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 2w7k_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAEGYPGRRY AGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA ASAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.258 176.300 -0.069 0.000 1.140 1 M CA 0.000 55.329 55.300 0.048 0.000 0.988 1 M CB 0.000 32.682 32.600 0.137 0.000 1.302 2 K N 0.245 120.590 120.400 -0.092 0.000 2.494 2 K HA 0.271 4.605 4.320 0.025 0.000 0.201 2 K C 0.681 177.085 176.600 -0.326 0.000 1.338 2 K CA 0.442 56.585 56.287 -0.241 0.000 0.935 2 K CB 0.415 32.740 32.500 -0.290 0.000 1.514 2 K HN 0.634 nan 8.250 nan 0.000 0.490 3 Y N 0.686 120.919 120.300 -0.112 0.000 2.448 3 Y HA 0.043 4.599 4.550 0.011 0.000 0.289 3 Y C 1.833 177.661 175.900 -0.120 0.000 1.114 3 Y CA 0.294 58.334 58.100 -0.101 0.000 1.235 3 Y CB 0.225 38.646 38.460 -0.065 0.000 1.045 3 Y HN 0.095 nan 8.280 nan 0.000 0.554 4 L N 1.205 122.428 121.223 -0.001 0.000 2.072 4 L HA 0.008 4.362 4.340 0.025 0.000 0.205 4 L C -0.922 175.828 176.870 -0.201 0.000 1.079 4 L CA 1.642 56.457 54.840 -0.041 0.000 0.752 4 L CB -1.491 40.599 42.059 0.051 0.000 0.906 4 L HN -0.037 nan 8.230 nan 0.000 0.436 5 P HA -0.195 nan 4.420 nan 0.000 0.216 5 P C 1.407 178.532 177.300 -0.292 0.000 1.150 5 P CA 1.258 63.905 63.100 -0.755 0.000 0.837 5 P CB 0.107 31.166 31.700 -1.068 0.000 0.786 6 Q N -0.469 119.202 119.800 -0.214 0.000 2.096 6 Q HA -0.169 4.186 4.340 0.025 0.000 0.197 6 Q C 2.370 178.338 176.000 -0.053 0.000 0.964 6 Q CA 1.502 57.236 55.803 -0.115 0.000 0.838 6 Q CB -0.697 27.976 28.738 -0.110 0.000 0.906 6 Q HN 0.033 nan 8.270 nan 0.000 0.444 7 Q N 0.089 119.870 119.800 -0.031 0.000 2.046 7 Q HA -0.051 4.303 4.340 0.025 0.000 0.200 7 Q C -0.275 175.730 176.000 0.008 0.000 0.975 7 Q CA 1.511 57.316 55.803 0.003 0.000 0.836 7 Q CB 0.380 29.133 28.738 0.024 0.000 0.896 7 Q HN 0.186 nan 8.270 nan 0.000 0.428 8 D N -1.529 118.881 120.400 0.016 0.000 2.405 8 D HA 0.198 4.852 4.640 0.025 0.000 0.264 8 D C -2.252 174.101 176.300 0.088 0.000 1.240 8 D CA -1.723 52.305 54.000 0.046 0.000 0.893 8 D CB 1.397 42.229 40.800 0.055 0.000 1.198 8 D HN -0.002 nan 8.370 nan 0.000 0.514 9 P HA -0.111 nan 4.420 nan 0.000 0.218 9 P C 1.360 178.744 177.300 0.139 0.000 1.148 9 P CA 1.100 64.275 63.100 0.126 0.000 0.822 9 P CB 0.620 32.364 31.700 0.073 0.000 0.784 10 Q N -0.822 119.030 119.800 0.087 0.000 2.046 10 Q HA -0.086 4.269 4.340 0.025 0.000 0.200 10 Q C 2.103 178.141 176.000 0.064 0.000 0.975 10 Q CA 1.281 57.122 55.803 0.062 0.000 0.836 10 Q CB -0.682 28.080 28.738 0.040 0.000 0.896 10 Q HN 0.098 nan 8.270 nan 0.000 0.428 11 V N 0.473 120.435 119.914 0.080 0.000 2.358 11 V HA -0.221 3.914 4.120 0.025 0.000 0.246 11 V C 1.909 178.064 176.094 0.102 0.000 1.047 11 V CA 1.577 63.922 62.300 0.075 0.000 1.035 11 V CB -0.556 31.310 31.823 0.072 0.000 0.658 11 V HN 0.321 nan 8.190 nan 0.000 0.452 12 F N 1.700 121.653 119.950 0.005 0.000 2.171 12 F HA -0.134 4.397 4.527 0.006 0.000 0.300 12 F C 2.243 178.045 175.800 0.003 0.000 1.090 12 F CA 1.330 59.332 58.000 0.005 0.000 1.293 12 F CB -0.507 38.495 39.000 0.004 0.000 1.013 12 F HN 0.074 nan 8.300 nan 0.000 0.486 13 A N 0.301 123.081 122.820 -0.066 0.000 1.933 13 A HA -0.010 4.325 4.320 0.025 0.000 0.218 13 A C 2.401 179.889 177.584 -0.159 0.000 1.175 13 A CA 1.659 53.605 52.037 -0.152 0.000 0.628 13 A CB -1.491 17.501 19.000 -0.014 0.000 0.814 13 A HN 0.485 nan 8.150 nan 0.000 0.444 14 A N -0.209 122.557 122.820 -0.090 0.000 1.929 14 A HA 0.018 4.353 4.320 0.025 0.000 0.216 14 A C 2.089 179.618 177.584 -0.091 0.000 1.176 14 A CA 1.308 53.304 52.037 -0.068 0.000 0.628 14 A CB -0.523 18.461 19.000 -0.028 0.000 0.816 14 A HN 0.479 nan 8.150 nan 0.000 0.444 15 I N -0.384 120.115 120.570 -0.118 0.000 2.226 15 I HA -0.203 3.982 4.170 0.025 0.000 0.245 15 I C 2.418 178.426 176.117 -0.182 0.000 1.100 15 I CA 1.179 62.408 61.300 -0.118 0.000 1.374 15 I CB -0.306 37.646 38.000 -0.080 0.000 1.057 15 I HN 0.281 nan 8.210 nan 0.000 0.413 16 E N 0.611 120.604 120.200 -0.345 0.000 2.110 16 E HA -0.243 4.122 4.350 0.025 0.000 0.193 16 E C 2.157 178.649 176.600 -0.180 0.000 0.988 16 E CA 1.194 57.391 56.400 -0.340 0.000 0.804 16 E CB -0.199 29.168 29.700 -0.555 0.000 0.745 16 E HN 0.598 nan 8.360 nan 0.000 0.458 17 Q N 0.179 119.893 119.800 -0.144 0.000 2.079 17 Q HA -0.189 4.166 4.340 0.025 0.000 0.200 17 Q C 2.107 178.080 176.000 -0.045 0.000 0.974 17 Q CA 1.449 57.206 55.803 -0.077 0.000 0.840 17 Q CB -0.051 28.651 28.738 -0.060 0.000 0.898 17 Q HN 0.094 nan 8.270 nan 0.000 0.430 18 E N 1.062 121.235 120.200 -0.045 0.000 2.106 18 E HA -0.184 4.181 4.350 0.025 0.000 0.192 18 E C 1.818 178.421 176.600 0.004 0.000 0.984 18 E CA 1.163 57.556 56.400 -0.012 0.000 0.806 18 E CB -0.034 29.659 29.700 -0.011 0.000 0.750 18 E HN 0.145 nan 8.360 nan 0.000 0.458 19 R N 0.232 120.718 120.500 -0.024 0.000 2.081 19 R HA -0.123 4.232 4.340 0.025 0.000 0.235 19 R C 2.035 178.335 176.300 -0.001 0.000 1.131 19 R CA 1.864 57.955 56.100 -0.015 0.000 0.960 19 R CB -0.047 30.219 30.300 -0.056 0.000 0.856 19 R HN 0.068 nan 8.270 nan 0.000 0.436 20 K N -0.355 120.036 120.400 -0.015 0.000 2.155 20 K HA -0.094 4.241 4.320 0.025 0.000 0.203 20 K C 2.229 178.866 176.600 0.061 0.000 1.052 20 K CA 0.849 57.144 56.287 0.013 0.000 0.948 20 K CB -0.087 32.405 32.500 -0.014 0.000 0.728 20 K HN 0.118 nan 8.250 nan 0.000 0.448 21 R N 1.468 121.994 120.500 0.042 0.000 2.066 21 R HA -0.149 4.205 4.340 0.025 0.000 0.232 21 R C 1.987 178.334 176.300 0.078 0.000 1.131 21 R CA 1.597 57.727 56.100 0.051 0.000 0.955 21 R CB -0.009 30.312 30.300 0.035 0.000 0.851 21 R HN 0.258 nan 8.270 nan 0.000 0.432 22 Q N -1.245 118.616 119.800 0.103 0.000 2.226 22 Q HA -0.228 4.126 4.340 0.025 0.000 0.204 22 Q C 1.827 177.875 176.000 0.079 0.000 0.975 22 Q CA 1.826 57.730 55.803 0.168 0.000 0.866 22 Q CB -0.133 28.755 28.738 0.250 0.000 0.915 22 Q HN 0.526 nan 8.270 nan 0.000 0.440 23 H N -0.323 118.718 119.070 -0.049 0.000 2.384 23 H HA 0.099 4.670 4.556 0.025 0.000 0.300 23 H C 1.807 177.119 175.328 -0.026 0.000 1.057 23 H CA 1.343 57.339 56.048 -0.087 0.000 1.370 23 H CB 0.121 29.837 29.762 -0.078 0.000 1.417 23 H HN 0.211 nan 8.280 nan 0.000 0.527 24 A N 1.102 123.942 122.820 0.033 0.000 1.897 24 A HA 0.037 4.371 4.320 0.025 0.000 0.215 24 A C 1.026 178.603 177.584 -0.012 0.000 1.181 24 A CA 0.529 52.569 52.037 0.004 0.000 0.620 24 A CB -0.015 19.019 19.000 0.056 0.000 0.821 24 A HN 0.167 nan 8.150 nan 0.000 0.443 25 K N -0.069 120.339 120.400 0.013 0.000 2.126 25 K HA 0.429 4.764 4.320 0.025 0.000 0.257 25 K C -0.648 175.959 176.600 0.011 0.000 1.007 25 K CA -0.231 56.069 56.287 0.022 0.000 0.928 25 K CB 0.759 33.281 32.500 0.036 0.000 1.013 25 K HN 0.286 nan 8.250 nan 0.000 0.473 26 I N 2.084 122.663 120.570 0.015 0.000 2.291 26 I HA 0.029 4.213 4.170 0.025 0.000 0.292 26 I C 0.318 176.430 176.117 -0.008 0.000 1.064 26 I CA -0.493 60.802 61.300 -0.009 0.000 1.269 26 I CB 0.571 38.592 38.000 0.034 0.000 1.418 26 I HN 0.377 nan 8.210 nan 0.000 0.485 27 E N 6.893 127.091 120.200 -0.003 0.000 2.052 27 E HA 0.250 4.615 4.350 0.025 0.000 0.283 27 E C -0.025 176.550 176.600 -0.041 0.000 1.071 27 E CA 0.144 56.542 56.400 -0.003 0.000 0.851 27 E CB 0.557 30.275 29.700 0.030 0.000 1.066 27 E HN 0.547 nan 8.360 nan 0.000 0.396 28 L N 5.137 126.340 121.223 -0.032 0.000 3.014 28 L HA 0.359 4.714 4.340 0.025 0.000 0.263 28 L C 0.062 176.919 176.870 -0.021 0.000 1.207 28 L CA -0.313 54.509 54.840 -0.029 0.000 1.017 28 L CB 0.164 42.206 42.059 -0.028 0.000 1.360 28 L HN 0.498 nan 8.230 nan 0.000 0.560 29 I N 0.940 121.497 120.570 -0.021 0.000 2.505 29 I HA -0.004 4.181 4.170 0.025 0.000 0.287 29 I C 1.619 177.759 176.117 0.038 0.000 1.104 29 I CA -0.019 61.282 61.300 0.002 0.000 1.387 29 I CB 1.494 39.492 38.000 -0.004 0.000 1.404 29 I HN 0.170 nan 8.210 nan 0.000 0.528 30 A N 4.592 127.463 122.820 0.085 0.000 2.070 30 A HA -0.157 4.177 4.320 0.025 0.000 0.220 30 A C 2.185 179.968 177.584 0.331 0.000 1.159 30 A CA 1.907 54.057 52.037 0.188 0.000 0.656 30 A CB -0.415 18.644 19.000 0.099 0.000 0.800 30 A HN 0.806 nan 8.150 nan 0.000 0.453 31 S N -0.911 114.939 115.700 0.251 0.000 2.548 31 S HA 0.150 4.634 4.470 0.025 0.000 0.215 31 S C 0.417 175.034 174.600 0.028 0.000 0.976 31 S CA -0.240 58.014 58.200 0.090 0.000 0.908 31 S CB 0.026 63.267 63.200 0.068 0.000 0.781 31 S HN 0.612 nan 8.310 nan 0.000 0.519 32 E N 1.317 121.519 120.200 0.005 0.000 2.248 32 E HA 0.546 4.911 4.350 0.025 0.000 0.272 32 E C -0.752 175.749 176.600 -0.165 0.000 1.008 32 E CA -0.701 55.646 56.400 -0.088 0.000 0.856 32 E CB 0.787 30.399 29.700 -0.147 0.000 1.120 32 E HN 0.162 nan 8.360 nan 0.000 0.397 33 N N 0.590 119.134 118.700 -0.259 0.000 2.927 33 N HA 0.310 5.065 4.740 0.025 0.000 0.248 33 N C -1.915 173.342 175.510 -0.422 0.000 1.443 33 N CA -0.606 52.264 53.050 -0.301 0.000 0.870 33 N CB 0.970 39.434 38.487 -0.038 0.000 1.444 33 N HN 0.201 nan 8.380 nan 0.000 0.519 34 F N 1.023 120.991 119.950 0.030 0.000 2.411 34 F HA 0.360 4.896 4.527 0.017 0.000 0.352 34 F C 0.807 176.606 175.800 -0.001 0.000 1.123 34 F CA -0.842 57.163 58.000 0.009 0.000 1.044 34 F CB 1.045 40.045 39.000 0.001 0.000 1.135 34 F HN 0.105 nan 8.300 nan 0.000 0.461 35 V N 0.614 120.624 119.914 0.160 0.000 2.834 35 V HA 0.585 4.720 4.120 0.025 0.000 0.301 35 V C 0.387 176.522 176.094 0.069 0.000 1.066 35 V CA -0.990 61.357 62.300 0.080 0.000 1.052 35 V CB 0.989 32.837 31.823 0.041 0.000 1.021 35 V HN 0.829 nan 8.190 nan 0.000 0.480 36 S N 3.364 119.081 115.700 0.029 0.000 2.589 36 S HA 0.277 4.762 4.470 0.025 0.000 0.265 36 S C 0.893 175.500 174.600 0.012 0.000 1.342 36 S CA -0.076 58.133 58.200 0.015 0.000 1.005 36 S CB 0.539 63.737 63.200 -0.003 0.000 0.909 36 S HN 0.765 nan 8.310 nan 0.000 0.555 37 R N 0.871 121.376 120.500 0.009 0.000 2.152 37 R HA -0.029 4.325 4.340 0.025 0.000 0.232 37 R C 2.444 178.745 176.300 0.002 0.000 1.117 37 R CA 1.213 57.318 56.100 0.008 0.000 0.981 37 R CB -0.784 29.520 30.300 0.006 0.000 0.870 37 R HN 0.824 nan 8.270 nan 0.000 0.451 38 A N 0.299 123.115 122.820 -0.006 0.000 1.929 38 A HA -0.070 4.265 4.320 0.025 0.000 0.216 38 A C 2.230 179.801 177.584 -0.021 0.000 1.176 38 A CA 1.005 53.034 52.037 -0.013 0.000 0.628 38 A CB -0.284 18.706 19.000 -0.018 0.000 0.816 38 A HN 0.107 nan 8.150 nan 0.000 0.444 39 V N 0.147 120.045 119.914 -0.027 0.000 2.343 39 V HA -0.315 3.820 4.120 0.025 0.000 0.247 39 V C 2.649 178.730 176.094 -0.023 0.000 1.051 39 V CA 2.249 64.524 62.300 -0.041 0.000 1.036 39 V CB -0.699 31.096 31.823 -0.048 0.000 0.654 39 V HN 0.573 nan 8.190 nan 0.000 0.451 40 M N -0.719 118.878 119.600 -0.004 0.000 2.117 40 M HA -0.199 4.296 4.480 0.025 0.000 0.262 40 M C 2.180 178.488 176.300 0.013 0.000 1.065 40 M CA 1.819 57.124 55.300 0.009 0.000 1.114 40 M CB -0.566 32.046 32.600 0.020 0.000 1.361 40 M HN 0.357 nan 8.290 nan 0.000 0.408 41 E N 0.544 120.749 120.200 0.007 0.000 2.153 41 E HA -0.145 4.220 4.350 0.025 0.000 0.194 41 E C 2.070 178.674 176.600 0.007 0.000 0.988 41 E CA 1.184 57.589 56.400 0.008 0.000 0.811 41 E CB -0.111 29.591 29.700 0.003 0.000 0.746 41 E HN 0.505 nan 8.360 nan 0.000 0.466 42 A N 0.889 123.709 122.820 0.001 0.000 1.969 42 A HA -0.191 4.144 4.320 0.025 0.000 0.218 42 A C 1.986 179.591 177.584 0.036 0.000 1.169 42 A CA 1.045 53.084 52.037 0.003 0.000 0.635 42 A CB -0.204 18.783 19.000 -0.022 0.000 0.810 42 A HN 0.155 nan 8.150 nan 0.000 0.445 43 Q N -0.965 118.858 119.800 0.039 0.000 2.230 43 Q HA -0.046 4.308 4.340 0.025 0.000 0.202 43 Q C 1.432 177.507 176.000 0.124 0.000 0.963 43 Q CA 0.849 56.713 55.803 0.102 0.000 0.866 43 Q CB -0.121 28.651 28.738 0.056 0.000 0.931 43 Q HN 0.632 nan 8.270 nan 0.000 0.452 44 G N 0.970 109.800 108.800 0.050 0.000 3.591 44 G HA2 0.119 4.094 3.960 0.025 0.000 0.282 44 G HA3 0.119 4.094 3.960 0.025 0.000 0.282 44 G C 0.040 174.933 174.900 -0.012 0.000 1.238 44 G CA -0.145 44.962 45.100 0.013 0.000 0.993 44 G HN 0.195 nan 8.290 nan 0.000 0.542 45 S N -1.073 114.624 115.700 -0.006 0.000 2.745 45 S HA 0.376 4.861 4.470 0.025 0.000 0.292 45 S C 1.405 175.968 174.600 -0.062 0.000 1.133 45 S CA -0.003 58.184 58.200 -0.022 0.000 0.998 45 S CB 1.485 64.688 63.200 0.003 0.000 1.087 45 S HN 0.517 nan 8.310 nan 0.000 0.551 46 V N -1.096 118.785 119.914 -0.056 0.000 3.444 46 V HA 0.094 4.228 4.120 0.025 0.000 0.271 46 V C 1.516 177.572 176.094 -0.063 0.000 1.188 46 V CA 0.735 62.992 62.300 -0.071 0.000 1.168 46 V CB -1.402 30.388 31.823 -0.055 0.000 0.810 46 V HN 0.665 nan 8.190 nan 0.000 0.500 47 L N 0.990 122.193 121.223 -0.033 0.000 2.456 47 L HA -0.040 4.315 4.340 0.025 0.000 0.224 47 L C 2.675 179.538 176.870 -0.011 0.000 1.148 47 L CA 2.176 57.022 54.840 0.010 0.000 0.825 47 L CB -1.176 40.924 42.059 0.068 0.000 0.937 47 L HN 0.528 nan 8.230 nan 0.000 0.450 48 T N -1.511 112.931 114.554 -0.188 0.000 3.035 48 T HA -0.108 4.257 4.350 0.025 0.000 0.268 48 T C 1.583 176.174 174.700 -0.182 0.000 1.109 48 T CA 1.402 63.294 62.100 -0.346 0.000 1.119 48 T CB -0.347 68.048 68.868 -0.788 0.000 0.900 48 T HN 0.502 nan 8.240 nan 0.000 0.503 49 N N -0.035 118.595 118.700 -0.118 0.000 2.457 49 N HA 0.025 4.780 4.740 0.025 0.000 0.180 49 N C 0.421 175.914 175.510 -0.028 0.000 1.050 49 N CA 0.297 53.307 53.050 -0.067 0.000 0.906 49 N CB 0.140 38.598 38.487 -0.047 0.000 0.968 49 N HN 0.120 nan 8.380 nan 0.000 0.445 50 K N 0.720 121.102 120.400 -0.030 0.000 2.234 50 K HA 0.156 4.491 4.320 0.025 0.000 0.277 50 K C -1.512 175.074 176.600 -0.024 0.000 1.038 50 K CA -0.454 55.839 56.287 0.008 0.000 0.888 50 K CB 0.263 32.777 32.500 0.022 0.000 1.091 50 K HN -0.059 nan 8.250 nan 0.000 0.467 51 Y N 2.508 122.797 120.300 -0.018 0.000 2.436 51 Y HA 0.322 4.891 4.550 0.031 0.000 0.343 51 Y C 0.399 176.266 175.900 -0.054 0.000 1.008 51 Y CA 0.193 58.272 58.100 -0.036 0.000 1.241 51 Y CB 1.206 39.648 38.460 -0.031 0.000 1.153 51 Y HN 0.713 nan 8.280 nan 0.000 0.521 52 A N 4.547 127.392 122.820 0.042 0.000 3.105 52 A