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 3p0w_1_A DATA FIRST_RESID 6 DATA SEQUENCE HTPRVTEMQV IPVAGRDSML LNLCGAHAPF FTRNLVILKD NAGRTGVGEV DATA SEQUENCE PGGEGIRQAL ERVIPLVVGQ SIGRTNGVLS SIRRALAXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXRM DNVITAVEAA LLDLLGQFLE VPVAELLGAG DATA SEQUENCE QQRDSAPMLA YLFYVGDRRK TDLPYLEGAN GADDWLRLRH EAAMTPAAIA DATA SEQUENCE RLAEAATERY GFADFKLKGG VMPGAEEMEA IAAIKARFPH ARVTLDPNGA DATA SEQUENCE WSLNEAIALC KGQGHLVAYA EDPCGPEAGY SGREVMAEFK RATGIPTATN DATA SEQUENCE MIATDWRQMG HAVQLHAVDI PLADPHFWTM QGSVRVAQLC DEWGLTWGSH DATA SEQUENCE SNNHFDVSLA MFTHVAAAAP GNITAIDTHW IWQEAQERLT REPLRIQGGH DATA SEQUENCE VAVPERPGLG IEIDMDRVMA AHALYKTLGP GARDDAMAMQ YLVPGWTYDP DATA SEQUENCE KRPSL 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.303 175.328 -0.042 0.000 0.993 6 H CA 0.000 56.053 56.048 0.007 0.000 1.023 6 H CB 0.000 29.795 29.762 0.055 0.000 1.292 7 T N 2.665 117.233 114.554 0.023 0.000 2.901 7 T HA 0.311 4.661 4.350 -0.000 0.000 0.301 7 T C -2.552 171.948 174.700 -0.333 0.000 1.012 7 T CA -1.193 60.755 62.100 -0.254 0.000 1.135 7 T CB 1.346 70.115 68.868 -0.165 0.000 0.936 7 T HN -0.115 nan 8.240 nan 0.000 0.539 8 P HA 0.247 nan 4.420 nan 0.000 0.268 8 P C -0.119 177.042 177.300 -0.232 0.000 1.208 8 P CA -0.284 62.609 63.100 -0.346 0.000 0.777 8 P CB 0.448 31.905 31.700 -0.405 0.000 0.875 9 R N 0.748 121.157 120.500 -0.152 0.000 2.803 9 R HA 0.519 4.859 4.340 -0.000 0.000 0.276 9 R C -0.893 175.353 176.300 -0.090 0.000 0.978 9 R CA -1.269 54.765 56.100 -0.111 0.000 0.939 9 R CB 1.426 31.674 30.300 -0.088 0.000 1.179 9 R HN 0.175 nan 8.270 nan 0.000 0.472 10 V N 1.865 121.733 119.914 -0.075 0.000 2.572 10 V HA -0.008 4.112 4.120 -0.000 0.000 0.291 10 V C 1.399 177.461 176.094 -0.054 0.000 1.039 10 V CA 0.587 62.850 62.300 -0.062 0.000 1.055 10 V CB 1.119 32.909 31.823 -0.054 0.000 0.969 10 V HN 1.057 nan 8.190 nan 0.000 0.482 11 T N 0.897 115.421 114.554 -0.049 0.000 2.990 11 T HA 0.317 4.667 4.350 -0.000 0.000 0.249 11 T C 0.307 174.984 174.700 -0.039 0.000 1.039 11 T CA -0.062 62.013 62.100 -0.043 0.000 1.036 11 T CB 0.296 69.140 68.868 -0.040 0.000 0.994 11 T HN 0.671 nan 8.240 nan 0.000 0.489 12 E N 0.189 120.365 120.200 -0.040 0.000 2.352 12 E HA 0.561 4.910 4.350 -0.000 0.000 0.280 12 E C -1.721 174.853 176.600 -0.043 0.000 0.930 12 E CA -0.568 55.808 56.400 -0.040 0.000 0.765 12 E CB 2.640 32.317 29.700 -0.039 0.000 1.219 12 E HN 0.237 nan 8.360 nan 0.000 0.434 13 M N 2.232 121.805 119.600 -0.045 0.000 2.259 13 M HA 0.344 4.824 4.480 -0.000 0.000 0.304 13 M C -1.738 174.529 176.300 -0.055 0.000 1.019 13 M CA -0.285 54.985 55.300 -0.049 0.000 0.922 13 M CB 1.718 34.291 32.600 -0.046 0.000 1.600 13 M HN 0.441 nan 8.290 nan 0.000 0.433 14 Q N 3.068 122.829 119.800 -0.065 0.000 2.337 14 Q HA 0.622 4.962 4.340 -0.000 0.000 0.266 14 Q C -1.539 174.405 176.000 -0.092 0.000 1.023 14 Q CA -0.857 54.897 55.803 -0.082 0.000 0.829 14 Q CB 3.085 31.767 28.738 -0.094 0.000 1.306 14 Q HN 0.605 nan 8.270 nan 0.000 0.449 15 V N 4.772 124.624 119.914 -0.103 0.000 2.350 15 V HA 0.462 4.582 4.120 -0.000 0.000 0.285 15 V C -0.449 175.548 176.094 -0.161 0.000 1.014 15 V CA -0.382 61.852 62.300 -0.110 0.000 0.831 15 V CB 1.151 32.923 31.823 -0.084 0.000 1.000 15 V HN 0.632 nan 8.190 nan 0.000 0.433 16 I N 7.202 127.656 120.570 -0.192 0.000 2.448 16 I HA 0.365 4.535 4.170 -0.000 0.000 0.281 16 I C -2.633 173.329 176.117 -0.259 0.000 1.027 16 I CA -2.015 59.112 61.300 -0.288 0.000 1.111 16 I CB 2.493 40.300 38.000 -0.321 0.000 1.236 16 I HN 0.395 nan 8.210 nan 0.000 0.452 17 P HA 0.101 nan 4.420 nan 0.000 0.271 17 P C -0.644 176.436 177.300 -0.366 0.000 1.220 17 P CA -0.075 62.719 63.100 -0.510 0.000 0.768 17 P CB 0.809 31.785 31.700 -1.208 0.000 0.848 18 V N 0.383 120.155 119.914 -0.236 0.000 2.823 18 V HA 0.952 5.072 4.120 -0.000 0.000 0.312 18 V C -0.636 175.454 176.094 -0.007 0.000 1.072 18 V CA -1.417 60.802 62.300 -0.135 0.000 0.937 18 V CB 1.865 33.488 31.823 -0.333 0.000 1.013 18 V HN 0.573 nan 8.190 nan 0.000 0.430 19 A N 1.988 124.836 122.820 0.045 0.000 2.356 19 A HA 1.062 5.382 4.320 -0.000 0.000 0.323 19 A C 0.108 177.742 177.584 0.083 0.000 1.119 19 A CA -0.135 51.924 52.037 0.037 0.000 0.790 19 A CB 1.644 20.652 19.000 0.015 0.000 1.273 19 A HN 2.023 nan 8.150 nan 0.000 0.452 20 G N 0.061 108.704 108.800 -0.263 0.000 2.733 20 G HA2 0.621 4.581 3.960 -0.000 0.000 0.288 20 G HA3 0.621 4.581 3.960 -0.000 0.000 0.288 20 G C -1.085 173.845 174.900 0.050 0.000 1.373 20 G CA -0.871 44.131 45.100 -0.164 0.000 0.895 20 G HN 0.758 nan 8.290 nan 0.000 0.479 21 R N -0.080 120.579 120.500 0.265 0.000 2.474 21 R HA 0.572 4.912 4.340 -0.000 0.000 0.295 21 R C -1.341 175.129 176.300 0.284 0.000 0.980 21 R CA -0.629 55.593 56.100 0.204 0.000 0.934 21 R CB 1.884 32.248 30.300 0.108 0.000 1.101 21 R HN 0.492 nan 8.270 nan 0.000 0.469 22 D N -0.159 120.338 120.400 0.161 0.000 2.547 22 D HA 0.310 4.950 4.640 -0.000 0.000 0.231 22 D C -0.649 175.737 176.300 0.143 0.000 1.099 22 D CA -0.374 53.712 54.000 0.144 0.000 0.901 22 D CB 1.954 42.830 40.800 0.127 0.000 1.478 22 D HN 0.306 nan 8.370 nan 0.000 0.471 23 S N 0.856 116.584 115.700 0.047 0.000 2.624 23 S HA 0.165 4.635 4.470 -0.000 0.000 0.263 23 S C 0.800 175.290 174.600 -0.184 0.000 1.287 23 S CA -0.540 57.642 58.200 -0.030 0.000 0.990 23 S CB 0.509 63.608 63.200 -0.168 0.000 0.950 23 S HN 0.573 nan 8.310 nan 0.000 0.561 24 M N 2.435 121.770 119.600 -0.443 0.000 3.742 24 M HA 0.203 4.682 4.480 -0.000 0.000 0.197 24 M C -1.117 174.921 176.300 -0.436 0.000 1.417 24 M CA -0.115 54.874 55.300 -0.519 0.000 1.653 24 M CB -0.944 31.139 32.600 -0.861 0.000 1.079 24 M HN 0.448 nan 8.290 nan 0.000 0.558 25 L N 2.221 123.083 121.223 -0.603 0.000 2.513 25 L HA 0.038 4.378 4.340 -0.000 0.000 0.272 25 L C -0.391 176.173 176.870 -0.509 0.000 1.187 25 L CA -0.286 54.034 54.840 -0.867 0.000 0.895 25 L CB -0.054 40.884 42.059 -1.868 0.000 1.147 25 L HN 0.323 nan 8.230 nan 0.000 0.483 26 L N 5.138 126.237 121.223 -0.206 0.000 2.325 26 L HA 0.516 4.856 4.340 -0.000 0.000 0.279 26 L C 0.227 177.152 176.870 0.092 0.000 1.054 26 L CA -0.014 54.798 54.840 -0.046 0.000 0.804 26 L CB 1.247 43.310 42.059 0.007 0.000 1.200 26 L HN 0.769 nan 8.230 nan 0.000 0.436 27 N N 2.046 120.797 118.700 0.085 0.000 3.364 27 N HA 0.151 4.891 4.740 -0.000 0.000 0.294 27 N C 0.431 176.041 175.510 0.167 0.000 1.562 27 N CA -0.755 52.383 53.050 0.147 0.000 0.862 27 N CB 0.843 39.454 38.487 0.207 0.000 1.691 27 N HN 0.408 nan 8.380 nan 0.000 0.572 28 L N 0.208 121.554 121.223 0.205 0.000 2.127 28 L HA -0.101 4.238 4.340 -0.000 0.000 0.211 28 L C 1.675 178.841 176.870 0.493 0.000 1.089 28 L CA 1.529 56.547 54.840 0.298 0.000 0.757 28 L CB -0.209 42.007 42.059 0.262 0.000 0.899 28 L HN 0.614 nan 8.230 nan 0.000 0.434 29 C N -0.442 119.080 119.300 0.369 0.000 2.539 29 C HA 0.353 4.813 4.460 -0.000 0.000 0.268 29 C C 1.428 176.527 174.990 0.181 0.000 1.395 29 C CA 0.251 59.491 59.018 0.370 0.000 1.757 29 C CB -0.918 26.893 27.740 0.118 0.000 1.851 29 C HN 0.852 nan 8.230 nan 0.000 0.545 30 G N -0.122 108.619 108.800 -0.098 0.000 2.113 30 G HA2 0.394 4.354 3.960 -0.000 0.000 0.082 30 G HA3 0.394 4.354 3.960 -0.000 0.000 0.082 30 G C -1.233 173.490 174.900 -0.294 0.000 1.155 30 G CA 0.191 44.927 45.100 -0.606 0.000 1.241 30 G HN 0.890 nan 8.290 nan 0.000 0.453 31 A N -0.289 122.401 122.820 -0.217 0.000 2.374 31 A HA 0.778 5.098 4.320 -0.000 0.000 0.305 31 A C -0.436 177.173 177.584 0.042 0.000 1.053 31 A CA -0.376 51.602 52.037 -0.098 0.000 0.726 31 A CB 0.631 19.548 19.000 -0.137 0.000 1.229 31 A HN 0.815 nan 8.150 nan 0.000 0.431 32 H N 1.373 120.360 119.070 -0.137 0.000 2.964 32 H HA 0.266 4.821 4.556 -0.000 0.000 0.328 32 H C 1.120 176.452 175.328 0.007 0.000 1.030 32 H CA 0.389 56.375 56.048 -0.104 0.000 1.445 32 H CB 1.019 30.652 29.762 -0.215 0.000 1.449 32 H HN 0.877 nan 8.280 nan 0.000 0.581 33 A N 5.408 128.273 122.820 0.075 0.000 2.386 33 A HA 0.065 4.385 4.320 -0.000 0.000 0.246 33 A C -1.295 176.236 177.584 -0.087 0.000 1.089 33 A CA -1.164 50.882 52.037 0.015 0.000 0.790 33 A CB -0.030 18.974 19.000 0.006 0.000 1.042 33 A HN 0.554 nan 8.150 nan 0.000 0.497 34 P HA 0.022 nan 4.420 nan 0.000 0.225 34 P C -0.491 176.311 177.300 -0.829 0.000 1.148 34 P CA 1.138 63.677 63.100 -0.935 0.000 0.779 34 P CB -0.010 30.837 31.700 -1.423 0.000 0.780 35 F N -0.700 119.220 119.950 -0.049 0.000 2.563 35 F HA 0.498 5.025 4.527 -0.000 0.000 0.316 35 F C 0.136 176.003 175.800 0.112 0.000 1.076 35 F CA -1.474 56.536 58.000 0.017 0.000 0.921 35 F CB 1.139 40.108 39.000 -0.052 0.000 1.209 35 F HN -0.262 nan 8.300 nan 0.000 0.462 36 F N -0.678 119.378 119.950 0.176 0.000 2.598 36 F HA 0.934 5.461 4.527 -0.000 0.000 0.327 36 F C -0.504 175.404 175.800 0.181 0.000 1.057 36 F CA -1.157 56.899 58.000 0.094 0.000 0.957 36 F CB 1.427 40.414 39.000 -0.020 0.000 1.278 36 F HN 0.482 nan 8.300 nan 0.000 0.484 37 T N 0.099 114.773 114.554 0.201 0.000 2.908 37 T HA 0.813 5.163 4.350 -0.000 0.000 0.290 37 T C -0.799 174.060 174.700 0.265 0.000 1.034 37 T CA -1.022 61.173 62.100 0.159 0.000 1.010 37 T CB 2.073 71.063 68.868 0.202 0.000 1.068 37 T HN 0.821 nan 8.240 nan 0.000 0.481 38 R N 1.731 122.382 120.500 0.251 0.000 2.808 38 R HA 0.510 4.850 4.340 -0.000 0.000 0.272 38 R C -1.127 175.213 176.300 0.066 0.000 0.995 38 R CA -0.912 55.330 56.100 0.236 0.000 0.917 38 R CB 1.676 32.247 30.300 0.452 0.000 1.217 38 R HN 0.663 nan 8.270 nan 0.000 0.471 39 N N 1.807 120.522 118.700 0.025 0.000 2.408 39 N HA 0.358 5.098 4.740 -0.000 0.000 0.280 39 N C -0.619 174.867 175.510 -0.040 0.000 1.002 39 N CA -0.553 52.466 53.050 -0.052 0.000 0.907 39 N CB 1.647 40.103 38.487 -0.052 0.000 1.161 39 N HN 0.327 nan 8.380 nan 0.000 0.488 40 L N -0.198 120.974 121.223 -0.085 0.000 2.322 40 L HA 0.794 5.134 4.340 -0.000 0.000 0.269 40 L C -0.450 176.371 176.870 -0.082 0.000 1.012 40 L CA -0.895 53.903 54.840 -0.071 0.000 0.815 40 L CB 1.054 43.060 42.059 -0.089 0.000 1.295 40 L HN 0.075 nan 8.230 nan 0.000 0.438 41 V N 2.960 122.836 119.914 -0.064 0.000 2.540 41 V HA 0.556 4.675 4.120 -0.000 0.000 0.302 41 V C -0.173 175.884 176.094 -0.063 0.000 1.035 41 V CA -0.252 62.009 62.300 -0.065 0.000 0.873 41 V CB 1.640 33.431 31.823 -0.053 0.000 0.992 41 V HN 0.695 nan 8.190 nan 0.000 0.428 42 I N 5.888 126.417 120.570 -0.068 0.000 2.418 42 I HA 0.498 4.668 4.170 -0.000 0.000 0.287 42 I C -0.748 175.336 176.117 -0.054 0.000 1.008 42 I CA -0.363 60.901 61.300 -0.060 0.000 1.104 42 I CB 1.678 39.638 38.000 -0.067 0.000 1.264 42 I HN 0.313 nan 8.210 nan 0.000 0.438 43 L N 6.328 127.523 121.223 -0.047 0.000 2.334 43 L HA 0.603 4.943 4.340 -0.000 0.000 0.273 43 L C -0.359 176.487 176.870 -0.040 0.000 1.013 43 L CA -0.855 53.958 54.840 -0.045 0.000 0.816 43 L CB 1.937 43.970 42.059 -0.044 0.000 1.278 43 L HN 0.504 nan 8.230 nan 0.000 0.431 44 K N 1.210 121.586 120.400 -0.040 0.000 2.318 44 K HA 0.471 4.791 4.320 -0.000 0.000 0.249 44 K C -1.413 175.162 176.600 -0.041 0.000 0.942 44 K CA -0.876 55.389 56.287 -0.036 0.000 0.808 44 K CB 2.340 34.820 32.500 -0.033 0.000 1.189 44 K HN 0.621 nan 8.250 nan 0.000 0.428 45 D N -0.159 120.216 120.400 -0.041 0.000 2.553 45 D HA 0.139 4.779 4.640 -0.000 0.000 0.249 45 D C 0.375 176.646 176.300 -0.049 0.000 1.062 45 D CA -0.686 53.281 54.000 -0.054 0.000 1.085 45 D CB 0.275 41.033 40.800 -0.070 0.000 1.350 45 D HN 0.296 nan 8.370 nan 0.000 0.575 46 N N -0.727 117.935 118.700 -0.062 0.000 2.242 46 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 46 N C 0.925 176.414 175.510 -0.035 0.000 1.005 46 N CA 2.075 55.092 53.050 -0.055 0.000 0.877 46 N CB -0.201 38.240 38.487 -0.076 0.000 0.983 46 N HN 0.565 nan 8.380 nan 0.000 0.439 47 A N -1.367 121.436 122.820 -0.027 0.000 2.574 47 A HA 0.586 4.906 4.320 -0.000 0.000 0.283 47 A C 1.292 178.879 177.584 0.005 0.000 1.270 47 A CA 0.226 52.264 52.037 0.000 0.000 0.945 47 A CB -0.391 18.625 19.000 0.027 0.000 1.127 47 A HN 0.242 nan 8.150 nan 0.000 0.522 48 G N 0.070 108.866 108.800 -0.007 0.000 2.168 48 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.263 48 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.263 48 G C 0.366 175.265 174.900 -0.002 0.000 0.977 48 G CA 0.563 45.660 45.100 -0.005 0.000 0.659 48 G HN 0.685 nan 8.290 nan 0.000 0.533 49 R N 0.018 120.518 120.500 -0.000 0.000 2.528 49 R HA 0.597 4.937 4.340 -0.000 0.000 0.271 49 R C -0.193 176.102 176.300 -0.009 0.000 1.056 49 R CA 0.122 56.224 56.100 0.003 0.000 1.117 49 R CB 0.749 31.059 30.300 0.017 0.000 1.085 49 R HN 0.155 nan 8.270 nan 0.000 0.530 50 T N 0.226 114.775 114.554 -0.008 0.000 2.829 50 T HA 0.533 4.883 4.350 -0.000 0.000 0.280 50 T C -0.217 174.472 174.700 -0.018 0.000 0.999 50 T CA -0.811 61.279 62.100 -0.017 0.000 0.983 50 T CB 1.986 70.844 68.868 -0.017 0.000 0.968 50 T HN 0.726 nan 8.240 nan 0.000 0.446 51 G N 0.928 109.712 108.800 -0.027 0.000 2.482 51 G HA2 0.715 4.675 3.960 -0.000 0.000 0.317 51 G HA3 0.715 4.675 3.960 -0.000 0.000 0.317 51 G C -0.793 174.086 174.900 -0.036 0.000 1.241 51 G CA -0.811 44.271 45.100 -0.031 0.000 0.967 51 G HN 0.883 nan 8.290 nan 0.000 0.482 52 V N -0.846 119.046 119.914 -0.037 0.000 2.962 52 V HA 1.041 5.160 4.120 -0.000 0.000 0.313 52 V C 0.093 176.164 176.094 -0.038 0.000 1.099 52 V CA -0.544 61.734 62.300 -0.037 0.000 0.971 52 V CB 1.690 33.495 31.823 -0.031 0.000 1.028 52 V HN 1.373 nan 8.190 nan 0.000 0.430 53 G N 1.096 109.875 108.800 -0.035 0.000 2.667 53 G HA2 0.679 4.639 3.960 -0.000 0.000 0.298 53 G HA3 0.679 4.639 3.960 -0.000 0.000 0.298 53 G C -1.683 173.214 174.900 -0.005 0.000 1.377 53 G CA -0.497 44.586 45.100 -0.028 0.000 0.964 53 G HN 1.081 nan 8.290 nan 0.000 0.493 54 E N -0.045 120.173 120.200 0.031 0.000 2.292 54 E HA 0.666 5.016 4.350 -0.000 0.000 0.272 54 E C -0.894 175.792 176.600 0.144 0.000 0.881 54 E CA -0.791 55.658 56.400 0.082 0.000 0.754 54 E CB 2.639 32.417 29.700 0.129 0.000 1.201 54 E HN 0.761 nan 8.360 nan 0.000 0.425 55 V N -0.132 119.843 119.914 0.103 0.000 3.226 55 V HA 0.635 4.755 4.120 -0.000 0.000 0.304 55 V C -2.880 173.231 176.094 0.028 0.000 1.336 55 V CA -2.444 59.908 62.300 0.087 0.000 1.066 55 V CB 1.221 33.071 31.823 0.046 0.000 1.087 55 V HN 0.555 nan 8.190 nan 0.000 0.451 56 P HA 0.251 nan 4.420 nan 0.000 0.266 56 P C 0.352 177.678 177.300 0.043 0.000 1.193 56 P CA 1.195 64.311 63.100 0.027 0.000 0.770 56 P CB 0.260 31.956 31.700 -0.007 0.000 0.836 57 G N 0.916 109.769 108.800 0.088 0.000 2.588 57 G HA2 0.540 4.499 3.960 -0.000 0.000 0.278 57 G HA3 0.540 4.499 3.960 -0.000 0.000 0.278 57 G C -0.084 174.853 174.900 0.063 0.000 1.307 57 G CA -0.054 45.092 45.100 0.077 0.000 1.016 57 G HN 0.814 nan 8.290 nan 0.000 0.503 58 G N -1.412 107.430 108.800 0.071 0.000 2.535 58 G HA2 0.130 4.090 3.960 -0.000 0.000 0.662 58 G HA3 0.130 4.090 3.960 -0.000 