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 1g1y_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLDVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGAIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR 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 0.000 176.231 176.300 -0.115 0.000 1.140 1 M CA 0.000 55.255 55.300 -0.075 0.000 0.988 1 M CB 0.000 32.553 32.600 -0.078 0.000 1.302 2 L N 5.617 126.767 121.223 -0.121 0.000 2.255 2 L HA 0.339 4.679 4.340 -0.000 0.000 0.289 2 L C 0.792 177.530 176.870 -0.221 0.000 1.046 2 L CA 0.306 55.063 54.840 -0.139 0.000 0.816 2 L CB 0.694 42.693 42.059 -0.100 0.000 1.197 2 L HN 0.796 nan 8.230 nan 0.000 0.427 3 L N 1.617 122.633 121.223 -0.346 0.000 2.395 3 L HA -0.024 4.316 4.340 -0.000 0.000 0.218 3 L C 1.219 177.771 176.870 -0.529 0.000 1.130 3 L CA 0.473 54.898 54.840 -0.693 0.000 0.826 3 L CB -0.109 41.277 42.059 -1.121 0.000 0.941 3 L HN 0.644 nan 8.230 nan 0.000 0.451 4 E N 0.686 120.745 120.200 -0.235 0.000 2.526 4 E HA -0.045 4.305 4.350 -0.000 0.000 0.198 4 E C 1.562 178.151 176.600 -0.018 0.000 1.091 4 E CA 0.584 56.941 56.400 -0.072 0.000 0.880 4 E CB 0.080 29.767 29.700 -0.021 0.000 0.873 4 E HN 0.416 nan 8.360 nan 0.000 0.527 5 A N 0.073 122.859 122.820 -0.056 0.000 2.431 5 A HA 0.209 4.529 4.320 -0.000 0.000 0.239 5 A C 0.318 177.947 177.584 0.075 0.000 1.230 5 A CA -0.291 51.780 52.037 0.057 0.000 0.928 5 A CB 0.362 19.378 19.000 0.027 0.000 1.006 5 A HN 0.048 nan 8.150 nan 0.000 0.520 6 I N -0.483 120.055 120.570 -0.054 0.000 2.440 6 I HA 0.497 4.667 4.170 -0.000 0.000 0.294 6 I C -0.583 175.572 176.117 0.064 0.000 0.995 6 I CA -0.733 60.533 61.300 -0.056 0.000 1.306 6 I CB 0.961 38.808 38.000 -0.255 0.000 1.407 6 I HN 0.219 nan 8.210 nan 0.000 0.501 7 F N 5.538 125.471 119.950 -0.027 0.000 2.581 7 F HA 0.591 5.117 4.527 -0.000 0.000 0.311 7 F C -1.027 174.835 175.800 0.103 0.000 1.113 7 F CA -0.416 57.609 58.000 0.042 0.000 0.935 7 F CB 1.228 40.122 39.000 -0.177 0.000 1.232 7 F HN 0.551 nan 8.300 nan 0.000 0.445 8 H N 2.926 121.467 119.070 -0.881 0.000 3.123 8 H HA 0.406 4.962 4.556 -0.000 0.000 0.346 8 H C -1.835 172.940 175.328 -0.920 0.000 1.138 8 H CA -0.629 54.966 56.048 -0.755 0.000 1.273 8 H CB 1.735 31.273 29.762 -0.373 0.000 1.926 8 H HN 0.648 nan 8.280 nan 0.000 0.524 9 E N 3.073 122.639 120.200 -1.056 0.000 2.234 9 E HA 0.576 4.926 4.350 -0.000 0.000 0.266 9 E C -0.376 175.878 176.600 -0.576 0.000 0.877 9 E CA -0.989 55.042 56.400 -0.613 0.000 0.758 9 E CB 2.246 31.814 29.700 -0.219 0.000 1.170 9 E HN 0.567 nan 8.360 nan 0.000 0.415 10 A N 3.619 126.246 122.820 -0.322 0.000 2.248 10 A HA -0.101 4.219 4.320 -0.000 0.000 0.210 10 A C 0.793 178.405 177.584 0.048 0.000 1.174 10 A CA 0.762 52.782 52.037 -0.029 0.000 0.750 10 A CB -0.557 18.450 19.000 0.011 0.000 0.780 10 A HN 0.630 nan 8.150 nan 0.000 0.478 11 K N -1.939 118.461 120.400 0.000 0.000 2.240 11 K HA 0.637 4.957 4.320 -0.000 0.000 0.237 11 K C 0.763 177.442 176.600 0.133 0.000 1.027 11 K CA -0.294 56.033 56.287 0.067 0.000 0.937 11 K CB 0.398 32.911 32.500 0.022 0.000 1.171 11 K HN 0.803 nan 8.250 nan 0.000 0.479 12 G N 0.211 109.106 108.800 0.159 0.000 2.593 12 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.237 12 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.237 12 G C 0.383 175.400 174.900 0.194 0.000 1.312 12 G CA 0.063 45.249 45.100 0.144 0.000 0.896 12 G HN 0.528 nan 8.290 nan 0.000 0.574 13 S N -0.435 115.329 115.700 0.107 0.000 2.522 13 S HA 0.100 4.569 4.470 -0.000 0.000 0.227 13 S C 1.654 176.197 174.600 -0.095 0.000 0.986 13 S CA 1.774 59.980 58.200 0.010 0.000 0.929 13 S CB -0.139 62.969 63.200 -0.153 0.000 0.769 13 S HN 0.476 nan 8.310 nan 0.000 0.529 14 Y N 1.407 121.796 120.300 0.149 0.000 2.490 14 Y HA 0.460 5.009 4.550 -0.000 0.000 0.285 14 Y C 0.997 176.853 175.900 -0.073 0.000 1.117 14 Y CA 0.020 58.132 58.100 0.019 0.000 1.262 14 Y CB 0.210 38.585 38.460 -0.142 0.000 1.043 14 Y HN 0.201 nan 8.280 nan 0.000 0.553 15 A N -0.220 122.635 122.820 0.058 0.000 2.408 15 A HA 0.700 5.019 4.320 -0.000 0.000 0.295 15 A C -1.757 175.820 177.584 -0.010 0.000 1.040 15 A CA -0.547 51.466 52.037 -0.040 0.000 0.707 15 A CB 0.586 19.672 19.000 0.143 0.000 1.235 15 A HN 0.229 nan 8.150 nan 0.000 0.418 16 Y N -0.271 119.971 120.300 -0.097 0.000 2.592 16 Y HA 0.789 5.339 4.550 -0.000 0.000 0.334 16 Y C -3.509 172.263 175.900 -0.214 0.000 1.136 16 Y CA -3.035 54.990 58.100 -0.124 0.000 1.042 16 Y CB 0.845 39.308 38.460 0.004 0.000 1.325 16 Y HN 0.373 nan 8.280 nan 0.000 0.457 17 P HA 0.375 nan 4.420 nan 0.000 0.286 17 P C 0.674 177.990 177.300 0.027 0.000 1.269 17 P CA -0.485 62.539 63.100 -0.126 0.000 0.787 17 P CB 1.211 32.863 31.700 -0.080 0.000 0.920 18 I N 0.088 120.640 120.570 -0.029 0.000 3.427 18 I HA 0.179 4.348 4.170 -0.000 0.000 0.288 18 I C 0.476 176.588 176.117 -0.008 0.000 1.249 18 I CA 0.289 61.602 61.300 0.021 0.000 1.421 18 I CB 0.103 38.106 38.000 0.006 0.000 1.086 18 I HN 0.274 nan 8.210 nan 0.000 0.448 19 S N -0.278 115.400 115.700 -0.037 0.000 2.671 19 S HA 0.341 4.811 4.470 -0.000 0.000 0.277 19 S C 0.412 174.983 174.600 -0.049 0.000 1.165 19 S CA -0.593 57.586 58.200 -0.035 0.000 0.822 19 S CB 1.710 64.883 63.200 -0.044 0.000 1.150 19 S HN 0.225 nan 8.310 nan 0.000 0.479 20 E N 0.580 120.756 120.200 -0.039 0.000 2.070 20 E HA -0.132 4.217 4.350 -0.000 0.000 0.197 20 E C 1.010 177.545 176.600 -0.107 0.000 1.004 20 E CA 2.024 58.386 56.400 -0.064 0.000 0.805 20 E CB -0.300 29.375 29.700 -0.042 0.000 0.744 20 E HN 0.836 nan 8.360 nan 0.000 0.451 21 T N -1.366 113.137 114.554 -0.087 0.000 3.244 21 T HA 0.194 4.544 4.350 -0.000 0.000 0.254 21 T C 0.072 174.705 174.700 -0.112 0.000 1.024 21 T CA -0.279 61.765 62.100 -0.093 0.000 0.920 21 T CB 0.160 68.994 68.868 -0.058 0.000 1.042 21 T HN -0.044 nan 8.240 nan 0.000 0.572 22 Q N 0.824 120.540 119.800 -0.140 0.000 2.268 22 Q HA 0.616 4.955 4.340 -0.000 0.000 0.266 22 Q C -1.864 173.997 176.000 -0.232 0.000 1.006 22 Q CA -0.916 54.786 55.803 -0.168 0.000 0.824 22 Q CB 2.853 31.519 28.738 -0.120 0.000 1.306 22 Q HN 0.289 nan 8.270 nan 0.000 0.424 23 L N 1.519 122.552 121.223 -0.317 0.000 2.319 23 L HA 0.709 5.048 4.340 -0.000 0.000 0.267 23 L C -1.326 175.294 176.870 -0.416 0.000 1.011 23 L CA -0.420 54.173 54.840 -0.411 0.000 0.818 23 L CB 2.007 43.777 42.059 -0.481 0.000 1.316 23 L HN 0.632 nan 8.230 nan 0.000 0.432 24 R N 2.665 122.862 120.500 -0.506 0.000 2.532 24 R HA 0.759 5.099 4.340 -0.000 0.000 0.297 24 R C -1.857 174.165 176.300 -0.463 0.000 0.984 24 R CA -0.645 55.169 56.100 -0.477 0.000 0.884 24 R CB 1.639 31.603 30.300 -0.560 0.000 1.182 24 R HN 0.606 nan 8.270 nan 0.000 0.442 25 V N 1.189 120.963 119.914 -0.234 0.000 2.604 25 V HA 0.720 4.840 4.120 -0.000 0.000 0.305 25 V C -0.492 175.700 176.094 0.165 0.000 1.043 25 V CA -1.016 61.300 62.300 0.027 0.000 0.888 25 V CB 1.739 33.547 31.823 -0.026 0.000 0.995 25 V HN 0.777 nan 8.190 nan 0.000 0.429 26 R N 2.566 123.269 120.500 0.339 0.000 2.854 26 R HA 0.939 5.278 4.340 -0.000 0.000 0.271 26 R C -1.448 175.213 176.300 0.601 0.000 0.996 26 R CA -0.694 55.638 56.100 0.385 0.000 0.961 26 R CB 2.117 32.569 30.300 0.253 0.000 1.182 26 R HN 0.962 nan 8.270 nan 0.000 0.479 27 L N 1.797 123.309 121.223 0.482 0.000 2.465 27 L HA 0.656 4.996 4.340 -0.000 0.000 0.257 27 L C -1.536 175.616 176.870 0.471 0.000 0.988 27 L CA -0.655 54.380 54.840 0.326 0.000 0.827 27 L CB 1.839 43.815 42.059 -0.137 0.000 1.397 27 L HN 0.787 nan 8.230 nan 0.000 0.410 28 R N 3.374 124.069 120.500 0.325 0.000 2.854 28 R HA 1.006 5.346 4.340 -0.000 0.000 0.271 28 R C -1.577 174.858 176.300 0.225 0.000 0.994 28 R CA -0.648 55.596 56.100 0.241 0.000 0.945 28 R CB 2.016 32.299 30.300 -0.027 0.000 1.194 28 R HN 0.724 nan 8.270 nan 0.000 0.476 29 A N 1.423 124.409 122.820 0.278 0.000 2.587 29 A HA 0.449 4.768 4.320 -0.000 0.000 0.293 29 A C -1.116 176.613 177.584 0.242 0.000 1.087 29 A CA -1.027 51.161 52.037 0.251 0.000 0.692 29 A CB 1.584 20.754 19.000 0.284 0.000 1.291 29 A HN 0.842 nan 8.150 nan 0.000 0.407 30 K N 1.163 121.619 120.400 0.093 0.000 2.559 30 K HA -0.005 4.315 4.320 -0.000 0.000 0.279 30 K C -0.140 176.405 176.600 -0.092 0.000 0.967 30 K CA 0.190 56.402 56.287 -0.125 0.000 1.000 30 K CB 0.364 32.781 32.500 -0.139 0.000 0.890 30 K HN 0.540 nan 8.250 nan 0.000 0.501 31 K N 2.227 122.527 120.400 -0.167 0.000 2.405 31 K HA -0.096 4.224 4.320 -0.000 0.000 0.276 31 K C 0.626 177.188 176.600 -0.063 0.000 1.099 31 K CA 1.369 57.590 56.287 -0.109 0.000 1.120 31 K CB -0.090 32.334 32.500 -0.127 0.000 0.877 31 K HN 0.957 nan 8.250 nan 0.000 0.472 32 G N 3.976 112.764 108.800 -0.021 0.000 2.259 32 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 32 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 32 G C 0.662 175.579 174.900 0.028 0.000 1.001 32 G CA 0.136 45.236 45.100 0.000 0.000 0.627 32 G HN 0.606 nan 8.290 nan 0.000 0.501 33 D N 0.180 120.598 120.400 0.030 0.000 2.162 33 D HA 0.201 4.840 4.640 -0.000 0.000 0.203 33 D C 1.378 177.714 176.300 0.060 0.000 0.967 33 D CA 1.055 55.069 54.000 0.023 0.000 0.840 33 D CB 0.184 40.980 40.800 -0.007 0.000 0.972 33 D HN 0.373 nan 8.370 nan 0.000 0.482 34 V N 1.219 121.220 119.914 0.144 0.000 2.383 34 V HA 0.137 4.256 4.120 -0.000 0.000 0.275 34 V C 1.030 177.288 176.094 0.273 0.000 1.036 34 V CA -0.221 62.170 62.300 0.152 0.000 0.889 34 V CB 2.181 34.029 31.823 0.042 0.000 0.985 34 V HN -0.147 nan 8.190 nan 0.000 0.459 35 V N 5.284 125.290 119.914 0.153 0.000 3.643 35 V HA 0.343 4.462 4.120 -0.000 0.000 0.280 35 V C 0.684 176.874 176.094 0.160 0.000 1.351 35 V CA 0.509 62.912 62.300 0.171 0.000 1.073 35 V CB 0.111 31.990 31.823 0.093 0.000 0.863 35 V HN 0.811 nan 8.190 nan 0.000 0.436 36 R N -0.063 120.475 120.500 0.063 0.000 2.523 36 R HA 0.369 4.709 4.340 -0.000 0.000 0.278 36 R C -1.835 174.393 176.300 -0.121 0.000 1.150 36 R CA -0.236 55.876 56.100 0.021 0.000 0.987 36 R CB 1.380 31.695 30.300 0.026 0.000 1.232 36 R HN 0.247 nan 8.270 nan 0.000 0.424 37 C N 3.472 122.657 119.300 -0.192 0.000 2.455 37 C HA 0.712 5.172 4.460 -0.000 0.000 0.320 37 C C -0.823 174.151 174.990 -0.027 0.000 1.226 37 C CA -0.174 58.699 59.018 -0.242 0.000 1.569 37 C CB 1.411 28.749 27.740 -0.671 0.000 2.200 37 C HN 0.999 nan 8.230 nan 0.000 0.491 38 E N 4.059 124.290 120.200 0.052 0.000 2.291 38 E HA 0.562 4.911 4.350 -0.000 0.000 0.276 38 E C -1.604 175.061 176.600 0.110 0.000 0.896 38 E CA -0.432 56.009 56.400 0.068 0.000 0.774 38 E CB 2.085 31.784 29.700 -0.002 0.000 1.227 38 E HN 0.668 nan 8.360 nan 0.000 0.413 39 V N 5.073 125.062 119.914 0.125 0.000 2.539 39 V HA 0.439 4.559 4.120 -0.000 0.000 0.292 39 V C -0.086 176.089 176.094 0.135 0.000 1.045 39 V CA -0.517 61.820 62.300 0.062 0.000 0.945 39 V CB 1.146 32.967 31.823 -0.002 0.000 0.993 39 V HN 0.565 nan 8.190 nan 0.000 0.464 40 L N 6.170 127.453 121.223 0.100 0.000 2.356 40 L HA 0.715 5.054 4.340 -0.000 0.000 0.277 40 L C -0.877 176.052 176.870 0.098 0.000 0.996 40 L CA -0.582 54.326 54.840 0.113 0.000 0.822 40 L CB 1.464 43.584 42.059 0.103 0.000 1.256 40 L HN 0.818 nan 8.230 nan 0.000 0.413 41 Y N 1.919 122.200 120.300 -0.030 0.000 2.638 41 Y HA 0.952 5.502 4.550 0.000 0.000 0.335 41 Y C -1.039 174.838 175.900 -0.038 0.000 1.155 41 Y CA -1.032 57.067 58.100 -0.003 0.000 1.046 41 Y CB 1.676 40.138 38.460 0.002 0.000 1.303 41 Y HN 0.673 nan 8.280 nan 0.000 0.460 42 A N 0.929 123.773 122.820 0.041 0.000 2.581 42 A HA 0.489 4.809 4.320 -0.000 0.000 0.290 42 A C -1.745 175.884 177.584 0.076 0.000 1.119 42 A CA -0.628 51.377 52.037 -0.053 0.000 0.670 42 A CB 1.156 20.105 19.000 -0.085 0.000 1.280 42 A HN 0.847 nan 8.150 nan 0.000 0.425 43 D N -0.218 120.208 120.400 0.042 0.000 2.382 43 D HA 0.134 4.773 4.640 -0.000 0.000 0.240 43 D C 1.050 177.334 176.300 -0.027 0.000 1.146 43 D CA -0.080 53.950 54.000 0.049 0.000 0.897 43 D CB 0.705 41.547 40.800 0.071 0.000 1.197 43 D HN 0.453 nan 8.370 nan 0.000 0.432 44 R N 2.202 122.629 120.500 -0.123 0.000 2.341 44 R HA -0.152 4.187 4.340 -0.000 0.000 0.213 44 R C 0.670 176.610 176.300 -0.600 0.000 1.082 44 R CA 0.962 56.854 56.100 -0.347 0.000 1.017 44 R CB -0.062 29.971 30.300 -0.445 0.000 0.860 44 R HN 0.586 nan 8.270 nan 0.000 0.473 45 Y N -0.637 119.679 120.300 0.027 0.000 2.445 45 Y HA 0.325 4.874 4.550 -0.001 0.000 0.247 45 Y C 0.950 176.852 175.900 0.003 0.000 1.129 45 Y CA -0.537 57.571 58.100 0.013 0.000 1.251 45 Y CB 0.378 38.846 38.460 0.014 0.000 1.176 45 Y HN -0.089 nan 8.280 nan 0.000 0.522 46 A N 1.620 124.476 122.820 0.060 0.000 2.548 46 A HA 0.251 4.571 4.320 -0.000 0.000 0.247 46 A C 0.735 178.330 177.584 0.018 0.000 1.067 46 A CA 0.145 52.205 52.037 0.038 0.000 0.757 46 A CB -0.267 18.734 19.000 0.001 0.000 0.996 46 A HN 0.374 nan 8.150 nan 0.000 0.504 47 S N 3.038 118.751 115.700 0.022 0.000 2.580 47 S HA 0.382 4.852 4.470 -0.000 0.000 0.274 47 S C -1.807 172.791 174.600 -0.003 0.000 1.329 47 S CA -0.857 57.351 58.200 0.014 0.000 1.036 47 S CB 0.701 63.910 63.200 0.015 0.000 0.919 47 S HN 0.478 nan 8.310 nan 0.000 0.515 48 P HA -0.131 nan 4.420 nan 0.000 0.216 48 P C 0.888 178.179 177.300 -0.015 0.000 1.157 48 P CA 1.272 64.364 63.100 -0.014 0.000 0.880 48 P CB -0.071 31.621 31.700 -0.014 0.000 0.791 49 E N -0.427 119.766 120.200 -0.011 0.000 2.501 49 E HA -0.127 4.223 4.350 -0.000 0.000 0.203 49 E C 0.139 176.729 176.600 -0.015 0.000 1.072 49 E CA 0.721 57.115 56.400 -0.011 0.000 0.885 49 E CB -0.736 28.959 29.700 -0.008 0.000 0.813 49 E HN 0.539 nan 8.360 nan 0.000 0.556 50 E N 0.922 121.109 120.200 -0.022 0.000 2.283 50 E HA 0.112 4.462 4.350 -0.000 0.000 0.278 50 E C -0.046 176.525 176.600 -0.049 0.000 1.027 50 E CA -0.492 55.887 56.400 -0.035 0.000 0.843 50 E CB 0.905 30.582 29.700 -0.039 0.000 1.062 50 E HN -0.008 nan 8.360 nan 0.000 0.401 51 E N 1.953 122.119 120.200 -0.057 0.000 2.390 51 E HA 0.129 4.479 4.350 -0.000 0.000 0.261 51 E C -0.348 176.154 176.600 -0.163 0.000 1.076 51 E CA -0.145 56.209 56.400 -0.076 0.000 0.905 51 E CB 0.784 30.457 29.700 -0.044 0.000 0.984 51 E HN 0.313 nan 8.360 nan 0.000 0.427 52 L N 1.059 122.140 121.223 -0.237 0.000 2.469 52 L HA 0.407 4.747 4.340 -0.000 0.000 0.253 52 L C 0.641 177.143 176.870 -0.613 0.000 1.143 52 L CA -0.466 54.160 54.840 -0.357 0.000 0.804 52 L CB 0.514 42.396 42.059 -0.295 0.000 1.214 52 L HN 0.463 nan 8.230 nan 0.000 0.476 53 A N -0.774 121.622 122.820 -0.706 0.000 2.252 53 A HA 0.684 5.004 4.320 -0.000 0.000 0.305 53 A C -0.744 176.400 177.584 -0.734 0.000 1.097 53 A CA -0.323 51.269 52.037 -0.742 0.000 0.849 53 A CB 0.394 18.929 19.000 -0.775 0.000 1.142 53 A HN 0.691 nan 8.150 nan 0.000 0.499 54 H N -1.044 117.932 119.070 -0.156 0.000 2.930 54 H HA 0.707 5.263 4.556 -0.001 0.000 0.371 54 H C -0.871 174.511 175.328 0.089 0.000 1.169 54 H CA -0.023 56.013 56.048 -0.020 0.000 1.157 54 H CB 2.039 31.791 29.762 -0.017 0.000 1.789 54 H HN 0.989 nan 8.280 nan 0.000 0.547 55 A N 2.665 125.639 122.820 0.257 0.000 2.480 55 A HA 0.341 4.661 4.320 -0.000 0.000 0.289 55 A C -1.459 176.201 177.584 0.127 0.000 1.044 55 A CA -0.590 51.554 52.037 0.178 0.000 0.761 55 A CB 1.244 20.350 19.000 0.177 0.000 1.289 55 A HN 0.431 nan 8.150 nan 0.000 0.401 56 L N 2.656 123.937 121.223 0.097 0.000 2.360 56 L HA 0.639 4.978 4.340 -0.000 0.000 0.276 56 L C 0.634 177.566 176.870 0.104 0.000 1.121 56 L CA 0.444 55.337 54.840 0.088 0.000 0.845 56 L CB 1.083 43.184 42.059 0.069 0.000 1.143 56 L HN 0.925 nan 8.230 nan 0.000 0.452 57 A N 4.537 127.434 122.820 0.128 0.000 2.309 57 A HA 0.634 4.954 4.320 -0.000 0.000 0.290 57 A C 0.481 178.200 177.584 0.225 0.000 1.206 57 A CA 0.037 52.175 52.037 0.168 0.000 0.850 57 A CB -0.040 19.075 19.000 0.191 0.000 1.118 57 A HN 0.889 nan 8.150 nan 0.000 0.523 58 G N 1.126 110.047 108.800 0.200 0.000 2.599 58 G HA2 0.413 4.373 3.960 -0.000 0.000 0.264 58 G HA3 0.413 4.373 3.960 -0.000 0.000 0.264 58 G C 0.016 175.067 174.900 0.251 0.000 1.200 58 G CA -0.651 44.569 45.100 0.199 0.000 0.896 58 G HN 0.828 nan 8.290 nan 0.000 0.536 59 K N 0.139 120.630 120.400 0.152 0.000 2.316 59 K HA 0.436 4.756 4.320 -0.000 0.000 0.289 59 K C 0.736 177.343 176.600 0.013 0.000 1.070 59 K CA -0.160 56.104 56.287 -0.039 0.000 0.928 59 K CB 0.755 33.176 32.500 -0.131 0.000 1.039 59 K HN 0.368 nan 8.250 nan 0.000 0.480 60 A N 3.634 126.472 122.820 0.030 0.000 2.345 60 A HA 0.370 4.689 4.320 -0.000 0.000 0.225 60 A C 0.431 178.052 177.584 0.062 0.000 1.243 60 A CA 0.381 52.451 52.037 0.055 0.000 0.875 60 A CB 0.036 19.075 19.000 0.064 0.000 0.929 60 A HN 0.889 nan 8.150 nan 0.000 0.502 61 G N -1.770 107.073 108.800 0.071 0.000 2.321 61 G HA2 0.409 4.369 3.960 -0.000 0.000 0.339 61 G HA3 0.409 4.369 3.960 -0.000 0.000 0.339 61 G C -1.038 173.967 174.900 0.175 0.000 1.518 61 G CA -0.195 44.977 45.100 0.119 0.000 0.994 61 G HN 0.653 nan 8.290 nan 0.000 0.668 62 S N 1.001 116.790 115.700 0.148 0.000 2.668 62 S HA 0.643 5.113 4.470 -0.000 0.000 0.277 62 S C -0.623 174.043 174.600 0.109 0.000 1.170 62 S CA -0.709 57.541 58.200 0.082 0.000 0.994 62 S CB 1.904 65.099 63.200 -0.007 0.000 1.051 62 S HN 1.060 nan 8.310 nan 0.000 0.484 63 D N 1.444 121.931 120.400 0.145 0.000 2.549 63 D HA 0.238 4.877 4.640 -0.000 0.000 0.270 63 D C 1.247 177.563 176.300 0.027 0.000 1.181 63 D CA -0.716 53.354 54.000 0.116 0.000 1.070 63 D CB 0.207 41.145 40.800 0.231 0.000 1.154 63 D HN 0.580 nan 8.370 nan 0.000 0.602 64 E N 0.529 120.733 120.200 0.006 0.000 2.181 64 E HA -0.355 3.995 4.350 -0.000 0.000 0.225 64 E C 1.681 178.224 176.600 -0.096 0.000 1.073 64 E CA 1.543 57.921 56.400 -0.037 0.000 0.916 64 E CB -0.370 29.314 29.700 -0.027 0.000 0.793 64 E HN 0.436 nan 8.360 nan 0.000 0.472 65 R N -0.691 119.722 120.500 -0.144 0.000 2.195 65 R HA 0.255 4.595 4.340 -0.000 0.000 0.197 65 R C 0.185 176.174 176.300 -0.518 0.000 0.990 65 R CA 0.016 55.886 56.100 -0.384 0.000 1.048 65 R CB 0.433 30.400 30.300 -0.556 0.000 0.997 65 R HN 0.058 nan 8.270 nan 0.000 0.502 66 F N 0.711 120.536 119.950 -0.209 0.000 2.556 66 F HA 0.310 4.837 4.527 -0.001 0.000 0.327 66 F C -0.009 175.548 175.800 -0.404 0.000 1.059 66 F CA -1.178 56.623 58.000 -0.332 0.000 0.953 66 F CB 1.297 39.979 39.000 -0.531 0.000 1.227 66 F HN -0.274 nan 8.300 nan 0.000 0.478 67 D N 0.858 121.163 120.400 -0.159 0.000 2.177 67 D HA 0.233 4.873 4.640 -0.000 0.000 0.247 67 D C -1.217 174.877 176.300 -0.343 0.000 1.063 67 D CA -0.055 53.787 54.000 -0.263 0.000 0.867 67 D CB 1.214 41.822 40.800 -0.321 0.000 1.168 67 D HN 0.348 nan 8.370 nan 0.000 0.445 68 Y N 1.268 121.477 120.300 -0.151 0.000 2.328 68 Y HA 0.366 4.915 4.550 -0.000 0.000 0.336 68 Y C -0.170 175.641 175.900 -0.147 0.000 0.960 68 Y CA -0.905 57.185 58.100 -0.016 0.000 1.134 68 Y CB 0.895 39.386 38.460 0.051 0.000 1.166 68 Y HN 0.172 nan 8.280 nan 0.000 0.464 69 F N 1.488 121.589 119.950 0.251 0.000 2.432 69 F HA 0.531 5.058 4.527 -0.000 0.000 0.329 69 F C 0.040 175.937 175.800 0.162 0.000 1.076 69 F CA -0.952 57.148 58.000 0.167 0.000 1.018 69 F CB 1.602 40.668 39.000 0.110 0.000 1.201 69 F HN 0.358 nan 8.300 nan 0.000 0.489 70 E N 1.459 121.836 120.200 0.295 0.000 2.278 70 E HA 0.707 5.057 4.350 -0.000 0.000 0.272 70 E C -1.797 174.884 176.600 0.136 0.000 0.890 70 E CA -0.692 55.818 56.400 0.185 0.000 0.770 70 E CB 1.727 31.499 29.700 0.119 0.000 1.212 70 E HN 0.793 nan 8.360 nan 0.000 0.415 71 A N 3.511 126.385 122.820 0.091 0.000 2.386 71 A HA 0.750 5.070 4.320 -0.000 0.000 0.308 71 A C -1.656 175.889 177.584 -0.065 0.000 1.128 71 A CA -0.763 51.295 52.037 0.035 0.000 0.789 71 A CB 1.435 20.467 19.000 0.054 0.000 1.325 71 A HN 0.502 nan 8.150 nan 0.000 0.437 72 L N 1.323 122.495 121.223 -0.085 0.000 2.342 72 L HA 0.570 4.910 4.340 -0.000 0.000 0.276 72 L C -1.379 175.360 176.870 -0.219 0.000 0.997 72 L CA -0.147 54.603 54.840 -0.150 0.000 0.838 72 L CB 0.936 42.938 42.059 -0.094 0.000 1.224 72 L HN 0.558 nan 8.230 nan 0.000 0.416 73 L N 5.152 126.146 121.223 -0.382 0.000 2.262 73 L HA 0.452 4.792 4.340 -0.000 0.000 0.288 73 L C -0.021 176.532 176.870 -0.528 0.000 1.035 73 L CA -0.771 53.668 54.840 -0.669 0.000 0.820 73 L CB 0.974 42.405 42.059 -1.046 0.000 1.204 73 L HN 0.509 nan 8.230 nan 0.000 0.424 74 E N 2.439 122.464 120.200 -0.293 0.000 2.366 74 E HA 0.094 4.444 4.350 -0.000 0.000 0.266 74 E C -0.711 175.831 176.600 -0.097 0.000 1.015 74 E CA -0.005 56.324 56.400 -0.118 0.000 0.906 74 E CB 1.260 30.975 29.700 0.025 0.000 0.979 74 E HN 0.499 nan 8.360 nan 0.000 0.443 75 C N 3.172 122.406 119.300 -0.111 