HA 0.272 4.607 4.320 0.025 0.000 0.297 52 A C -0.108 177.394 177.584 -0.136 0.000 0.977 52 A CA -0.600 51.420 52.037 -0.028 0.000 1.020 52 A CB -0.385 18.582 19.000 -0.056 0.000 1.098 52 A HN 0.775 nan 8.150 nan 0.000 0.497 53 E N 0.474 120.597 120.200 -0.129 0.000 2.417 53 E HA 0.388 4.753 4.350 0.025 0.000 0.261 53 E C 1.001 177.402 176.600 -0.332 0.000 1.000 53 E CA 1.320 57.416 56.400 -0.507 0.000 0.919 53 E CB 0.548 29.946 29.700 -0.504 0.000 0.955 53 E HN 0.930 nan 8.360 nan 0.000 0.455 54 G N 2.390 110.850 108.800 -0.566 0.000 2.384 54 G HA2 -0.192 3.783 3.960 0.025 0.000 0.200 54 G HA3 -0.192 3.783 3.960 0.025 0.000 0.200 54 G C -1.538 173.093 174.900 -0.447 0.000 1.205 54 G CA -0.811 44.256 45.100 -0.055 0.000 1.116 54 G HN 0.444 nan 8.290 nan 0.000 0.547 55 Y N -0.118 120.223 120.300 0.067 0.000 2.609 55 Y HA 0.590 5.155 4.550 0.026 0.000 0.342 55 Y C -2.123 173.787 175.900 0.016 0.000 1.058 55 Y CA -1.859 56.272 58.100 0.051 0.000 1.055 55 Y CB 2.148 40.665 38.460 0.095 0.000 1.292 55 Y HN 0.392 nan 8.280 nan 0.000 0.476 56 P HA 0.033 nan 4.420 nan 0.000 0.255 56 P C 0.678 178.017 177.300 0.065 0.000 1.173 56 P CA 2.355 65.508 63.100 0.088 0.000 0.780 56 P CB 0.006 31.761 31.700 0.091 0.000 0.758 57 G N 3.926 112.739 108.800 0.020 0.000 2.420 57 G HA2 -0.249 3.726 3.960 0.025 0.000 0.221 57 G HA3 -0.249 3.726 3.960 0.025 0.000 0.221 57 G C 0.575 175.463 174.900 -0.020 0.000 1.117 57 G CA -0.478 44.620 45.100 -0.002 0.000 0.657 57 G HN 0.506 nan 8.290 nan 0.000 0.512 58 R N 1.515 122.016 120.500 0.002 0.000 3.863 58 R HA 0.343 4.697 4.340 0.025 0.000 0.304 58 R C 0.417 176.635 176.300 -0.138 0.000 1.485 58 R CA -0.299 55.768 56.100 -0.055 0.000 1.355 58 R CB 0.141 30.450 30.300 0.015 0.000 1.457 58 R HN 0.339 nan 8.270 nan 0.000 0.669 59 R N 0.190 120.605 120.500 -0.141 0.000 2.528 59 R HA 0.172 4.527 4.340 0.025 0.000 0.271 59 R C 0.358 176.507 176.300 -0.253 0.000 1.056 59 R CA -0.347 55.672 56.100 -0.134 0.000 1.117 59 R CB 0.446 30.712 30.300 -0.056 0.000 1.085 59 R HN 0.239 nan 8.270 nan 0.000 0.530 60 Y N -0.588 119.717 120.300 0.008 0.000 2.625 60 Y HA 0.413 4.977 4.550 0.023 0.000 0.285 60 Y C 0.472 176.373 175.900 0.002 0.000 1.168 60 Y CA -0.137 57.981 58.100 0.031 0.000 1.250 60 Y CB 0.728 39.237 38.460 0.082 0.000 1.130 60 Y HN 0.584 nan 8.280 nan 0.000 0.526 61 A N -0.654 122.210 122.820 0.075 0.000 2.604 61 A HA 0.717 5.052 4.320 0.025 0.000 0.295 61 A C -0.089 177.501 177.584 0.010 0.000 1.067 61 A CA -0.350 51.713 52.037 0.044 0.000 0.683 61 A CB 0.289 19.320 19.000 0.052 0.000 1.281 61 A HN 0.237 nan 8.150 nan 0.000 0.407 62 G N -0.812 107.991 108.800 0.005 0.000 2.504 62 G HA2 0.576 4.551 3.960 0.025 0.000 0.288 62 G HA3 0.576 4.551 3.960 0.025 0.000 0.288 62 G C 1.069 175.962 174.900 -0.010 0.000 1.182 62 G CA 0.068 45.161 45.100 -0.012 0.000 0.894 62 G HN 2.461 nan 8.290 nan 0.000 0.521 63 G N -1.820 106.960 108.800 -0.032 0.000 2.136 63 G HA2 -0.283 3.692 3.960 0.025 0.000 0.242 63 G HA3 -0.283 3.692 3.960 0.025 0.000 0.242 63 G C 0.886 175.760 174.900 -0.042 0.000 0.989 63 G CA 0.485 45.566 45.100 -0.032 0.000 0.682 63 G HN 0.932 nan 8.290 nan 0.000 0.522 64 C N 0.514 119.778 119.300 -0.061 0.000 2.673 64 C HA 0.333 4.808 4.460 0.025 0.000 0.274 64 C C 2.276 177.201 174.990 -0.110 0.000 1.276 64 C CA 0.465 59.452 59.018 -0.052 0.000 1.701 64 C CB -0.607 27.113 27.740 -0.034 0.000 1.836 64 C HN 0.652 nan 8.230 nan 0.000 0.596 65 E N 0.804 120.858 120.200 -0.243 0.000 2.114 65 E HA -0.227 4.138 4.350 0.025 0.000 0.199 65 E C 1.126 177.510 176.600 -0.360 0.000 1.008 65 E CA 1.884 58.046 56.400 -0.397 0.000 0.810 65 E CB -0.263 29.022 29.700 -0.691 0.000 0.739 65 E HN 0.809 nan 8.360 nan 0.000 0.456 66 Y N -0.921 119.381 120.300 0.004 0.000 2.436 66 Y HA 0.016 4.581 4.550 0.025 0.000 0.288 66 Y C 2.221 178.124 175.900 0.004 0.000 1.112 66 Y CA 0.292 58.395 58.100 0.004 0.000 1.220 66 Y CB 0.036 38.497 38.460 0.001 0.000 1.073 66 Y HN 0.014 nan 8.280 nan 0.000 0.552 67 V N -2.322 117.665 119.914 0.122 0.000 2.809 67 V HA -0.149 3.985 4.120 0.025 0.000 0.256 67 V C 1.307 177.426 176.094 0.042 0.000 1.080 67 V CA 1.767 64.109 62.300 0.070 0.000 1.102 67 V CB -0.396 31.454 31.823 0.045 0.000 0.705 67 V HN 0.145 nan 8.190 nan 0.000 0.475 68 D N 1.289 121.704 120.400 0.025 0.000 2.097 68 D HA -0.090 4.565 4.640 0.025 0.000 0.195 68 D C 2.058 178.382 176.300 0.040 0.000 0.989 68 D CA 2.033 56.046 54.000 0.022 0.000 0.827 68 D CB -0.312 40.486 40.800 -0.004 0.000 0.966 68 D HN 0.533 nan 8.370 nan 0.000 0.456 69 I N 0.238 120.839 120.570 0.051 0.000 2.163 69 I HA -0.254 3.931 4.170 0.025 0.000 0.243 69 I C 2.428 178.580 176.117 0.059 0.000 1.085 69 I CA 0.658 61.996 61.300 0.062 0.000 1.347 69 I CB -0.380 37.676 38.000 0.093 0.000 1.044 69 I HN -0.094 nan 8.210 nan 0.000 0.408 70 V N 0.747 120.698 119.914 0.062 0.000 2.255 70 V HA -0.342 3.793 4.120 0.025 0.000 0.247 70 V C 2.547 178.671 176.094 0.049 0.000 1.051 70 V CA 2.383 64.712 62.300 0.049 0.000 1.018 70 V CB -0.640 31.209 31.823 0.043 0.000 0.641 70 V HN 0.496 nan 8.190 nan 0.000 0.445 71 E N -0.456 119.774 120.200 0.049 0.000 2.077 71 E HA -0.224 4.140 4.350 0.025 0.000 0.193 71 E C 2.287 178.929 176.600 0.071 0.000 0.989 71 E CA 1.156 57.591 56.400 0.059 0.000 0.800 71 E CB -0.035 29.699 29.700 0.055 0.000 0.746 71 E HN 0.561 nan 8.360 nan 0.000 0.452 72 E N 0.477 120.714 120.200 0.062 0.000 2.110 72 E HA -0.189 4.176 4.350 0.025 0.000 0.193 72 E C 2.299 178.931 176.600 0.053 0.000 0.988 72 E CA 0.738 57.170 56.400 0.054 0.000 0.804 72 E CB -0.152 29.576 29.700 0.046 0.000 0.745 72 E HN 0.390 nan 8.360 nan 0.000 0.458 73 L N 0.380 121.638 121.223 0.058 0.000 2.046 73 L HA -0.183 4.171 4.340 0.025 0.000 0.208 73 L C 2.545 179.477 176.870 0.104 0.000 1.077 73 L CA 1.166 56.044 54.840 0.063 0.000 0.747 73 L CB -0.426 41.665 42.059 0.053 0.000 0.896 73 L HN 0.073 nan 8.230 nan 0.000 0.432 74 A N -0.115 122.785 122.820 0.133 0.000 1.898 74 A HA -0.173 4.162 4.320 0.025 0.000 0.216 74 A C 2.379 180.090 177.584 0.211 0.000 1.181 74 A CA 1.282 53.478 52.037 0.267 0.000 0.620 74 A CB -0.384 18.750 19.000 0.225 0.000 0.819 74 A HN 0.306 nan 8.150 nan 0.000 0.442 75 R N -0.583 119.971 120.500 0.091 0.000 2.075 75 R HA -0.068 4.287 4.340 0.025 0.000 0.232 75 R C 1.960 178.237 176.300 -0.039 0.000 1.126 75 R CA 1.274 57.372 56.100 -0.003 0.000 0.963 75 R CB -0.255 30.033 30.300 -0.019 0.000 0.858 75 R HN 0.450 nan 8.270 nan 0.000 0.435 76 E N 0.618 120.815 120.200 -0.004 0.000 2.152 76 E HA -0.113 4.251 4.350 0.025 0.000 0.192 76 E C 1.998 178.579 176.600 -0.031 0.000 0.983 76 E CA 0.935 57.327 56.400 -0.015 0.000 0.818 76 E CB -0.056 29.646 29.700 0.005 0.000 0.758 76 E HN 0.283 nan 8.360 nan 0.000 0.467 77 R N 0.508 121.002 120.500 -0.011 0.000 2.092 77 R HA -0.003 4.352 4.340 0.025 0.000 0.231 77 R C 2.301 178.500 176.300 -0.169 0.000 1.119 77 R CA 1.145 57.226 56.100 -0.030 0.000 0.970 77 R CB -0.237 30.117 30.300 0.090 0.000 0.864 77 R HN 0.091 nan 8.270 nan 0.000 0.440 78 A N 1.348 123.990 122.820 -0.297 0.000 1.930 78 A HA -0.171 4.163 4.320 0.025 0.000 0.217 78 A C 1.858 179.360 177.584 -0.137 0.000 1.175 78 A CA 1.317 53.095 52.037 -0.431 0.000 0.627 78 A CB -0.178 18.475 19.000 -0.579 0.000 0.815 78 A HN 0.176 nan 8.150 nan 0.000 0.443 79 K N -0.719 119.619 120.400 -0.102 0.000 2.097 79 K HA -0.152 4.183 4.320 0.025 0.000 0.205 79 K C 2.341 178.912 176.600 -0.048 0.000 1.050 79 K CA 1.464 57.725 56.287 -0.044 0.000 0.938 79 K CB -0.132 32.344 32.500 -0.040 0.000 0.718 79 K HN 0.635 nan 8.250 nan 0.000 0.442 80 Q N 0.537 120.290 119.800 -0.078 0.000 2.167 80 Q HA -0.137 4.217 4.340 0.025 0.000 0.202 80 Q C 1.997 177.914 176.000 -0.137 0.000 0.970 80 Q CA 0.913 56.667 55.803 -0.082 0.000 0.855 80 Q CB 0.122 28.819 28.738 -0.069 0.000 0.911 80 Q HN 0.171 nan 8.270 nan 0.000 0.438 81 L N -0.771 120.305 121.223 -0.244 0.000 2.095 81 L HA -0.019 4.335 4.340 0.025 0.000 0.204 81 L C 1.095 177.628 176.870 -0.562 0.000 1.080 81 L CA 1.671 56.225 54.840 -0.476 0.000 0.759 81 L CB -0.065 41.545 42.059 -0.750 0.000 0.914 81 L HN 0.187 nan 8.230 nan 0.000 0.439 82 F N -0.745 119.150 119.950 -0.092 0.000 2.706 82 F HA 0.439 4.979 4.527 0.022 0.000 0.308 82 F C 1.652 177.422 175.800 -0.050 0.000 1.095 82 F CA 0.207 58.168 58.000 -0.066 0.000 1.244 82 F CB -0.167 38.776 39.000 -0.095 0.000 1.063 82 F HN 0.067 nan 8.300 nan 0.000 0.582 83 G N 1.281 110.125 108.800 0.074 0.000 2.198 83 G HA2 -0.070 3.904 3.960 0.025 0.000 0.257 83 G HA3 -0.070 3.904 3.960 0.025 0.000 0.257 83 G C 0.175 175.096 174.900 0.035 0.000 1.042 83 G CA 0.016 45.138 45.100 0.037 0.000 0.791 83 G HN 0.643 nan 8.290 nan 0.000 0.502 84 A N -0.823 122.024 122.820 0.045 0.000 2.293 84 A HA 0.791 5.126 4.320 0.025 0.000 0.302 84 A C 0.991 178.588 177.584 0.022 0.000 1.119 84 A CA 0.408 52.461 52.037 0.027 0.000 0.823 84 A CB 0.671 19.683 19.000 0.021 0.000 1.097 84 A HN 0.388 nan 8.150 nan 0.000 0.491 85 E N -0.248 119.972 120.200 0.034 0.000 2.230 85 E HA -0.021 4.343 4.350 0.025 0.000 0.192 85 E C 0.232 176.899 176.600 0.112 0.000 0.987 85 E CA 0.735 57.164 56.400 0.049 0.000 0.841 85 E CB 0.134 29.854 29.700 0.033 0.000 0.783 85 E HN 0.679 nan 8.360 nan 0.000 0.481 86 H N -1.141 117.928 119.070 -0.002 0.000 2.996 86 H HA 0.606 5.178 4.556 0.026 0.000 0.368 86 H C -1.865 173.467 175.328 0.006 0.000 1.185 86 H CA -0.610 55.440 56.048 0.002 0.000 1.160 86 H CB 1.993 31.761 29.762 0.009 0.000 1.820 86 H HN 0.018 nan 8.280 nan 0.000 0.547 87 A N 3.677 126.091 122.820 -0.676 0.000 2.435 87 A HA 0.351 4.686 4.320 0.025 0.000 0.304 87 A C -1.130 176.159 177.584 -0.492 0.000 1.064 87 A CA -0.880 50.907 52.037 -0.417 0.000 0.727 87 A CB 1.727 20.590 19.000 -0.227 0.000 1.284 87 A HN 0.669 nan 8.150 nan 0.000 0.415 88 N N 1.747 120.349 118.700 -0.163 0.000 2.491 88 N HA 0.323 5.078 4.740 0.025 0.000 0.274 88 N C -0.113 175.425 175.510 0.048 0.000 1.023 88 N CA -0.140 52.914 53.050 0.007 0.000 0.902 88 N CB 1.935 40.497 38.487 0.125 0.000 1.267 88 N HN 0.757 nan 8.380 nan 0.000 0.503 89 V N 1.233 121.195 119.914 0.080 0.000 3.342 89 V HA 0.251 4.386 4.120 0.025 0.000 0.322 89 V C 1.210 177.335 176.094 0.052 0.000 1.370 89 V CA 0.238 62.596 62.300 0.098 0.000 1.170 89 V CB 0.017 31.938 31.823 0.163 0.000 1.101 89 V HN 0.530 nan 8.190 nan 0.000 0.442 90 Q N 0.529 120.348 119.800 0.031 0.000 2.402 90 Q HA 0.192 4.546 4.340 0.025 0.000 0.206 90 Q C -1.642 174.254 176.000 -0.173 0.000 0.919 90 Q CA -0.552 55.212 55.803 -0.064 0.000 0.923 90 Q CB -0.562 28.131 28.738 -0.075 0.000 1.048 90 Q HN 0.554 nan 8.270 nan 0.000 0.515 91 P HA -0.104 nan 4.420 nan 0.000 0.263 91 P C -0.103 177.126 177.300 -0.118 0.000 1.195 91 P CA 0.601 63.613 63.100 -0.148 0.000 0.762 91 P CB 0.405 32.075 31.700 -0.051 0.000 0.799 92 H N 0.523 119.581 119.070 -0.020 0.000 2.489 92 H HA -0.000 4.570 4.556 0.023 0.000 0.293 92 H C 0.998 176.317 175.328 -0.015 0.000 1.066 92 H CA 1.159 57.187 56.048 -0.033 0.000 1.305 92 H CB 0.087 29.824 29.762 -0.041 0.000 1.386 92 H HN 0.492 nan 8.280 nan 0.000 0.551 93 S N -2.597 113.164 115.700 0.101 0.000 2.643 93 S HA 0.436 4.920 4.470 0.025 0.000 0.270 93 S C 1.298 175.936 174.600 0.062 0.000 1.166 93 S CA -0.403 57.853 58.200 0.093 0.000 0.815 93 S CB 1.276 64.529 63.200 0.088 0.000 1.139 93 S HN 0.092 nan 8.310 nan 0.000 0.472 94 G N 0.446 109.286 108.800 0.066 0.000 2.422 94 G HA2 0.159 4.134 3.960 0.025 0.000 0.218 94 G HA3 0.159 4.134 3.960 0.025 0.000 0.218 94 G C 1.453 176.378 174.900 0.041 0.000 1.140 94 G CA 0.948 46.053 45.100 0.009 0.000 0.775 94 G HN 1.265 nan 8.290 nan 0.000 0.545 95 A N 0.270 123.148 122.820 0.098 0.000 1.902 95 A HA -0.085 4.249 4.320 0.025 0.000 0.217 95 A C 2.354 179.998 177.584 0.099 0.000 1.181 95 A CA 2.111 54.255 52.037 0.178 0.000 0.623 95 A CB -0.339 18.778 19.000 0.194 0.000 0.818 95 A HN 0.344 nan 8.150 nan 0.000 0.443 96 Q N -0.649 119.162 119.800 0.020 0.000 2.230 96 Q HA 0.180 4.535 4.340 0.025 0.000 0.202 96 Q C 2.231 178.204 176.000 -0.045 0.000 0.963 96 Q CA 1.364 57.140 55.803 -0.045 0.000 0.866 96 Q CB -0.557 28.160 28.738 -0.035 0.000 0.931 96 Q HN 0.643 nan 8.270 nan 0.000 0.452 97 A N 0.728 123.532 122.820 -0.028 0.000 1.877 97 A HA -0.213 4.122 4.320 0.025 0.000 0.216 97 A C 1.769 179.295 177.584 -0.097 0.000 1.186 97 A CA 1.699 53.708 52.037 -0.048 0.000 0.620 97 A CB -0.545 18.432 19.000 -0.039 0.000 0.822 97 A HN 0.325 nan 8.150 nan 0.000 0.443 98 N N -0.587 118.059 118.700 -0.091 0.000 2.120 98 N HA -0.145 4.610 4.740 0.025 0.000 0.188 98 N C 1.713 176.997 175.510 -0.376 0.000 1.024 98 N CA 1.669 54.555 53.050 -0.274 0.000 0.852 98 N CB -0.510 37.933 38.487 -0.074 0.000 1.003 98 N HN 0.623 nan 8.380 nan 0.000 0.424 99 M N 0.429 120.055 119.600 0.044 0.000 2.108 99 M HA -0.126 4.369 4.480 0.025 0.000 0.261 99 M C 1.796 178.174 176.300 0.130 0.000 1.066 99 M CA 1.568 56.990 55.300 0.203 0.000 1.107 99 M CB 0.001 32.498 32.600 -0.172 0.000 1.356 99 M HN 0.189 nan 8.290 nan 0.000 0.406 100 A N -0.623 122.193 122.820 -0.006 0.000 1.930 100 A HA -0.086 4.249 4.320 0.025 0.000 0.217 100 A C 2.000 179.584 177.584 -0.001 0.000 1.175 100 A CA 1.633 53.683 52.037 0.022 0.000 0.627 100 A CB -0.957 18.035 19.000 -0.014 0.000 0.815 100 A HN 0.411 nan 8.150 nan 0.000 0.443 101 V N -1.023 118.780 119.914 -0.186 0.000 2.358 101 V HA -0.257 3.878 4.120 0.025 0.000 0.246 101 V C 2.417 178.329 176.094 -0.303 0.000 1.047 101 V CA 1.818 63.867 62.300 -0.418 0.000 1.035 101 V CB -1.115 30.377 31.823 -0.550 0.000 0.658 101 V HN 0.632 nan 8.190 nan 0.000 0.452 102 Y N -0.894 119.346 120.300 -0.100 0.000 2.207 102 Y HA -0.201 4.364 4.550 0.026 0.000 0.287 102 Y C 2.259 178.175 175.900 0.026 0.000 1.156 102 Y CA 0.971 58.991 58.100 -0.134 0.000 1.182 102 Y CB -1.138 37.344 38.460 0.037 0.000 0.979 102 Y HN 0.279 nan 8.280 nan 0.000 0.521 103 F N 0.522 120.584 119.950 0.186 0.000 2.293 103 F HA -0.182 4.361 4.527 0.026 0.000 0.300 103 F C 2.134 177.951 175.800 0.029 