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 2g02_1_A DATA FIRST_RESID 7 DATA SEQUENCE KKNIKRNVEK IIAQWDERTR KXXXXXDFGE LTLSTGLPGI ILMLAELKNK DATA SEQUENCE DNSKIYQKKI DNYIEYIVSK LSTYGLLTGS LYSGAAGIAL SILHLREDDE DATA SEQUENCE KYKNLLDSLN RYIEYFVREK IEGFNLENIT PPDYDVIEGL SGILSYLLLI DATA SEQUENCE NDEQYDDLKI LIINFLSNLT KENNGLISLY IKSENQMSQS ESEMYPLGCL DATA SEQUENCE NMGLAHGLAG VGCILAYAHI KGYSNEASLS ALQKIIFIYE KFELERKKQF DATA SEQUENCE LWKDGLVADE LKKEKVIREA SFIRDAWCYG GPGISLLYLY GGLALDNDYF DATA SEQUENCE VDKAEKILES AMQRKLGIDS YMICHGYSGL IEICSLFKRL LNTKKFDSYM DATA SEQUENCE EEFNVNSEQI LEEYGDESGT GFLEGISGCI LVLSKFEYSI NFTYWRQALL DATA SEQUENCE LFDDFLKGG 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 7 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.603 176.600 0.005 0.000 0.988 7 K CA 0.000 56.288 56.287 0.002 0.000 0.838 7 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 8 K N 1.004 121.406 120.400 0.003 0.000 2.487 8 K HA -0.031 4.288 4.320 -0.003 0.000 0.192 8 K C 1.444 178.046 176.600 0.003 0.000 1.027 8 K CA 0.738 57.028 56.287 0.006 0.000 1.054 8 K CB -0.049 32.453 32.500 0.004 0.000 0.824 8 K HN 0.686 nan 8.250 nan 0.000 0.510 9 N N 1.053 119.750 118.700 -0.005 0.000 2.409 9 N HA -0.103 4.635 4.740 -0.003 0.000 0.179 9 N C 1.455 176.957 175.510 -0.013 0.000 1.032 9 N CA 0.860 53.904 53.050 -0.011 0.000 0.898 9 N CB 0.021 38.496 38.487 -0.021 0.000 0.971 9 N HN 0.210 nan 8.380 nan 0.000 0.441 10 I N 1.077 121.640 120.570 -0.011 0.000 2.226 10 I HA -0.256 3.912 4.170 -0.003 0.000 0.245 10 I C 2.700 178.818 176.117 0.001 0.000 1.100 10 I CA 1.177 62.468 61.300 -0.015 0.000 1.374 10 I CB -0.247 37.748 38.000 -0.008 0.000 1.057 10 I HN 0.212 nan 8.210 nan 0.000 0.413 11 K N 1.222 121.638 120.400 0.027 0.000 2.009 11 K HA -0.271 4.048 4.320 -0.003 0.000 0.210 11 K C 2.368 178.996 176.600 0.047 0.000 1.049 11 K CA 1.761 58.083 56.287 0.059 0.000 0.929 11 K CB -0.184 32.350 32.500 0.058 0.000 0.714 11 K HN 0.087 nan 8.250 nan 0.000 0.440 12 R N 0.467 120.982 120.500 0.025 0.000 2.083 12 R HA -0.146 4.193 4.340 -0.003 0.000 0.237 12 R C 2.025 178.333 176.300 0.013 0.000 1.137 12 R CA 1.970 58.081 56.100 0.019 0.000 0.951 12 R CB -0.227 30.078 30.300 0.008 0.000 0.851 12 R HN 0.350 nan 8.270 nan 0.000 0.434 13 N N -0.098 118.601 118.700 -0.002 0.000 2.142 13 N HA -0.136 4.603 4.740 -0.003 0.000 0.186 13 N C 1.846 177.346 175.510 -0.017 0.000 1.023 13 N CA 1.540 54.581 53.050 -0.016 0.000 0.852 13 N CB -0.081 38.383 38.487 -0.038 0.000 0.998 13 N HN 0.082 nan 8.380 nan 0.000 0.424 14 V N 1.846 121.745 119.914 -0.025 0.000 2.287 14 V HA -0.215 3.903 4.120 -0.003 0.000 0.248 14 V C 2.146 178.244 176.094 0.006 0.000 1.053 14 V CA 1.610 63.880 62.300 -0.050 0.000 1.027 14 V CB -0.524 31.231 31.823 -0.114 0.000 0.646 14 V HN 0.296 nan 8.190 nan 0.000 0.447 15 E N 0.101 120.330 120.200 0.048 0.000 2.160 15 E HA -0.279 4.069 4.350 -0.003 0.000 0.195 15 E C 2.246 178.882 176.600 0.060 0.000 0.991 15 E CA 1.643 58.089 56.400 0.076 0.000 0.810 15 E CB -0.113 29.630 29.700 0.072 0.000 0.742 15 E HN 0.753 nan 8.360 nan 0.000 0.466 16 K N 0.417 120.841 120.400 0.038 0.000 2.228 16 K HA -0.046 4.273 4.320 -0.003 0.000 0.202 16 K C 1.878 178.503 176.600 0.042 0.000 1.051 16 K CA 0.866 57.171 56.287 0.030 0.000 0.960 16 K CB -0.026 32.482 32.500 0.014 0.000 0.743 16 K HN 0.081 nan 8.250 nan 0.000 0.458 17 I N 1.422 122.028 120.570 0.060 0.000 2.315 17 I HA -0.208 3.960 4.170 -0.003 0.000 0.248 17 I C 2.283 178.531 176.117 0.219 0.000 1.117 17 I CA 1.042 62.418 61.300 0.127 0.000 1.404 17 I CB -0.180 37.886 38.000 0.109 0.000 1.071 17 I HN 0.124 nan 8.210 nan 0.000 0.419 18 I N 0.834 121.509 120.570 0.175 0.000 2.226 18 I HA -0.287 3.882 4.170 -0.003 0.000 0.245 18 I C 2.840 179.081 176.117 0.207 0.000 1.100 18 I CA 1.299 62.745 61.300 0.242 0.000 1.374 18 I CB -0.505 37.602 38.000 0.178 0.000 1.057 18 I HN 0.178 nan 8.210 nan 0.000 0.413 19 A N 0.437 123.326 122.820 0.115 0.000 1.883 19 A HA -0.294 4.025 4.320 -0.003 0.000 0.217 19 A C 2.262 179.857 177.584 0.018 0.000 1.186 19 A CA 1.856 53.931 52.037 0.063 0.000 0.624 19 A CB -0.735 18.284 19.000 0.032 0.000 0.822 19 A HN 0.491 nan 8.150 nan 0.000 0.444 20 Q N -1.927 117.854 119.800 -0.031 0.000 2.084 20 Q HA -0.222 4.117 4.340 -0.003 0.000 0.202 20 Q C 1.890 177.713 176.000 -0.295 0.000 0.978 20 Q CA 1.722 57.408 55.803 -0.193 0.000 0.844 20 Q CB -0.237 28.325 28.738 -0.293 0.000 0.898 20 Q HN 0.901 nan 8.270 nan 0.000 0.426 21 W N 0.647 121.892 121.300 -0.091 0.000 2.658 21 W HA -0.043 4.615 4.660 -0.003 0.000 0.263 21 W C 1.460 177.896 176.519 -0.138 0.000 1.274 21 W CA 0.202 57.416 57.345 -0.219 0.000 1.343 21 W CB 0.254 29.442 29.460 -0.452 0.000 1.106 21 W HN 0.116 nan 8.180 nan 0.000 0.615 22 D N 0.092 120.615 120.400 0.205 0.000 2.178 22 D HA -0.184 4.455 4.640 -0.003 0.000 0.202 22 D C 1.849 178.181 176.300 0.054 0.000 0.974 22 D CA 1.403 55.505 54.000 0.170 0.000 0.841 22 D CB -0.209 40.681 40.800 0.149 0.000 0.953 22 D HN 0.168 nan 8.370 nan 0.000 0.478 23 E N 0.842 121.038 120.200 -0.007 0.000 2.072 23 E HA -0.045 4.304 4.350 -0.003 0.000 0.190 23 E C 1.964 178.518 176.600 -0.075 0.000 0.982 23 E CA 0.940 57.314 56.400 -0.044 0.000 0.803 23 E CB 0.093 29.749 29.700 -0.074 0.000 0.755 23 E HN 0.088 nan 8.360 nan 0.000 0.453 24 R N -0.364 120.046 120.500 -0.150 0.000 2.092 24 R HA -0.034 4.304 4.340 -0.003 0.000 0.231 24 R C 1.752 177.972 176.300 -0.132 0.000 1.119 24 R CA 1.613 57.611 56.100 -0.170 0.000 0.970 24 R CB -0.512 29.582 30.300 -0.343 0.000 0.864 24 R HN 0.290 nan 8.270 nan 0.000 0.440 25 T N -0.096 114.326 114.554 -0.220 0.000 3.584 25 T HA 0.045 4.393 4.350 -0.003 0.000 0.252 25 T C 0.458 175.157 174.700 -0.002 0.000 1.103 25 T CA -0.062 61.771 62.100 -0.446 0.000 0.977 25 T CB -0.439 68.150 68.868 -0.465 0.000 1.044 25 T HN 0.366 nan 8.240 nan 0.000 0.589 26 R N -1.633 118.902 120.500 0.058 0.000 2.533 26 R HA 0.644 4.983 4.340 -0.003 0.000 0.268 26 R C -0.351 176.006 176.300 0.095 0.000 1.303 26 R CA -0.773 55.401 56.100 0.123 0.000 1.429 26 R CB -0.184 30.171 30.300 0.090 0.000 1.361 26 R HN 0.278 nan 8.270 nan 0.000 0.745 34 F N 3.460 123.369 119.950 -0.069 0.000 2.079 34 F HA -0.231 4.294 4.527 -0.003 0.000 0.296 34 F C 1.985 177.797 175.800 0.019 0.000 1.084 34 F CA 2.813 60.792 58.000 -0.034 0.000 1.236 34 F CB -0.099 38.888 39.000 -0.023 0.000 0.984 34 F HN 0.514 nan 8.300 nan 0.000 0.488 35 G N -0.567 108.441 108.800 0.347 0.000 2.469 35 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.220 35 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.220 35 G C 1.360 176.365 174.900 0.175 0.000 1.136 35 G CA 1.011 46.273 45.100 0.271 0.000 0.759 35 G HN 0.555 nan 8.290 nan 0.000 0.562 36 E N -0.413 119.896 120.200 0.181 0.000 2.265 36 E HA -0.059 4.289 4.350 -0.003 0.000 0.196 36 E C 1.567 178.198 176.600 0.052 0.000 0.996 36 E CA 0.367 56.904 56.400 0.229 0.000 0.832 36 E CB -0.039 29.856 29.700 0.326 0.000 0.756 36 E HN 0.351 nan 8.360 nan 0.000 0.491 37 L N 0.567 121.767 121.223 -0.038 0.000 2.667 37 L HA 0.059 4.398 4.340 -0.003 0.000 0.232 37 L C 0.864 177.641 176.870 -0.155 0.000 1.138 37 L CA 0.378 55.146 54.840 -0.120 0.000 0.921 37 L CB 0.279 42.231 42.059 -0.180 0.000 1.180 37 L HN -0.003 nan 8.230 nan 0.000 0.487 38 T N -4.056 110.441 114.554 -0.095 0.000 2.928 38 T HA 0.286 4.634 4.350 -0.003 0.000 0.284 38 T C 1.070 175.749 174.700 -0.034 0.000 1.008 38 T CA -0.595 61.477 62.100 -0.048 0.000 1.057 38 T CB 1.617 70.530 68.868 0.075 0.000 1.018 38 T HN -0.042 nan 8.240 nan 0.000 0.493 39 L N 2.299 123.495 121.223 -0.045 0.000 2.093 39 L HA 0.040 4.379 4.340 -0.003 0.000 0.208 39 L C 2.620 179.586 176.870 0.161 0.000 1.085 39 L CA 1.760 56.556 54.840 -0.074 0.000 0.755 39 L CB -1.284 40.590 42.059 -0.307 0.000 0.904 39 L HN 0.876 nan 8.230 nan 0.000 0.435 40 S N -0.788 115.098 115.700 0.309 0.000 2.369 40 S HA -0.216 4.253 4.470 -0.003 0.000 0.225 40 S C 1.585 176.344 174.600 0.265 0.000 1.043 40 S CA 2.279 60.709 58.200 0.383 0.000 1.074 40 S CB -0.490 62.901 63.200 0.319 0.000 0.962 40 S HN 0.794 nan 8.310 nan 0.000 0.433 41 T N -2.910 111.767 114.554 0.204 0.000 3.041 41 T HA 0.472 4.820 4.350 -0.003 0.000 0.276 41 T C 0.553 175.376 174.700 0.206 0.000 0.948 