0.000 0.662 58 G C 0.121 175.053 174.900 0.053 0.000 1.417 58 G CA 0.472 45.611 45.100 0.065 0.000 0.866 58 G HN 0.726 nan 8.290 nan 0.000 0.647 59 E N 0.895 121.134 120.200 0.065 0.000 2.077 59 E HA 0.001 4.351 4.350 -0.000 0.000 0.193 59 E C 2.614 179.230 176.600 0.028 0.000 0.989 59 E CA 2.873 59.306 56.400 0.055 0.000 0.800 59 E CB -0.635 29.101 29.700 0.060 0.000 0.746 59 E HN 0.975 nan 8.360 nan 0.000 0.452 60 G N 0.945 109.758 108.800 0.023 0.000 2.553 60 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 60 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 60 G C 1.701 176.600 174.900 -0.002 0.000 1.195 60 G CA 1.402 46.508 45.100 0.010 0.000 0.779 60 G HN 0.347 nan 8.290 nan 0.000 0.577 61 I N 0.059 120.625 120.570 -0.008 0.000 2.179 61 I HA -0.128 4.042 4.170 -0.000 0.000 0.242 61 I C 2.858 178.961 176.117 -0.024 0.000 1.088 61 I CA 1.205 62.491 61.300 -0.024 0.000 1.357 61 I CB -0.264 37.717 38.000 -0.033 0.000 1.051 61 I HN 0.104 nan 8.210 nan 0.000 0.409 62 R N 0.830 121.318 120.500 -0.020 0.000 2.080 62 R HA -0.243 4.096 4.340 -0.000 0.000 0.236 62 R C 2.301 178.588 176.300 -0.022 0.000 1.137 62 R CA 1.989 58.071 56.100 -0.030 0.000 0.943 62 R CB -0.234 30.048 30.300 -0.030 0.000 0.846 62 R HN 0.455 nan 8.270 nan 0.000 0.431 63 Q N -0.582 119.213 119.800 -0.008 0.000 2.124 63 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 63 Q C 2.117 178.109 176.000 -0.013 0.000 0.977 63 Q CA 1.494 57.293 55.803 -0.007 0.000 0.850 63 Q CB -0.093 28.646 28.738 0.002 0.000 0.901 63 Q HN 0.426 nan 8.270 nan 0.000 0.429 64 A N 0.967 123.778 122.820 -0.015 0.000 1.877 64 A HA -0.174 4.145 4.320 -0.000 0.000 0.216 64 A C 2.077 179.646 177.584 -0.024 0.000 1.186 64 A CA 1.117 53.143 52.037 -0.019 0.000 0.620 64 A CB -0.717 18.270 19.000 -0.021 0.000 0.822 64 A HN 0.281 nan 8.150 nan 0.000 0.443 65 L N -0.624 120.582 121.223 -0.029 0.000 1.989 65 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 65 L C 2.766 179.616 176.870 -0.033 0.000 1.071 65 L CA 1.595 56.414 54.840 -0.035 0.000 0.749 65 L CB -0.595 41.439 42.059 -0.042 0.000 0.890 65 L HN 0.381 nan 8.230 nan 0.000 0.431 66 E N -0.022 120.159 120.200 -0.032 0.000 2.097 66 E HA -0.298 4.052 4.350 -0.000 0.000 0.196 66 E C 2.215 178.800 176.600 -0.024 0.000 1.000 66 E CA 1.445 57.828 56.400 -0.029 0.000 0.804 66 E CB -0.274 29.412 29.700 -0.024 0.000 0.740 66 E HN 0.385 nan 8.360 nan 0.000 0.454 67 R N 1.066 121.554 120.500 -0.020 0.000 2.152 67 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 67 R C 2.075 178.364 176.300 -0.019 0.000 1.117 67 R CA 1.490 57.579 56.100 -0.017 0.000 0.981 67 R CB 0.034 30.326 30.300 -0.014 0.000 0.870 67 R HN 0.175 nan 8.270 nan 0.000 0.451 68 V N -2.509 117.392 119.914 -0.022 0.000 3.542 68 V HA 0.192 4.311 4.120 -0.000 0.000 0.296 68 V C 1.651 177.729 176.094 -0.026 0.000 1.364 68 V CA 0.034 62.320 62.300 -0.023 0.000 1.118 68 V CB -0.203 31.607 31.823 -0.023 0.000 0.972 68 V HN 0.159 nan 8.190 nan 0.000 0.430 69 I N 1.185 121.738 120.570 -0.028 0.000 2.185 69 I HA -0.143 4.027 4.170 -0.000 0.000 0.246 69 I C -0.138 175.962 176.117 -0.029 0.000 1.088 69 I CA 2.045 63.327 61.300 -0.031 0.000 1.347 69 I CB -1.165 36.816 38.000 -0.032 0.000 1.041 69 I HN 0.383 nan 8.210 nan 0.000 0.415 70 P HA -0.114 nan 4.420 nan 0.000 0.225 70 P C 1.573 178.859 177.300 -0.024 0.000 1.148 70 P CA 1.218 64.304 63.100 -0.024 0.000 0.779 70 P CB 0.017 31.704 31.700 -0.021 0.000 0.780 71 L N -2.197 119.012 121.223 -0.024 0.000 2.554 71 L HA 0.001 4.341 4.340 -0.000 0.000 0.226 71 L C 1.719 178.572 176.870 -0.027 0.000 1.137 71 L CA 0.496 55.322 54.840 -0.024 0.000 0.863 71 L CB -0.101 41.946 42.059 -0.021 0.000 0.985 71 L HN -0.098 nan 8.230 nan 0.000 0.451 72 V N -2.062 117.834 119.914 -0.030 0.000 2.854 72 V HA 0.079 4.199 4.120 -0.000 0.000 0.236 72 V C 1.030 177.102 176.094 -0.037 0.000 1.157 72 V CA -0.066 62.213 62.300 -0.034 0.000 1.187 72 V CB 0.816 32.617 31.823 -0.036 0.000 0.949 72 V HN -0.106 nan 8.190 nan 0.000 0.488 73 V N 2.301 122.193 119.914 -0.036 0.000 2.557 73 V HA 0.401 4.520 4.120 -0.000 0.000 0.301 73 V C 1.481 177.552 176.094 -0.037 0.000 1.026 73 V CA 1.639 63.917 62.300 -0.037 0.000 1.137 73 V CB -0.258 31.544 31.823 -0.035 0.000 0.917 73 V HN 0.786 nan 8.190 nan 0.000 0.484 74 G N 3.353 112.128 108.800 -0.041 0.000 2.213 74 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.236 74 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.236 74 G C 0.161 175.033 174.900 -0.045 0.000 0.991 74 G CA -0.253 44.822 45.100 -0.042 0.000 0.629 74 G HN 0.584 nan 8.290 nan 0.000 0.517 75 Q N 0.854 120.626 119.800 -0.046 0.000 2.259 75 Q HA 0.549 4.889 4.340 -0.000 0.000 0.246 75 Q C 0.396 176.359 176.000 -0.061 0.000 0.920 75 Q CA 0.097 55.872 55.803 -0.048 0.000 0.895 75 Q CB 1.576 30.289 28.738 -0.042 0.000 1.220 75 Q HN 0.333 nan 8.270 nan 0.000 0.439 76 S N 1.464 117.126 115.700 -0.063 0.000 2.549 76 S HA 0.117 4.586 4.470 -0.000 0.000 0.279 76 S C 1.480 176.031 174.600 -0.082 0.000 1.321 76 S CA -0.558 57.592 58.200 -0.083 0.000 1.054 76 S CB 0.123 63.281 63.200 -0.070 0.000 0.899 76 S HN 0.597 nan 8.310 nan 0.000 0.497 77 I N 2.986 123.488 120.570 -0.114 0.000 2.756 77 I HA 0.170 4.340 4.170 -0.000 0.000 0.262 77 I C 1.824 177.907 176.117 -0.056 0.000 1.225 77 I CA 1.114 62.360 61.300 -0.089 0.000 1.472 77 I CB -0.820 37.114 38.000 -0.110 0.000 1.094 77 I HN 0.665 nan 8.210 nan 0.000 0.454 78 G N 1.324 110.089 108.800 -0.058 0.000 2.534 78 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.217 78 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.217 78 G C 1.531 176.424 174.900 -0.012 0.000 1.128 78 G CA -0.145 44.948 45.100 -0.012 0.000 0.784 78 G HN 0.337 nan 8.290 nan 0.000 0.542 79 R N 0.447 120.932 120.500 -0.025 0.000 2.568 79 R HA 0.135 4.475 4.340 -0.000 0.000 0.288 79 R C 1.639 177.926 176.300 -0.021 0.000 1.077 79 R CA 0.029 56.117 56.100 -0.021 0.000 1.102 79 R CB -0.150 30.135 30.300 -0.024 0.000 1.278 79 R HN 0.139 nan 8.270 nan 0.000 0.560 80 T N 1.586 116.127 114.554 -0.020 0.000 2.653 80 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 80 T C 1.575 176.265 174.700 -0.016 0.000 1.035 80 T CA 1.530 63.617 62.100 -0.021 0.000 1.154 80 T CB -0.051 68.806 68.868 -0.019 0.000 0.862 80 T HN 0.339 nan 8.240 nan 0.000 0.441 81 N N 0.752 119.444 118.700 -0.013 0.000 2.104 81 N HA -0.060 4.680 4.740 -0.000 0.000 0.190 81 N C 2.170 177.673 175.510 -0.011 0.000 1.024 81 N CA 1.411 54.455 53.050 -0.010 0.000 0.853 81 N CB -0.847 37.634 38.487 -0.009 0.000 1.008 81 N HN 0.513 nan 8.380 nan 0.000 0.424 82 G N 0.860 109.652 108.800 -0.013 0.000 2.402 82 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.216 82 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.216 82 G C 1.774 176.664 174.900 -0.015 0.000 1.162 82 G CA 0.673 45.765 45.100 -0.014 0.000 0.777 82 G HN 0.177 nan 8.290 nan 0.000 0.539 83 V N 1.178 121.081 119.914 -0.018 0.000 2.255 83 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 83 V C 2.941 179.025 176.094 -0.018 0.000 1.051 83 V CA 1.648 63.935 62.300 -0.020 0.000 1.018 83 V CB -0.554 31.254 31.823 -0.025 0.000 0.641 83 V HN 0.350 nan 8.190 nan 0.000 0.445 84 L N -0.138 121.075 121.223 -0.016 0.000 2.079 84 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 84 L C 2.571 179.436 176.870 -0.009 0.000 1.081 84 L CA 1.727 56.560 54.840 -0.012 0.000 0.752 84 L CB -0.681 41.373 42.059 -0.008 0.000 0.896 84 L HN 0.299 nan 8.230 nan 0.000 0.433 85 S N -0.495 115.200 115.700 -0.008 0.000 2.402 85 S HA -0.142 4.328 4.470 -0.000 0.000 0.229 85 S C 2.212 176.807 174.600 -0.008 0.000 1.021 85 S CA 1.338 59.534 58.200 -0.007 0.000 0.974 85 S CB -0.143 63.052 63.200 -0.008 0.000 0.800 85 S HN 0.641 nan 8.310 nan 0.000 0.484 86 S N 1.782 117.475 115.700 -0.011 0.000 2.371 86 S HA 0.029 4.499 4.470 -0.000 0.000 0.224 86 S C 1.795 176.388 174.600 -0.012 0.000 1.029 86 S CA 0.609 58.802 58.200 -0.012 0.000 0.978 86 S CB -0.667 62.525 63.200 -0.014 0.000 0.833 86 S HN 0.429 nan 8.310 nan 0.000 0.466 87 I N 1.892 122.454 120.570 -0.014 0.000 2.163 87 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 87 I C 3.044 179.154 176.117 -0.012 0.000 1.085 87 I CA 1.722 63.013 61.300 -0.015 0.000 1.347 87 I CB -0.351 37.638 38.000 -0.018 0.000 1.044 87 I HN 0.294 nan 8.210 nan 0.000 0.408 88 R N 0.950 121.445 120.500 -0.009 0.000 2.096 88 R HA -0.201 4.139 4.340 -0.000 0.000 0.240 88 R C 2.475 178.772 176.300 -0.005 0.000 1.139 88 R CA 1.712 57.809 56.100 -0.005 0.000 0.952 88 R CB -0.158 30.142 30.300 0.000 0.000 0.854 88 R HN 0.260 nan 8.270 nan 0.000 0.436 89 R N -0.446 120.051 120.500 -0.006 0.000 2.120 89 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 89 R C 2.269 178.565 176.300 -0.006 0.000 1.123 89 R CA 1.180 57.277 56.100 -0.005 0.000 0.975 89 R CB -0.267 30.029 30.300 -0.006 0.000 0.866 89 R HN 0.292 nan 8.270 nan 0.000 0.446 90 A N 1.001 123.816 122.820 -0.008 0.000 1.969 90 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 90 A C 2.026 179.605 177.584 -0.008 0.000 1.169 90 A CA 1.057 53.089 52.037 -0.009 0.000 0.635 90 A CB -0.264 18.729 19.000 -0.012 0.000 0.810 90 A HN 0.182 nan 8.150 nan 0.000 0.445 91 L N -0.996 120.222 121.223 -0.009 0.000 2.446 91 L HA 0.190 4.530 4.340 -0.000 0.000 0.219 91 L C 1.709 178.576 176.870 -0.005 0.000 1.116 91 L CA 0.052 54.887 54.840 -0.009 0.000 0.844 91 L CB -0.587 41.464 42.059 -0.013 0.000 0.970 91 L HN 0.378 nan 8.230 nan 0.000 0.457 125 M N 0.750 120.319 119.600 -0.052 0.000 2.319 125 M HA 0.121 4.601 4.480 -0.000 0.000 0.265 125 M C 0.232 176.494 176.300 -0.063 0.000 1.068 125 M CA 1.347 56.618 55.300 -0.048 0.000 1.118 125 M CB 0.097 32.681 32.600 -0.026 0.000 1.395 125 M HN 0.316 nan 8.290 nan 0.000 0.435 126 D N 1.548 121.902 120.400 -0.077 0.000 2.218 126 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 126 D C 1.384 177.614 176.300 -0.116 0.000 0.976 126 D CA 0.957 54.914 54.000 -0.072 0.000 0.853 126 D CB -0.349 40.416 40.800 -0.058 0.000 0.939 126 D HN 0.531 nan 8.370 nan 0.000 0.481 127 N N 0.648 119.228 118.700 -0.200 0.000 2.166 127 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 127 N C 2.085 177.528 175.510 -0.111 0.000 1.019 127 N CA 0.514 53.432 53.050 -0.221 0.000 0.856 127 N CB -0.303 38.003 38.487 -0.301 0.000 0.993 127 N HN 0.120 nan 8.380 nan 0.000 0.426 128 V N 1.807 121.670 119.914 -0.085 0.000 2.323 128 V HA -0.106 4.014 4.120 -0.000 0.000 0.244 128 V C 2.325 178.392 176.094 -0.045 0.000 1.041 128 V CA 0.963 63.229 62.300 -0.056 0.000 1.025 128 V CB -0.396 31.400 31.823 -0.046 0.000 0.656 128 V HN 0.177 nan 8.190 nan 0.000 0.451 129 I N 0.516 121.062 120.570 -0.040 0.000 2.118 129 I HA -0.297 3.872 4.170 -0.000 0.000 0.241 129 I C 2.611 178.710 176.117 -0.030 0.000 1.070 129 I CA 2.148 63.431 61.300 -0.028 0.000 1.327 129 I CB -1.077 36.914 38.000 -0.014 0.000 1.034 129 I HN 0.329 nan 8.210 nan 0.000 0.405 130 T N 1.093 115.626 114.554 -0.034 0.000 2.665 130 T HA -0.262 4.087 4.350 -0.000 0.000 0.268 130 T C 2.082 176.753 174.700 -0.048 0.000 1.035 130 T CA 1.686 63.760 62.100 -0.043 0.000 1.151 130 T CB -0.525 68.309 68.868 -0.056 0.000 0.862 130 T HN 0.534 nan 8.240 nan 0.000 0.438 131 A N 1.012 123.810 122.820 -0.036 0.000 1.892 131 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 131 A C 2.636 180.196 177.584 -0.039 0.000 1.188 131 A CA 1.995 54.013 52.037 -0.032 0.000 0.631 131 A CB -1.136 17.846 19.000 -0.029 0.000 0.822 131 A HN 0.390 nan 8.150 nan 0.000 0.447 132 V N -0.032 119.859 119.914 -0.039 0.000 2.358 132 V HA -0.238 3.881 4.120 -0.000 0.000 0.246 132 V C 2.516 178.587 176.094 -0.039 0.000 1.047 132 V CA 2.141 64.418 62.300 -0.038 0.000 1.035 132 V CB -0.807 30.996 31.823 -0.035 0.000 0.658 132 V HN 0.770 nan 8.190 nan 0.000 0.452 133 E N 0.711 120.888 120.200 -0.038 0.000 2.058 133 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 133 E C 2.255 178.825 176.600 -0.049 0.000 0.997 133 E CA 1.640 58.017 56.400 -0.037 0.000 0.801 133 E CB -0.223 29.460 29.700 -0.029 0.000 0.746 133 E HN 0.532 nan 8.360 nan 0.000 0.450 134 A N 1.383 124.167 122.820 -0.061 0.000 1.883 134 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 134 A C 2.446 179.991 177.584 -0.065 0.000 1.186 134 A CA 2.319 54.311 52.037 -0.074 0.000 0.624 134 A CB -0.950 17.999 19.000 -0.085 0.000 0.822 134 A HN 0.447 nan 8.150 nan 0.000 0.444 135 A N -1.044 121.743 122.820 -0.054 0.000 1.933 135 A HA 0.015 4.334 4.320 -0.000 0.000 0.218 135 A C 2.022 179.579 177.584 -0.046 0.000 1.175 135 A CA 1.654 53.662 52.037 -0.049 0.000 0.628 135 A CB -0.473 18.500 19.000 -0.045 0.000 0.814 135 A HN 0.392 nan 8.150 nan 0.000 0.444 136 L N -0.941 120.256 121.223 -0.044 0.000 2.046 136 L HA -0.088 4.251 4.340 -0.000 0.000 0.208 136 L C 2.322 179.170 176.870 -0.037 0.000 1.077 136 L CA 1.333 56.149 54.840 -0.040 0.000 0.747 136 L CB -1.172 40.865 42.059 -0.037 0.000 0.896 136 L HN 0.263 nan 8.230 nan 0.000 0.432 137 L N -0.607 120.588 121.223 -0.046 0.000 2.093 137 L HA -0.166 4.173 4.340 -0.000 0.000 0.208 137 L C 2.270 179.102 176.870 -0.064 0.000 1.085 137 L CA 1.406 56.214 54.840 -0.052 0.000 0.755 137 L CB -1.039 40.979 42.059 -0.068 0.000 0.904 137 L HN 0.281 nan 8.230 nan 0.000 0.435 138 D N -0.511 119.846 120.400 -0.072 0.000 2.092 138 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 138 D C 2.347 178.628 176.300 -0.032 0.000 0.994 138 D CA 1.336 55.294 54.000 -0.069 0.000 0.828 138 D CB -0.033 40.731 40.800 -0.061 0.000 0.963 138 D HN 0.244 nan 8.370 nan 0.000 0.450 139 L N 0.079 121.289 121.223 -0.021 0.000 2.012 139 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 139 L C 2.788 179.685 176.870 0.044 0.000 1.073 139 L CA 0.757 55.597 54.840 0.001 0.000 0.748 139 L CB -0.462 41.584 42.059 -0.023 0.000 0.891 139 L HN 0.198 nan 8.230 nan 0.000 0.431 140 L N -0.413 120.831 121.223 0.035 0.000 2.017 140 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 140 L C 2.525 179.455 176.870 0.100 0.000 1.073 140 L CA 1.627 56.520 54.840 0.089 0.000 0.745 140 L CB -0.755 41.330 42.059 0.044 0.000 0.894 140 L HN 0.320 nan 8.230 nan 0.000 0.432 141 G N -1.124 107.691 108.800 0.026 0.000 2.446 141 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 141 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 141 G C 1.379 176.289 174.900 0.016 0.000 1.168 141 G CA 0.578 45.677 45.100 -0.002 0.000 0.771 141 G HN 0.438 nan 8.290 nan 0.000 0.551 142 Q N -0.896 118.924 119.800 0.034 0.000 2.061 142 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 142 Q C 2.280 178.337 176.000 0.095 0.000 0.984 142 Q CA 1.409 57.242 55.803 0.050 0.000 0.846 142 Q CB -0.314 28.455 28.738 0.052 0.000 0.902 142 Q HN 0.493 nan 8.270 nan 0.000 0.421 143 F N 1.072 121.010 119.950 -0.020 0.000 2.102 143 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 143 F C 1.666 177.458 175.800 -0.013 0.000 