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 2wgd_1_A DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAC SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.570 174.600 -0.051 0.000 1.055 2 S CA 0.000 58.179 58.200 -0.034 0.000 1.107 2 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 3 Q N 1.260 121.031 119.800 -0.048 0.000 2.394 3 Q HA 0.389 4.729 4.340 0.001 0.000 0.248 3 Q C -2.286 173.631 176.000 -0.137 0.000 0.992 3 Q CA -1.426 54.337 55.803 -0.067 0.000 0.888 3 Q CB -0.042 28.680 28.738 -0.025 0.000 1.257 3 Q HN 0.555 nan 8.270 nan 0.000 0.462 4 P HA 0.002 nan 4.420 nan 0.000 0.269 4 P C -0.629 176.328 177.300 -0.571 0.000 1.209 4 P CA 0.129 62.915 63.100 -0.523 0.000 0.776 4 P CB 0.771 31.952 31.700 -0.865 0.000 0.876 5 S N -0.047 115.390 115.700 -0.438 0.000 2.607 5 S HA 0.366 4.836 4.470 0.001 0.000 0.273 5 S C 0.963 175.625 174.600 0.104 0.000 1.148 5 S CA -0.456 57.707 58.200 -0.061 0.000 0.833 5 S CB 0.982 64.203 63.200 0.034 0.000 1.130 5 S HN 0.296 nan 8.310 nan 0.000 0.470 6 T N 1.695 116.485 114.554 0.393 0.000 2.708 6 T HA -0.002 4.348 4.350 0.001 0.000 0.266 6 T C 2.192 176.992 174.700 0.167 0.000 1.037 6 T CA 1.859 64.160 62.100 0.336 0.000 1.146 6 T CB -0.930 68.149 68.868 0.352 0.000 0.865 6 T HN 0.909 nan 8.240 nan 0.000 0.435 7 A N 2.984 125.872 122.820 0.114 0.000 1.940 7 A HA -0.160 4.160 4.320 0.001 0.000 0.219 7 A C 1.969 179.580 177.584 0.044 0.000 1.176 7 A CA 1.945 54.023 52.037 0.069 0.000 0.631 7 A CB -0.651 18.367 19.000 0.031 0.000 0.814 7 A HN 0.660 nan 8.150 nan 0.000 0.446 8 N N -1.225 117.487 118.700 0.019 0.000 2.383 8 N HA 0.256 4.996 4.740 0.001 0.000 0.192 8 N C 0.984 176.485 175.510 -0.015 0.000 1.141 8 N CA 1.172 54.217 53.050 -0.008 0.000 0.851 8 N CB -0.285 38.183 38.487 -0.033 0.000 0.976 8 N HN 0.786 nan 8.380 nan 0.000 0.465 9 G N -1.284 107.522 108.800 0.009 0.000 2.184 9 G HA2 -0.291 3.669 3.960 0.001 0.000 0.264 9 G HA3 -0.291 3.669 3.960 0.001 0.000 0.264 9 G C 1.080 175.958 174.900 -0.037 0.000 0.975 9 G CA 0.383 45.489 45.100 0.011 0.000 0.642 9 G HN 0.687 nan 8.290 nan 0.000 0.536 10 G N -0.473 108.247 108.800 -0.134 0.000 2.432 10 G HA2 0.228 4.188 3.960 0.001 0.000 0.219 10 G HA3 0.228 4.188 3.960 0.001 0.000 0.219 10 G C 0.513 175.217 174.900 -0.327 0.000 1.135 10 G CA 1.051 45.980 45.100 -0.285 0.000 0.767 10 G HN 0.481 nan 8.290 nan 0.000 0.550 11 F N 1.200 121.164 119.950 0.023 0.000 2.492 11 F HA 0.466 4.993 4.527 0.001 0.000 0.327 11 F C -1.848 173.955 175.800 0.004 0.000 1.079 11 F CA -3.417 54.576 58.000 -0.012 0.000 0.967 11 F CB 1.616 40.629 39.000 0.021 0.000 1.169 11 F HN -0.188 nan 8.300 nan 0.000 0.472 12 P HA 0.019 nan 4.420 nan 0.000 0.269 12 P C -0.377 177.007 177.300 0.140 0.000 1.215 12 P CA -0.222 62.944 63.100 0.110 0.000 0.780 12 P CB 0.978 32.707 31.700 0.048 0.000 0.898 13 S N 1.120 116.902 115.700 0.138 0.000 2.510 13 S HA 0.253 4.724 4.470 0.001 0.000 0.279 13 S C -0.280 174.408 174.600 0.146 0.000 1.284 13 S CA -0.470 57.829 58.200 0.165 0.000 1.059 13 S CB -0.413 62.882 63.200 0.158 0.000 0.901 13 S HN 0.220 nan 8.310 nan 0.000 0.491 14 V N 6.264 126.288 119.914 0.183 0.000 2.540 14 V HA 0.629 4.749 4.120 0.001 0.000 0.302 14 V C -0.123 176.071 176.094 0.166 0.000 1.035 14 V CA -0.680 61.718 62.300 0.163 0.000 0.873 14 V CB 1.613 33.567 31.823 0.219 0.000 0.992 14 V HN 0.864 nan 8.190 nan 0.000 0.428 15 V N 2.673 122.654 119.914 0.112 0.000 2.914 15 V HA 0.769 4.889 4.120 0.001 0.000 0.314 15 V C -0.481 175.648 176.094 0.058 0.000 1.084 15 V CA -0.904 61.442 62.300 0.076 0.000 0.963 15 V CB 1.973 33.782 31.823 -0.022 0.000 1.025 15 V HN 0.464 nan 8.190 nan 0.000 0.432 16 V N 3.259 123.208 119.914 0.058 0.000 2.383 16 V HA 0.426 4.546 4.120 0.001 0.000 0.275 16 V C 1.291 177.360 176.094 -0.041 0.000 1.036 16 V CA 0.620 62.946 62.300 0.043 0.000 0.889 16 V CB 0.821 32.689 31.823 0.075 0.000 0.985 16 V HN 1.183 nan 8.190 nan 0.000 0.459 17 T N 0.579 115.104 114.554 -0.048 0.000 2.985 17 T HA 0.644 4.994 4.350 0.001 0.000 0.254 17 T C 0.331 174.978 174.700 -0.089 0.000 1.021 17 T CA 0.477 62.523 62.100 -0.090 0.000 0.957 17 T CB 0.635 69.448 68.868 -0.093 0.000 1.047 17 T HN 1.017 nan 8.240 nan 0.000 0.511 18 A N 0.904 123.687 122.820 -0.062 0.000 2.604 18 A HA 0.763 5.084 4.320 0.001 0.000 0.295 18 A C -1.252 176.312 177.584 -0.034 0.000 1.067 18 A CA -0.549 51.452 52.037 -0.060 0.000 0.683 18 A CB 1.576 20.534 19.000 -0.070 0.000 1.281 18 A HN 1.091 nan 8.150 nan 0.000 0.407 19 V N -1.914 117.977 119.914 -0.039 0.000 2.971 19 V HA 0.974 5.095 4.120 0.001 0.000 0.309 19 V C -0.595 175.488 176.094 -0.018 0.000 1.130 19 V CA -0.127 62.155 62.300 -0.031 0.000 0.964 19 V CB 1.330 33.109 31.823 -0.074 0.000 1.029 19 V HN 1.581 nan 8.190 nan 0.000 0.427 20 T N 1.592 116.146 114.554 -0.001 0.000 2.916 20 T HA 0.909 5.259 4.350 0.001 0.000 0.305 20 T C -0.830 173.876 174.700 0.010 0.000 1.119 20 T CA 0.348 62.452 62.100 0.006 0.000 1.008 20 T CB 1.560 70.440 68.868 0.020 0.000 1.129 20 T HN 2.268 nan 8.240 nan 0.000 0.480 21 A N 1.989 124.817 122.820 0.014 0.000 2.605 21 A HA 0.733 5.053 4.320 0.001 0.000 0.294 21 A C -0.681 176.923 177.584 0.034 0.000 1.062 21 A CA -0.650 51.401 52.037 0.025 0.000 0.682 21 A CB 1.911 20.927 19.000 0.027 0.000 1.278 21 A HN 0.761 nan 8.150 nan 0.000 0.410 22 T N 0.971 115.550 114.554 0.042 0.000 2.807 22 T HA 0.779 5.129 4.350 0.001 0.000 0.279 22 T C -0.062 174.683 174.700 0.076 0.000 0.993 22 T CA 0.512 62.647 62.100 0.058 0.000 0.970 22 T CB 0.799 69.699 68.868 0.053 0.000 0.950 22 T HN 1.791 nan 8.240 nan 0.000 0.441 23 T N 0.105 114.711 114.554 0.087 0.000 2.804 23 T HA 0.443 4.794 4.350 0.001 0.000 0.290 23 T C 1.456 176.215 174.700 0.099 0.000 1.099 23 T CA 0.006 62.159 62.100 0.089 0.000 1.011 23 T CB 0.984 69.902 68.868 0.083 0.000 1.291 23 T HN 0.486 nan 8.240 nan 0.000 0.523 24 S N -0.247 115.506 115.700 0.088 0.000 2.474 24 S HA 0.026 4.496 4.470 0.001 0.000 0.235 24 S C 1.683 176.342 174.600 0.098 0.000 0.997 24 S CA 0.497 58.750 58.200 0.088 0.000 0.949 24 S CB -0.890 62.332 63.200 0.036 0.000 0.766 24 S HN 0.621 nan 8.310 nan 0.000 0.517 25 I N 0.099 120.724 120.570 0.092 0.000 2.628 25 I HA 0.177 4.347 4.170 0.001 0.000 0.255 25 I C 1.114 177.293 176.117 0.104 0.000 1.119 25 I CA 0.429 61.790 61.300 0.101 0.000 1.448 25 I CB 0.315 38.369 38.000 0.089 0.000 1.133 25 I HN 0.337 nan 8.210 nan 0.000 0.438 26 S N -0.831 114.928 115.700 0.100 0.000 2.552 26 S HA 0.316 4.787 4.470 0.001 0.000 0.272 26 S C -2.325 172.330 174.600 0.091 0.000 1.150 26 S CA -0.918 57.340 58.200 0.095 0.000 0.849 26 S CB 1.720 64.974 63.200 0.090 0.000 1.113 26 S HN -0.180 nan 8.310 nan 0.000 0.458 27 P HA 0.121 nan 4.420 nan 0.000 0.236 27 P C -0.257 177.077 177.300 0.056 0.000 1.177 27 P CA 0.590 63.735 63.100 0.075 0.000 0.773 27 P CB -0.245 31.511 31.700 0.093 0.000 0.878 28 D N 0.014 120.452 120.400 0.064 0.000 2.349 28 D HA 0.098 4.738 4.640 0.001 0.000 0.232 28 D C 0.974 177.315 176.300 0.068 0.000 1.071 28 D CA -0.745 53.289 54.000 0.056 0.000 0.832 28 D CB 0.623 41.458 40.800 0.059 0.000 1.086 28 D HN -0.274 nan 8.370 nan 0.000 0.504 29 I N 3.598 124.200 120.570 0.053 0.000 2.264 29 I HA -0.192 3.978 4.170 0.001 0.000 0.248 29 I C 1.607 177.785 176.117 0.101 0.000 1.111 29 I CA 1.614 62.950 61.300 0.059 0.000 1.382 29 I CB -0.001 38.005 38.000 0.009 0.000 1.060 29 I HN 0.457 nan 8.210 nan 0.000 0.418 30 E N 0.132 120.385 120.200 0.089 0.000 2.150 30 E HA -0.122 4.229 4.350 0.001 0.000 0.193 30 E C 2.323 179.033 176.600 0.182 0.000 0.985 30 E CA 1.351 57.838 56.400 0.144 0.000 0.814 30 E CB -0.330 29.427 29.700 0.096 0.000 0.752 30 E HN 0.505 nan 8.360 nan 0.000 0.466 31 S N 0.369 116.145 115.700 0.127 0.000 2.395 31 S HA -0.064 4.406 4.470 0.001 0.000 0.225 31 S C 2.090 176.762 174.600 0.120 0.000 1.027 31 S CA 1.095 59.360 58.200 0.108 0.000 0.965 31 S CB -0.203 63.047 63.200 0.082 0.000 0.812 31 S HN 0.253 nan 8.310 nan 0.000 0.482 32 T N 1.481 116.119 114.554 0.140 0.000 2.684 32 T HA -0.171 4.179 4.350 0.001 0.000 0.267 32 T C 1.321 176.145 174.700 0.206 0.000 1.036 32 T CA 1.223 63.415 62.100 0.153 0.000 1.148 32 T CB -0.354 68.605 68.868 0.153 0.000 0.863 32 T HN 0.609 nan 8.240 nan 0.000 0.436 33 W N 2.001 123.310 121.300 0.015 0.000 2.335 33 W HA -0.169 4.491 4.660 -0.000 0.000 0.311 33 W C 2.108 178.623 176.519 -0.006 0.000 1.213 33 W CA 1.213 58.557 57.345 -0.001 0.000 1.274 33 W CB -0.154 29.299 29.460 -0.011 0.000 1.148 33 W HN 0.258 nan 8.180 nan 0.000 0.498 34 K N -0.225 120.186 120.400 0.019 0.000 2.063 34 K HA -0.164 4.156 4.320 0.001 0.000 0.208 34 K C 2.289 178.829 176.600 -0.100 0.000 1.048 34 K CA 1.643 57.874 56.287 -0.094 0.000 0.928 34 K CB -0.946 31.559 32.500 0.007 0.000 0.713 34 K HN 0.248 nan 8.250 nan 0.000 0.442 35 G N 1.417 110.202 108.800 -0.025 0.000 2.418 35 G HA2 -0.226 3.734 3.960 0.001 0.000 0.217 35 G HA3 -0.226 3.734 3.960 0.001 0.000 0.217 35 G C 1.496 176.367 174.900 -0.048 0.000 1.158 35 G CA 0.587 45.678 45.100 -0.014 0.000 0.771 35 G HN 0.090 nan 8.290 nan 0.000 0.545 36 L N -0.083 121.102 121.223 -0.064 0.000 2.012 36 L HA -0.065 4.276 4.340 0.001 0.000 0.210 36 L C 2.926 179.664 176.870 -0.220 0.000 1.073 36 L CA 0.756 55.543 54.840 -0.088 0.000 0.748 36 L CB -0.471 41.561 42.059 -0.044 0.000 0.891 36 L HN 0.185 nan 8.230 nan 0.000 0.431 37 L N -0.303 120.685 121.223 -0.391 0.000 2.131 37 L HA -0.179 4.161 4.340 0.001 0.000 0.210 37 L C 2.557 179.300 176.870 -0.212 0.000 1.092 37 L CA 1.030 55.625 54.840 -0.409 0.000 0.759 37 L CB -0.627 41.113 42.059 -0.533 0.000 0.903 37 L HN 0.248 nan 8.230 nan 0.000 0.435 38 A N -0.476 122.259 122.820 -0.141 0.000 2.235 38 A HA 0.270 4.590 4.320 0.001 0.000 0.208 38 A C 1.725 179.283 177.584 -0.043 0.000 1.172 38 A CA 0.726 52.721 52.037 -0.071 0.000 0.786 38 A CB -0.508 18.467 19.000 -0.042 0.000 0.804 38 A HN 0.532 nan 8.150 nan 0.000 0.479 39 G N -0.441 108.329 108.800 -0.050 0.000 2.136 39 G HA2 -0.275 3.685 3.960 0.001 0.000 0.242 39 G HA3 -0.275 3.685 3.960 0.001 0.000 0.242 39 G C -0.005 174.902 174.900 0.012 0.000 0.989 39 G CA 0.422 45.514 45.100 -0.014 0.000 0.682 39 G HN 0.828 nan 8.290 nan 0.000 0.522 40 E N 0.495 120.702 120.200 0.012 0.000 2.383 40 E HA 0.542 4.893 4.350 0.001 0.000 0.264 40 E C 0.349 176.976 176.600 0.045 0.000 1.050 40 E CA 0.226 56.649 56.400 0.038 0.000 0.896 40 E CB 0.639 30.365 29.700 0.043 0.000 0.982 40 E HN 0.299 nan 8.360 nan 0.000 0.424 41 S N 1.910 117.643 115.700 0.055 0.000 2.503 41 S HA 0.503 4.974 4.470 0.001 0.000 0.301 41 S C 0.502 175.097 174.600 -0.008 0.000 1.087 41 S CA -0.198 58.016 58.200 0.024 0.000 1.042 41 S CB 1.531 64.741 63.200 0.017 0.000 1.043 41 S HN 0.637 nan 8.310 nan 0.000 0.489 42 G N 3.084 111.840 108.800 -0.073 0.000 2.985 42 G HA2 0.201 4.161 3.960 0.001 0.000 0.209 42 G HA3 0.201 4.161 3.960 0.001 0.000 0.209 42 G C 0.115 174.711 174.900 -0.506 0.000 1.165 42 G CA -0.027 44.970 45.100 -0.172 0.000 0.776 42 G HN 0.597 nan 8.290 nan 0.000 0.541 43 I N 2.080 122.362 120.570 -0.479 0.000 2.315 43 I HA 0.455 4.625 4.170 0.001 0.000 0.291 43 I C -0.261 175.581 176.117 -0.459 0.000 1.006 43 I CA -1.009 60.062 61.300 -0.381 0.000 1.265 43 I CB 0.520 38.442 38.000 -0.129 0.000 1.387 43 I HN 0.069 nan 8.210 nan 0.000 0.475 44 H N 3.354 122.449 119.070 0.042 0.000 2.931 44 H HA 0.615 5.171 4.556 0.001 0.000 0.331 44 H C -0.287 175.064 175.328 0.038 0.000 1.273 44 H CA -1.070 55.003 56.048 0.042 0.000 1.171 44 H CB 1.353 31.147 29.762 0.053 0.000 1.898 44 H HN 0.576 nan 8.280 nan 0.000 0.562 45 A N 1.320 124.249 122.820 0.181 0.000 2.511 45 A HA 0.230 4.550 4.320 0.001 0.000 0.242 45 A C 0.297 177.946 177.584 0.108 0.000 1.069 45 A CA -0.245 51.855 52.037 0.105 0.000 0.763 45 A CB -0.487 18.556 19.000 0.071 0.000 1.001 45 A HN 0.468 nan 8.150 nan 0.000 0.498 46 L N 2.654 123.923 121.223 0.076 0.000 2.360 46 L HA 0.143 4.483 4.340 0.001 0.000 0.276 46 L C 1.020 177.901 176.870 0.019 0.000 1.121 46 L CA 0.079 54.961 54.840 0.069 0.000 0.845 46 L CB 0.736 42.822 42.059 0.044 0.000 1.143 46 L HN 0.867 nan 8.230 nan 0.000 0.452 47 E N 1.092 121.307 120.200 0.025 0.000 2.474 47 E HA 0.031 4.382 4.350 0.001 0.000 0.195 47 E C -0.517 176.011 176.600 -0.120 0.000 1.039 47 E CA -0.169 56.211 56.400 -0.033 0.000 0.881 47 E CB 0.332 30.026 29.700 -0.010 0.000 0.970 47 E HN 0.709 nan 8.360 nan 0.000 0.486 48 D N 1.881 122.146 120.400 -0.226 0.000 2.414 48 D HA -0.026 4.615 4.640 0.001 0.000 0.242 48 D C 1.096 177.124 176.300 -0.454 0.000 1.129 48 D CA 0.166 53.899 54.000 -0.446 0.000 0.885 48 D CB 0.816 41.036 40.800 -0.968 0.000 1.198 48 D HN -0.079 nan 8.370 nan 0.000 0.437 49 E N 1.407 121.433 120.200 -0.291 0.000 2.274 49 E HA -0.114 4.236 4.350 0.001 0.000 0.194 49 E C 1.844 178.367 176.600 -0.128 0.000 0.996 49 E CA 0.476 56.777 56.400 -0.166 0.000 0.840 49 E CB -0.211 29.435 29.700 -0.091 0.000 0.772 49 E HN 0.664 nan 8.360 nan 0.000 0.491 50 F N 0.136 120.101 119.950 0.025 0.000 2.333 50 F HA -0.087 4.440 4.527 0.000 0.000 0.300 50 F C 1.957 177.844 175.800 0.146 0.000 1.083 50 F CA 0.288 58.327 58.000 0.066 0.000 1.395 50 F CB -1.151 38.004 39.000 0.258 0.000 1.056 50 F HN -0.229 nan 8.300 nan 0.000 0.529 51 V N 1.280 121.229 119.914 0.060 0.000 2.270 51 V HA -0.270 3.851 4.120 0.001 0.000 0.245 51 V C 2.842 179.009 176.094 0.122 0.000 1.043 51 V CA 2.568 64.971 62.300 0.172 0.000 1.014 51 V CB -1.340 30.481 31.823 -0.003 0.000 0.645 51 V HN 0.648 nan 8.190 nan 0.000 0.447 52 T N -1.607 112.952 114.554 0.008 0.000 2.857 52 T HA -0.212 4.138 4.350 0.001 0.000 0.266 52 T C 1.897 176.567 174.700 -0.049 0.000 1.048 52 T CA 1.565 63.659 62.100 -0.011 0.000 1.139 52 T CB -0.287 68.557 68.868 -0.041 0.000 0.874 52 T HN 0.419 nan 8.240 nan 0.000 0.455 53 K N 0.074 120.388 120.400 -0.144 0.000 2.044 53 K HA -0.136 4.184 4.320 0.001 0.000 0.210 53 K C 1.619 178.007 176.600 -0.353 0.000 1.049 53 K CA 1.808 57.876 56.287 -0.364 0.000 0.927 53 K CB -0.296 31.814 32.500 -0.650 0.000 0.713 53 K HN 0.650 nan 8.250 nan 0.000 0.443 54 W N 0.612 121.970 121.300 0.096 0.000 3.278 54 W HA 0.097 4.757 4.660 0.001 0.000 0.308 54 W C -0.092 176.467 176.519 0.066 0.000 1.253 54 W CA -0.432 56.962 57.345 0.081 0.000 1.759 54 W CB 0.398 29.920 29.460 