41 T CA 0.236 62.459 62.100 0.205 0.000 0.885 41 T CB 0.612 69.605 68.868 0.209 0.000 1.175 41 T HN 0.363 nan 8.240 nan 0.000 0.529 42 G N 0.782 109.624 108.800 0.070 0.000 2.971 42 G HA2 0.606 4.565 3.960 -0.003 0.000 0.235 42 G HA3 0.606 4.565 3.960 -0.003 0.000 0.235 42 G C 0.577 175.190 174.900 -0.479 0.000 1.351 42 G CA -0.883 44.147 45.100 -0.117 0.000 1.039 42 G HN 0.193 nan 8.290 nan 0.000 0.563 43 L N 0.498 121.320 121.223 -0.668 0.000 2.043 43 L HA -0.070 4.268 4.340 -0.003 0.000 0.212 43 L C -0.169 176.474 176.870 -0.379 0.000 1.075 43 L CA 1.462 55.879 54.840 -0.704 0.000 0.752 43 L CB -1.078 40.662 42.059 -0.531 0.000 0.891 43 L HN 0.319 nan 8.230 nan 0.000 0.432 44 P HA -0.210 nan 4.420 nan 0.000 0.216 44 P C 1.580 178.748 177.300 -0.220 0.000 1.157 44 P CA 2.037 65.017 63.100 -0.200 0.000 0.880 44 P CB -0.246 31.339 31.700 -0.193 0.000 0.791 45 G N -0.349 108.319 108.800 -0.220 0.000 2.418 45 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.217 45 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.217 45 G C 1.364 176.149 174.900 -0.193 0.000 1.158 45 G CA 0.564 45.557 45.100 -0.179 0.000 0.771 45 G HN 0.150 nan 8.290 nan 0.000 0.545 46 I N 0.958 121.353 120.570 -0.292 0.000 2.394 46 I HA -0.034 4.134 4.170 -0.003 0.000 0.251 46 I C 2.717 178.727 176.117 -0.179 0.000 1.136 46 I CA 0.557 61.677 61.300 -0.301 0.000 1.425 46 I CB -0.968 36.666 38.000 -0.610 0.000 1.079 46 I HN 0.191 nan 8.210 nan 0.000 0.425 47 I N 0.467 120.949 120.570 -0.146 0.000 2.179 47 I HA -0.293 3.876 4.170 -0.003 0.000 0.242 47 I C 2.583 178.649 176.117 -0.085 0.000 1.088 47 I CA 1.256 62.522 61.300 -0.056 0.000 1.357 47 I CB -0.240 37.747 38.000 -0.022 0.000 1.051 47 I HN 0.131 nan 8.210 nan 0.000 0.409 48 L N -0.184 120.960 121.223 -0.131 0.000 2.017 48 L HA -0.268 4.070 4.340 -0.003 0.000 0.208 48 L C 2.690 179.421 176.870 -0.231 0.000 1.073 48 L CA 1.523 56.262 54.840 -0.168 0.000 0.745 48 L CB -0.521 41.415 42.059 -0.204 0.000 0.894 48 L HN 0.352 nan 8.230 nan 0.000 0.432 49 M N -0.147 119.306 119.600 -0.244 0.000 2.080 49 M HA -0.260 4.218 4.480 -0.003 0.000 0.260 49 M C 2.285 178.436 176.300 -0.249 0.000 1.068 49 M CA 1.999 57.138 55.300 -0.268 0.000 1.109 49 M CB -0.142 32.323 32.600 -0.224 0.000 1.342 49 M HN 0.209 nan 8.290 nan 0.000 0.405 50 L N 0.204 121.283 121.223 -0.240 0.000 2.093 50 L HA -0.123 4.216 4.340 -0.003 0.000 0.208 50 L C 2.784 179.546 176.870 -0.179 0.000 1.085 50 L CA 1.049 55.705 54.840 -0.308 0.000 0.755 50 L CB -0.919 40.975 42.059 -0.275 0.000 0.904 50 L HN 0.437 nan 8.230 nan 0.000 0.435 51 A N -0.696 122.047 122.820 -0.127 0.000 1.969 51 A HA -0.143 4.176 4.320 -0.003 0.000 0.218 51 A C 2.031 179.568 177.584 -0.077 0.000 1.169 51 A CA 1.079 53.054 52.037 -0.103 0.000 0.635 51 A CB -0.243 18.674 19.000 -0.139 0.000 0.810 51 A HN 0.266 nan 8.150 nan 0.000 0.445 52 E N -0.327 119.844 120.200 -0.049 0.000 2.516 52 E HA 0.015 4.363 4.350 -0.003 0.000 0.199 52 E C 0.686 177.404 176.600 0.196 0.000 1.069 52 E CA 0.443 56.921 56.400 0.130 0.000 0.876 52 E CB -0.082 29.569 29.700 -0.082 0.000 0.843 52 E HN 0.654 nan 8.360 nan 0.000 0.530 53 L N 0.064 121.316 121.223 0.048 0.000 2.965 53 L HA 0.198 4.537 4.340 -0.003 0.000 0.254 53 L C 1.905 178.796 176.870 0.036 0.000 1.220 53 L CA -0.132 54.753 54.840 0.076 0.000 1.023 53 L CB 0.196 42.281 42.059 0.043 0.000 1.355 53 L HN -0.085 nan 8.230 nan 0.000 0.545 54 K N 1.555 121.830 120.400 -0.207 0.000 2.147 54 K HA -0.189 4.129 4.320 -0.003 0.000 0.205 54 K C 1.896 178.291 176.600 -0.342 0.000 1.049 54 K CA 1.828 57.852 56.287 -0.439 0.000 0.936 54 K CB 0.128 31.992 32.500 -1.060 0.000 0.722 54 K HN 0.466 nan 8.250 nan 0.000 0.446 55 N N 1.015 119.551 118.700 -0.273 0.000 2.381 55 N HA -0.138 4.600 4.740 -0.003 0.000 0.182 55 N C -0.143 175.259 175.510 -0.180 0.000 1.025 55 N CA 0.798 53.692 53.050 -0.260 0.000 0.888 55 N CB -0.146 38.014 38.487 -0.546 0.000 0.965 55 N HN 0.125 nan 8.380 nan 0.000 0.438 56 K N 0.859 121.194 120.400 -0.109 0.000 2.258 56 K HA 0.033 4.352 4.320 -0.003 0.000 0.264 56 K C 0.464 176.993 176.600 -0.118 0.000 1.007 56 K CA -0.424 55.824 56.287 -0.066 0.000 0.941 56 K CB 0.763 33.284 32.500 0.034 0.000 0.966 56 K HN -0.070 nan 8.250 nan 0.000 0.480 57 D N 1.137 121.468 120.400 -0.114 0.000 2.190 57 D HA -0.164 4.474 4.640 -0.003 0.000 0.200 57 D C 0.475 176.643 176.300 -0.219 0.000 0.992 57 D CA 1.408 55.325 54.000 -0.138 0.000 0.854 57 D CB 0.063 40.802 40.800 -0.103 0.000 0.936 57 D HN 0.385 nan 8.370 nan 0.000 0.462 58 N N 0.004 118.490 118.700 -0.357 0.000 2.320 58 N HA -0.006 4.732 4.740 -0.003 0.000 0.237 58 N C 1.392 176.400 175.510 -0.836 0.000 1.129 58 N CA 0.016 52.708 53.050 -0.596 0.000 0.854 58 N CB 0.570 38.628 38.487 -0.715 0.000 1.083 58 N HN 0.076 nan 8.380 nan 0.000 0.504 59 S N 0.845 116.271 115.700 -0.458 0.000 2.383 59 S HA -0.173 4.296 4.470 -0.003 0.000 0.229 59 S C 1.785 176.270 174.600 -0.191 0.000 1.030 59 S CA 0.715 58.765 58.200 -0.250 0.000 1.002 59 S CB 0.019 63.114 63.200 -0.175 0.000 0.829 59 S HN 0.165 nan 8.310 nan 0.000 0.467 60 K N 1.782 122.062 120.400 -0.199 0.000 2.015 60 K HA -0.119 4.199 4.320 -0.003 0.000 0.216 60 K C 2.186 178.707 176.600 -0.133 0.000 1.052 60 K CA 1.812 58.014 56.287 -0.142 0.000 0.937 60 K CB -1.051 31.369 32.500 -0.133 0.000 0.719 60 K HN 0.491 nan 8.250 nan 0.000 0.446 61 I N 0.292 120.741 120.570 -0.201 0.000 2.286 61 I HA -0.269 3.900 4.170 -0.003 0.000 0.248 61 I C 2.442 178.548 176.117 -0.017 0.000 1.115 61 I CA 1.170 62.389 61.300 -0.135 0.000 1.392 61 I CB -0.386 37.511 38.000 -0.173 0.000 1.065 61 I HN 0.037 nan 8.210 nan 0.000 0.418 62 Y N 0.584 120.829 120.300 -0.092 0.000 2.145 62 Y HA -0.269 4.279 4.550 -0.002 0.000 0.286 62 Y C 2.729 178.556 175.900 -0.122 0.000 1.145 62 Y CA 1.074 59.110 58.100 -0.106 0.000 1.148 62 Y CB -1.219 37.183 38.460 -0.097 0.000 0.981 62 Y HN 0.189 nan 8.280 nan 0.000 0.507 63 Q N 1.161 120.994 119.800 0.055 0.000 2.135 63 Q HA -0.206 4.132 4.340 -0.003 0.000 0.204 63 Q C 2.189 178.173 176.000 -0.026 0.000 0.981 63 Q CA 2.055 57.859 55.803 0.002 0.000 0.856 63 Q CB -0.250 28.482 28.738 -0.010 0.000 0.902 63 Q HN 0.328 nan 8.270 nan 0.000 0.425 64 K N -0.044 120.332 120.400 -0.040 0.000 2.032 64 K HA -0.147 4.172 4.320 -0.003 0.000 0.209 64 K C 1.739 178.250 176.600 -0.148 0.000 1.048 64 K CA 1.527 57.774 56.287 -0.066 0.000 0.927 64 K CB -0.030 32.436 32.500 -0.056 0.000 0.712 64 K HN -0.002 nan 8.250 nan 0.000 0.441 65 K N 0.422 120.693 120.400 -0.216 0.000 2.097 65 K HA -0.081 4.238 4.320 -0.003 0.000 0.206 65 K C 2.223 178.371 176.600 -0.754 0.000 1.049 65 K CA 1.439 57.392 56.287 -0.558 0.000 0.933 65 K CB -0.386 31.813 32.500 -0.502 0.000 0.717 65 K HN 0.281 nan 8.250 nan 0.000 0.442 66 I N 1.660 122.028 120.570 -0.337 0.000 2.142 66 I HA -0.283 3.886 4.170 -0.003 0.000 0.240 66 I C 1.846 177.919 176.117 -0.075 0.000 1.078 66 I CA 1.366 62.568 61.300 -0.164 0.000 1.343 66 I CB -0.276 37.695 38.000 -0.048 0.000 1.046 66 I HN 0.085 nan 8.210 nan 0.000 0.405 67 D N 0.776 121.154 120.400 -0.037 0.000 2.123 67 D HA -0.167 4.472 4.640 -0.003 0.000 0.196 67 D C 1.895 178.207 176.300 0.020 0.000 0.992 67 D CA 1.146 55.170 54.000 0.041 0.000 0.833 67 D CB -0.500 40.335 40.800 0.058 0.000 0.954 67 D HN 0.313 nan 8.370 nan 0.000 0.455 68 N N 0.263 118.925 118.700 -0.064 0.000 2.069 68 N HA -0.171 4.567 4.740 -0.003 0.000 0.191 68 N C 1.849 177.452 175.510 0.154 0.000 1.031 68 N CA 0.887 53.936 53.050 -0.001 0.000 0.852 68 N CB -0.641 37.796 38.487 -0.083 0.000 1.018 68 N HN 0.315 nan 8.380 nan 0.000 0.423 69 Y N 1.135 121.461 120.300 0.042 0.000 2.293 69 Y HA 0.053 4.602 4.550 -0.002 0.000 0.291 69 Y C 2.329 178.277 175.900 0.081 0.000 1.137 69 Y CA -0.124 57.993 58.100 0.028 0.000 1.202 69 Y CB -0.891 37.526 38.460 -0.072 0.000 0.990 69 Y HN 0.028 nan 8.280 nan 0.000 0.537 70 I N -0.270 120.425 120.570 0.209 0.000 2.179 70 I HA -0.250 3.919 4.170 -0.003 0.000 0.242 70 I C 2.330 178.533 176.117 0.144 0.000 1.088 70 I CA 1.325 62.716 61.300 0.152 0.000 1.357 70 I CB -0.319 37.769 38.000 0.146 0.000 1.051 70 I HN 0.027 nan 8.210 nan 0.000 0.409 71 E N 0.428 120.713 120.200 0.142 0.000 2.048 71 E HA -0.310 4.039 4.350 -0.003 0.000 0.202 71 E C 2.060 178.749 176.600 