1.105 143 F CA 1.309 59.301 58.000 -0.014 0.000 1.239 143 F CB -0.094 38.898 39.000 -0.013 0.000 0.991 143 F HN -0.037 nan 8.300 nan 0.000 0.474 144 L N -0.040 121.126 121.223 -0.095 0.000 2.554 144 L HA 0.003 4.343 4.340 -0.000 0.000 0.226 144 L C 0.421 177.203 176.870 -0.146 0.000 1.137 144 L CA 0.626 55.348 54.840 -0.196 0.000 0.863 144 L CB -0.662 41.356 42.059 -0.068 0.000 0.985 144 L HN 0.164 nan 8.230 nan 0.000 0.451 145 E N 0.049 120.192 120.200 -0.094 0.000 2.416 145 E HA -0.173 4.177 4.350 -0.000 0.000 0.249 145 E C -0.483 176.094 176.600 -0.039 0.000 1.124 145 E CA 0.428 56.792 56.400 -0.061 0.000 0.732 145 E CB -1.734 27.919 29.700 -0.078 0.000 1.286 145 E HN 0.383 nan 8.360 nan 0.000 0.394 146 V N -3.616 116.281 119.914 -0.028 0.000 2.876 146 V HA 0.753 4.872 4.120 -0.000 0.000 0.312 146 V C -2.526 173.564 176.094 -0.007 0.000 1.085 146 V CA -2.449 59.843 62.300 -0.014 0.000 0.945 146 V CB 2.188 34.000 31.823 -0.019 0.000 1.017 146 V HN -0.113 nan 8.190 nan 0.000 0.428 147 P HA 0.164 nan 4.420 nan 0.000 0.271 147 P C 1.130 178.408 177.300 -0.036 0.000 1.218 147 P CA 0.136 63.266 63.100 0.050 0.000 0.780 147 P CB 1.473 33.287 31.700 0.191 0.000 0.901 148 V N 2.639 122.395 119.914 -0.263 0.000 2.439 148 V HA -0.325 3.795 4.120 -0.000 0.000 0.253 148 V C 2.634 178.693 176.094 -0.059 0.000 1.074 148 V CA 2.736 64.875 62.300 -0.267 0.000 1.076 148 V CB -1.701 29.814 31.823 -0.514 0.000 0.664 148 V HN 0.697 nan 8.190 nan 0.000 0.461 149 A N -0.789 122.139 122.820 0.179 0.000 1.986 149 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 149 A C 2.219 179.832 177.584 0.048 0.000 1.171 149 A CA 1.785 53.922 52.037 0.168 0.000 0.640 149 A CB -0.388 18.731 19.000 0.199 0.000 0.811 149 A HN 0.501 nan 8.150 nan 0.000 0.451 150 E N -0.344 119.876 120.200 0.033 0.000 2.274 150 E HA -0.013 4.337 4.350 -0.000 0.000 0.194 150 E C 1.734 178.328 176.600 -0.010 0.000 0.996 150 E CA 0.559 56.962 56.400 0.005 0.000 0.840 150 E CB -0.131 29.570 29.700 0.002 0.000 0.772 150 E HN 0.716 nan 8.360 nan 0.000 0.491 151 L N -0.041 121.172 121.223 -0.016 0.000 2.509 151 L HA 0.125 4.465 4.340 -0.000 0.000 0.222 151 L C 0.877 177.733 176.870 -0.023 0.000 1.123 151 L CA 0.053 54.880 54.840 -0.021 0.000 0.856 151 L CB 0.132 42.175 42.059 -0.027 0.000 0.985 151 L HN -0.081 nan 8.230 nan 0.000 0.456 152 L N -0.370 120.838 121.223 -0.025 0.000 2.334 152 L HA 0.470 4.810 4.340 -0.000 0.000 0.277 152 L C 1.283 178.126 176.870 -0.045 0.000 1.075 152 L CA -0.025 54.795 54.840 -0.032 0.000 0.804 152 L CB 1.141 43.180 42.059 -0.033 0.000 1.174 152 L HN 0.227 nan 8.230 nan 0.000 0.438 153 G N 2.832 111.603 108.800 -0.049 0.000 2.629 153 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.313 153 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.313 153 G C 0.468 175.335 174.900 -0.055 0.000 1.217 153 G CA 0.390 45.451 45.100 -0.064 0.000 0.994 153 G HN 0.966 nan 8.290 nan 0.000 0.549 154 A N 0.692 123.475 122.820 -0.063 0.000 2.708 154 A HA 0.736 5.056 4.320 -0.000 0.000 0.293 154 A C 1.623 179.181 177.584 -0.043 0.000 1.303 154 A CA 1.371 53.378 52.037 -0.050 0.000 0.949 154 A CB -0.802 18.167 19.000 -0.052 0.000 1.121 154 A HN 2.856 nan 8.150 nan 0.000 0.542 155 G N -0.431 108.344 108.800 -0.041 0.000 2.698 155 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.225 155 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.225 155 G C -0.230 174.651 174.900 -0.031 0.000 1.345 155 G CA -0.165 44.918 45.100 -0.029 0.000 0.871 155 G HN 0.823 nan 8.290 nan 0.000 0.540 156 Q N -0.213 119.577 119.800 -0.017 0.000 2.332 156 Q HA 0.436 4.776 4.340 -0.000 0.000 0.263 156 Q C 0.987 176.971 176.000 -0.026 0.000 0.979 156 Q CA -0.031 55.763 55.803 -0.014 0.000 0.885 156 Q CB 0.515 29.254 28.738 0.003 0.000 1.218 156 Q HN 0.518 nan 8.270 nan 0.000 0.405 157 Q N 2.646 122.425 119.800 -0.035 0.000 2.391 157 Q HA 0.150 4.490 4.340 -0.000 0.000 0.243 157 Q C -0.218 175.769 176.000 -0.022 0.000 0.874 157 Q CA 0.622 56.403 55.803 -0.037 0.000 0.950 157 Q CB 0.991 29.693 28.738 -0.059 0.000 1.103 157 Q HN 0.679 nan 8.270 nan 0.000 0.544 158 R N -0.559 119.930 120.500 -0.017 0.000 2.707 158 R HA 0.407 4.747 4.340 -0.000 0.000 0.272 158 R C -0.800 175.498 176.300 -0.004 0.000 1.011 158 R CA -0.571 55.527 56.100 -0.003 0.000 0.893 158 R CB 0.725 31.033 30.300 0.013 0.000 1.233 158 R HN -0.346 nan 8.270 nan 0.000 0.464 159 D N 0.604 121.005 120.400 0.002 0.000 2.323 159 D HA 0.002 4.641 4.640 -0.000 0.000 0.209 159 D C 0.024 176.328 176.300 0.006 0.000 0.973 159 D CA 1.124 55.121 54.000 -0.004 0.000 0.874 159 D CB 0.353 41.148 40.800 -0.008 0.000 0.930 159 D HN 0.587 nan 8.370 nan 0.000 0.521 160 S N -0.912 114.813 115.700 0.041 0.000 2.541 160 S HA 0.734 5.204 4.470 -0.000 0.000 0.271 160 S C -0.862 173.811 174.600 0.123 0.000 1.133 160 S CA -1.111 57.145 58.200 0.093 0.000 0.876 160 S CB 2.534 65.827 63.200 0.156 0.000 1.105 160 S HN 0.035 nan 8.310 nan 0.000 0.470 161 A N 2.898 125.759 122.820 0.068 0.000 2.260 161 A HA 0.794 5.113 4.320 -0.000 0.000 0.314 161 A C -2.659 174.825 177.584 -0.166 0.000 1.257 161 A CA -2.027 50.014 52.037 0.008 0.000 0.871 161 A CB 0.159 19.170 19.000 0.019 0.000 1.166 161 A HN 0.648 nan 8.150 nan 0.000 0.522 162 P HA 0.295 nan 4.420 nan 0.000 0.276 162 P C -0.775 176.325 177.300 -0.334 0.000 1.230 162 P CA 0.242 62.926 63.100 -0.694 0.000 0.776 162 P CB 0.944 32.423 31.700 -0.368 0.000 0.888 163 M N 3.043 122.475 119.600 -0.280 0.000 2.518 163 M HA 0.392 4.872 4.480 -0.000 0.000 0.300 163 M C -0.074 176.206 176.300 -0.034 0.000 1.175 163 M CA -1.111 54.128 55.300 -0.102 0.000 0.890 163 M CB 2.175 34.789 32.600 0.023 0.000 1.710 163 M HN 0.165 nan 8.290 nan 0.000 0.453 164 L N 0.492 121.598 121.223 -0.195 0.000 2.358 164 L HA 0.993 5.333 4.340 -0.000 0.000 0.268 164 L C -0.117 176.205 176.870 -0.912 0.000 1.032 164 L CA -0.637 53.938 54.840 -0.442 0.000 0.805 164 L CB 0.817 42.631 42.059 -0.409 0.000 1.253 164 L HN 0.730 nan 8.230 nan 0.000 0.452 165 A N 0.997 122.977 122.820 -1.401 0.000 2.310 165 A HA 0.365 4.685 4.320 -0.000 0.000 0.300 165 A C -0.917 176.367 177.584 -0.501 0.000 1.269 165 A CA -0.199 50.988 52.037 -1.417 0.000 0.909 165 A CB -0.565 17.628 19.000 -1.346 0.000 1.144 165 A HN 0.596 nan 8.150 nan 0.000 0.540 166 Y N 4.408 124.471 120.300 -0.396 0.000 2.585 166 Y HA 0.359 4.909 4.550 -0.000 0.000 0.354 166 Y C -0.035 175.955 175.900 0.150 0.000 1.024 166 Y CA -0.894 57.125 58.100 -0.135 0.000 1.321 166 Y CB -0.067 38.357 38.460 -0.059 0.000 1.151 166 Y HN 0.537 nan 8.280 nan 0.000 0.525 167 L N 5.582 126.988 121.223 0.304 0.000 2.399 167 L HA 0.435 4.775 4.340 -0.000 0.000 0.266 167 L C -0.763 176.165 176.870 0.096 0.000 1.114 167 L CA -0.509 54.531 54.840 0.334 0.000 0.804 167 L CB 0.808 42.944 42.059 0.128 0.000 1.146 167 L HN 0.341 nan 8.230 nan 0.000 0.451 168 F N -0.577 119.453 119.950 0.134 0.000 2.599 168 F HA 0.432 4.959 4.527 -0.000 0.000 0.311 168 F C -0.283 175.418 175.800 -0.165 0.000 1.076 168 F CA -0.691 57.219 58.000 -0.150 0.000 0.937 168 F CB 1.365 40.097 39.000 -0.446 0.000 1.282 168 F HN 0.129 nan 8.300 nan 0.000 0.460 169 Y N 1.262 121.620 120.300 0.097 0.000 2.497 169 Y HA 0.432 4.982 4.550 -0.000 0.000 0.334 169 Y C 0.090 175.974 175.900 -0.028 0.000 1.199 169 Y CA -0.289 57.835 58.100 0.039 0.000 1.425 169 Y CB 0.458 38.924 38.460 0.011 0.000 1.291 169 Y HN 0.138 nan 8.280 nan 0.000 0.562 170 V N 3.324 123.298 119.914 0.101 0.000 2.444 170 V HA 0.500 4.620 4.120 -0.000 0.000 0.294 170 V C 0.525 176.569 176.094 -0.084 0.000 1.022 170 V CA -1.111 61.148 62.300 -0.069 0.000 0.850 170 V CB 1.396 33.165 31.823 -0.091 0.000 0.992 170 V HN 0.988 nan 8.190 nan 0.000 0.426 171 G N 2.049 110.752 108.800 -0.161 0.000 2.636 171 G HA2 0.216 4.176 3.960 -0.000 0.000 0.246 171 G HA3 0.216 4.176 3.960 -0.000 0.000 0.246 171 G C -0.316 174.466 174.900 -0.197 0.000 1.216 171 G CA -0.153 44.848 45.100 -0.165 0.000 0.854 171 G HN 0.702 nan 8.290 nan 0.000 0.572 172 D N 0.010 120.321 120.400 -0.147 0.000 2.352 172 D HA 0.056 4.696 4.640 -0.000 0.000 0.245 172 D C 1.923 178.110 176.300 -0.188 0.000 1.224 172 D CA -0.515 53.405 54.000 -0.134 0.000 0.879 172 D CB 0.648 41.405 40.800 -0.072 0.000 1.057 172 D HN 0.497 nan 8.370 nan 0.000 0.491 173 R N 3.391 123.737 120.500 -0.256 0.000 2.152 173 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 173 R C 1.392 177.627 176.300 -0.109 0.000 1.117 173 R CA 0.713 56.642 56.100 -0.285 0.000 0.981 173 R CB -0.142 29.996 30.300 -0.269 0.000 0.870 173 R HN 0.263 nan 8.270 nan 0.000 0.451 174 R N 1.038 121.493 120.500 -0.076 0.000 2.316 174 R HA 0.034 4.374 4.340 -0.000 0.000 0.202 174 R C 1.288 177.580 176.300 -0.014 0.000 1.029 174 R CA 0.858 56.938 56.100 -0.033 0.000 1.018 174 R CB 0.047 30.332 30.300 -0.025 0.000 0.888 174 R HN 0.317 nan 8.270 nan 0.000 0.471 175 K N 0.285 120.672 120.400 -0.021 0.000 2.444 175 K HA 0.005 4.325 4.320 -0.000 0.000 0.193 175 K C 0.767 177.420 176.600 0.088 0.000 1.024 175 K CA 0.555 56.861 56.287 0.032 0.000 1.077 175 K CB 0.599 33.117 32.500 0.030 0.000 0.833 175 K HN 0.151 nan 8.250 nan 0.000 0.517 176 T N -1.263 113.277 114.554 -0.025 0.000 2.940 176 T HA 0.172 4.522 4.350 -0.000 0.000 0.288 176 T C 0.094 174.737 174.700 -0.095 0.000 1.045 176 T CA -0.858 61.117 62.100 -0.207 0.000 1.018 176 T CB 1.801 70.264 68.868 -0.675 0.000 1.151 176 T HN 0.026 nan 8.240 nan 0.000 0.529 177 D N 0.289 120.636 120.400 -0.088 0.000 2.368 177 D HA 0.207 4.847 4.640 -0.000 0.000 0.218 177 D C 0.344 176.597 176.300 -0.079 0.000 1.112 177 D CA -0.373 53.625 54.000 -0.004 0.000 0.834 177 D CB -0.438 40.426 40.800 0.106 0.000 0.953 177 D HN 0.476 nan 8.370 nan 0.000 0.505 178 L N 0.333 121.431 121.223 -0.207 0.000 2.417 178 L HA 0.318 4.658 4.340 -0.000 0.000 0.268 178 L C -1.672 175.050 176.870 -0.247 0.000 1.158 178 L CA -1.993 52.693 54.840 -0.258 0.000 0.819 178 L CB 0.764 42.572 42.059 -0.419 0.000 1.112 178 L HN -0.202 nan 8.230 nan 0.000 0.458 179 P HA 0.054 nan 4.420 nan 0.000 0.249 179 P C -1.073 175.995 177.300 -0.386 0.000 1.686 179 P CA 0.039 62.983 63.100 -0.260 0.000 0.873 179 P CB -0.504 31.105 31.700 -0.151 0.000 1.828 180 Y N 0.059 120.225 120.300 -0.222 0.000 2.411 180 Y HA 0.097 4.647 4.550 -0.000 0.000 0.333 180 Y C 1.488 177.272 175.900 -0.194 0.000 1.186 180 Y CA -0.460 57.511 58.100 -0.216 0.000 1.381 180 Y CB 0.354 38.709 38.460 -0.175 0.000 1.273 180 Y HN -0.046 nan 8.280 nan 0.000 0.546 181 L N 2.532 123.704 121.223 -0.084 0.000 2.453 181 L HA 0.250 4.590 4.340 -0.000 0.000 0.261 181 L C 0.233 176.888 176.870 -0.357 0.000 1.179 181 L CA -0.374 54.320 54.840 -0.242 0.000 0.813 181 L CB 0.856 42.704 42.059 -0.352 0.000 1.110 181 L HN 0.670 nan 8.230 nan 0.000 0.466 182 E N 0.009 120.033 120.200 -0.293 0.000 2.232 182 E HA 0.473 4.822 4.350 -0.000 0.000 0.264 182 E C -0.247 176.211 176.600 -0.237 0.000 0.973 182 E CA -0.744 55.524 56.400 -0.220 0.000 0.849 182 E CB 1.722 31.366 29.700 -0.092 0.000 1.198 182 E HN 0.642 nan 8.360 nan 0.000 0.407 183 G N 0.615 109.379 108.800 -0.059 0.000 2.527 183 G HA2 0.436 4.396 3.960 -0.000 0.000 0.248 183 G HA3 0.436 4.396 3.960 -0.000 0.000 0.248 183 G C -0.357 174.536 174.900 -0.011 0.000 1.231 183 G CA -0.005 45.109 45.100 0.023 0.000 0.838 183 G HN 0.605 nan 8.290 nan 0.000 0.570 184 A N 1.748 124.569 122.820 0.001 0.000 2.332 184 A HA 0.460 4.779 4.320 -0.000 0.000 0.258 184 A C 0.603 178.189 177.584 0.004 0.000 1.087 184 A CA -0.636 51.401 52.037 -0.001 0.000 0.802 184 A CB 0.205 19.210 19.000 0.008 0.000 1.042 184 A HN 0.679 nan 8.150 nan 0.000 0.489 185 N N 0.265 118.967 118.700 0.002 0.000 2.412 185 N HA 0.329 5.068 4.740 -0.000 0.000 0.254 185 N C 1.244 176.759 175.510 0.008 0.000 1.232 185 N CA 1.601 54.654 53.050 0.004 0.000 0.880 185 N CB 0.384 38.873 38.487 0.003 0.000 1.076 185 N HN 1.276 nan 8.380 nan 0.000 0.458 186 G N -0.399 108.406 108.800 0.008 0.000 2.189 186 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.267 186 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.267 186 G C 0.380 175.287 174.900 0.013 0.000 0.975 186 G CA 0.463 45.569 45.100 0.010 0.000 0.644 186 G HN 0.959 nan 8.290 nan 0.000 0.537 187 A N 0.592 123.420 122.820 0.014 0.000 2.520 187 A HA 0.485 4.805 4.320 -0.000 0.000 0.235 187 A C 0.866 178.460 177.584 0.017 0.000 1.065 187 A CA 0.808 52.855 52.037 0.018 0.000 0.764 187 A CB 0.152 19.163 19.000 0.019 0.000 1.002 187 A HN 1.101 nan 8.150 nan 0.000 0.502 188 D N 0.704 121.117 120.400 0.023 0.000 2.393 188 D HA 0.085 4.724 4.640 -0.000 0.000 0.246 188 D C 0.193 176.516 176.300 0.038 0.000 1.275 188 D CA -0.130 53.887 54.000 0.029 0.000 0.979 188 D CB 0.250 41.067 40.800 0.027 0.000 1.101 188 D HN 0.399 nan 8.370 nan 0.000 0.505 189 D N -1.060 119.375 120.400 0.059 0.000 2.117 189 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 189 D C 1.529 177.879 176.300 0.082 0.000 0.987 189 D CA 0.852 54.891 54.000 0.066 0.000 0.829 189 D CB -0.380 40.472 40.800 0.087 0.000 0.961 189 D HN 0.578 nan 8.370 nan 0.000 0.460 190 W N 1.442 122.711 121.300 -0.052 0.000 2.353 190 W HA -0.148 4.511 4.660 -0.000 0.000 0.319 190 W C 1.746 178.214 176.519 -0.085 0.000 1.207 190 W CA 0.760 58.059 57.345 -0.076 0.000 1.291 190 W CB -0.371 29.035 29.460 -0.091 0.000 1.159 190 W HN -0.046 nan 8.180 nan 0.000 0.478 191 L N 0.551 121.694 121.223 -0.132 0.000 2.353 191 L HA -0.188 4.152 4.340 -0.000 0.000 0.220 191 L C 2.693 179.476 176.870 -0.146 0.000 1.133 191 L CA 1.261 55.991 54.840 -0.183 0.000 0.798 191 L CB -0.792 41.272 42.059 0.009 0.000 0.922 191 L HN 0.058 nan 8.230 nan 0.000 0.445 192 R N 0.508 120.933 120.500 -0.125 0.000 2.074 192 R HA 0.007 4.347 4.340 -0.000 0.000 0.218 192 R C 2.308 178.528 176.300 -0.133 0.000 1.137 192 R CA 0.585 56.648 56.100 -0.061 0.000 0.998 192 R CB -0.061 30.223 30.300 -0.027 0.000 0.895 192 R HN 0.210 nan 8.270 nan 0.000 0.442 193 L N 1.695 122.793 121.223 -0.208 0.000 2.201 193 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 193 L C 2.512 179.157 176.870 -0.374 0.000 1.105 193 L CA 1.284 55.994 54.840 -0.216 0.000 0.775 193 L CB -0.346 41.633 42.059 -0.133 0.000 0.913 193 L HN 0.295 nan 8.230 nan 0.000 0.440 194 R N -1.035 119.004 120.500 -0.768 0.000 2.293 194 R HA -0.140 4.200 4.340 -0.000 0.000 0.219 194 R C 1.139 177.133 176.300 -0.509 0.000 1.091 194 R CA 1.180 56.755 56.100 -0.875 0.000 1.004 194 R CB -0.462 28.929 30.300 -1.515 0.000 0.865 194 R HN 0.463 nan 8.270 nan 0.000 0.469 195 H N -0.035 118.930 119.070 -0.176 0.000 2.652 195 H HA 0.297 4.853 4.556 -0.000 0.000 0.274 195 H C -0.312 174.946 175.328 -0.117 0.000 1.021 195 H CA -0.177 55.801 56.048 -0.117 0.000 1.187 195 H CB 0.609 30.313 29.762 -0.098 0.000 1.505 195 H HN 0.180 nan 8.280 nan 0.000 0.530 196 E N 0.879 121.058 120.200 -0.035 0.000 2.195 196 E HA 0.490 4.840 4.350 -0.000 0.000 0.271 196 E C 