0.102 0.000 1.093 54 W HN 0.214 nan 8.180 nan 0.000 0.648 55 D N 1.424 121.960 120.400 0.225 0.000 2.697 55 D HA -0.203 4.437 4.640 0.001 0.000 0.235 55 D C -0.170 176.234 176.300 0.174 0.000 1.167 55 D CA 0.574 54.667 54.000 0.155 0.000 0.656 55 D CB -1.071 39.794 40.800 0.109 0.000 1.025 55 D HN 0.082 nan 8.370 nan 0.000 0.419 56 L N -0.116 121.240 121.223 0.222 0.000 2.485 56 L HA 0.242 4.582 4.340 0.001 0.000 0.275 56 L C 2.124 179.066 176.870 0.121 0.000 1.207 56 L CA 0.137 55.092 54.840 0.191 0.000 0.855 56 L CB 0.477 42.687 42.059 0.251 0.000 1.114 56 L HN 0.253 nan 8.230 nan 0.000 0.485 57 A N 3.718 126.588 122.820 0.083 0.000 1.933 57 A HA -0.024 4.296 4.320 0.001 0.000 0.218 57 A C 0.874 178.485 177.584 0.044 0.000 1.175 57 A CA 0.828 52.895 52.037 0.049 0.000 0.628 57 A CB -0.179 18.835 19.000 0.024 0.000 0.814 57 A HN 0.418 nan 8.150 nan 0.000 0.444 58 V N 0.689 120.638 119.914 0.058 0.000 2.406 58 V HA 0.216 4.337 4.120 0.001 0.000 0.272 58 V C 0.387 176.541 176.094 0.099 0.000 1.043 58 V CA -0.095 62.238 62.300 0.054 0.000 0.915 58 V CB 1.155 33.001 31.823 0.039 0.000 0.988 58 V HN 0.433 nan 8.190 nan 0.000 0.466 59 K N 5.748 126.193 120.400 0.075 0.000 2.676 59 K HA 0.435 4.755 4.320 0.001 0.000 0.205 59 K C -0.345 176.295 176.600 0.067 0.000 1.084 59 K CA -0.044 56.290 56.287 0.078 0.000 1.057 59 K CB 0.616 33.151 32.500 0.058 0.000 0.791 59 K HN 0.755 nan 8.250 nan 0.000 0.484 60 I N -3.693 116.918 120.570 0.068 0.000 2.969 60 I HA 0.859 5.030 4.170 0.001 0.000 0.307 60 I C -0.375 175.774 176.117 0.054 0.000 1.149 60 I CA -1.023 60.308 61.300 0.053 0.000 1.008 60 I CB 2.493 40.513 38.000 0.033 0.000 1.232 60 I HN 0.024 nan 8.210 nan 0.000 0.435 61 G N 1.372 110.184 108.800 0.021 0.000 2.316 61 G HA2 0.489 4.449 3.960 0.001 0.000 0.296 61 G HA3 0.489 4.449 3.960 0.001 0.000 0.296 61 G C -1.410 173.444 174.900 -0.076 0.000 1.399 61 G CA -0.287 44.815 45.100 0.004 0.000 0.833 61 G HN 1.041 nan 8.290 nan 0.000 0.565 62 G N 0.144 108.898 108.800 -0.076 0.000 2.788 62 G HA2 0.565 4.525 3.960 0.001 0.000 0.327 62 G HA3 0.565 4.525 3.960 0.001 0.000 0.327 62 G C -0.293 174.584 174.900 -0.039 0.000 1.249 62 G CA -0.468 44.585 45.100 -0.079 0.000 1.063 62 G HN 0.593 nan 8.290 nan 0.000 0.497 63 H N 1.611 120.734 119.070 0.088 0.000 2.771 63 H HA 0.101 4.657 4.556 0.001 0.000 0.364 63 H C 0.945 176.332 175.328 0.098 0.000 1.133 63 H CA 0.067 56.172 56.048 0.094 0.000 1.423 63 H CB 1.413 31.233 29.762 0.098 0.000 1.425 63 H HN 0.263 nan 8.280 nan 0.000 0.606 64 L N 2.348 123.718 121.223 0.245 0.000 2.525 64 L HA -0.128 4.212 4.340 0.001 0.000 0.278 64 L C 1.832 178.807 176.870 0.175 0.000 1.218 64 L CA 0.050 55.001 54.840 0.184 0.000 0.878 64 L CB 0.344 42.513 42.059 0.183 0.000 1.127 64 L HN 0.565 nan 8.230 nan 0.000 0.492 65 K N 2.030 122.521 120.400 0.152 0.000 2.063 65 K HA -0.176 4.144 4.320 0.001 0.000 0.208 65 K C 0.319 176.992 176.600 0.123 0.000 1.048 65 K CA 1.515 57.886 56.287 0.139 0.000 0.928 65 K CB -0.023 32.552 32.500 0.125 0.000 0.713 65 K HN 0.600 nan 8.250 nan 0.000 0.442 66 D N 0.512 120.992 120.400 0.133 0.000 2.461 66 D HA 0.234 4.874 4.640 0.001 0.000 0.240 66 D C -2.662 173.738 176.300 0.166 0.000 1.094 66 D CA -2.715 51.370 54.000 0.142 0.000 0.868 66 D CB 1.017 41.926 40.800 0.181 0.000 1.062 66 D HN -0.035 nan 8.370 nan 0.000 0.530 67 P HA -0.039 nan 4.420 nan 0.000 0.268 67 P C 1.287 178.710 177.300 0.204 0.000 1.204 67 P CA -0.391 62.805 63.100 0.160 0.000 0.768 67 P CB 1.271 33.036 31.700 0.109 0.000 0.842 68 V N 2.372 122.410 119.914 0.206 0.000 2.278 68 V HA -0.263 3.857 4.120 0.001 0.000 0.251 68 V C 1.654 177.841 176.094 0.155 0.000 1.062 68 V CA 2.270 64.654 62.300 0.140 0.000 1.038 68 V CB -0.932 30.836 31.823 -0.091 0.000 0.646 68 V HN 0.542 nan 8.190 nan 0.000 0.447 69 D N -0.175 120.303 120.400 0.130 0.000 2.348 69 D HA -0.063 4.577 4.640 0.001 0.000 0.216 69 D C 2.271 178.600 176.300 0.048 0.000 0.970 69 D CA 1.223 55.277 54.000 0.090 0.000 0.889 69 D CB -0.144 40.723 40.800 0.112 0.000 0.912 69 D HN 0.628 nan 8.370 nan 0.000 0.524 70 S N -0.411 115.297 115.700 0.014 0.000 2.507 70 S HA -0.153 4.318 4.470 0.001 0.000 0.235 70 S C 1.337 175.795 174.600 -0.237 0.000 0.988 70 S CA 0.712 58.844 58.200 -0.114 0.000 0.944 70 S CB -0.368 62.735 63.200 -0.163 0.000 0.762 70 S HN 0.388 nan 8.310 nan 0.000 0.526 71 H N -0.049 119.028 119.070 0.013 0.000 2.549 71 H HA 0.406 4.962 4.556 0.001 0.000 0.279 71 H C -0.152 175.175 175.328 -0.001 0.000 1.018 71 H CA 0.013 56.064 56.048 0.006 0.000 1.175 71 H CB 0.189 29.952 29.762 0.002 0.000 1.485 71 H HN 0.407 nan 8.280 nan 0.000 0.543 72 M N 0.725 120.373 119.600 0.079 0.000 2.311 72 M HA 0.354 4.834 4.480 0.001 0.000 0.325 72 M C 0.850 177.167 176.300 0.028 0.000 1.061 72 M CA -0.601 54.728 55.300 0.049 0.000 0.957 72 M CB 1.956 34.577 32.600 0.035 0.000 1.646 72 M HN 0.076 nan 8.290 nan 0.000 0.434 73 G N 1.964 110.778 108.800 0.023 0.000 2.557 73 G HA2 0.445 4.406 3.960 0.001 0.000 0.292 73 G HA3 0.445 4.406 3.960 0.001 0.000 0.292 73 G C 0.725 175.634 174.900 0.014 0.000 1.237 73 G CA -0.458 44.652 45.100 0.016 0.000 0.978 73 G HN 0.794 nan 8.290 nan 0.000 0.498 74 R N -0.889 119.618 120.500 0.012 0.000 2.105 74 R HA -0.047 4.294 4.340 0.001 0.000 0.239 74 R C 2.538 178.844 176.300 0.010 0.000 1.135 74 R CA 0.932 57.039 56.100 0.012 0.000 0.967 74 R CB -0.385 29.921 30.300 0.009 0.000 0.861 74 R HN 0.417 nan 8.270 nan 0.000 0.442 75 L N 0.580 121.807 121.223 0.008 0.000 1.994 75 L HA -0.212 4.129 4.340 0.001 0.000 0.208 75 L C 1.846 178.719 176.870 0.004 0.000 1.071 75 L CA 1.287 56.130 54.840 0.005 0.000 0.745 75 L CB -0.478 41.583 42.059 0.003 0.000 0.892 75 L HN 0.147 nan 8.230 nan 0.000 0.431 76 D N -0.424 119.979 120.400 0.004 0.000 2.149 76 D HA -0.181 4.459 4.640 0.001 0.000 0.198 76 D C 2.245 178.548 176.300 0.005 0.000 0.990 76 D CA 1.130 55.130 54.000 0.000 0.000 0.839 76 D CB -0.063 40.737 40.800 -0.001 0.000 0.948 76 D HN 0.176 nan 8.370 nan 0.000 0.460 77 M N -0.120 119.488 119.600 0.013 0.000 2.374 77 M HA -0.046 4.435 4.480 0.001 0.000 0.264 77 M C 1.741 178.055 176.300 0.023 0.000 1.067 77 M CA 1.061 56.375 55.300 0.024 0.000 1.103 77 M CB -0.378 32.239 32.600 0.028 0.000 1.402 77 M HN 0.010 nan 8.290 nan 0.000 0.444 78 R N -0.821 119.687 120.500 0.014 0.000 2.265 78 R HA 0.130 4.470 4.340 0.001 0.000 0.194 78 R C 1.417 177.721 176.300 0.006 0.000 0.931 78 R CA 0.287 56.394 56.100 0.012 0.000 1.032 78 R CB 0.497 30.802 30.300 0.009 0.000 0.980 78 R HN 0.335 nan 8.270 nan 0.000 0.497 79 R N -0.774 119.727 120.500 0.003 0.000 2.476 79 R HA 0.346 4.687 4.340 0.001 0.000 0.276 79 R C 0.068 176.364 176.300 -0.006 0.000 0.941 79 R CA 0.055 56.153 56.100 -0.003 0.000 1.088 79 R CB 0.932 31.229 30.300 -0.006 0.000 1.216 79 R HN -0.001 nan 8.270 nan 0.000 0.533 80 M N 0.558 120.157 119.600 -0.002 0.000 2.501 80 M HA 0.241 4.721 4.480 0.001 0.000 0.293 80 M C -0.140 176.167 176.300 0.012 0.000 1.192 80 M CA -0.710 54.587 55.300 -0.005 0.000 0.886 80 M CB 2.604 35.193 32.600 -0.018 0.000 1.710 80 M HN -0.016 nan 8.290 nan 0.000 0.457 81 S N 0.806 116.516 115.700 0.017 0.000 2.608 81 S HA 0.090 4.560 4.470 0.001 0.000 0.261 81 S C 0.764 175.407 174.600 0.072 0.000 1.314 81 S CA -0.224 58.008 58.200 0.052 0.000 0.992 81 S CB 0.461 63.691 63.200 0.049 0.000 0.935 81 S HN 0.776 nan 8.310 nan 0.000 0.564 82 Y N 1.571 121.876 120.300 0.008 0.000 2.145 82 Y HA -0.150 4.400 4.550 0.000 0.000 0.286 82 Y C 2.297 178.204 175.900 0.012 0.000 1.145 82 Y CA 2.350 60.459 58.100 0.014 0.000 1.148 82 Y CB -0.758 37.713 38.460 0.017 0.000 0.981 82 Y HN 0.537 nan 8.280 nan 0.000 0.507 83 V N -1.330 118.671 119.914 0.145 0.000 2.626 83 V HA -0.244 3.877 4.120 0.001 0.000 0.252 83 V C 1.845 177.911 176.094 -0.047 0.000 1.067 83 V CA 1.988 64.319 62.300 0.051 0.000 1.081 83 V CB -0.909 30.975 31.823 0.103 0.000 0.686 83 V HN 0.505 nan 8.190 nan 0.000 0.468 84 Q N 0.240 120.016 119.800 -0.040 0.000 2.083 84 Q HA -0.081 4.259 4.340 0.001 0.000 0.198 84 Q C 2.561 178.507 176.000 -0.090 0.000 0.969 84 Q CA 1.715 57.487 55.803 -0.052 0.000 0.838 84 Q CB -0.175 28.544 28.738 -0.032 0.000 0.900 84 Q HN 0.637 nan 8.270 nan 0.000 0.436 85 R N 0.342 120.763 120.500 -0.132 0.000 2.081 85 R HA -0.135 4.205 4.340 0.001 0.000 0.235 85 R C 2.316 178.492 176.300 -0.207 0.000 1.131 85 R CA 1.555 57.557 56.100 -0.163 0.000 0.960 85 R CB -0.398 29.788 30.300 -0.188 0.000 0.856 85 R HN 0.332 nan 8.270 nan 0.000 0.436 86 M N 0.411 119.821 119.600 -0.317 0.000 2.117 86 M HA -0.108 4.373 4.480 0.001 0.000 0.262 86 M C 2.098 178.326 176.300 -0.120 0.000 1.065 86 M CA 2.211 57.364 55.300 -0.244 0.000 1.114 86 M CB -0.387 32.061 32.600 -0.253 0.000 1.361 86 M HN 0.229 nan 8.290 nan 0.000 0.408 87 G N 0.564 109.309 108.800 -0.093 0.000 2.446 87 G HA2 -0.288 3.672 3.960 0.001 0.000 0.217 87 G HA3 -0.288 3.672 3.960 0.001 0.000 0.217 87 G C 1.520 176.390 174.900 -0.050 0.000 1.168 87 G CA 1.277 46.345 45.100 -0.054 0.000 0.771 87 G HN 0.579 nan 8.290 nan 0.000 0.551 88 K N -0.283 120.080 120.400 -0.061 0.000 2.032 88 K HA -0.102 4.218 4.320 0.001 0.000 0.209 88 K C 2.425 178.997 176.600 -0.047 0.000 1.048 88 K CA 1.440 57.697 56.287 -0.051 0.000 0.927 88 K CB -0.320 32.150 32.500 -0.051 0.000 0.712 88 K HN 0.238 nan 8.250 nan 0.000 0.441 89 L N 1.543 122.725 121.223 -0.067 0.000 1.989 89 L HA -0.155 4.185 4.340 0.001 0.000 0.211 89 L C 2.079 178.911 176.870 -0.063 0.000 1.071 89 L CA 1.641 56.431 54.840 -0.084 0.000 0.749 89 L CB -0.461 41.521 42.059 -0.128 0.000 0.890 89 L HN 0.268 nan 8.230 nan 0.000 0.431 90 L N -1.013 120.182 121.223 -0.047 0.000 2.056 90 L HA -0.091 4.250 4.340 0.001 0.000 0.207 90 L C 2.550 179.435 176.870 0.025 0.000 1.078 90 L CA 1.125 55.957 54.840 -0.014 0.000 0.749 90 L CB -1.493 40.563 42.059 -0.005 0.000 0.901 90 L HN 0.469 nan 8.230 nan 0.000 0.433 91 G N 0.056 108.870 108.800 0.023 0.000 2.446 91 G HA2 -0.229 3.731 3.960 0.001 0.000 0.217 91 G HA3 -0.229 3.731 3.960 0.001 0.000 0.217 91 G C 1.575 176.535 174.900 0.100 0.000 1.168 91 G CA 0.860 45.994 45.100 0.056 0.000 0.771 91 G HN 0.486 nan 8.290 nan 0.000 0.551 92 G N -0.066 108.769 108.800 0.059 0.000 2.402 92 G HA2 -0.129 3.831 3.960 0.001 0.000 0.216 92 G HA3 -0.129 3.831 3.960 0.001 0.000 0.216 92 G C 1.800 176.767 174.900 0.112 0.000 1.162 92 G CA 1.029 46.182 45.100 0.089 0.000 0.777 92 G HN 0.504 nan 8.290 nan 0.000 0.539 93 Q N -0.649 119.185 119.800 0.057 0.000 2.096 93 Q HA -0.075 4.265 4.340 0.001 0.000 0.204 93 Q C 2.490 178.534 176.000 0.073 0.000 0.982 93 Q CA 1.204 57.032 55.803 0.042 0.000 0.850 93 Q CB -0.265 28.473 28.738 -0.001 0.000 0.901 93 Q HN 0.418 nan 8.270 nan 0.000 0.422 94 L N -0.057 121.230 121.223 0.106 0.000 2.046 94 L HA -0.159 4.181 4.340 0.001 0.000 0.208 94 L C 1.906 178.874 176.870 0.163 0.000 1.077 94 L CA 1.702 56.617 54.840 0.123 0.000 0.747 94 L CB -0.562 41.594 42.059 0.162 0.000 0.896 94 L HN 0.397 nan 8.230 nan 0.000 0.432 95 W N 0.613 121.915 121.300 0.004 0.000 2.358 95 W HA -0.250 4.410 4.660 0.000 0.000 0.303 95 W C 2.406 178.918 176.519 -0.012 0.000 1.208 95 W CA 1.861 59.205 57.345 -0.002 0.000 1.274 95 W CB 0.030 29.498 29.460 0.013 0.000 1.138 95 W HN 0.427 nan 8.180 nan 0.000 0.515 96 E N -0.115 120.153 120.200 0.113 0.000 2.110 96 E HA -0.185 4.166 4.350 0.001 0.000 0.193 96 E C 2.058 178.629 176.600 -0.048 0.000 0.988 96 E CA 1.682 58.093 56.400 0.018 0.000 0.804 96 E CB -0.263 29.467 29.700 0.050 0.000 0.745 96 E HN -0.010 nan 8.360 nan 0.000 0.458 97 S N 0.080 115.758 115.700 -0.038 0.000 2.423 97 S HA -0.047 4.423 4.470 0.001 0.000 0.231 97 S C 1.754 176.284 174.600 -0.117 0.000 1.014 97 S CA 0.783 58.947 58.200 -0.060 0.000 0.965 97 S CB 0.055 63.234 63.200 -0.035 0.000 0.785 97 S HN 0.443 nan 8.310 nan 0.000 0.495 98 A N 0.361 123.064 122.820 -0.195 0.000 2.238 98 A HA 0.482 4.803 4.320 0.001 0.000 0.208 98 A C 1.520 178.912 177.584 -0.320 0.000 1.177 98 A CA 0.684 52.545 52.037 -0.293 0.000 0.804 98 A CB -0.713 18.003 19.000 -0.474 0.000 0.823 98 A HN 0.849 nan 8.150 nan 0.000 0.482 99 G N -1.171 107.477 108.800 -0.254 0.000 2.149 99 G HA2 -0.141 3.819 3.960 0.001 0.000 0.235 99 G HA3 -0.141 3.819 3.960 0.001 0.000 0.235 99 G C 0.413 175.159 174.900 -0.256 0.000 1.018 99 G CA 0.377 45.355 45.100 -0.204 0.000 0.728 99 G HN 1.245 nan 8.290 nan 0.000 0.508 100 S N -0.233 115.240 115.700 -0.378 0.000 3.477 100 S HA -0.152 4.319 4.470 0.001 0.000 0.371 100 S C -1.002 173.405 174.600 -0.322 0.000 0.965 100 S CA 1.051 59.021 58.200 -0.383 0.000 1.239 100 S CB -0.836 62.349 63.200 -0.026 0.000 0.918 100 S HN 1.024 nan 8.310 nan 0.000 0.498 101 P HA 0.237 nan 4.420 nan 0.000 0.272 101 P C -0.294 177.011 177.300 0.007 0.000 1.223 101 P CA -0.073 62.856 63.100 -0.285 0.000 0.784 101 P CB 0.599 32.057 31.700 -0.404 0.000 0.923 102 E N 1.235 121.455 120.200 0.034 0.000 2.035 102 E HA 0.278 4.628 4.350 0.001 0.000 0.271 102 E C 0.148 176.798 176.600 0.085 0.000 0.953 102 E CA -0.616 55.846 56.400 0.103 0.000 0.777 102 E CB 1.253 30.988 29.700 0.059 0.000 1.104 102 E HN 0.281 nan 8.360 nan 0.000 0.408 103 V N -0.482 119.515 119.914 0.138 0.000 3.093 103 V HA 0.412 4.532 4.120 0.001 0.000 0.320 103 V C 0.191 176.365 176.094 0.133 0.000 1.093 103 V CA -1.129 61.251 62.300 0.133 0.000 1.016 103 V CB 1.918 33.792 31.823 0.085 0.000 1.096 103 V HN 0.316 nan 8.190 nan 0.000 0.452 104 D N 2.143 122.634 120.400 0.153 0.000 2.338 104 D HA 0.337 4.977 4.640 0.001 0.000 0.255 104 D C -1.674 174.731 176.300 0.175 0.000 1.237 104 D CA -2.003 52.078 54.000 0.135 0.000 0.883 104 D CB 1.626 42.498 40.800 0.121 0.000 1.087 104 D HN 0.360 nan 8.370 nan 0.000 0.485 105 P HA -0.106 nan 4.420 nan 0.000 0.217 105 P C 0.400 177.793 177.300 0.155 0.000 1.148 105 P CA 0.879 64.101 63.100 0.204 0.000 0.828 105 P CB 0.324 32.094 31.700 0.118 0.000 0.783 106 D N -1.462 119.003 120.400 0.108 0.000 2.355 106 D HA -0.005 4.635 4.640 0.001 0.000 0.218 106 D C 1.243 177.589 176.300 0.078 0.000 1.004 106 D CA 0.559 54.601 54.000 0.070 0.000 0.880 106 D CB -0.034 40.796 40.800 0.049 0.000 0.911 106 D HN 0.120 nan 8.370 nan 0.000 0.528 107 R N 0.055 120.628 120.500 0.121 0.000 2.596 107 R HA 0.153 4.493 4.340 0.001 0.000 0.369 107 R C -0.411 175.992 176.300 