C 2.568 180.249 177.584 0.161 0.000 1.175 274 A CA 1.916 54.010 52.037 0.095 0.000 0.627 274 A CB -0.692 18.172 19.000 -0.226 0.000 0.815 274 A HN 0.521 nan 8.150 nan 0.000 0.443 275 S N 0.336 116.110 115.700 0.122 0.000 2.368 275 S HA -0.203 4.267 4.470 0.001 0.000 0.225 275 S C 1.677 176.371 174.600 0.157 0.000 1.030 275 S CA 1.601 59.890 58.200 0.148 0.000 0.999 275 S CB -0.676 62.678 63.200 0.257 0.000 0.844 275 S HN 0.538 nan 8.310 nan 0.000 0.459 276 N N 0.172 118.967 118.700 0.159 0.000 2.550 276 N HA -0.002 4.738 4.740 0.001 0.000 0.186 276 N C 1.196 176.837 175.510 0.220 0.000 1.110 276 N CA 0.466 53.609 53.050 0.156 0.000 0.912 276 N CB -0.555 37.998 38.487 0.111 0.000 0.968 276 N HN 0.628 nan 8.380 nan 0.000 0.448 277 Y N 0.436 120.835 120.300 0.165 0.000 2.263 277 Y HA 0.087 4.638 4.550 0.001 0.000 0.292 277 Y C 0.492 176.468 175.900 0.126 0.000 1.130 277 Y CA 1.043 59.258 58.100 0.191 0.000 1.179 277 Y CB 0.231 38.880 38.460 0.314 0.000 0.998 277 Y HN -0.143 nan 8.280 nan 0.000 0.532 278 K N 1.294 121.789 120.400 0.159 0.000 2.507 278 K HA 0.384 4.704 4.320 0.001 0.000 0.252 278 K C -1.670 174.954 176.600 0.040 0.000 0.943 278 K CA -0.627 55.686 56.287 0.045 0.000 0.808 278 K CB 1.102 33.675 32.500 0.123 0.000 1.142 278 K HN -0.029 nan 8.250 nan 0.000 0.426 279 K N 3.825 124.222 120.400 -0.006 0.000 2.477 279 K HA 0.524 4.845 4.320 0.001 0.000 0.255 279 K C -2.595 173.875 176.600 -0.218 0.000 0.952 279 K CA -1.812 54.422 56.287 -0.090 0.000 0.826 279 K CB 2.081 34.594 32.500 0.022 0.000 1.331 279 K HN 0.435 nan 8.250 nan 0.000 0.437 280 P HA 0.210 nan 4.420 nan 0.000 0.289 280 P C -0.796 176.364 177.300 -0.233 0.000 1.300 280 P CA -0.276 62.505 63.100 -0.531 0.000 0.828 280 P CB 0.425 31.564 31.700 -0.935 0.000 1.235 281 D N -1.855 118.455 120.400 -0.150 0.000 2.737 281 D HA -0.113 4.527 4.640 0.001 0.000 0.238 281 D C -0.986 175.295 176.300 -0.033 0.000 1.157 281 D CA 1.181 55.142 54.000 -0.065 0.000 0.694 281 D CB -1.380 39.383 40.800 -0.062 0.000 1.021 281 D HN 0.680 nan 8.370 nan 0.000 0.420 282 A N 1.166 123.979 122.820 -0.013 0.000 2.566 282 A HA 0.802 5.122 4.320 0.001 0.000 0.292 282 A C -0.832 176.778 177.584 0.044 0.000 1.112 282 A CA -0.583 51.467 52.037 0.022 0.000 0.707 282 A CB 1.845 20.864 19.000 0.032 0.000 1.302 282 A HN 0.187 nan 8.150 nan 0.000 0.409 283 Q N 0.386 120.224 119.800 0.063 0.000 2.269 283 Q HA 0.546 4.886 4.340 0.001 0.000 0.263 283 Q C -1.555 174.492 176.000 0.078 0.000 0.983 283 Q CA -0.241 55.602 55.803 0.065 0.000 0.777 283 Q CB 1.917 30.692 28.738 0.061 0.000 1.273 283 Q HN 0.718 nan 8.270 nan 0.000 0.440 284 T N 4.428 119.026 114.554 0.073 0.000 2.797 284 T HA 0.594 4.945 4.350 0.001 0.000 0.279 284 T C -0.457 174.216 174.700 -0.045 0.000 0.991 284 T CA -0.327 61.803 62.100 0.049 0.000 0.979 284 T CB 0.586 69.513 68.868 0.099 0.000 0.943 284 T HN 0.465 nan 8.240 nan 0.000 0.444 285 I N 2.711 123.234 120.570 -0.078 0.000 2.436 285 I HA 0.444 4.614 4.170 0.001 0.000 0.289 285 I C -0.668 175.325 176.117 -0.207 0.000 1.010 285 I CA -0.975 60.257 61.300 -0.113 0.000 1.098 285 I CB 2.039 39.996 38.000 -0.071 0.000 1.266 285 I HN 0.284 nan 8.210 nan 0.000 0.434 286 V N 6.484 126.244 119.914 -0.256 0.000 2.304 286 V HA 0.302 4.423 4.120 0.001 0.000 0.278 286 V C 0.176 176.185 176.094 -0.141 0.000 1.018 286 V CA -0.939 61.182 62.300 -0.298 0.000 0.814 286 V CB 0.926 32.386 31.823 -0.604 0.000 1.021 286 V HN 0.635 nan 8.190 nan 0.000 0.440 287 K N 2.762 123.108 120.400 -0.090 0.000 2.319 287 K HA 0.154 4.474 4.320 0.001 0.000 0.265 287 K C 1.168 177.778 176.600 0.018 0.000 1.000 287 K CA 0.123 56.399 56.287 -0.019 0.000 0.943 287 K CB 0.642 33.130 32.500 -0.021 0.000 0.950 287 K HN 0.582 nan 8.250 nan 0.000 0.485 288 N N 1.231 119.964 118.700 0.055 0.000 2.094 288 N HA -0.197 4.543 4.740 0.001 0.000 0.191 288 N C 0.461 176.016 175.510 0.075 0.000 1.023 288 N CA 1.229 54.326 53.050 0.078 0.000 0.857 288 N CB 0.023 38.590 38.487 0.132 0.000 1.013 288 N HN 0.484 nan 8.380 nan 0.000 0.426 289 D N -0.439 120.003 120.400 0.071 0.000 2.371 289 D HA 0.011 4.652 4.640 0.001 0.000 0.221 289 D C 0.638 176.978 176.300 0.068 0.000 0.986 289 D CA 0.587 54.623 54.000 0.060 0.000 0.899 289 D CB -0.057 40.771 40.800 0.047 0.000 0.902 289 D HN 0.403 nan 8.370 nan 0.000 0.530 290 C N -0.160 119.190 119.300 0.083 0.000 3.243 290 C HA 0.293 4.754 4.460 0.001 0.000 0.286 290 C C 2.437 177.535 174.990 0.180 0.000 1.373 290 C CA -0.555 58.552 59.018 0.148 0.000 1.749 290 C CB -0.785 27.064 27.740 0.182 0.000 2.313 290 C HN 0.295 nan 8.230 nan 0.000 0.644 291 L N 0.687 121.980 121.223 0.118 0.000 2.042 291 L HA -0.179 4.161 4.340 0.001 0.000 0.210 291 L C 2.423 179.391 176.870 0.164 0.000 1.076 291 L CA 1.771 56.688 54.840 0.128 0.000 0.749 291 L CB -0.439 41.673 42.059 0.089 0.000 0.893 291 L HN 0.399 nan 8.230 nan 0.000 0.432 292 L N -0.993 120.307 121.223 0.129 0.000 2.109 292 L HA -0.156 4.185 4.340 0.001 0.000 0.207 292 L C 2.201 179.160 176.870 0.149 0.000 1.086 292 L CA 0.796 55.704 54.840 0.113 0.000 0.760 292 L CB -0.799 41.302 42.059 0.070 0.000 0.910 292 L HN 0.278 nan 8.230 nan 0.000 0.437 293 D N 0.238 120.759 120.400 0.202 0.000 2.149 293 D HA -0.222 4.418 4.640 0.001 0.000 0.198 293 D C 1.944 178.491 176.300 0.412 0.000 0.990 293 D CA 1.422 55.599 54.000 0.296 0.000 0.839 293 D CB -0.160 40.845 40.800 0.341 0.000 0.948 293 D HN 0.256 nan 8.370 nan 0.000 0.460 294 F N 1.244 121.270 119.950 0.126 0.000 2.098 294 F HA -0.109 4.418 4.527 0.000 0.000 0.294 294 F C 2.017 177.801 175.800 -0.026 0.000 1.107 294 F CA 0.587 58.374 58.000 -0.355 0.000 1.234 294 F CB -0.223 38.415 39.000 -0.602 0.000 1.002 294 F HN -0.197 nan 8.300 nan 0.000 0.472 295 L N 0.459 121.696 121.223 0.024 0.000 2.129 295 L HA -0.225 4.115 4.340 0.001 0.000 0.212 295 L C 1.356 178.274 176.870 0.079 0.000 1.087 295 L CA 1.699 56.555 54.840 0.025 0.000 0.757 295 L CB -1.274 40.847 42.059 0.104 0.000 0.896 295 L HN 0.193 nan 8.230 nan 0.000 0.434 296 D N -2.412 118.020 120.400 0.053 0.000 2.369 296 D HA 0.031 4.671 4.640 0.001 0.000 0.211 296 D C 2.102 178.408 176.300 0.009 0.000 1.077 296 D CA 0.537 54.557 54.000 0.034 0.000 0.842 296 D CB -0.219 40.610 40.800 0.048 0.000 0.947 296 D HN 0.447 nan 8.370 nan 0.000 0.509 297 C N -0.398 118.896 119.300 -0.010 0.000 2.401 297 C HA 0.190 4.650 4.460 0.001 0.000 0.286 297 C C 1.996 176.941 174.990 -0.075 0.000 1.332 297 C CA 0.764 59.800 59.018 0.030 0.000 1.795 297 C CB -0.954 26.835 27.740 0.083 0.000 1.922 297 C HN 0.427 nan 8.230 nan 0.000 0.520 298 G N 0.095 108.788 108.800 -0.177 0.000 2.253 298 G HA2 -0.187 3.773 3.960 0.001 0.000 0.209 298 G HA3 -0.187 3.773 3.960 0.001 0.000 0.209 298 G C 0.895 175.618 174.900 -0.294 0.000 0.997 298 G CA 0.252 45.245 45.100 -0.178 0.000 0.640 298 G HN 0.441 nan 8.290 nan 0.000 0.496 299 K N -0.062 120.004 120.400 -0.557 0.000 2.288 299 K HA 0.195 4.515 4.320 0.001 0.000 0.201 299 K C 0.541 176.732 176.600 -0.683 0.000 1.048 299 K CA 0.676 56.522 56.287 -0.736 0.000 0.956 299 K CB -0.019 31.806 32.500 -1.126 0.000 0.746 299 K HN 0.482 nan 8.250 nan 0.000 0.461 300 F N 0.968 120.796 119.950 -0.203 0.000 2.538 300 F HA 0.340 4.868 4.527 0.001 0.000 0.325 300 F C 0.696 176.366 175.800 -0.217 0.000 1.066 300 F CA -1.183 56.664 58.000 -0.255 0.000 0.946 300 F CB 1.510 40.273 39.000 -0.395 0.000 1.199 300 F HN -0.262 nan 8.300 nan 0.000 0.473 301 E N 0.708 120.899 120.200 -0.016 0.000 2.423 301 E HA 0.262 4.612 4.350 0.001 0.000 0.269 301 E C 0.577 177.117 176.600 -0.100 0.000 0.948 301 E CA -0.770 55.608 56.400 -0.037 0.000 0.802 301 E CB 2.027 31.723 29.700 -0.007 0.000 1.339 301 E HN 0.551 nan 8.360 nan 0.000 0.445 302 I N 1.497 122.086 120.570 0.032 0.000 2.335 302 I HA -0.244 3.926 4.170 0.001 0.000 0.251 302 I C 1.992 178.203 176.117 0.157 0.000 1.129 302 I CA 2.181 63.588 61.300 0.179 0.000 1.402 302 I CB -0.491 37.648 38.000 0.232 0.000 1.069 302 I HN 0.656 nan 8.210 nan 0.000 0.424 303 T N -3.598 111.001 114.554 0.076 0.000 3.113 303 T HA -0.007 4.344 4.350 0.001 0.000 0.263 303 T C 1.939 176.674 174.700 0.057 0.000 1.143 303 T CA 1.098 63.249 62.100 0.085 0.000 1.090 