0.000 2.492 75 C HA 0.118 4.578 4.460 -0.000 0.000 0.284 75 C C 1.879 176.849 174.990 -0.033 0.000 1.082 75 C CA -0.605 58.384 59.018 -0.048 0.000 1.555 75 C CB -0.666 26.999 27.740 -0.124 0.000 1.798 75 C HN 0.796 nan 8.230 nan 0.000 0.413 76 S N 1.584 117.290 115.700 0.010 0.000 2.370 76 S HA -0.205 4.264 4.470 -0.000 0.000 0.226 76 S C 1.730 176.331 174.600 0.003 0.000 1.033 76 S CA 2.260 60.462 58.200 0.004 0.000 1.011 76 S CB -0.803 62.409 63.200 0.020 0.000 0.852 76 S HN 0.832 nan 8.310 nan 0.000 0.457 77 T N -0.663 113.904 114.554 0.021 0.000 3.163 77 T HA 0.147 4.497 4.350 -0.000 0.000 0.260 77 T C 0.589 175.288 174.700 -0.001 0.000 1.156 77 T CA 0.597 62.719 62.100 0.037 0.000 1.072 77 T CB -0.942 67.970 68.868 0.074 0.000 0.937 77 T HN 0.601 nan 8.240 nan 0.000 0.528 78 K N -0.077 120.276 120.400 -0.077 0.000 3.069 78 K HA -0.180 4.140 4.320 -0.000 0.000 0.267 78 K C -0.079 176.378 176.600 -0.239 0.000 1.082 78 K CA 0.512 56.665 56.287 -0.223 0.000 0.782 78 K CB -1.309 30.964 32.500 -0.378 0.000 1.230 78 K HN 0.517 nan 8.250 nan 0.000 0.488 79 R N -0.457 120.009 120.500 -0.057 0.000 2.604 79 R HA 0.604 4.943 4.340 -0.000 0.000 0.270 79 R C -1.751 174.582 176.300 0.054 0.000 1.052 79 R CA -0.769 55.348 56.100 0.029 0.000 0.902 79 R CB 2.747 33.111 30.300 0.105 0.000 1.233 79 R HN 0.012 nan 8.270 nan 0.000 0.455 80 V N 3.377 123.347 119.914 0.094 0.000 2.752 80 V HA 0.485 4.604 4.120 -0.000 0.000 0.302 80 V C -1.664 174.548 176.094 0.196 0.000 1.133 80 V CA -0.653 61.738 62.300 0.152 0.000 0.919 80 V CB 1.844 33.712 31.823 0.074 0.000 1.026 80 V HN 0.782 nan 8.190 nan 0.000 0.429 81 K N 6.220 126.712 120.400 0.152 0.000 2.156 81 K HA 0.876 5.196 4.320 -0.000 0.000 0.250 81 K C -1.281 175.409 176.600 0.149 0.000 0.955 81 K CA -0.630 55.690 56.287 0.055 0.000 0.855 81 K CB 1.964 34.435 32.500 -0.050 0.000 1.101 81 K HN 0.837 nan 8.250 nan 0.000 0.434 82 Y N -2.157 118.126 120.300 -0.028 0.000 2.624 82 Y HA 0.652 5.202 4.550 -0.001 0.000 0.334 82 Y C -1.718 174.074 175.900 -0.179 0.000 1.155 82 Y CA -1.469 56.580 58.100 -0.086 0.000 1.046 82 Y CB 1.245 39.624 38.460 -0.134 0.000 1.316 82 Y HN 0.413 nan 8.280 nan 0.000 0.457 83 V N 2.252 122.069 119.914 -0.162 0.000 2.962 83 V HA 0.645 4.765 4.120 -0.000 0.000 0.313 83 V C -1.656 174.274 176.094 -0.273 0.000 1.099 83 V CA -1.263 60.901 62.300 -0.227 0.000 0.971 83 V CB 2.053 33.847 31.823 -0.049 0.000 1.028 83 V HN 0.703 nan 8.190 nan 0.000 0.430 84 F N 5.376 125.368 119.950 0.069 0.000 2.404 84 F HA 0.555 5.081 4.527 -0.001 0.000 0.345 84 F C -0.031 175.699 175.800 -0.117 0.000 1.110 84 F CA -0.505 57.520 58.000 0.043 0.000 1.130 84 F CB 1.630 40.717 39.000 0.145 0.000 1.129 84 F HN 0.352 nan 8.300 nan 0.000 0.500 85 L N 5.699 126.847 121.223 -0.126 0.000 2.260 85 L HA 0.503 4.843 4.340 -0.000 0.000 0.289 85 L C -1.078 175.720 176.870 -0.119 0.000 1.057 85 L CA -0.293 54.308 54.840 -0.399 0.000 0.811 85 L CB 0.180 41.912 42.059 -0.546 0.000 1.184 85 L HN 0.476 nan 8.230 nan 0.000 0.429 86 L N 4.697 125.889 121.223 -0.051 0.000 2.334 86 L HA 0.711 5.050 4.340 -0.000 0.000 0.275 86 L C 0.030 176.876 176.870 -0.040 0.000 1.036 86 L CA -0.417 54.398 54.840 -0.041 0.000 0.807 86 L CB 1.836 43.904 42.059 0.015 0.000 1.231 86 L HN 0.587 nan 8.230 nan 0.000 0.438 87 T N 0.420 114.947 114.554 -0.046 0.000 2.886 87 T HA 0.538 4.888 4.350 -0.000 0.000 0.292 87 T C 0.183 174.882 174.700 -0.002 0.000 1.012 87 T CA -0.618 61.474 62.100 -0.012 0.000 0.982 87 T CB 1.890 70.754 68.868 -0.007 0.000 1.018 87 T HN 0.746 nan 8.240 nan 0.000 0.451 88 G N 1.617 110.422 108.800 0.007 0.000 2.525 88 G HA2 0.497 4.457 3.960 -0.000 0.000 0.287 88 G HA3 0.497 4.457 3.960 -0.000 0.000 0.287 88 G C -1.799 173.114 174.900 0.021 0.000 1.350 88 G CA -1.398 43.708 45.100 0.011 0.000 1.039 88 G HN 0.465 nan 8.290 nan 0.000 0.513 89 P HA 0.046 nan 4.420 nan 0.000 0.222 89 P C 1.243 178.551 177.300 0.014 0.000 1.157 89 P CA 0.764 63.877 63.100 0.021 0.000 0.816 89 P CB 0.343 32.054 31.700 0.018 0.000 0.813 90 Q N -0.416 119.389 119.800 0.008 0.000 2.322 90 Q HA 0.240 4.579 4.340 -0.000 0.000 0.203 90 Q C 0.841 176.846 176.000 0.009 0.000 0.923 90 Q CA 0.594 56.401 55.803 0.006 0.000 0.949 90 Q CB -0.710 28.029 28.738 0.001 0.000 1.039 90 Q HN 0.221 nan 8.270 nan 0.000 0.496 91 G N 0.389 109.196 108.800 0.013 0.000 2.234 91 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.235 91 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.235 91 G C -0.438 174.474 174.900 0.019 0.000 0.997 91 G CA 0.072 45.181 45.100 0.016 0.000 0.623 91 G HN 0.477 nan 8.290 nan 0.000 0.514 92 E N 1.042 121.253 120.200 0.017 0.000 2.558 92 E HA 0.489 4.838 4.350 -0.000 0.000 0.255 92 E C 0.563 177.185 176.600 0.037 0.000 0.968 92 E CA 0.851 57.266 56.400 0.025 0.000 0.939 92 E CB 0.660 30.369 29.700 0.015 0.000 0.921 92 E HN 1.050 nan 8.360 nan 0.000 0.477 93 A N 3.005 125.862 122.820 0.062 0.000 2.324 93 A HA 0.669 4.989 4.320 -0.000 0.000 0.330 93 A C -0.478 177.193 177.584 0.144 0.000 1.165 93 A CA -0.665 51.420 52.037 0.081 0.000 0.813 93 A CB 1.024 20.088 19.000 0.106 0.000 1.197 93 A HN 0.388 nan 8.150 nan 0.000 0.484 94 V N 0.644 120.657 119.914 0.166 0.000 3.158 94 V HA 0.568 4.688 4.120 -0.000 0.000 0.311 94 V C -1.483 174.851 176.094 0.399 0.000 1.181 94 V CA -0.519 61.949 62.300 0.281 0.000 1.054 94 V CB 2.084 34.024 31.823 0.194 0.000 1.085 94 V HN 0.802 nan 8.190 nan 0.000 0.446 95 Y N 0.975 121.393 120.300 0.196 0.000 2.425 95 Y HA 0.632 5.182 4.550 -0.000 0.000 0.344 95 Y C -0.719 175.347 175.900 0.277 0.000 0.969 95 Y CA -1.159 57.056 58.100 0.192 0.000 1.052 95 Y CB 1.998 40.515 38.460 0.094 0.000 1.215 95 Y HN 0.566 nan 8.280 nan 0.000 0.451 96 F N 2.480 122.544 119.950 0.191 0.000 2.518 96 F HA 0.860 5.387 4.527 -0.001 0.000 0.323 96 F C -0.145 175.569 175.800 -0.143 0.000 1.129 96 F CA -0.342 57.648 58.000 -0.018 0.000 0.920 96 F CB 1.323 40.458 39.000 0.224 0.000 1.160 96 F HN 0.593 nan 8.300 nan 0.000 0.440 97 G N 3.935 112.347 108.800 -0.646 0.000 2.600 97 G HA2 0.109 4.069 3.960 -0.000 0.000 0.293 97 G HA3 0.109 4.069 3.960 -0.000 0.000 0.293 97 G C -0.344 173.796 174.900 -1.267 0.000 1.408 97 G CA -0.561 43.762 45.100 -1.296 0.000 0.782 97 G HN 0.676 nan 8.290 nan 0.000 0.482 98 E N -0.987 118.441 120.200 -1.288 0.000 2.187 98 E HA -0.176 4.174 4.350 -0.000 0.000 0.199 98 E C 2.278 178.645 176.600 -0.389 0.000 1.004 98 E CA 2.140 58.093 56.400 -0.745 0.000 0.813 98 E CB 0.052 29.479 29.700 -0.455 0.000 0.736 98 E HN 0.466 nan 8.360 nan 0.000 0.468 99 T N -0.806 113.554 114.554 -0.323 0.000 2.812 99 T HA 0.119 4.468 4.350 -0.000 0.000 0.264 99 T C 0.789 175.398 174.700 -0.152 0.000 1.042 99 T CA 0.887 62.875 62.100 -0.187 0.000 1.140 99 T CB 0.280 69.057 68.868 -0.152 0.000 0.870 99 T HN 0.445 nan 8.240 nan 0.000 0.445 100 G N -0.081 108.585 108.800 -0.223 0.000 2.513 100 G HA2 0.371 4.331 3.960 -0.000 0.000 0.182 100 G HA3 0.371 4.331 3.960 -0.000 0.000 0.182 100 G C -1.809 172.848 174.900 -0.404 0.000 1.190 100 G CA -1.058 43.901 45.100 -0.234 0.000 0.987 100 G HN 0.170 nan 8.290 nan 0.000 0.479 101 F N 1.105 121.124 119.950 0.114 0.000 2.422 101 F HA 0.829 5.356 4.527 -0.001 0.000 0.333 101 F C 0.752 176.596 175.800 0.072 0.000 1.095 101 F CA -0.073 57.996 58.000 0.115 0.000 1.038 101 F CB 2.289 41.322 39.000 0.055 0.000 1.156 101 F HN 0.564 nan 8.300 nan 0.000 0.483 102 S N 0.619 116.465 115.700 0.244 0.000 2.596 102 S HA 0.734 5.204 4.470 -0.000 0.000 0.270 102 S C -0.250 174.428 174.600 0.129 0.000 1.155 102 S CA -0.060 58.215 58.200 0.125 0.000 0.827 102 S CB 1.523 64.737 63.200 0.022 0.000 1.130 102 S HN 0.765 nan 8.310 nan 0.000 0.467 103 A N 1.147 123.997 122.820 0.050 0.000 2.348 103 A HA 0.434 4.754 4.320 -0.000 0.000 0.224 103 A C 0.353 177.854 177.584 -0.139 0.000 1.227 103 A CA -0.030 52.033 52.037 0.044 0.000 0.885 103 A CB -0.169 18.862 19.000 0.051 0.000 0.933 103 A HN 0.700 nan 8.150 nan 0.000 0.506 104 E N 0.127 120.198 120.200 -0.215 0.000 2.165 104 E HA 0.388 4.738 4.350 -0.000 0.000 0.266 104 E C 0.850 177.178 176.600 -0.452 0.000 0.889 104 E CA -0.617 55.614 56.400 -0.282 0.000 0.756 104 E CB 1.238 30.850 29.700 -0.148 0.000 1.131 104 E HN 0.329 nan 8.360 nan 0.000 0.411 105 R N 2.659 122.721 120.500 -0.730 0.000 2.122 105 R HA -0.209 4.131 4.340 -0.000 0.000 0.236 105 R C 1.442 177.583 176.300 -0.265 0.000 1.129 105 R CA 2.942 58.590 56.100 -0.753 0.000 0.925 105 R CB -0.652 29.406 30.300 -0.402 0.000 0.850 105 R HN 0.456 nan 8.270 nan 0.000 0.431 106 S N 0.223 115.819 115.700 -0.173 0.000 2.419 106 S HA -0.036 4.433 4.470 -0.000 0.000 0.233 106 S C 1.464 176.003 174.600 -0.102 0.000 1.016 106 S CA 1.241 59.377 58.200 -0.106 0.000 0.974 106 S CB -0.084 63.064 63.200 -0.086 0.000 0.786 106 S HN 0.299 nan 8.310 nan 0.000 0.492 107 K N 1.453 121.789 120.400 -0.107 0.000 2.418 107 K HA 0.305 4.625 4.320 -0.000 0.000 0.195 107 K C 2.054 178.606 176.600 -0.081 0.000 1.035 107 K CA 0.611 56.849 56.287 -0.082 0.000 1.003 107 K CB -0.454 32.007 32.500 -0.065 0.000 0.793 107 K HN 0.337 nan 8.250 nan 0.000 0.494 108 A N 1.403 124.175 122.820 -0.080 0.000 1.940 108 A HA 0.012 4.331 4.320 -0.000 0.000 0.219 108 A C 1.283 178.758 177.584 -0.181 0.000 1.176 108 A CA 2.002 53.987 52.037 -0.086 0.000 0.631 108 A CB -0.522 18.478 19.000 0.000 0.000 0.814 108 A HN 0.432 nan 8.150 nan 0.000 0.446 109 G N -2.837 105.864 108.800 -0.166 0.000 2.466 109 G HA2 0.118 4.078 3.960 -0.000 0.000 0.218 109 G HA3 0.118 4.078 3.960 -0.000 0.000 0.218 109 G C -0.353 174.397 174.900 -0.249 0.000 1.237 109 G CA -0.077 44.899 45.100 -0.207 0.000 0.954 109 G HN 1.468 nan 8.290 nan 0.000 0.580 110 V N 0.245 119.965 119.914 -0.324 0.000 2.852 110 V HA 0.602 4.722 4.120 -0.000 0.000 0.300 110 V C -0.466 175.375 176.094 -0.422 0.000 1.205 110 V CA -0.876 61.212 62.300 -0.354 0.000 0.940 110 V CB 1.445 33.135 31.823 -0.221 0.000 1.047 110 V HN 0.861 nan 8.190 nan 0.000 0.429 111 F N 3.730 123.352 119.950 -0.548 0.000 2.403 111 F HA 0.553 5.080 4.527 -0.000 0.000 0.320 111 F C 0.767 176.225 175.800 -0.570 0.000 1.176 111 F CA 0.022 57.666 58.000 -0.593 0.000 1.206 111 F CB 0.912 39.419 39.000 -0.823 0.000 1.235 111 F HN 0.354 nan 8.300 nan 0.000 0.565 112 Q N 1.197 120.934 119.800 -0.106 0.000 2.315 112 Q HA 0.234 4.573 4.340 -0.000 0.000 0.273 112 Q C -1.881 174.184 176.000 0.109 0.000 1.053 112 Q CA -0.889 54.891 55.803 -0.038 0.000 0.817 112 Q CB 2.975 31.679 28.738 -0.056 0.000 1.326 112 Q HN 0.625 nan 8.270 nan 0.000 0.423 113 Y N 0.983 121.347 120.300 0.107 0.000 2.491 113 Y HA 0.359 4.908 4.550 -0.001 0.000 0.334 113 Y C 0.930 176.864 175.900 0.056 0.000 0.969 113 Y CA -0.147 58.008 58.100 0.092 0.000 1.241 113 Y CB 0.884 39.405 38.460 0.101 0.000 1.105 113 Y HN 0.960 nan 8.280 nan 0.000 0.503 114 A N 5.330 128.131 122.820 -0.032 0.000 1.896 114 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 114 A C -0.162 177.544 177.584 0.204 0.000 1.206 114 A CA 2.164 54.233 52.037 0.052 0.000 0.647 114 A CB -0.582 18.416 19.000 -0.003 0.000 0.828 114 A HN 0.782 nan 8.150 nan 0.000 0.455 115 Y N -3.122 117.239 120.300 0.101 0.000 2.641 115 Y HA 0.560 5.110 4.550 -0.001 0.000 0.333 115 Y C -1.474 174.511 175.900 0.141 0.000 1.174 115 Y CA -1.166 56.960 58.100 0.043 0.000 1.057 115 Y CB 1.190 39.573 38.460 -0.129 0.000 1.322 115 Y HN 0.096 nan 8.280 nan 0.000 0.457 116 I N 5.211 125.474 120.570 -0.512 0.000 2.382 116 I HA 0.345 4.514 4.170 -0.000 0.000 0.286 116 I C -0.822 175.157 176.117 -0.230 0.000 1.002 116 I CA -0.512 60.687 61.300 -0.169 0.000 1.135 116 I CB 1.029 38.904 38.000 -0.208 0.000 1.288 116 I HN 0.534 nan 8.210 nan 0.000 0.448 117 H N 5.233 124.327 119.070 0.040 0.000 2.529 117 H HA 0.370 4.925 4.556 -0.000 0.000 0.348 117 H C 0.455 175.829 175.328 0.076 0.000 1.152 117 H CA -0.710 55.408 56.048 0.116 0.000 1.202 117 H CB 2.765 32.648 29.762 0.201 0.000 1.562 117 H HN 0.525 nan 8.280 nan 0.000 0.515 118 R N 1.196 121.817 120.500 0.201 0.000 2.153 118 R HA -0.082 4.258 4.340 -0.000 0.000 0.218 118 R C 1.461 177.831 176.300 0.116 0.000 1.072 118 R CA 1.129 57.300 56.100 0.117 0.000 0.990 118 R CB 0.072 30.427 30.300 0.092 0.000 0.889 118 R HN 0.624 nan 8.270 nan 0.000 0.452 119 S N -0.082 115.693 115.700 0.125 0.000 2.595 119 S HA -0.048 4.422 4.470 -0.000 0.000 0.235 119 S C 0.955 175.605 174.600 0.084 0.000 0.974 119 S CA 0.753 59.004 58.200 0.086 0.000 0.942 119 S CB 0.024 63.255 63.200 0.051 0.000 0.766 119 S HN 0.424 nan 8.310 nan 0.000 0.536 120 E N 0.390 120.661 120.200 0.118 0.000 2.539 120 E HA 0.198 4.548 4.350 -0.000 0.000 0.215 120 E C -0.672 176.010 176.600 0.137 0.000 0.965 120 E CA -0.147 56.324 56.400 0.118 0.000 1.019 120 E CB 0.897 30.687 29.700 0.149 0.000 1.059 120 E HN 0.305 nan 8.360 nan 0.000 0.496 121 V N 3.026 123.017 119.914 0.129 0.000 2.479 121 V HA -0.011 4.109 4.120 -0.000 0.000 0.281 121 V C 0.096 176.299 176.094 0.181 0.000 1.031 121 V CA 0.229 62.607 62.300 0.130 0.000 1.038 121 V CB -0.258 31.614 31.823 0.082 0.000 0.981 121 V HN 0.192 nan 8.190 nan 0.000 0.478 122 F N 4.710 124.666 119.950 0.010 0.000 2.502 122 F HA 0.262 4.788 4.527 -0.001 0.000 0.371 122 F C 0.467 176.248 175.800 -0.032 0.000 1.083 122 F CA -0.141 57.846 58.000 -0.022 0.000 1.174 122 F CB 0.498 39.459 39.000 -0.066 0.000 1.096 122 F HN 0.465 nan 8.300 nan 0.000 0.545 123 T N 4.103 118.757 114.554 0.167 0.000 2.847 123 T HA 0.306 4.655 4.350 -0.000 0.000 0.291 123 T C -0.426 174.233 174.700 -0.069 0.000 0.998 123 T CA -0.618 61.471 62.100 -0.018 0.000 0.967 123 T CB 1.421 70.313 68.868 0.040 0.000 0.954 123 T HN 0.676 nan 8.240 nan 0.000 0.441 124 T N 1.448 115.879 114.554 -0.206 0.000 2.912 124 T HA 0.684 5.034 4.350 -0.000 0.000 0.288 124 T C -3.017 171.566 174.700 -0.195 0.000 1.030 124 T CA -2.571 59.394 62.100 -0.226 0.000 1.020 124 T CB 1.259 69.898 68.868 -0.382 0.000 1.056 124 T HN 0.096 nan 8.240 nan 0.000 0.480 125 P HA 0.209 nan 4.420 nan 0.000 0.267 125 P C 0.965 178.117 177.300 -0.246 0.000 1.209 125 P CA -0.208 62.784 63.100 -0.179 0.000 0.763 125 P CB 0.523 32.065 31.700 -0.264 0.000 0.816 126 E N 2.871 123.022 120.200 -0.082 0.000 2.219 126 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 126 E C 1.652 178.243 176.600 -0.015 0.000 0.998 126 E CA 1.291 57.660 56.400 -0.053 0.000 0.818 126 E CB -0.219 29.484 29.700 0.005 0.000 0.741 126 E HN 0.719 nan 8.360 nan 0.000 0.477 127 W N 0.143 121.422 121.300 -0.035 0.000 2.392 127 W HA 0.034 4.693 4.660 -0.000 0.000 0.279 127 W C 1.546 178.052 176.519 -0.022 0.000 1.225 127 W CA 1.040 58.364 57.345 -0.033 0.000 1.233 127 W CB -0.589 28.854 29.460 -0.027 0.000 1.122 127 W HN -0.023 nan 8.180 nan 0.000 0.561 128 A N 1.668 124.091 122.820 -0.663 0.000 2.030 128 A HA -0.035 4.284 4.320 -0.000 0.000 0.215 128 A C 2.090 179.493 177.584 -0.301 0.000 1.164 128 A CA 0.639 52.222 52.037 -0.756 0.000 0.697 128 A CB -0.416 18.032 19.000 -0.919 0.000 0.827 128 A HN 0.068 nan 8.150 nan 0.000 0.457 129 K N 1.255 121.512 120.400 -0.238 0.000 2.144 129 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 129 K C 0.516 177.072 176.600 -0.073 0.000 1.047 129 K CA 1.608 57.808 56.287 -0.145 0.000 0.927 129 K CB -0.304 32.122 32.500 -0.123 0.000 0.716 129 K HN 0.806 nan 8.250 nan 0.000 0.454 130 E N 0.084 120.274 120.200 -0.016 0.000 3.167 130 E HA 0.425 4.775 4.350 -0.000 0.000 0.210 130 E C -0.552 176.113 176.600 0.108 0.000 1.004 130 E CA -0.355 56.066 56.400 0.035 0.000 1.256 130 E CB 0.450 30.165 29.700 0.026 0.000 1.193 130 E HN 0.086 nan 8.360 nan 0.000 0.448 131 A N 0.391 123.275 122.820 0.107 0.000 2.269 131 A HA 0.715 5.035 4.320 -0.000 0.000 0.327 131 A C -0.440 177.233 177.584 0.150 0.000 1.112 131 A CA -0.686 51.462 52.037 0.184 0.000 0.865 131 A CB 1.557 20.702 19.000 0.242 0.000 1.227 131 A HN 0.132 nan 8.150 nan 0.000 0.498 132 V N 2.160 122.166 119.914 0.153 0.000 2.569 132 V HA 0.351 4.471 4.120 -0.000 0.000 0.301 132 V C -0.809 175.310 176.094 0.042 0.000 1.044 132 V CA -0.492 61.847 62.300 0.064 0.000 0.874 132 V CB 1.288 33.158 31.823 0.080 0.000 1.002 132 V HN 0.689 nan 8.190 nan 0.000 0.424 133 I N 3.510 124.034 120.570 -0.076 0.000 2.793 133 I HA 0.493 4.663 4.170 -0.000 0.000 0.313 133 I C -0.696 175.400 176.117 -0.035 0.000 0.998 133 I CA -0.947 60.287 61.300 -0.110 0.000 1.140 133 I CB 1.378 39.128 38.000 -0.417 0.000 1.327 133 I HN 0.724 nan 8.210 nan 0.000 0.491 134 Y N 2.888 123.116 120.300 -0.120 0.000 2.329 134 Y HA 0.308 4.857 4.550 -0.000 0.000 0.328 134 Y C 0.077 175.917 175.900 -0.100 0.000 0.992 134 Y CA -0.667 57.384 58.100 -0.081 0.000 1.151 134 Y CB 1.341 39.754 38.460 -0.078 0.000 1.150 134 Y HN 0.623 nan 8.280 nan 0.000 0.450 135 Q N 6.716 126.408 119.800 -0.179 0.000 2.307 135 Q HA 0.399 4.739 4.340 -0.000 0.000 0.259 135 Q C -1.242 174.733 176.000 -0.041 0.000 0.998 135 Q CA -0.111 55.680 55.803 -0.021 0.000 0.923 135 Q CB 0.496 29.376 28.738 0.236 0.000 1.196 135 Q HN 0.739 nan 8.270 nan 0.000 0.416 136 I N 5.041 125.533 120.570 -0.131 0.000 2.321 136 I HA 0.196 4.365 4.170 -0.000 0.000 0.291 136 I C -0.600 175.530 176.117 0.022 0.000 0.998 136 I CA -0.708 60.557 61.300 -0.058 0.000 1.227 136 I CB 0.839 38.726 38.000 -0.190 0.000 1.368 136 I HN 0.660 nan 8.210 nan 0.000 0.466 137 F N 9.634 129.582 119.950 -0.004 0.000 2.377 137 F HA 0.354 4.880 4.527 -0.000 0.000 0.360 137 F C -1.805 173.931 175.800 -0.107 0.000 1.147 137 F CA -1.909 56.068 58.000 -0.037 0.000 1.170 137 F CB 0.870 39.976 39.000 0.177 0.000 1.339 137 F HN 0.335 nan 8.300 nan 0.000 0.552 138 P HA -0.224 nan 4.420 nan 0.000 0.216 138 P C 1.383 178.476 177.300 -0.345 0.000 1.153 138 P CA 1.311 64.168 63.100 -0.405 0.000 0.848 138 P CB 0.188 31.371 31.700 -0.863 0.000 0.787 139 E N -0.135 119.810 120.200 -0.426 0.000 2.147 139 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 139 E C 1.586 178.216 176.600 0.049 0.000 1.005 139 E CA 1.566 57.956 56.400 -0.016 0.000 0.810 139 E CB -0.242 29.469 29.700 0.019 0.000 0.736 139 E HN -0.059 nan 8.360 nan 0.000 0.460 140 R N -1.456 118.971 120.500 -0.120 0.000 2.397 140 R HA 0.247 4.587 4.340 -0.000 0.000 0.241 140 R C 1.298 177.493 176.300 -0.175 0.000 0.914 140 R CA 0.232 56.230 56.100 -0.171 0.000 1.071 140 R CB -0.337 29.893 30.300 -0.116 0.000 1.116 140 R HN 0.292 nan 8.270 nan 0.000 0.524 141 F N -0.074 119.784 119.950 -0.154 0.000 2.094 141 F HA 0.319 4.846 4.527 -0.000 0.000 0.291 141 F C 0.334 176.488 175.800 0.590 0.000 1.109 141 F CA 0.763 58.797 58.000 0.058 0.000 1.221 141 F CB 0.350 39.378 39.000 0.047 0.000 1.014 141 F HN -0.041 nan 8.300 nan 0.000 0.473 142 A N 0.173 123.131 122.820 0.229 0.000 2.605 142 A HA 0.425 4.744 4.320 -0.000 0.000 0.294 142 A C -1.811 175.699 177.584 -0.123 0.000 1.062 142 A CA -0.698 51.343 52.037 0.006 0.000 0.682 142 A CB 0.632 19.371 19.000 -0.436 0.000 1.278 142 A HN 0.199 nan 8.150 nan 0.000 0.410 143 N N 0.641 119.084 118.700 -0.428 0.000 2.469 143 N HA 0.521 5.261 4.740 -0.000 0.000 0.253 143 N C 0.678 176.004 175.510 -0.308 0.000 0.970 143 N CA 0.446 53.316 53.050 -0.298 0.000 0.940 143 N CB 1.580 39.821 38.487 -0.410 0.000 1.128 143 N HN 0.808 nan 8.380 nan 0.000 0.503 144 G N 1.621 110.300 108.800 -0.201 0.000 2.944 144 G HA2 0.015 3.974 3.960 -0.000 0.000 0.220 144 G HA3 0.015 3.974 3.960 -0.000 0.000 0.220 144 G C -0.259 174.554 174.900 -0.144 0.000 1.100 144 G CA -0.138 44.842 45.100 -0.200 0.000 0.780 144 G HN 0.594 nan 8.290 nan 0.000 0.539 145 D N -0.379 119.957 120.400 -0.108 0.000 2.421 145 D HA 0.424 5.063 4.640 -0.000 0.000 0.254 145 D C -1.976 174.279 176.300 -0.075 0.000 1.238 145 D CA -1.872 52.079 54.000 -0.081 0.000 0.919 145 D CB 2.181 42.950 40.800 -0.052 0.000 1.152 145 D HN -0.170 nan 8.370 nan 0.000 0.552 146 P HA -0.085 nan 4.420 nan 0.000 0.229 146 P C 0.707 177.976 177.300 -0.052 0.000 1.150 146 P CA 0.741 63.799 63.100 -0.071 0.000 0.765 146 P CB 0.312 31.967 31.700 -0.075 0.000 0.783 147 S N -0.002 115.670 115.700 -0.046 0.000 2.414 147 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 147 S C 1.659 176.235 174.600 -0.041 0.000 1.022 147 S CA 1.269 59.445 58.200 -0.040 0.000 0.958 147 S CB -1.069 62.111 63.200 -0.034 0.000 0.797 147 S HN 0.404 nan 8.310 nan 0.000 0.493 148 N N 1.969 120.648 118.700 -0.035 0.000 2.289 148 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 148 N C -0.534 174.934 175.510 -0.069 0.000 1.016 148 N CA 0.746 53.773 53.050 -0.038 0.000 0.872 148 N CB -0.866 37.617 38.487 -0.006 0.000 0.973 148 N HN 0.148 nan 8.380 nan 