0.172 0.000 1.042 107 R CA -0.443 55.722 56.100 0.109 0.000 1.120 107 R CB 0.230 30.589 30.300 0.098 0.000 1.353 107 R HN 0.005 nan 8.270 nan 0.000 0.564 108 F N 1.483 121.433 119.950 -0.000 0.000 2.403 108 F HA 0.675 5.202 4.527 0.000 0.000 0.355 108 F C -0.866 174.925 175.800 -0.015 0.000 1.119 108 F CA -2.270 55.730 58.000 0.000 0.000 1.007 108 F CB 1.102 40.119 39.000 0.028 0.000 1.194 108 F HN 0.004 nan 8.300 nan 0.000 0.443 109 A N 5.037 127.866 122.820 0.016 0.000 2.311 109 A HA 0.858 5.179 4.320 0.001 0.000 0.334 109 A C -1.531 175.895 177.584 -0.263 0.000 1.139 109 A CA -0.667 51.267 52.037 -0.172 0.000 0.830 109 A CB 1.555 20.531 19.000 -0.041 0.000 1.234 109 A HN 0.550 nan 8.150 nan 0.000 0.483 110 V N 1.333 121.090 119.914 -0.261 0.000 2.588 110 V HA 0.543 4.663 4.120 0.001 0.000 0.304 110 V C -0.888 175.158 176.094 -0.081 0.000 1.042 110 V CA -0.385 61.812 62.300 -0.173 0.000 0.877 110 V CB 1.737 33.411 31.823 -0.248 0.000 0.996 110 V HN 0.676 nan 8.190 nan 0.000 0.425 111 V N 5.366 125.271 119.914 -0.016 0.000 2.488 111 V HA 0.549 4.669 4.120 0.001 0.000 0.293 111 V C -0.691 175.418 176.094 0.025 0.000 1.027 111 V CA -0.518 61.788 62.300 0.009 0.000 0.862 111 V CB 1.862 33.718 31.823 0.056 0.000 1.008 111 V HN 0.570 nan 8.190 nan 0.000 0.428 112 V N 3.647 123.566 119.914 0.009 0.000 2.525 112 V HA 0.758 4.878 4.120 0.001 0.000 0.299 112 V C 0.689 176.793 176.094 0.017 0.000 1.034 112 V CA -0.309 62.001 62.300 0.017 0.000 0.863 112 V CB 1.945 33.770 31.823 0.003 0.000 0.999 112 V HN 0.898 nan 8.190 nan 0.000 0.423 113 G N 2.042 110.861 108.800 0.031 0.000 2.476 113 G HA2 0.618 4.579 3.960 0.001 0.000 0.286 113 G HA3 0.618 4.579 3.960 0.001 0.000 0.286 113 G C -0.378 174.539 174.900 0.027 0.000 1.177 113 G CA -0.155 44.963 45.100 0.030 0.000 0.870 113 G HN 0.694 nan 8.290 nan 0.000 0.528 114 T N -1.532 113.037 114.554 0.025 0.000 2.841 114 T HA 0.635 4.985 4.350 0.001 0.000 0.296 114 T C 0.999 175.720 174.700 0.035 0.000 1.166 114 T CA 0.462 62.581 62.100 0.032 0.000 1.007 114 T CB 1.473 70.359 68.868 0.032 0.000 1.253 114 T HN 0.694 nan 8.240 nan 0.000 0.511 115 G N 0.472 109.296 108.800 0.041 0.000 2.728 115 G HA2 0.273 4.234 3.960 0.001 0.000 0.223 115 G HA3 0.273 4.234 3.960 0.001 0.000 0.223 115 G C 0.903 175.843 174.900 0.065 0.000 1.379 115 G CA 0.114 45.248 45.100 0.057 0.000 0.870 115 G HN 0.560 nan 8.290 nan 0.000 0.591 116 L N 0.072 121.329 121.223 0.057 0.000 2.453 116 L HA 0.300 4.640 4.340 0.001 0.000 0.190 116 L C 2.867 179.755 176.870 0.030 0.000 1.093 116 L CA 0.789 55.662 54.840 0.054 0.000 0.834 116 L CB -0.296 41.799 42.059 0.061 0.000 1.090 116 L HN 0.308 nan 8.230 nan 0.000 0.489 117 G N -0.187 108.625 108.800 0.019 0.000 2.708 117 G HA2 -0.108 3.853 3.960 0.001 0.000 0.210 117 G HA3 -0.108 3.853 3.960 0.001 0.000 0.210 117 G C 1.294 176.217 174.900 0.039 0.000 1.141 117 G CA 0.502 45.610 45.100 0.015 0.000 0.788 117 G HN 0.445 nan 8.290 nan 0.000 0.531 118 G N -0.025 108.798 108.800 0.038 0.000 3.186 118 G HA2 0.339 4.299 3.960 0.001 0.000 0.214 118 G HA3 0.339 4.299 3.960 0.001 0.000 0.214 118 G C 0.684 175.597 174.900 0.022 0.000 1.222 118 G CA 0.565 45.685 45.100 0.033 0.000 0.921 118 G HN 0.606 nan 8.290 nan 0.000 0.504 119 A N -0.315 122.517 122.820 0.020 0.000 3.105 119 A HA 0.527 4.847 4.320 0.001 0.000 0.297 119 A C 0.889 178.482 177.584 0.015 0.000 0.977 119 A CA -0.236 51.810 52.037 0.015 0.000 1.020 119 A CB 0.236 19.245 19.000 0.016 0.000 1.098 119 A HN 0.300 nan 8.150 nan 0.000 0.497 120 E N -0.177 120.034 120.200 0.018 0.000 2.206 120 E HA 0.065 4.416 4.350 0.001 0.000 0.195 120 E C 1.230 177.842 176.600 0.019 0.000 0.935 120 E CA 0.050 56.463 56.400 0.021 0.000 0.875 120 E CB 0.197 29.920 29.700 0.039 0.000 0.841 120 E HN 0.430 nan 8.360 nan 0.000 0.477 121 R N 0.589 121.094 120.500 0.009 0.000 2.317 121 R HA 0.177 4.517 4.340 0.001 0.000 0.208 121 R C 2.004 178.281 176.300 -0.038 0.000 0.914 121 R CA 0.004 56.101 56.100 -0.005 0.000 1.060 121 R CB 0.121 30.417 30.300 -0.008 0.000 1.015 121 R HN 0.316 nan 8.270 nan 0.000 0.498 122 I N -0.217 120.328 120.570 -0.042 0.000 2.202 122 I HA -0.224 3.946 4.170 0.001 0.000 0.242 122 I C 2.216 178.263 176.117 -0.117 0.000 1.091 122 I CA 0.969 62.195 61.300 -0.124 0.000 1.368 122 I CB -0.301 37.662 38.000 -0.061 0.000 1.058 122 I HN -0.159 nan 8.210 nan 0.000 0.410 123 V N 1.102 121.067 119.914 0.086 0.000 2.332 123 V HA -0.330 3.790 4.120 0.001 0.000 0.248 123 V C 2.576 178.753 176.094 0.139 0.000 1.055 123 V CA 2.341 64.774 62.300 0.222 0.000 1.038 123 V CB -0.709 31.200 31.823 0.144 0.000 0.651 123 V HN 0.553 nan 8.190 nan 0.000 0.450 124 E N 0.133 120.364 120.200 0.051 0.000 2.110 124 E HA -0.206 4.144 4.350 0.001 0.000 0.193 124 E C 2.234 178.840 176.600 0.009 0.000 0.988 124 E CA 1.687 58.107 56.400 0.034 0.000 0.804 124 E CB -0.081 29.630 29.700 0.019 0.000 0.745 124 E HN 0.653 nan 8.360 nan 0.000 0.458 125 S N 0.185 115.848 115.700 -0.062 0.000 2.348 125 S HA -0.170 4.300 4.470 0.001 0.000 0.221 125 S C 1.717 176.269 174.600 -0.080 0.000 1.033 125 S CA 1.390 59.520 58.200 -0.116 0.000 1.010 125 S CB -0.661 62.404 63.200 -0.226 0.000 0.891 125 S HN 0.350 nan 8.310 nan 0.000 0.442 126 Y N 2.475 122.777 120.300 0.003 0.000 2.040 126 Y HA -0.225 4.325 4.550 0.000 0.000 0.275 126 Y C 2.489 178.392 175.900 0.004 0.000 1.171 126 Y CA 1.199 59.301 58.100 0.003 0.000 1.123 126 Y CB -1.138 37.324 38.460 0.002 0.000 0.963 126 Y HN 0.186 nan 8.280 nan 0.000 0.493 127 D N -0.324 120.185 120.400 0.182 0.000 2.106 127 D HA -0.171 4.469 4.640 0.001 0.000 0.191 127 D C 2.220 178.560 176.300 0.067 0.000 0.997 127 D CA 1.238 55.299 54.000 0.102 0.000 0.834 127 D CB -0.554 40.294 40.800 0.079 0.000 0.956 127 D HN 0.128 nan 8.370 nan 0.000 0.448 128 L N 0.265 121.517 121.223 0.049 0.000 2.081 128 L HA -0.143 4.198 4.340 0.001 0.000 0.212 128 L C 2.409 179.298 176.870 0.033 0.000 1.080 128 L CA 1.333 56.191 54.840 0.030 0.000 0.754 128 L CB -0.810 41.256 42.059 0.012 0.000 0.893 128 L HN 0.141 nan 8.230 nan 0.000 0.433 129 M N -1.327 118.302 119.600 0.047 0.000 2.160 129 M HA -0.139 4.341 4.480 0.001 0.000 0.264 129 M C 1.992 178.323 176.300 0.052 0.000 1.073 129 M CA 1.160 56.489 55.300 0.049 0.000 1.142 129 M CB -0.106 32.535 32.600 0.069 0.000 1.358 129 M HN 0.253 nan 8.290 nan 0.000 0.422 130 N N 1.004 119.743 118.700 0.066 0.000 2.094 130 N HA -0.154 4.586 4.740 0.001 0.000 0.191 130 N C 1.607 177.136 175.510 0.033 0.000 1.023 130 N CA 1.842 54.920 53.050 0.047 0.000 0.857 130 N CB -0.431 38.084 38.487 0.047 0.000 1.013 130 N HN 0.462 nan 8.380 nan 0.000 0.426 131 A N 0.101 122.940 122.820 0.032 0.000 1.832 131 A HA 0.138 4.459 4.320 0.001 0.000 0.214 131 A C 2.120 179.716 177.584 0.019 0.000 1.204 131 A CA 1.751 53.802 52.037 0.023 0.000 0.606 131 A CB -0.840 18.174 19.000 0.023 0.000 0.849 131 A HN 0.365 nan 8.150 nan 0.000 0.445 132 G N -2.238 106.574 108.800 0.019 0.000 3.192 132 G HA2 0.500 4.460 3.960 0.001 0.000 0.239 132 G HA3 0.500 4.460 3.960 0.001 0.000 0.239 132 G C 0.746 175.655 174.900 0.015 0.000 1.084 132 G CA 0.630 45.739 45.100 0.015 0.000 0.784 132 G HN 1.720 nan 8.290 nan 0.000 0.540 133 G N 0.306 109.117 108.800 0.019 0.000 2.655 133 G HA2 -0.076 3.884 3.960 0.001 0.000 0.680 133 G HA3 -0.076 3.884 3.960 0.001 0.000 0.680 133 G C -1.381 173.529 174.900 0.016 0.000 1.302 133 G CA -0.192 44.919 45.100 0.019 0.000 0.872 133 G HN 0.001 nan 8.290 nan 0.000 0.540 134 P HA -0.127 nan 4.420 nan 0.000 0.218 134 P C 1.475 178.777 177.300 0.003 0.000 1.146 134 P CA 1.333 64.438 63.100 0.009 0.000 0.813 134 P CB -0.028 31.677 31.700 0.009 0.000 0.778 135 R N -0.451 120.051 120.500 0.003 0.000 2.307 135 R HA 0.025 4.365 4.340 0.001 0.000 0.199 135 R C 1.438 177.738 176.300 0.000 0.000 1.000 135 R CA 0.605 56.706 56.100 0.001 0.000 1.023 135 R CB -0.129 30.172 30.300 0.001 0.000 0.908 135 R HN 0.101 nan 8.270 nan 0.000 0.473 136 K N -0.021 120.381 120.400 0.003 0.000 2.393 136 K HA 0.108 4.428 4.320 0.001 0.000 0.193 136 K C 0.200 176.799 176.600 -0.002 0.000 1.026 136 K CA 0.170 56.459 56.287 0.003 0.000 1.064 136 K CB 0.535 33.040 32.500 0.008 0.000 0.833 136 K HN -0.135 nan 8.250 nan 0.000 0.521 137 V N 1.927 121.836 119.914 -0.007 0.000 2.521 137 V HA 0.041 4.161 4.120 0.001 0.000 0.286 137 V C 0.550 176.633 176.094 -0.019 0.000 1.034 137 V CA -0.460 61.828 62.300 -0.019 0.000 1.045 137 V CB 1.065 32.870 31.823 -0.030 0.000 0.974 137 V HN 0.201 nan 8.190 nan 0.000 0.480 138 S N 6.636 122.323 115.700 -0.020 0.000 2.562 138 S HA 0.198 4.669 4.470 0.001 0.000 0.281 138 S C -1.233 173.355 174.600 -0.020 0.000 1.333 138 S CA -0.884 57.306 58.200 -0.017 0.000 1.052 138 S CB 0.947 64.138 63.200 -0.016 0.000 0.884 138 S HN 0.655 nan 8.310 nan 0.000 0.506 139 P HA 0.038 nan 4.420 nan 0.000 0.234 139 P C 0.661 177.949 177.300 -0.020 0.000 1.167 139 P CA 0.342 63.431 63.100 -0.018 0.000 0.763 139 P CB 0.094 31.785 31.700 -0.014 0.000 0.835 140 L N -1.239 119.973 121.223 -0.019 0.000 2.558 140 L HA 0.172 4.512 4.340 0.001 0.000 0.225 140 L C 2.198 179.052 176.870 -0.026 0.000 1.128 140 L CA 0.373 55.200 54.840 -0.020 0.000 0.868 140 L CB -1.734 40.315 42.059 -0.016 0.000 1.006 140 L HN -0.085 nan 8.230 nan 0.000 0.454 141 A N -0.586 122.215 122.820 -0.032 0.000 1.908 141 A HA -0.169 4.151 4.320 0.001 0.000 0.218 141 A C 2.384 179.942 177.584 -0.044 0.000 1.181 141 A CA 1.992 54.004 52.037 -0.043 0.000 0.627 141 A CB -0.734 18.232 19.000 -0.057 0.000 0.818 141 A HN 0.178 nan 8.150 nan 0.000 0.445 142 V N 1.296 121.187 119.914 -0.040 0.000 2.343 142 V HA -0.320 3.800 4.120 0.001 0.000 0.247 142 V C 2.742 178.816 176.094 -0.033 0.000 1.051 142 V CA 2.251 64.529 62.300 -0.038 0.000 1.036 142 V CB -0.968 30.836 31.823 -0.033 0.000 0.654 142 V HN 0.929 nan 8.190 nan 0.000 0.451 143 Q N -0.864 118.918 119.800 -0.030 0.000 2.488 143 Q HA -0.052 4.288 4.340 0.001 0.000 0.211 143 Q C 1.795 177.781 176.000 -0.025 0.000 0.967 143 Q CA 1.295 57.081 55.803 -0.028 0.000 0.926 143 Q CB -0.118 28.604 28.738 -0.027 0.000 0.992 143 Q HN 0.564 nan 8.270 nan 0.000 0.506 144 M N 0.428 120.014 119.600 -0.025 0.000 2.421 144 M HA 0.201 4.681 4.480 0.001 0.000 0.258 144 M C 1.855 178.144 176.300 -0.018 0.000 1.122 144 M CA 0.295 55.584 55.300 -0.018 0.000 1.078 144 M CB 0.505 33.096 32.600 -0.015 0.000 1.380 144 M HN 0.339 nan 8.290 nan 0.000 0.499 145 I N -2.517 118.036 120.570 -0.028 0.000 3.854 145 I HA 0.210 4.380 4.170 0.001 0.000 0.312 145 I C 0.561 176.664 176.117 -0.023 0.000 1.273 145 I CA -0.044 61.237 61.300 -0.032 0.000 1.298 145 I CB 0.206 38.172 38.000 -0.056 0.000 1.071 145 I HN 0.011 nan 8.210 nan 0.000 0.428 146 M N 2.428 122.014 119.600 -0.023 0.000 2.235 146 M HA 0.297 4.777 4.480 0.001 0.000 0.351 146 M C -1.638 174.653 176.300 -0.014 0.000 1.178 146 M CA -1.396 53.892 55.300 -0.020 0.000 1.143 146 M CB 0.368 32.954 32.600 -0.024 0.000 1.530 146 M HN -0.187 nan 8.290 nan 0.000 0.461 147 P HA -0.077 nan 4.420 nan 0.000 0.230 147 P C 0.448 177.742 177.300 -0.011 0.000 1.158 147 P CA 1.026 64.123 63.100 -0.006 0.000 0.769 147 P CB -0.214 31.484 31.700 -0.003 0.000 0.807 148 N N -0.668 118.021 118.700 -0.019 0.000 2.383 148 N HA 0.019 4.760 4.740 0.001 0.000 0.192 148 N C 1.621 177.113 175.510 -0.029 0.000 1.141 148 N CA 0.538 53.572 53.050 -0.027 0.000 0.851 148 N CB -1.188 37.278 38.487 -0.035 0.000 0.976 148 N HN 0.040 nan 8.380 nan 0.000 0.465 149 G N 0.841 109.628 108.800 -0.023 0.000 2.418 149 G HA2 -0.184 3.776 3.960 0.001 0.000 0.217 149 G HA3 -0.184 3.776 3.960 0.001 0.000 0.217 149 G C 1.613 176.495 174.900 -0.029 0.000 1.158 149 G CA 1.168 46.252 45.100 -0.025 0.000 0.771 149 G HN 0.521 nan 8.290 nan 0.000 0.545 150 A N 1.245 124.051 122.820 -0.022 0.000 1.877 150 A HA 0.279 4.599 4.320 0.001 0.000 0.216 150 A C 2.853 180.414 177.584 -0.038 0.000 1.186 150 A CA 2.323 54.344 52.037 -0.027 0.000 0.620 150 A CB -0.925 18.067 19.000 -0.013 0.000 0.822 150 A HN 0.814 nan 8.150 nan 0.000 0.443 151 A N -0.070 122.727 122.820 -0.038 0.000 1.908 151 A HA 0.107 4.427 4.320 0.001 0.000 0.218 151 A C 2.528 180.067 177.584 -0.075 0.000 1.181 151 A CA 2.332 54.336 52.037 -0.054 0.000 0.627 151 A CB -1.131 17.838 19.000 -0.052 0.000 0.818 151 A HN 1.121 nan 8.150 nan 0.000 0.445 152 A N -0.539 122.242 122.820 -0.066 0.000 1.883 152 A HA -0.081 4.239 4.320 0.001 0.000 0.217 152 A C 2.255 179.793 177.584 -0.077 0.000 1.186 152 A CA 2.006 54.000 52.037 -0.072 0.000 0.624 152 A CB -1.144 17.821 19.000 -0.057 0.000 0.822 152 A HN 0.449 nan 8.150 nan 0.000 0.444 153 V N 0.138 120.013 119.914 -0.065 0.000 2.287 153 V HA -0.311 3.809 4.120 0.001 0.000 0.248 153 V C 2.445 178.491 176.094 -0.081 0.000 1.053 153 V CA 2.294 64.555 62.300 -0.065 0.000 1.027 153 V CB -0.683 31.108 31.823 -0.053 0.000 0.646 153 V HN 0.590 nan 8.190 nan 0.000 0.447 154 I N 0.387 120.907 120.570 -0.084 0.000 2.252 154 I HA -0.123 4.047 4.170 0.001 0.000 0.245 154 I C 2.591 178.615 176.117 -0.154 0.000 1.102 154 I CA 1.580 62.821 61.300 -0.099 0.000 1.385 154 I CB -0.927 37.029 38.000 -0.073 0.000 1.064 154 I HN 0.394 nan 8.210 nan 0.000 0.414 155 G N 1.042 109.737 108.800 -0.175 0.000 2.418 155 G HA2 -0.249 3.711 3.960 0.001 0.000 0.217 155 G HA3 -0.249 3.711 3.960 0.001 0.000 0.217 155 G C 1.647 176.427 174.900 -0.200 0.000 1.158 155 G CA 0.591 45.543 45.100 -0.246 0.000 0.771 155 G HN 0.240 nan 8.290 nan 0.000 0.545 156 L N 0.321 121.461 121.223 -0.139 0.000 2.056 156 L HA 0.029 4.369 4.340 0.001 0.000 0.207 156 L C 2.813 179.619 176.870 -0.107 0.000 1.078 156 L CA 2.386 57.162 54.840 -0.108 0.000 0.749 156 L CB -0.692 41.318 42.059 -0.081 0.000 0.901 156 L HN 0.403 nan 8.230 nan 0.000 0.433 157 Q N -0.722 119.010 119.800 -0.113 0.000 2.061 157 Q HA -0.206 4.134 4.340 0.001 0.000 0.204 157 Q C 1.966 177.864 176.000 -0.169 0.000 0.984 157 Q CA 2.215 57.949 55.803 -0.116 0.000 0.846 157 Q CB -0.122 28.553 28.738 -0.105 0.000 0.902 157 Q HN 0.611 nan 8.270 nan 0.000 0.421 158 L N -1.464 119.627 121.223 -0.221 0.000 2.513 158 L HA 0.277 4.617 4.340 0.001 0.000 0.222 158 L C 0.919 177.707 176.870 -0.137 0.000 1.096 158 L CA 0.347 54.986 54.840 -0.335 0.000 0.857 158 L CB 0.502 42.315 42.059 -0.410 0.000 1.026 158 L HN 0.480 nan 8.230 nan 0.000 0.469 159 G N 1.351 