0.000 1.086 103 F CA 1.693 59.783 58.000 0.149 0.000 1.375 103 F CB -0.340 38.725 39.000 0.109 0.000 1.045 103 F HN -0.054 nan 8.300 nan 0.000 0.516 104 T N -0.505 114.054 114.554 0.009 0.000 2.732 104 T HA -0.113 4.252 4.350 0.025 0.000 0.261 104 T C 1.946 176.525 174.700 -0.203 0.000 1.040 104 T CA 1.970 64.001 62.100 -0.116 0.000 1.145 104 T CB -0.548 68.191 68.868 -0.215 0.000 0.866 104 T HN 0.215 nan 8.240 nan 0.000 0.427 105 V N -1.435 118.297 119.914 -0.303 0.000 3.660 105 V HA 0.482 4.616 4.120 0.025 0.000 0.276 105 V C 0.314 176.312 176.094 -0.160 0.000 1.317 105 V CA -0.067 62.043 62.300 -0.315 0.000 1.097 105 V CB -0.642 30.799 31.823 -0.637 0.000 0.863 105 V HN 0.232 nan 8.190 nan 0.000 0.438 106 L N 0.745 121.890 121.223 -0.131 0.000 2.362 106 L HA 0.654 5.009 4.340 0.025 0.000 0.271 106 L C -0.152 176.761 176.870 0.071 0.000 1.002 106 L CA -0.533 54.273 54.840 -0.056 0.000 0.818 106 L CB 2.198 44.110 42.059 -0.245 0.000 1.298 106 L HN 0.093 nan 8.230 nan 0.000 0.420 107 E N -0.490 119.768 120.200 0.097 0.000 2.280 107 E HA 0.201 4.566 4.350 0.025 0.000 0.264 107 E C -0.872 175.864 176.600 0.227 0.000 1.064 107 E CA -0.821 55.652 56.400 0.121 0.000 0.900 107 E CB 0.926 30.667 29.700 0.069 0.000 1.123 107 E HN 0.446 nan 8.360 nan 0.000 0.418 108 H N -0.275 118.831 119.070 0.059 0.000 2.964 108 H HA 0.171 4.741 4.556 0.024 0.000 0.328 108 H C 0.980 176.314 175.328 0.010 0.000 1.030 108 H CA 1.586 57.616 56.048 -0.029 0.000 1.445 108 H CB 0.193 29.919 29.762 -0.060 0.000 1.449 108 H HN 0.657 nan 8.280 nan 0.000 0.581 109 G N 3.749 112.233 108.800 -0.527 0.000 2.176 109 G HA2 -0.267 3.707 3.960 0.025 0.000 0.253 109 G HA3 -0.267 3.707 3.960 0.025 0.000 0.253 109 G C -0.060 174.780 174.900 -0.100 0.000 0.979 109 G CA 0.089 44.983 45.100 -0.343 0.000 0.641 109 G HN 0.719 nan 8.290 nan 0.000 0.530 110 D N 1.284 121.690 120.400 0.011 0.000 2.399 110 D HA 0.423 5.078 4.640 0.025 0.000 0.241 110 D C 0.834 177.084 176.300 -0.084 0.000 1.133 110 D CA 0.679 54.675 54.000 -0.007 0.000 0.890 110 D CB 0.791 41.597 40.800 0.010 0.000 1.201 110 D HN 0.111 nan 8.370 nan 0.000 0.432 111 T N 1.431 115.920 114.554 -0.110 0.000 2.814 111 T HA 0.365 4.730 4.350 0.025 0.000 0.297 111 T C 0.077 174.609 174.700 -0.280 0.000 0.956 111 T CA -0.486 61.513 62.100 -0.169 0.000 1.123 111 T CB 0.654 69.472 68.868 -0.084 0.000 0.902 111 T HN -0.001 nan 8.240 nan 0.000 0.528 112 V N 4.364 123.970 119.914 -0.513 0.000 2.656 112 V HA 0.490 4.625 4.120 0.025 0.000 0.307 112 V C -0.604 175.156 176.094 -0.558 0.000 1.051 112 V CA -1.061 60.821 62.300 -0.697 0.000 0.893 112 V CB 1.969 32.960 31.823 -1.387 0.000 0.999 112 V HN 0.668 nan 8.190 nan 0.000 0.426 113 L N 4.155 125.250 121.223 -0.213 0.000 2.280 113 L HA 0.919 5.274 4.340 0.025 0.000 0.287 113 L C 0.317 177.293 176.870 0.177 0.000 1.023 113 L CA 0.546 55.404 54.840 0.030 0.000 0.819 113 L CB 0.739 42.895 42.059 0.163 0.000 1.212 113 L HN 0.804 nan 8.230 nan 0.000 0.420 114 G N 4.046 112.945 108.800 0.165 0.000 2.714 114 G HA2 0.447 4.422 3.960 0.025 0.000 0.292 114 G HA3 0.447 4.422 3.960 0.025 0.000 0.292 114 G C -1.110 173.449 174.900 -0.568 0.000 1.308 114 G CA -0.944 44.190 45.100 0.056 0.000 0.964 114 G HN 0.618 nan 8.290 nan 0.000 0.484 115 M N 1.468 120.653 119.600 -0.691 0.000 2.228 115 M HA 0.158 4.653 4.480 0.025 0.000 0.351 115 M C 0.477 176.501 176.300 -0.459 0.000 1.233 115 M CA -0.647 54.096 55.300 -0.927 0.000 1.129 115 M CB 0.453 32.819 32.600 -0.389 0.000 1.604 115 M HN 0.565 nan 8.290 nan 0.000 0.457 116 N N 3.530 121.946 118.700 -0.474 0.000 2.357 116 N HA -0.063 4.691 4.740 0.025 0.000 0.257 116 N C 0.434 175.817 175.510 -0.211 0.000 1.250 116 N CA 0.237 53.063 53.050 -0.374 0.000 0.862 116 N CB 0.649 38.733 38.487 -0.671 0.000 1.066 116 N HN 0.690 nan 8.380 nan 0.000 0.468 117 L N 2.884 124.000 121.223 -0.178 0.000 2.141 117 L HA -0.144 4.211 4.340 0.025 0.000 0.209 117 L C 2.275 179.099 176.870 -0.076 0.000 1.094 117 L CA 1.251 56.017 54.840 -0.124 0.000 0.763 117 L CB -0.486 41.477 42.059 -0.159 0.000 0.908 117 L HN 0.693 nan 8.230 nan 0.000 0.437 118 S N -2.844 112.821 115.700 -0.058 0.000 2.562 118 S HA -0.030 4.454 4.470 0.025 0.000 0.221 118 S C 1.540 176.211 174.600 0.119 0.000 0.975 118 S CA 0.223 58.430 58.200 0.012 0.000 0.918 118 S CB -0.609 62.599 63.200 0.012 0.000 0.772 118 S HN 0.551 nan 8.310 nan 0.000 0.531 119 H N 0.012 119.007 119.070 -0.126 0.000 2.622 119 H HA 0.339 4.910 4.556 0.024 0.000 0.269 119 H C 1.580 176.903 175.328 -0.009 0.000 0.977 119 H CA 0.182 56.178 56.048 -0.087 0.000 1.179 119 H CB 0.739 30.428 29.762 -0.120 0.000 1.458 119 H HN 0.620 nan 8.280 nan 0.000 0.531 120 G N 0.396 109.253 108.800 0.094 0.000 2.977 120 G HA2 -0.179 3.796 3.960 0.025 0.000 0.211 120 G HA3 -0.179 3.796 3.960 0.025 0.000 0.211 120 G C 0.754 175.700 174.900 0.076 0.000 0.994 120 G CA -0.315 44.839 45.100 0.091 0.000 0.795 120 G HN 0.505 nan 8.290 nan 0.000 0.518 121 G N 0.009 108.836 108.800 0.044 0.000 2.614 121 G HA2 0.424 4.399 3.960 0.025 0.000 0.239 121 G HA3 0.424 4.399 3.960 0.025 0.000 0.239 121 G C -0.114 174.832 174.900 0.077 0.000 1.240 121 G CA 0.299 45.460 45.100 0.100 0.000 0.842 121 G HN 0.495 nan 8.290 nan 0.000 0.584 122 H N 1.063 120.100 119.070 -0.055 0.000 2.488 122 H HA 0.143 4.714 4.556 0.025 0.000 0.347 122 H C 1.385 176.501 175.328 -0.353 0.000 1.174 122 H CA -0.884 54.971 56.048 -0.321 0.000 1.307 122 H CB 1.614 31.019 29.762 -0.595 0.000 1.517 122 H HN 0.307 nan 8.280 nan 0.000 0.554 123 L N 2.731 123.268 121.223 -1.142 0.000 2.081 123 L HA -0.206 4.148 4.340 0.025 0.000 0.212 123 L C 2.326 178.828 176.870 -0.614 0.000 1.080 123 L CA 2.491 56.852 54.840 -0.797 0.000 0.754 123 L CB -0.613 41.004 42.059 -0.737 0.000 0.893 123 L HN 0.846 nan 8.230 nan 0.000 0.433 124 T N -5.052 109.160 114.554 -0.569 0.000 3.194 124 T HA -0.038 4.327 4.350 0.025 0.000 0.251 124 T C 0.894 175.502 174.700 -0.153 0.000 1.132 124 T CA 0.573 62.553 62.100 -0.201 0.000 1.028 124 T CB -0.906 68.098 68.868 0.227 0.000 0.976 124 T HN 0.589 nan 8.240 nan 0.000 0.535 125 H N 0.655 119.561 119.070 -0.273 0.000 2.550 125 H HA 0.503 5.074 4.556 0.025 0.000 0.304 125 H C 1.322 176.065 175.328 -0.976 0.000 1.086 125 H CA -0.437 55.388 56.048 -0.371 0.000 1.089 125 H CB 0.144 29.863 29.762 -0.071 0.000 1.528 125 H HN 0.505 nan 8.280 nan 0.000 0.539 126 G N 0.882 108.937 108.800 -1.243 0.000 2.157 126 G HA2 -0.254 3.721 3.960 0.025 0.000 0.118 126 G HA3 -0.254 3.721 3.960 0.025 0.000 0.118 126 G C -0.010 174.557 174.900 -0.554 0.000 1.032 126 G CA -0.127 44.182 45.100 -1.318 0.000 0.697 126 G HN 0.345 nan 8.290 nan 0.000 0.495 127 S N 1.106 116.531 115.700 -0.459 0.000 2.531 127 S HA 0.495 4.980 4.470 0.025 0.000 0.279 127 S C 0.044 174.514 174.600 -0.216 0.000 1.305 127 S CA -0.409 57.619 58.200 -0.287 0.000 1.058 127 S CB 1.164 64.206 63.200 -0.265 0.000 0.899 127 S HN 0.184 nan 8.310 nan 0.000 0.493 128 P HA -0.030 nan 4.420 nan 0.000 0.230 128 P C 0.971 178.236 177.300 -0.059 0.000 1.158 128 P CA 0.763 63.811 63.100 -0.087 0.000 0.769 128 P CB -0.236 31.429 31.700 -0.059 0.000 0.807 129 V N -4.444 115.432 119.914 -0.062 0.000 3.578 129 V HA 0.279 4.414 4.120 0.025 0.000 0.290 129 V C 0.748 176.827 176.094 -0.025 0.000 1.376 129 V CA -0.445 61.839 62.300 -0.027 0.000 1.083 129 V CB -0.922 30.898 31.823 -0.005 0.000 0.911 129 V HN 0.017 nan 8.190 nan 0.000 0.433 130 N N 0.565 119.221 118.700 -0.074 0.000 2.443 130 N HA 0.252 5.007 4.740 0.025 0.000 0.293 130 N C 0.998 176.475 175.510 -0.055 0.000 1.159 130 N CA -0.155 52.861 53.050 -0.057 0.000 0.904 130 N CB 2.175 40.552 38.487 -0.184 0.000 1.214 130 N HN 0.199 nan 8.380 nan 0.000 0.513 131 F N 2.008 121.962 119.950 0.007 0.000 2.154 131 F HA -0.184 4.358 4.527 0.025 0.000 0.301 131 F C 2.283 178.115 175.800 0.053 0.000 1.087 131 F CA 1.525 59.548 58.000 0.038 0.000 1.274 131 F CB -0.974 38.076 39.000 0.083 0.000 1.009 131 F HN 0.431 nan 8.300 nan 0.000 0.485 132 S N 0.459 115.576 115.700 -0.973 0.000 2.356 132 S HA -0.035 4.449 4.470 0.025 0.000 0.223 132 S C 2.295 176.780 174.600 -0.193 0.000 1.032 132 S CA 0.902 58.725 58.200 -0.629 0.000 1.005 132 S CB -1.652 60.994 63.200 -0.923 0.000 0.867 132 S HN 0.558 nan 8.310 nan 0.000 0.449 133 G N 0.623 109.242 108.800 -0.301 0.000 2.484 133 G HA2 0.061 4.036 3.960 0.025 0.000 0.218 133 G HA3 0.061 4.036 3.960 0.025 0.000 0.218 133 G C 1.324 176.197 174.900 -0.044 0.000 1.130 133 G CA 0.753 45.778 45.100 -0.125 0.000 0.784 133 G HN 0.481 nan 8.290 nan 0.000 0.543 134 V N 0.011 119.891 119.914 -0.058 0.000 2.500 134 V HA -0.071 4.064 4.120 0.025 0.000 0.243 134 V C 2.592 178.655 176.094 -0.053 0.000 1.039 134 V CA 1.862 64.148 62.300 -0.023 0.000 1.053 134 V CB 0.050 31.884 31.823 0.018 0.000 0.695 134 V HN 0.389 nan 8.190 nan 0.000 0.463 135 Q N -0.448 119.277 119.800 -0.125 0.000 2.123 135 Q HA -0.025 4.330 4.340 0.025 0.000 0.199 135 Q C -0.035 175.544 176.000 -0.702 0.000 0.966 135 Q CA 1.366 56.952 55.803 -0.361 0.000 0.845 135 Q CB 0.061 28.492 28.738 -0.512 0.000 0.907 135 Q HN 0.657 nan 8.270 nan 0.000 0.439 136 Y N -0.746 119.518 120.300 -0.060 0.000 2.562 136 Y HA 0.381 4.945 4.550 0.024 0.000 0.343 136 Y C -0.526 175.324 175.900 -0.083 0.000 1.025 136 Y CA -1.824 56.196 58.100 -0.133 0.000 1.082 136 Y CB 0.873 39.221 38.460 -0.186 0.000 1.264 136 Y HN -0.141 nan 8.280 nan 0.000 0.478 137 N N 1.548 120.241 118.700 -0.012 0.000 2.508 137 N HA 0.185 4.940 4.740 0.025 0.000 0.253 137 N C -1.744 173.696 175.510 -0.116 0.000 1.145 137 N CA 0.007 53.025 53.050 -0.053 0.000 0.973 137 N CB -0.299 38.137 38.487 -0.085 0.000 1.305 137 N HN 0.429 nan 8.380 nan 0.000 0.506 138 F N 2.886 122.764 119.950 -0.121 0.000 2.420 138 F HA 0.257 4.799 4.527 0.025 0.000 0.352 138 F C 0.522 176.216 175.800 -0.177 0.000 1.108 138 F CA -0.534 57.379 58.000 -0.145 0.000 1.162 138 F CB 0.865 39.775 39.000 -0.149 0.000 1.118 138 F HN 0.132 nan 8.300 nan 0.000 0.510 139 V N 1.314 121.177 119.914 -0.084 0.000 2.769 139 V HA 0.949 5.084 4.120 0.025 0.000 0.312 139 V C -0.388 175.671 176.094 -0.058 0.000 1.058 139 V CA -1.092 61.104 62.300 -0.173 0.000 0.952 139 V CB 1.293 32.824 31.823 -0.487 0.000 1.019 139 V HN 0.841 nan 8.190 nan 0.000 0.445 140 A N 3.178 125.945 122.820 -0.087 0.000 2.337 140 A HA 0.898 5.233 4.320 0.025 0.000 0.329 140 A C -0.820 176.722 177.584 -0.070 0.000 1.146 140 A CA -0.692 51.259 52.037 -0.143 0.000 0.800 140 A CB 1.105 19.979 19.000 -0.211 0.000 1.220 140 A HN 1.436 nan 8.150 nan 0.000 0.472 141 Y N 0.257 120.542 120.300 -0.027 0.000 2.496 141 Y HA 0.845 5.410 4.550 0.024 0.000 0.331 141 Y C 0.459 176.307 175.900 -0.086 0.000 1.140 141 Y CA -0.884 57.196 58.100 -0.034 0.000 1.166 141 Y CB 0.880 39.336 38.460 -0.008 0.000 1.249 141 Y HN 0.782 nan 8.280 nan 0.000 0.479 142 G N 0.241 109.143 108.800 0.170 0.000 3.140 142 G HA2 0.618 4.593 3.960 0.025 0.000 0.271 142 G HA3 0.618 4.593 3.960 0.025 0.000 0.271 142 G C -1.115 173.975 174.900 0.317 0.000 1.370 142 G CA -0.622 44.576 45.100 0.162 0.000 1.014 142 G HN 1.120 nan 8.290 nan 0.000 0.541 143 V N -2.281 117.920 119.914 0.477 0.000 2.975 143 V HA 0.564 4.698 4.120 0.025 0.000 0.318 143 V C -0.100 176.193 176.094 0.331 0.000 1.077 143 V CA -1.132 61.354 62.300 0.310 0.000 1.000 143 V CB 1.842 33.845 31.823 0.300 0.000 1.066 143 V HN 0.654 nan 8.190 nan 0.000 0.452 144 D N 2.447 122.968 120.400 0.202 0.000 2.458 144 D HA 0.174 4.828 4.640 0.025 0.000 0.243 144 D C -1.752 174.581 176.300 0.055 0.000 1.146 144 D CA -1.126 52.940 54.000 0.110 0.000 0.877 144 D CB 2.026 42.845 40.800 0.031 0.000 1.176 144 D HN 0.404 nan 8.370 nan 0.000 0.461 145 P HA -0.093 nan 4.420 nan 0.000 0.219 145 P C 0.619 177.722 177.300 -0.329 0.000 1.146 145 P CA 1.008 63.902 63.100 -0.343 0.000 0.808 145 P CB 0.487 31.828 31.700 -0.598 0.000 0.779 146 E N -1.522 118.486 120.200 -0.320 0.000 2.099 146 E HA -0.047 4.318 4.350 0.025 0.000 0.191 146 E C 1.979 178.263 176.600 -0.527 0.000 0.962 146 E CA 1.500 57.691 56.400 -0.349 0.000 0.826 146 E CB -0.957 28.635 29.700 -0.180 0.000 0.788 146 E HN 0.245 nan 8.360 nan 0.000 0.461 147 T N -3.186 111.148 114.554 -0.366 0.000 3.051 147 T HA 0.001 4.366 4.350 0.025 0.000 0.255 147 T C 0.151 174.764 174.700 -0.145 0.000 1.085 147 T CA 0.762 62.733 62.100 -0.216 0.000 1.109 147 T CB -0.311 68.522 68.868 -0.057 0.000 0.921 147 T HN 0.331 nan 8.240 nan 0.000 0.488 148 H N -0.767 118.353 119.070 0.084 0.000 3.047 148 H HA -0.100 4.471 4.556 0.025 0.000 0.263 148 H C -0.400 175.055 175.328 0.212 0.000 1.168 148 H CA 0.265 56.387 56.048 0.122 0.000 1.152 148 H CB -2.466 27.340 29.762 0.074 0.000 1.278 148 H HN 0.355 nan 8.280 nan 0.000 0.339 149 V N 1.416 121.483 119.914 0.255 0.000 2.509 149 V HA 0.145 4.280 4.120 0.025 0.000 0.284 149 V C 1.328 177.568 176.094 0.244 0.000 1.047 149 V CA -0.526 61.971 62.300 0.328 0.000 0.952 149 V CB 1.378 33.334 31.823 0.222 0.000 0.988 149 V HN 0.216 nan 8.190 nan 0.000 0.469 150 I N 3.757 124.433 120.570 0.176 0.000 2.919 150 I HA -0.086 4.098 4.170 0.025 0.000 0.299 150 I C 0.755 176.697 176.117 -0.291 0.000 1.221 150 I CA 0.607 61.795 61.300 -0.187 0.000 1.424 150 I CB 0.005 37.667 38.000 -0.564 0.000 1.358 150 I HN 0.637 nan 8.210 nan 0.000 0.551 151 D N 7.161 127.473 120.400 -0.146 0.000 2.374 151 D HA 0.008 4.663 4.640 0.025 0.000 0.240 151 D C 0.583 176.750 176.300 -0.222 0.000 1.229 151 D CA 0.065 54.015 54.000 -0.084 0.000 0.895 151 D CB 0.405 41.223 40.800 0.031 0.000 1.046 151 D HN 0.350 nan 8.370 nan 0.000 0.498 152 Y N 1.512 121.734 120.300 -0.131 0.000 2.439 152 Y HA -0.082 4.482 4.550 0.024 0.000 0.292 152 Y C 1.983 177.763 175.900 -0.201 0.000 1.130 152 Y CA 0.467 58.412 58.100 -0.259 0.000 1.254 152 Y CB 0.293 38.595 38.460 -0.264 0.000 1.000 152 Y HN 0.377 nan 8.280 nan 0.000 0.554 153 D N -0.184 120.223 120.400 0.012 0.000 2.183 153 D HA -0.157 4.498 4.640 0.025 0.000 0.203 153 D C 1.531 177.818 176.300 -0.022 0.000 0.969 153 D CA 1.316 55.312 54.000 -0.008 0.000 0.842 153 D CB -0.153 40.652 40.800 0.008 0.000 0.957 153 D HN 0.411 nan 8.370 nan 0.000 0.484 154 D N 0.304 120.689 120.400 -0.023 0.000 2.149 154 D HA -0.109 4.546 4.640 0.025 0.000 0.201 154 D C 2.089 178.381 176.300 -0.014 0.000 0.972 154 D CA 0.509 54.513 54.000 0.007 0.000 0.835 154 D CB 0.206 41.037 40.800 0.052 0.000 0.966 154 D HN -0.101 nan 8.370 nan 0.000 0.476 155 V N 0.481 120.308 119.914 -0.145 0.000 2.332 155 V HA -0.204 3.931 4.120 0.025 0.000 0.248 155 V C 2.620 178.634 176.094 -0.133 0.000 1.055 155 V CA 1.904 64.045 62.300 -0.264 0.000 1.038 155 V CB -0.607 30.782 31.823 -0.722 0.000 0.651 155 V HN 0.219 nan 8.190 nan 0.000 0.450 156 R N -0.113 120.320 120.500 -0.112 0.000 2.073 156 R HA -0.175 4.180 4.340 0.025 0.000 0.229 156 R C 2.420 178.704 176.300 -0.027 0.000 1.120 156 R CA 1.760 57.822 56.100 -0.063 0.000 0.967 156 R CB -0.146 30.120 30.300 -0.057 0.000 0.862 156 R HN 0.683 nan 8.270 nan 0.000 0.436 157 E N 0.210 120.400 120.200 -0.017 0.000 2.072 157 E HA -0.164 4.200 4.350 0.025 0.000 0.191 157 E C 1.528 178.125 176.600 -0.005 0.000 0.985 157 E CA 0.946 57.339 56.400 -0.012 0.000 0.801 157 E CB 0.246 29.944 29.700 -0.004 0.000 0.750 157 E HN 0.101 nan 8.360 nan 0.000 0.452 158 K N 0.223 120.653 120.400 0.051 0.000 2.097 158 K HA -0.081 4.254 4.320 0.025 0.000 0.205 158 K C 2.016 178.704 176.600 0.148 0.000 1.050 158 K CA 1.014 57.391 56.287 0.149 0.000 0.938 158 K CB -0.254 32.392 32.500 0.243 0.000 0.718 158 K HN 0.179 nan 8.250 nan 0.000 0.442 159 A N 1.445 124.316 122.820 0.085 0.000 1.898 159 A HA -0.122 4.212 4.320 0.025 0.000 0.216 159 A C 2.156 179.756 177.584 0.027 0.000 1.181 159 A CA 1.084 53.162 52.037 0.068 0.000 0.620 159 A CB -0.294 18.732 19.000 0.044 0.000 0.819 159 A HN 0.228 nan 8.150 nan 0.000 0.442 160 R N -1.347 119.150 120.500 -0.005 0.000 2.189 160 R HA 0.044 4.398 4.340 0.025 0.000 0.218 160 R C 1.914 178.180 176.300 -0.057 0.000 1.074 160 R CA 1.007 57.092 56.100 -0.025 0.000 0.991 160 R CB -0.252 30.032 30.300 -0.028 0.000 0.883 160 R HN 0.490 nan 8.270 nan 0.000 0.457 161 L N -0.441 120.715 121.223 -0.113 0.000 2.130 161 L HA -0.015 4.339 4.340 0.025 0.000 0.200 161 L C 1.783 178.507 176.870 -0.243 0.000 1.075 161 L CA 1.701 56.403 54.840 -0.231 0.000 0.768 161 L CB -0.161 41.659 42.059 -0.400 0.000 0.933 161 L HN 0.133 nan 8.230 nan 0.000 0.451 162 H N 0.143 119.212 119.070 -0.001 0.000 2.551 162 H HA 0.222 4.793 4.556 0.025 0.000 0.266 162 H C -0.002 175.316 175.328 -0.015 0.000 0.964 162 H CA 0.091 56.133 56.048 -0.009 0.000 1.180 162 H CB 0.175 29.931 29.762 -0.009 0.000 1.408 162 H HN 0.130 nan 8.280 nan 0.000 0.563 163 R N 0.724 121.268 120.500 0.073 0.000 3.059 163 R HA -0.106 4.249 4.340 0.025 0.000 0.251 163 R C -2.641 173.678 176.300 0.032 0.000 0.886 163 R CA -0.024 56.098 56.100 0.037 0.000 0.634 163 R CB -2.127 28.183 30.300 0.016 0.000 1.282 163 R HN 0.431 nan 8.270 nan 0.000 0.487 164 P HA 0.134 nan 4.420 nan 0.000 0.277 164 P C 0.526 177.821 177.300 -0.008 0.000 1.240 164 P CA -0.402 62.692 63.100 -0.010 0.000 0.798 164 P CB 0.953 32.645 31.700 -0.014 0.000 0.979 165 K N 0.422 120.805 120.400 -0.028 0.000 2.243 165 K HA 0.049 4.384 4.320 0.025 0.000 0.201 165 K C 0.366 177.013 176.600 0.078 0.000 1.051 165 K CA 0.510 56.809 56.287 0.019 0.000 0.970 165 K CB 0.015 32.523 32.500 0.013 0.000 0.755 165 K HN 0.313 nan 8.250 nan 0.000 0.465 166 L N 0.756 121.986 121.223 0.011 0.000 2.422 166 L HA 0.471 4.826 4.340 0.025 0.000 0.264 166 L C -1.596 175.301 176.870 0.044 0.000 0.984 166 L CA -0.612 54.267 54.840 0.065 0.000 0.819 166 L CB 1.957 44.013 42.059 -0.006 0.000 1.330 166 L HN -0.089 nan 8.230 nan 0.000 0.410 167 I N 4.762 125.417 120.570 0.142 0.000 2.406 167 I HA 0.493 4.677 4.170 0.025 0.000 0.290 167 I C -0.846 175.381 176.117 0.183 0.000 0.999 167 I CA -0.925 60.485 61.300 0.184 0.000 1.124 167 I CB 1.968 40.121 38.000 0.255 0.000 1.289 167 I HN 0.254 nan 8.210 nan 0.000 0.441 168 V N 5.496 125.513 119.914 0.172 0.000 2.435 168 V HA 0.749 4.884 4.120 0.025 0.000 0.290 168 V C 0.269 176.349 176.094 -0.023 0.000 1.030 168 V CA -0.435 61.902 62.300 0.062 0.000 0.881 168 V CB 1.411 33.260 31.823 0.043 0.000 0.983 168 V HN 0.835 nan 8.190 nan 0.000 0.445 169 A N 3.837 126.530 122.820 -0.211 0.000 2.384 169 A HA 1.058 5.393 4.320 0.025 0.000 0.312 169 A C 0.016 177.491 177.584 -0.181 0.000 1.113 169 A CA -0.055 51.725 52.037 -0.428 0.000 0.779 169 A CB 1.590 20.021 19.000 -0.949 0.000 1.307 169 A HN 2.544 nan 8.150 nan 0.000 0.436 170 A N -1.151 121.620 122.820 -0.082 0.000 2.439 170 A HA 0.548 4.882 4.320 0.025 0.000 0.686 170 A C -0.166 177.500 177.584 0.136 0.000 0.142 170 A CA 0.058 52.143 52.037 0.080 0.000 0.028 170 A CB -1.610 17.466 19.000 0.127 0.000 3.973 170 A HN 2.973 nan 8.150 nan 0.000 0.548 171 A N -0.806 122.142 122.820 0.213 0.000 2.588 171 A HA 0.896 5.231 4.320 0.025 0.000 0.290 171 A C 0.670 178.371 177.584 0.195 0.000 1.136 171 A CA 0.640 52.812 52.037 0.226 0.000 0.681 171 A CB 0.749 19.849 19.000 0.168 0.000 1.282 171 A HN 1.997 nan 8.150 nan 0.000 0.421 172 S N -0.681 115.099 115.700 0.133 0.000 2.492 172 S HA 0.393 4.878 4.470 0.025 0.000 0.218 172 S C 0.820 175.278 174.600 -0.238 0.000 1.016 172 S CA 0.872 59.082 58.200 0.015 0.000 0.916 172 S CB 0.504 63.806 63.200 0.172 0.000 0.791 172 S HN 1.664 nan 8.310 nan 0.000 0.513 173 A N 0.750 123.525 122.820 -0.075 0.000 3.234 173 A HA 0.499 4.834 4.320 0.025 0.000 0.247 173 A C -0.981 176.626 177.584 0.038 0.000 0.938 173 A CA -0.314 51.671 52.037 -0.086 0.000 1.039 173 A CB 0.046 19.010 19.000 -0.061 0.000 1.197 173 A HN 0.325 nan 8.150 nan 0.000 0.498 174 Y N 1.933 122.183 120.300 -0.084 0.000 2.345 174 Y HA 0.519 5.083 4.550 0.024 0.000 0.331 174 Y C -2.164 173.721 175.900 -0.025 0.000 0.959 174 Y CA -2.284 55.806 58.100 -0.017 0.000 1.204 174 Y CB 2.122 40.613 38.460 0.051 0.000 1.135 174 Y HN 0.283 nan 8.280 nan 0.000 0.477 175 P HA 0.055 nan 4.420 nan 0.000 0.245 175 P C -0.109 176.982 177.300 -0.350 0.000 1.212 175 P CA 0.677 63.586 63.100 -0.318 0.000 0.774 175 P CB 0.474 32.030 31.700 -0.240 0.000 0.999 176 R N -0.110 119.974 120.500 -0.693 0.000 2.856 176 R HA 0.495 4.850 4.340 0.025 0.000 0.258 176 R C 0.452 176.744 176.300 -0.014 0.000 1.066 176 R CA -1.447 54.419 56.100 -0.390 0.000 1.045 176 R CB 0.501 30.545 30.300 -0.427 0.000 1.178 176 R HN 0.024 nan 8.270 nan 0.000 0.499 177 I N 2.082 122.708 120.570 0.093 0.000 2.496 177 I HA 0.107 4.292 4.170 0.025 0.000 0.285 177 I C 0.395 176.637 176.117 0.208 0.000 1.080 177 I CA 0.056 61.440 61.300 0.139 0.000 1.404 177 I CB 0.443 38.343 38.000 -0.167 0.000 1.403 177 I HN 0.242 nan 8.210 nan 0.000 0.539 178 I N 5.715 126.397 120.570 0.187 0.000 2.342 178 I HA 0.083 4.268 4.170 0.025 0.000 0.291 178 I C 0.318 176.142 176.117 -0.489 0.000 1.010 178 I CA -0.239 61.030 61.300 -0.052 0.000 1.308 178 I CB 0.610 38.483 38.000 -0.211 0.000 1.400 178 I HN 0.467 nan 8.210 nan 0.000 0.488 179 D N 6.610 126.946 120.400 -0.106 0.000 2.435 179 D HA 0.098 4.753 4.640 0.025 0.000 0.230 179 D C 0.740 176.978 176.300 -0.102 0.000 1.215 179 D CA 0.152 54.000 54.000 -0.253 0.000 0.947 179 D CB 0.319 40.849 40.800 -0.450 0.000 1.048 179 D HN 0.366 nan 8.370 nan 0.000 0.512 180 F N 1.702 121.657 119.950 0.007 0.000 2.325 180 F HA -0.045 4.497 4.527 0.025 0.000 0.299 180 F C 2.482 178.144 175.800 -0.229 0.000 1.090 180 F CA 0.372 58.356 58.000 -0.026 0.000 1.392 180 F CB -0.022 38.924 39.000 -0.089 0.000 1.053 180 F HN 0.425 nan 8.300 nan 0.000 0.521 181 A N 0.569 123.136 122.820 -0.422 0.000 1.933 181 A HA -0.184 4.151 4.320 0.025 0.000 0.218 181 A C 2.187 179.716 177.584 -0.091 0.000 1.175 181 A CA 1.491 53.301 52.037 -0.378 0.000 0.628 181 A CB -0.481 18.297 19.000 -0.370 0.000 0.814 181 A HN 0.299 nan 8.150 nan 0.000 0.444 182 K N -1.658 118.654 120.400 -0.147 0.000 2.103 182 K HA -0.008 4.327 4.320 0.025 0.000 0.204 182 K C 1.596 178.153 176.600 -0.073 0.000 1.052 182 K CA 1.161 57.340 56.287 -0.181 0.000 0.945 182 K CB -0.266 31.948 32.500 -0.477 0.000 0.722 182 K HN 0.462 nan 8.250 nan 0.000 0.443 183 F N 1.193 121.163 119.950 0.033 0.000 2.171 183 F HA -0.156 4.387 4.527 0.026 0.000 0.300 183 F C 2.570 178.423 175.800 0.088 0.000 1.090 183 F CA 1.203 59.254 58.000 0.085 0.000 1.293 183 F CB -0.062 39.029 39.000 0.151 0.000 1.013 183 F HN -0.084 nan 8.300 nan 0.000 0.486 184 R N 0.822 121.490 120.500 0.279 0.000 2.090 184 R HA -0.132 4.223 4.340 0.025 0.000 0.228 184 R C 2.024 178.406 176.300 0.138 0.000 1.110 184 R CA 1.654 57.880 56.100 0.210 0.000 0.973 184 R CB -0.704 29.738 30.300 0.237 0.000 0.869 184 R HN 0.374 nan 8.270 nan 0.000 0.440 185 E N -0.209 120.047 120.200 0.094 0.000 2.077 185 E HA -0.169 4.196 4.350 0.025 0.000 0.193 185 E C 1.823 178.440 176.600 0.029 0.000 0.989 185 E CA 1.582 58.009 56.400 0.046 0.000 0.800 185 E CB -0.104 29.599 29.700 0.005 0.000 0.746 185 E HN 0.418 nan 8.360 nan 0.000 0.452 186 I N 0.658 121.237 120.570 0.015 0.000 2.252 186 I HA -0.218 3.966 4.170 0.025 0.000 0.245 186 I C 2.514 178.656 176.117 0.042 0.000 1.102 186 I CA 0.929 62.228 61.300 -0.001 0.000 1.385 186 I CB -0.236 37.725 38.000 -0.066 0.000 1.064 186 I HN 0.152 nan 8.210 nan 0.000 0.414 187 A N 0.333 123.209 122.820 0.094 0.000 1.933 187 A HA -0.227 4.108 4.320 0.025 0.000 0.218 187 A C 1.899 179.532 177.584 0.082 0.000 1.175 187 A CA 1.968 54.074 52.037 0.115 0.000 0.628 187 A CB -0.524 18.592 19.000 0.192 0.000 0.814 187 A HN 0.326 nan 8.150 nan 0.000 0.444 188 D N -0.789 119.659 120.400 0.081 0.000 2.219 188 D HA -0.099 4.555 4.640 0.025 0.000 0.205 188 D C 1.835 178.151 176.300 0.027 0.000 0.970 188 D CA 1.161 55.195 54.000 0.057 0.000 0.851 188 D CB -0.196 40.641 40.800 0.062 0.000 0.943 188 D HN 0.729 nan 8.370 nan 0.000 0.488 189 E N 0.305 120.519 120.200 0.023 0.000 2.107 189 E HA -0.110 4.255 4.350 0.025 0.000 0.191 189 E C 1.787 178.389 176.600 0.003 0.000 0.982 189 E CA 0.837 57.242 56.400 0.009 0.000 0.809 189 E CB 0.378 30.080 29.700 0.003 0.000 0.756 189 E HN 0.197 nan 8.360 nan 0.000 0.459 190 V N -3.042 116.877 119.914 0.008 0.000 3.647 190 V HA 0.390 4.525 4.120 0.025 0.000 0.279 190 V C 1.018 177.106 176.094 -0.010 0.000 1.314 190 V CA 0.404 62.706 62.300 0.002 0.000 1.125 190 V CB -0.035 31.795 31.823 0.012 0.000 0.907 190 V HN 0.262 nan 8.190 nan 0.000 0.434 191 G N 0.320 109.110 108.800 -0.018 0.000 2.298 191 G HA2 0.082 4.057 3.960 0.025 0.000 0.287 191 G HA3 0.082 4.057 3.960 0.025 0.000 0.287 191 G C 0.092 174.929 174.900 -0.105 0.000 1.075 191 G CA 0.420 45.485 45.100 -0.058 0.000 0.960 191 G HN 1.674 nan 8.290 nan 0.000 0.502 192 A N -0.449 122.329 122.820 -0.070 0.000 2.356 192 A HA 0.861 5.196 4.320 0.025 0.000 0.323 192 A C -0.169 177.376 177.584 -0.066 0.000 1.119 192 A CA -0.919 51.078 52.037 -0.066 0.000 0.790 192 A CB 1.055 20.078 19.000 0.037 0.000 1.273 192 A HN 0.606 nan 8.150 nan 0.000 0.452 193 Y N 0.011 120.329 120.300 0.031 0.000 2.397 193 Y HA 0.376 4.941 4.550 0.025 0.000 0.335 193 Y C 0.285 176.341 175.900 0.260 0.000 1.213 193 Y CA 0.272 58.410 58.100 0.063 0.000 1.391 193 Y CB 0.769 39.240 38.460 0.019 0.000 1.293 193 Y HN 0.538 nan 8.280 nan 0.000 0.557 194 L N 5.248 126.858 121.223 0.645 0.000 2.298 194 L HA 0.494 4.849 4.340 0.025 0.000 0.284 194 L C -0.792 176.268 176.870 0.316 0.000 1.013 194 L CA -0.728 54.341 54.840 0.380 0.000 0.824 194 L CB 0.937 43.165 42.059 0.281 0.000 1.221 194 L HN 0.730 nan 8.230 nan 0.000 0.418 195 M N 5.824 125.560 119.600 0.227 0.000 2.294 195 M HA 0.604 5.099 4.480 0.025 0.000 0.335 195 M C -1.701 174.615 176.300 0.026 0.000 1.079 195 M CA -0.632 54.763 55.300 0.157 0.000 0.982 195 M CB 1.572 34.249 32.600 0.129 0.000 1.651 195 M HN 0.418 nan 8.290 nan 0.000 0.437 196 V N 4.325 124.218 119.914 -0.036 0.000 2.409 196 V HA 0.255 4.389 4.120 0.025 0.000 0.291 196 V C -0.625 175.412 176.094 -0.094 0.000 1.020 196 V CA -0.608 61.622 62.300 -0.117 0.000 0.848 196 V CB 1.537 33.180 31.823 -0.300 0.000 0.990 196 V HN 0.774 nan 8.190 nan 0.000 0.430 197 D N 5.667 126.040 120.400 -0.045 0.000 2.524 197 D HA 0.204 4.858 4.640 0.025 0.000 0.222 197 D C 0.989 177.295 176.300 0.010 0.000 1.142 197 D CA -0.459 53.548 54.000 0.011 0.000 0.973 197 D CB 0.898 41.805 40.800 0.178 0.000 1.025 197 D HN 0.622 nan 8.370 nan 0.000 0.519 198 M N 0.876 120.434 119.600 -0.070 0.000 2.639 198 M HA 0.275 4.770 4.480 0.025 0.000 0.220 198 M C 1.456 177.719 176.300 -0.062 0.000 1.155 198 M CA -0.171 55.090 55.300 -0.065 0.000 1.003 198 M CB 0.388 32.895 32.600 -0.155 0.000 1.725 198 M HN 0.107 nan 8.290 nan 0.000 0.489 199 A N 1.225 124.003 122.820 -0.070 0.000 1.915 199 A HA -0.247 4.088 4.320 0.025 0.000 0.220 199 A C 2.071 179.548 177.584 -0.179 0.000 1.198 199 A CA 2.185 54.130 52.037 -0.154 0.000 0.647 199 A CB -1.278 17.600 19.000 -0.204 0.000 0.825 199 A HN 0.759 nan 8.150 nan 0.000 0.456 200 H N -0.608 118.422 119.070 -0.067 0.000 2.403 200 H HA 0.011 4.583 4.556 0.027 0.000 0.298 200 H C 1.947 177.152 175.328 -0.205 0.000 1.059 200 H CA 1.707 57.721 56.048 -0.057 0.000 1.363 200 H CB -0.046 29.817 29.762 0.168 0.000 1.410 200 H HN 0.718 nan 8.280 nan 0.000 0.528 201 I N -1.996 118.582 120.570 0.014 0.000 3.875 201 I HA 0.310 4.495 4.170 0.025 0.000 0.329 201 I C 2.296 178.411 176.117 -0.003 0.000 1.295 201 I CA 0.262 61.530 61.300 -0.054 0.000 1.129 201 I CB 0.060 37.962 38.000 -0.165 0.000 1.008 201 I HN -0.088 nan 8.210 nan 0.000 0.413 202 A N 2.280 125.103 122.820 0.005 0.000 1.892 202 A HA -0.115 4.220 4.320 0.025 0.000 0.218 202 A C 2.377 180.151 177.584 0.317 0.000 1.188 202 A CA 2.138 54.240 52.037 0.109 0.000 0.631 202 A CB -1.512 17.511 19.000 0.038 0.000 0.822 202 A HN 0.534 nan 8.150 nan 0.000 0.447 203 G N -0.554 108.401 108.800 0.258 0.000 2.422 203 G HA2 -0.046 3.929 3.960 0.025 0.000 0.218 203 G HA3 -0.046 3.929 3.960 0.025 0.000 0.218 203 G C 1.484 176.568 174.900 0.306 0.000 1.140 203 G CA 0.952 46.297 45.100 0.409 0.000 0.775 203 G HN 0.465 