0.000 0.433 149 D N 1.811 122.174 120.400 -0.063 0.000 2.583 149 D HA 0.074 4.714 4.640 -0.000 0.000 0.232 149 D C -2.080 174.120 176.300 -0.167 0.000 1.128 149 D CA -0.543 53.408 54.000 -0.083 0.000 0.859 149 D CB 0.129 40.900 40.800 -0.049 0.000 1.169 149 D HN 0.259 nan 8.370 nan 0.000 0.481 150 P HA 0.128 nan 4.420 nan 0.000 0.269 150 P C -2.477 174.657 177.300 -0.277 0.000 1.215 150 P CA -0.851 61.964 63.100 -0.475 0.000 0.780 150 P CB 0.094 31.063 31.700 -1.219 0.000 0.898 151 P HA 0.128 nan 4.420 nan 0.000 0.272 151 P C 0.782 178.062 177.300 -0.033 0.000 1.223 151 P CA 0.661 63.712 63.100 -0.082 0.000 0.784 151 P CB 0.259 31.927 31.700 -0.054 0.000 0.923 152 G N 0.581 109.380 108.800 -0.001 0.000 2.148 152 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.254 152 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.254 152 G C 0.336 175.264 174.900 0.047 0.000 0.981 152 G CA 0.127 45.248 45.100 0.035 0.000 0.670 152 G HN 0.633 nan 8.290 nan 0.000 0.528 153 T N 1.419 115.990 114.554 0.027 0.000 2.923 153 T HA 0.295 4.645 4.350 -0.000 0.000 0.304 153 T C 0.788 175.461 174.700 -0.045 0.000 1.044 153 T CA 0.805 62.926 62.100 0.035 0.000 1.141 153 T CB 0.779 69.673 68.868 0.044 0.000 1.023 153 T HN 0.509 nan 8.240 nan 0.000 0.533 154 E N 1.558 121.637 120.200 -0.202 0.000 2.312 154 E HA 0.195 4.545 4.350 -0.000 0.000 0.259 154 E C 0.256 176.756 176.600 -0.168 0.000 1.122 154 E CA -0.700 55.535 56.400 -0.276 0.000 0.922 154 E CB 0.729 30.108 29.700 -0.536 0.000 1.109 154 E HN 0.544 nan 8.360 nan 0.000 0.442 155 Q N 1.023 120.785 119.800 -0.062 0.000 2.299 155 Q HA 0.027 4.367 4.340 -0.000 0.000 0.246 155 Q C -1.105 175.038 176.000 0.239 0.000 0.935 155 Q CA -0.415 55.439 55.803 0.085 0.000 0.887 155 Q CB 0.701 29.483 28.738 0.074 0.000 1.223 155 Q HN 0.546 nan 8.270 nan 0.000 0.439 156 W N 2.775 124.133 121.300 0.097 0.000 2.311 156 W HA 0.489 5.148 4.660 -0.000 0.000 0.310 156 W C -1.162 175.439 176.519 0.137 0.000 1.274 156 W CA -0.106 57.361 57.345 0.202 0.000 1.215 156 W CB 0.920 30.479 29.460 0.165 0.000 1.227 156 W HN 0.705 nan 8.180 nan 0.000 0.523 157 A N 4.859 127.830 122.820 0.251 0.000 2.612 157 A HA 0.209 4.529 4.320 -0.000 0.000 0.293 157 A C 0.506 178.120 177.584 0.049 0.000 1.075 157 A CA -0.682 51.452 52.037 0.161 0.000 0.680 157 A CB 1.743 20.817 19.000 0.124 0.000 1.279 157 A HN 0.728 nan 8.150 nan 0.000 0.411 158 K N 0.146 120.569 120.400 0.039 0.000 2.362 158 K HA -0.192 4.128 4.320 -0.000 0.000 0.202 158 K C 0.961 177.563 176.600 0.003 0.000 1.045 158 K CA 1.789 58.074 56.287 -0.004 0.000 0.936 158 K CB 0.035 32.535 32.500 -0.001 0.000 0.747 158 K HN 0.736 nan 8.250 nan 0.000 0.467 159 D N 0.809 121.226 120.400 0.029 0.000 2.178 159 D HA -0.100 4.539 4.640 -0.000 0.000 0.201 159 D C -0.046 176.275 176.300 0.036 0.000 0.980 159 D CA 0.631 54.649 54.000 0.030 0.000 0.842 159 D CB -0.116 40.709 40.800 0.042 0.000 0.948 159 D HN 0.294 nan 8.370 nan 0.000 0.472 160 A N 1.162 124.016 122.820 0.058 0.000 2.546 160 A HA 0.135 4.454 4.320 -0.000 0.000 0.243 160 A C 0.049 177.672 177.584 0.064 0.000 1.063 160 A CA 0.375 52.480 52.037 0.113 0.000 0.757 160 A CB 0.215 19.351 19.000 0.226 0.000 0.991 160 A HN 0.074 nan 8.150 nan 0.000 0.503 161 R N 3.141 123.685 120.500 0.074 0.000 2.435 161 R HA 0.422 4.762 4.340 -0.000 0.000 0.308 161 R C -2.981 173.363 176.300 0.074 0.000 0.975 161 R CA -1.658 54.467 56.100 0.041 0.000 0.867 161 R CB 0.999 31.307 30.300 0.013 0.000 1.171 161 R HN 0.482 nan 8.270 nan 0.000 0.470 162 P HA 0.354 nan 4.420 nan 0.000 0.275 162 P C -0.383 176.930 177.300 0.022 0.000 1.266 162 P CA -0.602 62.579 63.100 0.136 0.000 0.793 162 P CB 0.753 32.515 31.700 0.102 0.000 1.074 163 R N -1.422 119.077 120.500 -0.000 0.000 2.943 163 R HA 0.415 4.754 4.340 -0.000 0.000 0.246 163 R C 1.432 177.684 176.300 -0.079 0.000 1.201 163 R CA -0.543 55.505 56.100 -0.087 0.000 1.056 163 R CB -0.286 29.976 30.300 -0.063 0.000 1.243 163 R HN 0.483 nan 8.270 nan 0.000 0.498 164 H N 0.231 119.293 119.070 -0.013 0.000 2.289 164 H HA -0.159 4.397 4.556 -0.000 0.000 0.296 164 H C 0.584 175.873 175.328 -0.064 0.000 1.091 164 H CA 1.947 58.000 56.048 0.008 0.000 1.274 164 H CB 0.296 30.089 29.762 0.051 0.000 1.364 164 H HN 0.533 nan 8.280 nan 0.000 0.490 165 D N 0.415 120.828 120.400 0.022 0.000 2.323 165 D HA -0.016 4.624 4.640 -0.000 0.000 0.209 165 D C 0.316 176.355 176.300 -0.434 0.000 0.973 165 D CA 0.284 54.185 54.000 -0.164 0.000 0.874 165 D CB 0.032 40.780 40.800 -0.087 0.000 0.930 165 D HN 0.150 nan 8.370 nan 0.000 0.521 166 S N 1.230 116.779 115.700 -0.251 0.000 2.546 166 S HA 0.066 4.535 4.470 -0.000 0.000 0.290 166 S C 0.176 174.767 174.600 -0.016 0.000 1.262 166 S CA -0.152 57.984 58.200 -0.107 0.000 1.083 166 S CB -0.151 63.067 63.200 0.029 0.000 0.859 166 S HN 0.024 nan 8.310 nan 0.000 0.495 167 F N 1.653 121.661 119.950 0.097 0.000 2.375 167 F HA 0.306 4.833 4.527 -0.000 0.000 0.333 167 F C 0.943 176.899 175.800 0.260 0.000 1.104 167 F CA -0.333 57.793 58.000 0.209 0.000 1.149 167 F CB 0.661 39.739 39.000 0.129 0.000 1.190 167 F HN 0.627 nan 8.300 nan 0.000 0.533 168 Y N 0.237 120.764 120.300 0.379 0.000 2.471 168 Y HA 0.316 4.865 4.550 -0.000 0.000 0.249 168 Y C 0.950 177.133 175.900 0.471 0.000 1.116 168 Y CA -0.166 58.170 58.100 0.395 0.000 1.240 168 Y CB 0.802 39.456 38.460 0.323 0.000 1.251 168 Y HN 0.769 nan 8.280 nan 0.000 0.527 169 G N 1.186 110.298 108.800 0.521 0.000 3.413 169 G HA2 0.136 4.096 3.960 -0.000 0.000 0.556 169 G HA3 0.136 4.096 3.960 -0.000 0.000 0.556 169 G C -0.130 175.002 174.900 0.387 0.000 0.870 169 G CA -0.031 45.271 45.100 0.338 0.000 0.729 169 G HN 0.691 nan 8.290 nan 0.000 0.428 170 G N 2.075 111.083 108.800 0.347 0.000 2.766 170 G HA2 0.909 4.869 3.960 -0.000 0.000 0.297 170 G HA3 0.909 4.869 3.960 -0.000 0.000 0.297 170 G C -0.954 174.044 174.900 0.164 0.000 1.431 170 G CA 0.448 45.713 45.100 0.274 0.000 1.042 170 G HN 1.403 nan 8.290 nan 0.000 0.542 171 D N 0.490 120.920 120.400 0.050 0.000 2.615 171 D HA 0.273 4.913 4.640 -0.000 0.000 0.267 171 D C 1.171 177.424 176.300 -0.079 0.000 1.236 171 D CA -0.946 53.068 54.000 0.022 0.000 0.839 171 D CB 0.770 41.628 40.800 0.097 0.000 1.380 171 D HN 0.247 nan 8.370 nan 0.000 0.433 172 L N -0.601 120.556 121.223 -0.111 0.000 2.131 172 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 172 L C 2.239 179.066 176.870 -0.072 0.000 1.092 172 L CA 1.272 56.023 54.840 -0.148 0.000 0.759 172 L CB -0.501 41.492 42.059 -0.111 0.000 0.903 172 L HN 0.461 nan 8.230 nan 0.000 0.435 173 K N 1.011 121.383 120.400 -0.047 0.000 2.097 173 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 173 K C 1.984 178.538 176.600 -0.076 0.000 1.049 173 K CA 1.480 57.733 56.287 -0.057 0.000 0.933 173 K CB -0.573 31.895 32.500 -0.054 0.000 0.717 173 K HN 0.163 nan 8.250 nan 0.000 0.442 174 G N 0.339 109.092 108.800 -0.077 0.000 2.446 174 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 174 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 174 G C 1.512 176.371 174.900 -0.069 0.000 1.168 174 G CA 1.132 46.153 45.100 -0.132 0.000 0.771 174 G HN 0.196 nan 8.290 nan 0.000 0.551 175 V N 1.304 121.288 119.914 0.117 0.000 2.287 175 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 175 V C 2.793 178.956 176.094 0.115 0.000 1.053 175 V CA 1.625 64.109 62.300 0.307 0.000 1.027 175 V CB -0.448 31.508 31.823 0.221 0.000 0.646 175 V HN 0.403 nan 8.190 nan 0.000 0.447 176 I N 0.279 120.853 120.570 0.008 0.000 2.264 176 I HA -0.251 3.918 4.170 -0.000 0.000 0.248 176 I C 2.237 178.323 176.117 -0.052 0.000 1.111 176 I CA 1.657 62.939 61.300 -0.031 0.000 1.382 176 I CB -0.497 37.469 38.000 -0.057 0.000 1.060 176 I HN 0.351 nan 8.210 nan 0.000 0.418 177 D N 0.553 120.894 120.400 -0.098 0.000 2.123 177 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 177 D C 2.051 178.238 176.300 -0.189 0.000 0.976 177 D CA 0.958 54.861 54.000 -0.161 0.000 0.831 177 D CB -0.174 40.486 40.800 -0.234 0.000 0.974 177 D HN 0.138 nan 8.370 nan 0.000 0.469 178 R N 0.494 120.876 120.500 -0.198 0.000 2.310 178 R HA 0.198 4.538 4.340 -0.000 0.000 0.202 178 R C 2.112 178.459 176.300 0.079 0.000 0.933 178 R CA -0.133 55.850 56.100 -0.195 0.000 1.054 178 R CB -0.570 29.379 30.300 -0.586 0.000 0.985 178 R HN 0.305 nan 8.270 nan 0.000 0.489 179 L N 0.965 122.237 121.223 0.082 0.000 2.129 179 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 179 L C -0.679 176.252 176.870 0.101 0.000 1.087 179 L CA 1.588 56.483 54.840 0.091 0.000 0.757 179 L CB -1.448 40.633 42.059 0.037 0.000 0.896 179 L HN 0.069 nan 8.230 nan 0.000 0.434 180 P HA -0.163 nan 4.420 nan 0.000 0.233 180 P C 1.056 178.473 177.300 0.194 0.000 1.167 180 P CA 0.932 64.089 63.100 0.095 0.000 0.770 180 P CB 0.002 31.733 31.700 0.052 0.000 0.837 181 Y N 0.432 120.782 120.300 0.082 0.000 2.153 181 Y HA -0.077 4.473 4.550 -0.000 0.000 0.289 181 Y C 2.013 178.022 175.900 0.181 0.000 1.119 181 Y CA 1.313 59.520 58.100 0.179 0.000 1.116 181 Y CB -0.912 37.700 38.460 0.253 0.000 1.004 181 Y HN -0.281 nan 8.280 nan 0.000 0.501 182 L N 0.591 122.042 121.223 0.379 0.000 2.013 182 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 182 L C 2.588 179.463 176.870 0.009 0.000 1.073 182 L CA 2.113 57.008 54.840 0.091 0.000 0.753 182 L CB -0.773 41.283 42.059 -0.004 0.000 0.890 182 L HN 0.375 nan 8.230 nan 0.000 0.432 183 E N 0.198 120.427 120.200 0.048 0.000 2.086 183 E HA -0.326 4.024 4.350 -0.000 0.000 0.200 183 E C 2.123 178.734 176.600 0.019 0.000 1.012 183 E CA 1.893 58.310 56.400 0.029 0.000 0.812 183 E CB -0.037 29.687 29.700 0.040 0.000 0.743 183 E HN 0.481 nan 8.360 nan 0.000 0.453 184 E N 0.078 120.300 120.200 0.036 0.000 2.107 184 E HA -0.186 4.163 4.350 -0.000 0.000 0.191 184 E C 2.298 178.862 176.600 -0.059 0.000 0.982 184 E CA 0.692 57.111 56.400 0.031 0.000 0.809 184 E CB -0.087 29.680 29.700 0.111 0.000 0.756 184 E HN 0.268 nan 8.360 nan 0.000 0.459 185 L N 0.132 121.249 121.223 -0.177 0.000 2.079 185 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 185 L C 1.462 178.224 176.870 -0.179 0.000 1.081 185 L CA 2.429 57.044 54.840 -0.375 0.000 0.752 185 L CB -0.195 41.582 42.059 -0.471 0.000 0.896 185 L HN 0.351 nan 8.230 nan 0.000 0.433 186 G N -1.540 107.218 108.800 -0.070 0.000 2.154 186 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.186 186 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.186 186 G C 0.242 175.192 174.900 0.083 0.000 1.000 186 G CA 0.070 45.183 45.100 0.021 0.000 0.664 186 G HN 0.813 nan 8.290 nan 0.000 0.513 187 V N -0.679 119.260 119.914 0.042 0.000 2.999 187 V HA 0.695 4.815 4.120 -0.000 0.000 0.307 187 V C 1.220 177.353 176.094 0.066 0.000 1.084 187 V CA 1.345 63.690 62.300 0.076 0.000 1.155 187 V CB 1.250 33.122 31.823 0.081 0.000 0.975 187 V HN 1.094 nan 8.190 nan 0.000 0.490 188 T N -0.982 113.620 114.554 0.081 0.000 3.058 188 T HA 0.733 5.083 4.350 -0.000 0.000 0.278 188 T C 0.205 174.922 174.700 0.029 0.000 0.974 188 T CA 0.384 62.512 62.100 0.046 0.000 0.893 188 T CB 0.187 69.097 68.868 0.070 0.000 1.138 188 T HN 1.876 nan 8.240 nan 0.000 0.529 189 A N 0.673 123.526 122.820 0.055 0.000 2.608 189 A HA 0.726 5.046 4.320 -0.000 0.000 0.292 189 A C -2.192 175.397 177.584 0.009 0.000 1.066 189 A CA -0.758 51.297 52.037 0.030 0.000 0.676 189 A CB 1.095 20.186 19.000 0.152 0.000 1.277 189 A HN 0.186 nan 8.150 nan 0.000 0.413 190 L N 1.013 122.193 121.223 -0.071 0.000 2.342 190 L HA 0.720 5.060 4.340 -0.000 0.000 0.271 190 L C -0.873 175.802 176.870 -0.325 0.000 1.008 190 L CA -0.404 54.301 54.840 -0.224 0.000 0.818 190 L CB 1.642 43.471 42.059 -0.383 0.000 1.296 190 L HN 0.747 nan 8.230 nan 0.000 0.427 191 Y N 2.615 122.617 120.300 -0.498 0.000 2.329 191 Y HA 0.637 5.187 4.550 -0.000 0.000 0.328 191 Y C -1.636 173.953 175.900 -0.518 0.000 0.992 191 Y CA -1.529 56.357 58.100 -0.357 0.000 1.151 191 Y CB 0.912 39.270 38.460 -0.169 0.000 1.150 191 Y HN 0.342 nan 8.280 nan 0.000 0.450 192 F N 4.000 123.714 119.950 -0.393 0.000 2.394 192 F HA 0.431 4.958 4.527 -0.000 0.000 0.340 192 F C 1.113 176.498 175.800 -0.691 0.000 1.105 192 F CA -0.525 57.187 58.000 -0.481 0.000 1.124 192 F CB 1.309 40.101 39.000 -0.346 0.000 1.145 192 F HN 0.630 nan 8.300 nan 0.000 0.505 193 T N 1.903 116.174 114.554 -0.473 0.000 2.616 193 T HA 0.103 4.452 4.350 -0.000 0.000 0.327 193 T C -2.467 172.073 174.700 -0.267 0.000 1.049 193 T CA -1.275 60.645 62.100 -0.300 0.000 1.022 193 T CB -0.379 68.388 68.868 -0.168 0.000 1.009 193 T HN 0.323 nan 8.240 nan 0.000 0.535 194 P HA 0.124 nan 4.420 nan 0.000 0.266 194 P C 0.613 177.677 177.300 -0.393 0.000 1.215 194 P CA -0.003 62.815 63.100 -0.470 0.000 0.763 194 P CB 0.148 31.514 31.700 -0.557 0.000 0.806 195 I N -0.505 119.733 120.570 -0.553 0.000 3.928 195 I HA 0.244 4.413 4.170 -0.000 0.000 0.335 195 I C 0.335 176.452 176.117 -0.000 0.000 1.325 195 I CA -0.437 60.739 61.300 -0.208 0.000 1.107 195 I CB -0.438 37.339 38.000 -0.370 0.000 1.014 195 I HN -0.007 nan 8.210 nan 0.000 0.400 196 F N 2.104 121.979 119.950 -0.127 0.000 2.380 196 F HA 0.650 5.177 4.527 -0.000 0.000 0.319 196 F C 1.181 176.938 175.800 -0.071 0.000 1.113 196 F CA -1.343 56.595 58.000 -0.102 0.000 1.056 196 F CB 0.829 39.766 39.000 -0.104 0.000 1.289 196 F HN -0.063 nan 8.300 nan 0.000 0.515 197 A N 1.618 124.546 122.820 0.180 0.000 2.454 197 A HA 0.442 4.762 4.320 -0.000 0.000 0.260 197 A C -0.147 177.463 177.584 0.043 0.000 1.106 197 A CA 0.101 52.181 52.037 0.072 0.000 0.780 197 A CB 0.216 19.274 19.000 0.096 0.000 1.044 197 A HN 0.570 nan 8.150 nan 0.000 0.498 198 S N 2.555 118.249 115.700 -0.010 0.000 2.542 198 S HA 0.580 5.049 4.470 -0.000 0.000 0.276 198 S C -2.489 172.099 174.600 -0.020 0.000 1.148 198 S CA -0.791 57.400 58.200 -0.016 0.000 0.886 198 S CB 1.405 64.569 63.200 -0.061 0.000 1.109 198 S HN 0.323 nan 8.310 nan 0.000 0.458 199 P HA -0.036 nan 4.420 nan 0.000 0.221 199 P C 0.306 177.626 177.300 0.033 0.000 1.141 199 P CA 1.031 64.148 63.100 0.028 0.000 0.794 199 P CB 0.011 31.740 31.700 0.049 0.000 0.764 200 S N -2.318 113.357 115.700 -0.041 0.000 2.745 200 S HA 0.211 4.681 4.470 -0.000 0.000 0.306 200 S C 1.277 175.834 174.600 -0.072 0.000 1.137 200 S CA -0.594 57.555 58.200 -0.084 0.000 0.900 200 S CB 0.537 63.555 63.200 -0.304 0.000 1.176 200 S HN 0.222 nan 8.310 nan 0.000 0.520 201 H N 0.783 119.699 119.070 -0.258 0.000 2.456 201 H HA -0.071 4.485 4.556 -0.000 0.000 0.296 201 H C 0.231 175.574 175.328 0.025 0.000 1.079 201 H CA 1.570 57.506 56.048 -0.186 0.000 1.322 201 H CB -0.470 29.065 29.762 -0.378 0.000 1.388 201 H HN 0.885 nan 8.280 nan 0.000 0.538 202 H N -0.599 118.343 119.070 -0.213 0.000 2.476 202 H HA 0.367 4.922 4.556 -0.000 0.000 0.328 202 H C -0.288 174.978 175.328 -0.104 0.000 1.073 202 H CA -1.218 54.734 56.048 -0.161 0.000 1.229 202 H CB 1.127 30.875 29.762 -0.023 0.000 1.432 202 H HN -0.158 nan 8.280 nan 0.000 0.477 203 K N 4.314 124.575 120.400 -0.230 0.000 3.216 203 K HA 0.028 4.348 4.320 -0.000 0.000 0.277 203 K C -0.584 175.840 176.600 -0.293 0.000 1.246 203 K CA 0.052 56.193 56.287 -0.244 0.000 1.227 203 K CB -0.774 31.616 32.500 -0.184 0.000 1.487 203 K HN 0.736 nan 8.250 nan 0.000 0.341 204 Y N -0.008 120.358 120.300 0.109 0.000 2.462 204 Y HA 0.017 4.567 4.550 -0.000 0.000 0.261 204 Y C 0.156 176.056 175.900 0.001 0.000 1.146 204 Y CA -0.179 57.986 58.100 0.109 0.000 1.283 204 Y CB 0.396 38.999 38.460 0.239 0.000 1.090 204 Y HN 0.154 nan 8.280 nan 0.000 0.526 205 D N -0.324 120.118 120.400 0.070 0.000 3.060 205 D HA 0.051 4.691 4.640 -0.000 0.000 0.245 205 D C -0.013 176.270 176.300 -0.028 0.000 1.274 205 D CA -0.017 54.003 54.000 0.033 0.000 0.864 205 D CB -0.611 40.213 40.800 0.040 0.000 1.073 205 D HN -0.054 nan 8.370 nan 0.000 0.473 206 T N 0.637 115.115 114.554 -0.126 0.000 2.765 206 T HA 0.124 4.474 4.350 -0.000 0.000 0.275 206 T C 1.332 175.991 174.700 -0.068 0.000 1.007 206 T CA 0.330 62.295 62.100 -0.225 0.000 1.175 206 T CB 1.058 69.507 68.868 -0.699 0.000 0.993 206 T HN 0.358 nan 8.240 nan 0.000 0.510 207 A N 2.885 125.735 122.820 0.050 0.000 1.963 207 A HA 0.250 4.570 4.320 -0.000 0.000 0.207 207 A C 0.896 178.683 177.584 0.339 0.000 1.243 207 A CA 0.158 52.322 52.037 0.210 0.000 0.728 207 A CB 0.377 19.465 19.000 0.147 0.000 0.895 207 A HN 0.711 nan 8.150 nan 0.000 0.467 208 D N -1.890 118.664 120.400 0.257 0.000 2.696 208 D HA 0.387 5.027 4.640 -0.000 0.000 0.251 208 D C -0.768 175.706 176.300 0.291 0.000 1.188 208 D CA -0.573 53.640 54.000 0.354 0.000 0.876 208 D CB 0.815 41.761 40.800 0.243 0.000 1.334 208 D HN 0.171 nan 8.370 nan 0.000 0.540 209 Y N 2.298 122.824 120.300 0.378 0.000 2.578 209 Y HA 0.181 4.730 4.550 -0.000 0.000 0.297 209 Y C 1.502 177.429 175.900 0.046 0.000 1.176 209 Y CA 0.515 58.693 58.100 0.128 0.000 1.315 209 Y CB 0.352 38.934 38.460 0.203 0.000 1.031 209 Y HN 0.376 nan 8.280 nan 0.000 0.524 210 L N -0.521 120.933 121.223 0.386 0.000 2.965 210 L HA 0.514 4.853 4.340 -0.000 0.000 0.254 210 L C 0.170 177.348 176.870 0.513 0.000 1.220 210 L CA -0.258 54.876 54.840 0.490 0.000 1.023 210 L CB 0.168 42.467 42.059 0.400 0.000 1.355 210 L HN 0.014 nan 8.230 nan 0.000 0.545 211 A N -0.012 123.078 122.820 0.450 0.000 2.566 211 A HA 0.556 4.876 4.320 -0.000 0.000 0.297 211 A C -0.720 177.079 177.584 0.358 0.000 1.059 211 A CA -0.565 51.729 52.037 0.429 0.000 0.691 211 A CB 1.389 20.557 19.000 0.280 0.000 1.282 211 A HN -0.090 nan 8.150 nan 0.000 0.401 212 I N 2.171 122.956 120.570 0.359 0.000 2.692 212 I HA 0.031 4.200 4.170 -0.000 0.000 0.284 212 I C 0.815 177.039 176.117 0.178 0.000 1.159 212 I CA 0.359 61.806 61.300 0.245 0.000 1.423 212 I CB 0.456 38.576 38.000 0.200 0.000 1.380 212 I HN 0.775 nan 8.210 nan 0.000 0.580 213 D N 8.343 128.822 120.400 0.131 0.000 2.399 213 D HA 0.043 4.683 4.640 -0.000 0.000 0.241 213 D C -1.530 174.740 176.300 -0.050 0.000 1.133 213 D CA -1.231 52.759 54.000 -0.018 0.000 0.890 213 D CB 1.745 42.402 40.800 -0.239 0.000 1.201 213 D HN 0.258 nan 8.370 nan 0.000 0.432 214 P HA -0.204 nan 4.420 nan 0.000 0.219 214 P C 0.991 178.227 177.300 -0.106 0.000 1.144 214 P CA 1.401 64.464 63.100 -0.061 0.000 0.806 214 P CB 0.023 31.688 31.700 -0.059 0.000 0.771 215 Q N -2.622 117.039 119.800 -0.232 0.000 2.384 215 Q HA 0.049 4.389 4.340 -0.000 0.000 0.207 215 Q C 1.278 177.260 176.000 -0.030 0.000 0.904 215 Q CA 0.308 55.983 55.803 -0.212 0.000 0.933 215 Q CB -0.214 28.310 28.738 -0.357 0.000 1.077 215 Q HN 0.058 nan 8.270 nan 0.000 0.522 216 F N 0.526 120.451 119.950 -0.041 0.000 2.453 216 F HA 0.512 5.038 4.527 -0.000 0.000 0.284 216 F C 1.377 177.154 175.800 -0.039 0.000 1.065 216 F CA 0.631 58.598 58.000 -0.055 0.000 1.411 216 F CB 0.580 39.525 39.000 -0.093 0.000 1.131 216 F HN 0.263 nan 8.300 nan 0.000 0.582 217 G N -0.622 108.282 108.800 0.172 0.000 2.455 217 G HA2 0.385 4.345 3.960 -0.000 0.000 0.223 217 G HA3 0.385 4.345 3.960 -0.000 0.000 0.223 217 G C -2.151 172.821 174.900 0.119 0.000 1.226 217 G CA -0.162 45.007 45.100 0.115 0.000 0.948 217 G HN 0.128 nan 8.290 nan 0.000 0.478 218 D N -1.323 119.157 120.400 0.134 0.000 2.615 218 D HA 0.480 5.120 4.640 -0.000 0.000 0.267 218 D C 1.095 177.510 176.300 0.192 0.000 1.236 218 D CA -0.837 53.251 54.000 0.147 0.000 0.839 218 D CB 0.393 41.254 40.800 0.102 0.000 1.380 218 D HN 0.334 nan 8.370 nan 0.000 0.433 219 L N -0.164 121.183 121.223 0.206 0.000 2.013 219 L HA -0.061 4.279 4.340 -0.000 0.000 0.212 219 L C -0.688 176.293 176.870 0.185 0.000 1.073 219 L CA 2.199 57.178 54.840 0.233 0.000 0.753 219 L CB -2.376 39.792 42.059 0.182 0.000 0.890 219 L HN 0.466 nan 8.230 nan 0.000 0.432 220 P HA -0.087 nan 4.420 nan 0.000 0.220 220 P C 1.642 178.974 177.300 0.053 0.000 1.148 220 P CA 1.227 64.370 63.100 0.070 0.000 0.803 220 P CB 0.021 31.752 31.700 0.053 0.000 0.782 221 T N -1.370 113.232 114.554 0.079 0.000 2.896 221 T HA -0.074 4.275 4.350 -0.000 0.000 0.263 221 T C 1.358 176.084 174.700 0.042 0.000 1.050 221 T CA 0.683 62.811 62.100 0.046 0.000 1.140 221 T CB -0.815 68.084 68.868 0.051 0.000 0.877 221 T HN -0.003 nan 8.240 nan 0.000 0.457 222 F N 2.871 122.819 119.950 -0.003 0.000 2.102 222 F HA -0.036 4.491 4.527 -0.001 0.000 0.298 222 F C 2.351 178.143 175.800 -0.014 0.000 1.105 222 F CA 1.064 59.054 58.000 -0.015 0.000 1.239 222 F CB -0.229 38.817 39.000 0.075 0.000 0.991 222 F HN -0.090 nan 8.300 nan 0.000 0.474 223 R N 0.110 120.504 120.500 -0.178 0.000 2.097 223 R HA -0.227 4.112 4.340 -0.000 0.000 0.236 223 R C 2.436 178.604 176.300 -0.221 0.000 1.135 223 R CA 