110.081 108.800 -0.117 0.000 2.370 159 G HA2 -0.142 3.818 3.960 0.001 0.000 0.268 159 G HA3 -0.142 3.818 3.960 0.001 0.000 0.268 159 G C 0.052 174.930 174.900 -0.036 0.000 1.122 159 G CA -0.024 45.050 45.100 -0.044 0.000 0.963 159 G HN 0.411 nan 8.290 nan 0.000 0.500 160 A N 0.234 122.843 122.820 -0.352 0.000 2.252 160 A HA 0.785 5.106 4.320 0.001 0.000 0.309 160 A C 1.054 178.465 177.584 -0.288 0.000 1.285 160 A CA -0.375 51.274 52.037 -0.648 0.000 0.900 160 A CB 0.439 18.712 19.000 -1.212 0.000 1.157 160 A HN 0.531 nan 8.150 nan 0.000 0.536 161 R N 2.306 122.725 120.500 -0.134 0.000 2.508 161 R HA 0.224 4.564 4.340 0.001 0.000 0.300 161 R C 0.690 176.957 176.300 -0.054 0.000 0.970 161 R CA 0.596 56.652 56.100 -0.074 0.000 1.102 161 R CB 0.923 31.208 30.300 -0.024 0.000 1.246 161 R HN 0.662 nan 8.270 nan 0.000 0.539 162 A N 1.215 123.998 122.820 -0.062 0.000 2.708 162 A HA 0.512 4.832 4.320 0.001 0.000 0.293 162 A C 0.340 177.885 177.584 -0.065 0.000 1.303 162 A CA 0.044 52.058 52.037 -0.039 0.000 0.949 162 A CB 0.226 19.227 19.000 0.001 0.000 1.121 162 A HN 0.297 nan 8.150 nan 0.000 0.542 163 G N -1.273 107.471 108.800 -0.092 0.000 2.885 163 G HA2 0.199 4.159 3.960 0.001 0.000 0.685 163 G HA3 0.199 4.159 3.960 0.001 0.000 0.685 163 G C -1.044 173.780 174.900 -0.127 0.000 1.216 163 G CA -0.405 44.639 45.100 -0.092 0.000 0.790 163 G HN 0.887 nan 8.290 nan 0.000 0.631 164 V N 3.999 123.844 119.914 -0.114 0.000 2.380 164 V HA 0.718 4.838 4.120 0.001 0.000 0.286 164 V C 0.450 176.490 176.094 -0.090 0.000 1.015 164 V CA -0.331 61.896 62.300 -0.121 0.000 0.834 164 V CB 1.350 33.094 31.823 -0.130 0.000 1.009 164 V HN 0.781 nan 8.190 nan 0.000 0.428 165 M N 2.982 122.535 119.600 -0.079 0.000 2.602 165 M HA 0.630 5.110 4.480 0.001 0.000 0.312 165 M C -0.612 175.654 176.300 -0.056 0.000 1.181 165 M CA -0.419 54.836 55.300 -0.075 0.000 0.910 165 M CB 2.834 35.379 32.600 -0.091 0.000 1.723 165 M HN 0.431 nan 8.290 nan 0.000 0.459 166 T N 2.550 117.068 114.554 -0.060 0.000 3.008 166 T HA 0.461 4.811 4.350 0.001 0.000 0.328 166 T C -2.596 172.079 174.700 -0.043 0.000 1.020 166 T CA -0.982 61.096 62.100 -0.037 0.000 1.043 166 T CB 0.819 69.668 68.868 -0.032 0.000 1.010 166 T HN 0.399 nan 8.240 nan 0.000 0.466 167 P HA 0.535 nan 4.420 nan 0.000 0.288 167 P C -0.764 176.532 177.300 -0.006 0.000 1.267 167 P CA -0.646 62.449 63.100 -0.009 0.000 0.815 167 P CB 1.309 33.060 31.700 0.085 0.000 0.989 168 V N 0.005 119.900 119.914 -0.030 0.000 2.444 168 V HA 0.730 4.850 4.120 0.001 0.000 0.294 168 V C 0.000 176.022 176.094 -0.121 0.000 1.022 168 V CA -0.418 61.858 62.300 -0.041 0.000 0.850 168 V CB 1.276 33.085 31.823 -0.024 0.000 0.992 168 V HN 0.665 nan 8.190 nan 0.000 0.426 169 S N 3.112 118.730 115.700 -0.137 0.000 2.686 169 S HA 0.745 5.215 4.470 0.001 0.000 0.223 169 S C 0.602 175.158 174.600 -0.074 0.000 0.885 169 S CA 0.484 58.480 58.200 -0.338 0.000 1.115 169 S CB 0.311 63.309 63.200 -0.337 0.000 1.459 169 S HN 2.645 nan 8.310 nan 0.000 0.444 170 A N 0.985 123.826 122.820 0.035 0.000 5.318 170 A HA -0.366 3.955 4.320 0.001 0.000 0.329 170 A C 1.865 179.529 177.584 0.133 0.000 1.789 170 A CA 1.582 53.717 52.037 0.163 0.000 0.711 170 A CB -2.288 16.912 19.000 0.334 0.000 1.398 170 A HN 1.461 nan 8.150 nan 0.000 0.392 171 C N 0.428 119.827 119.300 0.165 0.000 2.419 171 C HA 0.138 4.598 4.460 0.001 0.000 0.283 171 C C 2.819 177.863 174.990 0.090 0.000 1.373 171 C CA 1.529 60.643 59.018 0.160 0.000 1.781 171 C CB -1.811 26.043 27.740 0.189 0.000 1.886 171 C HN 1.271 nan 8.230 nan 0.000 0.520 172 S N 0.272 115.995 115.700 0.038 0.000 2.605 172 S HA 0.049 4.519 4.470 0.001 0.000 0.217 172 S C 1.331 175.944 174.600 0.021 0.000 0.958 172 S CA 0.489 58.692 58.200 0.006 0.000 0.919 172 S CB -0.355 62.849 63.200 0.007 0.000 0.780 172 S HN 0.534 nan 8.310 nan 0.000 0.507 173 S N 2.124 117.842 115.700 0.030 0.000 2.370 173 S HA -0.030 4.441 4.470 0.001 0.000 0.226 173 S C 2.087 176.712 174.600 0.042 0.000 1.033 173 S CA 1.487 59.705 58.200 0.030 0.000 1.011 173 S CB -0.975 62.243 63.200 0.030 0.000 0.852 173 S HN 0.764 nan 8.310 nan 0.000 0.457 174 G N 0.855 109.680 108.800 0.042 0.000 2.402 174 G HA2 -0.124 3.837 3.960 0.001 0.000 0.216 174 G HA3 -0.124 3.837 3.960 0.001 0.000 0.216 174 G C 1.575 176.501 174.900 0.044 0.000 1.162 174 G CA 0.969 46.096 45.100 0.045 0.000 0.777 174 G HN 0.516 nan 8.290 nan 0.000 0.539 175 S N 0.005 115.722 115.700 0.028 0.000 2.368 175 S HA -0.067 4.403 4.470 0.001 0.000 0.224 175 S C 2.090 176.689 174.600 -0.002 0.000 1.029 175 S CA 1.200 59.408 58.200 0.014 0.000 0.988 175 S CB -0.198 62.993 63.200 -0.015 0.000 0.838 175 S HN 0.572 nan 8.310 nan 0.000 0.462 176 E N 1.034 121.236 120.200 0.004 0.000 2.118 176 E HA -0.176 4.174 4.350 0.001 0.000 0.195 176 E C 2.169 178.804 176.600 0.058 0.000 0.992 176 E CA 0.976 57.372 56.400 -0.006 0.000 0.804 176 E CB -0.201 29.530 29.700 0.051 0.000 0.741 176 E HN 0.476 nan 8.360 nan 0.000 0.458 177 A N 1.070 123.952 122.820 0.104 0.000 1.883 177 A HA -0.207 4.113 4.320 0.001 0.000 0.217 177 A C 2.130 179.778 177.584 0.107 0.000 1.186 177 A CA 1.518 53.633 52.037 0.129 0.000 0.624 177 A CB -0.681 18.370 19.000 0.086 0.000 0.822 177 A HN 0.299 nan 8.150 nan 0.000 0.444 178 I N -0.223 120.391 120.570 0.073 0.000 2.226 178 I HA -0.289 3.881 4.170 0.001 0.000 0.245 178 I C 2.967 179.113 176.117 0.049 0.000 1.100 178 I CA 0.975 62.320 61.300 0.075 0.000 1.374 178 I CB -0.423 37.626 38.000 0.082 0.000 1.057 178 I HN 0.365 nan 8.210 nan 0.000 0.413 179 A N 0.446 123.244 122.820 -0.036 0.000 1.892 179 A HA -0.264 4.057 4.320 0.001 0.000 0.218 179 A C 2.234 179.805 177.584 -0.022 0.000 1.188 179 A CA 1.817 53.792 52.037 -0.103 0.000 0.631 179 A CB -0.945 17.901 19.000 -0.256 0.000 0.822 179 A HN 0.434 nan 8.150 nan 0.000 0.447 180 H N -0.747 118.372 119.070 0.082 0.000 2.428 180 H HA 0.084 4.641 4.556 0.001 0.000 0.296 180 H C 2.547 177.909 175.328 0.057 0.000 1.062 180 H CA 1.183 57.269 56.048 0.064 0.000 1.350 180 H CB -0.471 29.309 29.762 0.030 0.000 1.403 180 H HN 0.538 nan 8.280 nan 0.000 0.533 181 A N 0.803 123.730 122.820 0.178 0.000 1.902 181 A HA -0.198 4.122 4.320 0.001 0.000 0.217 181 A C 2.377 180.029 177.584 0.113 0.000 1.181 181 A CA 1.443 53.553 52.037 0.123 0.000 0.623 181 A CB -1.115 17.958 19.000 0.121 0.000 0.818 181 A HN 0.568 nan 8.150 nan 0.000 0.443 182 W N 0.764 122.033 121.300 -0.051 0.000 2.355 182 W HA -0.187 4.473 4.660 -0.001 0.000 0.309 182 W C 2.356 178.802 176.519 -0.122 0.000 1.206 182 W CA 2.034 59.318 57.345 -0.101 0.000 1.284 182 W CB -0.210 29.155 29.460 -0.159 0.000 1.145 182 W HN 0.243 nan 8.180 nan 0.000 0.502 183 R N -0.186 120.287 120.500 -0.044 0.000 2.083 183 R HA -0.267 4.073 4.340 0.001 0.000 0.237 183 R C 2.192 178.357 176.300 -0.225 0.000 1.137 183 R CA 2.013 57.968 56.100 -0.243 0.000 0.951 183 R CB -0.873 29.439 30.300 0.019 0.000 0.851 183 R HN 0.217 nan 8.270 nan 0.000 0.434 184 Q N 0.887 120.633 119.800 -0.091 0.000 2.135 184 Q HA -0.124 4.217 4.340 0.001 0.000 0.204 184 Q C 1.793 177.721 176.000 -0.120 0.000 0.981 184 Q CA 1.598 57.358 55.803 -0.071 0.000 0.856 184 Q CB -0.054 28.674 28.738 -0.018 0.000 0.902 184 Q HN 0.392 nan 8.270 nan 0.000 0.425 185 I N -0.675 119.788 120.570 -0.179 0.000 2.277 185 I HA -0.164 4.007 4.170 0.001 0.000 0.243 185 I C 2.089 178.046 176.117 -0.267 0.000 1.094 185 I CA 0.995 62.182 61.300 -0.188 0.000 1.393 185 I CB -0.359 37.544 38.000 -0.162 0.000 1.078 185 I HN 0.204 nan 8.210 nan 0.000 0.417 186 V N -1.676 117.930 119.914 -0.514 0.000 2.809 186 V HA -0.135 3.985 4.120 0.001 0.000 0.256 186 V C 2.041 177.991 176.094 -0.240 0.000 1.080 186 V CA 1.328 63.324 62.300 -0.506 0.000 1.102 186 V CB -0.602 30.541 31.823 -1.134 0.000 0.705 186 V HN 0.359 nan 8.190 nan 0.000 0.475 187 M N 0.678 120.145 119.600 -0.222 0.000 2.595 187 M HA 0.311 4.791 4.480 0.001 0.000 0.248 187 M C 1.637 177.904 176.300 -0.056 0.000 1.119 187 M CA 1.067 56.311 55.300 -0.093 0.000 1.079 187 M CB 0.161 32.714 32.600 -0.079 0.000 1.472 187 M HN 0.701 nan 8.290 nan 0.000 0.501 188 G N 0.629 109.387 108.800 -0.069 0.000 2.159 188 G HA2 -0.233 3.727 3.960 0.001 0.000 0.227 188 G HA3 -0.233 3.727 3.960 0.001 0.000 0.227 188 G C 0.170 175.053 174.900 -0.027 0.000 0.986 188 G CA 0.380 45.458 45.100 -0.036 0.000 0.651 188 G HN 0.463 nan 8.290 nan 0.000 0.523 189 D N 0.352 120.730 120.400 -0.037 0.000 2.289 189 D HA 0.512 5.153 4.640 0.001 0.000 0.207 189 D C 1.296 177.589 176.300 -0.012 0.000 0.966 189 D CA 1.657 55.644 54.000 -0.023 0.000 0.868 189 D CB 0.335 41.118 40.800 -0.028 0.000 0.943 189 D HN 0.997 nan 8.370 nan 0.000 0.514 190 A N -0.369 122.440 122.820 -0.018 0.000 2.606 190 A HA 0.454 4.774 4.320 0.001 0.000 0.293 190 A C -0.765 176.808 177.584 -0.017 0.000 1.082 190 A CA -0.697 51.342 52.037 0.002 0.000 0.685 190 A CB 1.307 20.317 19.000 0.016 0.000 1.284 190 A HN -0.152 nan 8.150 nan 0.000 0.408 191 D N -0.462 119.924 120.400 -0.022 0.000 2.423 191 D HA 0.261 4.901 4.640 0.001 0.000 0.208 191 D C -0.110 176.056 176.300 -0.224 0.000 1.068 191 D CA 0.929 54.876 54.000 -0.088 0.000 0.860 191 D CB 1.481 42.255 40.800 -0.042 0.000 0.992 191 D HN 0.419 nan 8.370 nan 0.000 0.504 192 V N -0.092 119.734 119.914 -0.146 0.000 2.932 192 V HA 0.760 4.881 4.120 0.001 0.000 0.307 192 V C -1.928 174.273 176.094 0.178 0.000 1.147 192 V CA -0.639 61.588 62.300 -0.121 0.000 0.951 192 V CB 2.020 33.631 31.823 -0.353 0.000 1.031 192 V HN 0.055 nan 8.190 nan 0.000 0.426 193 A N 4.900 127.843 122.820 0.207 0.000 2.520 193 A HA 0.824 5.145 4.320 0.001 0.000 0.298 193 A C -1.441 176.329 177.584 0.310 0.000 1.051 193 A CA -0.488 51.722 52.037 0.289 0.000 0.690 193 A CB 2.074 21.161 19.000 0.145 0.000 1.281 193 A HN 1.193 nan 8.150 nan 0.000 0.402 194 V N 1.497 121.633 119.914 0.370 0.000 2.407 194 V HA 0.538 4.659 4.120 0.001 0.000 0.278 194 V C 0.112 176.291 176.094 0.142 0.000 1.037 194 V CA -0.089 62.373 62.300 0.271 0.000 0.900 194 V CB 0.443 32.453 31.823 0.311 0.000 0.983 194 V HN 1.375 nan 8.190 nan 0.000 0.459 195 C N 2.621 121.995 119.300 0.124 0.000 3.086 195 C HA 1.082 5.542 4.460 0.001 0.000 0.311 195 C C 0.285 175.325 174.990 0.083 0.000 1.260 195 C CA -0.011 59.063 59.018 0.093 0.000 1.426 195 C CB 1.037 28.839 27.740 0.103 0.000 1.826 195 C HN 1.343 nan 8.230 nan 0.000 0.474 196 G N 0.256 109.097 108.800 0.068 0.000 2.513 196 G HA2 0.691 4.652 3.960 0.001 0.000 0.182 196 G HA3 0.691 4.652 3.960 0.001 0.000 0.182 196 G C -0.600 174.330 174.900 0.049 0.000 1.190 196 G CA 0.391 45.527 45.100 0.060 0.000 0.987 196 G HN 2.231 nan 8.290 nan 0.000 0.479 197 G N -1.233 107.594 108.800 0.044 0.000 2.718 197 G HA2 0.847 4.807 3.960 0.001 0.000 0.295 197 G HA3 0.847 4.807 3.960 0.001 0.000 0.295 197 G C -0.917 174.007 174.900 0.040 0.000 1.421 197 G CA 0.469 45.594 45.100 0.041 0.000 0.902 197 G HN 1.931 nan 8.290 nan 0.000 0.501 198 V N -1.841 118.098 119.914 0.041 0.000 3.001 198 V HA 1.010 5.130 4.120 0.001 0.000 0.314 198 V C -0.895 175.238 176.094 0.066 0.000 1.099 198 V CA -1.142 61.189 62.300 0.052 0.000 0.989 198 V CB 1.992 33.837 31.823 0.037 0.000 1.040 198 V HN 0.954 nan 8.190 nan 0.000 0.434 199 E N 0.764 121.024 120.200 0.099 0.000 2.390 199 E HA 0.681 5.032 4.350 0.001 0.000 0.280 199 E C 0.003 176.694 176.600 0.151 0.000 0.992 199 E CA 0.249 56.702 56.400 0.088 0.000 0.790 199 E CB 1.878 31.599 29.700 0.036 0.000 1.248 199 E HN 1.255 nan 8.360 nan 0.000 0.447 200 G N 1.959 110.798 108.800 0.065 0.000 2.683 200 G HA2 0.419 4.379 3.960 0.001 0.000 0.260 200 G HA3 0.419 4.379 3.960 0.001 0.000 0.260 200 G C -2.097 172.681 174.900 -0.203 0.000 1.238 200 G CA -0.757 44.298 45.100 -0.075 0.000 0.934 200 G HN 0.490 nan 8.290 nan 0.000 0.534 201 P HA 0.295 nan 4.420 nan 0.000 0.278 201 P C -0.127 177.064 177.300 -0.181 0.000 1.266 201 P CA -0.593 62.364 63.100 -0.239 0.000 0.807 201 P CB 1.120 32.639 31.700 -0.302 0.000 1.094 202 I N 0.890 121.413 120.570 -0.079 0.000 2.598 202 I HA 0.031 4.201 4.170 0.001 0.000 0.284 202 I C 1.120 177.237 176.117 -0.000 0.000 1.140 202 I CA 0.957 62.178 61.300 -0.131 0.000 1.420 202 I CB -0.186 37.763 38.000 -0.084 0.000 1.387 202 I HN 0.271 nan 8.210 nan 0.000 0.553 203 E N 3.716 123.790 120.200 -0.211 0.000 2.433 203 E HA 0.473 4.824 4.350 0.001 0.000 0.273 203 E C 0.312 176.538 176.600 -0.623 0.000 0.950 203 E CA -0.762 55.393 56.400 -0.409 0.000 0.796 203 E CB 1.722 31.257 29.700 -0.276 0.000 1.330 203 E HN 0.583 nan 8.360 nan 0.000 0.455 204 A N 0.940 123.142 122.820 -1.030 0.000 1.908 204 A HA -0.184 4.137 4.320 0.001 0.000 0.218 204 A C 1.915 179.299 177.584 -0.335 0.000 1.181 204 A CA 1.557 53.169 52.037 -0.709 0.000 0.627 204 A CB -0.432 18.250 19.000 -0.530 0.000 0.818 204 A HN 0.496 nan 8.150 nan 0.000 0.445 205 L N 0.347 121.401 121.223 -0.282 0.000 2.027 205 L HA 0.016 4.356 4.340 0.001 0.000 0.206 205 L C -0.776 176.046 176.870 -0.080 0.000 1.074 205 L CA 2.095 56.818 54.840 -0.196 0.000 0.745 205 L CB -1.264 40.694 42.059 -0.168 0.000 0.898 205 L HN 0.143 nan 8.230 nan 0.000 0.433 206 P HA -0.165 nan 4.420 nan 0.000 0.215 206 P C 2.086 179.648 177.300 0.438 0.000 1.153 206 P CA 1.753 64.985 63.100 0.220 0.000 0.853 206 P CB -0.037 31.691 31.700 0.046 0.000 0.788 207 I N -0.597 120.151 120.570 0.298 0.000 2.163 207 I HA -0.284 3.886 4.170 0.001 0.000 0.243 207 I C 2.364 178.578 176.117 0.161 0.000 1.085 207 I CA 1.679 63.182 61.300 0.339 0.000 1.347 207 I CB -0.882 37.263 38.000 0.242 0.000 1.044 207 I HN -0.082 nan 8.210 nan 0.000 0.408 208 A N 0.667 123.505 122.820 0.030 0.000 1.902 208 A HA -0.179 4.141 4.320 0.001 0.000 0.217 208 A C 2.533 180.083 177.584 -0.056 0.000 1.181 208 A CA 1.961 53.969 52.037 -0.048 0.000 0.623 208 A CB -0.891 18.014 19.000 -0.158 0.000 0.818 208 A HN 0.449 nan 8.150 nan 0.000 0.443 209 A N -1.301 121.476 122.820 -0.072 0.000 1.902 209 A HA 0.024 4.345 4.320 0.001 0.000 0.217 209 A C 1.950 179.372 177.584 -0.269 0.000 1.181 209 A CA 1.567 53.481 52.037 -0.205 0.000 0.623 209 A CB -0.683 18.134 19.000 -0.304 0.000 0.818 209 A HN 0.468 nan 8.150 nan 0.000 0.443 210 F N 0.224 120.171 119.950 -0.006 0.000 2.293 210 F HA -0.029 4.498 4.527 0.000 0.000 0.297 210 F C 2.770 178.494 175.800 -0.126 0.000 1.089 210 F CA 1.225 59.198 58.000 -0.045 0.000 1.377 210 F CB -0.392 38.650 39.000 0.071 0.000 1.051 210 F HN 0.103 nan 8.300 nan 0.000 0.511 211 S N -0.105 115.617 115.700 0.037 0.000 2.370 211 S HA -0.206 4.264 4.470 0.001 0.000 0.226 211 S C 2.067 176.642 174.600 -0.041 0.000 1.033 211 S CA 1.204 59.382 58.200 -0.038 0.000 1.011 211 S CB -0.268 62.920 63.200 -0.020 0.000 0.852 211 S HN 0.191 nan 8.310 nan 0.000 0.457 212 M N 0.733 120.303 119.600 -0.051 0.000 2.460 212 M HA 0.136 4.616 4.480 0.001 0.000 0.263 212 M C 1.564 177.831 176.300 -0.055 0.000 1.071 212 M CA 1.025 56.290 55.300 -0.058 0.000 1.096 212 M CB -1.108 31.446 32.600 -0.078 0.000 1.408 212 M HN 0.371 nan 8.290 nan 0.000 0.463 213 M N -1.406 118.160 119.600 -0.057 0.000 2.618 213 M HA 0.015 4.495 4.480 0.001 0.000 0.240 213 M C 0.552 176.851 176.300 -0.000 0.000 1.123 213 M CA 0.236 55.519 55.300 -0.029 0.000 1.060 213 M CB -0.157 32.427 32.600 -0.027 0.000 1.535 213 M HN 0.209 nan 8.290 nan 0.000 0.507 214 R N -0.147 120.342 120.500 -0.017 0.000 3.651 214 R HA -0.206 4.134 4.340 0.001 0.000 0.292 214 R C 0.568 176.855 176.300 -0.021 0.000 1.161 214 R CA 0.359 56.445 56.100 -0.022 0.000 0.787 214 R CB -1.494 28.801 30.300 -0.009 0.000 1.249 214 R HN 0.513 nan 8.270 nan 0.000 0.476 215 A N -0.233 122.572 122.820 -0.025 0.000 2.218 215 A HA 0.229 4.549 4.320 0.001 0.000 0.209 215 A C 0.847 178.238 177.584 -0.321 0.000 1.168 215 A CA 0.442 52.479 52.037 -0.001 0.000 0.804 215 A CB 0.289 19.441 19.000 0.254 0.000 0.834 215 A HN 0.289 nan 8.150 nan 0.000 0.482 216 M N -0.211 119.135 119.600 -0.423 0.000 2.456 216 M HA 0.321 4.801 4.480 0.001 0.000 0.324 216 M C 0.037 176.149 176.300 -0.313 0.000 1.124 216 M CA -0.423 54.493 55.300 -0.641 0.000 0.959 216 M CB 2.035 34.244 32.600 -0.652 0.000 1.692 216 M HN 0.113 nan 8.290 nan 0.000 0.444 217 S N 0.679 116.220 115.700 -0.265 0.000 2.564 217 S HA 0.222 4.692 4.470 0.001 0.000 0.278 217 S C 0.670 175.207 174.600 -0.104 0.000 1.333 217 S CA -0.150 57.969 58.200 -0.136 0.000 1.048 217 S CB 0.357 63.502 63.200 -0.093 0.000 0.900 217 S HN 0.806 nan 8.310 nan 0.000 0.505 218 T N 1.788 116.305 114.554 -0.062 0.000 3.296 218 T HA 0.303 4.653 4.350 0.001 0.000 0.285 218 T C 0.362 175.053 174.700 -0.016 0.000 1.014 218 T CA -0.500 61.580 62.100 -0.034 0.000 0.920 218 T CB -0.222 68.630 68.868 -0.027 0.000 1.143 218 T HN 0.599 nan 8.240 nan 0.000 0.522 219 R N 1.827 122.317 120.500 -0.017 0.000 3.710 219 R HA 0.214 4.554 4.340 0.001 0.000 0.201 219 R C 0.247 176.550 176.300 0.005 0.000 1.641 219 R CA -0.270 55.827 56.100 -0.005 0.000 1.390 219 R CB -0.323 29.974 30.300 -0.005 0.000 1.341 219 R HN 0.230 nan 8.270 nan 0.000 0.728 220 N N 1.000 119.707 118.700 0.010 0.000 2.396 220 N HA -0.108 4.632 4.740 0.001 0.000 0.180 220 N C 0.191 175.715 175.510 0.024 0.000 1.028 220 N CA 0.866 53.928 53.050 0.020 0.000 0.893 220 N CB 0.303 38.804 38.487 0.024 0.000 0.967 220 N HN 0.471 nan 8.380 nan 0.000 0.440 221 D N 0.696 121.108 120.400 0.020 0.000 2.323 221 D HA 0.016 4.656 4.640 0.001 0.000 0.209 221 D C -0.069 176.246 176.300 0.024 0.000 0.973 221 D CA 0.702 54.715 54.000 0.021 0.000 0.874 221 D CB 0.215 41.024 40.800 0.016 0.000 0.930 221 D HN 0.336 nan 8.370 nan 0.000 0.521 222 E N -0.088 120.126 120.200 0.024 0.000 3.386 222 E HA 0.136 4.487 4.350 0.001 0.000 0.236 222 E C -2.019 174.600 176.600 0.032 0.000 1.227 222 E CA -1.323 55.094 56.400 0.029 0.000 0.970 222 E CB 1.883 31.596 29.700 0.022 0.000 1.343 222 E HN -0.052 nan 8.360 nan 0.000 0.397 223 P HA -0.241 nan 4.420 nan 0.000 0.216 223 P C 0.875 178.193 177.300 0.030 0.000 1.153 223 P CA 1.376 64.501 63.100 0.041 0.000 0.858 223 P CB 0.293 32.037 31.700 0.072 0.000 0.789 224 E N -0.291 119.938 120.200 0.048 0.000 2.204 224 E HA -0.143 4.207 4.350 0.001 0.000 0.195 224 E C 1.635 178.252 176.600 0.028 0.000 0.990 224 E CA 1.055 57.479 56.400 0.040 0.000 0.821 224 E CB -0.884 28.856 29.700 0.067 0.000 0.750 224 E HN 0.296 nan 8.360 nan 0.000 0.477 225 R N 0.177 120.693 120.500 0.027 0.000 2.334 225 R HA 0.364 4.705 4.340 0.001 0.000 0.216 225 R C 1.768 178.077 176.300 0.014 0.000 0.905 225 R CA 0.506 56.620 56.100 0.023 0.000 1.064 225 R CB 0.242 30.555 30.300 0.022 0.000 1.046 225 R HN 0.224 nan 8.270 nan 0.000 0.508 226 A N 0.889 123.714 122.820 0.007 0.000 1.897 226 A HA -0.029 4.291 4.320 0.001 0.000 0.215 226 A C 1.333 178.911 177.584 -0.010 0.000 1.181 226 A CA 0.769 52.804 52.037 -0.004 0.000 0.620 226 A CB 0.036 19.030 19.000 -0.009 0.000 0.821 226 A HN 0.159 nan 8.150 nan 0.000 0.443 227 S N 0.504 116.198 115.700 -0.009 0.000 2.422 227 S HA 0.411 4.882 4.470 0.001 0.000 0.283 227 S C 0.021 174.615 174.600 -0.010 0.000 1.163 227 S CA -0.576 57.614 58.200 -0.018 0.000 1.054 227 S CB -0.256 62.931 63.200 -0.022 0.000 0.967 227 S HN 0.399 nan 8.310 nan 0.000 0.499 228 R N 4.493 124.985 120.500 -0.014 0.000 2.835 228 R HA 0.264 4.604 4.340 0.001 0.000 0.290 228 R C -2.929 173.374 176.300 0.005 0.000 1.410 228 R CA -1.758 54.356 56.100 0.024 0.000 1.590 228 R CB 0.724 31.045 30.300 0.035 0.000 1.288 228 R HN 0.387 nan 8.270 nan 0.000 0.637 229 P HA -0.032 nan 4.420 nan 0.000 0.262 229 P C -0.101 177.171 177.300 -0.048 0.000 1.182 229 P CA 0.314 63.257 63.100 -0.261 0.000 0.761 229 P CB 0.139 31.618 31.700 -0.369 0.000 0.795 230 F N -0.956 119.040 119.950 0.077 0.000 2.825 230 F HA -0.265 4.263 4.527 0.002 0.000 0.358 230 F C 0.756 176.731 175.800 0.292 0.000 0.639 230 F CA 1.177 59.268 58.000 0.151 0.000 1.153 230 F CB -2.401 36.645 39.000 0.076 0.000 1.610 230 F HN 0.280 nan 8.300 nan 0.000 0.305 231 D N 0.640 121.253 120.400 0.356 0.000 2.341 231 D HA 0.211 4.851 4.640 0.001 0.000 0.245 231 D C 1.217 177.572 176.300 0.091 0.000 1.106 231 D CA -0.048 54.064 54.000 0.186 0.000 0.905 231 D CB 0.934 41.802 40.800 0.113 0.000 1.202 231 D HN 0.163 nan 8.370 nan 0.000 0.426 232 K N 1.475 121.892 120.400 0.029 0.000 2.103 232 K HA -0.148 4.172 4.320 0.001 0.000 0.207 232 K C 0.097 176.707 176.600 0.015 0.000 1.048 232 K CA 1.255 57.555 56.287 0.022 0.000 0.930 232 K CB 0.153 32.650 32.500 -0.007 0.000 0.716 232 K HN 0.518 nan 8.250 nan 0.000 0.444 233 D N 0.950 121.353 120.400 0.006 0.000 2.358 233 D HA -0.018 4.622 4.640 0.001 0.000 0.224 233 D C -0.110 176.193 176.300 0.004 0.000 1.123 233 D CA 0.022 54.023 54.000 0.002 0.000 0.833 233 D CB 0.048 40.845 40.800 -0.005 0.000 0.946 233 D HN 0.345 nan 8.370 nan 0.000 0.505 234 R N 1.498 122.004 120.500 0.010 0.000 2.679 234 R HA 0.084 4.425 4.340 0.001 0.000 0.268 234 R C 0.018 176.313 176.300 -0.009 0.000 1.044 234 R CA 0.265 56.364 56.100 -0.002 0.000 1.105 234 R CB 0.404 30.697 30.300 -0.010 0.000 0.989 234 R HN -0.170 nan 8.270 nan 0.000 0.447 235 D N 0.740 121.127 120.400 -0.021 0.000 2.760 235 D HA 0.222 4.863 4.640 0.001 0.000 0.314 235 D C 0.246 176.516 176.300 -0.051 0.000 1.464 235 D CA 0.103 54.086 54.000 -0.028 0.000 0.797 235 D CB 0.389 41.173 40.800 -0.027 0.000 1.149 235 D HN 0.910 nan 8.370 nan 0.000 0.455 236 G N 0.429 109.202 108.800 -0.044 0.000 2.434 236 G HA2 0.165 4.126 3.960 0.001 0.000 0.671 236 G HA3 0.165 4.126 3.960 0.001 0.000 0.671 236 G C -0.581 174.285 174.900 -0.056 0.000 1.280 236 G CA -0.620 44.444 45.100 -0.061 0.000 0.975 236 G HN 0.358 nan 8.290 nan 0.000 0.510 237 F N -0.781 119.108 119.950 -0.101 0.000 2.380 237 F HA 0.877 5.404 4.527 0.001 0.000 0.319 237 F C 0.172 175.864 175.800 -0.180 0.000 1.113 237 F CA -1.456 56.454 58.000 -0.149 0.000 1.056 237 F CB 1.329 40.241 39.000 -0.146 0.000 1.289 237 F HN 0.508 nan 8.300 nan 0.000 0.515 238 V N 2.097 122.117 119.914 0.177 0.000 2.656 238 V HA 0.308 4.428 4.120 0.001 0.000 0.307 238 V C -0.766 175.457 176.094 0.215 0.000 1.051 238 V CA -0.783 61.556 62.300 0.066 0.000 0.893 238 V CB 1.526 33.367 31.823 0.029 0.000 0.999 238 V HN 0.640 nan 8.190 nan 0.000 0.426 239 F N 2.527 122.609 119.950 0.221 0.000 2.495 239 F HA 0.610 5.137 4.527 0.000 0.000 0.365 239 F C 1.021 176.842 175.800 0.034 0.000 1.090 239 F CA -0.127 57.955 58.000 0.136 0.000 1.235 239 F CB 1.107 40.158 39.000 0.085 0.000 1.119 239 F HN 0.544 nan 8.300 nan 0.000 0.562 240 G N 3.506 112.451 108.800 0.242 0.000 2.723 240 G HA2 0.432 4.392 3.960 0.001 0.000 0.295 240 G HA3 0.432 4.392 3.960 0.001 0.000 0.295 240 G C -1.139 173.818 174.900 0.095 0.000 1.464 240 G CA -0.732 44.434 45.100 0.111 0.000 1.012 240 G HN 0.533 nan 8.290 nan 0.000 0.522 241 E N 0.152 120.394 120.200 0.070 0.000 2.398 241 E HA 0.512 4.863 4.350 0.001 0.000 0.263 241 E C 0.295 176.948 176.600 0.088 0.000 1.046 241 E CA 0.367 56.812 56.400 0.075 0.000 0.908 241 E CB 1.391 31.154 29.700 0.105 0.000 0.963 241 E HN 0.757 nan 8.360 nan 0.000 0.431 242 A N 1.210 124.083 122.820 0.089 0.000 2.597 242 A HA 0.726 5.046 4.320 0.001 0.000 0.292 242 A C -0.910 176.725 177.584 0.084 0.000 1.057 242 A CA -0.161 51.926 52.037 0.084 0.000 0.674 242 A CB 1.944 20.984 19.000 0.067 0.000 1.278 242 A HN 0.604 nan 8.150 nan 0.000 0.416 243 G N -0.881 107.962 108.800 0.070 0.000 2.706 243 G HA2 0.926 4.887 3.960 0.001 0.000 0.297 243 G HA3 0.926 4.887 3.960 0.001 0.000 0.297 243 G C -0.844 174.081 174.900 0.041 0.000 1.403 243 G CA 0.235 45.368 45.100 0.054 0.000 0.954 243 G HN 2.155 nan 8.290 nan 0.000 0.500 244 A N 0.966 123.808 122.820 0.036 0.000 2.517 244 A HA 0.826 5.146 4.320 0.001 0.000 0.297 244 A C -1.348 176.257 177.584 0.035 0.000 1.050 244 A CA -0.479 51.576 52.037 0.031 0.000 0.694 244 A CB 1.240 20.255 19.000 0.025 0.000 1.277 244 A HN 0.834 nan 8.150 nan 0.000 0.400 245 L N 2.251 123.496 121.223 0.037 0.000 2.409 245 L HA 0.805 5.145 4.340 0.001 0.000 0.262 245 L C -0.275 176.628 176.870 0.055 0.000 0.992 245 L CA -0.675 54.198 54.840 0.054 0.000 0.817 245 L CB 2.340 44.439 42.059 0.067 0.000 1.350 245 L HN 0.973 nan 8.230 nan 0.000 0.411 246 M N 1.670 121.314 119.600 0.074 0.000 2.619 246 M HA 0.662 5.142 4.480 0.001 0.000 0.297 246 M C -1.656 174.707 176.300 0.106 0.000 1.229 246 M CA -0.871 54.471 55.300 0.071 0.000 0.860 246 M CB 2.634 35.273 32.600 0.064 0.000 1.741 246 M HN 0.343 nan 8.290 nan 0.000 0.462 247 L N 3.992 125.268 121.223 0.088 0.000 2.287 247 L HA 0.728 5.068 4.340 0.001 0.000 0.287 247 L C -0.960 175.953 176.870 0.071 0.000 1.022 247 L CA -0.562 54.339 54.840 0.102 0.000 0.814 247 L CB 1.201 43.295 42.059 0.058 0.000 1.217 247 L HN 0.811 nan 8.230 nan 0.000 0.420 248 I N 2.362 122.987 120.570 0.092 0.000 2.740 248 I HA 0.852 5.022 4.170 0.001 0.000 0.303 248 I C -1.092 175.045 176.117 0.034 0.000 1.044 248 I CA -0.405 60.942 61.300 0.078 0.000 1.064 248 I CB 2.209 40.282 38.000 0.123 0.000 1.249 248 I HN 0.808 nan 8.210 nan 0.000 0.433 249 E N 2.218 122.426 120.200 0.013 0.000 2.429 249 E HA 0.301 4.652 4.350 0.001 0.000 0.280 249 E C -1.161 175.443 176.600 0.007 0.000 1.068 249 E CA -0.963 55.406 56.400 -0.052 0.000 0.837 249 E CB 1.410 31.030 29.700 -0.134 0.000 1.357 249 E HN 0.757 nan 8.360 nan 0.000 0.455 250 T N -1.830 112.727 114.554 0.006 0.000 2.926 250 T HA 0.029 4.379 4.350 0.001 0.000 0.307 250 T C 0.973 175.730 174.700 0.094 0.000 1.059 250 T CA 0.276 62.412 62.100 0.060 0.000 1.122 250 T CB 1.328 70.236 68.868 0.066 0.000 0.972 250 T HN 0.730 nan 8.240 nan 0.000 0.545 251 E N 0.684 120.942 120.200 0.097 0.000 2.118 251 E HA -0.230 4.120 4.350 0.001 0.000 0.195 251 E C 1.989 178.645 176.600 0.093 0.000 0.992 251 E CA 1.461 57.921 56.400 0.101 0.000 0.804 251 E CB -0.059 29.724 29.700 0.139 0.000 0.741 251 E HN 0.918 nan 8.360 nan 0.000 0.458 252 E N -0.157 120.099 120.200 0.093 0.000 2.051 252 E HA -0.281 4.069 4.350 0.001 0.000 0.192 252 E C 2.180 178.825 176.600 0.075 0.000 0.991 252 E CA 1.181 57.626 56.400 0.075 0.000 0.799 252 E CB -0.265 29.477 29.700 0.070 0.000 0.748 252 E HN 0.417 nan 8.360 nan 0.000 0.449 253 H N 0.081 119.154 119.070 0.006 0.000 2.353 253 H HA -0.068 4.489 4.556 0.000 0.000 0.300 253 H C 1.847 177.157 175.328 -0.029 0.000 1.090 253 H CA 1.738 57.781 56.048 -0.010 0.000 1.327 253 H CB -0.015 29.742 29.762 -0.007 0.000 1.383 253 H HN 0.299 nan 8.280 nan 0.000 0.508 254 A N 1.139 124.036 122.820 0.129 0.000 1.877 254 A HA -0.165 4.155 4.320 0.001 0.000 0.216 254 A C 2.523 180.091 177.584 -0.027 0.000 1.186 254 A CA 1.720 53.777 52.037 0.033 0.000 0.620 254 A CB -0.505 18.489 19.000 -0.010 0.000 0.822 254 A HN 0.436 nan 8.150 nan 0.000 0.443 255 K N -0.344 120.054 120.400 -0.004 0.000 2.057 255 K HA -0.070 4.250 4.320 0.001 0.000 0.207 255 K C 2.115 178.693 176.600 -0.036 0.000 1.049 255 K CA 1.184 57.468 56.287 -0.004 0.000 0.931 255 K CB -0.332 32.186 32.500 0.029 0.000 0.714 255 K HN 0.359 nan 8.250 nan 0.000 0.440 256 A N 1.906 124.688 122.820 -0.063 0.000 1.978 256 A HA -0.189 4.131 4.320 0.001 0.000 0.220 256 A C 1.889 179.402 177.584 -0.118 0.000 1.170 256 A CA 1.760 53.741 52.037 -0.094 0.000 0.636 256 A CB -0.496 18.426 19.000 -0.129 0.000 0.810 256 A HN 0.556 nan 8.150 nan 0.000 0.448 257 R N -1.633 118.780 120.500 -0.145 0.000 2.393 257 R HA 0.372 4.713 4.340 0.001 0.000 0.244 257 R C 0.949 177.190 176.300 -0.098 0.000 0.920 257 R CA 0.663 56.681 56.100 -0.137 0.000 1.076 257 R CB -0.520 29.669 30.300 -0.184 0.000 1.119 257 R HN 0.741 nan 8.270 nan 0.000 0.524 258 G N 0.562 109.317 108.800 -0.075 0.000 2.176 258 G HA2 -0.325 3.636 3.960 0.001 0.000 0.252 258 G HA3 -0.325 3.636 3.960 0.001 0.000 0.252 258 G C 0.200 175.060 174.900 -0.067 0.000 1.024 258 G CA 0.151 45.216 45.100 -0.058 0.000 0.755 258 G HN 0.689 nan 8.290 nan 0.000 0.507 259 A N -0.129 122.643 122.820 -0.080 0.000 2.354 259 A HA 0.658 4.978 4.320 0.001 0.000 0.269 259 A C 0.600 178.121 177.584 -0.105 0.000 1.109 259 A CA -0.122 51.857 52.037 -0.097 0.000 0.800 259 A CB 0.462 19.400 19.000 -0.103 0.000 1.045 259 A HN 0.451 nan 8.150 nan 0.000 0.489 260 K N 3.327 123.661 120.400 -0.110 0.000 2.267 260 K HA 0.370 4.690 4.320 0.001 0.000 0.282 260 K C -2.740 173.727 176.600 -0.222 0.000 1.078 260 K CA -1.463 54.747 56.287 -0.128 0.000 0.903 260 K CB 0.610 33.070 32.500 -0.066 0.000 1.111 260 K HN 0.401 nan 8.250 nan 0.000 0.475 261 P HA 0.010 nan 4.420 nan 0.000 0.269 261 P C 0.126 177.238 177.300 -0.315 0.000 1.209 261 P CA -0.058 62.738 63.100 -0.507 0.000 0.776 261 P CB 0.616 31.650 31.700 -1.110 0.000 0.876 262 L N 0.984 122.106 121.223 -0.168 0.000 2.416 262 L HA 0.391 4.731 