303 T CB -0.519 68.389 68.868 0.067 0.000 0.922 303 T HN 0.233 nan 8.240 nan 0.000 0.521 304 S N 0.599 116.270 115.700 -0.049 0.000 2.402 304 S HA 0.217 4.687 4.470 0.001 0.000 0.229 304 S C 0.416 174.975 174.600 -0.069 0.000 1.021 304 S CA 0.142 58.287 58.200 -0.092 0.000 0.974 304 S CB -0.466 62.633 63.200 -0.167 0.000 0.800 304 S HN 0.614 nan 8.310 nan 0.000 0.484 305 F N 0.750 120.744 119.950 0.073 0.000 2.553 305 F HA 0.030 4.558 4.527 0.001 0.000 0.356 305 F C 0.708 176.647 175.800 0.232 0.000 1.142 305 F CA -0.720 57.342 58.000 0.103 0.000 1.322 305 F CB 0.325 39.364 39.000 0.066 0.000 1.126 305 F HN 0.282 nan 8.300 nan 0.000 0.599 306 W N 4.077 125.523 121.300 0.243 0.000 2.322 306 W HA 0.127 4.788 4.660 0.002 0.000 0.328 306 W C 0.985 177.577 176.519 0.122 0.000 1.395 306 W CA 0.509 57.941 57.345 0.145 0.000 1.267 306 W CB 0.596 30.140 29.460 0.141 0.000 1.259 306 W HN 0.861 nan 8.180 nan 0.000 0.560 307 T N 1.676 116.227 114.554 -0.005 0.000 6.424 307 T HA -0.306 4.044 4.350 0.001 0.000 0.279 307 T C -0.011 174.675 174.700 -0.023 0.000 2.176 307 T CA 1.125 63.087 62.100 -0.231 0.000 3.628 307 T CB -1.474 67.203 68.868 -0.320 0.000 1.165 307 T HN 0.399 nan 8.240 nan 0.000 1.080 308 L N 0.819 122.110 121.223 0.114 0.000 3.016 308 L HA 0.673 5.013 4.340 0.001 0.000 0.267 308 L C 2.156 179.109 176.870 0.137 0.000 1.182 308 L CA 0.901 55.814 54.840 0.121 0.000 0.997 308 L CB 0.417 42.585 42.059 0.182 0.000 1.354 308 L HN 0.527 nan 8.230 nan 0.000 0.569 309 G N -0.954 107.942 108.800 0.160 0.000 3.088 309 G HA2 0.330 4.291 3.960 0.001 0.000 0.212 309 G HA3 0.330 4.291 3.960 0.001 0.000 0.212 309 G C 0.739 175.701 174.900 0.104 0.000 1.173 309 G CA 0.569 45.754 45.100 0.142 0.000 0.779 309 G HN 0.412 nan 8.290 nan 0.000 0.540 310 G N -0.323 108.527 108.800 0.084 0.000 3.008 310 G HA2 0.370 4.330 3.960 0.001 0.000 0.181 310 G HA3 0.370 4.330 3.960 0.001 0.000 0.181 310 G C 1.416 176.345 174.900 0.048 0.000 1.309 310 G CA 0.457 45.594 45.100 0.061 0.000 1.009 310 G HN 0.419 nan 8.290 nan 0.000 0.584 311 V N -1.165 118.770 119.914 0.036 0.000 2.332 311 V HA -0.149 3.971 4.120 0.001 0.000 0.248 311 V C 2.632 178.748 176.094 0.036 0.000 1.055 311 V CA 2.107 64.426 62.300 0.031 0.000 1.038 311 V CB -1.027 30.809 31.823 0.021 0.000 0.651 311 V HN 0.413 nan 8.190 nan 0.000 0.450 312 L N 2.603 123.845 121.223 0.033 0.000 2.046 312 L HA 0.123 4.463 4.340 0.001 0.000 0.208 312 L C 2.454 179.354 176.870 0.050 0.000 1.077 312 L CA 2.346 57.208 54.840 0.035 0.000 0.747 312 L CB -1.512 40.557 42.059 0.017 0.000 0.896 312 L HN 0.339 nan 8.230 nan 0.000 0.432 313 G N -0.524 108.311 108.800 0.058 0.000 2.459 313 G HA2 -0.295 3.665 3.960 0.001 0.000 0.217 313 G HA3 -0.295 3.665 3.960 0.001 0.000 0.217 313 G C 1.670 176.614 174.900 0.075 0.000 1.183 313 G CA 0.950 46.097 45.100 0.077 0.000 0.776 313 G HN 0.450 nan 8.290 nan 0.000 0.552 314 K N 0.158 120.596 120.400 0.064 0.000 2.147 314 K HA -0.053 4.268 4.320 0.001 0.000 0.205 314 K C 2.347 178.986 176.600 0.064 0.000 1.049 314 K CA 1.092 57.415 56.287 0.060 0.000 0.936 314 K CB -0.115 32.413 32.500 0.048 0.000 0.722 314 K HN 0.433 nan 8.250 nan 0.000 0.446 315 E N 1.149 121.388 120.200 0.064 0.000 2.072 315 E HA -0.149 4.201 4.350 0.001 0.000 0.191 315 E C 1.995 178.650 176.600 0.091 0.000 0.985 315 E CA 0.677 57.122 56.400 0.075 0.000 0.801 315 E CB 0.073 29.818 29.700 0.076 0.000 0.750 315 E HN 0.230 nan 8.360 nan 0.000 0.452 316 L N 0.750 122.025 121.223 0.087 0.000 2.083 316 L HA -0.204 4.136 4.340 0.001 0.000 0.209 316 L C 2.483 179.425 176.870 0.120 0.000 1.083 316 L CA 0.752 55.650 54.840 0.096 0.000 0.752 316 L CB -0.345 41.764 42.059 0.083 0.000 0.899 316 L HN 0.264 nan 8.230 nan 0.000 0.433 317 I N 0.167 120.801 120.570 0.107 0.000 2.091 317 I HA -0.397 3.774 4.170 0.001 0.000 0.239 317 I C 2.231 178.414 176.117 0.109 0.000 1.061 317 I CA 2.093 63.456 61.300 0.104 0.000 1.317 317 I CB -0.357 37.693 38.000 0.084 0.000 1.031 317 I HN 0.340 nan 8.210 nan 0.000 0.401 318 D N 0.274 120.733 120.400 0.098 0.000 2.097 318 D HA -0.151 4.490 4.640 0.001 0.000 0.195 318 D C 2.145 178.521 176.300 0.127 0.000 0.989 318 D CA 1.148 55.207 54.000 0.099 0.000 0.827 318 D CB 0.121 40.970 40.800 0.081 0.000 0.966 318 D HN 0.041 nan 8.370 nan 0.000 0.456 319 V N 0.300 120.294 119.914 0.134 0.000 2.343 319 V HA -0.154 3.966 4.120 0.001 0.000 0.247 319 V C 1.946 178.167 176.094 0.212 0.000 1.051 319 V CA 1.219 63.600 62.300 0.136 0.000 1.036 319 V CB -0.331 31.554 31.823 0.102 0.000 0.654 319 V HN 0.335 nan 8.190 nan 0.000 0.451 320 L N -0.025 121.364 121.223 0.277 0.000 2.728 320 L HA 0.227 4.567 4.340 0.001 0.000 0.235 320 L C 0.172 177.297 176.870 0.424 0.000 1.197 320 L CA -0.072 55.063 54.840 0.492 0.000 0.992 320 L CB -0.515 41.786 42.059 0.404 0.000 1.263 320 L HN 0.372 nan 8.230 nan 0.000 0.484 321 D N 1.401 121.970 120.400 0.282 0.000 2.704 321 D HA -0.197 4.443 4.640 0.001 0.000 0.232 321 D C 0.011 176.351 176.300 0.066 0.000 1.183 321 D CA 0.755 54.861 54.000 0.177 0.000 0.647 321 D CB -0.907 40.019 40.800 0.210 0.000 1.013 321 D HN 0.355 nan 8.370 nan 0.000 0.415 322 L N 0.488 121.744 121.223 0.055 0.000 2.399 322 L HA 0.379 4.719 4.340 0.001 0.000 0.266 322 L C -1.319 175.476 176.870 -0.126 0.000 1.114 322 L CA -1.667 53.130 54.840 -0.073 0.000 0.804 322 L CB 0.451 42.557 42.059 0.079 0.000 1.146 322 L HN -0.121 nan 8.230 nan 0.000 0.451 323 P HA 0.019 nan 4.420 nan 0.000 0.272 323 P C -0.048 177.221 177.300 -0.051 0.000 1.230 323 P CA -0.156 62.858 63.100 -0.143 0.000 0.788 323 P CB 0.388 31.949 31.700 -0.231 0.000 0.949 324 H N -0.539 118.503 119.070 -0.047 0.000 2.555 324 H HA 0.242 4.799 4.556 0.000 0.000 0.269 324 H C -0.187 175.128 175.328 -0.022 0.000 0.988 324 H CA 0.485 56.518 56.048 -0.024 0.000 1.178 324 H CB 0.559 30.309 29.762 -0.019 0.000 1.373 324 H HN 0.424 nan 8.280 nan 0.000 0.588 325 E N 0.836 120.736 120.200 -0.500 0.000 2.340 325 E HA 0.174 4.524 4.350 0.001 0.000 0.273 325 E C -0.298 176.182 176.600 -0.200 0.000 0.891 325 E CA -0.994 55.198 56.400 -0.347 0.000 0.757 325 E CB 1.516 30.945 29.700 -0.452 0.000 1.231 325 E HN 0.173 nan 8.360 nan 0.000 0.439 326 N N 1.018 119.651 118.700 -0.111 0.000 2.710 326 N HA -0.203 4.537 4.740 0.001 0.000 0.249 326 N C 0.907 176.422 175.510 0.009 0.000 1.059 326 N CA 1.106 54.130 53.050 -0.044 0.000 0.720 326 N CB -1.199 37.262 38.487 -0.043 0.000 0.983 326 N HN 0.543 nan 8.380 nan 0.000 0.544 327 S N -0.458 115.249 115.700 0.012 0.000 2.400 327 S HA -0.123 4.348 4.470 0.001 0.000 0.232 327 S C 1.865 176.559 174.600 0.157 0.000 1.025 327 S CA 1.101 59.351 58.200 0.083 0.000 0.993 327 S CB -0.140 63.105 63.200 0.075 0.000 0.808 327 S HN 0.502 nan 8.310 nan 0.000 0.478 328 I N 1.667 122.310 120.570 0.122 0.000 2.286 328 I HA -0.094 4.077 4.170 0.001 0.000 0.245 328 I C 2.746 178.934 176.117 0.118 0.000 1.104 328 I CA 1.270 62.666 61.300 0.160 0.000 1.397 328 I CB -0.305 37.793 38.000 0.164 0.000 1.072 328 I HN 0.263 nan 8.210 nan 0.000 0.417 329 K N 0.465 120.913 120.400 0.080 0.000 2.057 329 K HA -0.273 4.047 4.320 0.001 0.000 0.207 329 K C 2.410 179.025 176.600 0.025 0.000 1.049 329 K CA 1.467 57.778 56.287 0.040 0.000 0.931 329 K CB -0.309 32.206 32.500 0.025 0.000 0.714 329 K HN 0.371 nan 8.250 nan 0.000 0.440 330 H N 0.828 119.884 119.070 -0.024 0.000 2.321 330 H HA -0.178 4.378 4.556 0.000 0.000 0.295 330 H C 2.052 177.342 175.328 -0.063 0.000 1.102 330 H CA 2.345 58.355 56.048 -0.063 0.000 1.266 330 H CB -0.104 29.630 29.762 -0.048 0.000 1.363 330 H HN 0.238 nan 8.280 nan 0.000 0.492 331 I N 0.236 120.874 120.570 0.114 0.000 2.179 331 I HA -0.256 3.914 4.170 0.001 0.000 0.242 331 I C 3.065 179.267 176.117 0.142 0.000 1.088 331 I CA 1.084 62.541 61.300 0.263 0.000 1.357 331 I CB -0.357 37.835 38.000 0.320 0.000 1.051 331 I HN 0.175 nan 8.210 nan 0.000 0.409 332 R N 0.764 121.273 120.500 0.015 0.000 2.091 332 R HA -0.187 4.153 4.340 0.001 0.000 0.238 332 R C 2.104 178.348 176.300 -0.093 0.000 1.136 332 R CA 1.674 57.729 56.100 -0.074 0.000 0.959 332 R CB -0.001 30.249 30.300 -0.082 0.000 0.856 332 R HN 0.434 nan 8.270 nan 0.000 0.437 333 E N -1.482 118.620 