1.745 57.717 56.100 -0.213 0.000 0.934 223 R CB -1.003 29.268 30.300 -0.049 0.000 0.846 223 R HN 0.296 nan 8.270 nan 0.000 0.431 224 R N 0.962 121.381 120.500 -0.135 0.000 2.117 224 R HA -0.183 4.157 4.340 -0.000 0.000 0.243 224 R C 2.347 178.548 176.300 -0.165 0.000 1.143 224 R CA 1.413 57.444 56.100 -0.115 0.000 0.968 224 R CB -0.342 29.915 30.300 -0.072 0.000 0.863 224 R HN 0.114 nan 8.270 nan 0.000 0.444 225 L N 0.536 121.623 121.223 -0.226 0.000 1.994 225 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 225 L C 2.251 178.908 176.870 -0.355 0.000 1.071 225 L CA 1.564 56.249 54.840 -0.260 0.000 0.745 225 L CB -0.794 41.110 42.059 -0.258 0.000 0.892 225 L HN -0.056 nan 8.230 nan 0.000 0.431 226 V N 0.256 119.821 119.914 -0.581 0.000 2.278 226 V HA -0.364 3.756 4.120 -0.000 0.000 0.251 226 V C 2.306 178.035 176.094 -0.609 0.000 1.062 226 V CA 2.252 64.141 62.300 -0.686 0.000 1.038 226 V CB -0.769 30.626 31.823 -0.713 0.000 0.646 226 V HN 0.506 nan 8.190 nan 0.000 0.447 227 D N -1.072 119.129 120.400 -0.332 0.000 2.149 227 D HA -0.105 4.534 4.640 -0.000 0.000 0.201 227 D C 2.230 178.465 176.300 -0.107 0.000 0.972 227 D CA 0.966 54.872 54.000 -0.157 0.000 0.835 227 D CB -0.122 40.620 40.800 -0.098 0.000 0.966 227 D HN 0.411 nan 8.370 nan 0.000 0.476 228 E N 0.417 120.541 120.200 -0.126 0.000 2.158 228 E HA 0.064 4.413 4.350 -0.000 0.000 0.191 228 E C 1.765 178.325 176.600 -0.066 0.000 0.982 228 E CA 0.882 57.235 56.400 -0.078 0.000 0.823 228 E CB -0.120 29.534 29.700 -0.077 0.000 0.766 228 E HN 0.138 nan 8.360 nan 0.000 0.468 229 A N -0.465 122.290 122.820 -0.108 0.000 1.855 229 A HA -0.110 4.210 4.320 -0.000 0.000 0.213 229 A C 1.927 179.497 177.584 -0.024 0.000 1.195 229 A CA 1.497 53.489 52.037 -0.075 0.000 0.610 229 A CB -0.916 18.021 19.000 -0.106 0.000 0.837 229 A HN 0.432 nan 8.150 nan 0.000 0.444 230 H N -1.061 117.956 119.070 -0.089 0.000 2.390 230 H HA -0.139 4.417 4.556 -0.000 0.000 0.298 230 H C 2.290 177.565 175.328 -0.088 0.000 1.106 230 H CA 1.201 57.187 56.048 -0.104 0.000 1.297 230 H CB 0.074 29.773 29.762 -0.105 0.000 1.375 230 H HN 0.323 nan 8.280 nan 0.000 0.509 231 R N 1.587 122.126 120.500 0.065 0.000 2.237 231 R HA -0.057 4.283 4.340 -0.000 0.000 0.219 231 R C 0.853 177.151 176.300 -0.003 0.000 1.080 231 R CA 0.850 56.958 56.100 0.014 0.000 0.995 231 R CB 0.067 30.368 30.300 0.003 0.000 0.875 231 R HN 0.346 nan 8.270 nan 0.000 0.462 232 R N -0.832 119.666 120.500 -0.003 0.000 2.515 232 R HA 0.139 4.478 4.340 -0.000 0.000 0.294 232 R C 0.784 177.074 176.300 -0.015 0.000 1.021 232 R CA 0.443 56.538 56.100 -0.008 0.000 1.081 232 R CB 0.638 30.935 30.300 -0.004 0.000 1.263 232 R HN 0.446 nan 8.270 nan 0.000 0.557 233 G N 1.246 110.029 108.800 -0.027 0.000 2.320 233 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.242 233 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.242 233 G C 0.238 175.102 174.900 -0.060 0.000 1.033 233 G CA -0.244 44.826 45.100 -0.050 0.000 0.620 233 G HN 0.237 nan 8.290 nan 0.000 0.517 234 I N 2.235 122.786 120.570 -0.033 0.000 2.416 234 I HA 0.355 4.524 4.170 -0.000 0.000 0.288 234 I C 0.835 176.933 176.117 -0.030 0.000 1.051 234 I CA -0.148 61.131 61.300 -0.036 0.000 1.375 234 I CB 1.170 39.157 38.000 -0.022 0.000 1.407 234 I HN 0.039 nan 8.210 nan 0.000 0.516 235 K N 5.151 125.487 120.400 -0.106 0.000 2.109 235 K HA 0.588 4.908 4.320 -0.000 0.000 0.243 235 K C -0.911 175.687 176.600 -0.004 0.000 1.006 235 K CA -0.845 55.392 56.287 -0.084 0.000 0.917 235 K CB 1.231 33.441 32.500 -0.482 0.000 1.081 235 K HN 0.283 nan 8.250 nan 0.000 0.468 236 I N 1.935 122.538 120.570 0.055 0.000 2.389 236 I HA 0.297 4.466 4.170 -0.000 0.000 0.288 236 I C -0.674 175.519 176.117 0.128 0.000 0.999 236 I CA -0.237 61.117 61.300 0.090 0.000 1.129 236 I CB 1.293 39.373 38.000 0.133 0.000 1.288 236 I HN 0.389 nan 8.210 nan 0.000 0.444 237 I N 7.020 127.665 120.570 0.126 0.000 2.404 237 I HA 0.369 4.539 4.170 -0.000 0.000 0.293 237 I C -0.753 175.456 176.117 0.154 0.000 0.992 237 I CA -0.793 60.611 61.300 0.173 0.000 1.149 237 I CB 1.531 39.739 38.000 0.346 0.000 1.315 237 I HN 0.269 nan 8.210 nan 0.000 0.446 238 L N 5.010 126.241 121.223 0.013 0.000 2.334 238 L HA 0.383 4.723 4.340 -0.000 0.000 0.272 238 L C -0.396 176.556 176.870 0.136 0.000 1.020 238 L CA -0.211 54.622 54.840 -0.011 0.000 0.812 238 L CB 1.522 43.433 42.059 -0.247 0.000 1.264 238 L HN 0.455 nan 8.230 nan 0.000 0.439 239 D N 1.720 122.156 120.400 0.059 0.000 2.280 239 D HA 0.540 5.179 4.640 -0.000 0.000 0.243 239 D C -0.815 175.537 176.300 0.088 0.000 1.129 239 D CA -0.096 53.995 54.000 0.152 0.000 0.848 239 D CB 1.152 42.029 40.800 0.127 0.000 1.107 239 D HN 0.605 nan 8.370 nan 0.000 0.471 240 A N 3.763 126.648 122.820 0.108 0.000 2.273 240 A HA 0.417 4.737 4.320 -0.000 0.000 0.320 240 A C -0.301 177.080 177.584 -0.339 0.000 1.358 240 A CA -0.723 51.241 52.037 -0.122 0.000 0.910 240 A CB 0.870 19.596 19.000 -0.456 0.000 1.159 240 A HN 0.458 nan 8.150 nan 0.000 0.526 241 V N 4.355 124.247 119.914 -0.036 0.000 2.525 241 V HA 0.085 4.205 4.120 -0.000 0.000 0.326 241 V C 0.088 176.307 176.094 0.207 0.000 1.477 241 V CA 0.079 62.444 62.300 0.107 0.000 1.579 241 V CB -1.361 30.574 31.823 0.187 0.000 1.489 241 V HN 0.814 nan 8.190 nan 0.000 0.541 242 F N 0.270 120.296 119.950 0.125 0.000 2.802 242 F HA 0.050 4.577 4.527 -0.001 0.000 0.300 242 F C 1.989 177.721 175.800 -0.114 0.000 1.168 242 F CA 0.057 58.019 58.000 -0.064 0.000 1.433 242 F CB -1.031 37.850 39.000 -0.199 0.000 1.115 242 F HN 0.441 nan 8.300 nan 0.000 0.582 243 N N 0.022 118.814 118.700 0.154 0.000 2.092 243 N HA -0.136 4.604 4.740 -0.000 0.000 0.189 243 N C 0.403 176.025 175.510 0.185 0.000 1.040 243 N CA 0.973 54.091 53.050 0.114 0.000 0.845 243 N CB -0.058 38.525 38.487 0.160 0.000 1.017 243 N HN 0.271 nan 8.380 nan 0.000 0.426 244 H N -0.933 118.194 119.070 0.095 0.000 2.621 244 H HA 0.705 5.261 4.556 -0.000 0.000 0.360 244 H C -0.958 174.452 175.328 0.137 0.000 1.163 244 H CA -0.886 55.220 56.048 0.097 0.000 1.194 244 H CB 1.386 31.206 29.762 0.097 0.000 1.649 244 H HN 0.170 nan 8.280 nan 0.000 0.532 245 A N 1.203 124.052 122.820 0.047 0.000 2.248 245 A HA 0.682 5.002 4.320 -0.000 0.000 0.316 245 A C 0.719 178.240 177.584 -0.105 0.000 1.101 245 A CA -0.202 51.781 52.037 -0.090 0.000 0.875 245 A CB 0.437 19.328 19.000 -0.183 0.000 1.207 245 A HN 0.949 nan 8.150 nan 0.000 0.504 246 G N -1.332 107.427 108.800 -0.069 0.000 2.557 246 G HA2 0.373 4.332 3.960 -0.000 0.000 0.292 246 G HA3 0.373 4.332 3.960 -0.000 0.000 0.292 246 G C 0.243 175.182 174.900 0.065 0.000 1.237 246 G CA 0.438 45.543 45.100 0.007 0.000 0.978 246 G HN 0.662 nan 8.290 nan 0.000 0.498 247 D N -1.163 119.304 120.400 0.112 0.000 2.224 247 D HA -0.077 4.563 4.640 -0.000 0.000 0.205 247 D C 1.766 178.285 176.300 0.364 0.000 0.965 247 D CA 0.891 55.042 54.000 0.253 0.000 0.852 247 D CB 0.250 41.176 40.800 0.209 0.000 0.947 247 D HN 0.194 nan 8.370 nan 0.000 0.494 248 Q N -0.198 119.767 119.800 0.275 0.000 2.212 248 Q HA 0.082 4.422 4.340 -0.000 0.000 0.213 248 Q C -0.234 175.973 176.000 0.344 0.000 0.874 248 Q CA -0.422 55.536 55.803 0.258 0.000 0.965 248 Q CB -0.380 28.466 28.738 0.180 0.000 1.074 248 Q HN 0.264 nan 8.270 nan 0.000 0.473 249 F N 1.272 121.368 119.950 0.245 0.000 2.496 249 F HA 0.004 4.531 4.527 -0.000 0.000 0.344 249 F C 1.411 177.402 175.800 0.318 0.000 1.155 249 F CA -1.099 57.090 58.000 0.315 0.000 1.302 249 F CB 0.430 39.626 39.000 0.327 0.000 1.159 249 F HN 0.132 nan 8.300 nan 0.000 0.595 250 F N 2.279 121.948 119.950 -0.469 0.000 2.095 250 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 250 F C 1.813 177.361 175.800 -0.420 0.000 1.104 250 F CA 1.362 59.103 58.000 -0.431 0.000 1.232 250 F CB -1.314 37.366 39.000 -0.534 0.000 0.987 250 F HN 0.361 nan 8.300 nan 0.000 0.475 251 A N -0.188 121.950 122.820 -1.137 0.000 2.014 251 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 251 A C 2.031 179.694 177.584 0.133 0.000 1.163 251 A CA 1.003 52.535 52.037 -0.841 0.000 0.652 251 A CB -1.321 17.109 19.000 -0.949 0.000 0.808 251 A HN 0.522 nan 8.150 nan 0.000 0.449 252 F N 0.629 120.645 119.950 0.110 0.000 2.163 252 F HA -0.014 4.513 4.527 -0.000 0.000 0.297 252 F C 2.346 178.178 175.800 0.055 0.000 1.094 252 F CA 1.206 59.189 58.000 -0.030 0.000 1.290 252 F CB -0.232 38.675 39.000 -0.155 0.000 1.017 252 F HN 0.104 nan 8.300 nan 0.000 0.483 253 R N -0.119 120.353 120.500 -0.047 0.000 2.096 253 R HA -0.168 4.171 4.340 -0.000 0.000 0.235 253 R C 2.030 178.273 176.300 -0.095 0.000 1.127 253 R CA 1.465 57.508 56.100 -0.096 0.000 0.968 253 R CB -0.673 29.633 30.300 0.010 0.000 0.861 253 R HN 0.273 nan 8.270 nan 0.000 0.440 254 D N 0.388 120.764 120.400 -0.040 0.000 2.084 254 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 254 D C 1.978 178.299 176.300 0.034 0.000 0.990 254 D CA 1.654 55.673 54.000 0.031 0.000 0.826 254 D CB -0.062 40.826 40.800 0.147 0.000 0.971 254 D HN 0.096 nan 8.370 nan 0.000 0.453 255 V N -0.086 119.869 119.914 0.068 0.000 2.380 255 V HA -0.228 3.892 4.120 -0.000 0.000 0.251 255 V C 2.691 178.784 176.094 -0.002 0.000 1.063 255 V CA 1.431 63.806 62.300 0.124 0.000 1.055 255 V CB -0.984 31.022 31.823 0.305 0.000 0.657 255 V HN 0.180 nan 8.190 nan 0.000 0.455 256 L N 0.716 121.799 121.223 -0.232 0.000 2.012 256 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 256 L C 3.153 179.971 176.870 -0.087 0.000 1.073 256 L CA 2.756 57.459 54.840 -0.229 0.000 0.748 256 L CB -0.459 41.407 42.059 -0.322 0.000 0.891 256 L HN 0.652 nan 8.230 nan 0.000 0.431 257 Q N -0.729 119.032 119.800 -0.065 0.000 2.008 257 Q HA -0.170 4.169 4.340 -0.000 0.000 0.196 257 Q C 1.985 177.962 176.000 -0.038 0.000 0.973 257 Q CA 0.989 56.768 55.803 -0.040 0.000 0.826 257 Q CB -0.350 28.372 28.738 -0.027 0.000 0.894 257 Q HN 0.365 nan 8.270 nan 0.000 0.439 258 K N 0.561 120.943 120.400 -0.029 0.000 2.186 258 K HA 0.112 4.432 4.320 -0.000 0.000 0.202 258 K C 1.204 177.753 176.600 -0.086 0.000 1.052 258 K CA 0.574 56.835 56.287 -0.043 0.000 0.965 258 K CB 0.110 32.595 32.500 -0.026 0.000 0.746 258 K HN 0.457 nan 8.250 nan 0.000 0.457 259 G N 2.104 110.866 108.800 -0.063 0.000 2.557 259 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.292 259 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.292 259 G C 0.604 175.357 174.900 -0.246 0.000 1.162 259 G CA 0.648 45.617 45.100 -0.218 0.000 0.964 259 G HN 0.326 nan 8.290 nan 0.000 0.541 260 E N 0.653 120.580 120.200 -0.454 0.000 2.347 260 E HA 0.114 4.463 4.350 -0.000 0.000 0.196 260 E C 2.397 178.928 176.600 -0.115 0.000 1.008 260 E CA 1.188 57.402 56.400 -0.310 0.000 0.852 260 E CB 0.061 29.561 29.700 -0.333 0.000 0.783 260 E HN 0.467 nan 8.360 nan 0.000 0.505 261 Q N 0.237 119.976 119.800 -0.102 0.000 2.402 261 Q HA 0.080 4.420 4.340 -0.000 0.000 0.206 261 Q C 0.343 176.307 176.000 -0.060 0.000 0.919 261 Q CA 0.139 55.900 55.803 -0.071 0.000 0.923 261 Q CB 0.409 29.106 28.738 -0.069 0.000 1.048 261 Q HN 0.252 nan 8.270 nan 0.000 0.515 262 S N 0.381 116.058 115.700 -0.038 0.000 2.549 262 S HA 0.065 4.535 4.470 -0.000 0.000 0.286 262 S C 0.723 175.253 174.600 -0.117 0.000 1.314 262 S CA -0.361 57.815 58.200 -0.039 0.000 1.062 262 S CB 1.277 64.508 63.200 0.052 0.000 0.865 262 S HN 0.128 nan 8.310 nan 0.000 0.498 263 R N 2.337 122.679 120.500 -0.263 0.000 2.377 263 R HA -0.002 4.338 4.340 -0.000 0.000 0.207 263 R C 0.381 176.294 176.300 -0.646 0.000 1.075 263 R CA 1.352 57.197 56.100 -0.426 0.000 1.035 263 R CB -1.010 28.955 30.300 -0.558 0.000 0.857 263 R HN 0.903 nan 8.270 nan 0.000 0.475 264 Y N -0.195 119.952 120.300 -0.256 0.000 2.478 264 Y HA 0.077 4.626 4.550 -0.000 0.000 0.261 264 Y C 1.730 177.526 175.900 -0.175 0.000 1.127 264 Y CA 0.226 58.030 58.100 -0.493 0.000 1.288 264 Y CB 0.100 38.154 38.460 -0.677 0.000 1.084 264 Y HN 0.101 nan 8.280 nan 0.000 0.530 265 K N 0.039 120.506 120.400 0.112 0.000 2.127 265 K HA -0.279 4.040 4.320 -0.000 0.000 0.212 265 K C 0.675 177.402 176.600 0.210 0.000 1.050 265 K CA 2.319 58.756 56.287 0.249 0.000 0.929 265 K CB -0.372 32.273 32.500 0.241 0.000 0.715 265 K HN 0.225 nan 8.250 nan 0.000 0.457 266 D N -0.564 119.925 120.400 0.149 0.000 2.349 266 D HA -0.020 4.619 4.640 -0.000 0.000 0.215 266 D C 1.059 177.383 176.300 0.040 0.000 1.016 266 D CA 0.239 54.290 54.000 0.084 0.000 0.870 266 D CB -0.110 40.719 40.800 0.048 0.000 0.917 266 D HN 0.328 nan 8.370 nan 0.000 0.524 267 W N 0.626 121.725 121.300 -0.336 0.000 2.436 267 W HA -0.041 4.619 4.660 -0.000 0.000 0.261 267 W C 0.251 176.135 176.519 -1.058 0.000 1.222 267 W CA 0.563 57.463 57.345 -0.743 0.000 1.191 267 W CB -0.542 28.294 29.460 -1.041 0.000 1.132 267 W HN -0.138 nan 8.180 nan 0.000 0.596 268 F N -3.019 117.095 119.950 0.273 0.000 2.662 268 F HA 0.327 4.854 4.527 -0.000 0.000 0.312 268 F C -0.667 175.222 175.800 0.148 0.000 1.113 268 F CA -1.828 56.356 58.000 0.307 0.000 0.951 268 F CB 0.630 39.894 39.000 0.440 0.000 1.344 268 F HN -0.535 nan 8.300 nan 0.000 0.462 269 F N 3.598 123.723 119.950 0.292 0.000 2.413 269 F HA 0.408 4.934 4.527 -0.000 0.000 0.359 269 F C -0.166 175.715 175.800 0.134 0.000 1.122 269 F CA -0.394 57.700 58.000 0.156 0.000 1.160 269 F CB 0.538 39.599 39.000 0.102 0.000 1.146 269 F HN 0.033 nan 8.300 nan 0.000 0.514 270 I N 4.211 124.863 120.570 0.137 0.000 2.382 270 I HA 0.134 4.304 4.170 -0.000 0.000 0.285 270 I C 0.575 176.718 176.117 0.044 0.000 1.007 270 I CA -0.347 60.962 61.300 0.014 0.000 1.142 270 I CB 1.512 39.393 38.000 -0.198 0.000 1.289 270 I HN 0.661 nan 8.210 nan 0.000 0.453 271 E N 3.873 124.128 120.200 0.091 0.000 2.421 271 E HA 0.088 4.438 4.350 -0.000 0.000 0.209 271 E C -0.201 176.454 176.600 0.091 0.000 0.871 271 E CA 0.266 56.724 56.400 0.096 0.000 1.064 271 E CB 0.426 30.197 29.700 0.120 0.000 1.075 271 E HN 0.342 nan 8.360 nan 0.000 0.513 272 D N 0.931 121.370 120.400 0.064 0.000 2.468 272 D HA 0.157 4.796 4.640 -0.000 0.000 0.218 272 D C -1.333 175.009 176.300 0.069 0.000 1.155 272 D CA -0.076 53.964 54.000 0.067 0.000 0.924 272 D CB 0.295 41.104 40.800 0.015 0.000 1.029 272 D HN 0.058 nan 8.370 nan 0.000 0.515 273 F N 2.788 122.768 119.950 0.049 0.000 2.553 273 F HA 0.329 4.856 4.527 -0.000 0.000 0.335 273 F C -1.736 174.076 175.800 0.019 0.000 1.148 273 F CA -2.544 55.476 58.000 0.033 0.000 0.963 273 F CB 1.091 40.122 39.000 0.052 0.000 1.217 273 F HN 0.085 nan 8.300 nan 0.000 0.441 274 P HA 0.278 nan 4.420 nan 0.000 0.274 274 P C -0.802 176.649 177.300 0.251 0.000 1.260 274 P CA -0.519 62.745 63.100 0.273 0.000 0.793 274 P CB 0.572 32.313 31.700 0.069 0.000 1.048 275 V N 0.605 120.619 119.914 0.166 0.000 2.479 275 V HA 0.138 4.258 4.120 -0.000 0.000 0.281 275 V C 0.730 176.789 176.094 -0.059 0.000 1.031 275 V CA 0.284 62.557 62.300 -0.045 0.000 1.038 275 V CB 0.346 32.072 31.823 -0.163 0.000 0.981 275 V HN 0.629 nan 8.190 nan 0.000 0.478 276 S N 4.848 120.491 115.700 -0.095 0.000 2.461 276 S HA 0.313 4.783 4.470 -0.000 0.000 0.322 276 S C 0.713 175.281 174.600 -0.054 0.000 1.063 276 S CA -0.695 57.490 58.200 -0.024 0.000 1.120 276 S CB 0.515 63.728 63.200 0.022 0.000 0.968 276 S HN 0.855 nan 8.310 nan 0.000 0.467 277 K N 3.338 123.749 120.400 0.018 0.000 2.361 277 K HA 0.099 4.419 4.320 -0.000 0.000 0.194 277 K C 0.982 177.662 176.600 0.133 0.000 1.032 277 K CA 0.469 56.830 56.287 0.124 0.000 1.048 277 K CB 0.122 32.734 32.500 0.187 0.000 0.842 277 K HN 0.582 nan 8.250 nan 0.000 0.526 278 T N -0.492 114.116 114.554 0.091 0.000 3.033 278 T HA 0.109 4.459 4.350 -0.000 0.000 0.248 278 T C 1.289 176.038 174.700 0.082 0.000 1.040 278 T CA 0.741 62.893 62.100 0.086 0.000 1.133 278 T CB 0.253 69.162 68.868 0.068 0.000 0.895 278 T HN 0.095 nan 8.240 nan 0.000 0.465 279 S N -0.173 115.573 115.700 0.076 0.000 2.549 279 S HA 0.374 4.844 4.470 -0.000 0.000 0.225 279 S C 0.626 175.275 174.600 0.081 0.000 1.039 279 S CA -0.302 57.941 58.200 0.072 0.000 0.942 279 S CB 0.950 64.184 63.200 0.058 0.000 0.881 279 S HN 0.125 nan 8.310 nan 0.000 0.503 280 R N 1.375 121.934 120.500 0.098 0.000 2.575 280 R HA 0.259 4.599 4.340 -0.000 0.000 0.292 280 R C -0.655 175.745 176.300 0.165 0.000 1.246 280 R CA 0.068 56.234 56.100 0.109 0.000 0.973 280 R CB 0.876 31.232 30.300 0.092 0.000 1.187 280 R HN 0.009 nan 8.270 nan 0.000 0.478 281 T N 1.217 115.880 114.554 0.182 0.000 3.284 281 T HA -0.044 4.306 4.350 -0.000 0.000 0.252 281 T C 1.252 176.124 174.700 0.286 0.000 1.144 281 T CA 0.493 62.757 62.100 0.272 0.000 1.021 281 T CB -0.331 68.646 68.868 0.181 0.000 0.984 281 T HN 0.426 nan 8.240 nan 0.000 0.545 282 N N 1.684 120.527 118.700 0.238 0.000 2.513 282 N HA -0.068 4.672 4.740 -0.000 0.000 0.187 282 N C 0.265 175.908 175.510 0.221 0.000 1.056 282 N CA 0.342 53.501 53.050 0.182 0.000 0.907 282 N CB -0.359 38.212 38.487 0.140 0.000 0.954 282 N HN 0.730 nan 8.380 nan 0.000 0.445 283 Y N 0.223 120.567 120.300 0.074 0.000 2.465 283 Y HA 0.202 4.752 4.550 -0.000 0.000 0.331 283 Y C -0.068 175.879 175.900 0.078 0.000 1.102 283 Y CA -1.202 56.952 58.100 0.089 0.000 1.358 283 Y CB 0.153 38.677 38.460 0.107 0.000 1.213 283 Y HN -0.068 nan 8.280 nan 0.000 0.525 284 E N 3.891 124.122 120.200 0.051 0.000 3.072 284 E HA -0.142 4.208 4.350 -0.000 0.000 0.241 284 E C 0.033 176.452 176.600 -0.303 0.000 0.962 284 E CA 0.870 57.206 56.400 -0.106 0.000 0.955 284 E CB 0.366 29.999 29.700 -0.112 0.000 0.899 284 E HN 0.808 nan 8.360 nan 0.000 0.547 285 T N 1.283 115.635 114.554 -0.336 0.000 2.724 285 T HA 0.231 4.581 4.350 -0.000 0.000 0.274 285 T C 0.717 175.291 174.700 -0.210 0.000 0.984 285 T CA -0.705 61.194 62.100 -0.336 0.000 1.024 285 T CB 0.636 69.254 68.868 -0.417 0.000 1.320 285 T HN 0.380 nan 8.240 nan 0.000 0.555 286 F N 1.659 121.438 119.950 -0.286 0.000 2.039 286 F HA 0.117 4.644 4.527 -0.000 0.000 0.296 286 F C 0.883 176.548 175.800 -0.226 0.000 1.119 286 F CA 2.327 60.138 58.000 -0.315 0.000 1.211 286 F CB -0.444 38.366 39.000 -0.316 0.000 0.956 286 F HN 0.774 nan 8.300 nan 0.000 0.496 287 A N -1.874 120.923 122.820 -0.039 0.000 2.588 287 A HA 0.469 4.788 4.320 -0.000 0.000 0.290 287 A C 0.569 178.144 177.584 -0.015 0.000 1.136 287 A CA -0.119 51.870 52.037 -0.080 0.000 0.681 287 A CB 0.233 19.237 19.000 0.006 0.000 1.282 287 A HN 0.616 nan 8.150 nan 0.000 0.421 288 V N -1.066 118.838 119.914 -0.016 0.000 2.688 288 V HA -0.205 3.915 4.120 -0.000 0.000 0.256 288 V C 1.130 177.239 176.094 0.025 0.000 1.084 288 V CA 2.783 65.082 62.300 -0.002 0.000 1.103 288 V CB -0.937 30.889 31.823 0.004 0.000 0.688 288 V HN 0.942 nan 8.190 nan 0.000 0.480 289 Q N -0.309 119.513 119.800 0.037 0.000 2.149 289 Q HA 0.368 4.708 4.340 -0.000 0.000 0.221 289 Q C -0.007 176.024 176.000 0.052 0.000 0.807 289 Q CA -0.130 55.703 55.803 0.050 0.000 1.000 289 Q CB 0.711 29.475 28.738 0.044 0.000 1.157 289 Q HN 0.509 nan 8.270 nan 0.000 0.487 290 V N 3.324 123.267 119.914 0.049 0.000 2.432 290 V HA 0.220 4.339 4.120 -0.000 0.000 0.271 290 V C -2.047 174.071 176.094 0.040 0.000 1.046 290 V CA -1.155 61.165 62.300 0.033 0.000 0.945 290 V CB 1.273 33.112 31.823 0.028 0.000 0.992 290 V HN 0.185 nan 8.190 nan 0.000 0.471 291 P HA 0.320 nan 4.420 nan 0.000 0.282 291 P C 0.536 177.944 177.300 0.180 0.000 1.373 291 P CA 0.039 63.240 63.100 0.168 0.000 1.001 291 P CB 0.905 32.716 31.700 0.186 0.000 1.489 292 A N -0.703 122.174 122.820 0.094 0.000 2.470 292 A HA 0.419 4.739 4.320 -0.000 0.000 0.251 292 A C 0.625 178.231 177.584 0.036 0.000 1.245 292 A CA 0.157 52.248 52.037 0.091 0.000 0.932 292 A CB -0.275 18.777 19.000 0.087 0.000 1.037 292 A HN 0.035 nan 8.150 nan 0.000 0.522 293 M N 2.298 121.895 119.600 -0.006 0.000 1.960 293 M HA 0.282 4.762 4.480 -0.000 0.000 0.271 293 M C -3.050 173.180 176.300 -0.117 0.000 0.862 293 M CA -1.515 53.816 55.300 0.051 0.000 0.854 293 M CB 2.389 35.128 32.600 0.231 0.000 1.575 293 M HN 0.001 nan 8.290 nan 0.000 0.375 294 P HA 0.293 nan 4.420 nan 0.000 0.290 294 P C -1.492 175.747 177.300 -0.101 0.000 1.275 294 P CA -0.628 62.206 63.100 -0.444 0.000 0.841 294 P CB 1.084 32.320 31.700 -0.773 0.000 1.042 295 K N 3.021 123.450 120.400 0.047 0.000 2.205 295 K HA 0.410 4.729 4.320 -0.000 0.000 0.279 295 K C -0.210 176.669 176.600 0.464 0.000 1.027 295 K CA -0.796 55.594 56.287 0.172 0.000 0.932 295 K CB 0.518 32.985 32.500 -0.056 0.000 1.032 295 K HN 0.358 nan 8.250 nan 0.000 0.466 296 L N 3.240 124.692 121.223 0.382 0.000 2.410 296 L HA 0.157 4.497 4.340 -0.000 0.000 0.273 296 L C 1.086 178.111 176.870 0.259 0.000 1.152 296 L CA -0.374 