4.340 0.001 0.000 0.216 262 L C 0.989 177.849 176.870 -0.017 0.000 1.098 262 L CA 0.566 55.356 54.840 -0.083 0.000 0.840 262 L CB -0.157 41.842 42.059 -0.100 0.000 0.981 262 L HN 0.453 nan 8.230 nan 0.000 0.462 263 A N -0.529 122.300 122.820 0.014 0.000 2.490 263 A HA 0.625 4.945 4.320 0.001 0.000 0.292 263 A C -1.282 176.409 177.584 0.178 0.000 1.047 263 A CA -0.793 51.318 52.037 0.124 0.000 0.632 263 A CB 0.844 19.893 19.000 0.081 0.000 1.323 263 A HN 0.012 nan 8.150 nan 0.000 0.448 264 R N -0.343 120.312 120.500 0.259 0.000 2.460 264 R HA 0.592 4.932 4.340 0.001 0.000 0.303 264 R C -1.189 175.270 176.300 0.265 0.000 0.968 264 R CA -0.704 55.550 56.100 0.256 0.000 0.889 264 R CB 1.705 32.159 30.300 0.257 0.000 1.123 264 R HN 0.528 nan 8.270 nan 0.000 0.455 265 L N 4.641 125.956 121.223 0.153 0.000 2.262 265 L HA 0.268 4.609 4.340 0.001 0.000 0.288 265 L C -0.171 176.614 176.870 -0.142 0.000 1.035 265 L CA 0.276 55.027 54.840 -0.148 0.000 0.820 265 L CB 0.939 42.942 42.059 -0.093 0.000 1.204 265 L HN 0.763 nan 8.230 nan 0.000 0.424 266 L N 4.325 125.359 121.223 -0.316 0.000 2.470 266 L HA 0.565 4.905 4.340 0.001 0.000 0.219 266 L C 0.916 177.552 176.870 -0.390 0.000 1.071 266 L CA 0.411 55.165 54.840 -0.143 0.000 0.850 266 L CB 0.157 42.195 42.059 -0.035 0.000 1.040 266 L HN 0.781 nan 8.230 nan 0.000 0.475 267 G N -0.461 107.779 108.800 -0.933 0.000 2.489 267 G HA2 0.634 4.594 3.960 0.001 0.000 0.291 267 G HA3 0.634 4.594 3.960 0.001 0.000 0.291 267 G C -2.173 172.050 174.900 -1.129 0.000 1.487 267 G CA 0.108 44.456 45.100 -1.253 0.000 0.795 267 G HN 0.025 nan 8.290 nan 0.000 0.513 268 A N -0.742 121.480 122.820 -0.997 0.000 2.459 268 A HA 0.924 5.244 4.320 0.001 0.000 0.296 268 A C -0.128 177.270 177.584 -0.310 0.000 1.039 268 A CA 0.051 51.745 52.037 -0.571 0.000 0.698 268 A CB 1.832 20.517 19.000 -0.524 0.000 1.261 268 A HN 2.099 nan 8.150 nan 0.000 0.405 269 G N 0.888 109.570 108.800 -0.196 0.000 2.470 269 G HA2 0.616 4.576 3.960 0.001 0.000 0.320 269 G HA3 0.616 4.576 3.960 0.001 0.000 0.320 269 G C -0.947 173.915 174.900 -0.063 0.000 1.245 269 G CA -0.441 44.599 45.100 -0.101 0.000 0.935 269 G HN 0.662 nan 8.290 nan 0.000 0.476 270 I N 2.315 122.862 120.570 -0.038 0.000 2.418 270 I HA 0.472 4.643 4.170 0.001 0.000 0.287 270 I C 0.340 176.466 176.117 0.015 0.000 1.008 270 I CA -0.583 60.713 61.300 -0.008 0.000 1.104 270 I CB 2.345 40.333 38.000 -0.020 0.000 1.264 270 I HN 0.650 nan 8.210 nan 0.000 0.438 271 T N 1.483 116.051 114.554 0.023 0.000 2.742 271 T HA 0.817 5.167 4.350 0.001 0.000 0.282 271 T C -0.440 174.271 174.700 0.018 0.000 1.025 271 T CA -0.784 61.323 62.100 0.011 0.000 1.020 271 T CB 1.991 70.845 68.868 -0.023 0.000 1.317 271 T HN 0.531 nan 8.240 nan 0.000 0.538 272 S N -0.633 115.064 115.700 -0.005 0.000 2.546 272 S HA 0.523 4.993 4.470 0.001 0.000 0.274 272 S C -0.491 174.084 174.600 -0.042 0.000 1.121 272 S CA -0.786 57.399 58.200 -0.025 0.000 0.887 272 S CB 1.890 65.092 63.200 0.004 0.000 1.094 272 S HN 0.617 nan 8.310 nan 0.000 0.474 273 D N 1.541 121.909 120.400 -0.054 0.000 2.183 273 D HA 0.238 4.879 4.640 0.001 0.000 0.205 273 D C 1.301 177.635 176.300 0.058 0.000 0.962 273 D CA 1.447 55.439 54.000 -0.013 0.000 0.849 273 D CB -0.545 40.267 40.800 0.020 0.000 0.978 273 D HN 1.164 nan 8.370 nan 0.000 0.488 274 A N -0.218 122.628 122.820 0.043 0.000 2.415 274 A HA -0.249 4.072 4.320 0.001 0.000 0.292 274 A C 0.661 178.328 177.584 0.138 0.000 1.452 274 A CA 0.958 53.030 52.037 0.058 0.000 0.750 274 A CB -2.074 16.948 19.000 0.037 0.000 1.099 274 A HN 0.398 nan 8.150 nan 0.000 0.391 275 F N -0.775 119.176 119.950 0.002 0.000 2.496 275 F HA 0.391 4.919 4.527 0.002 0.000 0.274 275 F C 0.614 176.483 175.800 0.114 0.000 0.924 275 F CA 1.165 59.189 58.000 0.041 0.000 1.147 275 F CB 0.583 39.602 39.000 0.032 0.000 0.969 275 F HN 0.678 nan 8.300 nan 0.000 0.749 276 H N 0.165 119.127 119.070 -0.180 0.000 3.068 276 H HA 0.271 4.827 4.556 0.000 0.000 0.342 276 H C 0.245 175.546 175.328 -0.046 0.000 1.284 276 H CA -0.404 55.483 56.048 -0.268 0.000 1.181 276 H CB 1.497 31.006 29.762 -0.422 0.000 1.898 276 H HN -0.036 nan 8.280 nan 0.000 0.540 277 M N 2.641 122.061 119.600 -0.301 0.000 2.296 277 M HA -0.068 4.413 4.480 0.001 0.000 0.265 277 M C 1.718 178.121 176.300 0.171 0.000 1.064 277 M CA 1.538 56.800 55.300 -0.063 0.000 1.109 277 M CB -0.464 32.044 32.600 -0.154 0.000 1.396 277 M HN 0.515 nan 8.290 nan 0.000 0.430 278 V N -4.120 116.047 119.914 0.421 0.000 3.159 278 V HA 0.496 4.616 4.120 0.001 0.000 0.234 278 V C 1.033 177.421 176.094 0.490 0.000 1.313 278 V CA 0.008 62.561 62.300 0.422 0.000 1.271 278 V CB -0.758 31.209 31.823 0.241 0.000 1.053 278 V HN 0.104 nan 8.190 nan 0.000 0.476 279 A N 3.878 126.925 122.820 0.379 0.000 2.388 279 A HA 0.692 5.012 4.320 0.001 0.000 0.257 279 A C -2.143 175.642 177.584 0.335 0.000 1.095 279 A CA -1.096 51.075 52.037 0.225 0.000 0.791 279 A CB -0.474 18.471 19.000 -0.092 0.000 1.029 279 A HN 0.501 nan 8.150 nan 0.000 0.489 280 P HA 0.319 nan 4.420 nan 0.000 0.274 280 P C -0.243 176.986 177.300 -0.118 0.000 1.231 280 P CA -0.087 63.061 63.100 0.079 0.000 0.790 280 P CB 0.892 32.600 31.700 0.014 0.000 0.951 281 A N 2.276 124.849 122.820 -0.411 0.000 2.488 281 A HA 0.352 4.672 4.320 0.001 0.000 0.249 281 A C 1.675 178.941 177.584 -0.529 0.000 1.083 281 A CA 0.302 51.742 52.037 -0.995 0.000 0.768 281 A CB -0.397 18.157 19.000 -0.744 0.000 1.017 281 A HN 0.607 nan 8.150 nan 0.000 0.496 282 A N 2.247 124.772 122.820 -0.492 0.000 1.972 282 A HA -0.124 4.196 4.320 0.001 0.000 0.219 282 A C 1.541 179.017 177.584 -0.180 0.000 1.169 282 A CA 1.904 53.803 52.037 -0.229 0.000 0.635 282 A CB -0.552 18.361 19.000 -0.144 0.000 0.810 282 A HN 0.935 nan 8.150 nan 0.000 0.446 283 D N -1.503 118.768 120.400 -0.214 0.000 2.348 283 D HA 0.170 4.810 4.640 0.001 0.000 0.216 283 D C 1.303 177.516 176.300 -0.146 0.000 0.970 283 D CA 0.984 54.894 54.000 -0.149 0.000 0.889 283 D CB -0.939 39.780 40.800 -0.134 0.000 0.912 283 D HN 0.738 nan 8.370 nan 0.000 0.524 284 G N -0.214 108.472 108.800 -0.191 0.000 2.212 284 G HA2 -0.350 3.610 3.960 0.001 0.000 0.267 284 G HA3 -0.350 3.610 3.960 0.001 0.000 0.267 284 G C 1.100 175.882 174.900 -0.198 0.000 1.002 284 G CA 0.686 45.663 45.100 -0.205 0.000 0.729 284 G HN 0.379 nan 8.290 nan 0.000 0.517 285 V N 0.210 120.022 119.914 -0.170 0.000 2.307 285 V HA -0.129 3.991 4.120 0.001 0.000 0.245 285 V C 2.909 178.919 176.094 -0.140 0.000 1.045 285 V CA 2.367 64.590 62.300 -0.129 0.000 1.024 285 V CB -0.355 31.409 31.823 -0.098 0.000 0.651 285 V HN 0.439 nan 8.190 nan 0.000 0.449 286 R N 0.396 120.800 120.500 -0.159 0.000 2.115 286 R HA 0.059 4.399 4.340 0.001 0.000 0.226 286 R C 2.315 178.487 176.300 -0.214 0.000 1.100 286 R CA 1.364 57.375 56.100 -0.148 0.000 0.980 286 R CB -1.319 28.909 30.300 -0.120 0.000 0.875 286 R HN 0.522 nan 8.270 nan 0.000 0.445 287 A N 0.760 123.361 122.820 -0.365 0.000 1.877 287 A HA -0.067 4.253 4.320 0.001 0.000 0.216 287 A C 2.437 179.800 177.584 -0.368 0.000 1.186 287 A CA 1.863 53.503 52.037 -0.661 0.000 0.620 287 A CB -1.150 17.107 19.000 -1.239 0.000 0.822 287 A HN 0.393 nan 8.150 nan 0.000 0.443 288 G N -0.451 108.208 108.800 -0.236 0.000 2.418 288 G HA2 -0.274 3.687 3.960 0.001 0.000 0.217 288 G HA3 -0.274 3.687 3.960 0.001 0.000 0.217 288 G C 1.679 176.540 174.900 -0.064 0.000 1.158 288 G CA 1.310 46.351 45.100 -0.098 0.000 0.771 288 G HN 0.545 nan 8.290 nan 0.000 0.545 289 R N 1.264 121.716 120.500 -0.081 0.000 2.127 289 R HA 0.082 4.422 4.340 0.001 0.000 0.238 289 R C 2.650 178.928 176.300 -0.037 0.000 1.134 289 R CA 1.813 57.882 56.100 -0.052 0.000 0.975 289 R CB -0.816 29.452 30.300 -0.053 0.000 0.865 289 R HN 0.240 nan 8.270 nan 0.000 0.447 290 A N 0.358 123.155 122.820 -0.037 0.000 1.902 290 A HA -0.157 4.163 4.320 0.001 0.000 0.217 290 A C 2.239 179.824 177.584 0.003 0.000 1.181 290 A CA 1.787 53.822 52.037 -0.003 0.000 0.623 290 A CB -0.480 18.548 19.000 0.046 0.000 0.818 290 A HN 0.427 nan 8.150 nan 0.000 0.443 291 M N -0.862 118.755 119.600 0.028 0.000 2.065 291 M HA -0.149 4.331 4.480 0.001 0.000 0.259 291 M C 2.289 178.576 176.300 -0.022 0.000 1.069 291 M CA 2.154 57.463 55.300 0.015 0.000 1.110 291 M CB -0.973 31.653 32.600 0.043 0.000 1.328 291 M HN 0.419 nan 8.290 nan 0.000 0.405 292 T N -0.242 114.299 114.554 -0.022 0.000 2.720 292 T HA -0.180 4.170 4.350 0.001 0.000 0.268 292 T C 1.800 176.480 174.700 -0.032 0.000 1.037 292 T CA 1.572 63.655 62.100 -0.027 0.000 1.144 292 T CB -0.343 68.511 68.868 -0.023 0.000 0.864 292 T HN 0.207 nan 8.240 nan 0.000 0.444 293 R N 1.909 122.390 120.500 -0.032 0.000 2.091 293 R HA -0.089 4.251 4.340 0.001 0.000 0.238 293 R C 2.619 178.882 176.300 -0.062 0.000 1.136 293 R CA 2.161 58.243 56.100 -0.030 0.000 0.959 293 R CB -1.003 29.281 30.300 -0.026 0.000 0.856 293 R HN 0.503 nan 8.270 nan 0.000 0.437 294 S N -0.015 115.623 115.700 -0.103 0.000 2.382 294 S HA -0.121 4.349 4.470 0.001 0.000 0.228 294 S C 2.071 176.581 174.600 -0.149 0.000 1.027 294 S CA 1.378 59.469 58.200 -0.182 0.000 0.991 294 S CB -0.549 62.526 63.200 -0.208 0.000 0.823 294 S HN 0.378 nan 8.310 nan 0.000 0.469 295 L N 1.044 122.210 121.223 -0.095 0.000 2.056 295 L HA -0.048 4.293 4.340 0.001 0.000 0.207 295 L C 2.974 179.814 176.870 -0.051 0.000 1.078 295 L CA 1.657 56.447 54.840 -0.082 0.000 0.749 295 L CB -0.800 41.218 42.059 -0.067 0.000 0.901 295 L HN 0.389 nan 8.230 nan 0.000 0.433 296 E N 0.553 120.739 120.200 -0.023 0.000 2.049 296 E HA -0.246 4.104 4.350 0.001 0.000 0.198 296 E C 2.337 178.979 176.600 0.070 0.000 1.007 296 E CA 1.325 57.734 56.400 0.016 0.000 0.809 296 E CB -0.220 29.496 29.700 0.027 0.000 0.749 296 E HN 0.437 nan 8.360 nan 0.000 0.450 297 L N 0.341 121.618 121.223 0.089 0.000 2.093 297 L HA -0.149 4.191 4.340 0.001 0.000 0.208 297 L C 2.553 179.572 176.870 0.249 0.000 1.085 297 L CA 0.884 55.874 54.840 0.251 0.000 0.755 297 L CB -0.419 41.717 42.059 0.128 0.000 0.904 297 L HN 0.151 nan 8.230 nan 0.000 0.435 298 A N -0.299 122.547 122.820 0.043 0.000 1.969 298 A HA 0.091 4.411 4.320 0.001 0.000 0.218 298 A C 1.768 179.377 177.584 0.041 0.000 1.169 298 A CA 1.172 53.223 52.037 0.024 0.000 0.635 298 A CB -0.608 18.335 19.000 -0.095 0.000 0.810 298 A HN 0.545 nan 8.150 nan 0.000 0.445 299 G N -1.587 107.222 108.800 0.015 0.000 2.165 299 G HA2 -0.157 3.803 3.960 0.001 0.000 0.226 299 G HA3 -0.157 3.803 3.960 0.001 0.000 0.226 299 G C -0.139 174.716 174.900 -0.076 0.000 1.035 299 G CA 0.308 45.402 45.100 -0.010 0.000 0.744 299 G HN 0.486 nan 8.290 nan 0.000 0.501 300 L N 0.338 121.490 121.223 -0.119 0.000 2.313 300 L HA 0.835 5.175 4.340 0.001 0.000 0.268 300 L C 0.894 177.693 176.870 -0.118 0.000 1.010 300 L CA -0.594 54.131 54.840 -0.192 0.000 0.814 300 L CB 2.056 43.923 42.059 -0.320 0.000 1.304 300 L HN 0.393 nan 8.230 nan 0.000 0.441 301 S N -0.611 115.024 115.700 -0.108 0.000 2.638 301 S HA 0.506 4.976 4.470 0.001 0.000 0.298 301 S C -2.177 172.392 174.600 -0.051 0.000 1.111 301 S CA -1.395 56.768 58.200 -0.061 0.000 1.027 301 S CB 1.773 64.950 63.200 -0.038 0.000 1.064 301 S HN 0.363 nan 8.310 nan 0.000 0.525 302 P HA -0.097 nan 4.420 nan 0.000 0.216 302 P C 1.433 178.736 177.300 0.006 0.000 1.150 302 P CA 1.986 65.079 63.100 -0.013 0.000 0.843 302 P CB -0.317 31.378 31.700 -0.009 0.000 0.787 303 A N -0.237 122.587 122.820 0.007 0.000 2.070 303 A HA -0.179 4.141 4.320 0.001 0.000 0.220 303 A C 1.833 179.449 177.584 0.053 0.000 1.159 303 A CA 1.633 53.686 52.037 0.027 0.000 0.656 303 A CB -1.109 17.904 19.000 0.022 0.000 0.800 303 A HN 0.104 nan 8.150 nan 0.000 0.453 304 D N -0.119 120.303 120.400 0.037 0.000 2.312 304 D HA -0.008 4.632 4.640 0.001 0.000 0.211 304 D C 0.333 176.751 176.300 0.196 0.000 0.964 304 D CA 0.445 54.502 54.000 0.095 0.000 0.877 304 D CB -0.065 40.671 40.800 -0.107 0.000 0.924 304 D HN 0.246 nan 8.370 nan 0.000 0.515 305 I N 2.303 122.945 120.570 0.119 0.000 2.347 305 I HA -0.008 4.163 4.170 0.001 0.000 0.294 305 I C 1.007 177.219 176.117 0.159 0.000 1.090 305 I CA -0.042 61.345 61.300 0.145 0.000 1.314 305 I CB 0.789 38.831 38.000 0.069 0.000 1.423 305 I HN -0.205 nan 8.210 nan 0.000 0.503 306 D N 3.625 124.161 120.400 0.227 0.000 2.305 306 D HA -0.038 4.602 4.640 0.001 0.000 0.206 306 D C 0.495 176.945 176.300 0.251 0.000 0.974 306 D CA 1.128 55.283 54.000 0.257 0.000 0.871 306 D CB 0.342 41.354 40.800 0.354 0.000 0.947 306 D HN 0.584 nan 8.370 nan 0.000 0.516 307 H N -0.649 118.452 119.070 0.051 0.000 3.029 307 H HA 0.416 4.972 4.556 -0.000 0.000 0.358 307 H C -1.827 173.487 175.328 -0.023 0.000 1.129 307 H CA -0.630 55.379 56.048 -0.065 0.000 1.230 307 H CB 1.229 30.855 29.762 -0.228 0.000 1.827 307 H HN -0.356 nan 8.280 nan 0.000 0.530 308 V N 5.317 124.898 119.914 -0.555 0.000 2.444 308 V HA 0.262 4.383 4.120 0.001 0.000 0.294 308 V C -0.063 175.633 176.094 -0.663 0.000 1.022 308 V CA -1.022 60.978 62.300 -0.500 0.000 0.850 308 V CB 1.466 33.164 31.823 -0.209 0.000 0.992 308 V HN 0.830 nan 8.190 nan 0.000 0.426 309 N N 4.139 122.512 118.700 -0.546 0.000 2.469 309 N HA 0.369 5.109 4.740 0.001 0.000 0.239 309 N C 0.036 175.441 175.510 -0.175 0.000 1.053 309 N CA -0.126 52.785 53.050 -0.232 0.000 0.937 309 N CB 1.597 40.043 38.487 -0.069 0.000 1.163 309 N HN 0.828 nan 8.380 nan 0.000 0.509 310 A N 2.744 125.491 122.820 -0.122 0.000 2.425 310 A HA 0.057 4.377 4.320 0.001 0.000 0.242 310 A C 1.226 178.718 177.584 -0.153 0.000 1.077 310 A CA -0.126 51.873 52.037 -0.063 0.000 0.781 310 A CB 0.186 19.302 19.000 0.194 0.000 1.020 310 A HN 0.903 nan 8.150 nan 0.000 0.494 311 H N 1.526 120.399 119.070 -0.327 0.000 2.353 311 H HA 0.057 4.613 4.556 0.000 0.000 0.300 311 H C 1.562 176.681 175.328 -0.348 0.000 1.090 311 H CA 1.812 57.619 56.048 -0.401 0.000 1.327 311 H CB -0.461 28.979 29.762 -0.538 0.000 1.383 311 H HN 1.245 nan 8.280 nan 0.000 0.508 312 G N 0.542 109.136 108.800 -0.343 0.000 2.357 312 G HA2 -0.326 3.634 3.960 0.001 0.000 0.282 312 G HA3 -0.326 3.634 3.960 0.001 0.000 0.282 312 G C 1.076 175.615 174.900 -0.602 0.000 0.910 312 G CA 0.963 45.733 45.100 -0.550 0.000 1.267 312 G HN 0.779 nan 8.290 nan 0.000 0.476 313 T N -2.732 111.460 114.554 -0.602 0.000 3.055 313 T HA 0.420 4.771 4.350 0.001 0.000 0.265 313 T C 1.919 