120.200 -0.163 0.000 2.140 333 E HA -0.036 4.315 4.350 0.001 0.000 0.191 333 E C 1.740 178.125 176.600 -0.357 0.000 0.973 333 E CA 1.149 57.423 56.400 -0.210 0.000 0.829 333 E CB 0.286 29.869 29.700 -0.195 0.000 0.781 333 E HN 0.297 nan 8.360 nan 0.000 0.466 334 T N 0.226 114.383 114.554 -0.662 0.000 2.867 334 T HA -0.101 4.250 4.350 0.001 0.000 0.268 334 T C 0.299 174.337 174.700 -1.103 0.000 1.057 334 T CA 0.793 62.226 62.100 -1.113 0.000 1.136 334 T CB 0.019 67.731 68.868 -1.927 0.000 0.874 334 T HN 0.224 nan 8.240 nan 0.000 0.466 335 W N 1.304 122.534 121.300 -0.118 0.000 2.104 335 W HA 0.322 4.984 4.660 0.002 0.000 0.291 335 W C -2.669 173.925 176.519 0.125 0.000 0.936 335 W CA -2.330 55.017 57.345 0.004 0.000 1.856 335 W CB 0.408 29.892 29.460 0.039 0.000 2.036 335 W HN 0.180 nan 8.180 nan 0.000 0.393 336 P HA -0.069 nan 4.420 nan 0.000 0.224 336 P C 1.028 178.486 177.300 0.263 0.000 1.157 336 P CA 1.495 64.686 63.100 0.150 0.000 0.799 336 P CB 0.637 32.355 31.700 0.030 0.000 0.809 337 D N -0.790 119.762 120.400 0.252 0.000 2.323 337 D HA 0.050 4.691 4.640 0.001 0.000 0.218 337 D C 0.515 176.915 176.300 0.166 0.000 0.973 337 D CA 0.911 55.027 54.000 0.192 0.000 0.890 337 D CB 0.055 40.911 40.800 0.095 0.000 1.011 337 D HN 0.403 nan 8.370 nan 0.000 0.499 338 N N -1.856 116.853 118.700 0.016 0.000 3.127 338 N HA 0.372 5.112 4.740 0.001 0.000 0.239 338 N C 0.003 175.088 175.510 -0.708 0.000 1.407 338 N CA -0.401 52.338 53.050 -0.518 0.000 0.891 338 N CB 1.174 39.504 38.487 -0.261 0.000 1.447 338 N HN -0.191 nan 8.380 nan 0.000 0.507 339 A N 0.175 122.393 122.820 -1.003 0.000 1.969 339 A HA 0.124 4.444 4.320 0.001 0.000 0.218 339 A C 2.010 179.434 177.584 -0.267 0.000 1.169 339 A CA 1.848 53.546 52.037 -0.565 0.000 0.635 339 A CB -1.636 17.102 19.000 -0.436 0.000 0.810 339 A HN 0.850 nan 8.150 nan 0.000 0.445 340 G N -0.090 108.575 108.800 -0.226 0.000 2.574 340 G HA2 -0.383 3.578 3.960 0.001 0.000 0.220 340 G HA3 -0.383 3.578 3.960 0.001 0.000 0.220 340 G C 1.534 176.393 174.900 -0.068 0.000 1.173 340 G CA 1.255 46.282 45.100 -0.122 0.000 0.772 340 G HN 0.680 nan 8.290 nan 0.000 0.585 341 Q N -0.340 119.450 119.800 -0.016 0.000 2.152 341 Q HA 0.003 4.343 4.340 0.001 0.000 0.206 341 Q C 2.566 178.575 176.000 0.016 0.000 0.985 341 Q CA 1.001 56.874 55.803 0.116 0.000 0.863 341 Q CB -0.294 28.609 28.738 0.276 0.000 0.904 341 Q HN 0.487 nan 8.270 nan 0.000 0.422 342 L N 0.762 121.844 121.223 -0.234 0.000 2.109 342 L HA -0.144 4.196 4.340 0.001 0.000 0.207 342 L C 2.492 179.142 176.870 -0.366 0.000 1.086 342 L CA 1.094 55.511 54.840 -0.705 0.000 0.760 342 L CB -0.196 41.494 42.059 -0.615 0.000 0.910 342 L HN 0.210 nan 8.230 nan 0.000 0.437 343 K N -0.091 120.187 120.400 -0.204 0.000 2.009 343 K HA -0.238 4.083 4.320 0.001 0.000 0.210 343 K C 1.863 178.413 176.600 -0.082 0.000 1.049 343 K CA 1.632 57.839 56.287 -0.135 0.000 0.929 343 K CB 0.014 32.450 32.500 -0.107 0.000 0.714 343 K HN 0.256 nan 8.250 nan 0.000 0.440 344 E N 0.160 120.342 120.200 -0.031 0.000 2.097 344 E HA -0.221 4.130 4.350 0.001 0.000 0.196 344 E C 1.825 178.451 176.600 0.043 0.000 1.000 344 E CA 1.132 57.540 56.400 0.014 0.000 0.804 344 E CB -0.411 29.325 29.700 0.060 0.000 0.740 344 E HN 0.366 nan 8.360 nan 0.000 0.454 345 F N 0.997 120.906 119.950 -0.068 0.000 2.171 345 F HA -0.126 4.401 4.527 0.000 0.000 0.300 345 F C 2.208 177.961 175.800 -0.078 0.000 1.090 345 F CA 0.959 58.953 58.000 -0.010 0.000 1.293 345 F CB -0.143 38.901 39.000 0.073 0.000 1.013 345 F HN -0.069 nan 8.300 nan 0.000 0.486 346 L N -0.279 120.884 121.223 -0.100 0.000 2.072 346 L HA -0.203 4.137 4.340 0.001 0.000 0.205 346 L C 2.187 178.912 176.870 -0.241 0.000 1.079 346 L CA 1.261 55.988 54.840 -0.189 0.000 0.752 346 L CB -0.753 41.215 42.059 -0.151 0.000 0.906 346 L HN 0.030 nan 8.230 nan 0.000 0.436 347 D N 0.351 120.644 120.400 -0.178 0.000 2.127 347 D HA -0.269 4.372 4.640 0.001 0.000 0.190 347 D C 2.154 178.339 176.300 -0.191 0.000 1.000 347 D CA 1.835 55.739 54.000 -0.161 0.000 0.839 347 D CB -0.257 40.481 40.800 -0.104 0.000 0.955 347 D HN 0.366 nan 8.370 nan 0.000 0.446 348 A N 0.453 123.151 122.820 -0.204 0.000 1.883 348 A HA -0.218 4.102 4.320 0.001 0.000 0.217 348 A C 2.122 179.544 177.584 -0.270 0.000 1.186 348 A CA 2.067 53.977 52.037 -0.212 0.000 0.624 348 A CB -0.465 18.408 19.000 -0.211 0.000 0.822 348 A HN 0.073 nan 8.150 nan 0.000 0.444 349 K N -0.141 120.021 120.400 -0.395 0.000 2.097 349 K HA -0.111 4.209 4.320 0.001 0.000 0.206 349 K C 1.749 178.158 176.600 -0.319 0.000 1.049 349 K CA 1.593 57.662 56.287 -0.363 0.000 0.933 349 K CB -0.622 31.631 32.500 -0.412 0.000 0.717 349 K HN 0.488 nan 8.250 nan 0.000 0.442 350 V N -1.688 117.963 119.914 -0.437 0.000 3.141 350 V HA -0.057 4.064 4.120 0.001 0.000 0.265 350 V C 0.936 176.876 176.094 -0.258 0.000 1.126 350 V CA 1.229 63.116 62.300 -0.688 0.000 1.141 350 V CB -0.573 30.768 31.823 -0.805 0.000 0.743 350 V HN 0.129 nan 8.190 nan 0.000 0.492 351 K N 1.540 121.852 120.400 -0.148 0.000 2.446 351 K HA 0.230 4.550 4.320 0.001 0.000 0.203 351 K C 0.566 177.157 176.600 -0.015 0.000 1.027 351 K CA -0.079 56.178 56.287 -0.050 0.000 1.166 351 K CB 0.162 32.625 32.500 -0.061 0.000 0.869 351 K HN 0.844 nan 8.250 nan 0.000 0.504 352 Q N -0.543 119.258 119.800 0.002 0.000 2.351 352 Q HA 0.249 4.589 4.340 0.001 0.000 0.273 352 Q C 0.678 176.720 176.000 0.070 0.000 1.077 352 Q CA -0.458 55.358 55.803 0.022 0.000 0.843 352 Q CB 1.669 30.405 28.738 -0.003 0.000 1.367 352 Q HN 0.016 nan 8.270 nan 0.000 0.449 353 S N 1.406 117.134 115.700 0.047 0.000 2.400 353 S HA -0.252 4.218 4.470 0.001 0.000 0.232 353 S C 0.793 175.423 174.600 0.050 0.000 1.025 353 S CA 1.859 60.085 58.200 0.043 0.000 0.993 353 S CB -0.484 62.730 63.200 0.023 0.000 0.808 353 S HN 0.792 nan 8.310 nan 0.000 0.478 354 D N 0.281 120.716 120.400 0.059 0.000 2.191 354 D HA -0.142 4.498 4.640 0.001 0.000 0.195 354 D C 0.469 176.827 176.300 0.097 0.000 1.003 354 D CA 1.544 55.585 54.000 0.069 0.000 0.867 354 D CB -0.231 40.615 40.800 0.077 0.000 0.926 354 D HN 0.706 nan 8.370 nan 0.000 0.450 355 Y N 0.363 120.654 120.300 -0.015 0.000 2.313 355 Y HA 0.289 4.839 4.550 -0.000 0.000 0.332 355 Y C -0.911 174.980 175.900 -0.015 0.000 1.071 355 Y CA -0.805 57.285 58.100 -0.016 0.000 1.169 355 Y CB 1.113 39.557 38.460 -0.026 0.000 1.192 355 Y HN -0.277 nan 8.280 nan 0.000 0.487 356 D N 5.575 125.571 120.400 -0.672 0.000 2.469 356 D HA 0.269 4.909 4.640 0.001 0.000 0.251 356 D C 0.530 176.371 176.300 -0.764 0.000 1.173 356 D CA -0.421 53.265 54.000 -0.523 0.000 0.882 356 D CB 1.001 41.643 40.800 -0.263 0.000 1.129 356 D HN 0.707 nan 8.370 nan 0.000 0.549 357 R N 1.527 121.671 120.500 -0.594 0.000 2.139 357 R HA -0.150 4.190 4.340 0.001 0.000 0.243 357 R C 1.801 177.988 176.300 -0.188 0.000 1.145 357 R CA 1.056 56.974 56.100 -0.303 0.000 0.976 357 R CB -0.127 30.145 30.300 -0.048 0.000 0.866 357 R HN 0.390 nan 8.270 nan 0.000 0.449 358 S N 0.471 116.071 115.700 -0.166 0.000 2.368 358 S HA -0.164 4.306 4.470 0.001 0.000 0.226 358 S C 1.358 175.895 174.600 -0.106 0.000 1.044 358 S CA 2.007 60.142 58.200 -0.107 0.000 1.062 358 S CB -0.148 62.997 63.200 -0.092 0.000 0.931 358 S HN 0.536 nan 8.310 nan 0.000 0.440 359 T N -0.190 114.278 114.554 -0.144 0.000 3.427 359 T HA 0.604 4.954 4.350 0.001 0.000 0.306 359 T C -0.585 174.032 174.700 -0.137 0.000 1.733 359 T CA -0.213 61.822 62.100 -0.109 0.000 1.599 359 T CB 0.494 69.312 68.868 -0.083 0.000 0.964 359 T HN 0.226 nan 8.240 nan 0.000 0.701 360 S N 1.638 117.263 115.700 -0.125 0.000 2.547 360 S HA 0.476 4.947 4.470 0.001 0.000 0.281 360 S C -0.080 174.524 174.600 0.006 0.000 1.118 360 S CA -0.795 57.359 58.200 -0.076 0.000 0.947 360 S CB 1.277 64.375 63.200 -0.169 0.000 1.053 360 S HN 0.534 nan 8.310 nan 0.000 0.482 361 N N 2.572 121.296 118.700 0.039 0.000 2.280 361 N HA 0.344 5.084 4.740 0.001 0.000 0.192 361 N C -0.618 174.921 175.510 0.049 0.000 1.109 361 N CA 0.078 53.148 53.050 0.033 0.000 0.855 361 N CB 0.233 38.733 38.487 0.021 0.000 0.974 361 N HN 0.529 nan 8.380 nan 0.000 0.482 362 I N 0.595 121.224 120.570 0.099 0.000 2.336 362 I HA 0.169 4.339 4.170 