54.692 54.840 0.377 0.000 0.855 296 L CB 0.574 42.721 42.059 0.147 0.000 1.129 296 L HN 0.699 nan 8.230 nan 0.000 0.463 297 R N 1.853 122.445 120.500 0.153 0.000 4.045 297 R HA -0.051 4.288 4.340 -0.000 0.000 0.174 297 R C 1.391 177.659 176.300 -0.052 0.000 1.805 297 R CA 0.285 56.445 56.100 0.101 0.000 1.368 297 R CB -0.265 29.908 30.300 -0.212 0.000 1.362 297 R HN 0.860 nan 8.270 nan 0.000 0.777 298 T N -1.934 112.587 114.554 -0.055 0.000 2.882 298 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 298 T C 1.088 175.773 174.700 -0.024 0.000 1.104 298 T CA 1.650 63.677 62.100 -0.122 0.000 1.118 298 T CB -0.071 68.571 68.868 -0.376 0.000 0.831 298 T HN 0.579 nan 8.240 nan 0.000 0.529 299 E N 1.108 121.301 120.200 -0.012 0.000 2.152 299 E HA 0.004 4.353 4.350 -0.000 0.000 0.192 299 E C 1.099 177.658 176.600 -0.069 0.000 0.983 299 E CA 0.109 56.504 56.400 -0.009 0.000 0.818 299 E CB -0.112 29.601 29.700 0.021 0.000 0.758 299 E HN 0.523 nan 8.360 nan 0.000 0.467 300 N N 1.507 120.127 118.700 -0.133 0.000 2.483 300 N HA -0.020 4.720 4.740 -0.000 0.000 0.264 300 N C -2.040 173.364 175.510 -0.178 0.000 1.197 300 N CA -1.239 51.712 53.050 -0.164 0.000 0.927 300 N CB 1.229 39.566 38.487 -0.249 0.000 1.065 300 N HN -0.208 nan 8.380 nan 0.000 0.461 301 P HA 0.028 nan 4.420 nan 0.000 0.229 301 P C 0.326 177.545 177.300 -0.135 0.000 1.160 301 P CA 0.969 63.993 63.100 -0.128 0.000 0.777 301 P CB 0.464 32.124 31.700 -0.068 0.000 0.814 302 E N -0.700 119.436 120.200 -0.107 0.000 2.033 302 E HA -0.076 4.273 4.350 -0.000 0.000 0.189 302 E C 1.951 178.390 176.600 -0.268 0.000 0.979 302 E CA 0.794 57.171 56.400 -0.039 0.000 0.802 302 E CB -0.695 29.131 29.700 0.209 0.000 0.763 302 E HN -0.058 nan 8.360 nan 0.000 0.449 303 V N 2.046 121.585 119.914 -0.626 0.000 2.231 303 V HA -0.370 3.750 4.120 -0.000 0.000 0.248 303 V C 2.393 178.222 176.094 -0.441 0.000 1.054 303 V CA 2.293 64.117 62.300 -0.792 0.000 1.015 303 V CB -0.618 30.746 31.823 -0.765 0.000 0.638 303 V HN 0.237 nan 8.190 nan 0.000 0.444 304 K N -0.023 120.139 120.400 -0.397 0.000 2.015 304 K HA -0.291 4.029 4.320 -0.000 0.000 0.220 304 K C 2.199 178.226 176.600 -0.955 0.000 1.055 304 K CA 2.381 58.280 56.287 -0.647 0.000 0.951 304 K CB -0.329 31.808 32.500 -0.604 0.000 0.725 304 K HN 0.440 nan 8.250 nan 0.000 0.449 305 E N -0.488 119.371 120.200 -0.568 0.000 2.268 305 E HA -0.194 4.155 4.350 -0.000 0.000 0.195 305 E C 1.742 178.317 176.600 -0.042 0.000 0.995 305 E CA 0.860 57.079 56.400 -0.302 0.000 0.836 305 E CB -0.134 29.518 29.700 -0.080 0.000 0.763 305 E HN 0.521 nan 8.360 nan 0.000 0.491 306 Y N 1.057 121.255 120.300 -0.170 0.000 2.114 306 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 306 Y C 2.201 178.056 175.900 -0.074 0.000 1.143 306 Y CA 1.075 59.164 58.100 -0.017 0.000 1.135 306 Y CB -0.031 38.465 38.460 0.060 0.000 0.980 306 Y HN -0.038 nan 8.280 nan 0.000 0.499 307 L N -0.530 120.490 121.223 -0.337 0.000 2.275 307 L HA -0.186 4.154 4.340 -0.000 0.000 0.215 307 L C 2.126 178.858 176.870 -0.230 0.000 1.119 307 L CA 0.830 55.339 54.840 -0.551 0.000 0.790 307 L CB -0.641 41.064 42.059 -0.590 0.000 0.919 307 L HN 0.335 nan 8.230 nan 0.000 0.443 308 F N 0.219 120.009 119.950 -0.267 0.000 2.206 308 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 308 F C 2.280 178.019 175.800 -0.102 0.000 1.090 308 F CA 0.149 58.019 58.000 -0.217 0.000 1.323 308 F CB -0.121 38.751 39.000 -0.214 0.000 1.028 308 F HN 0.166 nan 8.300 nan 0.000 0.492 309 D N 0.438 120.922 120.400 0.140 0.000 2.144 309 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 309 D C 2.421 178.800 176.300 0.132 0.000 0.978 309 D CA 0.968 55.053 54.000 0.142 0.000 0.833 309 D CB -0.454 40.459 40.800 0.189 0.000 0.961 309 D HN 0.069 nan 8.370 nan 0.000 0.470 310 V N 1.998 121.927 119.914 0.025 0.000 2.278 310 V HA -0.317 3.803 4.120 -0.000 0.000 0.251 310 V C 2.649 178.990 176.094 0.412 0.000 1.062 310 V CA 2.112 64.499 62.300 0.145 0.000 1.038 310 V CB -0.865 30.889 31.823 -0.115 0.000 0.646 310 V HN 0.194 nan 8.190 nan 0.000 0.447 311 A N -0.234 122.727 122.820 0.235 0.000 1.902 311 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 311 A C 2.368 180.257 177.584 0.509 0.000 1.181 311 A CA 1.926 54.185 52.037 0.370 0.000 0.623 311 A CB -0.472 18.526 19.000 -0.005 0.000 0.818 311 A HN 0.554 nan 8.150 nan 0.000 0.443 312 R N -1.746 118.928 120.500 0.290 0.000 2.075 312 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 312 R C 2.126 178.609 176.300 0.305 0.000 1.126 312 R CA 1.281 57.532 56.100 0.252 0.000 0.963 312 R CB -0.572 29.817 30.300 0.150 0.000 0.858 312 R HN 0.658 nan 8.270 nan 0.000 0.435 313 F N 0.450 120.429 119.950 0.048 0.000 2.043 313 F HA -0.331 4.196 4.527 -0.000 0.000 0.297 313 F C 1.616 177.342 175.800 -0.124 0.000 1.118 313 F CA 1.386 59.303 58.000 -0.138 0.000 1.202 313 F CB -0.175 38.592 39.000 -0.388 0.000 0.965 313 F HN 0.071 nan 8.300 nan 0.000 0.482 314 W N 0.174 121.698 121.300 0.373 0.000 2.421 314 W HA -0.165 4.494 4.660 -0.001 0.000 0.270 314 W C 2.279 178.947 176.519 0.248 0.000 1.233 314 W CA 0.655 58.139 57.345 0.232 0.000 1.226 314 W CB -0.255 29.480 29.460 0.458 0.000 1.121 314 W HN 0.062 nan 8.180 nan 0.000 0.579 315 M N -0.679 119.185 119.600 0.440 0.000 2.510 315 M HA -0.038 4.442 4.480 -0.000 0.000 0.256 315 M C 1.567 178.007 176.300 0.235 0.000 1.132 315 M CA 1.025 56.516 55.300 0.318 0.000 1.105 315 M CB -0.086 32.705 32.600 0.319 0.000 1.375 315 M HN 0.001 nan 8.290 nan 0.000 0.477 316 E N 0.317 120.652 120.200 0.226 0.000 2.051 316 E HA -0.195 4.154 4.350 -0.000 0.000 0.192 316 E C 1.934 178.632 176.600 0.163 0.000 0.991 316 E CA 0.951 57.463 56.400 0.187 0.000 0.799 316 E CB 0.089 29.923 29.700 0.223 0.000 0.748 316 E HN 0.397 nan 8.360 nan 0.000 0.449 317 Q N -0.888 119.004 119.800 0.153 0.000 2.297 317 Q HA -0.107 4.233 4.340 -0.000 0.000 0.208 317 Q C 1.423 177.526 176.000 0.171 0.000 0.981 317 Q CA 1.404 57.303 55.803 0.159 0.000 0.876 317 Q CB 0.232 29.094 28.738 0.207 0.000 0.921 317 Q HN 0.482 nan 8.270 nan 0.000 0.446 318 G N 0.731 109.651 108.800 0.200 0.000 2.183 318 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.168 318 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.168 318 G C 0.270 175.310 174.900 0.235 0.000 1.008 318 G CA 0.014 45.225 45.100 0.185 0.000 0.677 318 G HN 0.398 nan 8.290 nan 0.000 0.498 319 I N -1.370 119.334 120.570 0.224 0.000 2.779 319 I HA 0.634 4.804 4.170 -0.000 0.000 0.285 319 I C 0.141 176.335 176.117 0.128 0.000 1.134 319 I CA -0.094 61.313 61.300 0.179 0.000 1.398 319 I CB 0.698 38.775 38.000 0.129 0.000 1.404 319 I HN -0.053 nan 8.210 nan 0.000 0.587 320 D N 3.182 123.653 120.400 0.117 0.000 2.643 320 D HA 0.532 5.172 4.640 -0.000 0.000 0.244 320 D C 0.140 176.552 176.300 0.187 0.000 1.257 320 D CA 0.027 54.105 54.000 0.130 0.000 0.831 320 D CB 0.866 41.695 40.800 0.049 0.000 1.043 320 D HN 1.064 nan 8.370 nan 0.000 0.488 321 G N -0.210 108.601 108.800 0.018 0.000 2.321 321 G HA2 0.175 4.134 3.960 -0.000 0.000 0.339 321 G HA3 0.175 4.134 3.960 -0.000 0.000 0.339 321 G C -1.775 173.060 174.900 -0.108 0.000 1.518 321 G CA -1.334 43.805 45.100 0.066 0.000 0.994 321 G HN 0.036 nan 8.290 nan 0.000 0.668 322 W N 0.493 121.918 121.300 0.208 0.000 2.655 322 W HA 0.859 5.519 4.660 -0.001 0.000 0.358 322 W C 0.378 176.871 176.519 -0.044 0.000 1.100 322 W CA -0.890 56.547 57.345 0.154 0.000 1.195 322 W CB 1.697 31.293 29.460 0.226 0.000 1.403 322 W HN 0.515 nan 8.180 nan 0.000 0.589 323 R N 2.204 122.792 120.500 0.147 0.000 2.534 323 R HA 0.517 4.856 4.340 -0.000 0.000 0.301 323 R C -1.739 174.449 176.300 -0.186 0.000 0.961 323 R CA -0.683 55.326 56.100 -0.152 0.000 0.871 323 R CB 1.002 31.252 30.300 -0.083 0.000 1.170 323 R HN 0.713 nan 8.270 nan 0.000 0.446 324 L N 3.747 124.677 121.223 -0.488 0.000 2.280 324 L HA 0.301 4.641 4.340 -0.000 0.000 0.287 324 L C -0.063 176.523 176.870 -0.474 0.000 1.023 324 L CA -0.832 53.656 54.840 -0.587 0.000 0.819 324 L CB 1.546 42.970 42.059 -1.057 0.000 1.212 324 L HN 0.563 nan 8.230 nan 0.000 0.420 325 D N 2.660 122.909 120.400 -0.251 0.000 2.249 325 D HA 0.304 4.943 4.640 -0.000 0.000 0.246 325 D C 0.569 176.822 176.300 -0.078 0.000 1.114 325 D CA -0.177 53.776 54.000 -0.079 0.000 0.854 325 D CB 1.093 41.968 40.800 0.124 0.000 1.132 325 D HN 0.303 nan 8.370 nan 0.000 0.461 326 V N 2.950 122.785 119.914 -0.131 0.000 4.935 326 V HA -0.337 3.783 4.120 -0.000 0.000 0.273 326 V C 1.794 177.785 176.094 -0.171 0.000 0.517 326 V CA 0.864 63.073 62.300 -0.151 0.000 0.745 326 V CB -2.775 29.006 31.823 -0.071 0.000 0.647 326 V HN 0.756 nan 8.190 nan 0.000 1.220 327 A N 1.639 124.271 122.820 -0.313 0.000 1.896 327 A HA -0.331 3.989 4.320 -0.000 0.000 0.220 327 A C 1.917 179.452 177.584 -0.081 0.000 1.206 327 A CA 2.750 54.628 52.037 -0.265 0.000 0.647 327 A CB -0.786 17.774 19.000 -0.734 0.000 0.828 327 A HN 1.243 nan 8.150 nan 0.000 0.455 328 N N -0.613 117.827 118.700 -0.434 0.000 2.503 328 N HA -0.165 4.575 4.740 -0.000 0.000 0.189 328 N C 0.967 176.507 175.510 0.051 0.000 1.048 328 N CA 1.334 54.195 53.050 -0.315 0.000 0.905 328 N CB -0.266 37.893 38.487 -0.546 0.000 0.951 328 N HN 0.688 nan 8.380 nan 0.000 0.446 329 E N 0.465 120.673 120.200 0.012 0.000 2.437 329 E HA 0.095 4.445 4.350 -0.000 0.000 0.195 329 E C -0.567 176.048 176.600 0.025 0.000 1.029 329 E CA -0.344 56.065 56.400 0.015 0.000 0.948 329 E CB 0.887 30.533 29.700 -0.090 0.000 1.082 329 E HN 0.329 nan 8.360 nan 0.000 0.456 330 V N 0.212 120.192 119.914 0.111 0.000 2.769 330 V HA 0.248 4.368 4.120 -0.000 0.000 0.312 330 V C -0.681 175.427 176.094 0.022 0.000 1.061 330 V CA -1.135 61.126 62.300 -0.065 0.000 0.931 330 V CB 1.905 33.455 31.823 -0.454 0.000 1.010 330 V HN 0.107 nan 8.190 nan 0.000 0.433 331 D N 3.380 123.758 120.400 -0.037 0.000 2.400 331 D HA 0.016 4.656 4.640 -0.000 0.000 0.238 331 D C 0.843 177.257 176.300 0.190 0.000 1.157 331 D CA 0.113 54.190 54.000 0.127 0.000 0.889 331 D CB 0.560 41.424 40.800 0.106 0.000 1.199 331 D HN 0.769 nan 8.370 nan 0.000 0.436 332 H N 0.779 119.972 119.070 0.204 0.000 2.457 332 H HA -0.062 4.493 4.556 -0.000 0.000 0.294 332 H C 1.876 177.314 175.328 0.184 0.000 1.064 332 H CA 1.317 57.503 56.048 0.230 0.000 1.330 332 H CB 0.242 30.030 29.762 0.044 0.000 1.395 332 H HN 0.643 nan 8.280 nan 0.000 0.541 333 A N 1.332 124.288 122.820 0.227 0.000 1.855 333 A HA -0.183 4.136 4.320 -0.000 0.000 0.215 333 A C 2.189 179.870 177.584 0.162 0.000 1.191 333 A CA 1.123 53.254 52.037 0.157 0.000 0.613 333 A CB -1.075 17.990 19.000 0.109 0.000 0.829 333 A HN 0.334 nan 8.150 nan 0.000 0.442 334 F N -0.553 119.378 119.950 -0.032 0.000 2.063 334 F HA -0.298 4.228 4.527 -0.001 0.000 0.298 334 F C 2.023 177.793 175.800 -0.050 0.000 1.105 334 F CA 2.165 60.111 58.000 -0.091 0.000 1.215 334 F CB -0.661 38.080 39.000 -0.432 0.000 0.972 334 F HN 0.434 nan 8.300 nan 0.000 0.483 335 W N -0.001 121.608 121.300 0.514 0.000 2.465 335 W HA -0.044 4.616 4.660 -0.001 0.000 0.268 335 W C 2.670 179.345 176.519 0.260 0.000 1.242 335 W CA 0.752 58.336 57.345 0.398 0.000 1.248 335 W CB -0.312 29.291 29.460 0.238 0.000 1.118 335 W HN -0.116 nan 8.180 nan 0.000 0.587 336 R N 0.307 121.003 120.500 0.326 0.000 2.073 336 R HA -0.101 4.238 4.340 -0.000 0.000 0.229 336 R C 1.896 178.271 176.300 0.125 0.000 1.120 336 R CA 1.532 57.752 56.100 0.199 0.000 0.967 336 R CB -0.204 30.176 30.300 0.134 0.000 0.862 336 R HN 0.219 nan 8.270 nan 0.000 0.436 337 E N -0.379 119.867 120.200 0.077 0.000 2.046 337 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 337 E C 1.566 177.991 176.600 -0.292 0.000 0.982 337 E CA 0.877 57.243 56.400 -0.057 0.000 0.800 337 E CB -0.134 29.594 29.700 0.046 0.000 0.756 337 E HN 0.168 nan 8.360 nan 0.000 0.449 338 F N 2.077 121.720 119.950 -0.512 0.000 2.037 338 F HA -0.383 4.144 4.527 -0.001 0.000 0.296 338 F C 2.554 178.272 175.800 -0.137 0.000 1.132 338 F CA 2.201 59.916 58.000 -0.476 0.000 1.211 338 F CB -0.116 38.900 39.000 0.026 0.000 0.951 338 F HN -0.151 nan 8.300 nan 0.000 0.503 339 R N 0.109 120.823 120.500 0.356 0.000 2.119 339 R HA -0.277 4.063 4.340 -0.000 0.000 0.246 339 R C 2.544 178.875 176.300 0.051 0.000 1.146 339 R CA 2.105 58.349 56.100 0.240 0.000 0.962 339 R CB -0.442 30.006 30.300 0.246 0.000 0.863 339 R HN 0.374 nan 8.270 nan 0.000 0.442 340 R N 0.156 120.644 120.500 -0.020 0.000 2.066 340 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 340 R C 2.369 178.596 176.300 -0.121 0.000 1.131 340 R CA 1.591 57.659 56.100 -0.054 0.000 0.955 340 R CB -0.385 29.882 30.300 -0.055 0.000 0.851 340 R HN 0.248 nan 8.270 nan 0.000 0.432 341 L N 0.561 121.622 121.223 -0.270 0.000 1.989 341 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 341 L C 2.147 178.887 176.870 -0.216 0.000 1.071 341 L CA 1.618 56.267 54.840 -0.318 0.000 0.749 341 L CB -0.548 41.139 42.059 -0.620 0.000 0.890 341 L HN 0.029 nan 8.230 nan 0.000 0.431 342 V N -0.610 119.152 119.914 -0.254 0.000 2.343 342 V HA -0.251 3.868 4.120 -0.000 0.000 0.247 342 V C 2.602 178.714 176.094 0.030 0.000 1.051 342 V CA 1.893 64.138 62.300 -0.092 0.000 1.036 342 V CB -0.448 31.340 31.823 -0.059 0.000 0.654 342 V HN 0.398 nan 8.190 nan 0.000 0.451 343 K N 0.370 120.787 120.400 0.028 0.000 2.366 343 K HA -0.026 4.294 4.320 -0.000 0.000 0.198 343 K C 2.239 178.869 176.600 0.050 0.000 1.044 343 K CA 1.103 57.431 56.287 0.070 0.000 0.973 343 K CB -0.181 32.366 32.500 0.078 0.000 0.767 343 K HN 0.670 nan 8.250 nan 0.000 0.475 344 S N -0.056 115.656 115.700 0.020 0.000 2.388 344 S HA -0.018 4.452 4.470 -0.000 0.000 0.223 344 S C 1.885 176.502 174.600 0.029 0.000 1.034 344 S CA 0.490 58.701 58.200 0.018 0.000 0.963 344 S CB -0.508 62.691 63.200 -0.001 0.000 0.827 344 S HN 0.171 nan 8.310 nan 0.000 0.481 345 L N 1.168 122.408 121.223 0.029 0.000 2.083 345 L HA 0.070 4.410 4.340 -0.000 0.000 0.209 345 L C 0.901 177.815 176.870 0.072 0.000 1.083 345 L CA 0.990 55.863 54.840 0.054 0.000 0.752 345 L CB -0.718 41.383 42.059 0.070 0.000 0.899 345 L HN 0.361 nan 8.230 nan 0.000 0.433 346 N N -1.011 117.741 118.700 0.086 0.000 2.533 346 N HA 0.207 4.947 4.740 -0.000 0.000 0.289 346 N C -2.223 173.347 175.510 0.100 0.000 1.103 346 N CA -1.797 51.309 53.050 0.095 0.000 0.877 346 N CB 1.967 40.527 38.487 0.122 0.000 1.419 346 N HN -0.312 nan 8.380 nan 0.000 0.517 347 P HA -0.079 nan 4.420 nan 0.000 0.217 347 P C -0.032 177.337 177.300 0.115 0.000 1.151 347 P CA 1.370 64.521 63.100 0.085 0.000 0.849 347 P CB 0.358 32.099 31.700 0.068 0.000 0.787 348 D N -1.510 118.985 120.400 0.158 0.000 2.368 348 D HA 0.169 4.808 4.640 -0.000 0.000 0.218 348 D C 0.362 176.878 176.300 0.359 0.000 1.112 348 D CA -0.017 54.141 54.000 0.263 0.000 0.834 348 D CB 0.086 41.114 40.800 0.381 0.000 0.953 348 D HN 0.064 nan 8.370 nan 0.000 0.505 349 A N 1.395 124.370 122.820 0.259 0.000 2.438 349 A HA 0.185 4.505 4.320 -0.000 0.000 0.280 349 A C 0.272 178.015 177.584 0.265 0.000 1.160 349 A CA -0.296 51.911 52.037 0.283 0.000 0.821 349 A CB 0.006 19.154 19.000 0.247 0.000 1.101 349 A HN 0.184 nan 8.150 nan 0.000 0.515 350 L N 3.132 124.515 121.223 0.267 0.000 2.467 350 L HA 0.392 4.731 4.340 -0.000 0.000 0.270 350 L C -0.105 176.858 176.870 0.156 0.000 1.205 350 L CA 0.630 55.536 54.840 0.110 0.000 0.828 350 L CB 0.410 42.480 42.059 0.018 0.000 1.101 350 L HN 0.600 nan 8.230 nan 0.000 0.479 351 I N 4.596 125.206 120.570 0.068 0.000 2.476 351 I HA 0.333 4.502 4.170 -0.000 0.000 0.281 351 I C -1.025 174.928 176.117 -0.274 0.000 1.040 351 I CA -0.482 60.861 61.300 0.070 0.000 1.094 351 I CB 1.644 39.803 38.000 0.265 0.000 1.219 351 I HN 0.215 nan 8.210 nan 0.000 0.450 352 V N 4.531 124.123 119.914 -0.537 0.000 2.815 352 V HA 0.814 4.933 4.120 -0.000 0.000 0.314 352 V C 0.426 175.891 176.094 -1.048 0.000 1.064 352 V CA -0.451 61.332 62.300 -0.861 0.000 0.952 352 V CB 2.114 33.159 31.823 -1.297 0.000 1.020 352 V HN 0.800 nan 8.190 nan 0.000 0.439 353 G N 1.251 109.359 108.800 -1.154 0.000 2.537 353 G HA2 0.722 4.682 3.960 -0.000 0.000 0.308 353 G HA3 0.722 4.682 3.960 -0.000 0.000 0.308 353 G C -1.062 173.280 174.900 -0.932 0.000 1.237 353 G CA -0.435 43.857 45.100 -1.347 0.000 0.968 353 G HN 1.088 nan 8.290 nan 0.000 0.481 354 A N 0.609 122.881 122.820 -0.914 0.000 2.328 354 A HA 0.755 5.075 4.320 -0.000 0.000 0.318 354 A C -0.789 176.059 177.584 -1.227 0.000 1.347 354 A CA -0.351 51.066 52.037 -1.033 0.000 0.842 354 A CB 0.068 18.661 19.000 -0.679 0.000 1.148 354 A HN 0.528 nan 8.150 nan 0.000 0.499 355 I N 0.665 120.412 120.570 -1.372 0.000 2.619 355 I HA 0.420 4.590 4.170 -0.000 0.000 0.292 355 I C -1.302 174.071 176.117 -1.241 0.000 1.100 355 I CA -0.089 60.473 61.300 -1.231 0.000 1.043 355 I CB 2.195 39.554 38.000 -1.069 0.000 1.239 355 I HN 0.725 nan 8.210 nan 0.000 0.420 356 W N 5.891 126.874 121.300 -0.527 0.000 1.817 356 W HA 0.533 5.192 4.660 -0.000 0.000 0.289 356 W C -0.211 176.072 176.519 -0.393 0.000 0.841 356 W CA -0.403 56.477 57.345 -0.775 0.000 2.216 356 W CB -0.098 28.953 29.460 -0.682 0.000 2.396 356 W HN 0.641 nan 8.180 nan 0.000 0.421 357 H N -2.837 116.151 119.070 -0.137 0.000 2.917 357 H HA 0.299 4.855 4.556 -0.001 0.000 0.299 357 H C -1.168 174.291 175.328 0.218 0.000 1.418 357 H CA -1.293 54.831 56.048 0.126 0.000 1.138 357 H CB 0.561 30.386 29.762 0.105 0.000 1.830 357 H HN -0.153 nan 8.280 nan 0.000 0.514 358 D N -0.152 120.573 120.400 0.542 0.000 2.487 358 D HA 0.281 4.921 4.640 -0.000 0.000 0.243 358 D C 0.514 177.107 176.300 0.488 0.000 1.154 358 D CA 0.766 55.040 54.000 0.456 0.000 0.876 358 D CB 0.885 41.878 40.800 0.321 0.000 1.161 358 D HN 0.784 nan 8.370 nan 0.000 0.478 359 A N 2.832 125.940 122.820 0.479 0.000 2.430 359 A HA 0.095 4.415 4.320 -0.000 0.000 0.243 359 A C 1.854 179.709 177.584 0.453 0.000 1.254 359 A CA 0.428 52.705 52.037 0.400 0.000 0.914 359 A CB -0.310 18.705 19.000 0.025 0.000 0.998 359 A HN 0.544 nan 8.150 nan 0.000 0.515 360 S N -0.393 115.629 115.700 0.536 0.000 2.419 360 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 360 S C 1.907 176.557 174.600 0.083 0.000 1.019 360 S CA 1.405 59.824 58.200 0.365 0.000 0.982 360 S CB -0.928 62.442 63.200 0.283 0.000 0.789 360 S HN 0.707 nan 8.310 nan 0.000 0.490 361 G N 0.021 108.794 108.800 -0.045 0.000 2.479 361 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.220 361 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.220 361 G C 1.070 175.648 174.900 -0.537 0.000 1.115 361 G CA 0.640 45.504 45.100 -0.395 0.000 0.757 361 G HN 0.657 nan 8.290 nan 0.000 0.560 362 W N -0.956 120.200 121.300 -0.240 0.000 2.993 362 W HA 0.361 5.021 4.660 -0.000 0.000 0.290 362 W C 0.726 176.951 176.519 -0.490 0.000 1.203 362 W CA -0.328 56.686 57.345 -0.551 0.000 1.582 362 W CB 0.266 29.097 29.460 -1.048 0.000 1.033 362 W HN -0.006 nan 8.180 nan 0.000 0.594 363 L N 0.888 122.015 121.223 -0.159 0.000 2.688 363 L HA 0.089 4.428 4.340 -0.000 0.000 0.234 363 L C 1.515 178.143 176.870 -0.403 0.000 1.192 363 L CA 0.488 55.194 54.840 -0.222 0.000 0.984 363 L CB -0.981 40.969 42.059 -0.182 0.000 1.232 363 L HN -0.087 nan 8.230 nan 0.000 0.465 364 M N -0.606 118.740 119.600 -0.423 0.000 2.686 364 M HA 0.131 4.611 4.480 -0.000 0.000 0.246 364 M C 1.650 177.551 176.300 -0.664 0.000 1.096 364 M CA 0.709 55.768 55.300 -0.402 0.000 1.076 364 M CB -0.693 31.767 32.600 -0.233 0.000 1.504 364 M HN 0.442 nan 8.290 nan 0.000 0.524 365 G N 0.993 108.967 108.800 -1.377 0.000 2.339 365 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.209 365 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.209 365 G C 0.525 175.130 174.900 -0.491 0.000 1.015 365 G CA 0.415 44.811 45.100 -1.173 0.000 0.635 365 G HN 0.514 nan 8.290 nan 0.000 0.499 366 D N 0.024 120.223 120.400 -0.335 0.000 2.417 366 D HA 0.251 4.891 4.640 -0.000 0.000 0.207 366 D C 1.856 178.124 176.300 -0.053 0.000 1.075 366 D CA 1.077 55.003 54.000 -0.124 0.000 0.851 366 D CB -0.079 40.676 40.800 -0.075 0.000 0.976 366 D HN 0.515 nan 8.370 nan 0.000 0.505 367 Q N -0.954 118.771 119.800 -0.125 0.000 2.581 367 Q HA 0.333 4.673 4.340 -0.000 0.000 0.222 367 Q C -0.044 176.037 176.000 0.134 0.000 0.904 367 Q CA 0.333 56.115 55.803 -0.034 0.000 0.923 367 Q CB 1.108 29.707 28.738 -0.231 0.000 1.117 367 Q HN 0.184 nan 8.270 nan 0.000 0.618 368 F N -0.337 119.601 119.950 -0.021 0.000 2.640 368 F HA 0.315 4.842 4.527 -0.000 0.000 0.324 368 F C 0.242 176.052 175.800 0.016 0.000 1.077 368 F CA -1.276 56.682 58.000 -0.070 0.000 0.965 368 F CB 1.541 40.398 39.000 -0.237 0.000 1.351 368 F