0.149 0.000 1.021 71 E CA 1.858 58.328 56.400 0.117 0.000 0.825 71 E CB -0.541 29.226 29.700 0.111 0.000 0.756 71 E HN 0.494 nan 8.360 nan 0.000 0.454 72 Y N 0.346 120.696 120.300 0.084 0.000 2.114 72 Y HA -0.238 4.311 4.550 -0.003 0.000 0.282 72 Y C 2.036 177.970 175.900 0.056 0.000 1.165 72 Y CA 1.865 60.016 58.100 0.085 0.000 1.148 72 Y CB -0.222 38.314 38.460 0.127 0.000 0.972 72 Y HN 0.056 nan 8.280 nan 0.000 0.504 73 I N -0.813 119.865 120.570 0.179 0.000 2.179 73 I HA -0.288 3.881 4.170 -0.003 0.000 0.242 73 I C 2.602 178.699 176.117 -0.035 0.000 1.088 73 I CA 1.560 62.890 61.300 0.049 0.000 1.357 73 I CB -0.626 37.407 38.000 0.055 0.000 1.051 73 I HN 0.305 nan 8.210 nan 0.000 0.409 74 V N -0.108 119.800 119.914 -0.010 0.000 2.490 74 V HA -0.216 3.902 4.120 -0.003 0.000 0.250 74 V C 2.472 178.528 176.094 -0.063 0.000 1.061 74 V CA 2.363 64.642 62.300 -0.035 0.000 1.064 74 V CB -0.463 31.350 31.823 -0.017 0.000 0.670 74 V HN 0.595 nan 8.190 nan 0.000 0.461 75 S N -1.119 114.534 115.700 -0.079 0.000 2.461 75 S HA -0.038 4.431 4.470 -0.003 0.000 0.228 75 S C 1.971 176.496 174.600 -0.126 0.000 1.005 75 S CA 0.609 58.749 58.200 -0.101 0.000 0.942 75 S CB -0.389 62.757 63.200 -0.089 0.000 0.776 75 S HN 0.598 nan 8.310 nan 0.000 0.514 76 K N 1.366 121.671 120.400 -0.159 0.000 2.103 76 K HA 0.220 4.539 4.320 -0.003 0.000 0.204 76 K C 2.049 178.666 176.600 0.028 0.000 1.052 76 K CA 0.731 56.987 56.287 -0.052 0.000 0.945 76 K CB -0.613 31.787 32.500 -0.167 0.000 0.722 76 K HN 0.429 nan 8.250 nan 0.000 0.443 77 L N 1.217 122.408 121.223 -0.053 0.000 2.027 77 L HA -0.132 4.207 4.340 -0.003 0.000 0.206 77 L C 2.240 179.062 176.870 -0.081 0.000 1.074 77 L CA 1.496 56.294 54.840 -0.070 0.000 0.745 77 L CB -0.574 41.425 42.059 -0.100 0.000 0.898 77 L HN 0.153 nan 8.230 nan 0.000 0.433 78 S N -2.404 113.242 115.700 -0.090 0.000 2.660 78 S HA -0.031 4.438 4.470 -0.003 0.000 0.223 78 S C 1.380 175.898 174.600 -0.137 0.000 0.963 78 S CA 0.823 58.963 58.200 -0.100 0.000 0.932 78 S CB -0.149 63.001 63.200 -0.083 0.000 0.775 78 S HN 0.328 nan 8.310 nan 0.000 0.531 79 T N 0.127 114.570 114.554 -0.186 0.000 3.151 79 T HA 0.244 4.592 4.350 -0.003 0.000 0.239 79 T C 0.677 175.139 174.700 -0.397 0.000 0.979 79 T CA 0.342 62.222 62.100 -0.367 0.000 1.194 79 T CB -0.268 68.235 68.868 -0.609 0.000 0.982 79 T HN 0.485 nan 8.240 nan 0.000 0.428 80 Y N 1.522 121.783 120.300 -0.065 0.000 2.462 80 Y HA 0.450 4.998 4.550 -0.002 0.000 0.261 80 Y C 1.708 177.577 175.900 -0.052 0.000 1.146 80 Y CA -0.066 58.008 58.100 -0.043 0.000 1.283 80 Y CB -0.254 38.188 38.460 -0.031 0.000 1.090 80 Y HN 0.446 nan 8.280 nan 0.000 0.526 81 G N 0.952 109.764 108.800 0.020 0.000 2.697 81 G HA2 -0.275 3.684 3.960 -0.003 0.000 0.240 81 G HA3 -0.275 3.684 3.960 -0.003 0.000 0.240 81 G C -0.979 173.862 174.900 -0.099 0.000 1.346 81 G CA -0.441 44.623 45.100 -0.060 0.000 0.887 81 G HN 0.161 nan 8.290 nan 0.000 0.569 82 L N -0.486 120.614 121.223 -0.205 0.000 2.354 82 L HA 0.603 4.942 4.340 -0.003 0.000 0.269 82 L C 1.003 177.825 176.870 -0.080 0.000 1.005 82 L CA -0.909 53.789 54.840 -0.236 0.000 0.819 82 L CB 2.011 43.771 42.059 -0.498 0.000 1.311 82 L HN 0.545 nan 8.230 nan 0.000 0.423 83 L N 0.558 121.815 121.223 0.058 0.000 2.638 83 L HA 0.243 4.582 4.340 -0.003 0.000 0.232 83 L C 0.380 177.385 176.870 0.225 0.000 1.099 83 L CA 0.438 55.406 54.840 0.214 0.000 0.883 83 L CB 0.894 43.125 42.059 0.285 0.000 1.136 83 L HN 0.560 nan 8.230 nan 0.000 0.492 84 T N -1.549 113.035 114.554 0.049 0.000 2.933 84 T HA 0.464 4.813 4.350 -0.003 0.000 0.305 84 T C 0.582 174.992 174.700 -0.485 0.000 1.092 84 T CA -0.202 61.724 62.100 -0.289 0.000 1.008 84 T CB 1.924 70.766 68.868 -0.045 0.000 1.102 84 T HN 0.080 nan 8.240 nan 0.000 0.469 85 G N 2.014 110.006 108.800 -1.347 0.000 3.042 85 G HA2 0.208 4.166 3.960 -0.003 0.000 0.212 85 G HA3 0.208 4.166 3.960 -0.003 0.000 0.212 85 G C 0.752 175.451 174.900 -0.336 0.000 1.166 85 G CA 0.341 45.015 45.100 -0.710 0.000 0.767 85 G HN 1.004 nan 8.290 nan 0.000 0.546 86 S N 0.017 115.561 115.700 -0.261 0.000 2.566 86 S HA 0.071 4.539 4.470 -0.003 0.000 0.280 86 S C 1.523 176.109 174.600 -0.023 0.000 1.343 86 S CA -0.342 57.838 58.200 -0.033 0.000 1.036 86 S CB 1.101 64.341 63.200 0.066 0.000 0.866 86 S HN 0.113 nan 8.310 nan 0.000 0.526 87 L N 2.300 123.550 121.223 0.045 0.000 1.990 87 L HA -0.063 4.276 4.340 -0.003 0.000 0.213 87 L C 1.866 178.671 176.870 -0.109 0.000 1.072 87 L CA 1.993 56.817 54.840 -0.026 0.000 0.755 87 L CB -1.129 40.978 42.059 0.081 0.000 0.889 87 L HN 0.869 nan 8.230 nan 0.000 0.432 88 Y N -2.004 118.326 120.300 0.051 0.000 2.503 88 Y HA 0.110 4.658 4.550 -0.002 0.000 0.278 88 Y C 2.387 178.326 175.900 0.065 0.000 1.111 88 Y CA 0.924 59.070 58.100 0.077 0.000 1.270 88 Y CB 0.259 38.801 38.460 0.136 0.000 1.063 88 Y HN 0.157 nan 8.280 nan 0.000 0.548 89 S N -1.573 114.229 115.700 0.171 0.000 2.549 89 S HA 0.322 4.791 4.470 -0.003 0.000 0.225 89 S C 0.961 175.537 174.600 -0.039 0.000 1.039 89 S CA 0.329 58.608 58.200 0.132 0.000 0.942 89 S CB 0.590 63.958 63.200 0.279 0.000 0.881 89 S HN 0.400 nan 8.310 nan 0.000 0.503 90 G N 0.412 109.167 108.800 -0.075 0.000 3.212 90 G HA2 0.630 4.589 3.960 -0.003 0.000 0.188 90 G HA3 0.630 4.589 3.960 -0.003 0.000 0.188 90 G C 0.925 175.721 174.900 -0.172 0.000 1.254 90 G CA 0.125 45.135 45.100 -0.151 0.000 0.957 90 G HN 0.170 nan 8.290 nan 0.000 0.596 91 A N -0.529 122.201 122.820 -0.150 0.000 1.908 91 A HA 0.178 4.497 4.320 -0.003 0.000 0.218 91 A C 2.689 180.119 177.584 -0.256 0.000 1.181 91 A CA 2.825 54.780 52.037 -0.137 0.000 0.627 91 A CB -1.025 18.002 19.000 0.044 0.000 0.818 91 A HN 1.383 nan 8.150 nan 0.000 0.445 92 A N -0.560 122.093 122.820 -0.278 0.000 1.902 92 A HA 0.095 4.413 4.320 -0.003 0.000 0.217 92 A C 2.395 179.678 177.584 -0.502 0.000 1.181 92 A CA 1.975 53.732 52.037 -0.467 0.000 0.623 92 A CB -1.324 17.546 19.000 -0.218 0.000 0.818 92 A HN 0.748 nan 8.150 nan 0.000 0.443 93 G N -0.293 108.313 108.800 -0.324 0.000 2.421 93 G HA2 -0.098 3.860 3.960 -0.003 0.000 0.217 93 G HA3 -0.098 3.860 3.960 -0.003 0.000 0.217 93 G C 1.503 176.234 174.900 -0.281 0.000 1.143 93 G CA 0.992 45.903 45.100 -0.314 0.000 0.784 93 G HN 0.482 nan 8.290 nan 0.000 0.541 94 I N 1.239 121.656 120.570 -0.255 0.000 2.202 94 I HA -0.122 4.047 4.170 -0.003 0.000 0.242 94 I C 3.277 179.268 176.117 -0.210 0.000 1.091 94 I CA 0.930 62.110 61.300 -0.200 0.000 1.368 94 I CB -0.207 37.693 38.000 -0.167 0.000 1.058 94 I HN 0.229 nan 8.210 nan 0.000 0.410 95 A N 0.813 123.439 122.820 -0.323 0.000 1.877 95 A HA -0.222 4.096 4.320 -0.003 0.000 0.216 95 A C 2.274 179.703 177.584 -0.259 0.000 1.186 95 A CA 1.551 53.379 52.037 -0.348 0.000 0.620 95 A CB -0.868 17.750 19.000 -0.637 0.000 0.822 95 A HN 0.384 nan 8.150 nan 0.000 0.443 96 L N 0.911 121.917 121.223 -0.361 0.000 2.042 96 L HA -0.174 4.164 4.340 -0.003 0.000 0.210 96 L C 2.742 179.634 176.870 0.037 0.000 1.076 96 L CA 2.784 57.598 54.840 -0.044 0.000 0.749 96 L CB -0.577 41.442 42.059 -0.066 0.000 0.893 96 L HN 0.516 nan 8.230 nan 0.000 0.432 97 S N -0.350 115.315 115.700 -0.058 0.000 2.442 97 S HA -0.159 4.309 4.470 -0.003 0.000 0.236 97 S C 1.728 176.382 174.600 0.090 0.000 1.007 97 S CA 1.208 59.401 58.200 -0.011 0.000 0.965 97 S CB -0.900 62.242 63.200 -0.096 0.000 0.773 97 S HN 0.671 nan 8.310 nan 0.000 0.504 98 I N -2.443 118.140 120.570 0.021 0.000 4.025 98 I HA 0.421 4.590 4.170 -0.003 0.000 0.336 98 I C 1.552 177.588 176.117 -0.135 0.000 1.390 98 I CA -0.371 60.866 61.300 -0.104 0.000 1.099 98 I CB 0.036 37.954 38.000 -0.137 0.000 1.049 98 I HN 0.122 nan 8.210 nan 0.000 0.394 99 L N 3.102 124.384 121.223 0.098 0.000 2.081 99 L HA -0.246 4.093 4.340 -0.003 0.000 0.212 99 L C 2.861 179.831 176.870 0.167 0.000 1.080 99 L CA 2.340 57.262 54.840 0.137 0.000 0.754 99 L CB -1.046 41.105 42.059 0.153 0.000 0.893 99 L HN 0.574 nan 8.230 nan 0.000 0.433 100 H N -1.455 117.768 119.070 0.256 0.000 2.518 100 H HA -0.117 4.438 4.556 -0.002 0.000 0.289 100 H C 1.875 177.233 175.328 0.050 0.000 1.051 100 H CA 1.407 57.583 56.048 0.214 0.000 1.280 100 H CB -0.549 29.282 29.762 0.114 0.000 1.380 100 H HN 0.453 nan 8.280 nan 0.000 0.566 101 L N 0.211 121.078 121.223 -0.593 0.000 2.529 101 L