0.072 176.644 176.600 -0.046 0.000 0.923 196 E CA -0.892 55.486 56.400 -0.038 0.000 0.790 196 E CB 2.242 31.925 29.700 -0.029 0.000 1.155 196 E HN 0.170 nan 8.360 nan 0.000 0.402 197 A N 1.671 124.461 122.820 -0.050 0.000 2.555 197 A HA 0.398 4.718 4.320 -0.000 0.000 0.233 197 A C -0.063 177.524 177.584 0.005 0.000 1.060 197 A CA 0.654 52.668 52.037 -0.039 0.000 0.759 197 A CB 0.051 19.027 19.000 -0.040 0.000 0.995 197 A HN 0.562 nan 8.150 nan 0.000 0.506 198 A N 2.846 125.693 122.820 0.044 0.000 2.530 198 A HA 0.620 4.939 4.320 -0.000 0.000 0.279 198 A C -0.139 177.556 177.584 0.185 0.000 1.109 198 A CA -0.421 51.672 52.037 0.094 0.000 0.763 198 A CB 0.739 19.797 19.000 0.097 0.000 1.257 198 A HN 0.718 nan 8.150 nan 0.000 0.424 199 M N 1.631 121.329 119.600 0.164 0.000 2.414 199 M HA 0.167 4.647 4.480 -0.000 0.000 0.357 199 M C 0.379 176.771 176.300 0.154 0.000 1.059 199 M CA 0.522 55.912 55.300 0.151 0.000 0.959 199 M CB -0.080 32.537 32.600 0.029 0.000 1.522 199 M HN 0.885 nan 8.290 nan 0.000 0.551 200 T N -3.776 110.905 114.554 0.211 0.000 2.883 200 T HA 0.554 4.904 4.350 -0.000 0.000 0.296 200 T C -2.582 172.226 174.700 0.180 0.000 1.117 200 T CA -1.360 60.837 62.100 0.162 0.000 1.006 200 T CB 2.715 71.632 68.868 0.083 0.000 1.191 200 T HN -0.283 nan 8.240 nan 0.000 0.508 201 P HA -0.039 nan 4.420 nan 0.000 0.215 201 P C 1.695 179.021 177.300 0.044 0.000 1.153 201 P CA 1.823 64.973 63.100 0.083 0.000 0.853 201 P CB -0.290 31.446 31.700 0.059 0.000 0.788 202 A N -0.037 122.807 122.820 0.040 0.000 1.902 202 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 202 A C 2.339 179.942 177.584 0.033 0.000 1.181 202 A CA 2.209 54.260 52.037 0.024 0.000 0.623 202 A CB -1.629 17.383 19.000 0.020 0.000 0.818 202 A HN 0.191 nan 8.150 nan 0.000 0.443 203 A N 0.142 122.993 122.820 0.052 0.000 1.883 203 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 203 A C 2.039 179.655 177.584 0.054 0.000 1.186 203 A CA 1.742 53.814 52.037 0.059 0.000 0.624 203 A CB -0.555 18.494 19.000 0.082 0.000 0.822 203 A HN 0.425 nan 8.150 nan 0.000 0.444 204 I N -0.020 120.571 120.570 0.035 0.000 2.163 204 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 204 I C 2.973 179.086 176.117 -0.006 0.000 1.085 204 I CA 1.568 62.858 61.300 -0.017 0.000 1.347 204 I CB -1.680 36.252 38.000 -0.113 0.000 1.044 204 I HN 0.376 nan 8.210 nan 0.000 0.408 205 A N 0.563 123.377 122.820 -0.010 0.000 1.940 205 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 205 A C 2.497 180.103 177.584 0.037 0.000 1.176 205 A CA 1.567 53.597 52.037 -0.012 0.000 0.631 205 A CB -0.640 18.345 19.000 -0.024 0.000 0.814 205 A HN 0.318 nan 8.150 nan 0.000 0.446 206 R N -0.563 119.967 120.500 0.050 0.000 2.083 206 R HA -0.093 4.246 4.340 -0.000 0.000 0.237 206 R C 2.092 178.473 176.300 0.135 0.000 1.137 206 R CA 1.688 57.835 56.100 0.079 0.000 0.951 206 R CB -0.506 29.831 30.300 0.062 0.000 0.851 206 R HN 0.574 nan 8.270 nan 0.000 0.434 207 L N -0.100 121.214 121.223 0.151 0.000 2.013 207 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 207 L C 2.680 179.701 176.870 0.252 0.000 1.073 207 L CA 1.435 56.441 54.840 0.277 0.000 0.753 207 L CB -0.813 41.414 42.059 0.280 0.000 0.890 207 L HN 0.302 nan 8.230 nan 0.000 0.432 208 A N 0.295 123.179 122.820 0.107 0.000 1.859 208 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 208 A C 2.177 179.858 177.584 0.161 0.000 1.198 208 A CA 2.109 54.137 52.037 -0.016 0.000 0.629 208 A CB -0.668 18.136 19.000 -0.326 0.000 0.830 208 A HN 0.491 nan 8.150 nan 0.000 0.446 209 E N -0.413 119.957 120.200 0.284 0.000 2.070 209 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 209 E C 2.381 179.134 176.600 0.255 0.000 1.004 209 E CA 1.067 57.685 56.400 0.364 0.000 0.805 209 E CB -0.386 29.451 29.700 0.229 0.000 0.744 209 E HN 0.624 nan 8.360 nan 0.000 0.451 210 A N 1.618 124.582 122.820 0.240 0.000 1.873 210 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 210 A C 2.422 180.132 177.584 0.210 0.000 1.193 210 A CA 2.188 54.390 52.037 0.275 0.000 0.629 210 A CB -0.810 18.443 19.000 0.422 0.000 0.826 210 A HN 0.322 nan 8.150 nan 0.000 0.447 211 A N -1.447 121.439 122.820 0.110 0.000 1.930 211 A HA -0.015 4.304 4.320 -0.000 0.000 0.217 211 A C 2.283 179.939 177.584 0.119 0.000 1.175 211 A CA 2.148 54.080 52.037 -0.176 0.000 0.627 211 A CB -1.134 17.603 19.000 -0.438 0.000 0.815 211 A HN 0.455 nan 8.150 nan 0.000 0.443 212 T N -0.419 114.243 114.554 0.181 0.000 2.821 212 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 212 T C 1.832 176.563 174.700 0.052 0.000 1.046 212 T CA 1.406 63.587 62.100 0.135 0.000 1.139 212 T CB -0.212 68.729 68.868 0.121 0.000 0.871 212 T HN 0.719 nan 8.240 nan 0.000 0.454 213 E N 1.087 121.330 120.200 0.072 0.000 2.085 213 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 213 E C 2.386 178.935 176.600 -0.085 0.000 0.994 213 E CA 1.082 57.496 56.400 0.024 0.000 0.801 213 E CB -0.022 29.710 29.700 0.053 0.000 0.743 213 E HN 0.381 nan 8.360 nan 0.000 0.453 214 R N -1.457 118.927 120.500 -0.194 0.000 2.140 214 R HA -0.055 4.284 4.340 -0.000 0.000 0.213 214 R C 1.036 176.955 176.300 -0.636 0.000 1.059 214 R CA 1.031 56.860 56.100 -0.451 0.000 1.000 214 R CB 0.161 30.082 30.300 -0.630 0.000 0.910 214 R HN 0.238 nan 8.270 nan 0.000 0.455 215 Y N -1.622 118.507 120.300 -0.284 0.000 2.432 215 Y HA 0.380 4.930 4.550 -0.000 0.000 0.252 215 Y C 1.067 176.615 175.900 -0.586 0.000 1.097 215 Y CA 0.120 57.921 58.100 -0.499 0.000 1.250 215 Y CB 1.259 39.218 38.460 -0.836 0.000 1.245 215 Y HN 0.246 nan 8.280 nan 0.000 0.522 216 G N 0.630 109.263 108.800 -0.278 0.000 2.160 216 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.244 216 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.244 216 G C -0.185 174.572 174.900 -0.239 0.000 1.022 216 G CA -0.385 44.597 45.100 -0.196 0.000 0.741 216 G HN 0.131 nan 8.290 nan 0.000 0.508 217 F N -0.296 119.549 119.950 -0.175 0.000 2.595 217 F HA 0.389 4.916 4.527 -0.000 0.000 0.359 217 F C 1.406 176.954 175.800 -0.419 0.000 1.147 217 F CA 0.793 58.569 58.000 -0.373 0.000 1.341 217 F CB 0.992 39.601 39.000 -0.652 0.000 1.104 217 F HN 0.225 nan 8.300 nan 0.000 0.603 218 A N 1.075 123.780 122.820 -0.192 0.000 2.508 218 A HA 0.324 4.644 4.320 -0.000 0.000 0.250 218 A C -0.662 176.762 177.584 -0.266 0.000 1.208 218 A CA -0.158 51.782 52.037 -0.161 0.000 0.960 218 A CB -0.263 18.735 19.000 -0.005 0.000 1.099 218 A HN 0.699 nan 8.150 nan 0.000 0.542 219 D N -1.350 118.713 120.400 -0.561 0.000 2.780 219 D HA 0.656 5.296 4.640 -0.000 0.000 0.242 219 D C -1.107 174.662 176.300 -0.885 0.000 1.135 219 D CA -0.005 53.710 54.000 -0.473 0.000 0.859 219 D CB 1.602 42.245 40.800 -0.261 0.000 1.530 219 D HN 0.143 nan 8.370 nan 0.000 0.493 220 F N 0.682 120.492 119.950 -0.234 0.000 2.576 220 F HA 0.530 5.057 4.527 -0.000 0.000 0.313 220 F C 0.075 175.702 175.800 -0.289 0.000 1.078 220 F CA -1.103 56.726 58.000 -0.285 0.000 0.921 220 F CB 2.104 40.962 39.000 -0.238 0.000 1.232 220 F HN -0.008 nan 8.300 nan 0.000 0.459 221 K N 2.241 122.560 120.400 -0.136 0.000 2.371 221 K HA 0.743 5.062 4.320 -0.000 0.000 0.251 221 K C -2.175 174.343 176.600 -0.138 0.000 0.934 221 K CA -0.871 55.278 56.287 -0.229 0.000 0.798 221 K CB 2.211 34.441 32.500 -0.450 0.000 1.204 221 K HN 0.645 nan 8.250 nan 0.000 0.427 222 L N 3.725 124.857 121.223 -0.152 0.000 2.305 222 L HA 0.441 4.781 4.340 -0.000 0.000 0.284 222 L C -0.975 175.784 176.870 -0.186 0.000 1.013 222 L CA -0.480 54.260 54.840 -0.166 0.000 0.819 222 L CB 1.183 43.141 42.059 -0.168 0.000 1.227 222 L HN 0.572 nan 8.230 nan 0.000 0.417 223 K N 3.951 124.157 120.400 -0.323 0.000 2.382 223 K HA 0.528 4.847 4.320 -0.000 0.000 0.286 223 K C 0.110 176.625 176.600 -0.142 0.000 1.062 223 K CA 0.511 56.593 56.287 -0.343 0.000 1.000 223 K CB 0.246 32.142 32.500 -1.006 0.000 0.954 223 K HN 0.780 nan 8.250 nan 0.000 0.470 224 G N 1.760 110.524 108.800 -0.060 0.000 2.702 224 G HA2 0.484 4.443 3.960 -0.000 0.000 0.254 224 G HA3 0.484 4.443 3.960 -0.000 0.000 0.254 224 G C 0.276 175.205 174.900 0.049 0.000 1.380 224 G CA -0.536 44.594 45.100 0.051 0.000 1.042 224 G HN 1.130 nan 8.290 nan 0.000 0.557 225 G N -2.478 106.364 108.800 0.069 0.000 2.176 225 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.252 225 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.252 225 G C 0.530 175.506 174.900 0.128 0.000 1.024 225 G CA 0.680 45.819 45.100 0.065 0.000 0.755 225 G HN 1.066 nan 8.290 nan 0.000 0.507 226 V N -0.187 119.810 119.914 0.138 0.000 3.001 226 V HA 0.422 4.542 4.120 -0.000 0.000 0.228 226 V C 1.733 177.826 176.094 -0.001 0.000 1.204 226 V CA 1.224 63.570 62.300 0.077 0.000 1.247 226 V CB -0.135 31.729 31.823 0.069 0.000 1.093 226 V HN 0.347 nan 8.190 nan 0.000 0.504 227 M N 0.795 120.346 119.600 -0.082 0.000 2.267 227 M HA 0.402 4.882 4.480 -0.000 0.000 0.303 227 M C -2.489 173.841 176.300 0.049 0.000 1.164 227 M CA -2.368 52.874 55.300 -0.096 0.000 1.060 227 M CB -0.571 31.887 32.600 -0.236 0.000 1.455 227 M HN -0.013 nan 8.290 nan 0.000 0.483 228 P HA 0.065 nan 4.420 nan 0.000 0.268 228 P C 0.877 178.224 177.300 0.078 0.000 1.208 228 P CA 0.169 63.300 63.100 0.052 0.000 0.777 228 P CB 0.208 31.910 31.700 0.002 0.000 0.875 229 G N 2.161 110.988 108.800 0.044 0.000 2.513 229 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.219 229 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.219 229 G C 1.550 176.409 174.900 -0.067 0.000 1.160 229 G CA 1.070 46.146 45.100 -0.041 0.000 0.767 229 G HN 0.571 nan 8.290 nan 0.000 0.571 230 A N 0.770 123.522 122.820 -0.113 0.000 1.917 230 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 230 A C 2.190 179.774 177.584 -0.000 0.000 1.182 230 A CA 2.102 54.098 52.037 -0.069 0.000 0.633 230 A CB -0.451 18.507 19.000 -0.069 0.000 0.819 230 A HN 0.504 nan 8.150 nan 0.000 0.448 231 E N -0.476 119.739 120.200 0.025 0.000 2.208 231 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 231 E C 1.968 178.645 176.600 0.128 0.000 0.988 231 E CA 1.041 57.474 56.400 0.056 0.000 0.828 231 E CB -0.110 29.607 29.700 0.028 0.000 0.763 231 E HN 0.741 nan 8.360 nan 0.000 0.478 232 E N 0.348 120.652 120.200 0.172 0.000 2.072 232 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 232 E C 2.017 178.716 176.600 0.164 0.000 0.982 232 E CA 0.754 57.307 56.400 0.254 0.000 0.803 232 E CB -0.023 29.874 29.700 0.327 0.000 0.755 232 E HN 0.234 nan 8.360 nan 0.000 0.453 233 M N 0.962 120.635 119.600 0.122 0.000 2.279 233 M HA -0.123 4.356 4.480 -0.000 0.000 0.264 233 M C 1.818 178.141 176.300 0.039 0.000 1.062 233 M CA 1.314 56.653 55.300 0.066 0.000 1.099 233 M CB -0.769 31.848 32.600 0.028 0.000 1.394 233 M HN 0.129 nan 8.290 nan 0.000 0.426 234 E N 0.433 120.662 120.200 0.049 0.000 2.051 234 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 234 E C 2.137 178.760 176.600 0.039 0.000 0.991 234 E CA 1.395 57.818 56.400 0.039 0.000 0.799 234 E CB -0.144 29.583 29.700 0.046 0.000 0.748 234 E HN 0.517 nan 8.360 nan 0.000 0.449 235 A N 1.495 124.356 122.820 0.068 0.000 1.902 235 A HA -0.170 4.149 4.320 -0.000 0.000 0.217 235 A C 2.151 179.728 177.584 -0.012 0.000 1.181 235 A CA 1.027 53.088 52.037 0.040 0.000 0.623 235 A CB -0.393 18.644 19.000 0.061 0.000 0.818 235 A HN 0.110 nan 8.150 nan 0.000 0.443 236 I N 0.023 120.591 120.570 -0.004 0.000 2.226 236 I HA -0.229 3.940 4.170 -0.000 0.000 0.245 236 I C 2.940 179.034 176.117 -0.038 0.000 1.100 236 I CA 1.401 62.682 61.300 -0.032 0.000 1.374 236 I CB -1.650 36.338 38.000 -0.019 0.000 1.057 236 I HN 0.365 nan 8.210 nan 0.000 0.413 237 A N 0.995 123.801 122.820 -0.023 0.000 1.902 237 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 237 A C 2.603 180.171 177.584 -0.027 0.000 1.181 237 A CA 2.109 54.133 52.037 -0.023 0.000 0.623 237 A CB -0.841 18.155 19.000 -0.007 0.000 0.818 237 A HN 0.413 nan 8.150 nan 0.000 0.443 238 A N 0.009 122.814 122.820 -0.024 0.000 1.883 238 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 238 A C 2.129 179.678 177.584 -0.057 0.000 1.186 238 A CA 1.721 53.737 52.037 -0.035 0.000 0.624 238 A CB -0.665 18.322 19.000 -0.021 0.000 0.822 238 A HN 0.527 nan 8.150 nan 0.000 0.444 239 I N -1.085 119.443 120.570 -0.069 0.000 2.252 239 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 239 I C 2.512 178.605 176.117 -0.041 0.000 1.102 239 I CA 1.212 62.453 61.300 -0.098 0.000 1.385 239 I CB -0.229 37.658 38.000 -0.189 0.000 1.064 239 I HN 0.147 nan 8.210 nan 0.000 0.414 240 K N 1.089 121.468 120.400 -0.035 0.000 2.097 240 K HA -0.029 4.291 4.320 -0.000 0.000 0.205 240 K C 2.187 178.767 176.600 -0.033 0.000 1.050 240 K CA 1.353 57.635 56.287 -0.008 0.000 0.938 240 K CB -0.286 32.204 32.500 -0.017 0.000 0.718 240 K HN 0.286 nan 8.250 nan 0.000 0.442 241 A N 1.166 123.953 122.820 -0.055 0.000 1.908 241 A HA -0.210 4.109 4.320 -0.000 0.000 0.218 241 A C 2.187 179.684 177.584 -0.145 0.000 1.181 241 A CA 1.960 53.950 52.037 -0.078 0.000 0.627 241 A CB -0.344 18.617 19.000 -0.066 0.000 0.818 241 A HN 0.229 nan 8.150 nan 0.000 0.445 242 R N -1.438 118.936 120.500 -0.211 0.000 2.093 242 R HA 0.072 4.412 4.340 -0.000 0.000 0.224 242 R C -0.545 175.358 176.300 -0.662 0.000 1.101 242 R CA 0.999 56.820 56.100 -0.465 0.000 0.979 242 R CB -0.316 29.629 30.300 -0.591 0.000 0.877 242 R HN 0.360 nan 8.270 nan 0.000 0.441 243 F N 1.472 121.370 119.950 -0.087 0.000 2.449 243 F HA 0.413 4.940 4.527 -0.000 0.000 0.329 243 F C -1.683 174.093 175.800 -0.040 0.000 1.245 243 F CA -2.435 55.550 58.000 -0.024 0.000 1.193 243 F CB 1.903 40.926 39.000 0.037 0.000 1.425 243 F HN 0.023 nan 8.300 nan 0.000 0.544 244 P HA -0.162 nan 4.420 nan 0.000 0.226 244 P C 0.569 177.771 177.300 -0.164 0.000 1.146 244 P CA 1.629 64.639 63.100 -0.150 0.000 0.773 244 P CB -0.009 31.503 31.700 -0.314 0.000 0.772 245 H N -1.204 117.958 119.070 0.153 0.000 2.586 245 H HA 0.412 4.968 4.556 -0.000 0.000 0.273 245 H C 0.965 176.382 175.328 0.148 0.000 0.997 245 H CA -0.437 55.690 56.048 0.132 0.000 1.177 245 H CB 0.244 30.077 29.762 0.118 0.000 1.471 245 H HN 0.104 nan 8.280 nan 0.000 0.538 246 A N 1.426 124.414 122.820 0.281 0.000 2.407 246 A HA 0.249 4.568 4.320 -0.000 0.000 0.248 246 A C 0.200 177.881 177.584 0.161 0.000 1.082 246 A CA -0.378 51.814 52.037 0.258 0.000 0.785 246 A CB 0.284 19.531 19.000 0.412 0.000 1.020 246 A HN 0.417 nan 8.150 nan 0.000 0.489 247 R N 0.883 121.444 120.500 0.102 0.000 2.234 247 R HA 0.444 4.783 4.340 -0.000 0.000 0.324 247 R C -1.118 175.184 176.300 0.004 0.000 1.054 247 R CA -0.242 55.880 56.100 0.035 0.000 0.912 247 R CB 0.898 31.206 30.300 0.013 0.000 1.030 247 R HN 0.445 nan 8.270 nan 0.000 0.455 248 V N 2.080 121.970 119.914 -0.041 0.000 2.555 248 V HA 0.478 4.598 4.120 -0.000 0.000 0.302 248 V C 0.173 176.122 176.094 -0.241 0.000 1.038 248 V CA -0.682 61.570 62.300 -0.079 0.000 0.887 248 V CB 1.951 33.757 31.823 -0.028 0.000 0.991 