HN -0.132 nan 8.300 nan 0.000 0.487 369 D N 0.028 120.525 120.400 0.162 0.000 2.305 369 D HA 0.054 4.693 4.640 -0.000 0.000 0.206 369 D C 0.158 176.425 176.300 -0.055 0.000 0.974 369 D CA 0.903 54.956 54.000 0.088 0.000 0.871 369 D CB 0.447 41.192 40.800 -0.092 0.000 0.947 369 D HN 0.421 nan 8.370 nan 0.000 0.516 370 S N -0.862 114.726 115.700 -0.186 0.000 2.611 370 S HA 0.503 4.973 4.470 -0.000 0.000 0.270 370 S C -0.662 173.688 174.600 -0.418 0.000 1.131 370 S CA -0.950 57.066 58.200 -0.307 0.000 0.826 370 S CB 1.766 64.712 63.200 -0.423 0.000 1.095 370 S HN -0.020 nan 8.310 nan 0.000 0.461 371 V N -1.666 118.006 119.914 -0.404 0.000 3.181 371 V HA 0.739 4.858 4.120 -0.000 0.000 0.314 371 V C -0.187 175.710 176.094 -0.328 0.000 1.173 371 V CA -1.463 60.563 62.300 -0.455 0.000 1.052 371 V CB 1.277 32.851 31.823 -0.414 0.000 1.123 371 V HN 0.913 nan 8.190 nan 0.000 0.454 372 M N 3.004 122.430 119.600 -0.291 0.000 2.219 372 M HA 0.279 4.759 4.480 -0.000 0.000 0.353 372 M C 0.107 176.477 176.300 0.117 0.000 1.304 372 M CA 0.185 55.478 55.300 -0.012 0.000 1.115 372 M CB -0.591 32.016 32.600 0.013 0.000 1.664 372 M HN 0.842 nan 8.290 nan 0.000 0.459 373 N N 3.614 122.422 118.700 0.180 0.000 2.739 373 N HA 0.004 4.743 4.740 -0.000 0.000 0.266 373 N C 0.688 176.435 175.510 0.395 0.000 1.168 373 N CA -0.026 53.168 53.050 0.241 0.000 1.055 373 N CB -0.171 38.388 38.487 0.120 0.000 1.393 373 N HN 0.580 nan 8.380 nan 0.000 0.514 374 Y N 0.692 121.163 120.300 0.284 0.000 2.274 374 Y HA -0.100 4.450 4.550 -0.000 0.000 0.290 374 Y C 1.210 177.250 175.900 0.232 0.000 1.145 374 Y CA 0.260 58.536 58.100 0.294 0.000 1.203 374 Y CB 0.033 38.721 38.460 0.380 0.000 0.984 374 Y HN 0.158 nan 8.280 nan 0.000 0.533 375 L N 0.186 121.318 121.223 -0.153 0.000 2.141 375 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 375 L C 2.309 179.220 176.870 0.069 0.000 1.094 375 L CA 1.229 55.921 54.840 -0.247 0.000 0.763 375 L CB -1.646 40.259 42.059 -0.256 0.000 0.908 375 L HN 0.462 nan 8.230 nan 0.000 0.437 376 F N 0.139 120.112 119.950 0.039 0.000 2.234 376 F HA -0.159 4.367 4.527 -0.001 0.000 0.299 376 F C 2.695 178.564 175.800 0.115 0.000 1.087 376 F CA 1.238 59.298 58.000 0.100 0.000 1.340 376 F CB -0.160 38.925 39.000 0.140 0.000 1.031 376 F HN -0.027 nan 8.300 nan 0.000 0.500 377 R N 0.716 121.421 120.500 0.341 0.000 2.066 377 R HA -0.142 4.197 4.340 -0.000 0.000 0.232 377 R C 2.150 178.523 176.300 0.120 0.000 1.131 377 R CA 1.968 58.197 56.100 0.215 0.000 0.955 377 R CB -0.390 30.023 30.300 0.190 0.000 0.851 377 R HN 0.402 nan 8.270 nan 0.000 0.432 378 E N -0.100 120.156 120.200 0.094 0.000 2.058 378 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 378 E C 2.042 178.667 176.600 0.041 0.000 0.997 378 E CA 1.682 58.112 56.400 0.051 0.000 0.801 378 E CB -0.071 29.631 29.700 0.004 0.000 0.746 378 E HN 0.278 nan 8.360 nan 0.000 0.450 379 S N 0.834 116.551 115.700 0.029 0.000 2.368 379 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 379 S C 2.415 177.066 174.600 0.084 0.000 1.030 379 S CA 1.496 59.723 58.200 0.045 0.000 0.999 379 S CB -0.297 62.916 63.200 0.022 0.000 0.844 379 S HN 0.327 nan 8.310 nan 0.000 0.459 380 V N -0.161 119.792 119.914 0.064 0.000 2.719 380 V HA 0.076 4.196 4.120 -0.000 0.000 0.252 380 V C 1.824 178.126 176.094 0.347 0.000 1.065 380 V CA 0.890 63.314 62.300 0.206 0.000 1.086 380 V CB -0.874 30.956 31.823 0.012 0.000 0.700 380 V HN 0.383 nan 8.190 nan 0.000 0.467 381 I N 0.693 121.429 120.570 0.277 0.000 2.113 381 I HA -0.189 3.981 4.170 -0.000 0.000 0.238 381 I C 3.081 179.267 176.117 0.115 0.000 1.070 381 I CA 2.144 63.613 61.300 0.282 0.000 1.332 381 I CB -0.380 37.725 38.000 0.174 0.000 1.044 381 I HN 0.201 nan 8.210 nan 0.000 0.402 382 R N -0.009 120.524 120.500 0.055 0.000 2.082 382 R HA -0.221 4.119 4.340 -0.000 0.000 0.234 382 R C 2.350 178.626 176.300 -0.040 0.000 1.136 382 R CA 1.992 58.090 56.100 -0.005 0.000 0.935 382 R CB -0.797 29.491 30.300 -0.020 0.000 0.842 382 R HN 0.218 nan 8.270 nan 0.000 0.430 383 F N 0.928 120.659 119.950 -0.364 0.000 2.031 383 F HA -0.151 4.376 4.527 -0.000 0.000 0.295 383 F C 1.859 177.336 175.800 -0.539 0.000 1.133 383 F CA 1.350 58.938 58.000 -0.687 0.000 1.188 383 F CB -0.553 37.551 39.000 -1.493 0.000 0.974 383 F HN -0.137 nan 8.300 nan 0.000 0.473 384 F N -0.147 119.656 119.950 -0.245 0.000 2.149 384 F HA 0.076 4.602 4.527 -0.000 0.000 0.294 384 F C 2.473 178.158 175.800 -0.192 0.000 1.095 384 F CA 0.972 58.806 58.000 -0.276 0.000 1.276 384 F CB -1.225 37.719 39.000 -0.095 0.000 1.023 384 F HN 0.064 nan 8.300 nan 0.000 0.480 385 A N 0.242 123.073 122.820 0.018 0.000 1.859 385 A HA -0.058 4.261 4.320 -0.000 0.000 0.212 385 A C 2.109 179.629 177.584 -0.107 0.000 1.238 385 A CA 1.626 53.569 52.037 -0.157 0.000 0.613 385 A CB -1.342 17.477 19.000 -0.303 0.000 0.904 385 A HN 0.322 nan 8.150 nan 0.000 0.457 386 T N -3.385 111.126 114.554 -0.072 0.000 3.088 386 T HA 0.363 4.713 4.350 -0.000 0.000 0.259 386 T C 1.584 176.251 174.700 -0.055 0.000 1.122 386 T CA 1.195 63.260 62.100 -0.059 0.000 1.095 386 T CB 0.054 68.897 68.868 -0.041 0.000 0.930 386 T HN 1.693 nan 8.240 nan 0.000 0.508 387 G N 2.614 111.371 108.800 -0.072 0.000 2.377 387 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.250 387 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.250 387 G C 0.845 175.722 174.900 -0.039 0.000 1.039 387 G CA 0.611 45.669 45.100 -0.070 0.000 0.625 387 G HN 0.761 nan 8.290 nan 0.000 0.526 388 E N 0.810 120.989 120.200 -0.036 0.000 2.448 388 E HA 0.044 4.394 4.350 -0.000 0.000 0.203 388 E C 1.343 177.914 176.600 -0.048 0.000 1.046 388 E CA 1.084 57.466 56.400 -0.031 0.000 0.871 388 E CB -0.484 29.198 29.700 -0.030 0.000 0.790 388 E HN 1.023 nan 8.360 nan 0.000 0.545 389 I N -1.929 118.604 120.570 -0.061 0.000 3.002 389 I HA 0.537 4.707 4.170 -0.000 0.000 0.310 389 I C -0.530 175.515 176.117 -0.121 0.000 1.087 389 I CA -1.651 59.548 61.300 -0.167 0.000 1.017 389 I CB 1.759 39.634 38.000 -0.209 0.000 1.226 389 I HN -0.075 nan 8.210 nan 0.000 0.443 390 H N 2.023 121.081 119.070 -0.020 0.000 2.737 390 H HA 0.778 5.334 4.556 -0.001 0.000 0.358 390 H C 0.799 176.038 175.328 -0.148 0.000 1.187 390 H CA -0.539 55.523 56.048 0.022 0.000 1.221 390 H CB 1.114 30.880 29.762 0.006 0.000 1.799 390 H HN 0.721 nan 8.280 nan 0.000 0.568 391 A N 0.462 123.318 122.820 0.060 0.000 1.997 391 A HA -0.268 4.052 4.320 -0.000 0.000 0.221 391 A C 1.922 179.427 177.584 -0.132 0.000 1.172 391 A CA 2.096 54.000 52.037 -0.221 0.000 0.645 391 A CB -1.020 18.029 19.000 0.082 0.000 0.813 391 A HN 0.882 nan 8.150 nan 0.000 0.454 392 E N -1.130 119.149 120.200 0.131 0.000 2.007 392 E HA -0.239 4.110 4.350 -0.000 0.000 0.194 392 E C 2.303 178.844 176.600 -0.099 0.000 0.999 392 E CA 1.390 57.831 56.400 0.069 0.000 0.811 392 E CB -0.186 29.625 29.700 0.185 0.000 0.762 392 E HN 0.493 nan 8.360 nan 0.000 0.450 393 R N 0.610 120.967 120.500 -0.239 0.000 2.154 393 R HA -0.186 4.154 4.340 -0.000 0.000 0.248 393 R C 1.941 178.061 176.300 -0.299 0.000 1.155 393 R CA 1.397 57.308 56.100 -0.315 0.000 0.979 393 R CB -0.712 29.307 30.300 -0.469 0.000 0.869 393 R HN 0.256 nan 8.270 nan 0.000 0.452 394 F N 0.399 119.973 119.950 -0.628 0.000 2.046 394 F HA -0.284 4.243 4.527 -0.000 0.000 0.297 394 F C 2.177 177.564 175.800 -0.690 0.000 1.123 394 F CA 1.829 59.340 58.000 -0.815 0.000 1.199 394 F CB -0.327 37.825 39.000 -1.414 0.000 0.972 394 F HN 0.157 nan 8.300 nan 0.000 0.474 395 D N 0.542 120.495 120.400 -0.744 0.000 2.158 395 D HA -0.214 4.426 4.640 -0.000 0.000 0.197 395 D C 2.158 178.274 176.300 -0.307 0.000 0.995 395 D CA 1.368 55.000 54.000 -0.613 0.000 0.846 395 D CB -0.252 40.363 40.800 -0.308 0.000 0.941 395 D HN 0.393 nan 8.370 nan 0.000 0.456 396 A N 0.801 123.486 122.820 -0.225 0.000 1.873 396 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 396 A C 2.176 179.680 177.584 -0.133 0.000 1.186 396 A CA 1.496 53.460 52.037 -0.121 0.000 0.616 396 A CB -0.455 18.486 19.000 -0.098 0.000 0.823 396 A HN 0.285 nan 8.150 nan 0.000 0.442 397 E N -0.517 119.564 120.200 -0.198 0.000 2.047 397 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 397 E C 1.934 178.433 176.600 -0.168 0.000 0.987 397 E CA 1.002 57.305 56.400 -0.161 0.000 0.799 397 E CB -0.346 29.258 29.700 -0.161 0.000 0.752 397 E HN 0.385 nan 8.360 nan 0.000 0.449 398 L N 1.078 122.121 121.223 -0.298 0.000 1.976 398 L HA -0.266 4.073 4.340 -0.000 0.000 0.223 398 L C 2.552 179.389 176.870 -0.056 0.000 1.081 398 L CA 2.144 56.854 54.840 -0.217 0.000 0.784 398 L CB -1.375 40.413 42.059 -0.452 0.000 0.896 398 L HN 0.143 nan 8.230 nan 0.000 0.438 399 T N -1.330 113.183 114.554 -0.069 0.000 2.720 399 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 399 T C 2.044 176.745 174.700 0.001 0.000 1.037 399 T CA 1.512 63.612 62.100 -0.001 0.000 1.144 399 T CB -0.257 68.641 68.868 0.049 0.000 0.864 399 T HN 0.253 nan 8.240 nan 0.000 0.444 400 R N 0.773 121.293 120.500 0.032 0.000 2.096 400 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 400 R C 2.522 178.787 176.300 -0.059 0.000 1.127 400 R CA 1.335 57.471 56.100 0.060 0.000 0.968 400 R CB -0.342 29.995 30.300 0.061 0.000 0.861 400 R HN 0.401 nan 8.270 nan 0.000 0.440 401 A N 1.719 124.498 122.820 -0.068 0.000 1.872 401 A HA -0.166 4.153 4.320 -0.000 0.000 0.214 401 A C 2.048 179.553 177.584 -0.131 0.000 1.187 401 A CA 1.334 53.318 52.037 -0.088 0.000 0.614 401 A CB -0.457 18.531 19.000 -0.019 0.000 0.826 401 A HN 0.534 nan 8.150 nan 0.000 0.442 402 R N -1.078 119.367 120.500 -0.092 0.000 2.293 402 R HA 0.049 4.389 4.340 -0.000 0.000 0.219 402 R C 0.999 177.170 176.300 -0.216 0.000 1.091 402 R CA 1.454 57.485 56.100 -0.114 0.000 1.004 402 R CB -0.252 29.992 30.300 -0.093 0.000 0.865 402 R HN 0.351 nan 8.270 nan 0.000 0.469 403 M N 0.225 119.627 119.600 -0.331 0.000 2.371 403 M HA 0.117 4.597 4.480 -0.000 0.000 0.246 403 M C 1.007 177.050 176.300 -0.429 0.000 1.103 403 M CA -0.029 55.003 55.300 -0.448 0.000 1.010 403 M CB 0.133 32.225 32.600 -0.847 0.000 1.457 403 M HN 0.129 nan 8.290 nan 0.000 0.486 404 L N -0.265 120.682 121.223 -0.460 0.000 2.043 404 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 404 L C 0.289 176.740 176.870 -0.698 0.000 1.075 404 L CA 1.824 56.256 54.840 -0.681 0.000 0.752 404 L CB -0.561 40.832 42.059 -1.111 0.000 0.891 404 L HN 0.191 nan 8.230 nan 0.000 0.432 405 Y N -2.980 117.246 120.300 -0.123 0.000 2.576 405 Y HA 0.423 4.972 4.550 -0.000 0.000 0.346 405 Y C -2.022 173.761 175.900 -0.195 0.000 1.018 405 Y CA -2.970 55.059 58.100 -0.119 0.000 1.050 405 Y CB 0.600 39.018 38.460 -0.070 0.000 1.280 405 Y HN -0.284 nan 8.280 nan 0.000 0.474 406 P HA -0.091 nan 4.420 nan 0.000 0.264 406 P C 0.420 177.549 177.300 -0.284 0.000 1.179 406 P CA 0.489 63.263 63.100 -0.543 0.000 0.763 406 P CB 0.548 31.965 31.700 -0.471 0.000 0.806 407 E N 2.178 122.209 120.200 -0.281 0.000 2.268 407 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 407 E C 0.884 177.360 176.600 -0.206 0.000 0.995 407 E CA 1.108 57.422 56.400 -0.143 0.000 0.836 407 E CB -0.320 29.356 29.700 -0.041 0.000 0.763 407 E HN 0.414 nan 8.360 nan 0.000 0.491 408 Q N 1.174 120.791 119.800 -0.304 0.000 2.119 408 Q HA -0.018 4.321 4.340 -0.000 0.000 0.201 408 Q C 2.207 177.894 176.000 -0.521 0.000 0.972 408 Q CA 1.939 57.450 55.803 -0.486 0.000 0.847 408 Q CB -0.253 27.989 28.738 -0.826 0.000 0.903 408 Q HN 0.463 nan 8.270 nan 0.000 0.433 409 A N 0.616 123.233 122.820 -0.339 0.000 1.897 409 A HA 0.005 4.325 4.320 -0.000 0.000 0.215 409 A C 2.256 179.750 177.584 -0.151 0.000 1.181 409 A CA 1.479 53.413 52.037 -0.172 0.000 0.620 409 A CB -0.944 18.075 19.000 0.032 0.000 0.821 409 A HN 0.363 nan 8.150 nan 0.000 0.443 410 A N -0.562 122.203 122.820 -0.092 0.000 1.902 410 A HA -0.194 4.125 4.320 -0.000 0.000 0.217 410 A C 2.013 179.508 177.584 -0.149 0.000 1.181 410 A CA 1.565 53.566 52.037 -0.061 0.000 0.623 410 A CB -0.593 18.366 19.000 -0.068 0.000 0.818 410 A HN 0.625 nan 8.150 nan 0.000 0.443 411 Q N -1.094 118.594 119.800 -0.186 0.000 2.508 411 Q HA -0.006 4.334 4.340 -0.000 0.000 0.214 411 Q C 1.068 176.948 176.000 -0.202 0.000 0.979 411 Q CA 0.716 56.395 55.803 -0.207 0.000 0.911 411 Q CB -0.091 28.529 28.738 -0.198 0.000 0.969 411 Q HN 0.641 nan 8.270 nan 0.000 0.504 412 G N -0.445 108.235 108.800 -0.199 0.000 4.424 412 G HA2 0.282 4.241 3.960 -0.000 0.000 0.287 412 G HA3 0.282 4.241 3.960 -0.000 0.000 0.287 412 G C -0.215 174.592 174.900 -0.156 0.000 1.023 412 G CA -0.413 44.580 45.100 -0.179 0.000 0.790 412 G HN 0.015 nan 8.290 nan 0.000 0.468 413 L N 0.300 121.441 121.223 -0.137 0.000 2.452 413 L HA 0.324 4.664 4.340 -0.000 0.000 0.267 413 L C 0.128 177.004 176.870 0.011 0.000 1.188 413 L CA -0.837 53.935 54.840 -0.115 0.000 0.821 413 L CB 0.708 42.729 42.059 -0.065 0.000 1.102 413 L HN 0.093 nan 8.230 nan 0.000 0.470 414 W N 2.803 123.983 121.300 -0.200 0.000 2.481 414 W HA 0.149 4.809 4.660 -0.000 0.000 0.320 414 W C 0.051 176.432 176.519 -0.230 0.000 1.209 414 W CA -1.005 56.217 57.345 -0.205 0.000 1.400 414 W CB -0.342 29.001 29.460 -0.195 0.000 1.361 414 W HN 0.393 nan 8.180 nan 0.000 0.456 415 N N 5.159 123.734 118.700 -0.209 0.000 2.508 415 N HA 0.085 4.825 4.740 -0.000 0.000 0.253 415 N C -0.283 175.035 175.510 -0.320 0.000 1.145 415 N CA -0.119 52.572 53.050 -0.598 0.000 0.973 415 N CB 0.529 38.266 38.487 -1.250 0.000 1.305 415 N HN 0.392 nan 8.380 nan 0.000 0.506 416 L N 0.339 121.535 121.223 -0.045 0.000 2.312 416 L HA 0.403 4.742 4.340 -0.000 0.000 0.281 416 L C 0.740 177.690 176.870 0.134 0.000 1.070 416 L CA -0.625 54.238 54.840 0.038 0.000 0.805 416 L CB 0.991 43.078 42.059 0.048 0.000 1.174 416 L HN 0.253 nan 8.230 nan 0.000 0.434 417 L N 1.564 122.778 121.223 -0.015 0.000 2.095 417 L HA 0.120 4.459 4.340 -0.000 0.000 0.204 417 L C 0.145 176.933 176.870 -0.137 0.000 1.080 417 L CA 0.752 55.446 54.840 -0.243 0.000 0.759 417 L CB -0.406 41.266 42.059 -0.644 0.000 0.914 417 L HN 0.889 nan 8.230 nan 0.000 0.439 418 D N -2.724 117.613 120.400 -0.105 0.000 2.677 418 D HA 0.492 5.132 4.640 -0.000 0.000 0.298 418 D C -0.714 175.386 176.300 -0.334 0.000 1.250 418 D CA -0.552 53.363 54.000 -0.142 0.000 0.888 418 D CB 1.853 42.610 40.800 -0.070 0.000 1.397 418 D HN -0.137 nan 8.370 nan 0.000 0.461 419 S N -2.063 113.330 115.700 -0.511 0.000 2.672 419 S HA 0.284 4.753 4.470 -0.000 0.000 0.271 419 S C 0.018 174.139 174.600 -0.798 0.000 1.171 419 S CA -0.610 57.170 58.200 -0.701 0.000 0.817 419 S CB 0.516 63.466 63.200 -0.416 0.000 1.150 419 S HN 0.660 nan 8.310 nan 0.000 0.478 420 H N 0.602 119.375 119.070 -0.494 0.000 2.563 420 H HA 0.234 4.790 4.556 -0.000 0.000 0.272 420 H C -0.010 175.206 175.328 -0.188 0.000 1.005 420 H CA 0.584 56.482 56.048 -0.250 0.000 1.171 420 H CB -0.203 29.470 29.762 -0.147 0.000 1.351 420 H HN 0.466 nan 8.280 nan 0.000 0.602 421 D N 1.303 121.395 120.400 -0.512 0.000 2.441 421 D HA 0.031 4.671 4.640 -0.000 0.000 0.210 421 D C 0.808 176.956 176.300 -0.253 0.000 1.102 421 D CA 0.501 54.293 54.000 -0.347 0.000 0.840 421 D CB 1.135 41.684 40.800 -0.418 0.000 0.990 421 D HN 0.509 nan 8.370 nan 0.000 0.505 422 T N -1.134 113.268 114.554 -0.253 0.000 2.940 422 T HA 0.504 4.854 4.350 -0.000 0.000 0.288 422 T C -0.007 174.623 174.700 -0.116 0.000 1.045 422 T CA -0.864 61.131 62.100 -0.175 0.000 1.018 422 T CB 2.445 71.207 68.868 -0.178 0.000 1.151 422 T HN -0.142 nan 8.240 nan 0.000 0.529 423 E N 0.550 120.711 120.200 -0.065 0.000 2.392 423 E HA 0.392 4.741 4.350 -0.000 0.000 0.259 423 E C -0.030 176.570 176.600 -0.000 0.000 1.108 423 E CA -0.844 55.538 56.400 -0.030 0.000 0.916 423 E CB 0.632 30.319 29.700 -0.021 0.000 0.989 423 E HN 0.583 nan 8.360 nan 0.000 0.432 424 R N 0.683 121.203 120.500 0.033 0.000 2.531 424 R HA 0.166 4.505 4.340 -0.000 0.000 0.273 424 R C 0.070 176.498 176.300 0.213 0.000 1.070 424 R CA -0.461 55.701 56.100 0.105 0.000 1.112 424 R CB 0.304 30.667 30.300 0.105 0.000 1.049 424 R HN 0.690 nan 8.270 nan 0.000 0.508 425 F N 2.546 122.595 119.950 0.166 0.000 2.748 425 F HA -0.052 4.475 4.527 -0.000 0.000 0.299 425 F C 1.270 177.274 175.800 0.340 0.000 1.154 425 F CA 0.550 58.658 58.000 0.180 0.000 1.446 425 F CB 0.258 39.304 39.000 0.078 0.000 1.112 425 F HN 0.426 nan 8.300 nan 0.000 0.584 426 L N -0.354 121.098 121.223 0.383 0.000 2.162 426 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 426 L C 2.255 179.121 176.870 -0.007 0.000 1.086 426 L CA 1.787 56.722 54.840 0.159 0.000 0.778 426 L CB -1.378 40.620 42.059 -0.102 0.000 0.928 426 L HN 0.018 nan 8.230 nan 0.000 0.446 427 T N -0.395 114.157 114.554 -0.004 0.000 2.699 427 T HA -0.177 4.172 4.350 -0.000 0.000 0.268 427 T C 1.981 176.631 174.700 -0.082 0.000 1.036 427 T CA 1.729 63.805 62.100 -0.040 0.000 1.147 427 T CB -0.262 68.593 68.868 -0.021 0.000 0.862 427 T HN 0.414 nan 8.240 nan 0.000 0.446 428 S N 0.898 116.528 115.700 -0.117 0.000 2.374 428 S HA -0.138 4.332 4.470 -0.000 0.000 0.227 428 S C 2.054 176.485 174.600 -0.282 0.000 1.037 428 S CA 1.217 59.292 58.200 -0.207 0.000 1.024 428 S CB -0.633 62.388 63.200 -0.298 0.000 0.861 428 S HN 0.625 nan 8.310 nan 0.000 0.456 429 C N 1.808 120.905 119.300 -0.339 0.000 2.578 429 C HA 0.500 4.960 4.460 -0.000 0.000 0.285 429 C C 1.774 176.671 174.990 -0.154 0.000 1.297 429 C CA -0.761 58.102 59.018 -0.259 0.000 1.690 429 C CB -1.787 25.804 27.740 -0.248 0.000 1.773 429 C HN 0.723 nan 8.230 nan 0.000 0.594 430 G N 0.925 109.650 108.800 -0.125 0.000 2.393 430 G HA2 0.101 4.061 3.960 -0.000 0.000 0.299 430 G HA3 0.101 4.061 3.960 -0.000 0.000 0.299 430 G C 1.067 175.915 174.900 -0.087 0.000 0.990 430 G CA 0.604 45.650 45.100 -0.090 0.000 1.118 430 G HN 1.538 nan 8.290 nan 0.000 0.513 431 G N -0.876 107.870 108.800 -0.090 0.000 2.225 431 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.254 431 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.254 431 G C 0.450 175.288 174.900 -0.103 0.000 0.988 431 G CA 0.677 45.722 45.100 -0.092 0.000 0.625 431 G HN 1.365 nan 8.290 nan 0.000 0.527 432 N N 1.083 119.715 118.700 -0.113 0.000 2.420 432 N HA 0.186 4.926 4.740 -0.000 0.000 0.262 432 N C 1.026 176.461 175.510 -0.125 0.000 1.144 432 N CA 0.559 53.525 53.050 -0.140 0.000 0.952 432 N CB 0.875 39.249 38.487 -0.188 0.000 1.081 432 N HN 0.589 nan 8.380 nan 0.000 0.480 433 E N 3.155 123.281 120.200 -0.124 0.000 2.371 433 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 433 E C 1.361 177.901 176.600 -0.099 0.000 1.012 433 E CA 0.348 56.697 56.400 -0.084 0.000 0.860 433 E CB 0.194 29.826 29.700 -0.114 0.000 0.811 433 E HN 0.727 nan 8.360 nan 0.000 0.502 434 A N 1.231 123.914 122.820 -0.229 0.000 1.898 434 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 434 A C 1.980 179.317 177.584 -0.412 0.000 1.181 434 A CA 1.238 53.079 52.037 -0.326 0.000 0.620 434 A CB -0.171 18.524 19.000 -0.509 0.000 0.819 434 A HN 0.082 nan 8.150 nan 0.000 0.442 435 K N -1.467 118.618 120.400 -0.526 0.000 2.026 435 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 435 K C 1.764 178.332 176.600 -0.055 0.000 1.048 435 K CA 1.581 57.684 56.287 -0.306 0.000 0.929 435 K CB -0.358 31.989 32.500 -0.255 0.000 0.713 435 K HN 0.463 nan 8.250 nan 0.000 0.439 436 F N 2.015 121.898 119.950 -0.112 0.000 2.065 436 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 436 F C 2.259 178.109 175.800 0.084 0.000 1.112 436 F CA 1.577 59.621 58.000 0.074 0.000 1.212 436 F CB 0.028 39.066 39.000 0.063 0.000 0.975 436 F HN -0.084 nan 8.300 nan 0.000 0.476 437 R N -0.332 120.332 120.500 0.272 0.000 2.105 437 R HA -0.195 4.145 4.340 -0.000 0.000 0.239 437 R C 2.086 178.511 176.300 0.207 0.000 1.135 437 R CA 1.632 57.879 56.100 0.245 0.000 0.967 437 R CB -0.793 29.404 30.300 -0.172 0.000 0.861 437 R HN 0.333 nan 8.270 nan 0.000 0.442 438 L N 0.453 121.701 121.223 0.042 0.000 2.109 438 L HA 0.004 4.343 4.340 -0.000 0.000 0.207 438 L C 2.219 178.873 176.870 -0.361 0.000 1.086 438 L CA 1.570 56.401 54.840 -0.014 0.000 0.760 438 L CB -0.433 41.671 42.059 0.076 0.000 0.910 438 L HN 0.092 nan 8.230 nan 0.000 0.437 439 A N -1.446 121.017 122.820 -0.595 0.000 1.972 439 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 439 A C 2.197 179.542 177.584 -0.399 0.000 1.169 439 A CA 1.789 53.304 52.037 -0.870 0.000 0.635 439 A CB -0.774 17.996 19.000 -0.382 0.000 0.810 439 A HN 0.283 nan 8.150 nan 0.000 0.446 440 V N -0.716 119.035 119.914 -0.272 0.000 2.649 440 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 440 V C 2.363 178.326 176.094 -0.219 0.000 