0.001 0.000 0.292 362 I C -0.624 175.548 176.117 0.091 0.000 0.991 362 I CA -0.667 60.682 61.300 0.082 0.000 1.227 362 I CB 1.266 39.324 38.000 0.097 0.000 1.366 362 I HN -0.117 nan 8.210 nan 0.000 0.466 363 D N 8.665 129.084 120.400 0.032 0.000 2.443 363 D HA 0.226 4.867 4.640 0.001 0.000 0.221 363 D C -1.588 174.708 176.300 -0.006 0.000 1.097 363 D CA -1.658 52.358 54.000 0.026 0.000 0.865 363 D CB 1.341 42.146 40.800 0.007 0.000 1.034 363 D HN 0.206 nan 8.370 nan 0.000 0.511 364 P HA -0.167 nan 4.420 nan 0.000 0.219 364 P C 1.131 178.406 177.300 -0.042 0.000 1.145 364 P CA 1.017 64.087 63.100 -0.050 0.000 0.813 364 P CB 0.319 32.002 31.700 -0.027 0.000 0.771 365 L N -1.679 119.530 121.223 -0.023 0.000 2.209 365 L HA 0.003 4.343 4.340 0.001 0.000 0.207 365 L C 1.131 177.984 176.870 -0.030 0.000 1.094 365 L CA 1.022 55.848 54.840 -0.023 0.000 0.790 365 L CB -0.463 41.588 42.059 -0.013 0.000 0.932 365 L HN -0.144 nan 8.230 nan 0.000 0.447 366 K N -0.401 119.981 120.400 -0.031 0.000 2.805 366 K HA 0.186 4.506 4.320 0.001 0.000 0.227 366 K C 0.642 177.212 176.600 -0.050 0.000 1.207 366 K CA -0.119 56.147 56.287 -0.035 0.000 1.153 366 K CB 0.823 33.307 32.500 -0.027 0.000 1.688 366 K HN -0.131 nan 8.250 nan 0.000 0.467 367 T N -0.106 114.412 114.554 -0.060 0.000 3.039 367 T HA 0.065 4.416 4.350 0.001 0.000 0.250 367 T C 1.872 176.521 174.700 -0.085 0.000 1.052 367 T CA 0.884 62.935 62.100 -0.080 0.000 1.125 367 T CB 0.219 69.033 68.868 -0.090 0.000 0.908 367 T HN 0.449 nan 8.240 nan 0.000 0.473 368 A N 1.600 124.377 122.820 -0.072 0.000 1.877 368 A HA -0.124 4.197 4.320 0.001 0.000 0.216 368 A C 2.038 179.581 177.584 -0.069 0.000 1.186 368 A CA 2.026 54.019 52.037 -0.072 0.000 0.620 368 A CB -0.684 18.282 19.000 -0.056 0.000 0.822 368 A HN 0.384 nan 8.150 nan 0.000 0.443 369 D N -0.644 119.724 120.400 -0.054 0.000 2.117 369 D HA -0.109 4.531 4.640 0.001 0.000 0.198 369 D C 1.830 178.085 176.300 -0.074 0.000 0.982 369 D CA 1.279 55.254 54.000 -0.042 0.000 0.828 369 D CB -0.325 40.459 40.800 -0.026 0.000 0.967 369 D HN 0.364 nan 8.370 nan 0.000 0.464 370 L N 0.378 121.548 121.223 -0.089 0.000 2.156 370 L HA 0.073 4.413 4.340 0.001 0.000 0.208 370 L C 1.928 178.717 176.870 -0.134 0.000 1.095 370 L CA 1.461 56.232 54.840 -0.116 0.000 0.770 370 L CB -0.558 41.442 42.059 -0.098 0.000 0.914 370 L HN -0.050 nan 8.230 nan 0.000 0.439 371 A N -0.971 121.774 122.820 -0.126 0.000 1.930 371 A HA -0.152 4.169 4.320 0.001 0.000 0.215 371 A C 2.317 179.844 177.584 -0.094 0.000 1.176 371 A CA 1.329 53.281 52.037 -0.142 0.000 0.632 371 A CB -0.587 18.314 19.000 -0.165 0.000 0.819 371 A HN 0.561 nan 8.150 nan 0.000 0.445 372 E N 0.106 120.256 120.200 -0.083 0.000 2.047 372 E HA -0.238 4.113 4.350 0.001 0.000 0.191 372 E C 2.075 178.667 176.600 -0.014 0.000 0.987 372 E CA 1.475 57.855 56.400 -0.032 0.000 0.799 372 E CB -0.151 29.537 29.700 -0.020 0.000 0.752 372 E HN 0.608 nan 8.360 nan 0.000 0.449 373 K N 0.481 120.795 120.400 -0.144 0.000 2.103 373 K HA -0.173 4.148 4.320 0.001 0.000 0.207 373 K C 2.230 178.597 176.600 -0.390 0.000 1.048 373 K CA 1.248 57.266 56.287 -0.448 0.000 0.930 373 K CB -0.101 32.051 32.500 -0.580 0.000 0.716 373 K HN 0.158 nan 8.250 nan 0.000 0.444 374 L N -0.125 120.972 121.223 -0.210 0.000 2.109 374 L HA -0.086 4.255 4.340 0.001 0.000 0.207 374 L C 2.332 179.172 176.870 -0.049 0.000 1.086 374 L CA 0.753 55.498 54.840 -0.158 0.000 0.760 374 L CB -0.387 41.610 42.059 -0.102 0.000 0.910 374 L HN 0.183 nan 8.230 nan 0.000 0.437 375 F N 1.097 120.975 119.950 -0.119 0.000 2.069 375 F HA -0.278 4.250 4.527 0.001 0.000 0.298 375 F C 2.499 178.277 175.800 -0.037 0.000 1.113 375 F CA 1.795 59.770 58.000 -0.042 0.000 1.214 375 F CB -0.059 38.923 39.000 -0.030 0.000 0.978 375 F HN -0.144 nan 8.300 nan 0.000 0.474 376 K N 0.129 120.616 120.400 0.145 0.000 2.057 376 K HA -0.136 4.185 4.320 0.001 0.000 0.206 376 K C 2.148 178.716 176.600 -0.053 0.000 1.050 376 K CA 1.586 57.922 56.287 0.082 0.000 0.935 376 K CB -0.470 32.162 32.500 0.220 0.000 0.715 376 K HN 0.329 nan 8.250 nan 0.000 0.439 377 L N 1.273 122.370 121.223 -0.211 0.000 2.079 377 L HA -0.213 4.127 4.340 0.001 0.000 0.210 377 L C 2.492 179.167 176.870 -0.325 0.000 1.081 377 L CA 1.496 56.061 54.840 -0.458 0.000 0.752 377 L CB -0.512 40.993 42.059 -0.922 0.000 0.896 377 L HN 0.303 nan 8.230 nan 0.000 0.433 378 S N -0.796 114.801 115.700 -0.171 0.000 2.489 378 S HA -0.098 4.373 4.470 0.001 0.000 0.228 378 S C 1.756 176.342 174.600 -0.025 0.000 0.995 378 S CA 0.342 58.535 58.200 -0.013 0.000 0.934 378 S CB -0.121 63.059 63.200 -0.033 0.000 0.771 378 S HN 0.416 nan 8.310 nan 0.000 0.522 379 R N 0.424 120.872 120.500 -0.087 0.000 2.432 379 R HA 0.356 4.697 4.340 0.001 0.000 0.260 379 R C 1.125 177.434 176.300 0.015 0.000 0.935 379 R CA 0.333 56.398 56.100 -0.060 0.000 1.080 379 R CB 0.321 30.537 30.300 -0.139 0.000 1.155 379 R HN 0.470 nan 8.270 nan 0.000 0.531 380 G N 1.977 110.802 108.800 0.041 0.000 2.221 380 G HA2 -0.308 3.653 3.960 0.001 0.000 0.265 380 G HA3 -0.308 3.653 3.960 0.001 0.000 0.265 380 G C 0.448 175.387 174.900 0.066 0.000 1.041 380 G CA 0.117 45.263 45.100 0.077 0.000 0.807 380 G HN 0.332 nan 8.290 nan 0.000 0.502 381 R N -1.118 119.421 120.500 0.066 0.000 2.600 381 R HA 0.138 4.479 4.340 0.001 0.000 0.392 381 R C -0.154 176.225 176.300 0.130 0.000 1.032 381 R CA -0.563 55.588 56.100 0.085 0.000 1.139 381 R CB 0.692 31.041 30.300 0.082 0.000 1.400 381 R HN 0.366 nan 8.270 nan 0.000 0.566 382 Y N 1.755 122.037 120.300 -0.029 0.000 2.613 382 Y HA 0.334 4.884 4.550 -0.000 0.000 0.354 382 Y C 0.405 176.303 175.900 -0.003 0.000 1.063 382 Y CA -0.939 57.143 58.100 -0.030 0.000 1.384 382 Y CB 0.564 38.967 38.460 -0.096 0.000 1.199 382 Y HN 0.084 nan 8.280 nan 0.000 0.517 383 G N 7.654 116.308 108.800 -0.244 0.000 2.393 383 G HA2 0.412 4.372 3.960 0.001 0.000 0.311 383 G HA3 0.412 4.372 3.960 0.001 0.000 0.311 383 G C -0.853 173.858 174.900 -0.316 0.000 1.067 383 G CA -0.589 44.406 45.100 -0.175 0.000 1.000 383 G HN 0.643 nan 8.290 nan 0.000 0.422 384 L N 4.406 125.403 121.223 -0.377 0.000 2.343 384 L HA 0.442 4.783 4.340 0.001 0.000 0.275 384 L C -1.704 174.900 176.870 -0.444 0.000 1.056 384 L CA -2.057 52.534 54.840 -0.416 0.000 0.804 384 L CB 2.658 44.486 42.059 -0.385 0.000 1.203 384 L HN 0.354 nan 8.230 nan 0.000 0.440 385 P HA 0.150 nan 4.420 nan 0.000 0.276 385 P C -0.838 176.160 177.300 -0.505 0.000 1.244 385 P CA -0.633 61.832 63.100 -1.058 0.000 0.801 385 P CB 0.864 31.754 31.700 -1.350 0.000 1.006 386 L N 1.692 122.706 121.223 -0.348 0.000 2.455 386 L HA 0.196 4.536 4.340 0.001 0.000 0.272 386 L C 0.992 177.770 176.870 -0.154 0.000 1.174 386 L CA 1.286 56.014 54.840 -0.188 0.000 0.869 386 L CB -0.153 41.860 42.059 -0.077 0.000 1.130 386 L HN 0.505 nan 8.230 nan 0.000 0.474 387 S N 0.816 116.462 115.700 -0.091 0.000 2.549 387 S HA 0.663 5.134 4.470 0.001 0.000 0.280 387 S C -0.465 174.136 174.600 0.002 0.000 1.109 387 S CA -0.943 57.221 58.200 -0.061 0.000 0.905 387 S CB 1.586 64.736 63.200 -0.083 0.000 1.081 387 S HN 0.381 nan 8.310 nan 0.000 0.477 388 S N 1.594 117.303 115.700 0.014 0.000 2.565 388 S HA 0.346 4.816 4.470 0.001 0.000 0.276 388 S C 0.356 174.986 174.600 0.051 0.000 1.326 388 S CA -0.687 57.541 58.200 0.048 0.000 1.045 388 S CB 0.351 63.590 63.200 0.065 0.000 0.918 388 S HN 0.709 nan 8.310 nan 0.000 0.505 389 R N 2.756 123.299 120.500 0.071 0.000 2.543 389 R HA 0.197 4.538 4.340 0.001 0.000 0.277 389 R C -2.266 174.082 176.300 0.080 0.000 1.074 389 R CA -1.284 54.858 56.100 0.070 0.000 1.076 389 R CB -0.004 30.341 30.300 0.076 0.000 0.993 389 R HN 0.356 nan 8.270 nan 0.000 0.459 390 P HA -0.058 nan 4.420 nan 0.000 0.268 390 P C -0.192 177.146 177.300 0.063 0.000 1.205 390 P CA -0.235 62.890 63.100 0.042 0.000 0.771 390 P CB 0.725 32.437 31.700 0.021 0.000 0.858 391 V N 3.870 123.805 119.914 0.035 0.000 3.139 391 V HA -0.021 4.100 4.120 0.001 0.000 0.307 391 V C 0.427 176.517 176.094 -0.007 0.000 1.095 391 V CA -0.341 61.973 62.300 0.024 0.000 1.160 391 V CB 1.400 33.107 31.823 -0.192 0.000 1.003 391 V HN 0.416 nan 8.190 nan 0.000 0.489 392 V N 7.121 127.002 119.914 -0.055 0.000 2.572 392 V HA 0.228 4.349 4.120 0.001 0.000 0.291 392 V C 1.179 177.222 176.094 -0.085 0.000 1.039 392 V CA 0.097 62.329 62.300 -0.113 0.000 1.055 392 V CB 1.106 32.792 31.823 -0.228 0.000 0.969 392 V HN 1.062 nan 8.190 nan 0.000 0.482 393 K N 3.846 124.280 120.400 0.057 0.000 2.202 393 K HA 0.164 4.484 4.320 0.001 0.000 0.201 393 K C 0.520 177.327 176.600 0.345 0.000 1.051 393 K CA 0.962 57.359 56.287 0.184 0.000 0.977 393 K CB 0.295 32.865 32.500 0.117 0.000 0.792 393 K HN 0.786 nan 8.250 nan 0.000 0.469 394 S N -0.114 115.753 115.700 0.278 0.000 2.579 394 S HA 0.658 5.128 4.470 0.001 0.000 0.272 394 S C -0.754 174.000 174.600 0.255 0.000 1.141 394 S CA -1.027 57.375 58.200 0.336 0.000 0.843 394 S CB 2.102 65.408 63.200 0.177 0.000 1.122 394 S HN 0.014 nan 8.310 nan 0.000 0.468 395 M N 2.631 122.397 119.600 0.277 0.000 2.386 395 M HA 0.542 5.022 4.480 0.001 0.000 0.293 395 M C -1.139 175.232 176.300 0.118 0.000 1.120 395 M CA -0.440 54.969 55.300 0.182 0.000 0.909 395 M CB 2.489 35.224 32.600 0.226 0.000 1.661 395 M HN 0.917 nan 8.290 nan 0.000 0.452 396 M N 1.854 121.490 119.600 0.060 0.000 2.446 396 M HA 0.598 5.078 4.480 0.001 0.000 0.294 396 M C -1.818 174.446 176.300 -0.059 0.000 1.158 396 M CA -0.211 55.087 55.300 -0.002 0.000 0.899 396 M CB 2.531 35.121 32.600 -0.016 0.000 1.687 396 M HN 0.641 nan 8.290 nan 0.000 0.455 397 S N 3.059 118.653 115.700 -0.177 0.000 2.532 397 S HA 0.666 5.137 4.470 0.001 0.000 0.299 397 S C -1.403 172.704 174.600 -0.821 0.000 1.105 397 S CA -0.628 57.364 58.200 -0.348 0.000 1.018 397 S CB 1.287 64.349 63.200 -0.229 0.000 1.021 397 S HN 0.883 nan 8.310 nan 0.000 0.483 398 N N 2.397 120.691 118.700 -0.677 0.000 2.329 398 N HA 0.638 5.379 4.740 0.001 0.000 0.282 398 N C -1.794 173.504 175.510 -0.353 0.000 1.198 398 N CA -0.659 52.032 53.050 -0.599 0.000 0.790 398 N CB 1.430 39.759 38.487 -0.264 0.000 1.579 398 N HN 0.367 nan 8.380 nan 0.000 0.475 399 K N 1.236 121.515 120.400 -0.202 0.000 2.471 399 K HA 0.438 4.759 4.320 0.001 0.000 0.252 399 K C -1.670 174.814 176.600 -0.192 0.000 0.938 399 K CA -0.462 55.721 56.287 -0.173 0.000 0.796 399 K CB 0.740 33.005 32.500 -0.391 0.000 1.161 399 K HN 0.664 nan 8.250 nan 0.000 0.425 400 N N 4.011 122.621 118.700 -0.151 0.000 2.411 400 N HA 0.276 5.017 4.740 0.001 0.000 0.259 400 N C -0.893 174.524 175.510 -0.154 0.000 1.103 400 N CA -0.382 52.596 53.050 -0.119 0.000 0.954 400 N CB 0.649 39.093 38.487 -0.072 0.000 1.085 400 N HN 0.278 nan 8.380 nan 0.000 0.485 401 L N 2.614 123.749 121.223 -0.147 0.000 2.289 401 L HA 0.495 4.836 4.340 0.001 0.000 0.285 401 L C 0.172 176.993 176.870 -0.081 0.000 1.049 401 L CA -0.691 54.057 54.840 -0.153 0.000 0.804 401 L CB 0.902 42.865 42.059 -0.160 0.000 1.195 401 L HN 0.330 nan 8.230 nan 0.000 0.428 402 R N 1.427 121.891 120.500 -0.060 0.000 2.514 402 R HA 0.717 5.057 4.340 0.001 0.000 0.301 402 R C 0.482 176.777 176.300 -0.008 0.000 0.962 402 R CA 0.118 56.200 56.100 -0.030 0.000 0.882 402 R CB 1.387 31.666 30.300 -0.035 0.000 1.143 402 R HN 0.781 nan 8.270 nan 0.000 0.452 403 G N 2.506 111.305 108.800 -0.002 0.000 2.611 403 G HA2 -0.387 3.574 3.960 0.001 0.000 0.301 403 G HA3 -0.387 3.574 3.960 0.001 0.000 0.301 403 G C 0.240 175.152 174.900 0.019 0.000 1.233 403 G CA 0.576 45.682 45.100 0.009 0.000 0.993 403 G HN 0.567 nan 8.290 nan 0.000 0.553 404 K N 0.467 120.886 120.400 0.031 0.000 2.372 404 K HA 0.371 4.691 4.320 0.001 0.000 0.200 404 K C 2.403 179.041 176.600 0.063 0.000 1.022 404 K CA 0.759 57.070 56.287 0.040 0.000 1.125 404 K CB 0.357 32.872 32.500 0.025 0.000 0.855 404 K HN 0.401 nan 8.250 nan 0.000 0.524 405 S N 0.346 116.098 115.700 0.087 0.000 2.428 405 S HA -0.221 4.249 4.470 0.001 0.000 0.240 405 S C 0.859 175.614 174.600 0.260 0.000 1.036 405 S CA 1.087 59.392 58.200 0.176 0.000 1.009 405 S CB -0.160 63.159 63.200 0.199 0.000 0.803 405 S HN 0.480 nan 8.310 nan 0.000 0.486 406 C N 1.850 121.255 119.300 0.175 0.000 3.188 406 C HA 0.569 5.030 4.460 0.001 0.000 0.230 406 C C 0.758 175.831 174.990 0.137 0.000 1.239 406 C CA -0.973 58.165 59.018 0.200 0.000 1.494 406 C CB -0.871 26.991 27.740 0.204 0.000 1.798 406 C HN 0.528 nan 8.230 nan 0.000 0.458 407 N N 1.293 119.989 118.700 -0.007 0.000 2.373 407 N HA 0.118 4.858 4.740 0.001 0.000 0.181 407 N C 0.437 175.515 175.510 -0.719 0.000 1.082 407 N CA 0.547 53.500 53.050 -0.161 0.000 0.885 407 N CB 0.495 38.923 38.487 -0.098 0.000 0.977 407 N HN 0.795 nan 8.380 nan 0.000 0.462 408 S N -1.306 114.003 115.700 -0.651 0.000 2.651 408 S HA 0.334 4.804 4.470 0.001 0.000 0.279 408 S C 0.931 175.298 174.600 -0.389 0.000 1.148 408 S CA -0.762 56.991 58.200 -0.745 0.000 0.837 408 S CB 1.132 64.131 63.200 -0.335 0.000 1.138 408 S HN 0.017 nan 8.310 nan 0.000 0.478 409 I N 1.364 121.825 120.570 -0.183 0.000 2.335 409 I HA -0.163 4.007 4.170 0.001 0.000 0.251 409 I C 2.155 178.275 176.117 0.005 0.000 1.129 409 I CA 1.773 63.099 61.300 0.043 0.000 1.402 409 I CB -0.068 37.962 38.000 0.051 0.000 1.069 409 I HN 0.660 nan 8.210 nan 0.000 0.424 410 V N -1.306 118.576 119.914 -0.055 0.000 2.548 410 V HA -0.179 3.942 4.120 0.001 0.000 0.249 410 V C 1.926 177.985 176.094 -0.059 0.000 1.055 410 V CA 2.025 64.293 62.300 -0.054 0.000 1.065 410 V CB -0.745 31.038 31.823 -0.067 0.000 0.681 410 V HN 0.321 nan 8.190 nan 0.000 0.462 411 D N 0.130 120.498 120.400 -0.054 0.000 2.178 411 D HA -0.106 4.534 4.640 0.001 0.000 0.202 411 D C 2.185 178.551 176.300 0.109 0.000 0.974 411 D CA 1.757 55.752 54.000 -0.008 0.000 0.841 411 D CB -0.477 40.343 40.800 0.032 0.000 0.953 411 D HN 0.602 nan 8.370 nan 0.000 0.478 412 C N 0.322 119.703 119.300 0.135 0.000 2.429 412 C HA -0.061 4.399 4.460 0.001 0.000 0.277 412 C C 2.799 177.842 174.990 0.089 0.000 1.262 412 C CA 0.109 59.237 59.018 0.184 0.000 1.733 412 C CB -0.912 26.954 27.740 0.211 0.000 2.010 412 C HN 0.339 nan 8.230 nan 0.000 0.483 413 I N 0.590 121.175 120.570 0.024 0.000 2.353 413 I HA -0.137 4.034 4.170 0.001 0.000 0.248 413 I C 2.486 178.547 176.117 -0.094 0.000 1.119 413 I CA 1.187 62.477 61.300 -0.018 0.000 1.417 413 I CB -0.388 37.602 38.000 -0.017 0.000 1.078 413 I HN 0.220 nan 8.210 nan 0.000 0.421 414 S N -0.163 115.446 115.700 -0.153 0.000 2.383 414 S HA -0.204 4.267 4.470 0.001 0.000 0.229 414 S C 1.595 175.919 174.600 -0.459 0.000 1.030 414 S CA 1.428 59.449 58.200 -0.299 0.000 1.002 414 S CB -0.335 62.635 63.200 -0.383 0.000 0.829 414 S HN 0.463 nan 8.310 nan 0.000 0.467 415 W N 1.543 122.652 121.300 -0.318 0.000 2.409 415 W HA 0.145 4.805 4.660 0.000 0.000 0.299 415 W C 1.906 177.843 176.519 -0.970 0.000 1.203 415 W CA 0.171 57.134 57.345 -0.637 0.000 1.298 415 W CB -0.374 28.709 29.460 -0.629 0.000 1.127 415 W HN 0.199 nan 8.180 nan 0.000 0.528 416 L N 0.174 121.179 121.223 -0.363 0.000 2.131 416 L HA -0.211 4.130 4.340 0.001 0.000 0.210 416 L C 2.164 178.964 176.870 -0.116 0.000 1.092 416 L CA 1.329 56.049 54.840 -0.199 0.000 0.759 416 L CB -0.820 41.239 42.059 0.000 0.000 0.903 416 L HN 0.098 nan 8.230 nan 0.000 0.435 417 E N -0.169 119.945 120.200 -0.144 0.000 2.038 417 E HA -0.216 4.135 4.350 0.001 0.000 0.195 417 E C 2.284 178.822 176.600 -0.103 0.000 1.000 417 E CA 1.525 57.871 56.400 -0.090 0.000 0.803 417 E CB -0.143 29.490 29.700 -0.112 0.000 0.750 417 E HN 0.246 nan 8.360 nan 0.000 0.448 418 V N 1.080 120.868 119.914 -0.209 0.000 2.255 418 V HA -0.268 3.853 4.120 0.001 0.000 0.247 418 V C 2.107 178.103 176.094 -0.162 0.000 1.051 418 V CA 1.758 63.908 62.300 -0.251 0.000 1.018 418 V CB -0.575 31.141 31.823 -0.179 0.000 0.641 418 V HN 0.206 nan 8.190 nan 0.000 0.445 419 F N -0.812 119.111 119.950 -0.046 0.000 2.202 419 F HA -0.178 4.350 4.527 0.001 0.000 0.301 419 F C 2.604 178.393 175.800 -0.019 0.000 1.082 419 F CA 1.031 59.017 58.000 -0.024 0.000 1.313 419 F CB -1.638 37.401 39.000 0.064 0.000 1.024 419 F HN 0.227 nan 8.300 nan 0.000 0.495 420 C N -0.167 119.243 119.300 0.182 0.000 2.486 420 C HA 0.123 4.584 4.460 0.001 0.000 0.279 420 C C 3.089 178.179 174.990 0.166 0.000 1.302 420 C CA 0.971 60.094 59.018 0.174 0.000 1.720 420 C CB -1.424 26.397 27.740 0.136 0.000 2.030 420 C HN 0.453 nan 8.230 nan 0.000 0.490 421 