176.469 174.700 -0.250 0.000 1.111 313 T CA 1.596 63.387 62.100 -0.515 0.000 1.118 313 T CB 0.051 68.616 68.868 -0.505 0.000 0.909 313 T HN 2.331 nan 8.240 nan 0.000 0.501 314 A N 0.720 123.375 122.820 -0.275 0.000 3.330 314 A HA -0.114 4.206 4.320 0.001 0.000 0.248 314 A C 0.839 178.380 177.584 -0.071 0.000 1.237 314 A CA 0.866 52.800 52.037 -0.172 0.000 1.268 314 A CB -2.961 15.974 19.000 -0.107 0.000 1.128 314 A HN 1.334 nan 8.150 nan 0.000 0.922 315 T N -2.485 112.053 114.554 -0.026 0.000 2.918 315 T HA 0.507 4.857 4.350 0.001 0.000 0.302 315 T C -0.978 173.725 174.700 0.005 0.000 1.045 315 T CA -0.781 61.343 62.100 0.038 0.000 1.114 315 T CB 1.019 69.970 68.868 0.138 0.000 0.965 315 T HN 0.066 nan 8.240 nan 0.000 0.540 316 P HA -0.117 nan 4.420 nan 0.000 0.214 316 P C 1.739 179.058 177.300 0.032 0.000 1.163 316 P CA 1.250 64.363 63.100 0.022 0.000 0.889 316 P CB -0.170 31.545 31.700 0.025 0.000 0.790 317 I N -4.197 116.401 120.570 0.047 0.000 2.617 317 I HA 0.081 4.251 4.170 0.001 0.000 0.256 317 I C 2.139 178.286 176.117 0.049 0.000 1.167 317 I CA 1.564 62.893 61.300 0.048 0.000 1.469 317 I CB -1.390 36.644 38.000 0.056 0.000 1.098 317 I HN -0.158 nan 8.210 nan 0.000 0.436 318 G N 1.514 110.348 108.800 0.057 0.000 2.404 318 G HA2 -0.210 3.750 3.960 0.001 0.000 0.215 318 G HA3 -0.210 3.750 3.960 0.001 0.000 0.215 318 G C 1.148 176.070 174.900 0.036 0.000 1.174 318 G CA 1.106 46.238 45.100 0.054 0.000 0.780 318 G HN 0.366 nan 8.290 nan 0.000 0.537 319 D N 0.985 121.363 120.400 -0.036 0.000 2.144 319 D HA 0.024 4.664 4.640 0.001 0.000 0.200 319 D C 2.771 179.170 176.300 0.165 0.000 0.978 319 D CA 1.092 55.060 54.000 -0.054 0.000 0.833 319 D CB -0.424 40.207 40.800 -0.282 0.000 0.961 319 D HN 0.301 nan 8.370 nan 0.000 0.470 320 A N 1.061 123.943 122.820 0.104 0.000 1.902 320 A HA -0.032 4.288 4.320 0.001 0.000 0.217 320 A C 2.310 179.938 177.584 0.074 0.000 1.181 320 A CA 2.125 54.222 52.037 0.099 0.000 0.623 320 A CB -0.725 18.310 19.000 0.058 0.000 0.818 320 A HN 0.231 nan 8.150 nan 0.000 0.443 321 A N -0.393 122.455 122.820 0.046 0.000 1.902 321 A HA -0.177 4.144 4.320 0.001 0.000 0.217 321 A C 2.037 179.640 177.584 0.031 0.000 1.181 321 A CA 1.824 53.858 52.037 -0.004 0.000 0.623 321 A CB -0.508 18.466 19.000 -0.043 0.000 0.818 321 A HN 0.682 nan 8.150 nan 0.000 0.443 322 E N -0.160 120.126 120.200 0.144 0.000 2.106 322 E HA -0.056 4.294 4.350 0.001 0.000 0.192 322 E C 2.097 178.817 176.600 0.199 0.000 0.984 322 E CA 0.877 57.430 56.400 0.255 0.000 0.806 322 E CB -0.257 29.695 29.700 0.420 0.000 0.750 322 E HN 0.521 nan 8.360 nan 0.000 0.458 323 A N 1.437 124.373 122.820 0.194 0.000 1.883 323 A HA -0.251 4.069 4.320 0.001 0.000 0.217 323 A C 1.988 179.593 177.584 0.034 0.000 1.186 323 A CA 1.793 53.881 52.037 0.086 0.000 0.624 323 A CB -0.727 18.327 19.000 0.091 0.000 0.822 323 A HN 0.274 nan 8.150 nan 0.000 0.444 324 N N 0.321 119.035 118.700 0.024 0.000 2.120 324 N HA -0.122 4.618 4.740 0.001 0.000 0.188 324 N C 1.932 177.424 175.510 -0.030 0.000 1.024 324 N CA 1.627 54.669 53.050 -0.014 0.000 0.852 324 N CB -0.659 37.806 38.487 -0.037 0.000 1.003 324 N HN 0.471 nan 8.380 nan 0.000 0.424 325 A N 1.334 124.131 122.820 -0.037 0.000 1.865 325 A HA -0.129 4.191 4.320 0.001 0.000 0.217 325 A C 2.365 179.947 177.584 -0.005 0.000 1.191 325 A CA 1.226 53.227 52.037 -0.061 0.000 0.623 325 A CB -0.859 18.075 19.000 -0.111 0.000 0.826 325 A HN 0.257 nan 8.150 nan 0.000 0.444 326 I N -1.014 119.578 120.570 0.036 0.000 2.208 326 I HA -0.297 3.874 4.170 0.001 0.000 0.245 326 I C 2.830 178.945 176.117 -0.004 0.000 1.097 326 I CA 1.512 62.825 61.300 0.023 0.000 1.363 326 I CB -0.338 37.665 38.000 0.005 0.000 1.051 326 I HN 0.306 nan 8.210 nan 0.000 0.413 327 R N 0.103 120.597 120.500 -0.012 0.000 2.073 327 R HA -0.122 4.218 4.340 0.001 0.000 0.234 327 R C 2.345 178.634 176.300 -0.018 0.000 1.134 327 R CA 1.343 57.434 56.100 -0.016 0.000 0.952 327 R CB -0.533 29.758 30.300 -0.016 0.000 0.850 327 R HN 0.199 nan 8.270 nan 0.000 0.433 328 V N 1.068 120.966 119.914 -0.026 0.000 2.380 328 V HA -0.263 3.857 4.120 0.001 0.000 0.251 328 V C 2.213 178.291 176.094 -0.026 0.000 1.063 328 V CA 2.054 64.334 62.300 -0.032 0.000 1.055 328 V CB -0.586 31.207 31.823 -0.051 0.000 0.657 328 V HN 0.437 nan 8.190 nan 0.000 0.455 329 A N -0.905 121.903 122.820 -0.020 0.000 2.208 329 A HA 0.372 4.693 4.320 0.001 0.000 0.209 329 A C 1.946 179.523 177.584 -0.012 0.000 1.161 329 A CA 1.022 53.050 52.037 -0.015 0.000 0.782 329 A CB -0.486 18.512 19.000 -0.004 0.000 0.816 329 A HN 1.279 nan 8.150 nan 0.000 0.477 330 G N -2.518 106.276 108.800 -0.011 0.000 2.143 330 G HA2 -0.278 3.683 3.960 0.001 0.000 0.248 330 G HA3 -0.278 3.683 3.960 0.001 0.000 0.248 330 G C 0.435 175.333 174.900 -0.004 0.000 0.991 330 G CA 0.301 45.397 45.100 -0.008 0.000 0.689 330 G HN 0.687 nan 8.290 nan 0.000 0.522 331 C N 1.166 120.463 119.300 -0.005 0.000 2.881 331 C HA 0.311 4.771 4.460 0.001 0.000 0.290 331 C C 1.811 176.795 174.990 -0.011 0.000 1.362 331 C CA 0.015 59.031 59.018 -0.003 0.000 1.757 331 C CB -0.360 27.378 27.740 -0.004 0.000 2.265 331 C HN 0.682 nan 8.230 nan 0.000 0.600 332 D N 0.117 120.509 120.400 -0.014 0.000 2.363 332 D HA -0.096 4.544 4.640 0.001 0.000 0.226 332 D C 1.558 177.847 176.300 -0.019 0.000 1.020 332 D CA 0.797 54.781 54.000 -0.027 0.000 0.892 332 D CB -0.119 40.665 40.800 -0.027 0.000 0.900 332 D HN 0.349 nan 8.370 nan 0.000 0.531 333 Q N 0.262 120.062 119.800 -0.001 0.000 2.392 333 Q HA 0.282 4.623 4.340 0.001 0.000 0.203 333 Q C 0.674 176.691 176.000 0.028 0.000 0.917 333 Q CA 0.054 55.865 55.803 0.014 0.000 0.939 333 Q CB 0.380 29.132 28.738 0.024 0.000 1.063 333 Q HN 0.403 nan 8.270 nan 0.000 0.516 334 A N 1.132 123.965 122.820 0.021 0.000 2.425 334 A HA 0.463 4.784 4.320 0.001 0.000 0.242 334 A C 0.104 177.706 177.584 0.031 0.000 1.077 334 A CA 0.195 52.257 52.037 0.040 0.000 0.781 334 A CB 0.236 19.244 19.000 0.013 0.000 1.020 334 A HN 0.254 nan 8.150 nan 0.000 0.494 335 A N 1.755 124.624 122.820 0.081 0.000 2.409 335 A HA 0.516 4.837 4.320 0.001 0.000 0.267 335 A C -0.057 177.575 177.584 0.080 0.000 1.127 335 A CA -0.218 51.861 52.037 0.069 0.000 0.795 335 A CB -0.115 18.936 19.000 0.085 0.000 1.061 335 A HN 0.985 nan 8.150 nan 0.000 0.502 336 V N 3.563 123.474 119.914 -0.005 0.000 2.435 336 V HA 0.365 4.486 4.120 0.001 0.000 0.290 336 V C -0.671 175.474 176.094 0.084 0.000 1.030 336 V CA -0.409 61.869 62.300 -0.037 0.000 0.881 336 V CB 1.235 32.924 31.823 -0.224 0.000 0.983 336 V HN 0.790 nan 8.190 nan 0.000 0.445 337 Y N 3.617 123.927 120.300 0.017 0.000 2.409 337 Y HA 0.749 5.299 4.550 -0.000 0.000 0.343 337 Y C -0.073 175.850 175.900 0.038 0.000 0.973 337 Y CA -1.681 56.443 58.100 0.039 0.000 1.064 337 Y CB 1.959 40.499 38.460 0.133 0.000 1.207 337 Y HN 0.631 nan 8.280 nan 0.000 0.452 338 A N 8.607 131.257 122.820 -0.285 0.000 2.664 338 A HA 0.450 4.770 4.320 0.001 0.000 0.338 338 A C -2.326 174.848 177.584 -0.683 0.000 1.280 338 A CA -1.509 50.298 52.037 -0.383 0.000 0.809 338 A CB 0.243 19.183 19.000 -0.099 0.000 1.114 338 A HN 0.615 nan 8.150 nan 0.000 0.479 339 P HA -0.162 nan 4.420 nan 0.000 0.222 339 P C 0.990 178.113 177.300 -0.295 0.000 1.147 339 P CA 1.076 63.757 63.100 -0.699 0.000 0.790 339 P CB 0.201 31.610 31.700 -0.485 0.000 0.780 340 K N 0.531 120.753 120.400 -0.296 0.000 2.281 340 K HA -0.093 4.227 4.320 0.001 0.000 0.203 340 K C 2.308 178.824 176.600 -0.141 0.000 1.046 340 K CA 1.562 57.723 56.287 -0.210 0.000 0.938 340 K CB -0.470 31.849 32.500 -0.302 0.000 0.737 340 K HN 0.259 nan 8.250 nan 0.000 0.458 341 S N 0.662 116.276 115.700 -0.144 0.000 2.402 341 S HA -0.197 4.274 4.470 0.001 0.000 0.233 341 S C 2.033 176.621 174.600 -0.020 0.000 1.030 341 S CA 1.270 59.435 58.200 -0.059 0.000 1.003 341 S CB -0.115 63.075 63.200 -0.017 0.000 0.813 341 S HN 0.338 nan 8.310 nan 0.000 0.477 342 A N 0.328 123.138 122.820 -0.016 0.000 2.070 342 A HA 0.584 4.905 4.320 0.001 0.000 0.202 342 A C 1.969 179.552 177.584 -0.002 0.000 1.277 342 A CA 0.085 52.129 52.037 0.011 0.000 0.872 342 A CB -0.067 18.967 19.000 0.057 0.000 0.933 342 A HN 0.450 nan 8.150 nan 0.000 0.475 343 L N -0.774 120.443 121.223 -0.010 0.000 2.590 343 L HA 0.359 4.699 4.340 0.001 0.000 0.227 343 L C 1.332 178.206 176.870 0.007 0.000 1.099 343 L CA 0.419 55.261 54.840 0.004 0.000 0.872 343 L CB -0.092 41.976 42.059 0.014 0.000 1.088 343 L HN 0.569 nan 8.230 nan 0.000 0.479 344 G N 0.075 108.871 108.800 -0.008 0.000 2.804 344 G HA2 -0.328 3.633 3.960 0.001 0.000 0.230 344 G HA3 -0.328 3.633 3.960 0.001 0.000 0.230 344 G C -0.619 174.317 174.900 0.059 0.000 1.386 344 G CA -0.322 44.799 45.100 0.036 0.000 0.875 344 G HN 0.425 nan 8.290 nan 0.000 0.557 345 H N -0.052 118.998 119.070 -0.033 0.000 2.467 345 H HA 0.580 5.136 4.556 0.001 0.000 0.326 345 H C 0.670 176.025 175.328 0.045 0.000 1.094 345 H CA -0.184 55.783 56.048 -0.134 0.000 1.253 345 H CB 0.965 30.448 29.762 -0.465 0.000 1.439 345 H HN 0.844 nan 8.280 nan 0.000 0.479 346 S N 5.948 121.729 115.700 0.134 0.000 2.474 346 S HA 0.192 4.663 4.470 0.001 0.000 0.224 346 S C 0.967 175.539 174.600 -0.047 0.000 1.209 346 S CA -0.524 57.690 58.200 0.023 0.000 1.212 346 S CB -0.522 62.714 63.200 0.060 0.000 1.137 346 S HN 0.784 nan 8.310 nan 0.000 0.446 347 I N 1.171 121.557 120.570 -0.307 0.000 4.900 347 I HA -0.447 3.723 4.170 0.001 0.000 0.039 347 I C 2.432 178.560 176.117 0.018 0.000 0.635 347 I CA 2.069 63.256 61.300 -0.189 0.000 0.242 347 I CB -1.517 36.403 38.000 -0.133 0.000 0.337 347 I HN 0.574 nan 8.210 nan 0.000 0.152 348 G N -0.625 108.190 108.800 0.025 0.000 2.471 348 G HA2 0.062 4.022 3.960 0.001 0.000 0.219 348 G HA3 0.062 4.022 3.960 0.001 0.000 0.219 348 G C 1.432 176.361 174.900 0.048 0.000 1.125 348 G CA 1.028 46.155 45.100 0.045 0.000 0.775 348 G HN 0.831 nan 8.290 nan 0.000 0.548 349 A N -0.329 122.520 122.820 0.048 0.000 2.081 349 A HA 0.360 4.680 4.320 0.001 0.000 0.214 349 A C 2.348 179.963 177.584 0.052 0.000 1.158 349 A CA 0.995 53.062 52.037 0.050 0.000 0.724 349 A CB -0.242 18.790 19.000 0.054 0.000 0.826 349 A HN 0.262 nan 8.150 nan 0.000 0.463 350 V N 0.176 120.130 119.914 0.067 0.000 2.427 350 V HA -0.119 4.001 4.120 0.001 0.000 0.248 350 V C 2.421 178.531 176.094 0.027 0.000 1.051 350 V CA 2.324 64.659 62.300 0.059 0.000 1.048 350 V CB -0.696 31.192 31.823 0.109 0.000 0.666 350 V HN 0.521 nan 8.190 nan 0.000 0.456 351 G N -1.016 107.807 108.800 0.038 0.000 2.432 351 G HA2 -0.175 3.785 3.960 0.001 0.000 0.219 351 G HA3 -0.175 3.785 3.960 0.001 0.000 0.219 351 G C 1.703 176.616 174.900 0.023 0.000 1.135 351 G CA 0.980 46.091 45.100 0.017 0.000 0.767 351 G HN 0.695 nan 8.290 nan 0.000 0.550 352 A N 0.494 123.334 122.820 0.033 0.000 1.872 352 A HA 0.154 4.474 4.320 0.001 0.000 0.214 352 A C 2.313 179.908 177.584 0.018 0.000 1.187 352 A CA 1.523 53.583 52.037 0.038 0.000 0.614 352 A CB -0.473 18.553 19.000 0.043 0.000 0.826 352 A HN 0.437 nan 8.150 nan 0.000 0.442 353 L N 0.460 121.693 121.223 0.016 0.000 2.012 353 L HA -0.195 4.146 4.340 0.001 0.000 0.210 353 L C 2.102 178.964 176.870 -0.012 0.000 1.073 353 L CA 2.618 57.462 54.840 0.007 0.000 0.748 353 L CB -0.771 41.301 42.059 0.022 0.000 0.891 353 L HN 0.539 nan 8.230 nan 0.000 0.431 354 E N -1.001 119.188 120.200 -0.019 0.000 2.204 354 E HA -0.153 4.198 4.350 0.001 0.000 0.194 354 E C 2.104 178.668 176.600 -0.059 0.000 0.989 354 E CA 1.139 57.518 56.400 -0.035 0.000 0.824 354 E CB -0.093 29.569 29.700 -0.063 0.000 0.756 354 E HN 0.529 nan 8.360 nan 0.000 0.477 355 S N 0.514 116.185 115.700 -0.049 0.000 2.368 355 S HA -0.121 4.349 4.470 0.001 0.000 0.224 355 S C 2.230 176.653 174.600 -0.294 0.000 1.029 355 S CA 0.786 58.925 58.200 -0.102 0.000 0.988 355 S CB -0.132 63.133 63.200 0.108 0.000 0.838 355 S HN 0.067 nan 8.310 nan 0.000 0.462 356 V N 2.400 122.212 119.914 -0.171 0.000 2.332 356 V HA -0.189 3.931 4.120 0.001 0.000 0.248 356 V C 2.169 178.090 176.094 -0.289 0.000 1.055 356 V CA 1.600 63.776 62.300 -0.208 0.000 1.038 356 V CB -0.772 30.981 31.823 -0.116 0.000 0.651 356 V HN 0.430 nan 8.190 nan 0.000 0.450 357 L N -0.476 120.631 121.223 -0.194 0.000 2.083 357 L HA -0.164 4.176 4.340 0.001 0.000 0.209 357 L C 2.600 179.328 176.870 -0.237 0.000 1.083 357 L CA 1.875 56.607 54.840 -0.179 0.000 0.752 357 L CB -1.050 41.079 42.059 0.117 0.000 0.899 357 L HN 0.355 nan 8.230 nan 0.000 0.433 358 T N -0.533 113.892 114.554 -0.214 0.000 2.746 358 T HA -0.146 4.204 4.350 0.001 0.000 0.267 358 T C 2.044 176.519 174.700 -0.376 0.000 1.039 358 T CA 1.230 63.201 62.100 -0.215 0.000 1.142 358 T CB -0.218 68.469 68.868 -0.301 0.000 0.866 358 T HN 0.054 nan 8.240 nan 0.000 0.444 359 V N 1.593 121.171 119.914 -0.559 0.000 2.332 359 V HA -0.140 3.981 4.120 0.001 0.000 0.248 359 V C 2.474 178.346 176.094 -0.370 0.000 1.055 359 V CA 1.531 63.559 62.300 -0.454 0.000 1.038 359 V CB -0.662 30.908 31.823 -0.421 0.000 0.651 359 V HN 0.453 nan 8.190 nan 0.000 0.450 360 L N -0.682 120.212 121.223 -0.550 0.000 2.093 360 L HA -0.153 4.188 4.340 0.001 0.000 0.208 360 L C 2.627 179.186 176.870 -0.517 0.000 1.085 360 L CA 1.816 56.184 54.840 -0.788 0.000 0.755 360 L CB -1.050 40.002 42.059 -1.677 0.000 0.904 360 L HN 0.330 nan 8.230 nan 0.000 0.435 361 T N 0.520 114.853 114.554 -0.369 0.000 2.684 361 T HA -0.187 4.163 4.350 0.001 0.000 0.267 361 T C 1.974 176.681 174.700 0.011 0.000 1.036 361 T CA 1.398 63.473 62.100 -0.042 0.000 1.148 361 T CB -0.251 68.516 68.868 -0.168 0.000 0.863 361 T HN 0.189 nan 8.240 nan 0.000 0.436 362 L N 0.231 121.433 121.223 -0.035 0.000 2.093 362 L HA -0.020 4.320 4.340 0.001 0.000 0.208 362 L C 2.862 179.751 176.870 0.032 0.000 1.085 362 L CA 1.202 56.064 54.840 0.036 0.000 0.755 362 L CB -0.448 41.625 42.059 0.024 0.000 0.904 362 L HN 0.139 nan 8.230 nan 0.000 0.435 363 R N 0.152 120.638 120.500 -0.023 0.000 2.073 363 R HA -0.166 4.174 4.340 0.001 0.000 0.234 363 R C 1.326 177.655 176.300 0.048 0.000 1.134 363 R CA 1.919 58.017 56.100 -0.003 0.000 0.952 363 R CB -0.007 30.255 30.300 -0.065 0.000 0.850 363 R HN 0.303 nan 8.270 nan 0.000 0.433 364 D N -1.437 119.016 120.400 0.087 0.000 2.367 364 D HA 0.119 4.759 4.640 0.001 0.000 0.207 364 D C 0.626 177.034 176.300 0.180 0.000 1.034 364 D CA 0.943 55.046 