1.054 440 V CA 1.438 63.560 62.300 -0.296 0.000 1.073 440 V CB -0.429 31.156 31.823 -0.398 0.000 0.699 440 V HN 0.602 nan 8.190 nan 0.000 0.463 441 L N -0.907 120.267 121.223 -0.082 0.000 2.141 441 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 441 L C 2.138 179.082 176.870 0.124 0.000 1.094 441 L CA 1.639 56.457 54.840 -0.037 0.000 0.763 441 L CB -0.271 41.870 42.059 0.137 0.000 0.908 441 L HN 0.372 nan 8.230 nan 0.000 0.437 442 F N -0.003 119.950 119.950 0.005 0.000 2.039 442 F HA -0.307 4.220 4.527 -0.001 0.000 0.294 442 F C 2.678 178.634 175.800 0.259 0.000 1.130 442 F CA 1.950 60.081 58.000 0.217 0.000 1.189 442 F CB -0.261 38.869 39.000 0.216 0.000 0.983 442 F HN 0.080 nan 8.300 nan 0.000 0.471 443 Q N -0.137 119.734 119.800 0.118 0.000 2.133 443 Q HA -0.273 4.067 4.340 -0.000 0.000 0.208 443 Q C 2.003 177.982 176.000 -0.034 0.000 0.991 443 Q CA 2.158 58.030 55.803 0.114 0.000 0.867 443 Q CB -0.115 28.700 28.738 0.129 0.000 0.911 443 Q HN 0.415 nan 8.270 nan 0.000 0.417 444 M N -0.407 119.143 119.600 -0.082 0.000 2.492 444 M HA -0.043 4.437 4.480 -0.000 0.000 0.262 444 M C 1.918 178.188 176.300 -0.050 0.000 1.090 444 M CA 1.494 56.725 55.300 -0.115 0.000 1.110 444 M CB -0.494 31.979 32.600 -0.212 0.000 1.407 444 M HN 0.341 nan 8.290 nan 0.000 0.470 445 T N -3.949 110.636 114.554 0.051 0.000 3.023 445 T HA 0.069 4.419 4.350 -0.000 0.000 0.253 445 T C 0.478 175.315 174.700 0.228 0.000 1.038 445 T CA -0.350 61.858 62.100 0.180 0.000 0.962 445 T CB -0.138 68.902 68.868 0.288 0.000 1.018 445 T HN 0.119 nan 8.240 nan 0.000 0.521 446 Y N 1.453 121.653 120.300 -0.167 0.000 2.282 446 Y HA 0.567 5.116 4.550 -0.001 0.000 0.335 446 Y C 0.023 175.745 175.900 -0.296 0.000 1.335 446 Y CA -2.190 55.656 58.100 -0.423 0.000 1.529 446 Y CB 0.423 38.489 38.460 -0.656 0.000 1.429 446 Y HN 0.113 nan 8.280 nan 0.000 0.563 447 L N 2.931 123.490 121.223 -1.106 0.000 2.315 447 L HA 0.521 4.861 4.340 -0.000 0.000 0.283 447 L C 0.185 176.749 176.870 -0.510 0.000 1.089 447 L CA 1.277 55.671 54.840 -0.744 0.000 0.833 447 L CB -0.188 41.330 42.059 -0.903 0.000 1.170 447 L HN 0.880 nan 8.230 nan 0.000 0.442 448 G N 2.917 111.535 108.800 -0.304 0.000 2.250 448 G HA2 -0.030 3.929 3.960 -0.000 0.000 0.252 448 G HA3 -0.030 3.929 3.960 -0.000 0.000 0.252 448 G C -0.836 173.967 174.900 -0.162 0.000 1.325 448 G CA -0.379 44.591 45.100 -0.216 0.000 1.091 448 G HN 0.544 nan 8.290 nan 0.000 0.476 449 T N 3.137 117.623 114.554 -0.114 0.000 2.791 449 T HA 0.624 4.973 4.350 -0.000 0.000 0.288 449 T C -2.734 171.868 174.700 -0.163 0.000 0.999 449 T CA -0.690 61.365 62.100 -0.075 0.000 0.952 449 T CB 2.013 70.935 68.868 0.089 0.000 0.938 449 T HN 0.354 nan 8.240 nan 0.000 0.444 450 P HA 0.114 nan 4.420 nan 0.000 0.262 450 P C -0.915 176.276 177.300 -0.182 0.000 1.199 450 P CA -0.404 62.606 63.100 -0.150 0.000 0.763 450 P CB 0.290 31.932 31.700 -0.097 0.000 0.790 451 L N 6.505 127.606 121.223 -0.203 0.000 2.295 451 L HA 0.423 4.762 4.340 -0.000 0.000 0.281 451 L C -0.722 176.078 176.870 -0.117 0.000 1.018 451 L CA -0.373 54.319 54.840 -0.247 0.000 0.841 451 L CB 0.256 42.099 42.059 -0.361 0.000 1.218 451 L HN 0.232 nan 8.230 nan 0.000 0.424 452 I N 4.812 125.326 120.570 -0.094 0.000 2.472 452 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 452 I C -0.480 175.540 176.117 -0.162 0.000 1.016 452 I CA -0.517 60.751 61.300 -0.053 0.000 1.348 452 I CB 0.960 38.943 38.000 -0.028 0.000 1.417 452 I HN 0.527 nan 8.210 nan 0.000 0.521 453 Y N 6.854 127.010 120.300 -0.239 0.000 2.392 453 Y HA 0.260 4.810 4.550 -0.000 0.000 0.323 453 Y C -0.260 175.391 175.900 -0.415 0.000 1.291 453 Y CA -1.648 56.289 58.100 -0.272 0.000 1.345 453 Y CB 0.673 39.025 38.460 -0.181 0.000 1.320 453 Y HN 0.432 nan 8.280 nan 0.000 0.518 454 Y N 1.664 121.492 120.300 -0.786 0.000 2.569 454 Y HA 0.433 4.983 4.550 -0.000 0.000 0.332 454 Y C 0.810 176.529 175.900 -0.303 0.000 1.120 454 Y CA -0.195 57.623 58.100 -0.469 0.000 1.416 454 Y CB 0.137 38.516 38.460 -0.135 0.000 1.210 454 Y HN 0.833 nan 8.280 nan 0.000 0.528 455 G N 3.141 111.953 108.800 0.020 0.000 2.339 455 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.209 455 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.209 455 G C 0.699 175.598 174.900 -0.001 0.000 1.015 455 G CA 0.207 45.295 45.100 -0.020 0.000 0.635 455 G HN 0.557 nan 8.290 nan 0.000 0.499 456 D N 1.459 121.876 120.400 0.030 0.000 2.224 456 D HA 0.102 4.741 4.640 -0.000 0.000 0.205 456 D C 2.141 178.506 176.300 0.108 0.000 0.965 456 D CA 1.412 55.521 54.000 0.182 0.000 0.852 456 D CB -0.260 40.830 40.800 0.482 0.000 0.947 456 D HN 0.646 nan 8.370 nan 0.000 0.494 457 E N 0.516 120.631 120.200 -0.142 0.000 2.331 457 E HA -0.151 4.199 4.350 -0.000 0.000 0.199 457 E C 1.588 178.260 176.600 0.119 0.000 1.008 457 E CA 0.734 56.918 56.400 -0.360 0.000 0.843 457 E CB -0.392 29.164 29.700 -0.239 0.000 0.761 457 E HN 0.497 nan 8.360 nan 0.000 0.507 458 I N -5.220 115.426 120.570 0.126 0.000 4.154 458 I HA 0.558 4.728 4.170 -0.000 0.000 0.334 458 I C 1.254 177.370 176.117 -0.001 0.000 1.371 458 I CA 0.128 61.489 61.300 0.103 0.000 1.110 458 I CB 0.932 38.982 38.000 0.083 0.000 1.085 458 I HN 0.015 nan 8.210 nan 0.000 0.398 459 G N 0.889 109.651 108.800 -0.063 0.000 2.155 459 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.130 459 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.130 459 G C 0.005 174.817 174.900 -0.147 0.000 1.027 459 G CA -0.344 44.657 45.100 -0.165 0.000 0.705 459 G HN 0.210 nan 8.290 nan 0.000 0.496 460 M N 1.536 121.078 119.600 -0.096 0.000 2.184 460 M HA 0.532 5.012 4.480 -0.000 0.000 0.351 460 M C 0.845 177.113 176.300 -0.054 0.000 1.395 460 M CA 0.350 55.602 55.300 -0.080 0.000 1.117 460 M CB 1.132 33.681 32.600 -0.086 0.000 1.708 460 M HN 0.424 nan 8.290 nan 0.000 0.468 461 A N 3.041 125.828 122.820 -0.054 0.000 2.252 461 A HA 0.969 5.289 4.320 -0.000 0.000 0.305 461 A C 0.219 177.794 177.584 -0.016 0.000 1.097 461 A CA -0.167 51.854 52.037 -0.027 0.000 0.849 461 A CB 0.976 19.950 19.000 -0.044 0.000 1.142 461 A HN 0.906 nan 8.150 nan 0.000 0.499 462 G N -2.108 106.689 108.800 -0.005 0.000 2.387 462 G HA2 0.670 4.630 3.960 -0.000 0.000 0.294 462 G HA3 0.670 4.630 3.960 -0.000 0.000 0.294 462 G C -0.563 174.332 174.900 -0.008 0.000 1.509 462 G CA 0.083 45.178 45.100 -0.009 0.000 0.806 462 G HN 1.575 nan 8.290 nan 0.000 0.546 463 A N -0.114 122.698 122.820 -0.014 0.000 2.240 463 A HA 0.870 5.190 4.320 -0.000 0.000 0.292 463 A C 1.082 178.656 177.584 -0.017 0.000 1.121 463 A CA 0.292 52.319 52.037 -0.017 0.000 0.851 463 A CB 0.035 19.023 19.000 -0.019 0.000 1.167 463 A HN 1.166 nan 8.150 nan 0.000 0.503 464 T N 0.707 115.246 114.554 -0.024 0.000 2.649 464 T HA 0.060 4.410 4.350 -0.000 0.000 0.337 464 T C 0.338 175.043 174.700 0.008 0.000 1.070 464 T CA 0.528 62.610 62.100 -0.029 0.000 1.052 464 T CB -0.060 68.786 68.868 -0.038 0.000 0.994 464 T HN 0.729 nan 8.240 nan 0.000 0.544 465 D N 2.057 122.473 120.400 0.027 0.000 2.923 465 D HA -0.081 4.558 4.640 -0.000 0.000 0.220 465 D C -1.273 175.147 176.300 0.200 0.000 1.099 465 D CA -0.976 53.095 54.000 0.117 0.000 0.807 465 D CB 0.696 41.556 40.800 0.099 0.000 1.155 465 D HN 0.206 nan 8.370 nan 0.000 0.524 466 P HA 0.101 nan 4.420 nan 0.000 0.275 466 P C 0.534 177.861 177.300 0.045 0.000 1.310 466 P CA -0.058 63.120 63.100 0.129 0.000 0.904 466 P CB 0.539 32.304 31.700 0.108 0.000 1.381 467 D N 0.267 120.674 120.400 0.011 0.000 2.309 467 D HA -0.126 4.514 4.640 -0.000 0.000 0.212 467 D C 1.689 177.990 176.300 0.001 0.000 0.968 467 D CA 0.988 54.986 54.000 -0.004 0.000 0.882 467 D CB -0.343 40.448 40.800 -0.016 0.000 0.918 467 D HN 0.214 nan 8.370 nan 0.000 0.503 468 C N -0.432 118.877 119.300 0.015 0.000 2.432 468 C HA 0.096 4.555 4.460 -0.000 0.000 0.280 468 C C 1.651 176.677 174.990 0.059 0.000 1.353 468 C CA -0.295 58.748 59.018 0.042 0.000 1.766 468 C CB -1.166 26.611 27.740 0.061 0.000 1.924 468 C HN 0.119 nan 8.230 nan 0.000 0.509 469 R N 1.379 121.911 120.500 0.053 0.000 3.732 469 R HA 0.239 4.578 4.340 -0.000 0.000 0.258 469 R C 0.127 176.421 176.300 -0.008 0.000 1.661 469 R CA -0.016 56.148 56.100 0.106 0.000 1.424 469 R CB -0.255 30.077 30.300 0.055 0.000 1.308 469 R HN 0.628 nan 8.270 nan 0.000 0.634 470 R N 1.912 122.382 120.500 -0.049 0.000 2.531 470 R HA 0.190 4.530 4.340 -0.000 0.000 0.273 470 R C -2.030 174.083 176.300 -0.311 0.000 1.070 470 R CA -1.795 54.174 56.100 -0.219 0.000 1.112 470 R CB 0.289 30.515 30.300 -0.124 0.000 1.049 470 R HN 0.039 nan 8.270 nan 0.000 0.508 471 P HA -0.145 nan 4.420 nan 0.000 0.267 471 P C -0.407 176.603 177.300 -0.484 0.000 1.201 471 P CA 0.385 62.907 63.100 -0.962 0.000 0.775 471 P CB 0.604 31.444 31.700 -1.435 0.000 0.854 472 M N 3.098 122.502 119.600 -0.327 0.000 2.235 472 M HA 0.224 4.704 4.480 -0.000 0.000 0.351 472 M C 0.480 176.525 176.300 -0.425 0.000 1.178 472 M CA -0.680 54.441 55.300 -0.299 0.000 1.143 472 M CB 0.228 32.557 32.600 -0.453 0.000 1.530 472 M HN 0.305 nan 8.290 nan 0.000 0.461 473 I N 0.742 121.090 120.570 -0.370 0.000 2.325 473 I HA 0.201 4.370 4.170 -0.000 0.000 0.291 473 I C -0.593 175.355 176.117 -0.282 0.000 1.019 473 I CA -0.213 60.962 61.300 -0.208 0.000 1.302 473 I CB 0.599 38.538 38.000 -0.102 0.000 1.401 473 I HN 0.854 nan 8.210 nan 0.000 0.485 474 W N 3.370 124.679 121.300 0.014 0.000 2.871 474 W HA 0.241 4.901 4.660 -0.000 0.000 0.340 474 W C 0.263 176.739 176.519 -0.073 0.000 1.058 474 W CA -0.367 56.929 57.345 -0.082 0.000 1.633 474 W CB 0.722 30.112 29.460 -0.118 0.000 1.067 474 W HN 0.475 nan 8.180 nan 0.000 0.554 475 E N 1.519 121.816 120.200 0.163 0.000 2.299 475 E HA -0.045 4.305 4.350 -0.000 0.000 0.272 475 E C 1.200 177.830 176.600 0.050 0.000 1.043 475 E CA 0.100 56.554 56.400 0.090 0.000 0.895 475 E CB 0.627 30.366 29.700 0.066 0.000 1.011 475 E HN -0.010 nan 8.360 nan 0.000 0.432 476 E N 2.660 122.881 120.200 0.035 0.000 2.333 476 E HA -0.238 4.112 4.350 -0.000 0.000 0.200 476 E C 0.595 177.197 176.600 0.004 0.000 1.010 476 E CA 1.046 57.451 56.400 0.009 0.000 0.841 476 E CB 0.290 29.993 29.700 0.006 0.000 0.757 476 E HN 0.226 nan 8.360 nan 0.000 0.508 477 K N 0.075 120.481 120.400 0.011 0.000 2.361 477 K HA 0.033 4.353 4.320 -0.000 0.000 0.196 477 K C 1.327 177.929 176.600 0.003 0.000 1.039 477 K CA 0.407 56.698 56.287 0.007 0.000 1.001 477 K CB 0.409 32.914 32.500 0.009 0.000 0.795 477 K HN 0.062 nan 8.250 nan 0.000 0.495 478 E N 0.293 120.495 120.200 0.005 0.000 2.474 478 E HA 0.047 4.397 4.350 -0.000 0.000 0.195 478 E C -0.283 176.308 176.600 -0.016 0.000 1.039 478 E CA 0.159 56.557 56.400 -0.003 0.000 0.881 478 E CB 0.521 30.225 29.700 0.006 0.000 0.970 478 E HN 0.324 nan 8.360 nan 0.000 0.486 479 Q N 1.020 120.811 119.800 -0.015 0.000 2.309 479 Q HA 0.227 4.567 4.340 -0.000 0.000 0.264 479 Q C -0.305 175.690 176.000 -0.008 0.000 1.008 479 Q CA -0.666 55.124 55.803 -0.021 0.000 0.853 479 Q CB 1.369 30.087 28.738 -0.034 0.000 1.314 479 Q HN -0.132 nan 8.270 nan 0.000 0.448 480 N N 1.968 120.670 118.700 0.003 0.000 2.819 480 N HA -0.023 4.717 4.740 -0.000 0.000 0.284 480 N C 0.706 176.262 175.510 0.077 0.000 1.196 480 N CA 0.177 53.240 53.050 0.022 0.000 1.114 480 N CB 0.241 38.728 38.487 0.000 0.000 1.437 480 N HN 0.456 nan 8.380 nan 0.000 0.518 481 R N 2.115 122.650 120.500 0.058 0.000 2.226 481 R HA -0.075 4.264 4.340 -0.000 0.000 0.246 481 R C 1.810 178.202 176.300 0.154 0.000 1.161 481 R CA 1.714 57.873 56.100 0.097 0.000 0.997 481 R CB -0.814 29.516 30.300 0.049 0.000 0.870 481 R HN 0.599 nan 8.270 nan 0.000 0.465 482 G N 0.158 109.020 108.800 0.104 0.000 2.459 482 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 482 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 482 G C 1.458 176.452 174.900 0.156 0.000 1.183 482 G CA 0.874 46.029 45.100 0.092 0.000 0.776 482 G HN 0.361 nan 8.290 nan 0.000 0.552 483 L N -1.019 120.313 121.223 0.182 0.000 1.994 483 L HA 0.016 4.355 4.340 -0.000 0.000 0.208 483 L C 2.596 179.745 176.870 0.465 0.000 1.071 483 L CA 1.222 56.253 54.840 0.317 0.000 0.745 483 L CB -0.352 41.879 42.059 0.287 0.000 0.892 483 L HN 0.264 nan 8.230 nan 0.000 0.431 484 F N 0.613 120.676 119.950 0.188 0.000 2.063 484 F HA -0.337 4.190 4.527 -0.000 0.000 0.298 484 F C 2.599 178.505 175.800 0.177 0.000 1.109 484 F CA 1.766 59.842 58.000 0.126 0.000 1.212 484 F CB -0.000 39.035 39.000 0.059 0.000 0.973 484 F HN 0.107 nan 8.300 nan 0.000 0.480 485 E N -0.480 119.929 120.200 0.349 0.000 2.268 485 E HA -0.216 4.133 4.350 -0.000 0.000 0.195 485 E C 1.947 178.698 176.600 0.251 0.000 0.995 485 E CA 0.886 57.429 56.400 0.237 0.000 0.836 485 E CB -0.674 29.148 29.700 0.204 0.000 0.763 485 E HN 0.567 nan 8.360 nan 0.000 0.491 486 F N -0.415 119.613 119.950 0.130 0.000 2.118 486 F HA -0.208 4.319 4.527 -0.000 0.000 0.293 486 F C 2.025 177.885 175.800 0.101 0.000 1.102 486 F CA 0.856 58.918 58.000 0.102 0.000 1.247 486 F CB -0.101 38.977 39.000 0.130 0.000 1.017 486 F HN -0.072 nan 8.300 nan 0.000 0.475 487 Y N 1.248 121.574 120.300 0.043 0.000 2.181 487 Y HA -0.230 4.320 4.550 -0.000 0.000 0.288 487 Y C 2.376 178.133 175.900 -0.239 0.000 1.146 487 Y CA 1.962 59.963 58.100 -0.166 0.000 1.164 487 Y CB -0.510 37.865 38.460 -0.141 0.000 0.982 487 Y HN -0.026 nan 8.280 nan 0.000 0.515 488 K N -0.314 120.032 120.400 -0.090 0.000 2.097 488 K HA -0.250 4.070 4.320 -0.000 0.000 0.206 488 K C 2.008 178.558 176.600 -0.083 0.000 1.049 488 K CA 1.639 57.844 56.287 -0.137 0.000 0.933 488 K CB -0.158 32.255 32.500 -0.145 0.000 0.717 488 K HN 0.213 nan 8.250 nan 0.000 0.442 489 E N 1.579 121.756 120.200 -0.038 0.000 2.023 489 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 489 E C 1.813 178.334 176.600 -0.133 0.000 1.003 489 E CA 1.422 57.794 56.400 -0.048 0.000 0.809 489 E CB -0.337 29.378 29.700 0.026 0.000 0.755 489 E HN 0.189 nan 8.360 nan 0.000 0.449 490 L N 0.147 121.228 121.223 -0.236 0.000 1.976 490 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 490 L C 2.748 179.465 176.870 -0.255 0.000 1.071 490 L CA 1.512 56.174 54.840 -0.296 0.000 0.746 490 L CB -0.616 41.154 42.059 -0.482 0.000 0.890 490 L HN 0.241 nan 8.230 nan 0.000 0.432 491 I N -0.336 120.083 120.570 -0.252 0.000 2.113 491 I HA -0.405 3.764 4.170 -0.000 0.000 0.242 491 I C 2.843 178.716 176.117 -0.406 0.000 1.057 491 I CA 1.563 62.668 61.300 -0.325 0.000 1.314 491 I CB -0.436 37.430 38.000 -0.223 0.000 1.022 491 I HN 0.235 nan 8.210 nan 0.000 0.408 492 R N 0.086 120.454 120.500 -0.220 0.000 2.115 492 R HA -0.240 4.100 4.340 -0.000 0.000 0.239 492 R C 2.277 178.485 176.300 -0.154 0.000 1.133 492 R CA 1.637 57.656 56.100 -0.135 0.000 0.935 492 R CB -0.684 29.570 30.300 -0.077 0.000 0.853 492 R HN 0.204 nan 8.270 nan 0.000 0.433 493 L N 0.731 121.858 121.223 -0.161 0.000 2.042 493 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 493 L C 2.558 179.335 176.870 -0.156 0.000 1.076 493 L CA 1.731 56.481 54.840 -0.150 0.000 0.749 493 L CB -0.604 41.375 42.059 -0.132 0.000 0.893 493 L HN 0.143 nan 8.230 nan 0.000 0.432 494 R N -1.587 118.792 120.500 -0.201 0.000 2.105 494 R HA -0.208 4.132 4.340 -0.000 0.000 0.239 494 R C 2.106 178.357 176.300 -0.082 0.000 1.135 494 R CA 1.542 57.535 56.100 -0.177 0.000 0.967 494 R CB -0.220 29.922 30.300 -0.264 0.000 0.861 494 R HN 0.438 nan 8.270 nan 0.000 0.442 495 H N -0.020 119.005 119.070 -0.074 0.000 2.512 495 H HA 0.026 4.582 4.556 -0.001 0.000 0.279 495 H C 1.717 176.997 175.328 -0.081 0.000 0.999 495 H CA 1.423 57.433 56.048 -0.064 0.000 1.283 495 H CB 0.155 29.888 29.762 -0.049 0.000 1.421 495 H HN 0.462 nan 8.280 nan 0.000 0.554 496 R N 0.034 120.527 120.500 -0.011 0.000 2.237 496 R HA 0.176 4.516 4.340 -0.000 0.000 0.195 496 R C 0.338 176.562 176.300 -0.127 0.000 0.956 496 R CA 0.102 56.158 56.100 -0.073 0.000 1.029 496 R CB 0.158 30.388 30.300 -0.117 0.000 0.972 496 R HN 0.033 nan 8.270 nan 0.000 0.493 497 L N 2.540 123.673 121.223 -0.150 0.000 2.328 497 L HA 0.333 4.673 4.340 -0.000 0.000 0.280 497 L C 1.223 178.032 176.870 -0.102 0.000 1.111 497 L CA -0.544 54.180 54.840 -0.194 0.000 0.909 497 L CB 1.349 43.269 42.059 -0.232 0.000 1.277 497 L HN 0.256 nan 8.230 nan 0.000 0.433 498 A N 1.905 124.680 122.820 -0.075 0.000 2.009 498 A HA -0.273 4.047 4.320 -0.000 0.000 0.222 498 A C 2.398 179.955 177.584 -0.044 0.000 1.175 498 A CA 2.412 54.421 52.037 -0.047 0.000 0.651 498 A CB -0.396 18.581 19.000 -0.038 0.000 0.815 498 A HN 0.783 nan 8.150 nan 0.000 0.459 499 S N -0.187 115.485 115.700 -0.045 0.000 2.402 499 S HA -0.069 4.401 4.470 -0.000 0.000 0.229 499 S C 1.829 176.412 174.600 -0.029 0.000 1.021 499 S CA 1.329 59.508 58.200 -0.035 0.000 0.974 499 S CB -0.717 62.470 63.200 -0.021 0.000 0.800 499 S HN 0.489 nan 8.310 nan 0.000 0.484 500 L N 1.819 123.026 121.223 -0.027 0.000 2.131 500 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 500 L C 3.149 179.992 176.870 -0.044 0.000 1.092 500 L CA 1.698 56.529 54.840 -0.015 0.000 0.759 500 L CB -1.119 40.929 42.059 -0.018 0.000 0.903 500 L HN 0.670 nan 8.230 nan 0.000 0.435 501 T N -3.533 110.995 114.554 -0.043 0.000 2.953 501 T HA -0.055 4.294 4.350 -0.000 0.000 0.247 501 T C 1.866 176.520 174.700 -0.077 0.000 1.029 501 T CA 0.159 62.228 62.100 -0.051 0.000 1.144 501 T CB -0.072 68.788 68.868 -0.014 0.000 0.870 501 T HN 0.177 nan 8.240 nan 0.000 0.446 502 R N 1.136 121.596 120.500 -0.067 0.000 2.393 502 R HA 0.415 4.755 4.340 -0.000 0.000 0.244 502 R C 0.900 177.153 176.300 -0.077 0.000 0.920 502 R CA -0.191 55.864 56.100 -0.076 0.000 1.076 502 R CB 0.666 30.929 30.300 -0.061 0.000 1.119 502 R HN 0.493 nan 8.270 nan 0.000 0.524 503 G N 0.551 109.306 108.800 -0.075 0.000 2.434 503 G HA2 0.168 4.128 3.960 -0.000 0.000 0.330 503 G HA3 0.168 4.128 3.960 -0.000 0.000 0.330 503 G C -0.645 174.205 174.900 -0.082 0.000 1.155 503 G CA -0.707 44.355 45.100 -0.062 0.000 0.917 503 G HN 0.269 nan 8.290 nan 0.000 0.493 504 N N -1.561 117.103 118.700 -0.061 0.000 2.445 504 N HA 0.381 5.121 4.740 -0.000 0.000 0.264 504 N C -0.642 174.829 175.510 -0.066 0.000 1.227 504 N CA -0.641 52.366 53.050 -0.072 0.000 0.963 504 N CB 1.947 40.412 38.487 -0.037 0.000 1.188 504 N HN 0.423 nan 8.380 nan 0.000 0.491 505 V N 0.586 120.445 119.914 -0.093 0.000 2.555 505 V HA 0.602 4.721 4.120 -0.000 0.000 0.302 505 V C -1.058 175.044 176.094 0.014 0.000 1.038 505 V CA -0.681 61.575 62.300 -0.073 0.000 0.887 505 V CB 1.162 32.847 31.823 -0.229 0.000 0.991 505 V HN 0.750 nan 8.190 nan 0.000 0.434 506 R N 3.638 124.187 120.500 0.082 0.000 2.686 506 R HA 0.547 4.886 4.340 -0.000 0.000 0.283 506 R C -0.689 175.714 176.300 0.172 0.000 0.978 506 R CA -0.536 55.624 56.100 0.099 0.000 0.897 506 R CB 2.170 32.508 30.300 0.063 0.000 1.192 506 R HN 0.746 nan 8.270 nan 0.000 0.457 507 S N 1.582 117.409 115.700 0.210 0.000 2.523 507 S HA 0.136 4.606 4.470 -0.000 0.000 0.275 507 S C 0.200 174.979 174.600 0.298 0.000 1.281 507 S CA -0.486 57.895 58.200 0.302 0.000 1.050 507 S CB 0.857 64.285 63.200 0.380 0.000 0.937 507 S HN 0.634 nan 8.310 nan 0.000 0.492 508 W N 2.845 124.207 121.300 0.104 0.000 2.699 508 W HA 0.281 4.941 4.660 -0.001 0.000 0.265 508 W C 0.394 177.004 176.519 0.151 0.000 1.210 508 W CA 0.515 57.910 57.345 0.084 0.000 1.414 508 W CB -0.008 29.474 29.460 0.036 0.000 1.043 508 W HN 0.774 nan 8.180 nan 0.000 0.599 509 H N -0.584 118.610 119.070 0.207 0.000 3.137 509 H HA 0.517 5.073 4.556 -0.001 0.000 0.336 509 H C -1.425 174.017 175.328 0.191 0.000 1.055 509 H CA -0.141 55.959 56.048 0.087 0.000 1.349 509 H CB 1.226 30.940 29.762 -0.080 0.000 1.939 509 H HN -0.076 nan 8.280 nan 0.000 0.487 510 A N 4.487 127.240 122.820 -0.111 0.000 2.522 510 A HA 0.398 4.717 4.320 -0.000 0.000 0.285 510 A C -1.400 176.096 177.584 -0.147 0.000 1.198 510 A CA -0.620 51.451 52.037 0.056 0.000 0.742 510 A CB 0.716 19.795 19.000 0.132 0.000 1.176 510 A HN 0.607 nan 8.150 nan 0.000 0.444 511 D N 3.048 123.379 120.400 -0.115 0.000 2.454 511 D HA 0.183 4.823 4.640 -0.000 0.000 0.247 511 D C 1.043 177.324 176.300 -0.032 0.000 1.129 511 D CA -0.403 53.518 54.000 -0.132 0.000 0.877 511 D CB 1.268 42.000 40.800 -0.114 0.000 1.082 511 D HN 0.607 nan 8.370 nan 0.000 0.537 512 K N 2.512 122.863 120.400 -0.082 0.000 2.147 512 K HA -0.156 4.163 4.320 -0.000 0.000 0.205 512 K C 1.220 177.732 176.600 -0.148 0.000 1.049 512 K CA 0.841 57.024 56.287 -0.173 0.000 0.936 512 K CB 0.199 32.364 32.500 -0.557 0.000 0.722 512 K HN 0.223 nan 8.250 nan 0.000 0.446 513 Q N 1.131 120.865 119.800 -0.109 0.000 1.941 513 Q HA -0.022 