A N -0.109 122.774 122.820 0.103 0.000 1.908 421 A HA -0.257 4.063 4.320 0.001 0.000 0.218 421 A C 2.100 179.800 177.584 0.194 0.000 1.181 421 A CA 2.139 54.283 52.037 0.178 0.000 0.627 421 A CB -0.786 18.359 19.000 0.243 0.000 0.818 421 A HN 0.785 nan 8.150 nan 0.000 0.445 422 E N -0.266 119.929 120.200 -0.007 0.000 2.047 422 E HA -0.127 4.223 4.350 0.001 0.000 0.191 422 E C 1.956 178.655 176.600 0.165 0.000 0.987 422 E CA 1.012 57.467 56.400 0.092 0.000 0.799 422 E CB -0.198 29.487 29.700 -0.026 0.000 0.752 422 E HN 0.619 nan 8.360 nan 0.000 0.449 423 L N 0.341 121.655 121.223 0.150 0.000 2.083 423 L HA -0.154 4.186 4.340 0.001 0.000 0.209 423 L C 2.644 179.611 176.870 0.161 0.000 1.083 423 L CA 1.378 56.311 54.840 0.155 0.000 0.752 423 L CB -0.477 41.684 42.059 0.170 0.000 0.899 423 L HN 0.213 nan 8.230 nan 0.000 0.433 424 T N -1.055 113.635 114.554 0.228 0.000 2.708 424 T HA -0.219 4.131 4.350 0.001 0.000 0.266 424 T C 2.159 176.982 174.700 0.206 0.000 1.037 424 T CA 1.757 64.019 62.100 0.270 0.000 1.146 424 T CB -0.194 68.898 68.868 0.374 0.000 0.865 424 T HN 0.436 nan 8.240 nan 0.000 0.435 425 S N 1.311 117.153 115.700 0.237 0.000 2.370 425 S HA -0.173 4.297 4.470 0.001 0.000 0.226 425 S C 2.113 176.803 174.600 0.150 0.000 1.033 425 S CA 1.197 59.534 58.200 0.227 0.000 1.011 425 S CB -0.266 63.126 63.200 0.320 0.000 0.852 425 S HN 0.473 nan 8.310 nan 0.000 0.457 426 R N 0.024 120.602 120.500 0.130 0.000 2.115 426 R HA 0.068 4.409 4.340 0.001 0.000 0.230 426 R C 2.205 178.522 176.300 0.028 0.000 1.111 426 R CA 1.271 57.417 56.100 0.078 0.000 0.976 426 R CB -0.333 30.015 30.300 0.081 0.000 0.870 426 R HN 0.423 nan 8.270 nan 0.000 0.445 427 I N 1.245 121.822 120.570 0.010 0.000 2.133 427 I HA -0.247 3.924 4.170 0.001 0.000 0.238 427 I C 2.227 178.330 176.117 -0.023 0.000 1.074 427 I CA 1.565 62.826 61.300 -0.065 0.000 1.342 427 I CB -1.052 36.785 38.000 -0.272 0.000 1.053 427 I HN 0.200 nan 8.210 nan 0.000 0.404 428 Q N 0.227 120.042 119.800 0.026 0.000 2.152 428 Q HA -0.292 4.049 4.340 0.001 0.000 0.206 428 Q C 1.858 177.879 176.000 0.035 0.000 0.985 428 Q CA 2.306 58.141 55.803 0.055 0.000 0.863 428 Q CB -0.196 28.602 28.738 0.099 0.000 0.904 428 Q HN 0.442 nan 8.270 nan 0.000 0.422 429 D N -0.181 120.236 120.400 0.029 0.000 2.117 429 D HA -0.131 4.509 4.640 0.001 0.000 0.197 429 D C 1.583 177.844 176.300 -0.064 0.000 0.987 429 D CA 0.881 54.882 54.000 0.002 0.000 0.829 429 D CB 0.027 40.836 40.800 0.014 0.000 0.961 429 D HN 0.168 nan 8.370 nan 0.000 0.460 430 L N 0.262 121.438 121.223 -0.078 0.000 2.093 430 L HA -0.084 4.256 4.340 0.001 0.000 0.208 430 L C 2.361 179.198 176.870 -0.055 0.000 1.085 430 L CA 0.990 55.737 54.840 -0.155 0.000 0.755 430 L CB -0.508 41.524 42.059 -0.044 0.000 0.904 430 L HN 0.161 nan 8.230 nan 0.000 0.435 431 E N -0.138 120.077 120.200 0.025 0.000 2.097 431 E HA -0.266 4.085 4.350 0.001 0.000 0.196 431 E C 2.223 178.845 176.600 0.035 0.000 1.000 431 E CA 1.203 57.641 56.400 0.064 0.000 0.804 431 E CB -0.035 29.700 29.700 0.057 0.000 0.740 431 E HN 0.527 nan 8.360 nan 0.000 0.454 432 Q N 0.212 120.011 119.800 -0.001 0.000 2.172 432 Q HA -0.146 4.194 4.340 0.001 0.000 0.200 432 Q C 1.985 177.956 176.000 -0.049 0.000 0.964 432 Q CA 0.828 56.628 55.803 -0.005 0.000 0.855 432 Q CB -0.046 28.694 28.738 0.004 0.000 0.918 432 Q HN 0.393 nan 8.270 nan 0.000 0.444 433 E N -0.269 119.836 120.200 -0.158 0.000 2.072 433 E HA -0.152 4.199 4.350 0.001 0.000 0.190 433 E C 1.105 177.573 176.600 -0.219 0.000 0.982 433 E CA 0.789 57.023 56.400 -0.276 0.000 0.803 433 E CB 0.188 29.557 29.700 -0.551 0.000 0.755 433 E HN 0.311 nan 8.360 nan 0.000 0.453 434 Y N -0.017 120.285 120.300 0.004 0.000 2.510 434 Y HA 0.129 4.680 4.550 0.002 0.000 0.273 434 Y C 0.978 176.883 175.900 0.008 0.000 1.119 434 Y CA 0.474 58.574 58.100 0.001 0.000 1.286 434 Y CB -0.083 38.370 38.460 -0.013 0.000 1.061 434 Y HN 0.051 nan 8.280 nan 0.000 0.542 435 N N 0.257 119.043 118.700 0.143 0.000 2.708 435 N HA -0.221 4.520 4.740 0.001 0.000 0.249 435 N C -1.134 174.436 175.510 0.100 0.000 1.097 435 N CA 0.921 54.029 53.050 0.097 0.000 0.710 435 N CB -0.748 37.784 38.487 0.075 0.000 1.032 435 N HN 0.045 nan 8.380 nan 0.000 0.551 436 K N -0.341 120.135 120.400 0.127 0.000 2.480 436 K HA 0.509 4.830 4.320 0.001 0.000 0.258 436 K C 0.052 176.702 176.600 0.083 0.000 0.990 436 K CA -0.862 55.477 56.287 0.087 0.000 0.857 436 K CB 1.385 33.920 32.500 0.059 0.000 1.384 436 K HN 0.184 nan 8.250 nan 0.000 0.446 437 I N 2.073 122.676 120.570 0.055 0.000 2.618 437 I HA 0.125 4.296 4.170 0.001 0.000 0.284 437 I C -0.030 176.116 176.117 0.048 0.000 1.146 437 I CA 0.100 61.429 61.300 0.048 0.000 1.425 437 I CB 0.508 38.528 38.000 0.033 0.000 1.383 437 I HN 0.285 nan 8.210 nan 0.000 0.562 438 V N 8.550 128.491 119.914 0.047 0.000 2.483 438 V HA 0.507 4.628 4.120 0.001 0.000 0.297 438 V C -0.146 175.961 176.094 0.021 0.000 1.027 438 V CA -0.588 61.748 62.300 0.059 0.000 0.855 438 V CB 2.319 34.175 31.823 0.054 0.000 0.995 438 V HN 0.559 nan 8.190 nan 0.000 0.424 439 I N 7.429 128.061 120.570 0.102 0.000 2.529 439 I HA 0.481 4.651 4.170 0.001 0.000 0.284 439 I C -2.689 173.479 176.117 0.085 0.000 1.088 439 I CA -2.113 59.205 61.300 0.030 0.000 1.062 439 I CB 3.340 41.301 38.000 -0.065 0.000 1.218 439 I HN 0.443 nan 8.210 nan 0.000 0.442 440 P HA 0.308 nan 4.420 nan 0.000 0.287 440 P C -0.285 177.049 177.300 0.056 0.000 1.294 440 P CA -0.418 62.507 63.100 -0.292 0.000 0.776 440 P CB 1.392 32.819 31.700 -0.456 0.000 0.889 441 R N 1.393 121.887 120.500 -0.010 0.000 2.090 441 R HA 0.089 4.429 4.340 0.001 0.000 0.228 441 R C 0.643 176.944 176.300 0.001 0.000 1.110 441 R CA 1.257 57.398 56.100 0.068 0.000 0.973 441 R CB -0.846 29.483 30.300 0.049 0.000 0.869 441 R HN 0.445 nan 8.270 nan 0.000 0.440 442 T N -0.130 114.390 114.554 -0.057 0.000 2.829 442 T HA 0.614 4.964 4.350 0.001 0.000 0.280 442 T C -0.858 173.829 174.700 -0.023 0.000 0.999 442 T CA -0.589 61.496 62.100 -0.024 0.000 0.983 442 T CB 2.527 71.390 68.868 -0.008 0.000 0.968 442 T HN -0.273 nan 8.240 nan 0.000 0.446 443 V N 2.696 122.633 119.914 0.038 0.000 2.789 443 V HA 0.802 4.923 4.120 0.001 0.000 0.311 443 V C -0.512 175.710 176.094 0.212 0.000 1.073 443 V CA -0.824 61.517 62.300 0.067 0.000 0.921 443 V CB 2.337 34.155 31.823 -0.008 0.000 1.009 443 V HN 1.091 nan 8.190 nan 0.000 0.426 444 S N 4.530 120.347 115.700 0.195 0.000 2.541 444 S HA 0.738 5.208 4.470 0.001 0.000 0.280 444 S C -1.175 173.560 174.600 0.225 0.000 1.112 444 S CA -0.759 57.593 58.200 0.253 0.000 0.925 444 S CB 1.853 65.138 63.200 0.141 0.000 1.067 444 S HN 0.456 nan 8.310 nan 0.000 0.479 445 I N 2.430 123.172 120.570 0.286 0.000 2.354 445 I HA 0.494 4.664 4.170 0.001 0.000 0.292 445 I C 0.059 176.270 176.117 0.157 0.000 0.989 445 I CA -0.270 61.171 61.300 0.234 0.000 1.188 445 I CB 1.655 39.841 38.000 0.310 0.000 1.342 445 I HN 0.787 nan 8.210 nan 0.000 0.457 446 S N 7.116 122.889 115.700 0.120 0.000 2.513 446 S HA 0.887 5.358 4.470 0.001 0.000 0.299 446 S C -0.847 173.802 174.600 0.082 0.000 1.087 446 S CA -0.512 57.740 58.200 0.087 0.000 1.012 446 S CB 1.377 64.606 63.200 0.049 0.000 1.044 446 S HN 0.447 nan 8.310 nan 0.000 0.485 447 L N 1.336 122.602 121.223 0.071 0.000 2.469 447 L HA 0.751 5.092 4.340 0.001 0.000 0.256 447 L C -1.165 175.702 176.870 -0.005 0.000 1.006 447 L CA -0.846 54.008 54.840 0.024 0.000 0.832 447 L CB 1.639 43.699 42.059 0.002 0.000 1.421 447 L HN 0.399 nan 8.230 nan 0.000 0.410 448 K N 0.930 121.294 120.400 -0.060 0.000 2.292 448 K HA 0.593 4.913 4.320 0.001 0.000 0.257 448 K C -0.443 176.029 176.600 -0.213 0.000 0.940 448 K CA -0.477 55.760 56.287 -0.083 0.000 0.811 448 K CB 2.295 34.773 32.500 -0.036 0.000 1.120 448 K HN 0.993 nan 8.250 nan 0.000 0.428 449 T N -1.458 112.941 114.554 -0.259 0.000 2.770 449 T HA 0.125 4.476 4.350 0.001 0.000 0.281 449 T C 1.359 175.829 174.700 -0.384 0.000 0.981 449 T CA -0.434 61.425 62.100 -0.402 0.000 0.955 449 T CB 1.037 69.680 68.868 -0.375 0.000 1.060 449 T HN 0.587 nan 8.240 nan 0.000 0.531 450 K N -0.042 120.158 120.400 -0.334 0.000 2.113 450 K HA -0.153 4.167 4.320 0.001 0.000 0.208 450 