HA 0.093 4.431 4.340 -0.003 0.000 0.223 101 L C 2.884 179.613 176.870 -0.235 0.000 1.113 101 L CA 0.111 54.573 54.840 -0.630 0.000 0.861 101 L CB -0.190 41.115 42.059 -1.257 0.000 1.012 101 L HN 0.144 nan 8.230 nan 0.000 0.461 102 R N 1.047 121.505 120.500 -0.070 0.000 2.189 102 R HA -0.239 4.099 4.340 -0.003 0.000 0.252 102 R C 1.281 177.649 176.300 0.113 0.000 1.134 102 R CA 2.080 58.221 56.100 0.069 0.000 0.954 102 R CB -0.007 30.332 30.300 0.065 0.000 0.890 102 R HN 0.298 nan 8.270 nan 0.000 0.443 103 E N -0.100 120.154 120.200 0.090 0.000 2.437 103 E HA -0.023 4.325 4.350 -0.003 0.000 0.189 103 E C 0.272 176.935 176.600 0.105 0.000 1.054 103 E CA 0.230 56.684 56.400 0.090 0.000 0.874 103 E CB 0.510 30.254 29.700 0.074 0.000 1.011 103 E HN 0.447 nan 8.360 nan 0.000 0.474 104 D N 0.707 121.201 120.400 0.157 0.000 2.327 104 D HA 0.049 4.688 4.640 -0.003 0.000 0.205 104 D C 0.025 176.438 176.300 0.189 0.000 0.989 104 D CA 0.708 54.813 54.000 0.176 0.000 0.873 104 D CB 0.513 41.417 40.800 0.173 0.000 0.955 104 D HN 0.088 nan 8.370 nan 0.000 0.515 105 D N -1.703 118.817 120.400 0.200 0.000 2.722 105 D HA 0.034 4.673 4.640 -0.003 0.000 0.231 105 D C -0.033 176.259 176.300 -0.014 0.000 1.218 105 D CA -0.337 53.672 54.000 0.016 0.000 0.753 105 D CB 1.052 41.740 40.800 -0.187 0.000 1.471 105 D HN -0.290 nan 8.370 nan 0.000 0.455 106 E N 1.711 121.882 120.200 -0.049 0.000 2.204 106 E HA -0.158 4.190 4.350 -0.003 0.000 0.194 106 E C 1.643 178.197 176.600 -0.077 0.000 0.989 106 E CA 1.367 57.745 56.400 -0.035 0.000 0.824 106 E CB -0.264 29.420 29.700 -0.027 0.000 0.756 106 E HN 0.551 nan 8.360 nan 0.000 0.477 107 K N 0.510 120.795 120.400 -0.193 0.000 2.103 107 K HA -0.229 4.089 4.320 -0.003 0.000 0.207 107 K C 1.453 177.951 176.600 -0.170 0.000 1.048 107 K CA 1.511 57.660 56.287 -0.230 0.000 0.930 107 K CB -0.550 31.751 32.500 -0.333 0.000 0.716 107 K HN 0.136 nan 8.250 nan 0.000 0.444 108 Y N 1.597 121.886 120.300 -0.019 0.000 2.163 108 Y HA -0.025 4.523 4.550 -0.002 0.000 0.288 108 Y C 2.515 178.409 175.900 -0.011 0.000 1.136 108 Y CA 0.979 59.063 58.100 -0.026 0.000 1.147 108 Y CB -0.581 37.852 38.460 -0.046 0.000 0.987 108 Y HN 0.056 nan 8.280 nan 0.000 0.509 109 K N 0.328 120.816 120.400 0.147 0.000 2.063 109 K HA -0.201 4.117 4.320 -0.003 0.000 0.208 109 K C 1.706 178.347 176.600 0.068 0.000 1.048 109 K CA 1.655 57.999 56.287 0.095 0.000 0.928 109 K CB -0.101 32.443 32.500 0.072 0.000 0.713 109 K HN 0.261 nan 8.250 nan 0.000 0.442 110 N N 1.212 119.936 118.700 0.040 0.000 2.058 110 N HA -0.183 4.556 4.740 -0.003 0.000 0.191 110 N C 1.791 177.323 175.510 0.036 0.000 1.037 110 N CA 0.970 54.037 53.050 0.028 0.000 0.848 110 N CB -0.501 37.987 38.487 0.001 0.000 1.021 110 N HN 0.134 nan 8.380 nan 0.000 0.422 111 L N 1.419 122.663 121.223 0.034 0.000 2.013 111 L HA -0.092 4.247 4.340 -0.003 0.000 0.212 111 L C 2.049 178.947 176.870 0.047 0.000 1.073 111 L CA 1.379 56.240 54.840 0.035 0.000 0.753 111 L CB -0.736 41.350 42.059 0.044 0.000 0.890 111 L HN 0.122 nan 8.230 nan 0.000 0.432 112 L N -0.713 120.551 121.223 0.068 0.000 2.046 112 L HA -0.227 4.111 4.340 -0.003 0.000 0.208 112 L C 2.306 179.229 176.870 0.089 0.000 1.077 112 L CA 1.413 56.298 54.840 0.075 0.000 0.747 112 L CB -0.875 41.239 42.059 0.091 0.000 0.896 112 L HN 0.301 nan 8.230 nan 0.000 0.432 113 D N -0.460 119.995 120.400 0.092 0.000 2.123 113 D HA -0.149 4.490 4.640 -0.003 0.000 0.196 113 D C 2.388 178.755 176.300 0.112 0.000 0.992 113 D CA 1.450 55.518 54.000 0.113 0.000 0.833 113 D CB -0.086 40.770 40.800 0.095 0.000 0.954 113 D HN 0.185 nan 8.370 nan 0.000 0.455 114 S N 0.556 116.305 115.700 0.082 0.000 2.348 114 S HA -0.107 4.361 4.470 -0.003 0.000 0.221 114 S C 2.271 176.937 174.600 0.110 0.000 1.033 114 S CA 0.605 58.853 58.200 0.080 0.000 1.010 114 S CB -0.388 62.837 63.200 0.041 0.000 0.891 114 S HN 0.241 nan 8.310 nan 0.000 0.442 115 L N 1.783 123.054 121.223 0.079 0.000 2.043 115 L HA -0.209 4.129 4.340 -0.003 0.000 0.212 115 L C 2.245 179.189 176.870 0.124 0.000 1.075 115 L CA 1.084 55.974 54.840 0.083 0.000 0.752 115 L CB -0.780 41.275 42.059 -0.007 0.000 0.891 115 L HN 0.279 nan 8.230 nan 0.000 0.432 116 N N -0.325 118.442 118.700 0.112 0.000 2.142 116 N HA -0.129 4.609 4.740 -0.003 0.000 0.186 116 N C 1.951 177.556 175.510 0.158 0.000 1.023 116 N CA 0.953 54.053 53.050 0.083 0.000 0.852 116 N CB -0.262 38.243 38.487 0.030 0.000 0.998 116 N HN 0.151 nan 8.380 nan 0.000 0.424 117 R N 0.404 121.030 120.500 0.210 0.000 2.081 117 R HA -0.074 4.264 4.340 -0.003 0.000 0.235 117 R C 2.004 178.445 176.300 0.235 0.000 1.131 117 R CA 0.697 56.930 56.100 0.221 0.000 0.960 117 R CB -1.398 29.006 30.300 0.173 0.000 0.856 117 R HN 0.416 nan 8.270 nan 0.000 0.436 118 Y N 1.043 121.429 120.300 0.144 0.000 2.145 118 Y HA -0.140 4.409 4.550 -0.003 0.000 0.286 118 Y C 2.032 178.086 175.900 0.257 0.000 1.145 118 Y CA 1.304 59.522 58.100 0.196 0.000 1.148 118 Y CB -0.419 38.108 38.460 0.111 0.000 0.981 118 Y HN -0.066 nan 8.280 nan 0.000 0.507 119 I N 0.395 120.975 120.570 0.018 0.000 2.118 119 I HA -0.365 3.803 4.170 -0.003 0.000 0.241 119 I C 2.568 178.690 176.117 0.008 0.000 1.070 119 I CA 2.113 63.398 61.300 -0.026 0.000 1.327 119 I CB -0.544 37.477 38.000 0.034 0.000 1.034 119 I HN 0.317 nan 8.210 nan 0.000 0.405 120 E N 0.304 120.543 120.200 0.065 0.000 2.058 120 E HA -0.321 4.028 4.350 -0.003 0.000 0.194 120 E C 2.283 178.902 176.600 0.032 0.000 0.997 120 E CA 1.720 58.168 56.400 0.081 0.000 0.801 120 E CB -0.310 29.503 29.700 0.188 0.000 0.746 120 E HN 0.493 nan 8.360 nan 0.000 0.450 121 Y N 0.370 120.643 120.300 -0.044 0.000 2.081 121 Y HA -0.312 4.237 4.550 -0.002 0.000 0.280 121 Y C 1.955 177.770 175.900 -0.141 0.000 1.163 121 Y CA 2.247 60.303 58.100 -0.074 0.000 1.135 121 Y CB -0.858 37.578 38.460 -0.040 0.000 0.970 121 Y HN 0.238 nan 8.280 nan 0.000 0.498 122 F N -0.159 119.397 119.950 -0.656 0.000 2.134 122 F HA -0.166 4.360 4.527 -0.003 0.000 0.299 122 F C 2.079 177.608 175.800 -0.451 0.000 1.097 122 F CA 1.937 59.511 58.000 -0.709 0.000 1.264 122 F CB -0.744 37.839 39.000 -0.696 0.000 1.001 122 F HN -0.057 nan 8.300 nan 0.000 0.479 123 V N 1.062 120.792 119.914 -0.306 0.000 2.307 123 V HA -0.268 3.851 4.120 -0.003 0.000 0.245 123 V C 2.587 178.437 176.094 -0.406 0.000 1.045 123 V CA 2.276 64.381 62.300 -0.326 0.000 1.024 123 V CB -0.778 30.976 31.823 -0.115 0.000 0.651 123 V HN 0.336 nan 8.190 nan 0.000 0.449 124 R N 0.092 120.402 120.500 -0.317 0.000 2.096 124 R HA -0.227 4.112 4.340 -0.003 0.000 0.235 124 R C 2.272 178.370 176.300 -0.337 0.000 1.127 124 R CA 1.940 57.881 56.100 -0.264 0.000 0.968 124 R CB -0.179 30.034 30.300 -0.145 0.000 0.861 124 R HN 0.521 nan 8.270 nan 0.000 0.440 125 E N 0.542 120.442 120.200 -0.500 0.000 2.150 125 E HA -0.171 4.177 4.350 -0.003 0.000 0.193 125 E C 1.667 178.001 176.600 -0.442 0.000 0.985 125 E CA 1.365 57.474 56.400 -0.485 0.000 0.814 125 E CB 0.074 29.341 29.700 -0.721 0.000 0.752 125 E HN 0.120 nan 8.360 nan 0.000 0.466 126 K N -0.092 119.943 120.400 -0.608 0.000 2.103 126 K HA 0.071 4.390 4.320 -0.003 0.000 0.204 126 K C 1.899 178.283 176.600 -0.359 0.000 1.052 126 K CA 1.056 57.035 56.287 -0.512 0.000 0.945 126 K CB -0.174 31.896 32.500 -0.716 0.000 0.722 126 K HN 0.192 nan 8.250 nan 0.000 0.443 127 I N 0.583 120.880 120.570 -0.455 0.000 2.353 127 I HA -0.202 3.967 4.170 -0.003 0.000 0.248 127 I C 2.080 178.090 176.117 -0.178 0.000 1.119 127 I CA 0.892 61.890 61.300 -0.503 0.000 1.417 127 I CB -0.181 37.444 38.000 -0.625 0.000 1.078 127 I HN 0.210 nan 8.210 nan 0.000 0.421 128 E N 0.893 121.003 120.200 -0.150 0.000 2.058 128 E HA -0.170 4.178 4.350 -0.003 0.000 0.194 128 E C 2.069 178.669 176.600 0.001 0.000 0.997 128 E CA 1.552 57.918 56.400 -0.057 0.000 0.801 128 E CB -0.340 29.315 29.700 -0.074 0.000 0.746 128 E HN 0.510 nan 8.360 nan 0.000 0.450 129 G N 0.079 108.869 108.800 -0.017 0.000 3.088 129 G HA2 -0.061 3.897 3.960 -0.003 0.000 0.212 129 G HA3 -0.061 3.897 3.960 -0.003 0.000 0.212 129 G C 0.158 175.107 174.900 0.082 0.000 1.173 129 G CA -0.536 44.573 45.100 0.016 0.000 0.779 129 G HN 0.060 nan 8.290 nan 0.000 0.540 130 F N 2.061 121.997 119.950 -0.025 0.000 2.504 130 F HA 0.375 4.900 4.527 -0.003 0.000 0.369 130 F C -0.065 