248 V HN 0.782 nan 8.190 nan 0.000 0.434 249 T N 3.700 118.064 114.554 -0.316 0.000 2.896 249 T HA 0.778 5.128 4.350 -0.000 0.000 0.297 249 T C -1.774 172.769 174.700 -0.263 0.000 1.108 249 T CA -0.415 61.419 62.100 -0.443 0.000 1.004 249 T CB 1.668 69.987 68.868 -0.915 0.000 1.159 249 T HN 0.530 nan 8.240 nan 0.000 0.499 250 L N 2.493 123.597 121.223 -0.200 0.000 2.354 250 L HA 0.838 5.177 4.340 -0.000 0.000 0.264 250 L C -1.589 175.181 176.870 -0.166 0.000 1.008 250 L CA -0.334 54.427 54.840 -0.130 0.000 0.819 250 L CB 2.262 44.307 42.059 -0.022 0.000 1.339 250 L HN 0.709 nan 8.230 nan 0.000 0.420 251 D N 3.847 124.141 120.400 -0.176 0.000 2.346 251 D HA 0.464 5.104 4.640 -0.000 0.000 0.255 251 D C -2.414 173.737 176.300 -0.247 0.000 1.276 251 D CA -1.659 52.217 54.000 -0.206 0.000 0.941 251 D CB 1.897 42.614 40.800 -0.140 0.000 1.199 251 D HN 0.258 nan 8.370 nan 0.000 0.537 252 P HA 0.202 nan 4.420 nan 0.000 0.255 252 P C -0.531 176.573 177.300 -0.328 0.000 1.301 252 P CA -0.072 62.732 63.100 -0.494 0.000 0.817 252 P CB -0.282 30.684 31.700 -1.223 0.000 1.259 253 N N -0.626 117.937 118.700 -0.229 0.000 2.721 253 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 253 N C 0.869 176.297 175.510 -0.136 0.000 1.072 253 N CA 0.725 53.698 53.050 -0.128 0.000 0.710 253 N CB -1.482 36.990 38.487 -0.024 0.000 0.993 253 N HN 0.318 nan 8.380 nan 0.000 0.547 254 G N -1.950 106.714 108.800 -0.226 0.000 2.168 254 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 254 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 254 G C 1.078 175.892 174.900 -0.144 0.000 0.997 254 G CA 0.720 45.713 45.100 -0.179 0.000 0.708 254 G HN 0.880 nan 8.290 nan 0.000 0.520 255 A N -0.906 121.784 122.820 -0.217 0.000 1.969 255 A HA 0.259 4.579 4.320 -0.000 0.000 0.218 255 A C 1.226 178.858 177.584 0.079 0.000 1.169 255 A CA 1.249 53.233 52.037 -0.089 0.000 0.635 255 A CB -0.210 18.742 19.000 -0.080 0.000 0.810 255 A HN 0.634 nan 8.150 nan 0.000 0.445 256 W N 1.018 122.312 121.300 -0.011 0.000 2.251 256 W HA 0.485 5.145 4.660 -0.000 0.000 0.329 256 W C 0.870 177.389 176.519 -0.001 0.000 1.234 256 W CA -0.983 56.360 57.345 -0.004 0.000 1.228 256 W CB -0.097 29.364 29.460 0.002 0.000 1.135 256 W HN 0.315 nan 8.180 nan 0.000 0.576 257 S N 1.625 117.467 115.700 0.237 0.000 2.589 257 S HA 0.010 4.480 4.470 -0.000 0.000 0.265 257 S C 0.985 175.690 174.600 0.175 0.000 1.342 257 S CA -0.517 57.773 58.200 0.151 0.000 1.005 257 S CB 0.785 64.044 63.200 0.098 0.000 0.909 257 S HN 0.457 nan 8.310 nan 0.000 0.555 258 L N 1.688 122.993 121.223 0.137 0.000 2.042 258 L HA -0.130 4.209 4.340 -0.000 0.000 0.210 258 L C 2.041 179.004 176.870 0.155 0.000 1.076 258 L CA 2.001 56.938 54.840 0.161 0.000 0.749 258 L CB -1.371 40.752 42.059 0.107 0.000 0.893 258 L HN 0.752 nan 8.230 nan 0.000 0.432 259 N N 0.099 118.855 118.700 0.093 0.000 2.104 259 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 259 N C 1.753 177.288 175.510 0.042 0.000 1.024 259 N CA 1.845 54.928 53.050 0.055 0.000 0.853 259 N CB -0.254 38.250 38.487 0.028 0.000 1.008 259 N HN 0.583 nan 8.380 nan 0.000 0.424 260 E N 0.756 120.979 120.200 0.039 0.000 2.051 260 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 260 E C 2.027 178.585 176.600 -0.069 0.000 0.991 260 E CA 1.076 57.438 56.400 -0.064 0.000 0.799 260 E CB -0.135 29.504 29.700 -0.102 0.000 0.748 260 E HN 0.345 nan 8.360 nan 0.000 0.449 261 A N 1.283 124.210 122.820 0.178 0.000 1.908 261 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 261 A C 2.188 180.009 177.584 0.396 0.000 1.181 261 A CA 1.284 53.583 52.037 0.438 0.000 0.627 261 A CB -0.648 18.684 19.000 0.554 0.000 0.818 261 A HN 0.150 nan 8.150 nan 0.000 0.445 262 I N -0.504 120.219 120.570 0.256 0.000 2.202 262 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 262 I C 2.964 179.090 176.117 0.015 0.000 1.091 262 I CA 1.011 62.366 61.300 0.091 0.000 1.368 262 I CB -0.374 37.642 38.000 0.027 0.000 1.058 262 I HN 0.347 nan 8.210 nan 0.000 0.410 263 A N 0.757 123.571 122.820 -0.011 0.000 1.972 263 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 263 A C 2.283 179.822 177.584 -0.077 0.000 1.169 263 A CA 1.406 53.413 52.037 -0.051 0.000 0.635 263 A CB -0.723 18.236 19.000 -0.069 0.000 0.810 263 A HN 0.396 nan 8.150 nan 0.000 0.446 264 L N -1.629 119.522 121.223 -0.120 0.000 2.179 264 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 264 L C 2.166 179.017 176.870 -0.032 0.000 1.096 264 L CA 0.864 55.602 54.840 -0.169 0.000 0.779 264 L CB -0.181 41.594 42.059 -0.474 0.000 0.922 264 L HN 0.487 nan 8.230 nan 0.000 0.443 265 C N -1.559 117.780 119.300 0.064 0.000 2.935 265 C HA 0.071 4.530 4.460 -0.000 0.000 0.308 265 C C 1.364 176.372 174.990 0.031 0.000 1.263 265 C CA -0.760 58.333 59.018 0.124 0.000 1.738 265 C CB -0.141 27.816 27.740 0.362 0.000 2.237 265 C HN 0.203 nan 8.230 nan 0.000 0.600 266 K N 1.104 121.491 120.400 -0.022 0.000 2.472 266 K HA 0.311 4.631 4.320 -0.000 0.000 0.280 266 K C 1.196 177.794 176.600 -0.003 0.000 1.028 266 K CA 1.200 57.458 56.287 -0.048 0.000 1.045 266 K CB -0.105 32.358 32.500 -0.061 0.000 0.902 266 K HN 0.524 nan 8.250 nan 0.000 0.478 267 G N 3.135 111.942 108.800 0.011 0.000 2.162 267 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 267 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 267 G C 0.302 175.281 174.900 0.131 0.000 0.976 267 G CA 0.171 45.309 45.100 0.063 0.000 0.655 267 G HN 0.642 nan 8.290 nan 0.000 0.533 268 Q N 0.095 119.926 119.800 0.052 0.000 2.212 268 Q HA 0.319 4.659 4.340 -0.000 0.000 0.213 268 Q C 2.085 178.016 176.000 -0.116 0.000 0.874 268 Q CA 0.621 56.385 55.803 -0.064 0.000 0.965 268 Q CB 0.330 29.035 28.738 -0.056 0.000 1.074 268 Q HN 0.579 nan 8.270 nan 0.000 0.473 269 G N 0.734 109.550 108.800 0.028 0.000 2.534 269 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 269 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 269 G C 1.160 176.088 174.900 0.047 0.000 1.128 269 G CA 0.462 45.587 45.100 0.040 0.000 0.784 269 G HN 0.518 nan 8.290 nan 0.000 0.542 270 H N -0.874 118.211 119.070 0.024 0.000 2.548 270 H HA 0.173 4.729 4.556 -0.000 0.000 0.268 270 H C 1.762 177.100 175.328 0.018 0.000 0.975 270 H CA 0.197 56.257 56.048 0.021 0.000 1.195 270 H CB 0.012 29.782 29.762 0.012 0.000 1.397 270 H HN 0.202 nan 8.280 nan 0.000 0.572 271 L N 1.402 122.362 121.223 -0.438 0.000 2.269 271 L HA 0.107 4.447 4.340 -0.000 0.000 0.200 271 L C 0.853 177.643 176.870 -0.132 0.000 1.069 271 L CA 0.566 55.232 54.840 -0.289 0.000 0.804 271 L CB 0.028 41.872 42.059 -0.358 0.000 0.987 271 L HN 0.210 nan 8.230 nan 0.000 0.468 272 V N -2.735 117.114 119.914 -0.108 0.000 2.384 272 V HA 0.716 4.836 4.120 -0.000 0.000 0.287 272 V C 1.086 177.151 176.094 -0.048 0.000 1.020 272 V CA -0.423 61.827 62.300 -0.082 0.000 0.850 272 V CB 0.700 32.491 31.823 -0.052 0.000 0.987 272 V HN 0.168 nan 8.190 nan 0.000 0.436 273 A N 4.267 127.036 122.820 -0.086 0.000 2.019 273 A HA 0.237 4.557 4.320 -0.000 0.000 0.219 273 A C 0.772 178.426 177.584 0.116 0.000 1.164 273 A CA 1.995 54.033 52.037 0.001 0.000 0.644 273 A CB -0.456 18.542 19.000 -0.004 0.000 0.805 273 A HN 1.779 nan 8.150 nan 0.000 0.449 274 Y N -5.601 114.708 120.300 0.014 0.000 2.662 274 Y HA 0.615 5.165 4.550 -0.000 0.000 0.334 274 Y C -0.731 175.177 175.900 0.015 0.000 1.185 274 Y CA -1.594 56.521 58.100 0.024 0.000 1.074 274 Y CB 0.309 38.767 38.460 -0.003 0.000 1.330 274 Y HN 0.232 nan 8.280 nan 0.000 0.458 275 A N 1.798 124.770 122.820 0.254 0.000 2.292 275 A HA 0.591 4.911 4.320 -0.000 0.000 0.319 275 A C -0.722 176.915 177.584 0.087 0.000 1.206 275 A CA -0.583 51.519 52.037 0.107 0.000 0.835 275 A CB 0.922 19.976 19.000 0.090 0.000 1.164 275 A HN 0.774 nan 8.150 nan 0.000 0.505 276 E N 2.792 122.993 120.200 0.003 0.000 2.134 276 E HA 0.281 4.631 4.350 -0.000 0.000 0.278 276 E C -0.885 175.602 176.600 -0.189 0.000 0.959 276 E CA -0.576 55.797 56.400 -0.046 0.000 0.783 276 E CB 0.374 30.070 29.700 -0.007 0.000 1.095 276 E HN 0.637 nan 8.360 nan 0.000 0.399 277 D N 5.582 125.862 120.400 -0.200 0.000 2.829 277 D HA -0.157 4.482 4.640 -0.000 0.000 0.219 277 D C -1.688 174.399 176.300 -0.356 0.000 1.239 277 D CA 0.329 54.184 54.000 -0.240 0.000 0.685 277 D CB -0.306 40.378 40.800 -0.193 0.000 0.950 277 D HN 0.520 nan 8.370 nan 0.000 0.398 278 P HA -0.109 nan 4.420 nan 0.000 0.218 278 P C 0.815 177.905 177.300 -0.350 0.000 1.149 278 P CA 1.058 63.834 63.100 -0.540 0.000 0.817 278 P CB 0.137 31.495 31.700 -0.569 0.000 0.785 279 C N -3.731 115.424 119.300 -0.242 0.000 3.170 279 C HA 0.896 5.356 4.460 -0.000 0.000 0.319 279 C C 0.387 175.337 174.990 -0.065 0.000 1.260 279 C CA -0.537 58.433 59.018 -0.081 0.000 1.374 279 C CB 1.578 29.337 27.740 0.032 0.000 1.739 279 C HN 0.285 nan 8.230 nan 0.000 0.479 280 G N 0.233 109.023 108.800 -0.016 0.000 3.119 280 G HA2 0.875 4.835 3.960 -0.000 0.000 0.206 280 G HA3 0.875 4.835 3.960 -0.000 0.000 0.206 280 G C -3.173 171.751 174.900 0.040 0.000 1.313 280 G CA -1.397 43.703 45.100 0.002 0.000 1.010 280 G HN 0.662 nan 8.290 nan 0.000 0.578 281 P HA 0.237 nan 4.420 nan 0.000 0.268 281 P C -0.657 176.692 177.300 0.082 0.000 1.205 281 P CA 0.241 63.387 63.100 0.077 0.000 0.771 281 P CB 0.757 32.492 31.700 0.059 0.000 0.858 282 E N 0.760 121.034 120.200 0.122 0.000 2.401 282 E HA 0.550 4.899 4.350 -0.000 0.000 0.280 282 E C -0.986 175.722 176.600 0.180 0.000 1.039 282 E CA -1.287 55.184 56.400 0.117 0.000 0.814 282 E CB 0.783 30.543 29.700 0.100 0.000 1.275 282 E HN 0.338 nan 8.360 nan 0.000 0.448 283 A N 0.829 123.726 122.820 0.129 0.000 2.748 283 A HA -0.100 4.219 4.320 -0.000 0.000 0.297 283 A C 1.385 178.996 177.584 0.045 0.000 1.508 283 A CA 1.965 54.080 52.037 0.131 0.000 0.799 283 A CB -2.448 16.677 19.000 0.208 0.000 1.011 283 A HN 2.278 nan 8.150 nan 0.000 0.500 284 G N -3.870 104.910 108.800 -0.032 0.000 2.199 284 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.254 284 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.254 284 G C 0.037 174.760 174.900 -0.296 0.000 0.982 284 G CA 0.721 45.708 45.100 -0.189 0.000 0.632 284 G HN 1.463 nan 8.290 nan 0.000 0.529 285 Y N 1.975 122.284 120.300 0.015 0.000 2.310 285 Y HA 0.564 5.113 4.550 -0.000 0.000 0.326 285 Y C 1.211 177.121 175.900 0.015 0.000 1.151 285 Y CA -0.142 57.968 58.100 0.017 0.000 1.195 285 Y CB 1.413 39.889 38.460 0.027 0.000 1.210 285 Y HN 0.353 nan 8.280 nan 0.000 0.483 286 S N 0.536 116.328 115.700 0.153 0.000 2.614 286 S HA 0.228 4.698 4.470 -0.000 0.000 0.265 286 S C 1.466 176.127 174.600 0.103 0.000 1.303 286 S CA -0.317 57.937 58.200 0.090 0.000 1.000 286 S CB 1.098 64.328 63.200 0.050 0.000 0.935 286 S HN 0.966 nan 8.310 nan 0.000 0.551 287 G N 0.805 109.647 108.800 0.069 0.000 2.485 287 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.221 287 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.221 287 G C 1.549 176.485 174.900 0.060 0.000 1.115 287 G CA 0.541 45.674 45.100 0.054 0.000 0.751 287 G HN 0.786 nan 8.290 nan 0.000 0.567 288 R N -0.012 120.532 120.500 0.074 0.000 2.075 288 R HA 0.062 4.402 4.340 -0.000 0.000 0.226 288 R C 2.555 178.914 176.300 0.099 0.000 1.114 288 R CA 1.216 57.367 56.100 0.086 0.000 0.972 288 R CB -0.157 30.205 30.300 0.103 0.000 0.869 288 R HN 0.432 nan 8.270 nan 0.000 0.437 289 E N -0.062 120.205 120.200 0.113 0.000 2.106 289 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 289 E C 1.950 178.595 176.600 0.075 0.000 0.984 289 E CA 1.150 57.624 56.400 0.123 0.000 0.806 289 E CB 0.101 29.929 29.700 0.212 0.000 0.750 289 E HN 0.068 nan 8.360 nan 0.000 0.458 290 V N 1.253 121.213 119.914 0.078 0.000 2.307 290 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 290 V C 2.281 178.431 176.094 0.094 0.000 1.045 290 V CA 1.409 63.739 62.300 0.051 0.000 1.024 290 V CB -0.310 31.553 31.823 0.066 0.000 0.651 290 V HN 0.352 nan 8.190 nan 0.000 0.449 291 M N -0.419 119.237 119.600 0.092 0.000 2.175 291 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 291 M C 2.429 178.838 176.300 0.181 0.000 1.063 291 M CA 1.940 57.313 55.300 0.121 0.000 1.119 291 M CB -1.084 31.546 32.600 0.050 0.000 1.377 291 M HN 0.432 nan 8.290 nan 0.000 0.415 292 A N 0.503 123.403 122.820 0.134 0.000 1.908 292 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 292 A C 2.012 179.661 177.584 0.108 0.000 1.181 292 A CA 1.865 53.979 52.037 0.129 0.000 0.627 292 A CB -0.672 18.398 19.000 0.116 0.000 0.818 292 A HN 0.570 nan 8.150 nan 0.000 0.445 293 E N -1.477 118.774 120.200 0.084 0.000 2.072 293 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 293 E C 1.750 178.398 176.600 0.079 0.000 0.985 293 E CA 1.072 57.499 56.400 0.045 0.000 0.801 293 E CB -0.302 29.389 29.700 -0.015 0.000 0.750 293 E HN 0.684 nan 8.360 nan 0.000 0.452 294 F N 2.434 122.391 119.950 0.012 0.000 2.087 294 F HA -0.302 4.225 4.527 -0.000 0.000 0.299 294 F C 1.990 177.810 175.800 0.034 0.000 1.100 294 F CA 1.778 59.797 58.000 0.032 0.000 1.226 294 F CB 0.025 39.056 39.000 0.052 0.000 0.983 294 F HN -0.190 nan 8.300 nan 0.000 0.479 295 K N -0.085 120.408 120.400 0.155 0.000 2.009 295 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 295 K C 2.276 178.836 176.600 -0.067 0.000 1.049 295 K CA 1.813 58.125 56.287 0.041 0.000 0.929 295 K CB -0.290 32.294 32.500 0.141 0.000 0.714 295 K HN 0.272 nan 8.250 nan 0.000 0.440 296 R N 0.134 120.614 120.500 -0.034 0.000 2.091 296 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 296 R C 2.295 178.540 176.300 -0.093 0.000 1.136 296 R CA 1.465 57.534 56.100 -0.051 0.000 0.959 296 R CB -0.331 29.951 30.300 -0.031 0.000 0.856 296 R HN 0.210 nan 8.270 nan 0.000 0.437 297 A N 0.008 122.749 122.820 -0.132 0.000 2.066 297 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 297 A C 2.027 179.488 177.584 -0.205 0.000 1.157 297 A CA 1.821 53.767 52.037 -0.151 0.000 0.670 297 A CB -0.226 18.692 19.000 -0.136 0.000 0.804 297 A HN 0.524 nan 8.150 nan 0.000 0.453 298 T N -6.472 107.892 114.554 -0.317 0.000 2.964 298 T HA 0.405 4.755 4.350 -0.000 0.000 0.249 298 T C 1.471 176.060 174.700 -0.185 0.000 1.000 298 T CA 1.146 63.056 62.100 -0.316 0.000 0.992 298 T CB 0.047 68.551 68.868 -0.607 0.000 1.087 298 T HN 1.651 nan 8.240 nan 0.000 0.489 299 G N 2.010 110.718 108.800 -0.153 0.000 2.166 299 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.260 299 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.260 299 G C 0.034 174.925 174.900 -0.014 0.000 0.986 299 G CA 0.275 45.339 45.100 -0.059 0.000 0.683 299 G HN 0.615 nan 8.290 nan 0.000 0.527 300 I N 1.347 121.902 120.570 -0.025 0.000 2.342 300 I HA 0.266 4.436 4.170 -0.000 0.000 0.291 300 I C -1.800 174.441 176.117 0.205 0.000 1.010 300 I CA -2.476 58.887 61.300 0.105 0.000 1.308 300 I CB 0.926 39.028 38.000 0.170 0.000 1.400 300 I HN -0.143 nan 8.210 nan 0.000 0.488 301 P HA 0.091 nan 4.420 nan 0.000 0.268 301 P C -0.322 177.109 177.300 