nan 8.290 nan 0.000 0.545 204 L N 0.231 121.557 121.223 0.172 0.000 2.179 204 L HA 0.023 4.378 4.340 0.025 0.000 0.208 204 L C 2.810 179.819 176.870 0.233 0.000 1.096 204 L CA 0.095 55.028 54.840 0.154 0.000 0.779 204 L CB -0.420 41.721 42.059 0.138 0.000 0.922 204 L HN 0.036 nan 8.230 nan 0.000 0.443 205 V N 0.482 120.567 119.914 0.284 0.000 2.358 205 V HA -0.217 3.918 4.120 0.025 0.000 0.246 205 V C 2.803 179.077 176.094 0.299 0.000 1.047 205 V CA 1.747 64.251 62.300 0.340 0.000 1.035 205 V CB -0.757 31.287 31.823 0.369 0.000 0.658 205 V HN 0.456 nan 8.190 nan 0.000 0.452 206 A N -0.161 122.832 122.820 0.287 0.000 2.019 206 A HA -0.006 4.329 4.320 0.025 0.000 0.219 206 A C 2.210 179.850 177.584 0.093 0.000 1.164 206 A CA 1.852 53.888 52.037 -0.002 0.000 0.644 206 A CB -0.451 18.491 19.000 -0.098 0.000 0.805 206 A HN 0.579 nan 8.150 nan 0.000 0.449 207 A N -2.028 120.907 122.820 0.191 0.000 2.238 207 A HA 0.440 4.774 4.320 0.025 0.000 0.210 207 A C 1.645 179.296 177.584 0.112 0.000 1.179 207 A CA 1.087 53.218 52.037 0.157 0.000 0.827 207 A CB -0.656 18.419 19.000 0.126 0.000 0.856 207 A HN 1.863 nan 8.150 nan 0.000 0.488 208 G N -0.813 108.065 108.800 0.130 0.000 2.171 208 G HA2 -0.212 3.763 3.960 0.025 0.000 0.238 208 G HA3 -0.212 3.763 3.960 0.025 0.000 0.238 208 G C 0.450 175.418 174.900 0.114 0.000 1.039 208 G CA 0.470 45.643 45.100 0.121 0.000 0.759 208 G HN 0.525 nan 8.290 nan 0.000 0.501 209 L N -0.763 120.541 121.223 0.135 0.000 2.638 209 L HA 0.393 4.748 4.340 0.025 0.000 0.232 209 L C 0.968 177.936 176.870 0.164 0.000 1.099 209 L CA -0.255 54.654 54.840 0.115 0.000 0.883 209 L CB 0.342 42.452 42.059 0.085 0.000 1.136 209 L HN 0.378 nan 8.230 nan 0.000 0.492 210 H N 1.062 120.211 119.070 0.132 0.000 2.589 210 H HA 0.359 4.930 4.556 0.025 0.000 0.351 210 H C -2.565 172.891 175.328 0.213 0.000 1.074 210 H CA -1.991 54.157 56.048 0.168 0.000 1.203 210 H CB 2.541 32.424 29.762 0.202 0.000 1.558 210 H HN -0.243 nan 8.280 nan 0.000 0.522 211 P HA -0.119 nan 4.420 nan 0.000 0.263 211 P C -0.126 177.488 177.300 0.523 0.000 1.175 211 P CA 0.366 63.634 63.100 0.280 0.000 0.761 211 P CB 0.423 32.217 31.700 0.157 0.000 0.794 212 N N 4.610 123.536 118.700 0.376 0.000 2.442 212 N HA 0.067 4.822 4.740 0.025 0.000 0.265 212 N C -1.384 174.262 175.510 0.228 0.000 1.138 212 N CA -2.008 51.212 53.050 0.283 0.000 0.956 212 N CB 0.437 39.057 38.487 0.222 0.000 1.067 212 N HN 0.249 nan 8.380 nan 0.000 0.474 213 P HA -0.054 nan 4.420 nan 0.000 0.229 213 P C 1.369 178.603 177.300 -0.110 0.000 1.160 213 P CA 0.344 63.170 63.100 -0.457 0.000 0.777 213 P CB 0.542 31.543 31.700 -1.166 0.000 0.814 214 V N 2.013 121.885 119.914 -0.070 0.000 2.282 214 V HA -0.174 3.960 4.120 0.025 0.000 0.249 214 V C -0.276 175.774 176.094 -0.074 0.000 1.057 214 V CA 2.682 64.946 62.300 -0.061 0.000 1.032 214 V CB -2.505 29.308 31.823 -0.016 0.000 0.645 214 V HN 0.208 nan 8.190 nan 0.000 0.447 215 P HA -0.085 nan 4.420 nan 0.000 0.230 215 P C 0.750 177.801 177.300 -0.416 0.000 1.158 215 P CA 1.362 64.286 63.100 -0.292 0.000 0.769 215 P CB -0.060 31.376 31.700 -0.440 0.000 0.807 216 Y N -1.247 119.021 120.300 -0.053 0.000 2.558 216 Y HA 0.430 4.994 4.550 0.024 0.000 0.273 216 Y C 1.408 177.233 175.900 -0.125 0.000 1.100 216 Y CA -0.265 57.809 58.100 -0.043 0.000 1.276 216 Y CB -0.372 38.128 38.460 0.067 0.000 1.196 216 Y HN -0.220 nan 8.280 nan 0.000 0.527 217 A N -0.360 122.452 122.820 -0.014 0.000 2.303 217 A HA 0.349 4.684 4.320 0.025 0.000 0.317 217 A C -0.088 177.377 177.584 -0.199 0.000 1.149 217 A CA -0.363 51.621 52.037 -0.089 0.000 0.822 217 A CB 0.274 19.233 19.000 -0.069 0.000 1.131 217 A HN 0.482 nan 8.150 nan 0.000 0.493 218 H N 0.396 119.420 119.070 -0.076 0.000 2.436 218 H HA 0.168 4.739 4.556 0.024 0.000 0.294 218 H C -0.743 174.087 175.328 -0.831 0.000 1.048 218 H CA 1.721 57.542 56.048 -0.378 0.000 1.353 218 H CB 0.048 29.540 29.762 -0.450 0.000 1.414 218 H HN 0.557 nan 8.280 nan 0.000 0.536 219 F N -0.300 119.653 119.950 0.005 0.000 2.556 219 F HA 0.465 5.006 4.527 0.024 0.000 0.314 219 F C -0.895 174.851 175.800 -0.089 0.000 1.106 219 F CA -1.173 56.785 58.000 -0.070 0.000 0.911 219 F CB 1.972 40.887 39.000 -0.142 0.000 1.190 219 F HN -0.347 nan 8.300 nan 0.000 0.448 220 V N 1.970 121.914 119.914 0.050 0.000 2.407 220 V HA 0.535 4.670 4.120 0.025 0.000 0.291 220 V C -0.267 175.777 176.094 -0.084 0.000 1.018 220 V CA -0.701 61.554 62.300 -0.075 0.000 0.842 220 V CB 1.861 33.577 31.823 -0.179 0.000 0.996 220 V HN 0.886 nan 8.190 nan 0.000 0.426 221 T N 0.950 115.451 114.554 -0.088 0.000 2.945 221 T HA 0.840 5.205 4.350 0.025 0.000 0.286 221 T C -0.260 174.363 174.700 -0.129 0.000 1.025 221 T CA -0.659 61.385 62.100 -0.094 0.000 1.039 221 T CB 2.174 70.997 68.868 -0.075 0.000 1.068 221 T HN 0.715 nan 8.240 nan 0.000 0.497 222 T N 0.380 114.858 114.554 -0.126 0.000 2.786 222 T HA 0.585 4.950 4.350 0.025 0.000 0.316 222 T C -0.757 173.868 174.700 -0.125 0.000 1.503 222 T CA -0.383 61.629 62.100 -0.146 0.000 1.019 222 T CB 1.373 70.117 68.868 -0.206 0.000 1.415 222 T HN 1.199 nan 8.240 nan 0.000 0.496 223 T N -0.115 114.324 114.554 -0.191 0.000 2.934 223 T HA 0.495 4.859 4.350 0.025 0.000 0.283 223 T C 1.367 175.942 174.700 -0.208 0.000 1.005 223 T CA 0.161 62.106 62.100 -0.259 0.000 1.041 223 T CB 1.130 69.624 68.868 -0.625 0.000 1.042 223 T HN 0.770 nan 8.240 nan 0.000 0.505 224 T N -2.033 112.452 114.554 -0.114 0.000 3.060 224 T HA 0.030 4.394 4.350 0.025 0.000 0.249 224 T C 1.347 176.035 174.700 -0.020 0.000 1.079 224 T CA 0.287 62.395 62.100 0.013 0.000 1.013 224 T CB -0.476 68.431 68.868 0.065 0.000 0.975 224 T HN 0.927 nan 8.240 nan 0.000 0.518 225 H N -0.024 119.030 119.070 -0.026 0.000 2.586 225 H HA 0.452 5.023 4.556 0.025 0.000 0.273 225 H C 0.932 176.229 175.328 -0.051 0.000 0.997 225 H CA -0.435 55.587 56.048 -0.042 0.000 1.177 225 H CB 0.322 30.050 29.762 -0.058 0.000 1.471 225 H HN 0.262 nan 8.280 nan 0.000 0.538 226 K N 1.224 121.488 120.400 -0.226 0.000 3.383 226 K HA 0.037 4.372 4.320 0.025 0.000 0.164 226 K C 2.006 178.582 176.600 -0.040 0.000 1.145 226 K CA 0.883 57.069 56.287 -0.167 0.000 1.507 226 K CB -0.165 32.120 32.500 -0.357 0.000 2.086 226 K HN 0.173 nan 8.250 nan 0.000 0.502 227 T N 0.170 114.680 114.554 -0.073 0.000 3.035 227 T HA -0.057 4.307 4.350 0.025 0.000 0.268 227 T C 1.730 176.596 174.700 0.276 0.000 1.109 227 T CA 0.572 62.692 62.100 0.033 0.000 1.119 227 T CB -0.030 68.754 68.868 -0.140 0.000 0.900 227 T HN 0.086 nan 8.240 nan 0.000 0.503 228 L N 1.152 122.515 121.223 0.233 0.000 2.376 228 L HA 0.359 4.714 4.340 0.025 0.000 0.219 228 L C 1.450 178.489 176.870 0.282 0.000 1.133 228 L CA 0.860 55.898 54.840 0.329 0.000 0.816 228 L CB -1.115 41.084 42.059 0.233 0.000 0.933 228 L HN 0.400 nan 8.230 nan 0.000 0.449 229 R N -0.838 119.797 120.500 0.225 0.000 3.336 229 R HA -0.150 4.205 4.340 0.025 0.000 0.260 229 R C 0.279 176.616 176.300 0.062 0.000 1.032 229 R CA 0.424 56.624 56.100 0.168 0.000 0.693 229 R CB -1.652 28.805 30.300 0.262 0.000 1.134 229 R HN 0.575 nan 8.270 nan 0.000 0.433 230 G N 0.140 108.958 108.800 0.030 0.000 3.175 230 G HA2 0.723 4.698 3.960 0.025 0.000 0.255 230 G HA3 0.723 4.698 3.960 0.025 0.000 0.255 230 G C -2.735 172.161 174.900 -0.007 0.000 1.352 230 G CA -0.960 44.113 45.100 -0.046 0.000 1.037 230 G HN 0.113 nan 8.290 nan 0.000 0.556 231 P HA 0.200 nan 4.420 nan 0.000 0.274 231 P C -0.634 176.686 177.300 0.033 0.000 1.246 231 P CA -0.509 62.572 63.100 -0.031 0.000 0.795 231 P CB 1.053 32.702 31.700 -0.084 0.000 1.006 232 R N 0.506 120.993 120.500 -0.022 0.000 2.345 232 R HA 0.494 4.849 4.340 0.025 0.000 0.331 232 R C 0.320 176.635 176.300 0.025 0.000 1.067 232 R CA 0.476 56.530 56.100 -0.077 0.000 0.962 232 R CB -0.805 29.335 30.300 -0.266 0.000 0.987 232 R HN 0.818 nan 8.270 nan 0.000 0.451 233 G N 1.244 110.161 108.800 0.196 0.000 2.428 233 G HA2 0.464 4.439 3.960 0.025 0.000 0.304 233 G HA3 0.464 4.439 3.960 0.025 0.000 0.304 233 G C -1.317 173.658 174.900 0.124 0.000 1.303 233 G CA -0.377 44.792 45.100 0.116 0.000 0.825 233 G HN 0.699 nan 8.290 nan 0.000 0.484 234 G N -1.320 107.519 108.800 0.065 0.000 2.630 234 G HA2 0.767 4.742 3.960 0.025 0.000 0.296 234 G HA3 0.767 4.742 3.960 0.025 0.000 0.296 234 G C -0.983 173.937 174.900 0.034 0.000 1.285 234 G CA -0.604 44.515 45.100 0.032 0.000 0.958 234 G HN 0.945 nan 8.290 nan 0.000 0.479 235 M N 0.152 119.757 119.600 0.009 0.000 2.413 235 M HA 0.605 5.100 4.480 0.025 0.000 0.287 235 M C -2.011 174.268 176.300 -0.035 0.000 1.186 235 M CA -0.673 54.632 55.300 0.009 0.000 0.927 235 M CB 2.305 34.928 32.600 0.039 0.000 1.715 235 M HN 0.396 nan 8.290 nan 0.000 0.478 236 I N 4.825 125.384 120.570 -0.018 0.000 2.406 236 I HA 0.473 4.658 4.170 0.025 0.000 0.290 236 I C -1.255 174.858 176.117 -0.007 0.000 0.999 236 I CA -0.646 60.651 61.300 -0.005 0.000 1.124 236 I CB 1.880 39.908 38.000 0.046 0.000 1.289 236 I HN 0.577 nan 8.210 nan 0.000 0.441 237 L N 6.389 127.599 121.223 -0.022 0.000 2.346 237 L HA 0.789 5.144 4.340 0.025 0.000 0.276 237 L C -0.492 176.416 176.870 0.063 0.000 1.006 237 L CA -0.588 54.242 54.840 -0.016 0.000 0.817 237 L CB 1.802 43.794 42.059 -0.112 0.000 1.272 237 L HN 0.802 nan 8.230 nan 0.000 0.421 238 C N -0.077 119.291 119.300 0.115 0.000 3.321 238 C HA 0.528 5.002 4.460 0.025 0.000 0.329 238 C C -0.678 174.387 174.990 0.125 0.000 1.394 238 C CA -1.035 58.050 59.018 0.111 0.000 1.291 238 C CB 1.825 29.688 27.740 0.204 0.000 1.606 238 C HN 0.850 nan 8.230 nan 0.000 0.463 239 Q N 0.830 120.698 119.800 0.113 0.000 2.382 239 Q HA 0.266 4.621 4.340 0.025 0.000 0.229 239 Q C 0.468 176.480 176.000 0.020 0.000 1.006 239 Q CA -0.008 55.831 55.803 0.060 0.000 0.916 239 Q CB 0.902 29.652 28.738 0.019 0.000 1.235 239 Q HN 0.855 nan 8.270 nan 0.000 0.512 240 E N 0.840 121.016 120.200 -0.040 0.000 2.265 240 E HA -0.218 4.147 4.350 0.025 0.000 0.196 240 E C 1.888 178.384 176.600 -0.173 0.000 0.996 240 E CA 1.788 58.134 56.400 -0.090 0.000 0.832 240 E CB 0.033 29.694 29.700 -0.065 0.000 0.756 240 E HN 0.730 nan 8.360 nan 0.000 0.491 241 Q N -1.374 118.260 119.800 -0.277 0.000 2.291 241 Q HA -0.109 4.246 4.340 0.025 0.000 0.205 241 Q C 1.017 176.732 176.000 -0.474 0.000 0.970 241 Q CA 1.229 56.772 55.803 -0.434 0.000 0.876 241 Q CB -0.232 28.136 28.738 -0.617 0.000 0.935 241 Q HN 0.288 nan 8.270 nan 0.000 0.455 242 F N 0.208 120.128 119.950 -0.050 0.000 2.721 242 F HA 0.482 5.024 4.527 0.024 0.000 0.301 242 F C 2.174 177.949 175.800 -0.041 0.000 1.096 242 F CA -0.164 57.841 58.000 0.008 0.000 1.308 242 F CB -0.131 38.909 39.000 0.066 0.000 1.086 242 F HN 0.134 nan 8.300 nan 0.000 0.587 243 A N 0.752 123.528 122.820 -0.074 0.000 1.903 243 A HA -0.299 4.035 4.320 0.025 0.000 0.219 243 A C 2.332 179.699 177.584 -0.362 0.000 1.191 243 A CA 2.252 53.995 52.037 -0.490 0.000 0.638 243 A CB -0.690 17.823 19.000 -0.811 0.000 0.823 243 A HN 0.346 nan 8.150 nan 0.000 0.451 244 K N -0.842 119.443 120.400 -0.192 0.000 2.057 244 K HA -0.158 4.177 4.320 0.025 0.000 0.206 244 K C 2.314 178.906 176.600 -0.014 0.000 1.050 244 K CA 1.540 57.764 56.287 -0.106 0.000 0.935 244 K CB -0.169 32.294 32.500 -0.063 0.000 0.715 244 K HN 0.668 nan 8.250 nan 0.000 0.439 245 Q N 0.088 119.918 119.800 0.050 0.000 2.119 245 Q HA -0.102 4.253 4.340 0.025 0.000 0.201 245 Q C 2.024 178.097 176.000 0.121 0.000 0.972 245 Q CA 0.887 56.753 55.803 0.105 0.000 0.847 245 Q CB 0.079 28.913 28.738 0.161 0.000 0.903 245 Q HN 0.293 nan 8.270 nan 0.000 0.433 246 I N 1.376 122.029 120.570 0.139 0.000 2.252 246 I HA -0.226 3.958 4.170 0.025 0.000 0.245 246 I C 1.500 177.702 176.117 0.142 0.000 1.102 246 I CA 1.374 62.763 61.300 0.149 0.000 1.385 246 I CB -0.857 37.279 38.000 0.227 0.000 1.064 246 I HN 0.189 nan 8.210 nan 0.000 0.414 247 D N 0.889 121.332 120.400 0.072 0.000 2.117 247 D HA -0.152 4.503 4.640 0.025 0.000 0.198 247 D C 2.194 178.630 176.300 0.227 0.000 0.982 247 D CA 1.076 55.086 54.000 0.017 0.000 0.828 247 D CB -0.077 40.460 40.800 -0.438 0.000 0.967 247 D HN 0.302 nan 8.370 nan 0.000 0.464 248 K N 0.375 120.872 120.400 0.162 0.000 2.148 248 K HA 0.016 4.351 4.320 0.025 0.000 0.204 248 K C 1.998 178.708 176.600 0.183 0.000 1.050 248 K CA 0.898 57.294 56.287 0.182 0.000 0.942 248 K CB 0.060 32.640 32.500 0.133 0.000 0.724 248 K HN 0.019 nan 8.250 nan 0.000 0.446 249 A N 1.284 124.225 122.820 0.203 0.000 1.929 249 A HA -0.093 4.242 4.320 0.025 0.000 0.216 249 A C 1.997 179.615 177.584 0.057 0.000 1.176 249 A CA 0.918 53.089 52.037 0.223 0.000 0.628 249 A CB -0.229 18.931 19.000 0.267 0.000 0.816 249 A HN 0.059 nan 8.150 nan 0.000 0.444 250 I N -2.373 118.277 120.570 0.134 0.000 2.193 250 I HA 0.042 4.227 4.170 0.025 0.000 0.240 250 I C 0.560 176.783 176.117 0.176 0.000 1.084 250 I CA 1.299 62.672 61.300 0.122 0.000 1.365 250 I CB -0.619 37.502 38.000 0.202 0.000 1.064 250 I HN 0.331 nan 8.210 nan 0.000 0.410 251 F N 2.512 122.534 119.950 0.121 0.000 2.557 251 F HA 0.429 4.973 4.527 0.027 0.000 0.316 251 F C -2.274 173.614 175.800 0.147 0.000 1.141 251 F CA -2.080 55.962 58.000 0.071 0.000 0.922 251 F CB 2.090 41.086 39.000 -0.006 0.000 1.194 251 F HN -0.215 nan 8.300 nan 0.000 0.443 252 P HA 0.221 nan 4.420 nan 0.000 0.249 252 P C 0.787 177.833 177.300 -0.422 0.000 1.583 252 P CA 0.303 62.760 63.100 -1.072 0.000 0.988 252 P CB 0.401 31.450 31.700 -1.085 0.000 1.530 253 G N 2.175 110.838 108.800 -0.229 0.000 2.616 253 G HA2 -0.162 3.812 3.960 0.025 0.000 0.215 253 G HA3 -0.162 3.812 3.960 0.025 0.000 0.215 253 G C 1.170 175.757 174.900 -0.521 0.000 1.284 253 G CA 0.945 45.849 45.100 -0.326 0.000 0.823 253 G HN 0.410 nan 8.290 nan 0.000 0.569 254 I N -3.149 117.165 120.570 -0.425 0.000 4.187 254 I HA 0.425 4.610 4.170 0.025 0.000 0.326 254 I C 0.925 176.956 176.117 -0.143 0.000 1.302 254 I CA -0.113 60.972 61.300 -0.357 0.000 1.196 254 I CB 0.454 38.222 38.000 -0.386 0.000 1.095 254 I HN 0.085 nan 8.210 nan 0.000 0.411 255 Q N 0.875 120.647 119.800 -0.048 0.000 2.712 