175.780 175.800 0.075 0.000 1.082 130 F CA -1.462 56.565 58.000 0.046 0.000 1.216 130 F CB 0.721 39.791 39.000 0.117 0.000 1.108 130 F HN -0.035 nan 8.300 nan 0.000 0.554 131 N N 6.763 125.107 118.700 -0.593 0.000 2.469 131 N HA 0.087 4.826 4.740 -0.003 0.000 0.253 131 N C 0.599 175.589 175.510 -0.867 0.000 0.970 131 N CA -0.447 52.268 53.050 -0.558 0.000 0.940 131 N CB 1.196 39.536 38.487 -0.246 0.000 1.128 131 N HN 0.849 nan 8.380 nan 0.000 0.503 132 L N 4.480 125.247 121.223 -0.761 0.000 2.083 132 L HA -0.067 4.271 4.340 -0.003 0.000 0.209 132 L C 1.110 177.870 176.870 -0.184 0.000 1.083 132 L CA 1.964 56.523 54.840 -0.469 0.000 0.752 132 L CB -0.296 41.691 42.059 -0.120 0.000 0.899 132 L HN 0.617 nan 8.230 nan 0.000 0.433 133 E N -1.725 118.390 120.200 -0.142 0.000 2.359 133 E HA 0.059 4.407 4.350 -0.003 0.000 0.187 133 E C 0.507 177.078 176.600 -0.048 0.000 1.081 133 E CA 0.205 56.571 56.400 -0.057 0.000 0.929 133 E CB -0.502 29.178 29.700 -0.032 0.000 1.086 133 E HN 0.334 nan 8.360 nan 0.000 0.462 134 N N 0.583 119.229 118.700 -0.091 0.000 2.238 134 N HA 0.182 4.920 4.740 -0.003 0.000 0.235 134 N C -0.535 174.989 175.510 0.023 0.000 1.209 134 N CA -0.360 52.667 53.050 -0.038 0.000 0.879 134 N CB 0.486 38.939 38.487 -0.057 0.000 1.136 134 N HN 0.307 nan 8.380 nan 0.000 0.517 135 I N 1.106 121.713 120.570 0.062 0.000 2.668 135 I HA -0.034 4.135 4.170 -0.003 0.000 0.285 135 I C -0.030 176.216 176.117 0.215 0.000 1.168 135 I CA 0.899 62.338 61.300 0.233 0.000 1.424 135 I CB 0.476 38.655 38.000 0.298 0.000 1.377 135 I HN -0.072 nan 8.210 nan 0.000 0.560 136 T N 6.971 121.678 114.554 0.255 0.000 2.909 136 T HA 0.476 4.825 4.350 -0.003 0.000 0.299 136 T C -2.105 172.663 174.700 0.113 0.000 1.073 136 T CA -1.679 60.516 62.100 0.159 0.000 0.999 136 T CB 1.961 70.886 68.868 0.095 0.000 1.098 136 T HN 0.328 nan 8.240 nan 0.000 0.477 137 P HA -0.009 nan 4.420 nan 0.000 0.216 137 P C -1.683 175.344 177.300 -0.455 0.000 1.150 137 P CA 1.109 63.953 63.100 -0.427 0.000 0.843 137 P CB -0.751 30.812 31.700 -0.229 0.000 0.787 138 P HA -0.144 nan 4.420 nan 0.000 0.226 138 P C 0.951 178.259 177.300 0.013 0.000 1.146 138 P CA 1.291 64.372 63.100 -0.031 0.000 0.773 138 P CB -0.461 31.266 31.700 0.046 0.000 0.772 139 D N -1.157 119.267 120.400 0.039 0.000 2.117 139 D HA -0.163 4.475 4.640 -0.003 0.000 0.197 139 D C 1.654 178.056 176.300 0.171 0.000 0.987 139 D CA 1.514 55.619 54.000 0.175 0.000 0.829 139 D CB -0.393 40.641 40.800 0.390 0.000 0.961 139 D HN 0.437 nan 8.370 nan 0.000 0.460 140 Y N -0.418 119.970 120.300 0.145 0.000 2.423 140 Y HA 0.215 4.764 4.550 -0.003 0.000 0.257 140 Y C 0.414 176.383 175.900 0.115 0.000 1.087 140 Y CA -0.763 57.414 58.100 0.128 0.000 1.258 140 Y CB -0.135 38.374 38.460 0.082 0.000 1.237 140 Y HN -0.247 nan 8.280 nan 0.000 0.517 141 D N 0.918 121.152 120.400 -0.276 0.000 2.447 141 D HA 0.022 4.661 4.640 -0.003 0.000 0.265 141 D C 1.239 177.554 176.300 0.024 0.000 1.250 141 D CA -0.257 53.655 54.000 -0.147 0.000 1.046 141 D CB 0.932 41.555 40.800 -0.296 0.000 1.095 141 D HN 0.006 nan 8.370 nan 0.000 0.555 142 V N -0.239 119.679 119.914 0.007 0.000 2.407 142 V HA -0.125 3.993 4.120 -0.003 0.000 0.245 142 V C 2.198 178.406 176.094 0.190 0.000 1.041 142 V CA 0.777 63.144 62.300 0.112 0.000 1.040 142 V CB -0.552 31.328 31.823 0.095 0.000 0.671 142 V HN 0.493 nan 8.190 nan 0.000 0.455 143 I N 0.196 120.801 120.570 0.058 0.000 2.133 143 I HA -0.105 4.063 4.170 -0.003 0.000 0.238 143 I C 2.278 178.540 176.117 0.241 0.000 1.074 143 I CA 1.706 63.065 61.300 0.098 0.000 1.342 143 I CB -0.992 36.978 38.000 -0.049 0.000 1.053 143 I HN 0.363 nan 8.210 nan 0.000 0.404 144 E N -0.126 120.175 120.200 0.167 0.000 2.485 144 E HA 0.235 4.583 4.350 -0.003 0.000 0.213 144 E C 1.128 177.821 176.600 0.156 0.000 0.923 144 E CA 0.206 56.706 56.400 0.167 0.000 1.054 144 E CB 0.689 30.479 29.700 0.151 0.000 1.077 144 E HN 0.376 nan 8.360 nan 0.000 0.509 145 G N 0.444 109.315 108.800 0.117 0.000 2.606 145 G HA2 0.353 4.311 3.960 -0.003 0.000 0.262 145 G HA3 0.353 4.311 3.960 -0.003 0.000 0.262 145 G C 0.894 175.884 174.900 0.151 0.000 1.394 145 G CA -0.543 44.629 45.100 0.119 0.000 1.044 145 G HN -0.005 nan 8.290 nan 0.000 0.553 146 L N -0.314 121.001 121.223 0.153 0.000 2.156 146 L HA -0.042 4.297 4.340 -0.003 0.000 0.208 146 L C 3.148 180.109 176.870 0.151 0.000 1.095 146 L CA 0.778 55.702 54.840 0.140 0.000 0.770 146 L CB -0.314 41.818 42.059 0.122 0.000 0.914 146 L HN 0.417 nan 8.230 nan 0.000 0.439 147 S N 0.382 116.187 115.700 0.175 0.000 2.353 147 S HA -0.160 4.308 4.470 -0.003 0.000 0.222 147 S C 2.039 176.752 174.600 0.187 0.000 1.035 147 S CA 1.495 59.802 58.200 0.179 0.000 1.025 147 S CB -0.571 62.741 63.200 0.188 0.000 0.902 147 S HN 0.605 nan 8.310 nan 0.000 0.440 148 G N 1.323 110.237 108.800 0.191 0.000 2.440 148 G HA2 -0.184 3.775 3.960 -0.003 0.000 0.218 148 G HA3 -0.184 3.775 3.960 -0.003 0.000 0.218 148 G C 1.363 176.373 174.900 0.185 0.000 1.154 148 G CA 0.868 46.098 45.100 0.217 0.000 0.767 148 G HN 0.482 nan 8.290 nan 0.000 0.552 149 I N -0.024 120.640 120.570 0.158 0.000 2.179 149 I HA -0.131 4.038 4.170 -0.003 0.000 0.242 149 I C 2.543 178.745 176.117 0.142 0.000 1.088 149 I CA 0.598 61.983 61.300 0.142 0.000 1.357 149 I CB -0.185 37.892 38.000 0.128 0.000 1.051 149 I HN 0.157 nan 8.210 nan 0.000 0.409 150 L N -0.029 121.260 121.223 0.110 0.000 2.131 150 L HA -0.211 4.127 4.340 -0.003 0.000 0.210 150 L C 2.596 179.517 176.870 0.084 0.000 1.092 150 L CA 1.782 56.655 54.840 0.055 0.000 0.759 150 L CB -0.699 41.388 42.059 0.048 0.000 0.903 150 L HN 0.183 nan 8.230 nan 0.000 0.435 151 S N -1.746 114.063 115.700 0.182 0.000 2.370 151 S HA -0.291 4.177 4.470 -0.003 0.000 0.226 151 S C 2.067 176.788 174.600 0.202 0.000 1.033 151 S CA 1.575 59.933 58.200 0.264 0.000 1.011 151 S CB -0.576 62.815 63.200 0.319 0.000 0.852 151 S HN 0.678 nan 8.310 nan 0.000 0.457 152 Y N 1.861 122.184 120.300 0.038 0.000 2.163 152 Y HA 0.034 4.583 4.550 -0.003 0.000 0.288 152 Y C 1.865 177.707 175.900 -0.097 0.000 1.136 152 Y CA 1.599 59.674 58.100 -0.041 0.000 1.147 152 Y CB -0.594 37.824 38.460 -0.070 0.000 0.987 152 Y HN 0.232 nan 8.280 nan 0.000 0.509 153 L N 0.008 121.045 121.223 -0.309 0.000 2.127 153 L HA -0.249 4.089 4.340 -0.003 0.000 0.211 153 L C 2.331 178.940 176.870 -0.434 0.000 1.089 153 L CA 1.202 55.753 54.840 -0.482 0.000 0.757 153 L CB -0.647 41.254 42.059 -0.264 0.000 0.899 153 L HN 0.303 nan 8.230 nan 0.000 0.434 154 L N -0.494 120.550 121.223 -0.298 0.000 2.549 154 L HA -0.145 4.194 4.340 -0.003 0.000 0.229 154 L C 2.104 178.819 176.870 -0.257 0.000 1.158 154 L CA 0.464 55.125 54.840 -0.298 0.000 0.842 154 L CB -0.169 41.695 42.059 -0.325 0.000 0.952 154 L HN 0.325 nan 8.230 nan 0.000 0.452 155 L N -0.481 120.557 121.223 -0.309 0.000 2.492 155 L HA 0.056 4.394 4.340 -0.003 0.000 0.223 155 L C 0.737 177.401 176.870 -0.344 0.000 1.132 155 L CA 0.218 54.861 54.840 -0.329 0.000 0.850 155 L CB 0.146 41.920 42.059 -0.476 0.000 0.966 155 L HN 0.155 nan 8.230 nan 0.000 0.454 156 I N -0.032 120.318 120.570 -0.367 0.000 2.325 156 I HA 0.048 4.216 4.170 -0.003 0.000 0.291 156 I C 0.590 176.645 176.117 -0.104 0.000 1.019 156 I CA 0.055 61.205 61.300 -0.250 0.000 1.302 156 I CB 1.311 39.123 38.000 -0.313 0.000 1.401 156 I HN 0.085 nan 8.210 nan 0.000 0.485 157 N N 2.784 121.457 118.700 -0.045 0.000 2.415 157 N HA -0.075 4.663 4.740 -0.003 0.000 0.176 157 N C 0.229 175.763 175.510 0.040 0.000 1.042 157 N CA -0.059 52.992 53.050 0.001 0.000 0.902 157 N CB 0.156 38.637 38.487 -0.011 0.000 0.986 157 N HN 0.578 nan 8.380 nan 0.000 0.447 158 D N 2.017 122.452 120.400 0.059 0.000 2.772 158 D HA -0.156 4.482 4.640 -0.003 0.000 0.227 158 D C 1.010 177.340 176.300 0.049 0.000 1.114 158 D CA 0.395 54.432 54.000 0.062 0.000 0.832 158 D CB 0.521 41.389 40.800 0.113 0.000 1.154 158 D HN 0.444 nan 8.370 nan 0.000 0.514 159 E N 2.563 122.763 120.200 0.001 0.000 2.338 159 E HA -0.269 4.080 4.350 -0.003 0.000 0.197 159 E C 1.505 178.067 176.600 -0.063 0.000 1.007 159 E CA 0.750 57.151 56.400 0.002 0.000 0.849 159 E CB -0.240 29.456 29.700 -0.006 0.000 0.774 159 E HN 0.723 nan 8.360 nan 0.000 0.506 160 Q N -0.096 119.592 119.800 -0.187 0.000 2.368 160 Q HA -0.189 4.150 4.340 -0.003 