0.219 0.000 1.205 301 P CA 0.059 63.265 63.100 0.176 0.000 0.771 301 P CB 0.365 32.156 31.700 0.152 0.000 0.858 302 T N -0.474 114.167 114.554 0.145 0.000 2.885 302 T HA 0.817 5.166 4.350 -0.000 0.000 0.285 302 T C -0.530 174.142 174.700 -0.046 0.000 1.019 302 T CA -0.890 61.264 62.100 0.090 0.000 1.010 302 T CB 1.801 70.719 68.868 0.085 0.000 1.022 302 T HN 0.395 nan 8.240 nan 0.000 0.466 303 A N 1.356 124.124 122.820 -0.086 0.000 2.386 303 A HA 0.937 5.257 4.320 -0.000 0.000 0.308 303 A C -0.065 177.436 177.584 -0.139 0.000 1.128 303 A CA -0.915 51.001 52.037 -0.202 0.000 0.789 303 A CB 1.964 20.746 19.000 -0.365 0.000 1.325 303 A HN 1.075 nan 8.150 nan 0.000 0.437 304 T N 0.033 114.493 114.554 -0.157 0.000 2.889 304 T HA 0.484 4.833 4.350 -0.000 0.000 0.315 304 T C -1.024 173.567 174.700 -0.183 0.000 1.291 304 T CA -0.347 61.666 62.100 -0.144 0.000 1.028 304 T CB 0.856 69.666 68.868 -0.096 0.000 1.235 304 T HN 0.845 nan 8.240 nan 0.000 0.491 305 N N 3.253 121.807 118.700 -0.244 0.000 2.377 305 N HA 0.187 4.926 4.740 -0.000 0.000 0.259 305 N C 0.372 175.724 175.510 -0.263 0.000 1.332 305 N CA -0.278 52.545 53.050 -0.378 0.000 0.877 305 N CB 0.571 38.482 38.487 -0.960 0.000 1.299 305 N HN 0.515 nan 8.380 nan 0.000 0.501 306 M N 0.012 119.524 119.600 -0.148 0.000 2.279 306 M HA 0.323 4.803 4.480 -0.000 0.000 0.278 306 M C 1.493 177.770 176.300 -0.040 0.000 1.142 306 M CA 0.321 55.564 55.300 -0.095 0.000 1.119 306 M CB 0.631 33.178 32.600 -0.088 0.000 1.741 306 M HN 0.098 nan 8.290 nan 0.000 0.601 307 I N -2.452 118.103 120.570 -0.025 0.000 4.082 307 I HA 0.511 4.681 4.170 -0.000 0.000 0.337 307 I C 0.480 176.626 176.117 0.047 0.000 1.352 307 I CA -0.089 61.219 61.300 0.014 0.000 1.097 307 I CB 0.499 38.507 38.000 0.013 0.000 1.048 307 I HN 0.024 nan 8.210 nan 0.000 0.393 308 A N 1.711 124.562 122.820 0.053 0.000 3.410 308 A HA 0.432 4.752 4.320 -0.000 0.000 0.276 308 A C 0.760 178.472 177.584 0.214 0.000 0.995 308 A CA 0.108 52.210 52.037 0.109 0.000 0.934 308 A CB -0.629 18.416 19.000 0.074 0.000 1.191 308 A HN 0.379 nan 8.150 nan 0.000 0.511 309 T N -2.955 111.679 114.554 0.134 0.000 3.069 309 T HA 0.348 4.698 4.350 -0.000 0.000 0.252 309 T C 0.171 174.700 174.700 -0.284 0.000 1.053 309 T CA 0.686 62.845 62.100 0.099 0.000 0.964 309 T CB -0.343 68.519 68.868 -0.010 0.000 1.005 309 T HN 0.600 nan 8.240 nan 0.000 0.532 310 D N -1.801 118.437 120.400 -0.270 0.000 2.677 310 D HA 0.263 4.903 4.640 -0.000 0.000 0.298 310 D C 0.040 176.245 176.300 -0.158 0.000 1.250 310 D CA -1.180 52.456 54.000 -0.607 0.000 0.888 310 D CB -0.068 40.540 40.800 -0.321 0.000 1.397 310 D HN 0.014 nan 8.370 nan 0.000 0.461 311 W N -0.087 121.226 121.300 0.023 0.000 2.363 311 W HA 0.015 4.675 4.660 -0.000 0.000 0.296 311 W C 2.603 179.177 176.519 0.092 0.000 1.212 311 W CA 1.110 58.558 57.345 0.171 0.000 1.260 311 W CB -0.056 29.484 29.460 0.133 0.000 1.131 311 W HN 0.399 nan 8.180 nan 0.000 0.530 312 R N 0.620 121.266 120.500 0.243 0.000 2.070 312 R HA -0.212 4.128 4.340 -0.000 0.000 0.233 312 R C 2.099 178.472 176.300 0.123 0.000 1.137 312 R CA 2.033 58.219 56.100 0.143 0.000 0.945 312 R CB -0.552 29.827 30.300 0.132 0.000 0.845 312 R HN 0.242 nan 8.270 nan 0.000 0.430 313 Q N -0.179 119.712 119.800 0.152 0.000 2.096 313 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 313 Q C 2.111 178.206 176.000 0.159 0.000 0.982 313 Q CA 1.929 57.837 55.803 0.176 0.000 0.850 313 Q CB -0.166 28.647 28.738 0.125 0.000 0.901 313 Q HN 0.276 nan 8.270 nan 0.000 0.422 314 M N 0.462 120.156 119.600 0.157 0.000 2.149 314 M HA -0.103 4.377 4.480 -0.000 0.000 0.261 314 M C 1.878 178.266 176.300 0.147 0.000 1.064 314 M CA 1.976 57.363 55.300 0.144 0.000 1.102 314 M CB -0.731 31.937 32.600 0.113 0.000 1.369 314 M HN 0.213 nan 8.290 nan 0.000 0.408 315 G N -0.678 108.197 108.800 0.125 0.000 2.491 315 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 315 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 315 G C 1.446 176.335 174.900 -0.018 0.000 1.180 315 G CA 1.337 46.459 45.100 0.036 0.000 0.774 315 G HN 0.590 nan 8.290 nan 0.000 0.562 316 H N 0.793 119.934 119.070 0.119 0.000 2.357 316 H HA 0.070 4.626 4.556 -0.000 0.000 0.301 316 H C 2.975 178.348 175.328 0.075 0.000 1.082 316 H CA 1.137 57.239 56.048 0.089 0.000 1.342 316 H CB -0.673 29.139 29.762 0.083 0.000 1.389 316 H HN 0.389 nan 8.280 nan 0.000 0.511 317 A N 0.898 123.829 122.820 0.185 0.000 1.883 317 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 317 A C 2.829 180.456 177.584 0.071 0.000 1.186 317 A CA 1.890 53.999 52.037 0.120 0.000 0.624 317 A CB -0.952 18.107 19.000 0.099 0.000 0.822 317 A HN 0.224 nan 8.150 nan 0.000 0.444 318 V N -0.253 119.703 119.914 0.070 0.000 2.490 318 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 318 V C 2.692 178.709 176.094 -0.129 0.000 1.061 318 V CA 2.292 64.599 62.300 0.011 0.000 1.064 318 V CB -0.639 31.272 31.823 0.147 0.000 0.670 318 V HN 0.709 nan 8.190 nan 0.000 0.461 319 Q N 0.000 119.785 119.800 -0.025 0.000 2.123 319 Q HA -0.024 4.315 4.340 -0.000 0.000 0.199 319 Q C 1.790 177.786 176.000 -0.007 0.000 0.966 319 Q CA 1.585 57.369 55.803 -0.031 0.000 0.845 319 Q CB -0.246 28.536 28.738 0.073 0.000 0.907 319 Q HN 0.616 nan 8.270 nan 0.000 0.439 320 L N -0.505 120.753 121.223 0.058 0.000 2.591 320 L HA 0.114 4.453 4.340 -0.000 0.000 0.228 320 L C -0.369 176.631 176.870 0.217 0.000 1.133 320 L CA 0.045 54.972 54.840 0.145 0.000 0.880 320 L CB -0.326 41.815 42.059 0.136 0.000 1.033 320 L HN 0.366 nan 8.230 nan 0.000 0.450 321 H N -1.275 117.840 119.070 0.075 0.000 2.692 321 H HA -0.220 4.336 4.556 -0.000 0.000 0.316 321 H C 1.210 176.582 175.328 0.074 0.000 1.176 321 H CA 0.491 56.579 56.048 0.068 0.000 1.142 321 H CB -1.129 28.663 29.762 0.051 0.000 1.475 321 H HN 0.431 nan 8.280 nan 0.000 0.423 322 A N -0.360 122.542 122.820 0.137 0.000 2.220 322 A HA 0.449 4.769 4.320 -0.000 0.000 0.211 322 A C 0.509 178.150 177.584 0.095 0.000 1.176 322 A CA 0.805 52.915 52.037 0.122 0.000 0.834 322 A CB 0.918 19.980 19.000 0.103 0.000 0.868 322 A HN 0.135 nan 8.150 nan 0.000 0.488 323 V N 0.884 120.843 119.914 0.076 0.000 2.532 323 V HA 0.204 4.324 4.120 -0.000 0.000 0.294 323 V C -0.466 175.646 176.094 0.030 0.000 1.036 323 V CA -0.655 61.665 62.300 0.034 0.000 0.876 323 V CB 1.564 33.392 31.823 0.008 0.000 1.012 323 V HN 0.377 nan 8.190 nan 0.000 0.432 324 D N 3.487 123.898 120.400 0.017 0.000 2.249 324 D HA 0.157 4.796 4.640 -0.000 0.000 0.205 324 D C 0.462 176.726 176.300 -0.060 0.000 0.962 324 D CA 1.341 55.346 54.000 0.007 0.000 0.860 324 D CB 1.037 41.850 40.800 0.021 0.000 0.955 324 D HN 0.428 nan 8.370 nan 0.000 0.505 325 I N 1.990 122.477 120.570 -0.139 0.000 2.563 325 I HA 0.199 4.369 4.170 -0.000 0.000 0.276 325 I C -2.673 173.304 176.117 -0.234 0.000 1.074 325 I CA -1.937 59.220 61.300 -0.238 0.000 1.124 325 I CB 2.391 40.107 38.000 -0.474 0.000 1.225 325 I HN -0.391 nan 8.210 nan 0.000 0.482 326 P HA 0.255 nan 4.420 nan 0.000 0.276 326 P C -0.784 176.323 177.300 -0.322 0.000 1.235 326 P CA -0.084 62.892 63.100 -0.208 0.000 0.772 326 P CB 0.693 32.280 31.700 -0.189 0.000 0.871 327 L N 2.757 123.815 121.223 -0.275 0.000 2.283 327 L HA 0.570 4.910 4.340 -0.000 0.000 0.281 327 L C 0.354 177.132 176.870 -0.152 0.000 1.033 327 L CA -0.683 53.984 54.840 -0.288 0.000 0.848 327 L CB 1.023 43.001 42.059 -0.135 0.000 1.226 327 L HN 0.329 nan 8.230 nan 0.000 0.429 328 A N 2.146 124.696 122.820 -0.450 0.000 2.540 328 A HA 0.230 4.550 4.320 -0.000 0.000 0.340 328 A C -0.241 177.257 177.584 -0.144 0.000 1.424 328 A CA -0.558 51.140 52.037 -0.565 0.000 0.940 328 A CB 0.047 18.305 19.000 -1.237 0.000 1.149 328 A HN 0.644 nan 8.150 nan 0.000 0.505 329 D N 3.945 124.320 120.400 -0.041 0.000 2.451 329 D HA 0.083 4.723 4.640 -0.000 0.000 0.254 329 D C -1.402 175.121 176.300 0.372 0.000 1.204 329 D CA -1.492 52.515 54.000 0.012 0.000 0.896 329 D CB 1.084 41.617 40.800 -0.445 0.000 1.136 329 D HN 0.202 nan 8.370 nan 0.000 0.499 330 P HA -0.145 nan 4.420 nan 0.000 0.219 330 P C 0.591 177.922 177.300 0.053 0.000 1.146 330 P CA 1.301 64.493 63.100 0.154 0.000 0.808 330 P CB 0.049 31.731 31.700 -0.031 0.000 0.779 331 H N -2.969 116.203 119.070 0.171 0.000 2.457 331 H HA 0.010 4.566 4.556 -0.000 0.000 0.294 331 H C 1.176 176.510 175.328 0.010 0.000 1.064 331 H CA 1.096 57.181 56.048 0.061 0.000 1.330 331 H CB -0.576 29.222 29.762 0.061 0.000 1.395 331 H HN 0.167 nan 8.280 nan 0.000 0.541 332 F N -3.034 117.042 119.950 0.210 0.000 2.717 332 F HA 0.131 4.658 4.527 -0.000 0.000 0.297 332 F C 0.731 176.534 175.800 0.005 0.000 1.113 332 F CA -0.143 57.926 58.000 0.114 0.000 1.319 332 F CB 0.344 39.429 39.000 0.141 0.000 1.097 332 F HN 0.114 nan 8.300 nan 0.000 0.595 333 W N 0.714 122.135 121.300 0.201 0.000 3.103 333 W HA 0.260 4.920 4.660 -0.000 0.000 0.325 333 W C 0.592 177.178 176.519 0.112 0.000 1.170 333 W CA 0.869 58.298 57.345 0.140 0.000 1.712 333 W CB -0.277 29.252 29.460 0.115 0.000 1.068 333 W HN -0.023 nan 8.180 nan 0.000 0.592 334 T N -3.069 111.627 114.554 0.237 0.000 0.541 334 T HA -0.339 4.011 4.350 -0.000 0.000 0.774 334 T C 0.515 175.297 174.700 0.138 0.000 0.992 334 T CA 0.721 62.899 62.100 0.131 0.000 4.077 334 T CB -0.786 68.150 68.868 0.113 0.000 2.303 334 T HN 0.130 nan 8.240 nan 0.000 0.398 335 M N 1.005 120.634 119.600 0.050 0.000 2.156 335 M HA -0.062 4.417 4.480 -0.000 0.000 0.264 335 M C 2.732 179.066 176.300 0.058 0.000 1.067 335 M CA 1.815 57.136 55.300 0.035 0.000 1.131 335 M CB -0.475 32.111 32.600 -0.022 0.000 1.368 335 M HN 0.632 nan 8.290 nan 0.000 0.416 336 Q N 0.136 119.970 119.800 0.057 0.000 2.124 336 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 336 Q C 2.256 178.328 176.000 0.121 0.000 0.977 336 Q CA 1.858 57.696 55.803 0.058 0.000 0.850 336 Q CB -0.626 28.139 28.738 0.045 0.000 0.901 336 Q HN 0.684 nan 8.270 nan 0.000 0.429 337 G N 0.371 109.299 108.800 0.212 0.000 2.402 337 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.216 337 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.216 337 G C 1.567 176.662 174.900 0.325 0.000 1.162 337 G CA 0.974 46.303 45.100 0.381 0.000 0.777 337 G HN 0.390 nan 8.290 nan 0.000 0.539 338 S N -0.247 115.597 115.700 0.240 0.000 2.368 338 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 338 S C 2.478 177.063 174.600 -0.024 0.000 1.030 338 S CA 1.552 59.828 58.200 0.128 0.000 0.999 338 S CB -0.271 63.076 63.200 0.245 0.000 0.844 338 S HN 0.106 nan 8.310 nan 0.000 0.459 339 V N 1.547 121.418 119.914 -0.071 0.000 2.515 339 V HA -0.064 4.055 4.120 -0.000 0.000 0.250 339 V C 2.598 178.595 176.094 -0.161 0.000 1.058 339 V CA 1.928 64.091 62.300 -0.229 0.000 1.064 339 V CB -0.729 30.995 31.823 -0.165 0.000 0.675 339 V HN 0.413 nan 8.190 nan 0.000 0.461 340 R N -0.254 120.248 120.500 0.004 0.000 2.081 340 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 340 R C 2.186 178.544 176.300 0.098 0.000 1.131 340 R CA 1.506 57.658 56.100 0.086 0.000 0.960 340 R CB -0.331 30.124 30.300 0.258 0.000 0.856 340 R HN 0.395 nan 8.270 nan 0.000 0.436 341 V N 0.462 120.401 119.914 0.041 0.000 2.358 341 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 341 V C 2.331 178.351 176.094 -0.123 0.000 1.047 341 V CA 1.816 64.045 62.300 -0.117 0.000 1.035 341 V CB -0.599 30.933 31.823 -0.484 0.000 0.658 341 V HN 0.511 nan 8.190 nan 0.000 0.452 342 A N -0.706 121.917 122.820 -0.329 0.000 1.908 342 A HA -0.324 3.996 4.320 -0.000 0.000 0.218 342 A C 2.173 179.586 177.584 -0.286 0.000 1.181 342 A CA 2.193 53.893 52.037 -0.562 0.000 0.627 342 A CB -0.501 17.741 19.000 -1.263 0.000 0.818 342 A HN 0.625 nan 8.150 nan 0.000 0.445 343 Q N -1.329 118.325 119.800 -0.243 0.000 2.079 343 Q HA -0.109 4.230 4.340 -0.000 0.000 0.200 343 Q C 2.094 177.985 176.000 -0.183 0.000 0.974 343 Q CA 1.353 57.047 55.803 -0.182 0.000 0.840 343 Q CB -0.276 28.370 28.738 -0.153 0.000 0.898 343 Q HN 0.564 nan 8.270 nan 0.000 0.430 344 L N 0.164 121.261 121.223 -0.211 0.000 2.046 344 L HA -0.194 4.145 4.340 -0.000 0.000 0.208 344 L C 2.148 178.867 176.870 -0.252 0.000 1.077 344 L CA 1.602 56.219 54.840 -0.372 0.000 0.747 344 L CB -0.538 41.307 42.059 -0.356 0.000 0.896 344 L HN 0.314 nan 8.230 nan 0.000 0.432 345 C N -0.582 118.658 119.300 -0.100 0.000 2.413 345 C HA -0.182 4.278 4.460 -0.000 0.000 0.276 345 C C 2.512 177.521 174.990 0.032 0.000 1.236 345 C CA 1.082 60.107 59.018 0.012 0.000 1.735 345 C CB -1.055 26.721 27.740 0.060 0.000 2.031 345 C HN 0.647 nan 8.230 nan 0.000 0.474 346 D N 0.426 120.817 120.400 -0.014 0.000 2.144 346 D HA -0.118 4.521 4.640 -0.000 0.000 0.199 346 D C 2.220 178.546 176.300 0.044 0.000 0.984 346 D CA 1.232 55.237 54.000 0.008 0.000 0.834 346 D CB -0.159 40.624 40.800 -0.028 0.000 0.955 346 D HN 0.521 nan 8.370 nan 0.000 0.465 347 E N -0.630 119.580 120.200 0.016 0.000 2.072 347 E HA -0.145 4.204 4.350 -0.000 0.000 0.191 347 E C 1.381 178.193 176.600 0.355 0.000 0.985 347 E CA 0.685 57.149 56.400 0.108 0.000 0.801 347 E CB -0.452 29.237 29.700 -0.019 0.000 0.750 347 E HN 0.523 nan 8.360 nan 0.000 0.452 348 W N 0.440 121.755 121.300 0.025 0.000 3.330 348 W HA 0.379 5.039 4.660 -0.000 0.000 0.348 348 W C 1.036 177.575 176.519 0.033 0.000 1.205 348 W CA 0.125 57.488 57.345 0.030 0.000 1.841 348 W CB -0.058 29.421 29.460 0.031 0.000 1.084 348 W HN 0.258 nan 8.180 nan 0.000 0.665 349 G N 0.505 109.439 108.800 0.224 0.000 2.143 349 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.248 349 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.248 349 G C 0.239 175.212 174.900 0.122 0.000 0.991 349 G CA 0.246 45.431 45.100 0.142 0.000 0.689 349 G HN 0.196 nan 8.290 nan 0.000 0.522 350 L N -0.587 120.715 121.223 0.131 0.000 2.569 350 L HA 0.753 5.093 4.340 -0.000 0.000 0.247 350 L C 0.564 177.471 176.870 0.063 0.000 1.135 350 L CA -0.650 54.244 54.840 0.090 0.000 0.812 350 L CB 1.223 43.338 42.059 0.093 0.000 1.431 350 L HN 0.084 nan 8.230 nan 0.000 0.499 351 T N -0.667 113.903 114.554 0.027 0.000 2.847 351 T HA 0.203 4.553 4.350 -0.000 0.000 0.291 351 T C -1.124 173.586 174.700 0.017 0.000 0.998 351 T CA -0.334 61.780 62.100 0.024 0.000 0.967 351 T CB 0.813 69.665 68.868 -0.027 0.000 0.954 351 T HN 0.441 nan 8.240 nan 0.000 0.441 352 W N 3.520 124.746 121.300 -0.124 0.000 2.272 352 W HA 0.594 5.254 4.660 -0.000 0.000 0.318 352 W C 0.290 176.716 176.519 -0.155 0.000 1.255 352 W CA 0.242 57.493 57.345 -0.156 0.000 1.200 352 W CB 0.560 29.931 29.460 -0.148 0.000 1.170 352 W HN 0.816 nan 8.180 nan 0.000 0.549 353 G N 2.261 110.489 108.800 -0.954 0.000 3.022 353 G HA2 0.577 4.537 3.960 -0.000 0.000 0.284 353 G HA3 0.577 4.537 3.960 -0.000 0.000 0.284 353 G C -1.642 172.348 174.900 -1.517 0.000 1.375 353 G CA -0.798 43.642 45.100 -1.100 0.000 0.902 353 G HN 0.540 nan 8.290 nan 0.000 0.538 354 S N -1.109 114.020 115.700 -0.952 0.000 2.549 354 S HA 0.636 5.106 