K C 2.205 178.565 176.600 -0.400 0.000 1.047 450 K CA 1.780 57.871 56.287 -0.327 0.000 0.928 450 K CB -0.646 31.767 32.500 -0.145 0.000 0.716 450 K HN 0.689 nan 8.250 nan 0.000 0.446 451 S N -0.492 115.076 115.700 -0.219 0.000 2.607 451 S HA -0.103 4.367 4.470 0.001 0.000 0.224 451 S C -0.102 174.528 174.600 0.051 0.000 0.969 451 S CA 0.134 58.303 58.200 -0.052 0.000 0.927 451 S CB -0.565 62.642 63.200 0.011 0.000 0.772 451 S HN 0.420 nan 8.310 nan 0.000 0.533 452 Y N -0.016 120.265 120.300 -0.033 0.000 3.978 452 Y HA -0.221 4.329 4.550 0.000 0.000 0.219 452 Y C 0.361 176.238 175.900 -0.039 0.000 1.153 452 Y CA 0.970 59.048 58.100 -0.037 0.000 1.718 452 Y CB -2.400 36.041 38.460 -0.031 0.000 1.541 452 Y HN 0.581 nan 8.280 nan 0.000 0.640 453 E N 0.483 120.705 120.200 0.036 0.000 2.301 453 E HA 0.509 4.859 4.350 0.001 0.000 0.275 453 E C -0.688 175.904 176.600 -0.014 0.000 1.030 453 E CA -0.559 55.840 56.400 -0.001 0.000 0.852 453 E CB 1.058 30.757 29.700 -0.001 0.000 1.060 453 E HN 0.071 nan 8.360 nan 0.000 0.401 454 V N 5.523 125.374 119.914 -0.105 0.000 2.350 454 V HA 0.220 4.341 4.120 0.001 0.000 0.276 454 V C -0.994 175.000 176.094 -0.167 0.000 1.028 454 V CA -0.404 61.858 62.300 -0.063 0.000 0.860 454 V CB 0.156 31.951 31.823 -0.047 0.000 0.990 454 V HN 0.563 nan 8.190 nan 0.000 0.453 455 Y N 4.841 125.112 120.300 -0.049 0.000 2.409 455 Y HA 0.799 5.349 4.550 0.001 0.000 0.339 455 Y C 0.475 176.372 175.900 -0.005 0.000 1.033 455 Y CA -0.844 57.248 58.100 -0.013 0.000 1.094 455 Y CB 1.750 40.226 38.460 0.026 0.000 1.210 455 Y HN 0.678 nan 8.280 nan 0.000 0.456 456 R N 1.442 122.019 120.500 0.128 0.000 2.643 456 R HA 0.714 5.054 4.340 0.001 0.000 0.269 456 R C -2.164 174.141 176.300 0.009 0.000 1.037 456 R CA -1.183 54.962 56.100 0.074 0.000 0.894 456 R CB 2.147 32.471 30.300 0.041 0.000 1.238 456 R HN 0.658 nan 8.270 nan 0.000 0.459 457 K N 1.570 121.950 120.400 -0.035 0.000 2.482 457 K HA 0.350 4.670 4.320 0.001 0.000 0.251 457 K C -1.706 174.760 176.600 -0.223 0.000 0.936 457 K CA -0.560 55.578 56.287 -0.249 0.000 0.791 457 K CB 2.524 34.719 32.500 -0.509 0.000 1.213 457 K HN 0.652 nan 8.250 nan 0.000 0.428 458 S N 1.953 117.525 115.700 -0.214 0.000 2.536 458 S HA 0.939 5.410 4.470 0.001 0.000 0.298 458 S C -0.741 173.862 174.600 0.006 0.000 1.083 458 S CA -0.076 58.131 58.200 0.012 0.000 0.995 458 S CB 1.573 64.791 63.200 0.029 0.000 1.058 458 S HN 0.887 nan 8.310 nan 0.000 0.488 459 G N 2.604 111.601 108.800 0.328 0.000 2.488 459 G HA2 0.557 4.517 3.960 0.001 0.000 0.301 459 G HA3 0.557 4.517 3.960 0.001 0.000 0.301 459 G C -3.564 171.479 174.900 0.238 0.000 1.339 459 G CA -0.841 44.443 45.100 0.307 0.000 0.803 459 G HN 0.571 nan 8.290 nan 0.000 0.482 460 P HA 0.414 nan 4.420 nan 0.000 0.275 460 P C -0.405 176.868 177.300 -0.045 0.000 1.228 460 P CA -0.414 62.710 63.100 0.040 0.000 0.786 460 P CB 1.707 33.424 31.700 0.027 0.000 0.927 461 V N 1.816 121.655 119.914 -0.126 0.000 2.409 461 V HA 0.758 4.878 4.120 0.001 0.000 0.291 461 V C -0.748 175.074 176.094 -0.452 0.000 1.020 461 V CA -0.750 61.361 62.300 -0.315 0.000 0.848 461 V CB 0.695 32.313 31.823 -0.341 0.000 0.990 461 V HN 0.705 nan 8.190 nan 0.000 0.430 462 A N 6.232 128.771 122.820 -0.468 0.000 2.330 462 A HA 0.850 5.170 4.320 0.001 0.000 0.327 462 A C -1.462 175.832 177.584 -0.483 0.000 1.155 462 A CA -0.514 51.317 52.037 -0.343 0.000 0.803 462 A CB 0.983 19.900 19.000 -0.139 0.000 1.208 462 A HN 0.930 nan 8.150 nan 0.000 0.477 463 Y N 0.966 121.238 120.300 -0.046 0.000 2.334 463 Y HA 0.499 5.049 4.550 -0.000 0.000 0.336 463 Y C 0.990 176.864 175.900 -0.043 0.000 0.960 463 Y CA -0.464 57.590 58.100 -0.076 0.000 1.164 463 Y CB 1.373 39.790 38.460 -0.070 0.000 1.155 463 Y HN 0.712 nan 8.280 nan 0.000 0.478 464 K N 2.719 123.163 120.400 0.073 0.000 2.054 464 K HA 0.566 4.886 4.320 0.001 0.000 0.242 464 K C 0.464 177.111 176.600 0.078 0.000 1.157 464 K CA 0.465 56.789 56.287 0.063 0.000 1.079 464 K CB -0.751 nan 32.500 nan 0.000 1.331 464 K HN 1.164 nan 8.250 nan 0.000 0.317 465 G N -0.275 108.574 108.800 0.082 0.000 2.368 465 G HA2 0.211 4.171 3.960 0.001 0.000 0.302 465 G HA3 0.211 4.171 3.960 0.001 0.000 0.302 465 G C 0.373 175.312 174.900 0.066 0.000 1.329 465 G CA -0.149 44.992 45.100 0.067 0.000 0.935 465 G HN 1.111 nan 8.290 nan 0.000 0.590 466 I N -1.537 119.055 120.570 0.036 0.000 3.526 466 I HA 0.343 4.513 4.170 0.001 0.000 0.294 466 I C 0.366 176.471 176.117 -0.020 0.000 1.229 466 I CA 0.410 61.724 61.300 0.023 0.000 1.408 466 I CB 0.122 38.136 38.000 0.022 0.000 1.127 466 I HN 0.546 nan 8.210 nan 0.000 0.439 467 N N 0.916 119.593 118.700 -0.039 0.000 2.362 467 N HA 0.185 4.926 4.740 0.001 0.000 0.299 467 N C -0.861 174.540 175.510 -0.181 0.000 1.170 467 N CA -0.744 52.263 53.050 -0.073 0.000 0.825 467 N CB 1.463 39.950 38.487 -0.001 0.000 1.299 467 N HN 0.129 nan 8.380 nan 0.000 0.502 468 F N 0.500 120.227 119.950 -0.372 0.000 2.563 468 F HA 0.120 4.647 4.527 0.001 0.000 0.363 468 F C -0.169 175.544 175.800 -0.145 0.000 1.123 468 F CA 0.465 58.178 58.000 -0.478 0.000 1.307 468 F CB 0.471 39.290 39.000 -0.302 0.000 1.115 468 F HN 0.401 nan 8.300 nan 0.000 0.592 469 Q N 4.237 123.425 119.800 -1.020 0.000 2.305 469 Q HA 0.161 4.502 4.340 0.001 0.000 0.271 469 Q C 0.499 175.906 176.000 -0.989 0.000 1.046 469 Q CA -0.596 54.756 55.803 -0.751 0.000 0.798 469 Q CB 1.965 30.440 28.738 -0.439 0.000 1.286 469 Q HN 0.826 nan 8.270 nan 0.000 0.435 470 S N 1.541 116.937 115.700 -0.506 0.000 2.372 470 S HA -0.242 4.229 4.470 0.001 0.000 0.227 470 S C 1.704 176.218 174.600 -0.144 0.000 1.044 470 S CA 2.374 60.470 58.200 -0.173 0.000 1.050 470 S CB -0.203 63.057 63.200 0.100 0.000 0.901 470 S HN 0.873 nan 8.310 nan 0.000 0.447 471 H N -0.146 118.869 119.070 -0.092 0.000 2.491 471 H HA 0.082 4.639 4.556 0.001 0.000 0.290 471 H C 1.724 176.999 175.328 -0.089 0.000 1.050 471 H CA 1.267 57.278 56.048 -0.062 0.000 1.309 471 H CB -0.465 29.271 29.762 -0.044 0.000 1.392 471 H HN 0.443 nan 8.280 nan 0.000 0.554 472 E N 1.305 121.127 120.200 -0.630 0.000 2.072 472 E HA -0.082 4.268 4.350 0.001 0.000 0.191 472 E C 2.529 178.937 176.600 -0.320 0.000 0.985 472 E CA 0.277 56.408 56.400 -0.447 0.000 0.801 472 E CB -0.150 29.295 29.700 -0.425 0.000 0.750 472 E HN 0.442 nan 8.360 nan 0.000 0.452 473 L N 0.718 121.800 121.223 -0.236 0.000 2.005 473 L HA -0.153 4.187 4.340 0.001 0.000 0.207 473 L C 2.549 179.367 176.870 -0.087 0.000 1.072 473 L CA 0.905 55.684 54.840 -0.101 0.000 0.744 473 L CB -0.299 41.834 42.059 0.123 0.000 0.895 473 L HN 0.155 nan 8.230 nan 0.000 0.433 474 L N 0.761 121.962 121.223 -0.038 0.000 2.043 474 L HA -0.292 4.048 4.340 0.001 0.000 0.212 474 L C 2.628 179.465 176.870 -0.054 0.000 1.075 474 L CA 2.012 56.846 54.840 -0.011 0.000 0.752 474 L CB -0.789 41.286 42.059 0.026 0.000 0.891 474 L HN 0.236 nan 8.230 nan 0.000 0.432 475 K N -0.837 119.518 120.400 -0.075 0.000 2.032 475 K HA -0.166 4.154 4.320 0.001 0.000 0.209 475 K C 1.827 178.342 176.600 -0.142 0.000 1.048 475 K CA 2.227 58.466 56.287 -0.079 0.000 0.927 475 K CB -0.209 32.248 32.500 -0.072 0.000 0.712 475 K HN 0.355 nan 8.250 nan 0.000 0.441 476 V N 0.686 120.452 119.914 -0.245 0.000 2.427 476 V HA -0.135 3.986 4.120 0.001 0.000 0.248 476 V C 2.511 178.267 176.094 -0.563 0.000 1.051 476 V CA 1.940 63.964 62.300 -0.459 0.000 1.048 476 V CB -0.872 30.608 31.823 -0.572 0.000 0.666 476 V HN 0.578 nan 8.190 nan 0.000 0.456 477 G N 0.141 108.757 108.800 -0.307 0.000 2.418 477 G HA2 -0.197 3.763 3.960 0.001 0.000 0.217 477 G HA3 -0.197 3.763 3.960 0.001 0.000 0.217 477 G C 1.569 176.461 174.900 -0.013 0.000 1.158 477 G CA 0.906 45.927 45.100 -0.131 0.000 0.771 477 G HN 0.485 nan 8.290 nan 0.000 0.545 478 I N 0.291 120.847 120.570 -0.023 0.000 2.315 478 I HA -0.121 4.049 4.170 0.001 0.000 0.248 478 I C 2.720 178.866 176.117 0.049 0.000 1.117 478 I CA 1.098 62.412 61.300 0.023 0.000 1.404 478 I CB -0.170 37.833 38.000 0.005 0.000 1.071 478 I HN 0.155 nan 8.210 nan 0.000 0.419 479 K N 1.119 121.531 120.400 0.020 0.000 2.025 479 K HA -0.170 4.151 4.320 0.001 0.000 0.207 479 K C 2.268 179.023 176.600 0.258 0.000 1.049 479 K CA 1.564 