255 Q HA 0.673 5.027 4.340 0.025 0.000 0.267 255 Q C 0.063 176.197 176.000 0.224 0.000 1.062 255 Q CA -0.339 55.507 55.803 0.072 0.000 0.888 255 Q CB 2.094 30.824 28.738 -0.013 0.000 1.374 255 Q HN 0.302 nan 8.270 nan 0.000 0.498 256 G N -0.705 108.256 108.800 0.268 0.000 3.244 256 G HA2 0.435 4.410 3.960 0.025 0.000 0.197 256 G HA3 0.435 4.410 3.960 0.025 0.000 0.197 256 G C -0.407 174.561 174.900 0.114 0.000 1.531 256 G CA -0.087 45.220 45.100 0.346 0.000 0.747 256 G HN 0.587 nan 8.290 nan 0.000 0.763 257 G N 2.114 110.995 108.800 0.135 0.000 2.378 257 G HA2 0.507 4.482 3.960 0.025 0.000 0.255 257 G HA3 0.507 4.482 3.960 0.025 0.000 0.255 257 G C -2.035 172.831 174.900 -0.057 0.000 1.270 257 G CA -0.374 44.698 45.100 -0.047 0.000 0.876 257 G HN 0.370 nan 8.290 nan 0.000 0.521 258 P HA 0.195 nan 4.420 nan 0.000 0.274 258 P C -0.253 177.037 177.300 -0.017 0.000 1.246 258 P CA -0.517 62.551 63.100 -0.054 0.000 0.795 258 P CB 1.275 32.885 31.700 -0.151 0.000 1.006 259 L N 2.023 123.258 121.223 0.019 0.000 2.328 259 L HA 0.168 4.523 4.340 0.025 0.000 0.280 259 L C 1.781 178.567 176.870 -0.141 0.000 1.111 259 L CA -0.513 54.279 54.840 -0.080 0.000 0.909 259 L CB 0.037 41.978 42.059 -0.197 0.000 1.277 259 L HN 0.200 nan 8.230 nan 0.000 0.433 260 M N 1.340 120.936 119.600 -0.005 0.000 2.213 260 M HA -0.144 4.351 4.480 0.025 0.000 0.263 260 M C 2.363 178.676 176.300 0.022 0.000 1.062 260 M CA 1.499 56.804 55.300 0.008 0.000 1.105 260 M CB -1.079 31.540 32.600 0.031 0.000 1.385 260 M HN 0.644 nan 8.290 nan 0.000 0.417 261 H N -0.897 118.146 119.070 -0.045 0.000 2.389 261 H HA 0.056 4.617 4.556 0.007 0.000 0.299 261 H C 2.043 177.345 175.328 -0.044 0.000 1.081 261 H CA 1.362 57.385 56.048 -0.043 0.000 1.345 261 H CB -1.261 28.474 29.762 -0.046 0.000 1.393 261 H HN 0.248 nan 8.280 nan 0.000 0.520 262 V N 1.532 121.132 119.914 -0.524 0.000 2.453 262 V HA -0.146 3.989 4.120 0.025 0.000 0.247 262 V C 2.949 178.930 176.094 -0.189 0.000 1.048 262 V CA 1.271 63.371 62.300 -0.334 0.000 1.049 262 V CB -0.511 31.095 31.823 -0.362 0.000 0.672 262 V HN 0.226 nan 8.190 nan 0.000 0.457 263 I N 0.775 121.255 120.570 -0.151 0.000 2.286 263 I HA -0.242 3.943 4.170 0.025 0.000 0.248 263 I C 2.693 178.762 176.117 -0.081 0.000 1.115 263 I CA 1.424 62.674 61.300 -0.084 0.000 1.392 263 I CB -0.567 37.408 38.000 -0.041 0.000 1.065 263 I HN 0.284 nan 8.210 nan 0.000 0.418 264 A N 0.824 123.606 122.820 -0.064 0.000 1.883 264 A HA -0.226 4.108 4.320 0.025 0.000 0.217 264 A C 2.529 180.056 177.584 -0.094 0.000 1.186 264 A CA 2.101 54.109 52.037 -0.049 0.000 0.624 264 A CB -0.895 18.097 19.000 -0.013 0.000 0.822 264 A HN 0.442 nan 8.150 nan 0.000 0.444 265 A N -0.618 122.133 122.820 -0.115 0.000 1.969 265 A HA -0.096 4.238 4.320 0.025 0.000 0.218 265 A C 2.072 179.499 177.584 -0.261 0.000 1.169 265 A CA 1.683 53.633 52.037 -0.144 0.000 0.635 265 A CB -0.359 18.574 19.000 -0.112 0.000 0.810 265 A HN 0.565 nan 8.150 nan 0.000 0.445 266 K N -0.140 120.061 120.400 -0.333 0.000 2.026 266 K HA -0.082 4.253 4.320 0.025 0.000 0.208 266 K C 2.352 178.363 176.600 -0.981 0.000 1.048 266 K CA 1.189 57.057 56.287 -0.698 0.000 0.929 266 K CB -0.364 31.850 32.500 -0.477 0.000 0.713 266 K HN 0.421 nan 8.250 nan 0.000 0.439 267 A N 1.090 123.673 122.820 -0.395 0.000 1.892 267 A HA -0.167 4.167 4.320 0.025 0.000 0.218 267 A C 2.394 179.891 177.584 -0.146 0.000 1.188 267 A CA 1.782 53.742 52.037 -0.128 0.000 0.631 267 A CB -0.852 18.142 19.000 -0.009 0.000 0.822 267 A HN 0.092 nan 8.150 nan 0.000 0.447 268 V N -0.191 119.621 119.914 -0.171 0.000 2.295 268 V HA -0.266 3.868 4.120 0.025 0.000 0.246 268 V C 3.050 179.044 176.094 -0.167 0.000 1.049 268 V CA 2.039 64.262 62.300 -0.128 0.000 1.024 268 V CB -1.357 30.404 31.823 -0.103 0.000 0.648 268 V HN 0.636 nan 8.190 nan 0.000 0.447 269 A N -0.407 122.242 122.820 -0.284 0.000 1.902 269 A HA -0.169 4.166 4.320 0.025 0.000 0.217 269 A C 2.114 179.562 177.584 -0.226 0.000 1.181 269 A CA 1.824 53.688 52.037 -0.289 0.000 0.623 269 A CB -0.744 18.036 19.000 -0.365 0.000 0.818 269 A HN 0.543 nan 8.150 nan 0.000 0.443 270 F N 0.002 119.873 119.950 -0.132 0.000 2.186 270 F HA -0.053 4.496 4.527 0.037 0.000 0.299 270 F C 2.693 178.387 175.800 -0.178 0.000 1.090 270 F CA 0.304 58.207 58.000 -0.162 0.000 1.307 270 F CB -0.510 38.435 39.000 -0.092 0.000 1.019 270 F HN 0.348 nan 8.300 nan 0.000 0.489 271 G N 0.240 109.060 108.800 0.034 0.000 2.418 271 G HA2 -0.230 3.745 3.960 0.025 0.000 0.217 271 G HA3 -0.230 3.745 3.960 0.025 0.000 0.217 271 G C 1.391 176.256 174.900 -0.058 0.000 1.158 271 G CA 0.799 45.891 45.100 -0.013 0.000 0.771 271 G HN 0.340 nan 8.290 nan 0.000 0.545 272 E N 0.443 120.586 120.200 -0.096 0.000 2.150 272 E HA 0.020 4.385 4.350 0.025 0.000 0.193 272 E C 2.823 179.297 176.600 -0.210 0.000 0.985 272 E CA 0.637 56.974 56.400 -0.105 0.000 0.814 272 E CB -0.117 29.525 29.700 -0.096 0.000 0.752 272 E HN 0.433 nan 8.360 nan 0.000 0.466 273 A N 0.790 123.351 122.820 -0.431 0.000 1.968 273 A HA -0.073 4.262 4.320 0.025 0.000 0.217 273 A C 2.068 179.486 177.584 -0.277 0.000 1.169 273 A CA 0.697 52.249 52.037 -0.809 0.000 0.638 273 A CB -0.325 18.177 19.000 -0.829 0.000 0.812 273 A HN 0.131 nan 8.150 nan 0.000 0.446 274 L N -0.159 120.974 121.223 -0.151 0.000 2.291 274 L HA -0.076 4.278 4.340 0.025 0.000 0.214 274 L C 0.963 177.830 176.870 -0.004 0.000 1.120 274 L CA 0.232 55.029 54.840 -0.071 0.000 0.799 274 L CB -0.279 41.743 42.059 -0.061 0.000 0.925 274 L HN 0.431 nan 8.230 nan 0.000 0.446 275 Q N 0.080 119.891 119.800 0.018 0.000 2.417 275 Q HA -0.045 4.310 4.340 0.025 0.000 0.241 275 Q C 0.279 176.344 176.000 0.107 0.000 1.008 275 Q CA -0.037 55.800 55.803 0.057 0.000 0.901 275 Q CB 0.747 29.519 28.738 0.057 0.000 1.259 275 Q HN 0.076 nan 8.270 nan 0.000 0.489 276 D N 0.997 121.450 120.400 0.089 0.000 2.219 276 D HA -0.153 4.502 4.640 0.025 0.000 0.205 276 D C 1.230 177.603 176.300 0.122 0.000 0.970 276 D CA 1.281 55.338 54.000 0.095 0.000 0.851 276 D CB 0.035 40.874 40.800 0.065 0.000 0.943 276 D HN 0.577 nan 8.370 nan 0.000 0.488 277 D N -0.158 120.320 120.400 0.130 0.000 2.178 277 D HA -0.202 4.452 4.640 0.025 0.000 0.201 277 D C 1.849 178.272 176.300 0.204 0.000 0.980 277 D CA 0.463 54.546 54.000 0.139 0.000 0.842 277 D CB -1.008 39.859 40.800 0.113 0.000 0.948 277 D HN 0.275 nan 8.370 nan 0.000 0.472 278 F N 1.115 121.127 119.950 0.103 0.000 2.186 278 F HA -0.020 4.522 4.527 0.024 0.000 0.299 278 F C 1.973 177.895 175.800 0.203 0.000 1.090 278 F CA 1.150 59.253 58.000 0.172 0.000 1.307 278 F CB 0.084 39.150 39.000 0.111 0.000 1.019 278 F HN -0.229 nan 8.300 nan 0.000 0.489 279 K N 0.313 120.849 120.400 0.227 0.000 2.097 279 K HA -0.034 4.301 4.320 0.025 0.000 0.205 279 K C 2.225 178.841 176.600 0.027 0.000 1.050 279 K CA 1.213 57.564 56.287 0.107 0.000 0.938 279 K CB -0.697 31.875 32.500 0.119 0.000 0.718 279 K HN 0.292 nan 8.250 nan 0.000 0.442 280 A N -0.072 122.783 122.820 0.058 0.000 1.929 280 A HA -0.163 4.172 4.320 0.025 0.000 0.216 280 A C 2.103 179.700 177.584 0.021 0.000 1.176 280 A CA 1.237 53.299 52.037 0.040 0.000 0.628 280 A CB -0.714 18.325 19.000 0.065 0.000 0.816 280 A HN 0.447 nan 8.150 nan 0.000 0.444 281 Y N 0.723 120.960 120.300 -0.104 0.000 2.114 281 Y HA -0.055 4.513 4.550 0.029 0.000 0.284 281 Y C 2.509 178.285 175.900 -0.206 0.000 1.143 281 Y CA 1.387 59.394 58.100 -0.155 0.000 1.135 281 Y CB -0.686 37.642 38.460 -0.220 0.000 0.980 281 Y HN 0.255 nan 8.280 nan 0.000 0.499 282 A N 0.531 122.980 122.820 -0.619 0.000 2.015 282 A HA -0.160 4.175 4.320 0.025 0.000 0.219 282 A C 2.322 179.705 177.584 -0.335 0.000 1.163 282 A CA 1.692 53.345 52.037 -0.641 0.000 0.646 282 A CB -0.740 18.002 19.000 -0.431 0.000 0.806 282 A HN 0.550 nan 8.150 nan 0.000 0.448 283 K N -0.430 119.851 120.400 -0.199 0.000 2.103 283 K HA -0.072 4.263 4.320 0.025 0.000 0.204 283 K C 2.227 178.762 176.600 -0.107 0.000 1.052 283 K CA 0.931 57.155 56.287 -0.104 0.000 0.945 283 K CB -0.135 32.337 32.500 -0.046 0.000 0.722 283 K HN 0.424 nan 8.250 nan 0.000 0.443 284 R N 0.156 120.574 120.500 -0.137 0.000 2.092 284 R HA -0.080 4.275 4.340 0.025 0.000 0.231 284 R C 2.234 178.458 176.300 -0.126 0.000 1.119 284 R CA 1.113 57.155 56.100 -0.096 0.000 0.970 284 R CB -0.241 30.029 30.300 -0.050 0.000 0.864 284 R HN 0.045 nan 8.270 nan 0.000 0.440 285 V N 0.477 120.233 119.914 -0.264 0.000 2.287 285 V HA -0.236 3.898 4.120 0.025 0.000 0.248 285 V C 2.349 178.390 176.094 -0.088 0.000 1.053 285 V CA 1.708 63.877 62.300 -0.219 0.000 1.027 285 V CB -0.392 31.204 31.823 -0.379 0.000 0.646 285 V HN 0.122 nan 8.190 nan 0.000 0.447 286 V N 0.133 119.998 119.914 -0.082 0.000 2.343 286 V HA -0.240 3.895 4.120 0.025 0.000 0.247 286 V C 2.297 178.381 176.094 -0.016 0.000 1.051 286 V CA 2.183 64.470 62.300 -0.022 0.000 1.036 286 V CB -0.672 31.146 31.823 -0.008 0.000 0.654 286 V HN 0.569 nan 8.190 nan 0.000 0.451 287 D N 0.139 120.524 120.400 -0.025 0.000 2.117 287 D HA -0.136 4.519 4.640 0.025 0.000 0.197 287 D C 2.035 178.334 176.300 -0.001 0.000 0.987 287 D CA 1.149 55.143 54.000 -0.010 0.000 0.829 287 D CB -0.402 40.392 40.800 -0.010 0.000 0.961 287 D HN 0.358 nan 8.370 nan 0.000 0.460 288 N N 0.617 119.317 118.700 -0.000 0.000 2.188 288 N HA -0.071 4.683 4.740 0.025 0.000 0.184 288 N C 1.681 177.201 175.510 0.017 0.000 1.018 288 N CA 1.133 54.195 53.050 0.021 0.000 0.858 288 N CB -0.309 38.201 38.487 0.038 0.000 0.989 288 N HN 0.122 nan 8.380 nan 0.000 0.426 289 A N 0.822 123.645 122.820 0.004 0.000 1.898 289 A HA -0.090 4.245 4.320 0.025 0.000 0.216 289 A C 2.194 179.773 177.584 -0.008 0.000 1.181 289 A CA 1.378 53.411 52.037 -0.005 0.000 0.620 289 A CB -0.306 18.688 19.000 -0.010 0.000 0.819 289 A HN 0.125 nan 8.150 nan 0.000 0.442 290 K N -0.632 119.766 120.400 -0.004 0.000 2.057 290 K HA -0.101 4.234 4.320 0.025 0.000 0.207 290 K C 2.247 178.850 176.600 0.005 0.000 1.049 290 K CA 1.566 57.851 56.287 -0.002 0.000 0.931 290 K CB -0.164 32.336 32.500 -0.000 0.000 0.714 290 K HN 0.333 nan 8.250 nan 0.000 0.440 291 R N 0.443 120.949 120.500 0.010 0.000 2.075 291 R HA -0.041 4.313 4.340 0.025 0.000 0.232 291 R C 1.961 178.274 176.300 0.020 0.000 1.126 291 R CA 1.074 57.184 56.100 0.016 0.000 0.963 291 R CB -0.650 29.662 30.300 0.019 0.000 0.858 291 R HN 0.162 nan 8.270 nan 0.000 0.435 292 L N 0.029 121.263 121.223 0.019 0.000 2.093 292 L HA 0.083 4.438 4.340 0.025 0.000 0.208 292 L C 2.030 178.907 176.870 0.011 0.000 1.085 292 L CA 2.075 56.926 54.840 0.018 0.000 0.755 292 L CB -0.854 41.213 42.059 0.014 0.000 0.904 292 L HN 0.247 nan 8.230 nan 0.000 0.435 293 A N -1.613 121.207 122.820 0.002 0.000 1.877 293 A HA -0.232 4.103 4.320 0.025 0.000 0.216 293 A C 2.529 180.127 177.584 0.023 0.000 1.186 293 A CA 1.973 54.010 52.037 0.001 0.000 0.620 293 A CB -1.203 17.791 19.000 -0.011 0.000 0.822 293 A HN 0.496 nan 8.150 nan 0.000 0.443 294 S N -0.592 115.121 115.700 0.021 0.000 2.382 294 S HA -0.025 4.460 4.470 0.025 0.000 0.228 294 S C 2.107 176.731 174.600 0.040 0.000 1.027 294 S CA 1.524 59.740 58.200 0.027 0.000 0.991 294 S CB -0.423 62.789 63.200 0.019 0.000 0.823 294 S HN 0.793 nan 8.310 nan 0.000 0.469 295 A N 0.851 123.697 122.820 0.043 0.000 1.968 295 A HA 0.178 4.513 4.320 0.025 0.000 0.217 295 A C 2.129 179.770 177.584 0.095 0.000 1.169 295 A CA 0.910 52.980 52.037 0.056 0.000 0.638 295 A CB -0.542 18.487 19.000 0.048 0.000 0.812 295 A HN 0.559 nan 8.150 nan 0.000 0.446 296 L N -0.971 120.317 121.223 0.109 0.000 2.109 296 L HA -0.202 4.153 4.340 0.025 0.000 0.207 296 L C 2.816 179.852 176.870 0.276 0.000 1.086 296 L CA 1.236 56.207 54.840 0.219 0.000 0.760 296 L CB -0.441 41.675 42.059 0.097 0.000 0.910 296 L HN 0.457 nan 8.230 nan 0.000 0.437 297 Q N -0.398 119.492 119.800 0.150 0.000 2.084 297 Q HA -0.225 4.130 4.340 0.025 0.000 0.202 297 Q C 2.029 178.066 176.000 0.063 0.000 0.978 297 Q CA 1.503 57.369 55.803 0.105 0.000 0.844 297 Q CB -0.277 28.500 28.738 0.065 0.000 0.898 297 Q HN 0.480 nan 8.270 nan 0.000 0.426 298 N N 0.527 119.262 118.700 0.058 0.000 2.205 298 N HA -0.198 4.557 4.740 0.025 0.000 0.186 298 N C 1.221 176.741 175.510 0.017 0.000 1.015 298 N CA 0.925 53.994 53.050 0.032 0.000 0.862 298 N CB 0.213 38.721 38.487 0.035 0.000 0.986 298 N HN 0.216 nan 8.380 nan 0.000 0.429 299 E N -0.347 119.882 120.200 0.048 0.000 2.358 299 E HA -0.001 4.364 4.350 0.025 0.000 0.195 299 E C 1.049 177.527 176.600 -0.204 0.000 1.010 299 E CA 0.752 57.144 56.400 -0.012 0.000 0.856 299 E CB -0.007 29.777 29.700 0.139 0.000 0.795 299 E HN 0.612 nan 8.360 nan 0.000 0.504 300 G N 0.690 109.391 108.800 -0.165 0.000 2.154 300 G HA2 -0.206 3.769 3.960 0.025 0.000 0.186 300 G HA3 -0.206 3.769 3.960 0.025 0.000 0.186 300 G C -0.131 174.600 174.900 -0.281 0.000 1.000 300 G CA -0.434 44.528 45.100 -0.231 0.000 0.664 300 G HN 0.093 nan 8.290 nan 0.000 0.513 301 F N 1.884 121.835 119.950 0.001 0.000 2.384 301 F HA 0.579 5.121 4.527 0.026 0.000 0.338 301 F C 1.136 176.936 175.800 0.000 0.000 1.103 301 F CA -0.065 57.934 58.000 -0.000 0.000 1.157 301 F CB 1.411 40.409 39.000 -0.003 0.000 1.167 301 F HN -0.068 nan 8.300 nan 0.000 0.529 302 T N 4.842 119.517 114.554 0.202 0.000 2.806 302 T HA 0.550 4.914 4.350 0.025 0.000 0.290 302 T C -0.120 174.638 174.700 0.097 0.000 0.966 302 T CA -0.498 61.672 62.100 0.117 0.000 1.060 302 T CB 0.396 69.316 68.868 0.086 0.000 0.927 302 T HN 0.279 nan 8.240 nan 0.000 0.485 303 L N 2.701 123.964 121.223 0.067 0.000 2.331 303 L HA 0.530 4.884 4.340 0.025 0.000 0.275 303 L C 0.043 176.921 176.870 0.014 0.000 1.022 303 L CA -1.360 53.493 54.840 0.022 0.000 0.812 303 L CB 1.622 43.690 42.059 0.014 0.000 1.257 303 L HN 0.321 nan 8.230 nan 0.000 0.435 304 V N 2.389 122.267 119.914 -0.060 0.000 2.529 304 V HA 0.018 4.153 4.120 0.025 0.000 0.292 304 V C 1.014 177.121 176.094 0.020 0.000 1.028 304 V CA 1.157 63.377 62.300 -0.134 0.000 1.074 304 V CB 0.912 32.575 31.823 -0.268 0.000 0.958 304 V HN 1.147 nan 8.190 nan 0.000 0.481 305 S N 