0.000 0.210 160 Q C 0.644 176.373 176.000 -0.450 0.000 0.982 160 Q CA 1.324 56.921 55.803 -0.344 0.000 0.884 160 Q CB -0.470 27.988 28.738 -0.466 0.000 0.933 160 Q HN 0.465 nan 8.270 nan 0.000 0.460 161 Y N 0.856 121.134 120.300 -0.037 0.000 2.468 161 Y HA 0.131 4.679 4.550 -0.002 0.000 0.268 161 Y C 0.986 176.827 175.900 -0.098 0.000 1.177 161 Y CA -0.285 57.773 58.100 -0.070 0.000 1.265 161 Y CB 0.258 38.658 38.460 -0.101 0.000 1.103 161 Y HN 0.117 nan 8.280 nan 0.000 0.522 162 D N 0.585 121.009 120.400 0.039 0.000 2.104 162 D HA -0.191 4.448 4.640 -0.003 0.000 0.194 162 D C 1.577 177.898 176.300 0.034 0.000 0.994 162 D CA 1.655 55.698 54.000 0.072 0.000 0.830 162 D CB -0.107 40.780 40.800 0.145 0.000 0.959 162 D HN 0.315 nan 8.370 nan 0.000 0.452 163 D N 0.146 120.558 120.400 0.020 0.000 2.117 163 D HA -0.130 4.509 4.640 -0.003 0.000 0.197 163 D C 2.240 178.541 176.300 0.002 0.000 0.987 163 D CA 0.377 54.385 54.000 0.013 0.000 0.829 163 D CB -0.321 40.480 40.800 0.002 0.000 0.961 163 D HN 0.131 nan 8.370 nan 0.000 0.460 164 L N 1.568 122.796 121.223 0.009 0.000 2.012 164 L HA -0.186 4.152 4.340 -0.003 0.000 0.210 164 L C 1.976 178.819 176.870 -0.044 0.000 1.073 164 L CA 1.846 56.687 54.840 0.003 0.000 0.748 164 L CB -0.432 41.669 42.059 0.070 0.000 0.891 164 L HN -0.157 nan 8.230 nan 0.000 0.431 165 K N -0.481 119.858 120.400 -0.102 0.000 2.063 165 K HA -0.139 4.179 4.320 -0.003 0.000 0.208 165 K C 2.035 178.565 176.600 -0.117 0.000 1.048 165 K CA 2.099 58.257 56.287 -0.214 0.000 0.928 165 K CB -0.316 31.848 32.500 -0.559 0.000 0.713 165 K HN 0.390 nan 8.250 nan 0.000 0.442 166 I N 0.599 121.143 120.570 -0.044 0.000 2.617 166 I HA -0.181 3.987 4.170 -0.003 0.000 0.256 166 I C 2.070 178.202 176.117 0.024 0.000 1.167 166 I CA 0.264 61.577 61.300 0.022 0.000 1.469 166 I CB -0.011 38.025 38.000 0.061 0.000 1.098 166 I HN 0.099 nan 8.210 nan 0.000 0.436 167 L N 0.937 122.164 121.223 0.006 0.000 2.056 167 L HA -0.148 4.190 4.340 -0.003 0.000 0.207 167 L C 2.301 179.190 176.870 0.032 0.000 1.078 167 L CA 1.951 56.797 54.840 0.009 0.000 0.749 167 L CB -0.285 41.759 42.059 -0.025 0.000 0.901 167 L HN 0.108 nan 8.230 nan 0.000 0.433 168 I N -0.885 119.691 120.570 0.010 0.000 2.202 168 I HA -0.283 3.885 4.170 -0.003 0.000 0.242 168 I C 2.411 178.595 176.117 0.111 0.000 1.091 168 I CA 1.403 62.730 61.300 0.047 0.000 1.368 168 I CB -0.260 37.742 38.000 0.004 0.000 1.058 168 I HN 0.224 nan 8.210 nan 0.000 0.410 169 I N 1.067 121.672 120.570 0.059 0.000 2.163 169 I HA -0.340 3.829 4.170 -0.003 0.000 0.243 169 I C 2.264 178.422 176.117 0.069 0.000 1.085 169 I CA 1.482 62.818 61.300 0.060 0.000 1.347 169 I CB -0.493 37.534 38.000 0.044 0.000 1.044 169 I HN 0.307 nan 8.210 nan 0.000 0.408 170 N N 0.501 119.246 118.700 0.074 0.000 2.120 170 N HA -0.223 4.515 4.740 -0.003 0.000 0.188 170 N C 1.765 177.321 175.510 0.076 0.000 1.024 170 N CA 1.370 54.459 53.050 0.066 0.000 0.852 170 N CB -0.601 37.926 38.487 0.066 0.000 1.003 170 N HN 0.293 nan 8.380 nan 0.000 0.424 171 F N 1.829 121.755 119.950 -0.040 0.000 2.075 171 F HA -0.069 4.456 4.527 -0.002 0.000 0.297 171 F C 2.092 177.847 175.800 -0.075 0.000 1.113 171 F CA 1.125 59.081 58.000 -0.072 0.000 1.218 171 F CB -0.420 38.511 39.000 -0.115 0.000 0.984 171 F HN -0.078 nan 8.300 nan 0.000 0.472 172 L N -0.542 120.678 121.223 -0.006 0.000 2.042 172 L HA -0.265 4.073 4.340 -0.003 0.000 0.210 172 L C 2.548 179.336 176.870 -0.137 0.000 1.076 172 L CA 1.540 56.321 54.840 -0.098 0.000 0.749 172 L CB -1.135 40.953 42.059 0.049 0.000 0.893 172 L HN 0.103 nan 8.230 nan 0.000 0.432 173 S N 0.012 115.672 115.700 -0.067 0.000 2.353 173 S HA -0.238 4.231 4.470 -0.003 0.000 0.222 173 S C 1.749 176.295 174.600 -0.090 0.000 1.035 173 S CA 1.888 60.056 58.200 -0.054 0.000 1.025 173 S CB -0.565 62.625 63.200 -0.017 0.000 0.902 173 S HN 0.453 nan 8.310 nan 0.000 0.440 174 N N 1.237 119.870 118.700 -0.112 0.000 2.184 174 N HA -0.091 4.648 4.740 -0.003 0.000 0.190 174 N C 1.360 176.768 175.510 -0.170 0.000 1.011 174 N CA 1.002 53.976 53.050 -0.126 0.000 0.867 174 N CB -0.378 38.030 38.487 -0.131 0.000 0.993 174 N HN 0.363 nan 8.380 nan 0.000 0.433 175 L N -0.580 120.484 121.223 -0.265 0.000 2.465 175 L HA -0.033 4.306 4.340 -0.003 0.000 0.224 175 L C 1.797 178.568 176.870 -0.164 0.000 1.145 175 L CA 1.206 55.892 54.840 -0.257 0.000 0.834 175 L CB -0.594 41.235 42.059 -0.384 0.000 0.944 175 L HN 0.431 nan 8.230 nan 0.000 0.451 176 T N -4.473 110.008 114.554 -0.120 0.000 3.107 176 T HA 0.067 4.415 4.350 -0.003 0.000 0.249 176 T C 0.967 175.640 174.700 -0.045 0.000 1.096 176 T CA -0.344 61.713 62.100 -0.071 0.000 1.012 176 T CB 0.098 68.940 68.868 -0.044 0.000 0.977 176 T HN -0.079 nan 8.240 nan 0.000 0.527 177 K N 2.306 122.675 120.400 -0.052 0.000 2.319 177 K HA 0.450 4.769 4.320 -0.003 0.000 0.265 177 K C 0.615 177.198 176.600 -0.027 0.000 1.000 177 K CA 0.297 56.562 56.287 -0.036 0.000 0.943 177 K CB 0.235 32.713 32.500 -0.036 0.000 0.950 177 K HN 0.638 nan 8.250 nan 0.000 0.485 178 E N 1.412 121.600 120.200 -0.021 0.000 2.373 178 E HA 0.018 4.366 4.350 -0.003 0.000 0.267 178 E C 0.322 176.910 176.600 -0.020 0.000 1.032 178 E CA -0.094 56.295 56.400 -0.018 0.000 0.889 178 E CB 0.658 30.349 29.700 -0.015 0.000 0.984 178 E HN 0.741 nan 8.360 nan 0.000 0.425 179 N N 0.408 119.093 118.700 -0.025 0.000 3.153 179 N HA -0.010 4.728 4.740 -0.003 0.000 0.177 179 N C 1.060 176.550 175.510 -0.033 0.000 1.389 179 N CA 0.462 53.498 53.050 -0.024 0.000 1.117 179 N CB 0.242 38.719 38.487 -0.016 0.000 1.201 179 N HN 0.624 nan 8.380 nan 0.000 0.503 180 N N 0.461 119.133 118.700 -0.046 0.000 2.874 180 N HA 0.311 5.050 4.740 -0.003 0.000 0.316 180 N C 0.967 176.441 175.510 -0.059 0.000 1.205 180 N CA 0.933 53.950 53.050 -0.054 0.000 1.180 180 N CB -1.236 nan 38.487 nan 0.000 1.450 180 N HN 0.735 nan 8.380 nan 0.000 0.528 181 G N -1.588 107.187 108.800 -0.041 0.000 4.951 181 G HA2 0.177 4.136 3.960 -0.003 0.000 0.295 181 G HA3 0.177 4.136 3.960 -0.003 0.000 0.295 181 G C 0.450 175.329 174.900 -0.035 0.000 1.540 181 G CA 0.751 45.829 45.100 -0.036 0.000 1.044 181 G HN 1.893 nan 8.290 nan 0.000 0.731 182 L N -0.483 120.712 121.223 -0.047 0.000 2.401 182 L HA 0.982 5.321 4.340 -0.003 0.000 0.266 182 L C 0.908 177.737 176.870 -0.069 0.000 0.991 182 L CA 0.091 54.908 54.840 -0.039 0.000 0.818 182 L CB 1.259 43.309 42.059 -0.015 0.000 1.321 182 L HN 1.153 nan 8.230 nan 0.000 0.413 183 I N -1.045 119.498 120.570 -0.044 0.000 3.959 183 I HA -0.094 4.074 4.170 -0.003 0.000 0.269 183 I C 2.073 178.202 176.117 0.021 0.000 1.063 183 I CA 0.987 62.261 61.300 -0.043 0.000 1.388 183 I CB -0.075 37.860 38.000 -0.107 0.000 2.070 183 I HN 0.747 nan 8.210 nan 0.000 0.413 184 S N 0.993 116.695 115.700 0.003 0.000 2.337 184 S HA -0.429 4.039 4.470 -0.003 0.000 0.399 184 S C 1.790 176.395 174.600 0.008 0.000 1.134 184 S CA 3.482 61.682 58.200 -0.000 0.000 2.090 184 S CB -1.195 61.981 63.200 -0.039 0.000 1.665 184 S HN 0.568 nan 8.310 nan 0.000 0.502 185 L N 0.709 121.897 121.223 -0.059 0.000 2.700 185 L HA 0.332 4.671 4.340 -0.003 0.000 0.240 185 L C 0.858 177.697 176.870 -0.052 0.000 1.162 185 L CA 1.365 56.108 54.840 -0.162 0.000 0.874 185 L CB -1.981 39.875 42.059 -0.338 0.000 1.001 185 L HN 0.557 nan 8.230 nan 0.000 0.447 186 Y N 1.001 121.254 120.300 -0.079 0.000 2.511 186 Y HA 0.458 5.006 4.550 -0.003 0.000 0.332 186 Y C 0.458 176.349 175.900 -0.014 0.000 1.177 186 Y CA -0.599 57.468 58.100 -0.055 0.000 1.422 186 Y CB 0.550 38.979 38.460 -0.051 0.000 1.271 186 Y HN 0.213 nan 8.280 nan 0.000 0.550 187 I N 6.160 126.518 120.570 -0.353 0.000 2.355 187 I HA 0.261 4.430 4.170 -0.003 0.000 0.288 187 I C 0.405 176.415 176.117 -0.177 0.000 0.999 187 I CA -0.856 60.349 61.300 -0.158 0.000 1.163 187 I CB 0.314 38.233 38.000 -0.134 0.000 1.316 187 I HN 0.694 nan 8.210 nan 0.000 0.454 188 K N 3.187 123.616 120.400 0.049 0.000 2.336 188 K HA 0.139 4.458 4.320 -0.003 0.000 0.262 188 K C 1.267 177.889 176.600 0.038 0.000 0.992 188 K CA 0.411 56.757 56.287 0.100 0.000 0.927 188 K CB 0.179 32.746 32.500 0.111 0.000 0.956 188 K HN 0.684 nan 8.250 nan 0.000 0.495 189 S N 0.442 116.181 115.700 0.064 0.000 2.383 189 S HA -0.162 4.306 4.470 -0.003 0.000 0.229 189 S C 1.702 176.329 174.600 0.045 