57.909 56.287 0.097 0.000 0.933 479 K CB -0.084 32.456 32.500 0.067 0.000 0.714 479 K HN 0.058 nan 8.250 nan 0.000 0.438 480 F N 1.051 121.022 119.950 0.034 0.000 2.102 480 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 480 F C 2.482 178.320 175.800 0.063 0.000 1.105 480 F CA 0.599 58.627 58.000 0.047 0.000 1.239 480 F CB -1.206 37.827 39.000 0.054 0.000 0.991 480 F HN -0.127 nan 8.300 nan 0.000 0.474 481 V N -0.854 119.230 119.914 0.283 0.000 2.759 481 V HA -0.222 3.899 4.120 0.001 0.000 0.256 481 V C 2.007 178.191 176.094 0.150 0.000 1.080 481 V CA 2.293 64.718 62.300 0.207 0.000 1.101 481 V CB -0.521 31.417 31.823 0.191 0.000 0.698 481 V HN 0.388 nan 8.190 nan 0.000 0.477 482 T N -0.628 114.003 114.554 0.127 0.000 2.976 482 T HA -0.044 4.306 4.350 0.001 0.000 0.257 482 T C 1.487 176.210 174.700 0.037 0.000 1.051 482 T CA 1.081 63.224 62.100 0.071 0.000 1.141 482 T CB -0.161 68.746 68.868 0.065 0.000 0.881 482 T HN 0.513 nan 8.240 nan 0.000 0.461 483 D N 1.663 122.104 120.400 0.069 0.000 2.084 483 D HA -0.003 4.637 4.640 0.001 0.000 0.194 483 D C 2.157 178.454 176.300 -0.005 0.000 0.990 483 D CA 0.836 54.856 54.000 0.034 0.000 0.826 483 D CB -0.435 40.395 40.800 0.050 0.000 0.971 483 D HN 0.297 nan 8.370 nan 0.000 0.453 484 L N 0.801 122.039 121.223 0.025 0.000 2.079 484 L HA -0.203 4.138 4.340 0.001 0.000 0.210 484 L C 2.139 178.889 176.870 -0.200 0.000 1.081 484 L CA 1.053 55.894 54.840 0.001 0.000 0.752 484 L CB -0.438 41.687 42.059 0.111 0.000 0.896 484 L HN -0.018 nan 8.230 nan 0.000 0.433 485 D N 0.291 120.557 120.400 -0.223 0.000 2.221 485 D HA -0.191 4.449 4.640 0.001 0.000 0.204 485 D C 1.909 177.917 176.300 -0.486 0.000 0.982 485 D CA 1.216 54.902 54.000 -0.524 0.000 0.857 485 D CB 0.186 40.870 40.800 -0.195 0.000 0.934 485 D HN 0.123 nan 8.370 nan 0.000 0.475 486 I N 0.707 121.127 120.570 -0.250 0.000 2.270 486 I HA -0.076 4.095 4.170 0.001 0.000 0.239 486 I C 2.383 178.416 176.117 -0.140 0.000 1.080 486 I CA 0.772 61.974 61.300 -0.163 0.000 1.383 486 I CB -0.731 37.223 38.000 -0.076 0.000 1.097 486 I HN -0.090 nan 8.210 nan 0.000 0.420 487 K N 0.053 120.407 120.400 -0.077 0.000 2.127 487 K HA -0.216 4.104 4.320 0.001 0.000 0.212 487 K C 1.441 178.072 176.600 0.053 0.000 1.050 487 K CA 1.706 58.018 56.287 0.042 0.000 0.929 487 K CB -0.588 32.027 32.500 0.191 0.000 0.715 487 K HN 0.484 nan 8.250 nan 0.000 0.457 488 G N -0.066 108.627 108.800 -0.177 0.000 3.805 488 G HA2 -0.014 3.947 3.960 0.001 0.000 0.290 488 G HA3 -0.014 3.947 3.960 0.001 0.000 0.290 488 G C 0.751 175.504 174.900 -0.244 0.000 1.077 488 G CA -0.290 44.746 45.100 -0.107 0.000 0.852 488 G HN 0.013 nan 8.290 nan 0.000 0.531 489 K N 1.855 122.107 120.400 -0.247 0.000 2.077 489 K HA -0.178 4.142 4.320 0.001 0.000 0.213 489 K C 0.585 177.116 176.600 -0.115 0.000 1.051 489 K CA 1.485 57.639 56.287 -0.221 0.000 0.929 489 K CB -0.262 32.160 32.500 -0.129 0.000 0.715 489 K HN 0.350 nan 8.250 nan 0.000 0.451 490 N N 0.252 118.926 118.700 -0.043 0.000 2.806 490 N HA 0.190 4.930 4.740 0.001 0.000 0.315 490 N C -1.182 174.350 175.510 0.038 0.000 1.738 490 N CA -0.219 52.832 53.050 0.001 0.000 0.993 490 N CB 1.014 39.504 38.487 0.006 0.000 1.324 490 N HN 0.065 nan 8.380 nan 0.000 0.493 491 K N 0.235 120.674 120.400 0.064 0.000 3.350 491 K HA 0.179 4.500 4.320 0.001 0.000 0.181 491 K C -0.488 176.175 176.600 0.104 0.000 1.064 491 K CA -0.265 56.084 56.287 0.103 0.000 0.839 491 K CB 0.578 33.183 32.500 0.174 0.000 0.819 491 K HN 0.077 nan 8.250 nan 0.000 0.523 492 S N 0.357 116.102 115.700 0.074 0.000 3.559 492 S HA -0.244 4.227 4.470 0.001 0.000 0.369 492 S C 0.606 175.223 174.600 0.027 0.000 0.987 492 S CA 0.769 59.001 58.200 0.052 0.000 1.187 492 S CB -1.489 61.732 63.200 0.034 0.000 0.914 492 S HN 0.576 nan 8.310 nan 0.000 0.480 493 Y N 0.416 120.630 120.300 -0.143 0.000 2.130 493 Y HA 0.070 4.620 4.550 0.000 0.000 0.287 493 Y C 0.873 176.555 175.900 -0.363 0.000 1.124 493 Y CA 1.627 59.529 58.100 -0.329 0.000 1.118 493 Y CB 0.187 38.325 38.460 -0.538 0.000 0.994 493 Y HN 0.481 nan 8.280 nan 0.000 0.497 494 Y N 0.528 120.915 120.300 0.145 0.000 2.419 494 Y HA 0.376 4.927 4.550 0.001 0.000 0.328 494 Y C -1.978 173.924 175.900 0.003 0.000 1.162 494 Y CA -3.510 54.627 58.100 0.062 0.000 1.174 494 Y CB -0.018 38.503 38.460 0.102 0.000 1.228 494 Y HN -0.041 nan 8.280 nan 0.000 0.473 495 P HA 0.040 nan 4.420 nan 0.000 0.270 495 P C -0.860 176.462 177.300 0.036 0.000 1.223 495 P CA -0.332 62.874 63.100 0.177 0.000 0.785 495 P CB 0.542 32.289 31.700 0.078 0.000 0.923 496 L N 1.381 122.645 121.223 0.068 0.000 2.439 496 L HA 0.110 4.450 4.340 0.001 0.000 0.269 496 L C 1.718 178.523 176.870 -0.110 0.000 1.179 496 L CA 1.105 55.894 54.840 -0.084 0.000 0.828 496 L CB -0.616 41.430 42.059 -0.022 0.000 1.106 496 L HN 0.409 nan 8.230 nan 0.000 0.467 497 T N 0.909 115.364 114.554 -0.165 0.000 3.033 497 T HA 0.137 4.488 4.350 0.001 0.000 0.248 497 T C 0.517 175.161 174.700 -0.092 0.000 1.040 497 T CA 0.590 62.605 62.100 -0.141 0.000 1.133 497 T CB 0.194 68.942 68.868 -0.199 0.000 0.895 497 T HN 0.329 nan 8.240 nan 0.000 0.465 498 K N 0.522 120.869 120.400 -0.088 0.000 2.523 498 K HA 0.569 4.890 4.320 0.001 0.000 0.257 498 K C -2.289 174.290 176.600 -0.035 0.000 0.932 498 K CA -0.729 55.519 56.287 -0.065 0.000 0.812 498 K CB 2.204 34.681 32.500 -0.038 0.000 1.326 498 K HN -0.055 nan 8.250 nan 0.000 0.433 499 L N 2.073 123.293 121.223 -0.005 0.000 2.464 499 L HA 0.603 4.943 4.340 0.001 0.000 0.266 499 L C -1.566 175.376 176.870 0.119 0.000 0.965 499 L CA 0.043 54.957 54.840 0.123 0.000 0.833 499 L CB 1.994 44.177 42.059 0.206 0.000 1.296 499 L HN 0.733 nan 8.230 nan 0.000 0.405 500 S N 4.426 120.179 115.700 0.089 0.000 2.550 500 S HA 0.757 5.227 4.470 0.001 0.000 0.270 500 S C -1.072 173.543 174.600 0.024 0.000 1.145 500 S CA -0.817 57.293 58.200 -0.151 0.000 0.852 500 S CB 1.508 64.614 63.200 -0.156 0.000 1.119 500 S HN 0.819 nan 8.310 nan 0.000 0.465 501 M N 2.304 121.873 119.600 -0.051 0.000 2.321 501 M HA 0.565 5.046 4.480 0.001 0.000 0.315 501 M C -1.615 174.699 176.300 0.024 0.000 1.052 501 M CA -0.029 55.323 55.300 0.086 0.000 0.936 501 M CB 1.983 34.708 32.600 0.209 0.000 1.639 501 M HN 0.872 nan 8.290 nan 0.000 0.433 502 T N 6.146 120.735 114.554 0.059 0.000 2.848 502 T HA 0.590 4.941 4.350 0.001 0.000 0.285 502 T C -0.468 174.271 174.700 0.065 0.000 0.995 502 T CA -0.631 61.503 62.100 0.056 0.000 0.970 502 T CB 1.053 69.950 68.868 0.049 0.000 0.976 502 T HN 0.678 nan 8.240 nan 0.000 0.441 503 I N 1.090 121.701 120.570 0.068 0.000 2.460 503 I HA 0.879 5.050 4.170 0.001 0.000 0.298 503 I C 0.197 176.257 176.117 -0.096 0.000 0.989 503 I CA -0.644 60.646 61.300 -0.017 0.000 1.173 503 I CB 1.903 39.890 38.000 -0.022 0.000 1.338 503 I HN 0.717 nan 8.210 nan 0.000 0.456 504 T N 0.387 114.787 114.554 -0.257 0.000 2.618 504 T HA 0.405 4.755 4.350 0.001 0.000 0.293 504 T C -0.232 174.227 174.700 -0.402 0.000 1.093 504 T CA -0.903 61.053 62.100 -0.240 0.000 1.061 504 T CB 0.746 69.601 68.868 -0.022 0.000 1.498 504 T HN 0.685 nan 8.240 nan 0.000 0.494 505 N N 0.321 118.928 118.700 -0.154 0.000 2.650 505 N HA -0.134 4.607 4.740 0.001 0.000 0.272 505 N C -1.253 174.160 175.510 -0.161 0.000 1.058 505 N CA 0.407 53.406 53.050 -0.085 0.000 0.765 505 N CB -1.600 36.860 38.487 -0.046 0.000 0.902 505 N HN 0.571 nan 8.380 nan 0.000 0.551 506 F N 1.275 121.245 119.950 0.033 0.000 2.467 506 F HA 0.136 4.662 4.527 -0.001 0.000 0.362 506 F C 1.557 177.361 175.800 0.007 0.000 1.090 506 F CA -0.149 57.862 58.000 0.018 0.000 1.202 506 F CB 0.742 39.742 39.000 -0.001 0.000 1.113 506 F HN 0.201 nan 8.300 nan 0.000 0.541 507 D N 1.005 121.499 120.400 0.158 0.000 2.653 507 D HA -0.245 4.396 4.640 0.001 0.000 0.184 507 D C -0.217 176.123 176.300 0.066 0.000 0.993 507 D CA 1.940 55.995 54.000 0.092 0.000 1.027 507 D CB -1.262 39.580 40.800 0.070 0.000 1.089 507 D HN 0.569 nan 8.370 nan 0.000 0.447 508 I N 0.000 120.607 120.570 0.062 0.000 2.984 508 I HA 0.000 4.170 4.170 0.001 0.000 0.288 508 I CA 0.000 61.329 61.300 0.049 0.000 1.566 508 I CB 0.000 38.025 38.000 0.041 0.000 1.214 508 I HN 0.000 nan 8.210 nan 0.000 0.494