4.470 -0.000 0.000 0.280 354 S C -0.824 173.575 174.600 -0.336 0.000 1.109 354 S CA -0.790 57.032 58.200 -0.631 0.000 0.905 354 S CB 1.080 63.965 63.200 -0.524 0.000 1.081 354 S HN 0.954 nan 8.310 nan 0.000 0.477 355 H N 0.472 119.431 119.070 -0.186 0.000 2.630 355 H HA 0.874 5.430 4.556 -0.000 0.000 0.343 355 H C -0.338 175.042 175.328 0.088 0.000 1.232 355 H CA -0.608 55.392 56.048 -0.080 0.000 1.294 355 H CB 1.161 30.899 29.762 -0.040 0.000 1.746 355 H HN 0.714 nan 8.280 nan 0.000 0.593 356 S N 0.495 116.396 115.700 0.335 0.000 2.688 356 S HA 0.464 4.934 4.470 -0.000 0.000 0.275 356 S C -1.068 173.806 174.600 0.457 0.000 1.175 356 S CA -1.135 57.332 58.200 0.444 0.000 0.818 356 S CB 2.280 65.751 63.200 0.451 0.000 1.157 356 S HN 0.781 nan 8.310 nan 0.000 0.482 357 N N 0.064 118.897 118.700 0.221 0.000 2.629 357 N HA 0.414 5.154 4.740 -0.000 0.000 0.279 357 N C -1.538 173.642 175.510 -0.550 0.000 1.344 357 N CA -0.777 52.109 53.050 -0.274 0.000 0.789 357 N CB 0.996 39.460 38.487 -0.039 0.000 1.508 357 N HN 0.733 nan 8.380 nan 0.000 0.516 358 N N 0.393 118.574 118.700 -0.866 0.000 2.359 358 N HA -0.006 4.734 4.740 -0.000 0.000 0.261 358 N C -0.560 174.637 175.510 -0.523 0.000 1.267 358 N CA 0.857 53.409 53.050 -0.830 0.000 0.864 358 N CB -0.005 37.696 38.487 -1.311 0.000 1.063 358 N HN 0.526 nan 8.380 nan 0.000 0.474 359 H N -0.350 118.548 119.070 -0.286 0.000 2.942 359 H HA 0.596 5.152 4.556 -0.000 0.000 0.316 359 H C -1.243 174.166 175.328 0.136 0.000 1.323 359 H CA -1.012 55.056 56.048 0.035 0.000 1.144 359 H CB 0.501 30.344 29.762 0.136 0.000 1.866 359 H HN 0.242 nan 8.280 nan 0.000 0.545 360 F N -0.212 120.088 119.950 0.584 0.000 2.450 360 F HA 0.195 4.722 4.527 -0.000 0.000 0.361 360 F C 1.289 177.182 175.800 0.156 0.000 1.092 360 F CA -0.486 57.805 58.000 0.485 0.000 1.105 360 F CB 0.636 39.847 39.000 0.352 0.000 1.458 360 F HN 0.764 nan 8.300 nan 0.000 0.496 361 D N -0.662 119.828 120.400 0.150 0.000 2.363 361 D HA -0.040 4.600 4.640 -0.000 0.000 0.220 361 D C 1.628 177.901 176.300 -0.044 0.000 0.994 361 D CA 0.677 54.524 54.000 -0.256 0.000 0.890 361 D CB -0.809 39.885 40.800 -0.177 0.000 0.906 361 D HN 0.182 nan 8.370 nan 0.000 0.530 362 V N 0.687 120.653 119.914 0.087 0.000 2.302 362 V HA -0.181 3.939 4.120 -0.000 0.000 0.243 362 V C 2.558 178.661 176.094 0.016 0.000 1.036 362 V CA 1.536 63.866 62.300 0.049 0.000 1.020 362 V CB -0.715 31.142 31.823 0.057 0.000 0.657 362 V HN 0.174 nan 8.190 nan 0.000 0.453 363 S N 0.265 115.997 115.700 0.054 0.000 2.400 363 S HA -0.198 4.272 4.470 -0.000 0.000 0.232 363 S C 1.877 176.335 174.600 -0.237 0.000 1.025 363 S CA 1.716 59.848 58.200 -0.113 0.000 0.993 363 S CB -0.431 62.668 63.200 -0.167 0.000 0.808 363 S HN 0.438 nan 8.310 nan 0.000 0.478 364 L N 1.759 122.944 121.223 -0.064 0.000 2.046 364 L HA -0.026 4.313 4.340 -0.000 0.000 0.208 364 L C 2.331 179.213 176.870 0.020 0.000 1.077 364 L CA 1.911 56.755 54.840 0.007 0.000 0.747 364 L CB -0.946 40.958 42.059 -0.259 0.000 0.896 364 L HN 0.243 nan 8.230 nan 0.000 0.432 365 A N -0.798 122.017 122.820 -0.008 0.000 1.902 365 A HA -0.222 4.097 4.320 -0.000 0.000 0.217 365 A C 2.265 179.920 177.584 0.118 0.000 1.181 365 A CA 2.074 54.152 52.037 0.068 0.000 0.623 365 A CB -0.545 18.503 19.000 0.080 0.000 0.818 365 A HN 0.534 nan 8.150 nan 0.000 0.443 366 M N -1.803 117.788 119.600 -0.014 0.000 2.086 366 M HA -0.109 4.371 4.480 -0.000 0.000 0.261 366 M C 2.006 178.278 176.300 -0.046 0.000 1.067 366 M CA 1.574 56.814 55.300 -0.099 0.000 1.116 366 M CB -0.522 31.895 32.600 -0.305 0.000 1.348 366 M HN 0.418 nan 8.290 nan 0.000 0.407 367 F N 0.696 120.649 119.950 0.004 0.000 2.095 367 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 367 F C 2.736 178.566 175.800 0.049 0.000 1.104 367 F CA 1.656 59.673 58.000 0.028 0.000 1.232 367 F CB -1.580 37.425 39.000 0.008 0.000 0.987 367 F HN 0.148 nan 8.300 nan 0.000 0.475 368 T N -1.394 113.284 114.554 0.207 0.000 2.684 368 T HA -0.221 4.128 4.350 -0.000 0.000 0.267 368 T C 1.868 176.555 174.700 -0.023 0.000 1.036 368 T CA 1.787 63.917 62.100 0.051 0.000 1.148 368 T CB -0.469 68.365 68.868 -0.057 0.000 0.863 368 T HN 0.335 nan 8.240 nan 0.000 0.436 369 H N 0.010 119.110 119.070 0.050 0.000 2.395 369 H HA 0.067 4.623 4.556 -0.000 0.000 0.299 369 H C 2.506 177.838 175.328 0.006 0.000 1.070 369 H CA 0.958 57.015 56.048 0.015 0.000 1.356 369 H CB -0.387 29.370 29.762 -0.007 0.000 1.401 369 H HN 0.187 nan 8.280 nan 0.000 0.524 370 V N 1.178 121.182 119.914 0.151 0.000 2.261 370 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 370 V C 2.842 178.934 176.094 -0.004 0.000 1.047 370 V CA 1.643 63.994 62.300 0.084 0.000 1.015 370 V CB -0.962 30.968 31.823 0.179 0.000 0.642 370 V HN 0.450 nan 8.190 nan 0.000 0.446 371 A N -0.020 122.889 122.820 0.148 0.000 1.902 371 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 371 A C 2.381 179.955 177.584 -0.018 0.000 1.181 371 A CA 2.032 54.153 52.037 0.141 0.000 0.623 371 A CB -0.822 18.348 19.000 0.283 0.000 0.818 371 A HN 0.609 nan 8.150 nan 0.000 0.443 372 A N -0.702 122.110 122.820 -0.014 0.000 2.076 372 A HA 0.222 4.541 4.320 -0.000 0.000 0.220 372 A C 2.098 179.644 177.584 -0.063 0.000 1.160 372 A CA 1.807 53.822 52.037 -0.037 0.000 0.653 372 A CB -0.556 18.412 19.000 -0.053 0.000 0.801 372 A HN 1.114 nan 8.150 nan 0.000 0.455 373 A N -1.243 121.515 122.820 -0.102 0.000 2.348 373 A HA 0.652 4.972 4.320 -0.000 0.000 0.224 373 A C 1.103 178.544 177.584 -0.239 0.000 1.227 373 A CA 0.572 52.531 52.037 -0.131 0.000 0.885 373 A CB -0.419 18.521 19.000 -0.099 0.000 0.933 373 A HN 0.859 nan 8.150 nan 0.000 0.506 374 A N 1.979 124.584 122.820 -0.358 0.000 2.362 374 A HA 0.603 4.923 4.320 -0.000 0.000 0.276 374 A C -2.479 174.948 177.584 -0.262 0.000 1.153 374 A CA -1.354 50.374 52.037 -0.516 0.000 0.813 374 A CB 0.108 18.528 19.000 -0.966 0.000 1.081 374 A HN 0.268 nan 8.150 nan 0.000 0.507 375 P HA 0.555 nan 4.420 nan 0.000 0.281 375 P C 0.734 177.994 177.300 -0.067 0.000 1.264 375 P CA 1.019 64.053 63.100 -0.111 0.000 0.824 375 P CB 1.358 32.999 31.700 -0.099 0.000 1.092 376 G N 1.710 110.493 108.800 -0.030 0.000 2.512 376 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.254 376 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.254 376 G C -0.610 174.302 174.900 0.020 0.000 1.199 376 G CA -0.397 44.703 45.100 -0.001 0.000 0.941 376 G HN 0.655 nan 8.290 nan 0.000 0.569 377 N N 1.769 120.491 118.700 0.036 0.000 2.527 377 N HA 0.493 5.233 4.740 -0.000 0.000 0.236 377 N C 0.497 176.050 175.510 0.072 0.000 0.999 377 N CA 0.209 53.289 53.050 0.051 0.000 0.935 377 N CB 0.610 39.124 38.487 0.046 0.000 1.132 377 N HN 0.829 nan 8.380 nan 0.000 0.511 378 I N -1.858 118.771 120.570 0.097 0.000 2.783 378 I HA 0.548 4.718 4.170 -0.000 0.000 0.312 378 I C 0.659 176.824 176.117 0.079 0.000 0.988 378 I CA -0.612 60.780 61.300 0.154 0.000 1.182 378 I CB 1.635 39.812 38.000 0.296 0.000 1.368 378 I HN 0.042 nan 8.210 nan 0.000 0.511 379 T N 2.257 116.825 114.554 0.024 0.000 2.944 379 T HA 0.643 4.993 4.350 -0.000 0.000 0.284 379 T C 0.059 174.720 174.700 -0.064 0.000 1.010 379 T CA -0.370 61.717 62.100 -0.021 0.000 1.025 379 T CB 1.062 69.892 68.868 -0.064 0.000 1.079 379 T HN 0.912 nan 8.240 nan 0.000 0.516 380 A N 3.478 126.257 122.820 -0.068 0.000 2.567 380 A HA 0.371 4.691 4.320 -0.000 0.000 0.240 380 A C 0.648 178.118 177.584 -0.191 0.000 1.053 380 A CA -0.164 51.796 52.037 -0.129 0.000 0.755 380 A CB -0.847 18.067 19.000 -0.143 0.000 0.978 380 A HN 0.905 nan 8.150 nan 0.000 0.507 381 I N 0.051 120.491 120.570 -0.217 0.000 2.519 381 I HA 0.397 4.567 4.170 -0.000 0.000 0.287 381 I C -0.683 175.246 176.117 -0.313 0.000 1.047 381 I CA -0.877 60.237 61.300 -0.310 0.000 1.381 381 I CB 0.719 38.529 38.000 -0.316 0.000 1.417 381 I HN 0.439 nan 8.210 nan 0.000 0.540 382 D N 3.807 123.994 120.400 -0.354 0.000 2.414 382 D HA 0.300 4.940 4.640 -0.000 0.000 0.242 382 D C 0.012 176.173 176.300 -0.233 0.000 1.129 382 D CA 0.320 54.133 54.000 -0.312 0.000 0.885 382 D CB 1.228 41.863 40.800 -0.275 0.000 1.198 382 D HN 0.753 nan 8.370 nan 0.000 0.437 383 T N 0.217 114.770 114.554 -0.002 0.000 2.932 383 T HA 0.260 4.610 4.350 -0.000 0.000 0.318 383 T C -0.393 174.563 174.700 0.426 0.000 1.265 383 T CA -0.601 61.665 62.100 0.277 0.000 1.036 383 T CB 0.740 69.785 68.868 0.294 0.000 1.209 383 T HN 0.326 nan 8.240 nan 0.000 0.484 384 H N 2.073 121.407 119.070 0.440 0.000 2.529 384 H HA 0.276 4.832 4.556 -0.000 0.000 0.277 384 H C 1.346 176.807 175.328 0.220 0.000 1.004 384 H CA -0.053 56.207 56.048 0.353 0.000 1.167 384 H CB 0.182 30.031 29.762 0.145 0.000 1.445 384 H HN 0.586 nan 8.280 nan 0.000 0.554 385 W N 1.883 123.195 121.300 0.021 0.000 2.342 385 W HA -0.231 4.429 4.660 -0.000 0.000 0.297 385 W C 1.542 178.034 176.519 -0.046 0.000 1.213 385 W CA 1.654 58.950 57.345 -0.081 0.000 1.251 385 W CB -0.014 29.468 29.460 0.036 0.000 1.136 385 W HN 0.364 nan 8.180 nan 0.000 0.526 386 I N -2.011 118.430 120.570 -0.215 0.000 2.423 386 I HA -0.265 3.905 4.170 -0.000 0.000 0.254 386 I C 1.793 177.859 176.117 -0.085 0.000 1.151 386 I CA 1.744 62.796 61.300 -0.413 0.000 1.421 386 I CB -1.345 36.202 38.000 -0.755 0.000 1.079 386 I HN -0.065 nan 8.210 nan 0.000 0.431 387 W N 0.874 122.213 121.300 0.065 0.000 2.595 387 W HA -0.002 4.658 4.660 -0.000 0.000 0.257 387 W C 2.227 178.669 176.519 -0.127 0.000 1.267 387 W CA 0.227 57.563 57.345 -0.014 0.000 1.300 387 W CB -0.139 29.256 29.460 -0.108 0.000 1.120 387 W HN 0.190 nan 8.180 nan 0.000 0.618 388 Q N -0.584 119.153 119.800 -0.106 0.000 2.280 388 Q HA 0.059 4.398 4.340 -0.000 0.000 0.244 388 Q C 0.855 176.511 176.000 -0.573 0.000 0.847 388 Q CA 0.186 55.848 55.803 -0.234 0.000 0.945 388 Q CB 0.082 28.699 28.738 -0.202 0.000 1.115 388 Q HN -0.032 nan 8.270 nan 0.000 0.513 389 E N 0.489 120.135 120.200 -0.923 0.000 2.437 389 E HA 0.114 4.463 4.350 -0.000 0.000 0.263 389 E C 0.154 176.616 176.600 -0.229 0.000 1.030 389 E CA 0.866 56.689 56.400 -0.961 0.000 0.934 389 E CB 0.480 29.721 29.700 -0.766 0.000 0.943 389 E HN 0.298 nan 8.360 nan 0.000 0.444 390 A N 3.096 125.888 122.820 -0.046 0.000 2.829 390 A HA -0.288 4.031 4.320 -0.000 0.000 0.267 390 A C 1.112 178.740 177.584 0.074 0.000 1.370 390 A CA 2.200 54.281 52.037 0.073 0.000 0.900 390 A CB -1.766 17.288 19.000 0.090 0.000 1.044 390 A HN 0.763 nan 8.150 nan 0.000 0.691 391 Q N -1.491 118.344 119.800 0.057 0.000 2.534 391 Q HA 0.113 4.453 4.340 -0.000 0.000 0.207 391 Q C 0.037 176.137 176.000 0.166 0.000 0.735 391 Q CA 0.120 55.986 55.803 0.104 0.000 0.904 391 Q CB 0.462 29.263 28.738 0.104 0.000 1.294 391 Q HN 0.632 nan 8.270 nan 0.000 0.553 392 E N 1.502 121.824 120.200 0.203 0.000 2.283 392 E HA 0.381 4.730 4.350 -0.000 0.000 0.271 392 E C -0.775 176.109 176.600 0.473 0.000 1.031 392 E CA -0.211 56.423 56.400 0.389 0.000 0.868 392 E CB 1.801 31.834 29.700 0.555 0.000 1.094 392 E HN 0.224 nan 8.360 nan 0.000 0.401 393 R N 2.364 123.137 120.500 0.455 0.000 2.725 393 R HA 0.170 4.510 4.340 -0.000 0.000 0.276 393 R C -0.455 176.003 176.300 0.263 0.000 1.189 393 R CA -0.145 56.197 56.100 0.404 0.000 1.083 393 R CB 0.231 30.709 30.300 0.298 0.000 1.262 393 R HN 0.516 nan 8.270 nan 0.000 0.415 394 L N 1.919 123.277 121.223 0.225 0.000 2.609 394 L HA 0.199 4.539 4.340 -0.000 0.000 0.230 394 L C 0.834 177.745 176.870 0.068 0.000 1.087 394 L CA 0.374 55.260 54.840 0.076 0.000 0.874 394 L CB 0.868 42.908 42.059 -0.032 0.000 1.114 394 L HN 0.688 nan 8.230 nan 0.000 0.488 395 T N -4.075 110.542 114.554 0.105 0.000 2.948 395 T HA 0.323 4.673 4.350 -0.000 0.000 0.285 395 T C 1.012 175.767 174.700 0.091 0.000 1.019 395 T CA -0.740 61.407 62.100 0.079 0.000 1.013 395 T CB 1.881 70.792 68.868 0.072 0.000 1.117 395 T HN -0.032 nan 8.240 nan 0.000 0.533 396 R N 0.006 120.548 120.500 0.071 0.000 2.148 396 R HA 0.084 4.424 4.340 -0.000 0.000 0.227 396 R C 0.761 177.112 176.300 0.085 0.000 1.103 396 R CA 1.086 57.228 56.100 0.070 0.000 0.983 396 R CB 0.043 30.374 30.300 0.053 0.000 0.874 396 R HN 0.787 nan 8.270 nan 0.000 0.451 397 E N 0.605 120.859 120.200 0.091 0.000 2.738 397 E HA 0.212 4.562 4.350 -0.000 0.000 0.347 397 E C -2.660 174.006 176.600 0.109 0.000 1.077 397 E CA -1.773 54.687 56.400 0.100 0.000 0.755 397 E CB 1.155 30.902 29.700 0.077 0.000 1.576 397 E HN -0.109 nan 8.360 nan 0.000 0.379 398 P HA 0.029 nan 4.420 nan 0.000 0.268 398 P C -0.459 176.913 177.300 0.120 0.000 1.205 398 P CA -0.485 62.701 63.100 0.143 0.000 0.771 398 P CB 0.438 32.309 31.700 0.285 0.000 0.858 399 L N 3.168 124.423 121.223 0.052 0.000 2.529 399 L HA 0.014 4.354 4.340 -0.000 0.000 0.287 399 L C 1.218 178.155 176.870 0.111 0.000 1.241 399 L CA 1.137 56.007 54.840 0.050 0.000 0.857 399 L CB -0.470 41.588 42.059 -0.002 0.000 1.113 399 L HN 0.334 nan 8.230 nan 0.000 0.504 400 R N 3.414 123.987 120.500 0.123 0.000 2.589 400 R HA 0.548 4.888 4.340 -0.000 0.000 0.293 400 R C -0.775 175.608 176.300 0.139 0.000 0.963 400 R CA -0.885 55.324 56.100 0.183 0.000 0.905 400 R CB 1.439 31.832 30.300 0.156 0.000 1.144 400 R HN 0.475 nan 8.270 nan 0.000 0.459 401 I N 3.344 124.021 120.570 0.179 0.000 2.347 401 I HA 0.094 4.264 4.170 -0.000 0.000 0.294 401 I C -0.054 176.087 176.117 0.039 0.000 1.090 401 I CA 0.276 61.611 61.300 0.058 0.000 1.314 401 I CB 0.575 38.535 38.000 -0.066 0.000 1.423 401 I HN 0.361 nan 8.210 nan 0.000 0.503 402 Q N 4.276 124.073 119.800 -0.006 0.000 2.321 402 Q HA 0.433 4.772 4.340 -0.000 0.000 0.270 402 Q C 0.434 176.402 176.000 -0.053 0.000 1.032 402 Q CA -0.632 55.153 55.803 -0.029 0.000 0.784 402 Q CB 2.237 30.975 28.738 0.001 0.000 1.264 402 Q HN 0.895 nan 8.270 nan 0.000 0.448 403 G N 1.631 110.371 108.800 -0.099 0.000 2.295 403 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.287 403 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.287 403 G C 0.741 175.625 174.900 -0.026 0.000 1.055 403 G CA 0.634 45.688 45.100 -0.077 0.000 0.922 403 G HN 1.319 nan 8.290 nan 0.000 0.503 404 G N -1.773 106.892 108.800 -0.225 0.000 2.212 404 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.267 404 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.267 404 G C 0.213 175.068 174.900 -0.075 0.000 1.002 404 G CA 1.528 46.478 45.100 -0.250 0.000 0.729 404 G HN 1.569 nan 8.290 nan 0.000 0.517 405 H N -2.198 116.791 119.070 -0.135 0.000 2.821 405 H HA 0.648 5.204 4.556 -0.000 0.000 0.373 405 H C -0.532 174.769 175.328 -0.046 0.000 1.165 405 H CA -0.594 55.416 56.048 -0.064 0.000 1.154 405 H CB 2.238 31.971 29.762 -0.048 0.000 1.765 405 H HN 0.180 nan 8.280 nan 0.000 0.549 406 V N 1.710 121.663 119.914 0.066 0.000 2.357 406 V HA 0.556 4.676 4.120 -0.000 0.000 0.284 406 V C 0.087 176.203 176.094 0.037 0.000 1.018 406 V CA -0.929 61.396 62.300 0.042 0.000 0.841 406 V CB 1.160 32.994 31.823 0.018 0.000 0.991 406 V HN 0.971 nan 8.190 nan 0.000 0.437 407 