2.652 118.511 115.700 0.265 0.000 2.857 305 S HA -0.195 4.290 4.470 0.025 0.000 0.268 305 S C 1.267 175.917 174.600 0.083 0.000 1.297 305 S CA 1.093 59.393 58.200 0.166 0.000 1.280 305 S CB -1.945 61.266 63.200 0.018 0.000 1.562 305 S HN 2.808 nan 8.310 nan 0.000 0.661 306 G N 0.106 108.955 108.800 0.083 0.000 2.182 306 G HA2 0.365 4.340 3.960 0.025 0.000 0.248 306 G HA3 0.365 4.340 3.960 0.025 0.000 0.248 306 G C 0.922 175.833 174.900 0.018 0.000 1.042 306 G CA 0.559 45.687 45.100 0.047 0.000 0.775 306 G HN 2.740 nan 8.290 nan 0.000 0.501 307 G N -2.520 106.281 108.800 0.000 0.000 2.247 307 G HA2 0.621 4.596 3.960 0.025 0.000 0.229 307 G HA3 0.621 4.596 3.960 0.025 0.000 0.229 307 G C -0.381 174.490 174.900 -0.048 0.000 1.345 307 G CA 0.877 45.967 45.100 -0.018 0.000 1.100 307 G HN 2.084 nan 8.290 nan 0.000 0.473 308 T N -1.490 113.034 114.554 -0.050 0.000 2.853 308 T HA 0.607 4.972 4.350 0.025 0.000 0.311 308 T C -1.171 173.502 174.700 -0.046 0.000 1.307 308 T CA 0.347 62.404 62.100 -0.072 0.000 1.019 308 T CB 1.963 70.782 68.868 -0.082 0.000 1.264 308 T HN 0.359 nan 8.240 nan 0.000 0.497 309 D N 0.815 121.189 120.400 -0.042 0.000 2.500 309 D HA 0.206 4.861 4.640 0.025 0.000 0.218 309 D C 0.560 176.894 176.300 0.056 0.000 1.140 309 D CA 0.229 54.229 54.000 0.001 0.000 0.830 309 D CB 0.578 41.376 40.800 -0.004 0.000 1.055 309 D HN 0.647 nan 8.370 nan 0.000 0.512 310 N N -0.717 118.015 118.700 0.054 0.000 3.464 310 N HA -0.008 4.747 4.740 0.025 0.000 0.335 310 N C 1.121 176.694 175.510 0.105 0.000 1.489 310 N CA -0.173 52.962 53.050 0.141 0.000 0.652 310 N CB -0.335 38.298 38.487 0.244 0.000 2.334 310 N HN -0.133 nan 8.380 nan 0.000 0.560 311 H N -1.044 118.033 119.070 0.012 0.000 2.547 311 H HA 0.321 4.892 4.556 0.025 0.000 0.272 311 H C 0.164 175.486 175.328 -0.010 0.000 0.971 311 H CA -0.060 55.985 56.048 -0.004 0.000 1.245 311 H CB -0.228 29.543 29.762 0.014 0.000 1.440 311 H HN 0.492 nan 8.280 nan 0.000 0.540 312 L N 0.179 121.058 121.223 -0.572 0.000 2.319 312 L HA 0.678 5.032 4.340 0.025 0.000 0.267 312 L C -0.955 175.761 176.870 -0.257 0.000 1.011 312 L CA -1.543 53.031 54.840 -0.444 0.000 0.818 312 L CB 2.133 43.818 42.059 -0.624 0.000 1.316 312 L HN 0.051 nan 8.230 nan 0.000 0.432 313 L N -0.151 120.960 121.223 -0.188 0.000 2.376 313 L HA 0.793 5.148 4.340 0.025 0.000 0.258 313 L C -1.387 175.402 176.870 -0.134 0.000 1.013 313 L CA -0.815 53.939 54.840 -0.144 0.000 0.822 313 L CB 1.967 43.963 42.059 -0.105 0.000 1.388 313 L HN 0.672 nan 8.230 nan 0.000 0.413 314 L N 1.936 123.087 121.223 -0.121 0.000 2.349 314 L HA 0.653 5.007 4.340 0.025 0.000 0.278 314 L C -0.902 175.907 176.870 -0.101 0.000 0.996 314 L CA -0.891 53.880 54.840 -0.114 0.000 0.825 314 L CB 2.161 44.149 42.059 -0.118 0.000 1.243 314 L HN 0.523 nan 8.230 nan 0.000 0.412 315 V N 2.437 122.288 119.914 -0.105 0.000 2.385 315 V HA 0.115 4.249 4.120 0.025 0.000 0.269 315 V C -0.034 176.031 176.094 -0.049 0.000 1.043 315 V CA -0.508 61.739 62.300 -0.089 0.000 0.906 315 V CB 1.270 32.985 31.823 -0.181 0.000 0.995 315 V HN 0.582 nan 8.190 nan 0.000 0.467 316 D N 4.603 124.995 120.400 -0.013 0.000 2.344 316 D HA 0.177 4.832 4.640 0.025 0.000 0.253 316 D C 0.628 176.965 176.300 0.061 0.000 1.255 316 D CA 0.080 54.082 54.000 0.004 0.000 0.894 316 D CB 1.101 41.903 40.800 0.003 0.000 1.067 316 D HN 0.468 nan 8.370 nan 0.000 0.492 317 L N 3.729 124.983 121.223 0.051 0.000 2.592 317 L HA 0.197 4.552 4.340 0.025 0.000 0.227 317 L C 2.320 179.235 176.870 0.075 0.000 1.127 317 L CA -0.156 54.738 54.840 0.090 0.000 0.884 317 L CB 0.058 42.155 42.059 0.063 0.000 1.065 317 L HN 0.263 nan 8.230 nan 0.000 0.457 318 R N 0.636 121.169 120.500 0.055 0.000 2.091 318 R HA -0.149 4.206 4.340 0.025 0.000 0.238 318 R C -0.361 175.963 176.300 0.041 0.000 1.136 318 R CA 1.438 57.564 56.100 0.044 0.000 0.959 318 R CB -1.348 28.975 30.300 0.038 0.000 0.856 318 R HN 0.316 nan 8.270 nan 0.000 0.437 319 P HA -0.129 nan 4.420 nan 0.000 0.218 319 P C 0.625 177.935 177.300 0.017 0.000 1.148 319 P CA 1.225 64.340 63.100 0.025 0.000 0.822 319 P CB 0.124 31.836 31.700 0.021 0.000 0.784 320 Q N -1.044 118.780 119.800 0.039 0.000 2.444 320 Q HA 0.062 4.416 4.340 0.025 0.000 0.206 320 Q C 0.321 176.344 176.000 0.038 0.000 0.948 320 Q CA 0.259 56.083 55.803 0.035 0.000 0.946 320 Q CB -0.538 28.250 28.738 0.083 0.000 1.027 320 Q HN 0.079 nan 8.270 nan 0.000 0.513 321 Q N -0.477 119.345 119.800 0.036 0.000 2.453 321 Q HA -0.217 4.137 4.340 0.025 0.000 0.294 321 Q C -1.052 174.970 176.000 0.036 0.000 1.295 321 Q CA 0.835 56.657 55.803 0.032 0.000 0.853 321 Q CB -1.811 26.941 28.738 0.022 0.000 1.193 321 Q HN 0.401 nan 8.270 nan 0.000 0.461 322 L N -0.068 121.183 121.223 0.047 0.000 2.342 322 L HA 0.514 4.869 4.340 0.025 0.000 0.271 322 L C 0.982 177.875 176.870 0.039 0.000 1.008 322 L CA -0.616 54.252 54.840 0.046 0.000 0.818 322 L CB 1.889 43.985 42.059 0.061 0.000 1.296 322 L HN 0.115 nan 8.230 nan 0.000 0.427 323 T N -1.752 112.822 114.554 0.032 0.000 2.874 323 T HA 0.267 4.632 4.350 0.025 0.000 0.281 323 T C 1.209 175.921 174.700 0.019 0.000 0.994 323 T CA -0.100 62.016 62.100 0.026 0.000 1.015 323 T CB 1.612 70.497 68.868 0.028 0.000 1.028 323 T HN 0.693 nan 8.240 nan 0.000 0.523 324 G N 0.023 108.830 108.800 0.010 0.000 2.422 324 G HA2 -0.178 3.797 3.960 0.025 0.000 0.218 324 G HA3 -0.178 3.797 3.960 0.025 0.000 0.218 324 G C 1.376 176.278 174.900 0.004 0.000 1.146 324 G CA 0.766 45.864 45.100 -0.002 0.000 0.769 324 G HN 0.829 nan 8.290 nan 0.000 0.547 325 K N -0.124 120.286 120.400 0.016 0.000 2.032 325 K HA -0.110 4.224 4.320 0.025 0.000 0.209 325 K C 2.584 179.197 176.600 0.021 0.000 1.048 325 K CA 1.768 58.069 56.287 0.023 0.000 0.927 325 K CB -0.297 32.225 32.500 0.037 0.000 0.712 325 K HN 0.279 nan 8.250 nan 0.000 0.441 326 T N 0.694 115.261 114.554 0.022 0.000 2.708 326 T HA -0.110 4.255 4.350 0.025 0.000 0.266 326 T C 1.874 176.586 174.700 0.020 0.000 1.037 326 T CA 1.311 63.425 62.100 0.023 0.000 1.146 326 T CB -0.295 68.589 68.868 0.027 0.000 0.865 326 T HN 0.404 nan 8.240 nan 0.000 0.435 327 A N 1.361 124.191 122.820 0.017 0.000 1.902 327 A HA -0.144 4.191 4.320 0.025 0.000 0.217 327 A C 2.227 179.811 177.584 -0.001 0.000 1.181 327 A CA 1.876 53.918 52.037 0.008 0.000 0.623 327 A CB -0.633 18.364 19.000 -0.004 0.000 0.818 327 A HN 0.604 nan 8.150 nan 0.000 0.443 328 E N -0.178 120.021 120.200 -0.002 0.000 2.077 328 E HA -0.249 4.115 4.350 0.025 0.000 0.193 328 E C 2.098 178.701 176.600 0.005 0.000 0.989 328 E CA 1.549 57.948 56.400 -0.003 0.000 0.800 328 E CB -0.132 29.568 29.700 -0.001 0.000 0.746 328 E HN 0.638 nan 8.360 nan 0.000 0.452 329 K N 0.244 120.650 120.400 0.011 0.000 2.025 329 K HA -0.112 4.223 4.320 0.025 0.000 0.207 329 K C 2.135 178.744 176.600 0.014 0.000 1.049 329 K CA 1.279 57.575 56.287 0.014 0.000 0.933 329 K CB -0.158 32.352 32.500 0.017 0.000 0.714 329 K HN 0.109 nan 8.250 nan 0.000 0.438 330 V N 1.314 121.238 119.914 0.016 0.000 2.548 330 V HA -0.130 4.005 4.120 0.025 0.000 0.249 330 V C 1.968 178.072 176.094 0.017 0.000 1.055 330 V CA 1.257 63.569 62.300 0.019 0.000 1.065 330 V CB -0.123 31.715 31.823 0.024 0.000 0.681 330 V HN 0.323 nan 8.190 nan 0.000 0.462 331 L N -0.046 121.184 121.223 0.012 0.000 2.217 331 L HA -0.085 4.269 4.340 0.025 0.000 0.211 331 L C 2.254 179.130 176.870 0.010 0.000 1.107 331 L CA 1.832 56.677 54.840 0.009 0.000 0.783 331 L CB -0.494 41.562 42.059 -0.004 0.000 0.919 331 L HN 0.421 nan 8.230 nan 0.000 0.442 332 D N 0.211 120.617 120.400 0.010 0.000 2.178 332 D HA -0.211 4.443 4.640 0.025 0.000 0.201 332 D C 1.990 178.298 176.300 0.014 0.000 0.980 332 D CA 1.097 55.104 54.000 0.012 0.000 0.842 332 D CB 0.201 41.008 40.800 0.011 0.000 0.948 332 D HN 0.280 nan 8.370 nan 0.000 0.472 333 E N -0.581 119.629 120.200 0.015 0.000 2.204 333 E HA -0.111 4.253 4.350 0.025 0.000 0.194 333 E C 2.004 178.615 176.600 0.018 0.000 0.989 333 E CA 1.170 57.580 56.400 0.016 0.000 0.824 333 E CB 0.214 29.924 29.700 0.017 0.000 0.756 333 E HN 0.422 nan 8.360 nan 0.000 0.477 334 V N -3.839 116.087 119.914 0.019 0.000 3.621 334 V HA 0.435 4.570 4.120 0.025 0.000 0.285 334 V C 1.114 177.223 176.094 0.024 0.000 1.346 334 V CA 0.445 62.758 62.300 0.022 0.000 1.104 334 V CB 0.325 32.163 31.823 0.025 0.000 0.913 334 V HN 0.235 nan 8.190 nan 0.000 0.432 335 G N 0.790 109.602 108.800 0.022 0.000 2.131 335 G HA2 -0.169 3.806 3.960 0.025 0.000 0.201 335 G HA3 -0.169 3.806 3.960 0.025 0.000 0.201 335 G C -0.258 174.656 174.900 0.023 0.000 1.000 335 G CA 0.095 45.208 45.100 0.023 0.000 0.680 335 G HN 0.564 nan 8.290 nan 0.000 0.514 336 I N 1.956 122.537 120.570 0.019 0.000 2.362 336 I HA 0.364 4.548 4.170 0.025 0.000 0.289 336 I C 0.076 176.196 176.117 0.005 0.000 0.994 336 I CA -0.612 60.696 61.300 0.013 0.000 1.158 336 I CB 1.859 39.866 38.000 0.012 0.000 1.315 336 I HN 0.034 nan 8.210 nan 0.000 0.451 337 T N 6.488 121.043 114.554 0.002 0.000 2.762 337 T HA 0.467 4.831 4.350 0.025 0.000 0.303 337 T C 0.113 174.806 174.700 -0.012 0.000 0.977 337 T CA -0.548 61.551 62.100 -0.002 0.000 0.961 337 T CB 0.722 69.592 68.868 0.003 0.000 0.944 337 T HN 0.411 nan 8.240 nan 0.000 0.481 338 V N 0.967 120.872 119.914 -0.015 0.000 3.182 338 V HA 0.784 4.919 4.120 0.025 0.000 0.311 338 V C -0.794 175.290 176.094 -0.017 0.000 1.221 338 V CA -1.409 60.876 62.300 -0.024 0.000 1.060 338 V CB 2.221 34.020 31.823 -0.040 0.000 1.164 338 V HN 0.885 nan 8.190 nan 0.000 0.466 339 N N -0.208 118.479 118.700 -0.022 0.000 2.260 339 N HA 0.324 5.079 4.740 0.025 0.000 0.293 339 N C -0.982 174.511 175.510 -0.028 0.000 1.058 339 N CA -0.855 52.184 53.050 -0.018 0.000 0.824 339 N CB 2.639 41.121 38.487 -0.009 0.000 1.551 339 N HN 0.960 nan 8.380 nan 0.000 0.475 340 K N 1.375 121.761 120.400 -0.025 0.000 2.489 340 K HA 0.042 4.377 4.320 0.025 0.000 0.278 340 K C -0.991 175.582 176.600 -0.045 0.000 1.000 340 K CA 0.085 56.354 56.287 -0.030 0.000 1.012 340 K CB 0.282 32.772 32.500 -0.017 0.000 0.903 340 K HN 0.673 nan 8.250 nan 0.000 0.485 341 N N 1.189 119.859 118.700 -0.050 0.000 2.369 341 N HA 0.090 4.845 4.740 0.025 0.000 0.287 341 N C -1.601 173.874 175.510 -0.059 0.000 1.067 341 N CA -0.634 52.380 53.050 -0.059 0.000 0.888 341 N CB 1.823 40.274 38.487 -0.060 0.000 1.616 341 N HN 0.745 nan 8.380 nan 0.000 0.482 342 T N 1.022 115.538 114.554 -0.064 0.000 2.928 342 T HA 0.301 4.666 4.350 0.025 0.000 0.305 342 T C 0.702 175.368 174.700 -0.058 0.000 1.035 342 T CA -0.403 61.664 62.100 -0.054 0.000 1.145 342 T CB -0.272 68.562 68.868 -0.055 0.000 0.963 342 T HN 0.422 nan 8.240 nan 0.000 0.545 343 I N 0.240 120.774 120.570 -0.060 0.000 2.566 343 I HA 0.601 4.786 4.170 0.025 0.000 0.303 343 I C -2.767 173.288 176.117 -0.102 0.000 0.983 343 I CA -3.602 57.640 61.300 -0.097 0.000 1.235 343 I CB 0.660 38.595 38.000 -0.108 0.000 1.386 343 I HN 0.302 nan 8.210 nan 0.000 0.494 344 P HA -0.016 nan 4.420 nan 0.000 0.262 344 P C -1.268 176.004 177.300 -0.047 0.000 1.182 344 P CA 0.710 63.622 63.100 -0.312 0.000 0.761 344 P CB -0.220 31.352 31.700 -0.213 0.000 0.795 345 Y N -0.368 119.855 120.300 -0.130 0.000 3.477 345 Y HA -0.252 4.313 4.550 0.025 0.000 0.216 345 Y C 0.760 176.669 175.900 0.015 0.000 1.296 345 Y CA 0.300 58.407 58.100 0.011 0.000 1.535 345 Y CB -2.296 36.174 38.460 0.017 0.000 1.482 345 Y HN 0.399 nan 8.280 nan 0.000 0.597 346 D N 2.073 122.522 120.400 0.081 0.000 2.383 346 D HA 0.082 4.736 4.640 0.025 0.000 0.252 346 D C -0.820 175.520 176.300 0.067 0.000 1.166 346 D CA -1.222 52.811 54.000 0.056 0.000 0.879 346 D CB 1.171 41.981 40.800 0.016 0.000 1.164 346 D HN 0.166 nan 8.370 nan 0.000 0.462 347 P HA 0.014 nan 4.420 nan 0.000 0.233 347 P C -0.028 177.300 177.300 0.048 0.000 1.167 347 P CA 0.483 63.618 63.100 0.058 0.000 0.770 347 P CB 0.678 32.409 31.700 0.053 0.000 0.837 348 E N 0.443 120.668 120.200 0.042 0.000 2.227 348 E HA 0.255 4.620 4.350 0.025 0.000 0.268 348 E C 0.364 176.991 176.600 0.044 0.000 0.990 348 E CA -0.461 55.964 56.400 0.042 0.000 0.856 348 E CB 1.531 31.253 29.700 0.037 0.000 1.159 348 E HN 0.066 nan 8.360 nan 0.000 0.401 349 S N 1.203 116.941 115.700 0.065 0.000 2.584 349 S HA 0.113 4.598 4.470 0.025 0.000 0.270 349 S C -1.596 173.036 174.600 0.054 0.000 1.346 349 S CA -0.936 57.317 58.200 0.089 0.000 1.018 349 S CB 0.688 63.987 63.200 0.164 0.000 0.899 349 S HN 0.279 nan 8.310 nan 0.000 0.542 350 P HA -0.056 nan 4.420 nan 0.000 0.226 350 P C 0.525 177.644 177.300 -0.302 0.000 1.146 350 P CA 1.095 64.076 63.100 -0.199 0.000 0.773 350 P CB -0.209 31.285 31.700 -0.342 0.000 0.772 351 F N -1.553 118.391 119.950 -0.011 0.000 2.746 351 F HA 0.037 4.578 4.527 0.024 0.000 0.297 351 F C 2.118 177.915 175.800 -0.005 0.000 1.113 351 F CA 0.319 58.314 58.000 -0.009 0.000 1.367 351 F CB -0.074 38.921 39.000 -0.008 0.000 1.111 351 F HN -0.268 nan 8.300 nan 0.000 0.590 352 V N -2.018 117.979 119.914 0.138 0.000 2.950 352 V HA 0.138 4.273 4.120 0.025 0.000 0.231 352 V C 0.687 176.805 176.094 0.038 0.000 1.205 352 V CA 0.748 63.098 62.300 0.083 0.000 1.239 352 V CB -0.275 31.594 31.823 0.077 0.000 1.050 352 V HN 0.367 nan 8.190 nan 0.000 0.498 353 T N -0.684 113.884 114.554 0.025 0.000 0.541 353 T HA -0.242 4.123 4.350 0.025 0.000 0.774 353 T C 0.205 174.909 174.700 0.008 0.000 0.992 353 T CA 0.422 62.523 62.100 0.002 0.000 4.077 353 T CB -1.485 67.370 68.868 -0.023 0.000 2.303 353 T HN 0.368 nan 8.240 nan 0.000 0.398 354 S N 0.865 116.565 115.700 -0.000 0.000 2.650 354 S HA 0.598 5.083 4.470 0.025 0.000 0.240 354 S C 0.694 175.290 174.600 -0.006 0.000 1.007 354 S CA -0.025 58.179 58.200 0.006 0.000 0.984 354 S CB 0.737 63.945 63.200 0.013 0.000 0.910 354 S HN 1.267 nan 8.310 nan 0.000 0.509 355 G N 1.530 110.317 108.800 -0.022 0.000 2.695 355 G HA2 0.695 4.670 3.960 0.025 0.000 0.290 355 G HA3 0.695 4.670 3.960 0.025 0.000 0.290 355 G C -1.407 173.463 174.900 -0.050 0.000 1.410 355 G CA -0.864 44.212 45.100 -0.040 0.000 0.844 355 G HN 0.290 nan 8.290 nan 0.000 0.478 356 I N -1.885 118.643 120.570 -0.069 0.000 2.509 356 I HA 0.739 4.924 4.170 0.025 0.000 0.293 356 I C -0.276 175.789 176.117 -0.087 0.000 1.020 356 I CA -1.200 60.056 61.300 -0.074 0.000 1.088 356 I CB 2.457 40.407 38.000 -0.084 0.000 1.267 356 I HN 0.426 nan 8.210 nan 0.000 0.430 357 R N 5.928 126.383 120.500 -0.075 0.000 2.265 357 R HA 0.723 5.078 4.340 0.025 0.000 0.319 357 R C -1.462 174.791 176.300 -0.077 0.000 1.006 357 R CA -0.486 55.564 56.100 -0.083 0.000 0.880 357 R CB 1.048 31.305 30.300 -0.073 0.000 1.077 357 R HN 0.790 nan 8.270 nan 0.000 0.454 358 I N 3.075 123.589 120.570 -0.093 0.000 2.498 358 I HA 0.428 4.613 4.170 0.025 0.000 0.290 358 I C 0.214 176.283 176.117 -0.080 0.000 1.032 358 I CA -0.797 60.456 61.300 -0.078 0.000 1.073 358 I CB 2.350 40.298 38.000 -0.086 0.000 1.251 358 I HN 0.721 nan 8.210 nan 0.000 0.426 359 G N 1.675 110.451 108.800 -0.039 0.000 2.498 359 G HA2 0.528 4.503 3.960 0.025 0.000 0.312 359 G HA3 0.528 4.503 3.960 0.025 0.000 0.312 359 G C 0.236 175.147 174.900 0.018 0.000 1.230 359 G CA -0.317 44.779 45.100 -0.007 0.000 0.968 359 G HN 0.607 nan 8.290 nan 0.000 0.481 360 T N -2.192 112.389 114.554 0.044 0.000 3.023 360 T HA 0.340 4.704 4.350 0.025 0.000 0.253 360 T C 2.196 176.925 174.700 0.048 0.000 1.038 360 T CA 1.143 63.265 62.100 0.036 0.000 0.962 360 T CB 0.621 69.506 68.868 0.028 0.000 1.018 360 T HN 0.682 nan 8.240 nan 0.000 0.521 361 A N 1.882 124.751 122.820 0.080 0.000 1.940 361 A HA 0.231 4.566 4.320 0.025 0.000 0.219 361 A C 2.665 180.334 177.584 0.142 0.000 1.176 361 A CA 1.874 53.969 52.037 0.097 0.000 0.631 361 A CB -1.277 17.787 19.000 0.107 0.000 0.814 361 A HN 0.717 nan 8.150 nan 0.000 0.446 362 A N -0.200 122.643 122.820 0.039 0.000 1.854 362 A HA 0.052 4.386 4.320 0.025 0.000 0.214 362 A C 2.302 179.986 177.584 0.166 0.000 1.192 362 A CA 2.024 54.051 52.037 -0.017 0.000 0.611 362 A CB -1.234 17.607 19.000 -0.265 0.000 0.832 362 A HN 1.107 nan 8.150 nan 0.000 0.442 363 V N -2.422 117.495 119.914 0.004 0.000 2.626 363 V HA -0.149 3.986 4.120 0.025 0.000 0.252 363 V C 2.106 178.191 176.094 -0.015 0.000 1.067 363 V CA 2.546 64.704 62.300 -0.236 0.000 1.081 363 V CB -1.812 29.738 31.823 -0.455 0.000 0.686 363 V HN 0.417 nan 8.190 nan 0.000 0.468 364 T N 0.577 115.214 114.554 0.139 0.000 2.857 364 T HA -0.116 4.248 4.350 0.025 0.000 0.266 364 T C 1.933 176.847 174.700 0.356 0.000 1.048 364 T CA 1.995 64.234 62.100 0.232 0.000 1.139 364 T CB -0.551 68.389 68.868 0.119 0.000 0.874 364 T HN 0.646 nan 8.240 nan 0.000 0.455 365 T N 1.970 116.767 114.554 0.404 0.000 2.788 365 T HA -0.068 4.297 4.350 0.025 0.000 0.268 365 T C 2.118 176.918 174.700 0.166 0.000 1.044 365 T CA 0.937 63.188 62.100 0.252 0.000 1.139 365 T CB -0.147 68.867 68.868 0.244 0.000 0.867 365 T HN 0.366 nan 8.240 nan 0.000 0.454 366 R N 0.204 120.796 120.500 0.154 0.000 2.096 366 R HA 0.060 4.415 4.340 0.025 0.000 0.235 366 R C 1.970 178.379 176.300 0.180 0.000 1.127 366 R CA 1.193 57.338 56.100 0.076 0.000 0.968 366 R CB -0.074 30.201 30.300 -0.042 0.000 0.861 366 R HN 0.534 nan 8.270 nan 0.000 0.440 367 G N -1.247 107.712 108.800 0.266 0.000 2.370 367 G HA2 -0.166 3.808 3.960 0.025 0.000 0.174 367 G HA3 -0.166 3.808 3.960 0.025 0.000 0.174 367 G C 0.015 175.099 174.900 0.307 0.000 1.002 367 G CA -0.835 44.412 45.100 0.246 0.000 0.730 367 G HN 0.138 nan 8.290 nan 0.000 0.497 368 F N 1.506 121.491 119.950 0.059 0.000 2.538 368 F HA 0.446 4.989 4.527 0.026 0.000 0.371 368 F C 1.449 177.273 175.800 0.040 0.000 1.087 368 F CA 0.663 58.690 58.000 0.044 0.000 1.250 368 F CB 1.122 40.152 39.000 0.050 0.000 1.110 368 F HN 0.205 nan 8.300 nan 0.000 0.570 369 G N 2.601 111.468 108.800 0.112 0.000 3.209 369 G HA2 0.415 4.389 3.960 0.025 0.000 0.236 369 G HA3 0.415 4.389 3.960 0.025 0.000 0.236 369 G C 0.531 175.458 174.900 0.046 0.000 1.329 369 G CA -0.853 44.289 45.100 0.070 0.000 1.015 369 G HN 0.585 nan 8.290 nan 0.000 0.571 370 L N -0.077 121.162 121.223 0.027 0.000 2.079 370 L HA -0.079 4.275 4.340 0.025 0.000 0.210 370 L C 2.774 179.649 176.870 0.007 0.000 1.081 370 L CA 1.102 55.954 54.840 0.020 0.000 0.752 370 L CB -0.275 41.791 42.059 0.013 0.000 0.896 370 L HN 0.398 nan 8.230 nan 0.000 0.433 371 E N 0.408 120.600 120.200 -0.013 0.000 2.077 371 E HA -0.211 4.154 4.350 0.025 0.000 0.193 371 E C 2.127 178.698 176.600 -0.047 0.000 0.989 371 E CA 1.224 57.605 56.400 -0.031 0.000 0.800 371 E CB -0.129 29.543 29.700 -0.048 0.000 0.746 371 E HN 0.484 nan 8.360 nan 0.000 0.452 372 E N 0.081 120.231 120.200 -0.083 0.000 2.150 372 E HA -0.084 4.281 4.350 0.025 0.000 0.193 372 E C 1.930 178.545 176.600 0.026 0.000 0.985 372 E CA 0.678 57.002 56.400 -0.125 0.000 0.814 372 E CB -0.099 29.375 29.700 -0.377 0.000 0.752 372 E HN 0.147 nan 8.360 nan 0.000 0.466 373 M N 0.636 120.272 119.600 0.059 0.000 2.175 373 M HA -0.119 4.376 4.480 0.025 0.000 0.264 373 M C 1.241 177.571 176.300 0.050 0.000 1.063 373 M CA 1.281 56.626 55.300 0.076 0.000 1.119 373 M CB -0.740 31.898 32.600 0.063 0.000 1.377 373 M HN 0.064 nan 8.290 nan 0.000 0.415 374 D N 0.181 120.599 120.400 0.030 0.000 2.144 374 D HA -0.178 4.477 4.640 0.025 0.000 0.199 374 D C 1.989 178.307 176.300 0.030 0.000 0.984 374 D CA 1.292 55.308 54.000 0.027 0.000 0.834 374 D CB -0.111 40.698 40.800 0.014 0.000 0.955 374 D HN 0.384 nan 8.370 nan 0.000 0.465 375 E N 0.832 121.044 120.200 0.019 0.000 2.072 375 E HA -0.066 4.299 4.350 0.025 0.000 0.190 375 E C 2.195 178.821 176.600 0.044 0.000 0.982 375 E CA 0.539 56.951 56.400 0.020 0.000 0.803 375 E CB -0.357 29.338 29.700 -0.009 0.000 0.755 375 E HN 0.232 nan 8.360 nan 0.000 0.453 376 I N 0.620 121.229 120.570 0.065 0.000 2.163 376 I HA -0.313 3.871 4.170 0.025 0.000 0.243 376 I C 2.356 178.506 176.117 0.054 0.000 1.085 376 I CA 1.328 62.676 61.300 0.079 0.000 1.347 376 I CB -0.390 37.678 38.000 0.113 0.000 1.044 376 I HN 0.225 nan 8.210 nan 0.000 0.408 377 A N 0.423 123.275 122.820 0.053 0.000 1.969 377 A HA -0.103 4.232 4.320 0.025 0.000 0.218 377 A C 2.506 180.150 177.584 0.099 0.000 1.169 377 A CA 1.656 53.730 52.037 0.061 0.000 0.635 377 A CB -0.724 18.316 19.000 0.067 0.000 0.810 377 A HN 0.441 nan 8.150 nan 0.000 0.445 378 A N 0.024 122.891 122.820 0.079 0.000 1.930 378 A HA -0.040 4.295 4.320 0.025 0.000 0.217 378 A C 2.081 179.712 177.584 0.079 0.000 1.175 378 A CA 1.441 53.524 52.037 0.077 0.000 0.627 378 A CB -0.555 18.475 19.000 0.049 0.000 0.815 378 A HN 0.492 nan 8.150 nan 0.000 0.443 379 I N -0.384 120.225 120.570 0.066 0.000 2.202 379 I HA -0.242 3.943 4.170 0.025 0.000 0.242 379 I C 2.250 178.411 176.117 0.072 0.000 1.091 379 I CA 1.238 62.574 61.300 0.060 0.000 1.368 379 I CB -0.346 37.684 38.000 0.050 0.000 1.058 379 I HN 0.274 nan 8.210 nan 0.000 0.410 380 I N 0.865 121.476 120.570 0.068 0.000 2.208 380 I HA -0.249 3.936 4.170 0.025 0.000 0.245 380 I C 2.669 178.909 176.117 0.204 0.000 1.097 380 I CA 1.718 63.052 61.300 0.057 0.000 1.363 380 I CB -0.882 37.076 38.000 -0.070 0.000 1.051 380 I HN 0.285 nan 8.210 nan 0.000 0.413 381 G N 0.889 109.868 108.800 0.298 0.000 2.421 381 G HA2 -0.271 3.703 3.960 0.025 0.000 0.216 381 G HA3 -0.271 3.703 3.960 0.025 0.000 0.216 381 G C 1.653 176.651 174.900 0.163 0.000 1.171 381 G CA 0.720 46.018 45.100 0.329 0.000 0.775 381 G HN 0.279 nan 8.290 nan 0.000 0.543 382 L N 0.652 121.941 121.223 0.110 0.000 2.046 382 L HA -0.028 4.326 4.340 0.025 0.000 0.208 382 L C 2.894 179.806 176.870 0.070 0.000 1.077 382 L CA 1.454 56.335 54.840 0.069 0.000 0.747 382 L CB -0.359 41.731 42.059 0.052 0.000 0.896 382 L HN 0.094 nan 8.230 nan 0.000 0.432 383 V N -0.504 119.460 119.914 0.083 0.000 2.283 383 V HA -0.260 3.875 4.120 0.025 0.000 0.243 383 V C 2.392 178.538 176.094 0.086 0.000 1.039 383 V CA 2.001 64.343 62.300 0.071 0.000 1.016 383 V CB -0.498 31.359 31.823 0.057 0.000 0.650 383 V HN 0.409 nan 8.190 nan 0.000 0.449 384 L N -0.648 120.659 121.223 0.139 0.000 2.313 384 L HA -0.044 4.311 4.340 0.025 0.000 0.214 384 L C 2.246 179.192 176.870 0.126 0.000 1.119 384 L CA 1.164 56.102 54.840 0.163 0.000 0.809 384 L CB -0.456 41.775 42.059 0.285 0.000 0.933 384 L HN 0.288 nan 8.230 nan 0.000 0.449 385 K N 0.337 120.794 120.400 0.095 0.000 2.426 385 K HA 0.061 4.396 4.320 0.025 0.000 0.193 385 K C -0.117 176.497 176.600 0.023 0.000 1.028 385 K CA 0.323 56.626 56.287 0.027 0.000 1.047 385 K CB 0.165 32.652 32.500 -0.022 0.000 0.821 385 K HN 0.334 nan 8.250 nan 0.000 0.513 386 N N 0.013 118.735 118.700 0.037 0.000 2.672 386 N HA 0.052 4.807 4.740 0.025 0.000 0.295 386 N C 0.227 175.756 175.510 0.031 0.000 1.924 386 N CA -0.135 52.931 53.050 0.027 0.000 0.851 386 N CB 1.478 39.979 38.487 0.024 0.000 1.281 386 N HN -0.213 nan 8.380 nan 0.000 0.494 387 V N -0.368 119.567 119.914 0.033 0.000 2.515 387 V HA -0.086 4.049 4.120 0.025 0.000 0.250 387 V C 2.171 178.280 176.094 0.024 0.000 1.058 387 V CA 2.190 64.510 62.300 0.032 0.000 1.064 387 V CB -0.373 31.471 31.823 0.035 0.000 0.675 387 V HN 0.652 nan 8.190 nan 0.000 0.461 388 G N -1.216 107.597 108.800 0.021 0.000 2.985 388 G HA2 -0.033 3.942 3.960 0.025 0.000 0.209 388 G HA3 -0.033 3.942 3.960 0.025 0.000 0.209 388 G C 0.753 175.662 174.900 0.015 0.000 1.165 388 G CA 0.643 45.753 45.100 0.016 0.000 0.776 388 G HN 0.438 nan 8.290 nan 0.000 0.541 389 S N 0.303 116.013 115.700 0.016 0.000 2.420 389 S HA 0.323 4.808 4.470 0.025 0.000 0.313 389 S C 1.042 175.651 174.600 0.016 0.000 1.079 389 S CA -0.589 57.620 58.200 0.015 0.000 1.104 389 S CB 0.944 64.153 63.200 0.014 0.000 0.969 389 S HN 0.178 nan 8.310 nan 0.000 0.471 390 E N 3.380 123.588 120.200 0.014 0.000 2.274 390 E HA -0.145 4.220 4.350 0.025 0.000 0.194 390 E C 2.051 178.660 176.600 0.014 0.000 0.996 390 E CA 0.769 57.178 56.400 0.014 0.000 0.840 390 E CB -0.001 29.706 29.700 0.012 0.000 0.772 390 E HN 0.950 nan 8.360 nan 0.000 0.491 391 Q N 0.100 119.908 119.800 0.013 0.000 2.172 391 Q HA 0.025 4.380 4.340 0.025 0.000 0.200 391 Q C 1.967 177.976 176.000 0.014 0.000 0.964 391 Q CA 1.371 57.181 55.803 0.012 0.000 0.855 391 Q CB -0.197 28.547 28.738 0.010 0.000 0.918 391 Q HN 0.105 nan 8.270 nan 0.000 0.444 392 A N 1.656 124.486 122.820 0.016 0.000 1.929 392 A HA 0.028 4.362 4.320 0.025 0.000 0.216 392 A C 2.184 179.781 177.584 0.023 0.000 1.176 392 A CA 0.719 52.767 52.037 0.020 0.000 0.628 392 A CB -0.443 18.570 19.000 0.022 0.000 0.816 392 A HN 0.354 nan 8.150 nan 0.000 0.444 393 L N -0.811 120.426 121.223 0.022 0.000 2.217 393 L HA -0.105 4.250 4.340 0.025 0.000 0.211 393 L C 2.518 179.400 176.870 0.021 0.000 1.107 393 L CA 1.441 56.294 54.840 0.023 0.000 0.783 393 L CB -0.393 41.679 42.059 0.022 0.000 0.919 393 L HN 0.431 nan 8.230 nan 0.000 0.442 394 E N 0.931 121.142 120.200 0.018 0.000 2.072 394 E HA -0.244 4.121 4.350 0.025 0.000 0.190 394 E C 2.020 178.630 176.600 0.017 0.000 0.982 394 E CA 1.285 57.695 56.400 0.016 0.000 0.803 394 E CB 0.028 29.737 29.700 0.014 0.000 0.755 394 E HN 0.392 nan 8.360 nan 0.000 0.453 395 E N -0.429 119.781 120.200 0.017 0.000 2.077 395 E HA -0.197 4.168 4.350 0.025 0.000 0.193 395 E C 1.890 178.502 176.600 0.020 0.000 0.989 395 E CA 1.070 57.480 56.400 0.017 0.000 0.800 395 E CB -0.211 29.499 29.700 0.017 0.000 0.746 395 E HN 0.330 nan 8.360 nan 0.000 0.452 396 A N 1.316 124.150 122.820 0.024 0.000 1.902 396 A HA -0.176 4.158 4.320 0.025 0.000 0.217 396 A C 2.188 179.788 177.584 0.027 0.000 1.181 396 A CA 1.465 53.519 52.037 0.028 0.000 0.623 396 A CB -0.519 18.500 19.000 0.032 0.000 0.818 396 A HN 0.192 nan 8.150 nan 0.000 0.443 397 R N -0.526 119.989 120.500 0.024 0.000 2.091 397 R HA -0.182 4.172 4.340 0.025 0.000 0.238 397 R C 2.353 178.666 176.300 0.023 0.000 1.136 397 R CA 1.942 58.056 56.100 0.023 0.000 0.959 397 R CB -0.240 30.072 30.300 0.020 0.000 0.856 397 R HN 0.705 nan 8.270 nan 0.000 0.437 398 Q N -0.753 119.059 119.800 0.020 0.000 2.123 398 Q HA -0.094 4.260 4.340 0.025 0.000 0.199 398 Q C 2.104 178.114 176.000 0.018 0.000 0.966 398 Q CA 1.188 57.002 55.803 0.018 0.000 0.845 398 Q CB 0.118 28.865 28.738 0.014 0.000 0.907 398 Q HN 0.286 nan 8.270 nan 0.000 0.439 399 R N -0.286 120.225 120.500 0.020 0.000 2.115 399 R HA -0.048 4.307 4.340 0.025 0.000 0.226 399 R C 2.216 178.532 176.300 0.027 0.000 1.100 399 R CA 0.760 56.871 56.100 0.019 0.000 0.980 399 R CB -0.043 30.269 30.300 0.020 0.000 0.875 399 R HN 0.066 nan 8.270 nan 0.000 0.445 400 V N 0.872 120.807 119.914 0.035 0.000 2.358 400 V HA -0.213 3.921 4.120 0.025 0.000 0.246 400 V C 2.368 178.489 176.094 0.044 0.000 1.047 400 V CA 1.991 64.320 62.300 0.049 0.000 1.035 400 V CB -0.572 31.278 31.823 0.045 0.000 0.658 400 V HN 0.388 nan 8.190 nan 0.000 0.452 401 A N -0.110 122.728 122.820 0.030 0.000 1.972 401 A HA -0.081 4.254 4.320 0.025 0.000 0.219 401 A C 2.366 179.962 177.584 0.019 0.000 1.169 401 A CA 1.932 53.984 52.037 0.025 0.000 0.635 401 A CB -0.612 18.402 19.000 0.023 0.000 0.810 401 A HN 0.565 nan 8.150 nan 0.000 0.446 402 A N -0.512 122.316 122.820 0.014 0.000 1.968 402 A HA 0.083 4.418 4.320 0.025 0.000 0.217 402 A C 2.105 179.680 177.584 -0.014 0.000 1.169 402 A CA 1.217 53.254 52.037 0.001 0.000 0.638 402 A CB -0.438 18.560 19.000 -0.005 0.000 0.812 402 A HN 0.459 nan 8.150 nan 0.000 0.446 403 L N -0.059 121.162 121.223 -0.004 0.000 2.109 403 L HA -0.076 4.279 4.340 0.025 0.000 0.207 403 L C 1.909 178.804 176.870 0.041 0.000 1.086 403 L CA 1.537 56.358 54.840 -0.031 0.000 0.760 403 L CB -0.365 41.715 42.059 0.035 0.000 0.910 403 L HN 0.567 nan 8.230 nan 0.000 0.437 404 T N -3.181 111.415 114.554 0.069 0.000 3.268 404 T HA 0.258 4.622 4.350 0.025 0.000 0.244 404 T C -0.013 174.655 174.700 -0.052 0.000 0.915 404 T CA -0.448 61.655 62.100 0.006 0.000 0.935 404 T CB -0.193 68.633 68.868 -0.069 0.000 1.110 404 T HN 0.321 nan 8.240 nan 0.000 0.573 405 D N 0.000 120.400 120.400 0.000 0.000 6.856 405 D HA 0.000 4.655 4.640 0.025 0.000 0.175 405 D CA 0.000 54.019 54.000 0.032 0.000 0.868 405 D CB 0.000 40.854 40.800 0.090 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683