54.000 0.171 0.000 0.861 364 D CB 0.676 41.665 40.800 0.314 0.000 0.943 364 D HN 0.492 nan 8.370 nan 0.000 0.515 365 G N 1.018 109.920 108.800 0.170 0.000 2.246 365 G HA2 -0.186 3.775 3.960 0.001 0.000 0.273 365 G HA3 -0.186 3.775 3.960 0.001 0.000 0.273 365 G C -0.051 174.965 174.900 0.193 0.000 1.055 365 G CA 0.564 45.761 45.100 0.161 0.000 0.851 365 G HN 0.405 nan 8.290 nan 0.000 0.500 366 V N -0.157 119.877 119.914 0.200 0.000 2.969 366 V HA 0.744 4.864 4.120 0.001 0.000 0.304 366 V C -0.682 175.327 176.094 -0.143 0.000 1.192 366 V CA -1.145 61.101 62.300 -0.089 0.000 0.962 366 V CB 1.970 33.475 31.823 -0.531 0.000 1.045 366 V HN 0.384 nan 8.190 nan 0.000 0.428 367 I N 7.760 128.129 120.570 -0.334 0.000 2.406 367 I HA 0.495 4.665 4.170 0.001 0.000 0.290 367 I C -2.368 173.370 176.117 -0.631 0.000 0.999 367 I CA -2.122 58.856 61.300 -0.536 0.000 1.124 367 I CB 2.307 39.950 38.000 -0.594 0.000 1.289 367 I HN 0.479 nan 8.210 nan 0.000 0.441 368 P HA 0.156 nan 4.420 nan 0.000 0.272 368 P C -2.565 174.412 177.300 -0.538 0.000 1.240 368 P CA -1.361 61.300 63.100 -0.732 0.000 0.791 368 P CB -0.277 30.979 31.700 -0.740 0.000 0.978 369 P HA 0.041 nan 4.420 nan 0.000 0.276 369 P C -0.574 176.803 177.300 0.128 0.000 1.230 369 P CA 0.176 63.244 63.100 -0.053 0.000 0.776 369 P CB -0.008 31.680 31.700 -0.021 0.000 0.888 370 T N 4.621 119.296 114.554 0.201 0.000 2.761 370 T HA 0.145 4.496 4.350 0.001 0.000 0.287 370 T C 0.790 175.590 174.700 0.167 0.000 0.931 370 T CA -0.064 62.169 62.100 0.223 0.000 1.164 370 T CB -0.447 68.489 68.868 0.113 0.000 0.876 370 T HN 0.195 nan 8.240 nan 0.000 0.534 371 L N 4.193 125.498 121.223 0.136 0.000 2.461 371 L HA 0.121 4.461 4.340 0.001 0.000 0.272 371 L C 1.066 178.010 176.870 0.123 0.000 1.197 371 L CA -0.381 54.524 54.840 0.107 0.000 0.836 371 L CB 0.058 42.160 42.059 0.072 0.000 1.105 371 L HN 0.743 nan 8.230 nan 0.000 0.477 372 N N -0.022 118.744 118.700 0.110 0.000 2.863 372 N HA -0.290 4.450 4.740 0.001 0.000 0.245 372 N C -0.436 175.156 175.510 0.137 0.000 1.001 372 N CA 0.902 54.009 53.050 0.096 0.000 0.901 372 N CB -1.424 37.103 38.487 0.067 0.000 1.124 372 N HN 0.590 nan 8.380 nan 0.000 0.582 373 Y N 1.993 122.322 120.300 0.048 0.000 2.600 373 Y HA 0.246 4.797 4.550 0.001 0.000 0.351 373 Y C 1.309 177.236 175.900 0.046 0.000 1.042 373 Y CA 0.210 58.346 58.100 0.060 0.000 1.333 373 Y CB 0.141 38.651 38.460 0.084 0.000 1.172 373 Y HN 0.054 nan 8.280 nan 0.000 0.517 374 E N 1.580 121.635 120.200 -0.242 0.000 2.421 374 E HA 0.149 4.499 4.350 0.001 0.000 0.209 374 E C -0.365 176.079 176.600 -0.261 0.000 0.871 374 E CA 0.306 56.595 56.400 -0.185 0.000 1.064 374 E CB 0.865 30.521 29.700 -0.074 0.000 1.075 374 E HN 0.367 nan 8.360 nan 0.000 0.513 375 T N 3.054 117.410 114.554 -0.331 0.000 2.963 375 T HA 0.304 4.654 4.350 0.001 0.000 0.328 375 T C -2.781 171.740 174.700 -0.298 0.000 1.048 375 T CA -1.476 60.477 62.100 -0.244 0.000 1.033 375 T CB 1.675 70.471 68.868 -0.121 0.000 1.010 375 T HN -0.165 nan 8.240 nan 0.000 0.469 376 P HA 0.100 nan 4.420 nan 0.000 0.266 376 P C -0.406 176.889 177.300 -0.008 0.000 1.195 376 P CA -0.189 62.834 63.100 -0.129 0.000 0.768 376 P CB 0.523 32.213 31.700 -0.016 0.000 0.838 377 D N 3.934 124.384 120.400 0.083 0.000 2.274 377 D HA 0.126 4.766 4.640 0.001 0.000 0.239 377 D C -1.428 174.915 176.300 0.073 0.000 1.104 377 D CA -2.385 51.661 54.000 0.078 0.000 0.840 377 D CB 0.996 41.868 40.800 0.121 0.000 1.100 377 D HN 0.124 nan 8.370 nan 0.000 0.477 378 P HA -0.144 nan 4.420 nan 0.000 0.218 378 P C 0.671 177.996 177.300 0.041 0.000 1.146 378 P CA 0.930 64.052 63.100 0.037 0.000 0.813 378 P CB 0.543 32.258 31.700 0.025 0.000 0.778 379 E N -1.181 119.048 120.200 0.049 0.000 2.481 379 E HA 0.025 4.376 4.350 0.001 0.000 0.195 379 E C 1.871 178.507 176.600 0.061 0.000 1.047 379 E CA 0.231 56.659 56.400 0.047 0.000 0.867 379 E CB -0.153 29.573 29.700 0.044 0.000 0.858 379 E HN 0.298 nan 8.360 nan 0.000 0.513 380 I N 0.270 120.890 120.570 0.083 0.000 2.364 380 I HA -0.086 4.084 4.170 0.001 0.000 0.241 380 I C 0.519 176.652 176.117 0.026 0.000 1.082 380 I CA 0.495 61.849 61.300 0.089 0.000 1.401 380 I CB -0.836 37.267 38.000 0.171 0.000 1.126 380 I HN 0.035 nan 8.210 nan 0.000 0.429 381 D N 1.630 122.050 120.400 0.034 0.000 2.735 381 D HA -0.196 4.444 4.640 0.001 0.000 0.235 381 D C -0.532 175.749 176.300 -0.032 0.000 1.175 381 D CA 0.479 54.486 54.000 0.012 0.000 0.683 381 D CB -1.003 39.803 40.800 0.011 0.000 1.008 381 D HN 0.173 nan 8.370 nan 0.000 0.416 382 L N 0.135 121.314 121.223 -0.075 0.000 2.319 382 L HA 0.433 4.773 4.340 0.001 0.000 0.267 382 L C 0.564 177.369 176.870 -0.109 0.000 1.011 382 L CA -1.151 53.599 54.840 -0.150 0.000 0.818 382 L CB 1.471 43.316 42.059 -0.356 0.000 1.316 382 L HN -0.121 nan 8.230 nan 0.000 0.432 383 D N 1.666 122.008 120.400 -0.097 0.000 2.508 383 D HA 0.186 4.826 4.640 0.001 0.000 0.224 383 D C -0.680 175.555 176.300 -0.108 0.000 1.171 383 D CA -0.131 53.837 54.000 -0.055 0.000 1.006 383 D CB 0.313 41.104 40.800 -0.014 0.000 1.073 383 D HN 0.045 nan 8.370 nan 0.000 0.513 384 V N 3.946 123.751 119.914 -0.181 0.000 2.432 384 V HA 0.109 4.229 4.120 0.001 0.000 0.271 384 V C 0.693 176.687 176.094 -0.167 0.000 1.046 384 V CA -0.853 61.254 62.300 -0.320 0.000 0.945 384 V CB 1.413 32.717 31.823 -0.864 0.000 0.992 384 V HN 0.198 nan 8.190 nan 0.000 0.471 385 V N 5.210 125.075 119.914 -0.082 0.000 2.585 385 V HA 0.569 4.689 4.120 0.001 0.000 0.296 385 V C 0.591 176.689 176.094 0.006 0.000 1.035 385 V CA 0.649 62.934 62.300 -0.025 0.000 1.084 385 V CB 0.593 32.385 31.823 -0.053 0.000 0.953 385 V HN 1.114 nan 8.190 nan 0.000 0.483 386 A N 3.475 126.327 122.820 0.054 0.000 2.610 386 A HA 0.820 5.141 4.320 0.001 0.000 0.291 386 A C 0.724 178.357 177.584 0.081 0.000 1.086 386 A CA 0.194 52.301 52.037 0.116 0.000 0.677 386 A CB 1.264 20.439 19.000 0.292 0.000 1.278 386 A HN 1.827 nan 8.150 nan 0.000 0.414 387 G N 0.058 108.905 108.800 0.078 0.000 3.909 387 G HA2 -0.144 3.816 3.960 0.001 0.000 0.218 387 G HA3 -0.144 3.816 3.960 0.001 0.000 0.218 387 G C 0.187 175.100 174.900 0.023 0.000 1.404 387 G CA 1.448 46.578 45.100 0.051 0.000 0.905 387 G HN 2.101 nan 8.290 nan 0.000 0.589 388 E N 0.155 120.359 120.200 0.007 0.000 2.430 388 E HA 0.608 4.958 4.350 0.001 0.000 0.279 388 E C -3.353 173.211 176.600 -0.060 0.000 1.003 388 E CA -2.213 54.176 56.400 -0.018 0.000 0.801 388 E CB 1.986 31.692 29.700 0.011 0.000 1.313 388 E HN 0.189 nan 8.360 nan 0.000 0.459 389 P HA -0.010 nan 4.420 nan 0.000 0.265 389 P C -0.953 176.240 177.300 -0.180 0.000 1.187 389 P CA 0.018 62.965 63.100 -0.255 0.000 0.766 389 P CB 0.400 31.852 31.700 -0.413 0.000 0.820 390 R N 3.447 123.833 120.500 -0.190 0.000 2.215 390 R HA 0.261 4.602 4.340 0.001 0.000 0.336 390 R C -0.693 175.580 176.300 -0.044 0.000 0.996 390 R CA -0.550 55.528 56.100 -0.037 0.000 0.847 390 R CB 0.024 30.347 30.300 0.039 0.000 1.127 390 R HN 0.432 nan 8.270 nan 0.000 0.465 391 Y N 2.141 122.458 120.300 0.029 0.000 2.335 391 Y HA 0.446 4.996 4.550 -0.000 0.000 0.331 391 Y C 1.112 176.943 175.900 -0.115 0.000 1.094 391 Y CA 0.538 58.635 58.100 -0.005 0.000 1.253 391 Y CB 1.845 40.283 38.460 -0.037 0.000 1.203 391 Y HN 0.727 nan 8.280 nan 0.000 0.508 392 G N 1.481 110.116 108.800 -0.275 0.000 2.677 392 G HA2 0.229 4.190 3.960 0.001 0.000 0.291 392 G HA3 0.229 4.190 3.960 0.001 0.000 0.291 392 G C -1.787 172.517 174.900 -0.993 0.000 1.435 392 G CA -0.920 43.698 45.100 -0.803 0.000 0.826 392 G HN 0.411 nan 8.290 nan 0.000 0.491 393 D N 0.295 120.302 120.400 -0.655 0.000 2.713 393 D HA 0.260 4.900 4.640 0.001 0.000 0.229 393 D C -0.541 175.560 176.300 -0.333 0.000 1.136 393 D CA -0.277 53.496 54.000 -0.377 0.000 1.010 393 D CB -0.481 40.206 40.800 -0.188 0.000 1.084 393 D HN 0.185 nan 8.370 nan 0.000 0.495 394 Y N 1.073 121.360 120.300 -0.021 0.000 2.486 394 Y HA 0.268 4.817 4.550 -0.001 0.000 0.348 394 Y C 1.631 177.491 175.900 -0.065 0.000 1.000 394 Y CA -0.481 57.609 58.100 -0.017 0.000 1.253 394 Y CB 0.718 39.163 38.460 -0.025 0.000 1.140 394 Y HN 0.123 nan 8.280 nan 0.000 0.526 395 R N 1.610 122.116 120.500 0.010 0.000 2.123 395 R HA 0.154 4.494 4.340 0.001 0.000 0.209 395 R C -0.722 175.264 176.300 -0.523 0.000 1.078 395 R CA 0.598 56.517 56.100 -0.303 0.000 1.028 395 R CB 0.304 30.365 30.300 -0.398 0.000 0.939 395 R HN 0.491 nan 8.270 nan 0.000 0.463 396 Y N -0.720 119.670 120.300 0.150 0.000 2.524 396 Y HA 0.701 5.253 4.550 0.003 0.000 0.347 396 Y C -0.537 175.456 175.900 0.155 0.000 1.005 396 Y CA -1.417 56.766 58.100 0.138 0.000 1.025 396 Y CB 2.230 40.746 38.460 0.094 0.000 1.275 396 Y HN -0.032 nan 8.280 nan 0.000 0.460 397 A N 1.157 124.165 122.820 0.314 0.000 2.572 397 A HA 0.858 5.178 4.320 0.001 0.000 0.295 397 A C -1.979 175.702 177.584 0.162 0.000 1.072 397 A CA -0.772 51.392 52.037 0.212 0.000 0.691 397 A CB 1.361 20.520 19.000 0.264 0.000 1.291 397 A HN 0.469 nan 8.150 nan 0.000 0.404 398 V N 1.974 121.908 119.914 0.033 0.000 2.448 398 V HA 0.416 4.536 4.120 0.001 0.000 0.295 398 V C -0.295 175.780 176.094 -0.033 0.000 1.025 398 V CA -0.756 61.552 62.300 0.013 0.000 0.859 398 V CB 1.692 33.499 31.823 -0.027 0.000 0.988 398 V HN 0.888 nan 8.190 nan 0.000 0.431 399 N N 4.286 123.013 118.700 0.045 0.000 2.422 399 N HA 0.307 5.047 4.740 0.001 0.000 0.266 399 N C -0.640 174.807 175.510 -0.104 0.000 1.007 399 N CA -0.248 52.792 53.050 -0.017 0.000 0.941 399 N CB 0.769 39.314 38.487 0.095 0.000 1.115 399 N HN 0.624 nan 8.380 nan 0.000 0.492 400 N N 1.349 119.913 118.700 -0.227 0.000 2.456 400 N HA 0.310 5.051 4.740 0.001 0.000 0.288 400 N C -1.296 173.886 175.510 -0.546 0.000 1.059 400 N CA -0.230 52.522 53.050 -0.496 0.000 0.946 400 N CB 1.568 39.595 38.487 -0.767 0.000 1.150 400 N HN 0.389 nan 8.380 nan 0.000 0.479 401 S N 1.672 116.973 115.700 -0.665 0.000 2.776 401 S HA 0.518 4.988 4.470 0.001 0.000 0.284 401 S C -1.745 172.489 174.600 -0.610 0.000 1.160 401 S CA -0.536 57.341 58.200 -0.539 0.000 1.051 401 S CB -0.165 62.917 63.200 -0.196 0.000 1.037 401 S HN 0.279 nan 8.310 nan 0.000 0.485 402 F N 2.986 122.373 119.950 -0.939 0.000 2.451 402 F HA 0.481 5.008 4.527 -0.001 0.000 0.367 402 F C 0.969 176.378 175.800 -0.652 0.000 1.100 402 F CA -1.284 56.353 58.000 -0.606 0.000 1.171 402 F CB 0.906 39.670 39.000 -0.393 0.000 1.405 402 F HN 0.562 nan 8.300 nan 0.000 0.482 403 G N 0.882 109.583 108.800 -0.167 0.000 2.507 403 G HA2 0.363 4.324 3.960 0.001 0.000 0.271 403 G HA3 0.363 4.324 3.960 0.001 0.000 0.271 403 G C -0.499 174.423 174.900 0.036 0.000 1.189 403 G CA -0.460 44.581 45.100 -0.099 0.000 0.859 403 G HN 0.203 nan 8.290 nan 0.000 0.542 404 F N 0.488 120.580 119.950 0.237 0.000 2.623 404 F HA 0.328 4.856 4.527 0.001 0.000 0.383 404 F C 1.600 177.550 175.800 0.250 0.000 1.077 404 F CA 1.502 59.653 58.000 0.253 0.000 1.268 404 F CB 0.712 39.903 39.000 0.318 0.000 1.053 404 F HN 0.829 nan 8.300 nan 0.000 0.571 405 G N 1.031 110.033 108.800 0.337 0.000 2.184 405 G HA2 0.081 4.041 3.960 0.001 0.000 0.206 405 G HA3 0.081 4.041 3.960 0.001 0.000 0.206 405 G C 0.843 175.617 174.900 -0.211 0.000 0.995 405 G CA -0.054 45.101 45.100 0.092 0.000 0.651 405 G HN 1.825 nan 8.290 nan 0.000 0.511 406 G N -0.151 108.596 108.800 -0.088 0.000 2.198 406 G HA2 -0.234 3.726 3.960 0.001 0.000 0.257 406 G HA3 -0.234 3.726 3.960 0.001 0.000 0.257 406 G C 0.007 174.761 174.900 -0.244 0.000 1.042 406 G CA 0.587 45.609 45.100 -0.131 0.000 0.791 406 G HN 1.329 nan 8.290 nan 0.000 0.502 407 H N 0.872 119.977 119.070 0.058 0.000 2.782 407 H HA 0.272 4.828 4.556 0.000 0.000 0.285 407 H C 0.052 175.408 175.328 0.048 0.000 1.093 407 H CA -0.344 55.732 56.048 0.048 0.000 1.410 407 H CB 0.515 30.312 29.762 0.058 0.000 1.439 407 H HN 0.241 nan 8.280 nan 0.000 0.469 408 N N 3.377 122.155 118.700 0.130 0.000 2.444 408 N HA 0.211 4.951 4.740 0.001 0.000 0.262 408 N C -0.490 175.118 175.510 0.162 0.000 0.974 408 N CA -0.427 52.734 53.050 0.185 0.000 0.933 408 N CB 2.641 41.120 38.487 -0.012 0.000 1.137 408 N HN 0.212 nan 8.380 nan 0.000 0.498 409 V N 0.884 120.898 119.914 0.165 0.000 2.487 409 V HA 0.762 4.883 4.120 0.001 0.000 0.298 409 V C -0.246 175.860 176.094 0.021 0.000 1.028 409 V CA -0.931 61.396 62.300 0.046 0.000 0.860 409 V CB 1.529 33.343 31.823 -0.014 0.000 0.991 409 V HN 0.748 nan 8.190 nan 0.000 0.427 410 A N 5.882 128.697 122.820 -0.008 0.000 2.343 410 A HA 0.916 5.237 4.320 0.001 0.000 0.316 410 A C -1.078 176.423 177.584 -0.138 0.000 1.104 410 A CA -0.508 51.502 52.037 -0.045 0.000 0.768 410 A CB 1.047 20.055 19.000 0.013 0.000 1.213 410 A HN 0.793 nan 8.150 nan 0.000 0.456 411 L N 2.149 123.284 121.223 -0.147 0.000 2.313 411 L HA 0.682 5.022 4.340 0.001 0.000 0.283 411 L C 0.419 177.106 176.870 -0.304 0.000 1.013 411 L CA -0.605 54.052 54.840 -0.305 0.000 0.816 411 L CB 1.994 43.889 42.059 -0.272 0.000 1.236 411 L HN 0.787 nan 8.230 nan 0.000 0.419 412 A N 3.870 126.425 122.820 -0.443 0.000 2.260 412 A HA 0.770 5.091 4.320 0.001 0.000 0.308 412 A C -1.025 176.337 177.584 -0.371 0.000 1.254 412 A CA -0.165 51.711 52.037 -0.268 0.000 0.874 412 A CB 0.100 18.964 19.000 -0.226 0.000 1.153 412 A HN 0.510 nan 8.150 nan 0.000 0.527 413 F N 1.173 121.128 119.950 0.007 0.000 2.538 413 F HA 0.692 5.219 4.527 0.000 0.000 0.325 413 F C 0.853 176.747 175.800 0.156 0.000 1.066 413 F CA -0.231 57.801 58.000 0.053 0.000 0.946 413 F CB 2.706 41.724 39.000 0.030 0.000 1.199 413 F HN 0.698 nan 8.300 nan 0.000 0.473 414 G N 1.062 110.078 108.800 0.361 0.000 2.519 414 G HA2 0.536 4.496 3.960 0.001 0.000 0.307 414 G HA3 0.536 4.496 3.960 0.001 0.000 0.307 414 G C -1.600 173.381 174.900 0.135 0.000 1.266 414 G CA -1.070 44.178 45.100 0.246 0.000 0.970 414 G HN 0.651 nan 8.290 nan 0.000 0.481 415 R N 0.233 120.722 120.500 -0.019 0.000 2.590 415 R HA 0.251 4.591 4.340 0.001 0.000 0.274 415 R C -0.492 175.856 176.300 0.079 0.000 1.061 415 R CA -0.391 55.721 56.100 0.019 0.000 1.081 415 R CB 0.345 30.611 30.300 -0.056 0.000 0.984 415 R HN 0.635 nan 8.270 nan 0.000 0.448 416 Y N 0.000 120.304 120.300 0.007 0.000 2.660 416 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 416 Y CA 0.000 58.111 58.100 0.018 0.000 1.940 416 Y CB 0.000 38.475 38.460 0.026 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758