0.000 1.030 189 S CA 2.012 60.247 58.200 0.060 0.000 1.002 189 S CB -0.195 63.050 63.200 0.075 0.000 0.829 189 S HN 0.836 nan 8.310 nan 0.000 0.467 190 E N 0.244 120.468 120.200 0.041 0.000 2.427 190 E HA -0.020 4.329 4.350 -0.003 0.000 0.196 190 E C 0.653 177.269 176.600 0.027 0.000 1.028 190 E CA 0.540 56.959 56.400 0.031 0.000 0.864 190 E CB -0.429 29.288 29.700 0.029 0.000 0.813 190 E HN 0.447 nan 8.360 nan 0.000 0.514 191 N N 1.118 119.835 118.700 0.029 0.000 2.280 191 N HA 0.023 4.761 4.740 -0.003 0.000 0.192 191 N C 0.096 175.616 175.510 0.017 0.000 1.109 191 N CA 0.115 53.183 53.050 0.029 0.000 0.855 191 N CB 0.350 38.863 38.487 0.043 0.000 0.974 191 N HN 0.197 nan 8.380 nan 0.000 0.482 192 Q N 0.196 120.003 119.800 0.011 0.000 2.421 192 Q HA 0.110 4.448 4.340 -0.003 0.000 0.255 192 Q C 1.356 177.352 176.000 -0.007 0.000 1.013 192 Q CA 0.172 55.977 55.803 0.003 0.000 0.895 192 Q CB 1.019 29.778 28.738 0.035 0.000 1.271 192 Q HN 0.189 nan 8.270 nan 0.000 0.460 193 M N 0.212 119.791 119.600 -0.035 0.000 2.296 193 M HA -0.118 4.361 4.480 -0.003 0.000 0.265 193 M C 0.686 176.968 176.300 -0.031 0.000 1.064 193 M CA 1.009 56.278 55.300 -0.053 0.000 1.109 193 M CB 0.194 32.719 32.600 -0.125 0.000 1.396 193 M HN 0.633 nan 8.290 nan 0.000 0.430 194 S N -1.953 113.734 115.700 -0.020 0.000 2.595 194 S HA 0.315 4.784 4.470 -0.003 0.000 0.281 194 S C 0.401 174.997 174.600 -0.007 0.000 1.117 194 S CA -1.060 57.131 58.200 -0.015 0.000 0.873 194 S CB 1.771 64.958 63.200 -0.021 0.000 1.108 194 S HN 0.123 nan 8.310 nan 0.000 0.477 195 Q N 1.556 121.350 119.800 -0.009 0.000 2.062 195 Q HA -0.157 4.181 4.340 -0.003 0.000 0.209 195 Q C 2.412 178.405 176.000 -0.013 0.000 0.996 195 Q CA 2.536 58.335 55.803 -0.008 0.000 0.859 195 Q CB -0.802 27.930 28.738 -0.010 0.000 0.920 195 Q HN 0.984 nan 8.270 nan 0.000 0.415 196 S N 0.105 115.791 115.700 -0.023 0.000 2.423 196 S HA -0.124 4.345 4.470 -0.003 0.000 0.231 196 S C 1.655 176.228 174.600 -0.046 0.000 1.014 196 S CA 1.022 59.199 58.200 -0.039 0.000 0.965 196 S CB -0.166 63.003 63.200 -0.051 0.000 0.785 196 S HN 0.355 nan 8.310 nan 0.000 0.495 197 E N 1.468 121.658 120.200 -0.016 0.000 2.072 197 E HA -0.021 4.328 4.350 -0.003 0.000 0.190 197 E C 2.230 178.878 176.600 0.080 0.000 0.982 197 E CA 1.044 57.465 56.400 0.036 0.000 0.803 197 E CB -0.278 29.461 29.700 0.065 0.000 0.755 197 E HN 0.541 nan 8.360 nan 0.000 0.453 198 S N 1.295 117.024 115.700 0.048 0.000 2.387 198 S HA -0.213 4.255 4.470 -0.003 0.000 0.230 198 S C 1.780 176.397 174.600 0.029 0.000 1.035 198 S CA 1.382 59.612 58.200 0.049 0.000 1.014 198 S CB -0.188 63.028 63.200 0.027 0.000 0.836 198 S HN 0.283 nan 8.310 nan 0.000 0.466 199 E N 0.089 120.282 120.200 -0.012 0.000 2.230 199 E HA 0.118 4.466 4.350 -0.003 0.000 0.192 199 E C 2.012 178.552 176.600 -0.100 0.000 0.987 199 E CA 0.376 56.752 56.400 -0.040 0.000 0.841 199 E CB -0.034 29.641 29.700 -0.041 0.000 0.783 199 E HN 0.325 nan 8.360 nan 0.000 0.481 200 M N -0.153 119.336 119.600 -0.186 0.000 2.229 200 M HA -0.096 4.382 4.480 -0.003 0.000 0.264 200 M C 0.244 176.223 176.300 -0.535 0.000 1.063 200 M CA 1.381 56.415 55.300 -0.443 0.000 1.114 200 M CB 0.045 32.219 32.600 -0.710 0.000 1.387 200 M HN 0.080 nan 8.290 nan 0.000 0.420 201 Y N -0.439 119.843 120.300 -0.029 0.000 2.562 201 Y HA 0.276 4.824 4.550 -0.003 0.000 0.363 201 Y C -1.574 174.320 175.900 -0.009 0.000 0.991 201 Y CA -2.540 55.544 58.100 -0.027 0.000 1.121 201 Y CB -0.321 38.105 38.460 -0.057 0.000 1.159 201 Y HN 0.117 nan 8.280 nan 0.000 0.651 202 P HA -0.144 nan 4.420 nan 0.000 0.221 202 P C 0.833 178.189 177.300 0.093 0.000 1.145 202 P CA 1.401 64.544 63.100 0.071 0.000 0.795 202 P CB 0.623 32.346 31.700 0.038 0.000 0.775 203 L N -1.609 119.689 121.223 0.125 0.000 2.700 203 L HA 0.352 4.691 4.340 -0.003 0.000 0.234 203 L C 1.090 178.094 176.870 0.223 0.000 1.156 203 L CA -0.032 54.899 54.840 0.152 0.000 0.946 203 L CB -0.585 41.556 42.059 0.137 0.000 1.216 203 L HN 0.073 nan 8.230 nan 0.000 0.493 204 G N 0.490 109.381 108.800 0.151 0.000 2.828 204 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.463 204 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.463 204 G C -0.512 174.198 174.900 -0.316 0.000 1.394 204 G CA -0.501 44.580 45.100 -0.032 0.000 0.862 204 G HN 0.480 nan 8.290 nan 0.000 0.540 205 C N -1.854 116.904 119.300 -0.904 0.000 3.321 205 C HA 0.788 5.247 4.460 -0.003 0.000 0.329 205 C C -0.439 173.917 174.990 -1.056 0.000 1.394 205 C CA -0.869 57.559 59.018 -0.984 0.000 1.291 205 C CB 1.147 28.332 27.740 -0.924 0.000 1.606 205 C HN 2.022 nan 8.230 nan 0.000 0.463 206 L N 3.363 124.239 121.223 -0.579 0.000 2.260 206 L HA 0.403 4.741 4.340 -0.003 0.000 0.289 206 L C 0.330 177.048 176.870 -0.253 0.000 1.057 206 L CA 0.138 54.794 54.840 -0.306 0.000 0.811 206 L CB 0.078 42.059 42.059 -0.130 0.000 1.184 206 L HN 0.850 nan 8.230 nan 0.000 0.429 207 N N 5.414 124.017 118.700 -0.161 0.000 2.468 207 N HA 0.025 4.764 4.740 -0.003 0.000 0.265 207 N C 0.161 175.694 175.510 0.038 0.000 1.199 207 N CA 0.062 53.096 53.050 -0.026 0.000 0.928 207 N CB 0.798 39.343 38.487 0.097 0.000 1.059 207 N HN 0.650 nan 8.380 nan 0.000 0.467 208 M N 1.979 121.630 119.600 0.086 0.000 2.405 208 M HA 0.195 4.674 4.480 -0.003 0.000 0.292 208 M C 0.860 177.280 176.300 0.199 0.000 1.111 208 M CA -0.267 55.097 55.300 0.107 0.000 0.979 208 M CB -0.066 32.557 32.600 0.039 0.000 1.426 208 M HN 0.394 nan 8.290 nan 0.000 0.509 209 G N 0.354 109.230 108.800 0.128 0.000 2.537 209 G HA2 0.372 4.331 3.960 -0.003 0.000 0.273 209 G HA3 0.372 4.331 3.960 -0.003 0.000 0.273 209 G C 0.664 175.400 174.900 -0.274 0.000 1.189 209 G CA -0.535 44.471 45.100 -0.157 0.000 0.881 209 G HN 0.237 nan 8.290 nan 0.000 0.535 210 L N 1.753 122.708 121.223 -0.447 0.000 2.005 210 L HA 0.034 4.373 4.340 -0.003 0.000 0.207 210 L C 2.984 179.491 176.870 -0.606 0.000 1.072 210 L CA 2.711 57.237 54.840 -0.524 0.000 0.744 210 L CB -0.506 41.106 42.059 -0.744 0.000 0.895 210 L HN 0.566 nan 8.230 nan 0.000 0.433 211 A N -1.976 120.304 122.820 -0.899 0.000 1.972 211 A HA -0.186 4.133 4.320 -0.003 0.000 0.219 211 A C 1.753 178.877 177.584 -0.767 0.000 1.169 211 A CA 1.828 53.306 52.037 -0.931 0.000 0.635 211 A CB -0.589 17.756 19.000 -1.091 0.000 0.810 211 A HN 0.718 nan 8.150 nan 0.000 0.446 212 H N -2.504 116.353 119.070 -0.354 0.000 3.233 212 H HA 0.293 4.847 4.556 -0.003 0.000 0.263 212 H C 0.981 176.301 175.328 -0.013 0.000 1.168 212 H CA 0.513 56.432 56.048 -0.215 0.000 1.159 212 H CB 0.362 30.009 29.762 -0.192 0.000 1.593 212 H HN 0.475 nan 8.280 nan 0.000 0.580 213 G N -0.035 108.836 108.800 0.119 0.000 3.247 213 G HA2 0.292 4.250 3.960 -0.003 0.000 0.226 213 G HA3 0.292 4.250 3.960 -0.003 0.000 0.226 213 G C 0.398 175.416 174.900 0.198 0.000 1.220 213 G CA -0.474 44.758 45.100 0.221 0.000 0.875 213 G HN 0.073 nan 8.290 nan 0.000 0.606 214 L N 0.522 121.830 121.223 0.142 0.000 2.109 214 L HA 0.184 4.523 4.340 -0.003 0.000 0.207 214 L C 3.054 180.011 176.870 0.145 0.000 1.086 214 L CA 2.522 57.444 54.840 0.136 0.000 0.760 214 L CB -0.677 41.473 42.059 0.151 0.000 0.910 214 L HN 0.551 nan 8.230 nan 0.000 0.437 215 A N -0.658 122.228 122.820 0.111 0.000 1.908 215 A HA -0.112 4.206 4.320 -0.003 0.000 0.218 215 A C 2.342 179.871 177.584 -0.092 0.000 1.181 215 A CA 1.613 53.555 52.037 -0.157 0.000 0.627 215 A CB -1.495 17.295 19.000 -0.349 0.000 0.818 215 A HN 0.492 nan 8.150 nan 0.000 0.445 216 G N -0.207 108.561 108.800 -0.054 0.000 2.421 216 G HA2 0.005 3.964 3.960 -0.003 0.000 0.216 216 G HA3 0.005 3.964 3.960 -0.003 0.000 0.216 216 G C 1.581 176.533 174.900 0.087 0.000 1.171 216 G CA 1.860 46.956 45.100 -0.007 0.000 0.775 216 G HN 0.943 nan 8.290 nan 0.000 0.543 217 V N 1.393 121.373 119.914 0.109 0.000 2.343 217 V HA 0.095 4.213 4.120 -0.003 0.000 0.247 217 V C 2.863 179.011 176.094 0.090 0.000 1.051 217 V CA 2.854 65.223 62.300 0.115 0.000 1.036 217 V CB -1.122 30.749 31.823 0.079 0.000 0.654 217 V HN 0.384 nan 8.190 nan 0.000 0.451 218 G N -1.084 107.752 108.800 0.060 0.000 2.421 218 G HA2 -0.283 3.676 3.960 -0.003 0.000 0.216 218 G HA3 -0.283 3.676 3.960 -0.003 0.000 0.216 218 G C 1.755 176.718 174.900 0.106 0.000 1.171 218 G CA 1.425 46.553 45.100 0.046 0.000 0.775 218 G HN 0.581 