A N 5.003 127.840 122.820 0.029 0.000 2.450 407 A HA 0.528 4.848 4.320 -0.000 0.000 0.255 407 A C 0.122 177.686 177.584 -0.033 0.000 1.096 407 A CA -0.247 51.795 52.037 0.008 0.000 0.778 407 A CB 0.289 19.293 19.000 0.008 0.000 1.031 407 A HN 0.787 nan 8.150 nan 0.000 0.494 408 V N 5.370 125.247 119.914 -0.062 0.000 2.493 408 V HA 0.101 4.221 4.120 -0.000 0.000 0.292 408 V C -1.844 174.208 176.094 -0.070 0.000 1.016 408 V CA -0.812 61.404 62.300 -0.140 0.000 1.097 408 V CB -0.110 31.623 31.823 -0.150 0.000 0.947 408 V HN 0.789 nan 8.190 nan 0.000 0.479 409 P HA 0.122 nan 4.420 nan 0.000 0.267 409 P C 0.534 177.861 177.300 0.045 0.000 1.200 409 P CA -0.011 63.102 63.100 0.022 0.000 0.772 409 P CB 0.729 32.470 31.700 0.069 0.000 0.855 410 E N 0.739 120.961 120.200 0.037 0.000 2.400 410 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 410 E C 0.223 176.847 176.600 0.040 0.000 1.012 410 E CA 0.011 56.433 56.400 0.035 0.000 0.875 410 E CB 0.145 29.857 29.700 0.020 0.000 0.859 410 E HN 0.385 nan 8.360 nan 0.000 0.498 411 R N 1.822 122.349 120.500 0.045 0.000 2.756 411 R HA 0.066 4.406 4.340 -0.000 0.000 0.264 411 R C -2.299 174.028 176.300 0.045 0.000 1.026 411 R CA -1.152 54.973 56.100 0.040 0.000 1.121 411 R CB -0.404 29.921 30.300 0.041 0.000 0.999 411 R HN -0.071 nan 8.270 nan 0.000 0.449 412 P HA 0.064 nan 4.420 nan 0.000 0.272 412 P C 0.331 177.628 177.300 -0.005 0.000 1.240 412 P CA 0.319 63.425 63.100 0.010 0.000 0.791 412 P CB 0.623 32.325 31.700 0.003 0.000 0.978 413 G N -0.067 108.709 108.800 -0.041 0.000 2.552 413 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.265 413 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.265 413 G C 0.702 175.494 174.900 -0.180 0.000 1.234 413 G CA 0.102 45.150 45.100 -0.087 0.000 0.944 413 G HN 0.494 nan 8.290 nan 0.000 0.568 414 L N 2.009 123.137 121.223 -0.160 0.000 2.551 414 L HA 0.284 4.624 4.340 -0.000 0.000 0.228 414 L C 2.389 179.315 176.870 0.093 0.000 1.153 414 L CA 1.214 55.959 54.840 -0.158 0.000 0.851 414 L CB -0.621 41.396 42.059 -0.071 0.000 0.959 414 L HN 2.088 nan 8.230 nan 0.000 0.451 415 G N 1.375 110.214 108.800 0.065 0.000 2.176 415 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.252 415 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.252 415 G C 0.116 175.060 174.900 0.074 0.000 1.024 415 G CA 0.625 45.783 45.100 0.097 0.000 0.755 415 G HN 0.507 nan 8.290 nan 0.000 0.507 416 I N -4.248 116.352 120.570 0.050 0.000 3.042 416 I HA 0.941 5.110 4.170 -0.000 0.000 0.310 416 I C -0.615 175.520 176.117 0.030 0.000 1.117 416 I CA -1.581 59.744 61.300 0.042 0.000 1.003 416 I CB 2.419 40.443 38.000 0.039 0.000 1.228 416 I HN 0.008 nan 8.210 nan 0.000 0.443 417 E N 2.823 123.042 120.200 0.032 0.000 2.244 417 E HA 0.403 4.753 4.350 -0.000 0.000 0.260 417 E C -1.357 175.257 176.600 0.024 0.000 0.884 417 E CA -0.963 55.452 56.400 0.025 0.000 0.777 417 E CB 2.168 31.884 29.700 0.028 0.000 1.197 417 E HN 0.650 nan 8.360 nan 0.000 0.416 418 I N 3.555 124.132 120.570 0.012 0.000 2.710 418 I HA -0.041 4.128 4.170 -0.000 0.000 0.286 418 I C -0.208 175.915 176.117 0.010 0.000 1.181 418 I CA 0.590 61.894 61.300 0.006 0.000 1.430 418 I CB 0.602 38.594 38.000 -0.013 0.000 1.367 418 I HN 0.438 nan 8.210 nan 0.000 0.577 419 D N 7.826 128.235 120.400 0.016 0.000 2.443 419 D HA 0.112 4.752 4.640 -0.000 0.000 0.221 419 D C 0.784 177.087 176.300 0.004 0.000 1.097 419 D CA -0.358 53.654 54.000 0.019 0.000 0.865 419 D CB 0.903 41.727 40.800 0.039 0.000 1.034 419 D HN 0.430 nan 8.370 nan 0.000 0.511 420 M N 1.987 121.585 119.600 -0.003 0.000 2.229 420 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 420 M C 0.981 177.277 176.300 -0.007 0.000 1.063 420 M CA 0.956 56.247 55.300 -0.015 0.000 1.114 420 M CB -0.433 32.155 32.600 -0.019 0.000 1.387 420 M HN 0.342 nan 8.290 nan 0.000 0.420 421 D N -0.006 120.398 120.400 0.006 0.000 2.123 421 D HA -0.139 4.500 4.640 -0.000 0.000 0.196 421 D C 2.168 178.478 176.300 0.017 0.000 0.992 421 D CA 0.971 54.979 54.000 0.013 0.000 0.833 421 D CB -0.185 40.627 40.800 0.020 0.000 0.954 421 D HN 0.209 nan 8.370 nan 0.000 0.455 422 R N 0.491 121.002 120.500 0.019 0.000 2.092 422 R HA -0.016 4.323 4.340 -0.000 0.000 0.231 422 R C 2.424 178.720 176.300 -0.007 0.000 1.119 422 R CA 0.268 56.383 56.100 0.025 0.000 0.970 422 R CB -0.945 29.383 30.300 0.047 0.000 0.864 422 R HN 0.183 nan 8.270 nan 0.000 0.440 423 V N 1.342 121.237 119.914 -0.032 0.000 2.261 423 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 423 V C 2.449 178.526 176.094 -0.028 0.000 1.047 423 V CA 1.585 63.841 62.300 -0.073 0.000 1.015 423 V CB -0.380 31.391 31.823 -0.087 0.000 0.642 423 V HN 0.146 nan 8.190 nan 0.000 0.446 424 M N -0.006 119.592 119.600 -0.002 0.000 2.159 424 M HA -0.099 4.380 4.480 -0.000 0.000 0.263 424 M C 2.355 178.697 176.300 0.069 0.000 1.063 424 M CA 1.997 57.327 55.300 0.050 0.000 1.110 424 M CB -1.779 30.841 32.600 0.033 0.000 1.374 424 M HN 0.390 nan 8.290 nan 0.000 0.411 425 A N 0.133 122.974 122.820 0.035 0.000 1.883 425 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 425 A C 2.448 180.048 177.584 0.026 0.000 1.186 425 A CA 2.334 54.389 52.037 0.030 0.000 0.624 425 A CB -1.012 18.008 19.000 0.032 0.000 0.822 425 A HN 0.477 nan 8.150 nan 0.000 0.444 426 A N -1.216 121.613 122.820 0.015 0.000 1.930 426 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 426 A C 2.030 179.632 177.584 0.030 0.000 1.175 426 A CA 2.090 54.125 52.037 -0.004 0.000 0.627 426 A CB -0.818 18.110 19.000 -0.120 0.000 0.815 426 A HN 0.763 nan 8.150 nan 0.000 0.443 427 H N 0.069 119.107 119.070 -0.053 0.000 2.357 427 H HA 0.090 4.645 4.556 -0.000 0.000 0.301 427 H C 2.144 177.505 175.328 0.055 0.000 1.082 427 H CA 1.654 57.695 56.048 -0.011 0.000 1.342 427 H CB -0.301 29.431 29.762 -0.050 0.000 1.389 427 H HN 0.370 nan 8.280 nan 0.000 0.511 428 A N 0.622 123.410 122.820 -0.054 0.000 1.908 428 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 428 A C 2.405 179.906 177.584 -0.137 0.000 1.181 428 A CA 1.738 53.708 52.037 -0.113 0.000 0.627 428 A CB -1.015 17.962 19.000 -0.038 0.000 0.818 428 A HN 0.482 nan 8.150 nan 0.000 0.445 429 L N -1.450 119.715 121.223 -0.096 0.000 2.017 429 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 429 L C 2.345 179.093 176.870 -0.202 0.000 1.073 429 L CA 2.544 57.294 54.840 -0.150 0.000 0.745 429 L CB -1.032 40.967 42.059 -0.100 0.000 0.894 429 L HN 0.555 nan 8.230 nan 0.000 0.432 430 Y N 0.667 120.824 120.300 -0.238 0.000 2.114 430 Y HA -0.300 4.250 4.550 -0.000 0.000 0.282 430 Y C 2.295 178.041 175.900 -0.256 0.000 1.165 430 Y CA 2.213 60.177 58.100 -0.227 0.000 1.148 430 Y CB -0.298 38.070 38.460 -0.152 0.000 0.972 430 Y HN 0.165 nan 8.280 nan 0.000 0.504 431 K N -0.408 119.802 120.400 -0.317 0.000 2.211 431 K HA -0.161 4.159 4.320 -0.000 0.000 0.204 431 K C 1.993 178.379 176.600 -0.356 0.000 1.047 431 K CA 1.763 57.822 56.287 -0.380 0.000 0.935 431 K CB -0.579 31.752 32.500 -0.283 0.000 0.728 431 K HN 0.633 nan 8.250 nan 0.000 0.452 432 T N -1.192 113.165 114.554 -0.328 0.000 3.055 432 T HA 0.051 4.401 4.350 -0.000 0.000 0.265 432 T C 1.944 176.446 174.700 -0.329 0.000 1.111 432 T CA 0.274 62.201 62.100 -0.288 0.000 1.118 432 T CB -0.100 68.612 68.868 -0.260 0.000 0.909 432 T HN 0.049 nan 8.240 nan 0.000 0.501 433 L N 0.714 121.679 121.223 -0.430 0.000 2.049 433 L HA 0.327 4.667 4.340 -0.000 0.000 0.203 433 L C 2.251 178.938 176.870 -0.305 0.000 1.074 433 L CA 0.929 55.540 54.840 -0.382 0.000 0.749 433 L CB -1.403 40.413 42.059 -0.405 0.000 0.907 433 L HN 0.648 nan 8.230 nan 0.000 0.439 434 G N 0.088 108.648 108.800 -0.401 0.000 2.509 434 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.256 434 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.256 434 G C -2.302 172.479 174.900 -0.199 0.000 1.152 434 G CA -0.204 44.728 45.100 -0.281 0.000 0.951 434 G HN 0.278 nan 8.290 nan 0.000 0.559 435 P HA 0.639 nan 4.420 nan 0.000 0.297 435 P C 0.014 177.297 177.300 -0.028 0.000 1.342 435 P CA 0.836 63.904 63.100 -0.053 0.000 0.801 435 P CB 1.021 32.698 31.700 -0.039 0.000 0.920 436 G N 1.189 109.987 108.800 -0.005 0.000 2.368 436 G HA2 0.481 4.441 3.960 -0.000 0.000 0.301 436 G HA3 0.481 4.441 3.960 -0.000 0.000 0.301 436 G C -1.414 173.506 174.900 0.033 0.000 1.640 436 G CA -0.285 44.823 45.100 0.013 0.000 0.941 436 G HN 0.545 nan 8.290 nan 0.000 0.695 437 A N 1.273 124.114 122.820 0.034 0.000 2.271 437 A HA 0.842 5.162 4.320 -0.000 0.000 0.288 437 A C 0.960 178.566 177.584 0.036 0.000 1.094 437 A CA -0.187 51.875 52.037 0.041 0.000 0.828 437 A CB 0.555 19.576 19.000 0.034 0.000 1.091 437 A HN 1.305 nan 8.150 nan 0.000 0.493 438 R N 0.369 120.891 120.500 0.036 0.000 2.523 438 R HA 0.046 4.386 4.340 -0.000 0.000 0.281 438 R C -1.379 174.926 176.300 0.008 0.000 0.969 438 R CA 0.737 56.847 56.100 0.017 0.000 1.093 438 R CB 0.135 30.433 30.300 -0.003 0.000 0.917 438 R HN 0.663 nan 8.270 nan 0.000 0.408 439 D N 2.786 123.190 120.400 0.007 0.000 2.386 439 D HA 0.153 4.793 4.640 -0.000 0.000 0.247 439 D C -0.752 175.556 176.300 0.012 0.000 1.336 439 D CA -0.570 53.442 54.000 0.019 0.000 0.976 439 D CB 1.427 42.251 40.800 0.040 0.000 1.257 439 D HN 0.495 nan 8.370 nan 0.000 0.570 440 D N 1.970 122.369 120.400 -0.000 0.000 2.317 440 D HA 0.063 4.703 4.640 -0.000 0.000 0.211 440 D C 1.881 178.145 176.300 -0.061 0.000 0.966 440 D CA 0.679 54.665 54.000 -0.024 0.000 0.876 440 D CB 0.293 41.084 40.800 -0.014 0.000 0.927 440 D HN 0.487 nan 8.370 nan 0.000 0.519 441 A N 0.796 123.638 122.820 0.037 0.000 1.969 441 A HA -0.145 4.174 4.320 -0.000 0.000 0.218 441 A C 2.036 179.666 177.584 0.077 0.000 1.169 441 A CA 0.865 52.965 52.037 0.106 0.000 0.635 441 A CB -0.431 18.766 19.000 0.327 0.000 0.810 441 A HN 0.133 nan 8.150 nan 0.000 0.445 442 M N 0.402 120.051 119.600 0.081 0.000 2.180 442 M HA -0.231 4.248 4.480 -0.000 0.000 0.260 442 M C 2.271 178.665 176.300 0.157 0.000 1.071 442 M CA 2.448 57.813 55.300 0.109 0.000 1.096 442 M CB -1.035 31.623 32.600 0.098 0.000 1.276 442 M HN 0.415 nan 8.290 nan 0.000 0.426 443 A N -0.391 122.506 122.820 0.128 0.000 2.070 443 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 443 A C 1.999 179.669 177.584 0.144 0.000 1.159 443 A CA 1.720 53.866 52.037 0.181 0.000 0.656 443 A CB -0.710 18.364 19.000 0.124 0.000 0.800 443 A HN 0.656 nan 8.150 nan 0.000 0.453 444 M N -0.320 119.257 119.600 -0.039 0.000 2.296 444 M HA -0.104 4.375 4.480 -0.000 0.000 0.265 444 M C 1.876 178.153 176.300 -0.040 0.000 1.064 444 M CA 1.327 56.500 55.300 -0.211 0.000 1.109 444 M CB -0.450 31.707 32.600 -0.738 0.000 1.396 444 M HN 0.414 nan 8.290 nan 0.000 0.430 445 Q N -0.971 118.868 119.800 0.065 0.000 2.248 445 Q HA -0.213 4.127 4.340 -0.000 0.000 0.208 445 Q C 1.937 177.932 176.000 -0.008 0.000 0.984 445 Q CA 1.844 57.678 55.803 0.052 0.000 0.875 445 Q CB -0.906 27.828 28.738 -0.006 0.000 0.910 445 Q HN 0.640 nan 8.270 nan 0.000 0.433 446 Y N -0.276 120.029 120.300 0.008 0.000 2.293 446 Y HA -0.151 4.399 4.550 -0.000 0.000 0.291 446 Y C 1.953 177.850 175.900 -0.005 0.000 1.137 446 Y CA 0.550 58.654 58.100 0.008 0.000 1.202 446 Y CB 0.142 38.609 38.460 0.011 0.000 0.990 446 Y HN 0.049 nan 8.280 nan 0.000 0.537 447 L N -1.810 119.484 121.223 0.119 0.000 2.408 447 L HA 0.131 4.471 4.340 -0.000 0.000 0.215 447 L C 0.032 176.933 176.870 0.052 0.000 1.081 447 L CA 0.486 55.356 54.840 0.050 0.000 0.840 447 L CB 0.282 42.334 42.059 -0.011 0.000 1.002 447 L HN -0.190 nan 8.230 nan 0.000 0.468 448 V N 0.669 120.627 119.914 0.074 0.000 2.595 448 V HA 0.280 4.400 4.120 -0.000 0.000 0.269 448 V C -2.437 173.751 176.094 0.156 0.000 0.982 448 V CA -1.428 60.952 62.300 0.133 0.000 0.873 448 V CB 1.444 33.413 31.823 0.244 0.000 1.051 448 V HN -0.035 nan 8.190 nan 0.000 0.466 449 P HA 0.176 nan 4.420 nan 0.000 0.262 449 P C 1.123 178.480 177.300 0.095 0.000 1.182 449 P CA 1.639 64.775 63.100 0.060 0.000 0.761 449 P CB 0.591 32.306 31.700 0.024 0.000 0.795 450 G N 1.654 110.513 108.800 0.099 0.000 2.155 450 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 450 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 450 G C -0.022 174.960 174.900 0.137 0.000 0.983 450 G CA -0.321 44.836 45.100 0.094 0.000 0.676 450 G HN 0.574 nan 8.290 nan 0.000 0.528 451 W N 1.605 122.918 121.300 0.021 0.000 2.343 451 W HA 0.448 5.108 4.660 -0.000 0.000 0.337 451 W C 0.301 176.851 176.519 0.052 0.000 1.320 451 W CA 1.301 58.668 57.345 0.037 0.000 1.290 451 W CB 0.505 29.994 29.460 0.049 0.000 1.206 451 W HN 0.115 nan 8.180 nan 0.000 0.565 452 T N 7.042 121.198 114.554 -0.663 0.000 2.876 452 T HA 0.132 4.481 4.350 -0.000 0.000 0.289 452 T C -1.188 172.785 174.700 -1.212 0.000 1.014 452 T CA -0.472 61.261 62.100 -0.612 0.000 0.986 452 T CB 0.754 69.448 68.868 -0.290 0.000 1.021 452 T HN 0.223 nan 8.240 nan 0.000 0.458 453 Y N 2.957 122.762 120.300 -0.825 0.000 2.526 453 Y HA 0.339 4.889 4.550 -0.000 0.000 0.330 453 Y C -0.028 175.675 175.900 -0.327 0.000 1.156 453 Y CA -0.099 57.678 58.100 -0.538 0.000 1.419 453 Y CB 0.429 38.877 38.460 -0.020 0.000 1.250 453 Y HN 0.461 nan 8.280 nan 0.000 0.540 454 D N 8.425 128.277 120.400 -0.914 0.000 2.686 454 D HA 0.261 4.900 4.640 -0.000 0.000 0.249 454 D C -2.275 173.541 176.300 -0.807 0.000 1.260 454 D CA -2.196 51.362 54.000 -0.736 0.000 0.910 454 D CB 2.173 42.732 40.800 -0.402 0.000 1.323 454 D HN 0.337 nan 8.370 nan 0.000 0.561 455 P HA -0.025 nan 4.420 nan 0.000 0.230 455 P C 0.469 177.674 177.300 -0.158 0.000 1.158 455 P CA 0.520 63.385 63.100 -0.392 0.000 0.769 455 P CB 0.519 32.136 31.700 -0.140 0.000 0.807 456 K N -0.356 119.956 120.400 -0.148 0.000 2.478 456 K HA 0.192 4.512 4.320 -0.000 0.000 0.205 456 K C 0.591 177.183 176.600 -0.014 0.000 1.033 456 K CA -0.158 56.100 56.287 -0.047 0.000 1.091 456 K CB 1.210 33.694 32.500 -0.027 0.000 0.844 456 K HN 0.128 nan 8.250 nan 0.000 0.507 457 R N 1.760 122.234 120.500 -0.043 0.000 2.510 457 R HA 0.294 4.634 4.340 -0.000 0.000 0.294 457 R C -3.018 173.307 176.300 0.043 0.000 1.056 457 R CA -1.557 54.544 56.100 0.002 0.000 0.918 457 R CB 1.591 31.861 30.300 -0.050 0.000 1.187 457 R HN -0.179 nan 8.270 nan 0.000 0.437 458 P HA -0.069 nan 4.420 nan 0.000 0.266 458 P C 0.688 178.093 177.300 0.174 0.000 1.186 458 P CA 0.331 63.517 63.100 0.143 0.000 0.767 458 P CB 0.777 32.573 31.700 0.160 0.000 0.820 459 S N 2.181 118.034 115.700 0.256 0.000 2.400 459 S HA -0.106 4.364 4.470 -0.000 0.000 0.232 459 S C 0.847 175.713 174.600 0.444 0.000 1.025 459 S CA 1.023 59.512 58.200 0.483 0.000 0.993 459 S CB -0.768 62.685 63.200 0.421 0.000 0.808 459 S HN 0.267 nan 8.310 nan 0.000 0.478 460 L N 0.000 121.347 121.223 0.206 0.000 2.949 460 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 460 L CA 0.000 54.922 54.840 0.137 0.000 0.813 460 L CB 0.000 42.079 42.059 0.033 0.000 0.961 460 L HN 0.000 nan 8.230 nan 0.000 0.502