4.318 4.340 -0.000 0.000 0.201 513 Q C 2.395 178.375 176.000 -0.034 0.000 0.982 513 Q CA 1.962 57.719 55.803 -0.076 0.000 0.839 513 Q CB -0.602 28.099 28.738 -0.063 0.000 0.904 513 Q HN 0.511 nan 8.270 nan 0.000 0.427 514 A N 1.015 123.829 122.820 -0.010 0.000 2.209 514 A HA -0.098 4.222 4.320 -0.000 0.000 0.212 514 A C 0.690 178.288 177.584 0.023 0.000 1.158 514 A CA 0.823 52.863 52.037 0.005 0.000 0.742 514 A CB -0.423 18.594 19.000 0.028 0.000 0.790 514 A HN 0.552 nan 8.150 nan 0.000 0.472 515 N N -2.345 116.389 118.700 0.058 0.000 2.725 515 N HA -0.145 4.595 4.740 -0.000 0.000 0.249 515 N C -0.754 174.888 175.510 0.220 0.000 1.103 515 N CA 0.672 53.808 53.050 0.143 0.000 0.707 515 N CB -1.750 36.787 38.487 0.082 0.000 1.043 515 N HN 0.347 nan 8.380 nan 0.000 0.553 516 L N 0.140 121.487 121.223 0.205 0.000 2.379 516 L HA 0.560 4.900 4.340 -0.000 0.000 0.269 516 L C 0.077 177.172 176.870 0.375 0.000 1.084 516 L CA -0.321 54.682 54.840 0.271 0.000 0.802 516 L CB 1.026 43.233 42.059 0.248 0.000 1.175 516 L HN 0.223 nan 8.230 nan 0.000 0.448 517 Y N 1.335 121.801 120.300 0.277 0.000 2.513 517 Y HA 0.750 5.299 4.550 -0.001 0.000 0.340 517 Y C -1.219 174.875 175.900 0.324 0.000 1.055 517 Y CA -0.882 57.386 58.100 0.279 0.000 1.020 517 Y CB 1.774 40.396 38.460 0.271 0.000 1.301 517 Y HN 0.656 nan 8.280 nan 0.000 0.453 518 A N 5.878 128.486 122.820 -0.353 0.000 2.459 518 A HA 0.728 5.048 4.320 -0.000 0.000 0.296 518 A C -1.903 175.615 177.584 -0.110 0.000 1.039 518 A CA -0.562 51.395 52.037 -0.134 0.000 0.698 518 A CB 0.556 19.662 19.000 0.175 0.000 1.261 518 A HN 0.838 nan 8.150 nan 0.000 0.405 519 F N 0.524 120.489 119.950 0.024 0.000 2.631 519 F HA 0.919 5.446 4.527 -0.001 0.000 0.328 519 F C -0.709 175.119 175.800 0.045 0.000 1.067 519 F CA -1.350 56.680 58.000 0.050 0.000 0.969 519 F CB 1.391 40.468 39.000 0.128 0.000 1.332 519 F HN 0.340 nan 8.300 nan 0.000 0.490 520 V N 1.537 121.625 119.914 0.290 0.000 2.864 520 V HA 0.658 4.777 4.120 -0.000 0.000 0.314 520 V C -0.575 175.685 176.094 0.275 0.000 1.073 520 V CA -0.890 61.495 62.300 0.141 0.000 0.956 520 V CB 1.980 33.705 31.823 -0.162 0.000 1.023 520 V HN 0.703 nan 8.190 nan 0.000 0.435 521 R N 1.497 122.143 120.500 0.243 0.000 2.621 521 R HA 0.770 5.110 4.340 -0.000 0.000 0.292 521 R C -1.096 175.267 176.300 0.105 0.000 0.969 521 R CA -0.509 55.681 56.100 0.151 0.000 0.887 521 R CB 2.116 32.513 30.300 0.161 0.000 1.180 521 R HN 0.794 nan 8.270 nan 0.000 0.450 522 T N 1.535 116.116 114.554 0.046 0.000 2.991 522 T HA 0.383 4.733 4.350 -0.000 0.000 0.303 522 T C -0.709 173.958 174.700 -0.055 0.000 1.015 522 T CA -0.686 61.404 62.100 -0.016 0.000 1.007 522 T CB 1.834 70.728 68.868 0.042 0.000 1.034 522 T HN 0.362 nan 8.240 nan 0.000 0.446 523 V N 1.529 121.391 119.914 -0.086 0.000 2.531 523 V HA 0.737 4.856 4.120 -0.000 0.000 0.301 523 V C 0.036 176.079 176.094 -0.085 0.000 1.034 523 V CA -0.797 61.462 62.300 -0.069 0.000 0.865 523 V CB 0.928 32.720 31.823 -0.051 0.000 0.995 523 V HN 1.019 nan 8.190 nan 0.000 0.424 524 Q N 1.801 121.561 119.800 -0.066 0.000 1.261 524 Q HA -0.312 4.028 4.340 -0.000 0.000 0.355 524 Q C 0.877 176.814 176.000 -0.106 0.000 0.992 524 Q CA 1.899 57.667 55.803 -0.058 0.000 0.652 524 Q CB -0.962 27.754 28.738 -0.036 0.000 4.564 524 Q HN 0.974 nan 8.270 nan 0.000 0.538 525 D N 0.544 120.898 120.400 -0.077 0.000 2.133 525 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 525 D C 0.827 176.986 176.300 -0.236 0.000 0.997 525 D CA 1.739 55.683 54.000 -0.093 0.000 0.840 525 D CB -0.090 40.697 40.800 -0.023 0.000 0.947 525 D HN 0.307 nan 8.370 nan 0.000 0.452 526 Q N 0.720 120.410 119.800 -0.184 0.000 2.361 526 Q HA 0.001 4.340 4.340 -0.000 0.000 0.276 526 Q C -0.821 174.971 176.000 -0.347 0.000 1.022 526 Q CA 0.309 56.024 55.803 -0.147 0.000 0.898 526 Q CB 0.432 29.161 28.738 -0.015 0.000 1.246 526 Q HN 0.256 nan 8.270 nan 0.000 0.410 527 H N 2.427 121.535 119.070 0.063 0.000 2.782 527 H HA 0.364 4.920 4.556 -0.001 0.000 0.347 527 H C -1.007 174.290 175.328 -0.052 0.000 1.038 527 H CA -0.523 55.579 56.048 0.091 0.000 1.255 527 H CB 1.661 31.608 29.762 0.309 0.000 1.623 527 H HN 0.592 nan 8.280 nan 0.000 0.525 528 V N 1.236 121.210 119.914 0.101 0.000 2.769 528 V HA 0.973 5.093 4.120 -0.000 0.000 0.312 528 V C 0.014 176.173 176.094 0.109 0.000 1.058 528 V CA -0.546 61.749 62.300 -0.008 0.000 0.952 528 V CB 1.846 33.686 31.823 0.027 0.000 1.019 528 V HN 0.790 nan 8.190 nan 0.000 0.445 529 G N 2.253 111.153 108.800 0.167 0.000 2.495 529 G HA2 0.626 4.586 3.960 -0.000 0.000 0.318 529 G HA3 0.626 4.586 3.960 -0.000 0.000 0.318 529 G C -1.424 173.547 174.900 0.119 0.000 1.257 529 G CA -0.729 44.519 45.100 0.246 0.000 0.962 529 G HN 1.063 nan 8.290 nan 0.000 0.483 530 V N 2.260 122.087 119.914 -0.145 0.000 2.350 530 V HA 0.285 4.405 4.120 -0.000 0.000 0.285 530 V C -0.128 175.895 176.094 -0.117 0.000 1.014 530 V CA -0.586 61.572 62.300 -0.237 0.000 0.831 530 V CB 1.420 32.882 31.823 -0.601 0.000 1.000 530 V HN 0.558 nan 8.190 nan 0.000 0.433 531 V N 7.153 127.096 119.914 0.047 0.000 2.385 531 V HA 0.431 4.551 4.120 -0.000 0.000 0.269 531 V C -0.039 176.109 176.094 0.090 0.000 1.043 531 V CA -0.333 62.003 62.300 0.059 0.000 0.906 531 V CB 1.102 32.946 31.823 0.036 0.000 0.995 531 V HN 0.584 nan 8.190 nan 0.000 0.467 532 L N 4.508 125.821 121.223 0.150 0.000 2.325 532 L HA 0.516 4.856 4.340 -0.000 0.000 0.281 532 L C -0.033 176.950 176.870 0.188 0.000 1.004 532 L CA -0.485 54.486 54.840 0.219 0.000 0.823 532 L CB 1.785 44.075 42.059 0.385 0.000 1.236 532 L HN 0.558 nan 8.230 nan 0.000 0.415 533 N N 2.609 121.372 118.700 0.104 0.000 2.469 533 N HA 0.027 4.767 4.740 -0.000 0.000 0.239 533 N C -0.158 175.304 175.510 -0.081 0.000 1.053 533 N CA -0.126 52.936 53.050 0.020 0.000 0.937 533 N CB 0.543 39.011 38.487 -0.033 0.000 1.163 533 N HN 0.443 nan 8.380 nan 0.000 0.509 534 N N 3.141 121.774 118.700 -0.111 0.000 3.091 534 N HA 0.120 4.860 4.740 -0.000 0.000 0.301 534 N C -1.001 174.219 175.510 -0.483 0.000 1.325 534 N CA -0.020 52.818 53.050 -0.353 0.000 1.143 534 N CB -0.116 37.921 38.487 -0.750 0.000 1.450 534 N HN 0.366 nan 8.380 nan 0.000 0.542 535 R N -0.730 119.418 120.500 -0.587 0.000 2.628 535 R HA 0.397 4.737 4.340 -0.000 0.000 0.288 535 R C 0.013 175.890 176.300 -0.705 0.000 0.980 535 R CA -0.746 55.037 56.100 -0.529 0.000 0.891 535 R CB 1.682 31.835 30.300 -0.244 0.000 1.188 535 R HN 0.239 nan 8.270 nan 0.000 0.450 536 G N 1.968 110.487 108.800 -0.467 0.000 3.455 536 G HA2 0.058 4.018 3.960 -0.000 0.000 0.250 536 G HA3 0.058 4.018 3.960 -0.000 0.000 0.250 536 G C 0.064 174.923 174.900 -0.070 0.000 1.071 536 G CA 0.340 45.362 45.100 -0.129 0.000 1.812 536 G HN 0.429 nan 8.290 nan 0.000 0.643 537 E N 0.361 120.499 120.200 -0.104 0.000 2.409 537 E HA 0.264 4.614 4.350 -0.000 0.000 0.280 537 E C -1.408 175.154 176.600 -0.064 0.000 1.079 537 E CA -0.746 55.621 56.400 -0.056 0.000 0.840 537 E CB 1.204 30.875 29.700 -0.048 0.000 1.309 537 E HN 0.204 nan 8.360 nan 0.000 0.447 538 K N 1.656 122.033 120.400 -0.038 0.000 2.182 538 K HA 0.542 4.862 4.320 -0.000 0.000 0.262 538 K C -0.778 175.805 176.600 -0.028 0.000 0.957 538 K CA -0.426 55.842 56.287 -0.032 0.000 0.842 538 K CB 1.576 34.068 32.500 -0.013 0.000 1.099 538 K HN 0.343 nan 8.250 nan 0.000 0.438 539 Q N 1.815 121.599 119.800 -0.028 0.000 2.337 539 Q HA 0.272 4.612 4.340 -0.000 0.000 0.270 539 Q C -0.934 175.054 176.000 -0.020 0.000 1.043 539 Q CA -1.011 54.778 55.803 -0.024 0.000 0.794 539 Q CB 2.506 31.228 28.738 -0.025 0.000 1.281 539 Q HN 0.707 nan 8.270 nan 0.000 0.446 540 T N 1.496 116.038 114.554 -0.020 0.000 2.899 540 T HA 0.456 4.806 4.350 -0.000 0.000 0.295 540 T C -0.189 174.487 174.700 -0.040 0.000 1.033 540 T CA -0.380 61.704 62.100 -0.027 0.000 1.084 540 T CB 0.633 69.487 68.868 -0.024 0.000 0.979 540 T HN 0.432 nan 8.240 nan 0.000 0.532 541 V N 1.087 120.960 119.914 -0.069 0.000 3.159 541 V HA 0.753 4.873 4.120 -0.000 0.000 0.308 541 V C -1.060 174.945 176.094 -0.149 0.000 1.190 541 V CA -1.180 61.055 62.300 -0.108 0.000 1.037 541 V CB 1.817 33.539 31.823 -0.168 0.000 1.060 541 V HN 0.719 nan 8.190 nan 0.000 0.437 542 L N 1.681 122.798 121.223 -0.176 0.000 2.342 542 L HA 0.838 5.177 4.340 -0.000 0.000 0.271 542 L C -1.294 175.393 176.870 -0.306 0.000 1.008 542 L CA -0.590 54.142 54.840 -0.180 0.000 0.818 542 L CB 1.971 43.969 42.059 -0.103 0.000 1.296 542 L HN 0.559 nan 8.230 nan 0.000 0.427 543 L N 1.471 122.495 121.223 -0.332 0.000 2.568 543 L HA 0.456 4.796 4.340 -0.000 0.000 0.257 543 L C -0.956 175.757 176.870 -0.263 0.000 1.024 543 L CA -0.734 53.829 54.840 -0.463 0.000 0.854 543 L CB 1.874 43.385 42.059 -0.913 0.000 1.460 543 L HN 0.421 nan 8.230 nan 0.000 0.409 544 Q N 0.852 120.556 119.800 -0.160 0.000 2.214 544 Q HA 0.637 4.977 4.340 -0.000 0.000 0.251 544 Q C 0.186 176.286 176.000 0.167 0.000 0.936 544 Q CA -0.929 54.876 55.803 0.004 0.000 0.894 544 Q CB 1.456 30.217 28.738 0.038 0.000 1.252 544 Q HN 0.509 nan 8.270 nan 0.000 0.448 545 V N -1.567 118.388 119.914 0.068 0.000 3.388 545 V HA 0.163 4.283 4.120 -0.000 0.000 0.301 545 V C -2.198 173.876 176.094 -0.034 0.000 1.160 545 V CA -0.954 61.343 62.300 -0.005 0.000 1.277 545 V CB -1.044 30.728 31.823 -0.085 0.000 1.018 545 V HN 0.693 nan 8.190 nan 0.000 0.504 546 P HA 0.372 nan 4.420 nan 0.000 0.282 546 P C 0.587 177.698 177.300 -0.315 0.000 1.259 546 P CA -0.539 62.272 63.100 -0.482 0.000 0.826 546 P CB 0.865 32.069 31.700 -0.827 0.000 1.064 547 E N 0.230 120.287 120.200 -0.239 0.000 2.048 547 E HA -0.206 4.144 4.350 -0.000 0.000 0.202 547 E C 1.800 178.370 176.600 -0.051 0.000 1.021 547 E CA 2.003 58.347 56.400 -0.093 0.000 0.825 547 E CB -0.428 29.254 29.700 -0.030 0.000 0.756 547 E HN 0.381 nan 8.360 nan 0.000 0.454 548 S N -0.681 115.008 115.700 -0.019 0.000 2.354 548 S HA -0.031 4.439 4.470 -0.000 0.000 0.219 548 S C 0.871 175.496 174.600 0.041 0.000 1.035 548 S CA 1.079 59.326 58.200 0.079 0.000 1.037 548 S CB -0.104 63.246 63.200 0.250 0.000 0.956 548 S HN 0.476 nan 8.310 nan 0.000 0.428 549 G N -1.261 107.557 108.800 0.030 0.000 2.169 549 G HA2 0.468 4.427 3.960 -0.000 0.000 0.286 549 G HA3 0.468 4.427 3.960 -0.000 0.000 0.286 549 G C -0.784 174.191 174.900 0.125 0.000 1.742 549 G CA -0.258 44.876 45.100 0.057 0.000 0.904 549 G HN 0.678 nan 8.290 nan 0.000 0.735 550 G N 0.756 109.566 108.800 0.016 0.000 2.378 550 G HA2 0.493 4.452 3.960 -0.000 0.000 0.306 550 G HA3 0.493 4.452 3.960 -0.000 0.000 0.306 550 G C 0.021 174.865 174.900 -0.094 0.000 1.413 550 G CA -0.313 44.807 45.100 0.034 0.000 1.123 550 G HN 0.661 nan 8.290 nan 0.000 0.587 551 K N 0.148 120.541 120.400 -0.012 0.000 2.128 551 K HA 0.150 4.470 4.320 -0.000 0.000 0.202 551 K C 1.558 178.159 176.600 0.001 0.000 1.050 551 K CA 1.331 57.606 56.287 -0.020 0.000 0.966 551 K CB 0.258 32.760 32.500 0.003 0.000 0.759 551 K HN 0.636 nan 8.250 nan 0.000 0.454 552 T N -2.009 112.580 114.554 0.058 0.000 2.895 552 T HA 0.418 4.768 4.350 -0.000 0.000 0.283 552 T C -1.204 173.662 174.700 0.276 0.000 1.014 552 T CA -0.766 61.394 62.100 0.099 0.000 1.037 552 T CB 1.135 70.032 68.868 0.049 0.000 1.006 552 T HN 0.045 nan 8.240 nan 0.000 0.468 553 W N 2.863 124.116 121.300 -0.078 0.000 2.802 553 W HA 0.501 5.161 4.660 -0.000 0.000 0.331 553 W C -0.692 175.779 176.519 -0.080 0.000 1.021 553 W CA -1.736 55.554 57.345 -0.091 0.000 1.259 553 W CB 1.299 30.753 29.460 -0.011 0.000 1.323 553 W HN 0.829 nan 8.180 nan 0.000 0.432 554 L N 3.595 124.718 121.223 -0.167 0.000 2.473 554 L HA 0.142 4.482 4.340 -0.000 0.000 0.268 554 L C 0.425 177.302 176.870 0.012 0.000 1.215 554 L CA 0.480 55.291 54.840 -0.048 0.000 0.823 554 L CB 0.591 42.659 42.059 0.014 0.000 1.099 554 L HN 0.230 nan 8.230 nan 0.000 0.483 555 D N 0.852 121.284 120.400 0.053 0.000 2.217 555 D HA 0.192 4.831 4.640 -0.000 0.000 0.243 555 D C 0.279 176.634 176.300 0.092 0.000 1.054 555 D CA -0.521 53.520 54.000 0.068 0.000 0.838 555 D CB 1.745 42.579 40.800 0.056 0.000 1.162 555 D HN 0.558 nan 8.370 nan 0.000 0.472 556 C N 2.947 122.305 119.300 0.097 0.000 2.504 556 C HA 0.077 4.536 4.460 -0.000 0.000 0.279 556 C C 2.676 177.697 174.990 0.051 0.000 1.358 556 C CA -0.180 58.887 59.018 0.082 0.000 1.747 556 C CB -0.924 26.846 27.740 0.050 0.000 2.037 556 C HN 0.649 nan 8.230 nan 0.000 0.503 557 L N 1.576 122.834 121.223 0.057 0.000 2.046 557 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 557 L C 2.718 179.628 176.870 0.067 0.000 1.077 557 L CA 2.273 57.154 54.840 0.067 0.000 0.747 557 L CB -0.647 41.468 42.059 0.093 0.000 0.896 557 L HN 0.591 nan 8.230 nan 0.000 0.432 558 T N -5.099 109.493 114.554 0.063 0.000 2.980 558 T HA 0.544 4.893 4.350 -0.000 0.000 0.252 558 T C 0.622 175.351 174.700 0.049 0.000 0.962 558 T CA 0.308 62.441 62.100 0.055 0.000 0.932 558 T CB 1.060 69.959 68.868 0.052 0.000 1.188 558 T HN 0.404 nan 8.240 nan 0.000 0.500 559 G N 0.393 109.222 108.800 0.049 0.000 2.362 559 G HA2 0.299 4.259 3.960 -0.000 0.000 0.288 559 G HA3 0.299 4.259 3.960 -0.000 0.000 0.288 559 G C -1.986 172.931 174.900 0.028 0.000 1.305 559 G CA -0.974 44.151 45.100 0.042 0.000 0.910 559 G HN 0.348 nan 8.290 nan 0.000 0.518 560 E N -0.098 120.112 120.200 0.016 0.000 2.338 560 E HA 0.452 4.802 4.350 -0.000 0.000 0.272 560 E C -0.677 175.888 176.600 -0.057 0.000 1.029 560 E CA 0.088 56.486 56.400 -0.004 0.000 0.872 560 E CB 1.349 31.050 29.700 0.002 0.000 1.015 560 E HN 0.352 nan 8.360 nan 0.000 0.417 561 E N 2.486 122.634 120.200 -0.087 0.000 2.795 561 E HA 0.143 4.493 4.350 -0.000 0.000 0.226 561 E C -1.615 174.874 176.600 -0.185 0.000 1.088 561 E CA -0.335 55.892 56.400 -0.288 0.000 0.812 561 E CB 1.250 30.779 29.700 -0.284 0.000 1.328 561 E HN 0.203 nan 8.360 nan 0.000 0.410 562 V N 5.677 125.531 119.914 -0.100 0.000 2.299 562 V HA 0.249 4.368 4.120 -0.000 0.000 0.255 562 V C -0.677 175.506 176.094 0.148 0.000 1.100 562 V CA 0.055 62.378 62.300 0.039 0.000 0.938 562 V CB 0.171 32.031 31.823 0.061 0.000 1.139 562 V HN 0.637 nan 8.190 nan 0.000 0.490 563 H N 4.147 123.237 119.070 0.033 0.000 2.662 563 H HA 0.369 4.925 4.556 -0.001 0.000 0.268 563 H C 1.343 176.661 175.328 -0.018 0.000 1.152 563 H CA -0.070 55.980 56.048 0.004 0.000 1.072 563 H CB 0.673 30.434 29.762 -0.003 0.000 1.660 563 H HN 0.658 nan 8.280 nan 0.000 0.584 564 G N 2.152 110.998 108.800 0.077 0.000 2.624 564 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.292 564 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.292 564 G C 0.627 175.529 174.900 0.003 0.000 0.777 564 G CA -0.395 44.707 45.100 0.003 0.000 1.883 564 G HN 0.070 nan 8.290 nan 0.000 0.505 565 K N 1.865 122.264 120.400 -0.002 0.000 3.077 565 K HA -0.019 4.301 4.320 -0.000 0.000 0.269 565 K C 0.982 177.572 176.600 -0.016 0.000 0.973 565 K CA -0.046 56.234 56.287 -0.012 0.000 1.162 565 K CB -0.231 32.255 32.500 -0.023 0.000 1.079 565 K HN 0.812 nan 8.250 nan 0.000 0.456 566 Q N -0.960 118.830 119.800 -0.017 0.000 2.493 566 Q HA -0.239 4.101 4.340 -0.000 0.000 0.278 566 Q C 0.373 176.360 176.000 -0.022 0.000 1.216 566 Q CA 0.617 56.409 55.803 -0.018 0.000 0.875 566 Q CB -1.338 27.393 28.738 -0.012 0.000 1.262 566 Q HN 0.754 nan 8.270 nan 0.000 0.468 567 G N -1.376 107.406 108.800 -0.030 0.000 2.738 567 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.195 567 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.195 567 G C -0.491 174.388 174.900 -0.035 0.000 1.001 567 G CA -0.132 44.952 45.100 -0.028 0.000 0.759 567 G HN 0.183 nan 8.290 nan 0.000 0.494 568 Q N 0.466 120.242 119.800 -0.041 0.000 2.325 568 Q HA 0.726 5.066 4.340 -0.000 0.000 0.270 568 Q C -1.063 174.906 176.000 -0.053 0.000 1.020 568 Q CA -0.369 55.401 55.803 -0.055 0.000 0.785 568 Q CB 2.355 31.064 28.738 -0.048 0.000 1.259 568 Q HN 0.267 nan 8.270 nan 0.000 0.452 569 L N 1.986 123.162 121.223 -0.079 0.000 2.313 569 L HA 0.486 4.826 4.340 -0.000 0.000 0.283 569 L C 0.016 176.849 176.870 -0.062 0.000 1.013 569 L CA -0.115 54.699 54.840 -0.043 0.000 0.816 569 L CB 1.485 43.500 42.059 -0.073 0.000 1.236 569 L HN 0.337 nan 8.230 nan 0.000 0.419 570 K N 4.284 124.703 120.400 0.031 0.000 2.221 570 K HA 0.881 5.201 4.320 -0.000 0.000 0.258 570 K C -1.730 174.932 176.600 0.103 0.000 0.944 570 K CA -0.647 55.642 56.287 0.004 0.000 0.823 570 K CB 1.229 33.713 32.500 -0.027 0.000 1.113 570 K HN 0.535 nan 8.250 nan 0.000 0.431 571 L N 0.496 121.728 121.223 0.015 0.000 2.526 571 L HA 0.429 4.769 4.340 -0.000 0.000 0.263 571 L C -0.791 176.079 176.870 -0.000 0.000 0.943 571 L CA -0.982 53.879 54.840 0.036 0.000 0.859 571 L CB 1.756 43.815 42.059 -0.001 0.000 1.313 571 L HN 0.412 nan 8.230 nan 0.000 0.406 572 T N 3.225 117.795 114.554 0.027 0.000 2.875 572 T HA 0.878 5.227 4.350 -0.000 0.000 0.284 572 T C -0.496 174.212 174.700 0.013 0.000 0.995 572 T CA -0.538 61.569 62.100 0.013 0.000 1.060 572 T CB 1.440 70.321 68.868 0.023 0.000 0.967 572 T HN 0.509 nan 8.240 nan 0.000 0.476 573 L N 0.260 121.486 121.223 0.005 0.000 2.482 573 L HA 0.638 4.977 4.340 -0.000 0.000 0.263 573 L C -0.167 176.706 176.870 0.005 0.000 0.957 573 L CA -1.261 53.586 54.840 0.012 0.000 0.836 573 L CB 1.345 43.413 42.059 0.015 0.000 1.324 573 L HN 0.439 nan 8.230 nan 0.000 0.406 574 R N 0.600 121.110 120.500 0.017 0.000 2.652 574 R HA 0.508 4.848 4.340 -0.000 0.000 0.272 574 R C -2.310 173.996 176.300 0.010 0.000 1.162 574 R CA -1.626 54.483 56.100 0.015 0.000 1.199 574 R CB -0.247 30.070 30.300 0.028 0.000 1.166 574 R HN 0.373 nan 8.270 nan 0.000 0.597 575 P HA -0.084 nan 4.420 nan 0.000 0.264 575 P C -1.043 176.325 177.300 0.112 0.000 1.193 575 P CA 0.688 63.787 63.100 -0.001 0.000 0.763 575 P CB 0.039 31.791 31.700 0.087 0.000 0.810 576 Y N -0.648 119.654 120.300 0.003 0.000 3.825 576 Y HA -0.271 4.279 4.550 -0.000 0.000 0.221 576 Y C 0.852 176.771 175.900 0.031 0.000 1.195 576 Y CA 0.521 58.627 58.100 0.010 0.000 1.699 576 Y CB -1.931 36.526 38.460 -0.006 0.000 1.531 576 Y HN 0.443 nan 8.280 nan 0.000 0.640 577 Q N 0.951 120.816 119.800 0.109 0.000 2.267 577 Q HA 0.551 4.891 4.340 -0.000 0.000 0.255 577 Q C 0.568 176.639 176.000 0.119 0.000 0.923 577 Q CA 0.103 55.971 55.803 0.110 0.000 0.925 577 Q CB 1.181 29.963 28.738 0.073 0.000 1.195 577 Q HN 0.403 nan 8.270 nan 0.000 0.417 578 G N 3.748 112.636 108.800 0.147 0.000 2.379 578 G HA2 0.571 4.530 3.960 -0.000 0.000 0.327 578 G HA3 0.571 4.530 3.960 -0.000 0.000 0.327 578 G C -0.877 174.093 174.900 0.117 0.000 1.145 578 G CA -0.664 44.522 45.100 0.144 0.000 0.905 578 G HN 0.613 nan 8.290 nan 0.000 0.466 579 M N 1.470 121.126 119.600 0.095 0.000 2.436 579 M HA 0.474 4.954 4.480 -0.000 0.000 0.331 579 M C -0.683 175.668 176.300 0.084 0.000 1.135 579 M CA -0.424 54.929 55.300 0.088 0.000 0.987 579 M CB 2.508 35.156 32.600 0.081 0.000 1.687 579 M HN 0.252 nan 8.290 nan 0.000 0.445 580 I N 4.429 125.045 120.570 0.075 0.000 2.437 580 I HA 0.372 4.542 4.170 -0.000 0.000 0.279 580 I C -1.143 175.013 176.117 0.066 0.000 1.028 580 I CA -0.346 60.990 61.300 0.060 0.000 1.142 580 I CB 0.916 38.937 38.000 0.035 0.000 1.266 580 I HN 0.521 nan 8.210 nan 0.000 0.461 581 L N 5.505 126.772 121.223 0.073 0.000 2.282 581 L HA 0.448 4.788 4.340 -0.000 0.000 0.288 581 L C -1.059 175.636 176.870 -0.292 0.000 1.033 581 L CA -0.381 54.463 54.840 0.006 0.000 0.807 581 L CB 1.483 43.685 42.059 0.239 0.000 1.209 581 L HN 0.573 nan 8.230 nan 0.000 0.423 582 W N 4.673 125.652 121.300 -0.534 0.000 2.656 582 W HA 0.381 5.041 4.660 -0.000 0.000 0.327 582 W C 0.674 176.698 176.519 -0.824 0.000 1.041 582 W CA -0.898 56.086 57.345 -0.601 0.000 1.229 582 W CB 1.047 30.330 29.460 -0.295 0.000 1.397 582 W HN 0.427 nan 8.180 nan 0.000 0.479 583 N N 2.712 120.665 118.700 -1.245 0.000 2.021 583 N HA -0.072 4.668 4.740 -0.000 0.000 0.198 583 N C 0.994 175.876 175.510 -1.047 0.000 1.041 583 N CA 3.003 55.437 53.050 -1.027 0.000 0.862 583 N CB -0.499 37.777 38.487 -0.352 0.000 1.048 583 N HN 1.010 nan 8.380 nan 0.000 0.427 584 G N -0.259 107.505 108.800 -1.727 0.000 2.970 584 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.249 584 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.249 584 G C -0.609 173.991 174.900 -0.499 0.000 1.113 584 G CA 0.041 44.241 45.100 -1.500 0.000 1.119 584 G HN 0.448 nan 8.290 nan 0.000 0.552 585 R N 0.000 120.358 120.500 -0.236 0.000 2.786 585 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 585 R CA 0.000 56.103 56.100 0.005 0.000 0.921 585 R CB 0.000 30.284 30.300 -0.026 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535