nan 8.290 nan 0.000 0.543 219 C N -0.126 119.260 119.300 0.142 0.000 2.413 219 C HA -0.017 4.442 4.460 -0.003 0.000 0.276 219 C C 2.663 177.852 174.990 0.331 0.000 1.236 219 C CA 0.646 59.847 59.018 0.306 0.000 1.735 219 C CB -0.826 27.124 27.740 0.350 0.000 2.031 219 C HN 0.455 nan 8.230 nan 0.000 0.474 220 I N 0.465 121.193 120.570 0.263 0.000 2.439 220 I HA -0.089 4.080 4.170 -0.003 0.000 0.251 220 I C 2.139 178.359 176.117 0.172 0.000 1.139 220 I CA 1.439 62.889 61.300 0.251 0.000 1.438 220 I CB -0.345 37.789 38.000 0.223 0.000 1.085 220 I HN 0.279 nan 8.210 nan 0.000 0.427 221 L N -0.294 121.017 121.223 0.148 0.000 2.141 221 L HA -0.110 4.229 4.340 -0.003 0.000 0.209 221 L C 2.588 179.545 176.870 0.145 0.000 1.094 221 L CA 1.109 56.018 54.840 0.115 0.000 0.763 221 L CB -0.918 41.194 42.059 0.088 0.000 0.908 221 L HN 0.244 nan 8.230 nan 0.000 0.437 222 A N -0.624 122.323 122.820 0.212 0.000 1.898 222 A HA -0.257 4.061 4.320 -0.003 0.000 0.216 222 A C 2.193 179.925 177.584 0.247 0.000 1.181 222 A CA 1.264 53.482 52.037 0.302 0.000 0.620 222 A CB -0.751 18.514 19.000 0.441 0.000 0.819 222 A HN 0.422 nan 8.150 nan 0.000 0.442 223 Y N 0.784 121.087 120.300 0.005 0.000 2.200 223 Y HA -0.029 4.520 4.550 -0.003 0.000 0.290 223 Y C 2.648 178.338 175.900 -0.350 0.000 1.137 223 Y CA 0.871 58.731 58.100 -0.399 0.000 1.163 223 Y CB -0.767 37.208 38.460 -0.809 0.000 0.988 223 Y HN 0.309 nan 8.280 nan 0.000 0.518 224 A N 0.160 122.850 122.820 -0.217 0.000 1.873 224 A HA -0.321 3.998 4.320 -0.003 0.000 0.218 224 A C 2.389 179.913 177.584 -0.100 0.000 1.193 224 A CA 2.098 54.033 52.037 -0.170 0.000 0.629 224 A CB -1.643 17.343 19.000 -0.024 0.000 0.826 224 A HN 0.762 nan 8.150 nan 0.000 0.447 225 H N 0.436 119.439 119.070 -0.111 0.000 2.289 225 H HA -0.203 4.351 4.556 -0.002 0.000 0.294 225 H C 1.979 177.185 175.328 -0.203 0.000 1.095 225 H CA 2.355 58.339 56.048 -0.106 0.000 1.256 225 H CB -0.202 29.538 29.762 -0.036 0.000 1.359 225 H HN 0.559 nan 8.280 nan 0.000 0.487 226 I N -0.543 119.750 120.570 -0.462 0.000 2.676 226 I HA -0.069 4.100 4.170 -0.003 0.000 0.259 226 I C 1.667 177.450 176.117 -0.557 0.000 1.194 226 I CA 1.038 61.978 61.300 -0.599 0.000 1.473 226 I CB -0.160 37.410 38.000 -0.716 0.000 1.096 226 I HN -0.086 nan 8.210 nan 0.000 0.443 227 K N 1.495 121.557 120.400 -0.563 0.000 2.459 227 K HA 0.285 4.604 4.320 -0.003 0.000 0.193 227 K C 1.459 177.824 176.600 -0.392 0.000 1.030 227 K CA 0.826 56.841 56.287 -0.452 0.000 1.026 227 K CB 0.012 32.207 32.500 -0.508 0.000 0.809 227 K HN 0.656 nan 8.250 nan 0.000 0.504 228 G N 0.523 109.047 108.800 -0.460 0.000 2.192 228 G HA2 -0.211 3.748 3.960 -0.003 0.000 0.193 228 G HA3 -0.211 3.748 3.960 -0.003 0.000 0.193 228 G C -0.531 173.986 174.900 -0.638 0.000 0.999 228 G CA -0.556 44.194 45.100 -0.583 0.000 0.659 228 G HN 0.214 nan 8.290 nan 0.000 0.503 229 Y N 2.255 122.444 120.300 -0.186 0.000 2.721 229 Y HA 0.611 5.160 4.550 -0.003 0.000 0.328 229 Y C 0.597 176.471 175.900 -0.043 0.000 1.003 229 Y CA -0.273 57.761 58.100 -0.110 0.000 1.275 229 Y CB 1.301 39.683 38.460 -0.129 0.000 1.097 229 Y HN 0.561 nan 8.280 nan 0.000 0.514 230 S N 1.436 117.192 115.700 0.094 0.000 2.588 230 S HA 0.816 5.285 4.470 -0.003 0.000 0.269 230 S C -1.171 173.476 174.600 0.077 0.000 1.157 230 S CA -0.956 57.316 58.200 0.120 0.000 0.824 230 S CB 2.337 65.681 63.200 0.239 0.000 1.126 230 S HN 0.532 nan 8.310 nan 0.000 0.464 231 N N -0.054 118.679 118.700 0.056 0.000 3.316 231 N HA 0.430 5.169 4.740 -0.003 0.000 0.300 231 N C 0.214 175.733 175.510 0.014 0.000 1.567 231 N CA -0.940 52.130 53.050 0.032 0.000 0.821 231 N CB -0.050 38.453 38.487 0.027 0.000 1.748 231 N HN 0.624 nan 8.380 nan 0.000 0.603 232 E N -0.506 119.697 120.200 0.006 0.000 2.110 232 E HA -0.159 4.190 4.350 -0.003 0.000 0.193 232 E C 1.623 178.219 176.600 -0.006 0.000 0.988 232 E CA 1.647 58.044 56.400 -0.005 0.000 0.804 232 E CB -0.259 29.438 29.700 -0.005 0.000 0.745 232 E HN 0.600 nan 8.360 nan 0.000 0.458 233 A N 1.043 123.863 122.820 -0.000 0.000 1.902 233 A HA -0.221 4.097 4.320 -0.003 0.000 0.217 233 A C 2.306 179.889 177.584 -0.001 0.000 1.181 233 A CA 2.074 54.109 52.037 -0.002 0.000 0.623 233 A CB -0.604 18.397 19.000 0.002 0.000 0.818 233 A HN 0.358 nan 8.150 nan 0.000 0.443 234 S N -0.345 115.360 115.700 0.008 0.000 2.395 234 S HA 0.022 4.491 4.470 -0.003 0.000 0.225 234 S C 1.894 176.496 174.600 0.004 0.000 1.027 234 S CA 1.119 59.328 58.200 0.015 0.000 0.965 234 S CB -0.640 62.582 63.200 0.036 0.000 0.812 234 S HN 0.418 nan 8.310 nan 0.000 0.482 235 L N 1.505 122.718 121.223 -0.017 0.000 2.141 235 L HA -0.040 4.299 4.340 -0.003 0.000 0.209 235 L C 2.794 179.654 176.870 -0.017 0.000 1.094 235 L CA 1.253 56.065 54.840 -0.047 0.000 0.763 235 L CB -0.641 41.361 42.059 -0.096 0.000 0.908 235 L HN 0.365 nan 8.230 nan 0.000 0.437 236 S N -0.106 115.586 115.700 -0.012 0.000 2.387 236 S HA -0.096 4.372 4.470 -0.003 0.000 0.226 236 S C 2.201 176.800 174.600 -0.001 0.000 1.026 236 S CA 1.002 59.197 58.200 -0.009 0.000 0.972 236 S CB -0.181 63.008 63.200 -0.019 0.000 0.814 236 S HN 0.488 nan 8.310 nan 0.000 0.477 237 A N 1.801 124.621 122.820 -0.000 0.000 1.877 237 A HA -0.054 4.264 4.320 -0.003 0.000 0.216 237 A C 2.116 179.714 177.584 0.023 0.000 1.186 237 A CA 1.412 53.451 52.037 0.004 0.000 0.620 237 A CB -0.833 18.166 19.000 -0.003 0.000 0.822 237 A HN 0.409 nan 8.150 nan 0.000 0.443 238 L N -0.350 120.890 121.223 0.027 0.000 1.990 238 L HA -0.240 4.098 4.340 -0.003 0.000 0.213 238 L C 2.451 179.349 176.870 0.046 0.000 1.072 238 L CA 2.817 57.679 54.840 0.036 0.000 0.755 238 L CB -1.016 41.069 42.059 0.042 0.000 0.889 238 L HN 0.487 nan 8.230 nan 0.000 0.432 239 Q N -0.191 119.648 119.800 0.065 0.000 2.077 239 Q HA -0.295 4.044 4.340 -0.003 0.000 0.206 239 Q C 2.380 178.462 176.000 0.136 0.000 0.989 239 Q CA 2.534 58.404 55.803 0.112 0.000 0.853 239 Q CB -0.278 28.510 28.738 0.084 0.000 0.907 239 Q HN 0.580 nan 8.270 nan 0.000 0.418 240 K N -0.389 120.062 120.400 0.085 0.000 2.097 240 K HA -0.116 4.202 4.320 -0.003 0.000 0.205 240 K C 1.834 178.554 176.600 0.199 0.000 1.050 240 K CA 1.228 57.577 56.287 0.103 0.000 0.938 240 K CB -0.113 32.404 32.500 0.028 0.000 0.718 240 K HN 0.247 nan 8.250 nan 0.000 0.442 241 I N 0.859 121.512 120.570 0.139 0.000 2.202 241 I HA -0.254 3.915 4.170 -0.003 0.000 0.242 241 I C 2.178 178.421 176.117 0.211 0.000 1.091 241 I CA 1.094 62.495 61.300 0.168 0.000 1.368 241 I CB -0.145 37.919 38.000 0.107 0.000 1.058 241 I HN 0.167 nan 8.210 nan 0.000 0.410 242 I N 0.096 120.695 120.570 0.048 0.000 2.361 242 I HA -0.316 3.853 4.170 -0.003 0.000 0.251 242 I C 2.520 178.688 176.117 0.086 0.000 1.133 242 I CA 1.464 62.675 61.300 -0.147 0.000 1.413 242 I CB -0.366 37.348 38.000 -0.476 0.000 1.073 242 I HN 0.195 nan 8.210 nan 0.000 0.424 243 F N 1.891 121.883 119.950 0.070 0.000 2.134 243 F HA -0.213 4.313 4.527 -0.002 0.000 0.299 243 F C 2.262 178.144 175.800 0.137 0.000 1.097 243 F CA 1.743 59.815 58.000 0.121 0.000 1.264 243 F CB -0.133 38.927 39.000 0.100 0.000 1.001 243 F HN -0.120 nan 8.300 nan 0.000 0.479 244 I N -1.014 119.758 120.570 0.337 0.000 2.394 244 I HA -0.311 3.858 4.170 -0.003 0.000 0.251 244 I C 1.896 178.138 176.117 0.208 0.000 1.136 244 I CA 1.204 62.666 61.300 0.270 0.000 1.425 244 I CB -0.629 37.544 38.000 0.287 0.000 1.079 244 I HN 0.139 nan 8.210 nan 0.000 0.425 245 Y N 0.890 121.306 120.300 0.194 0.000 2.200 245 Y HA -0.191 4.357 4.550 -0.002 0.000 0.290 245 Y C 2.659 178.884 175.900 0.541 0.000 1.137 245 Y CA 1.191 59.481 58.100 0.317 0.000 1.163 245 Y CB -0.148 38.314 38.460 0.004 0.000 0.988 245 Y HN 0.066 nan 8.280 nan 0.000 0.518 246 E N 0.194 120.645 120.200 0.419 0.000 2.118 246 E HA -0.207 4.142 4.350 -0.003 0.000 0.195 246 E C 2.024 178.642 176.600 0.029 0.000 0.992 246 E CA 1.072 57.649 56.400 0.295 0.000 0.804 246 E CB -0.079 29.733 29.700 0.186 0.000 0.741 246 E HN 0.201 nan 8.360 nan 0.000 0.458 247 K N -0.030 120.247 120.400 -0.204 0.000 2.031 247 K HA -0.027 4.291 4.320 -0.003 0.000 0.205 247 K C 1.475 177.781 176.600 -0.490 0.000 1.049 247 K CA 0.914 56.892 56.287 -0.516 0.000 0.939 247 K CB -0.306 31.665 32.500 -0.881 0.000 0.717 247 K HN 0.049 nan 8.250 nan 0.000 0.438 248 F N 1.352 121.335 119.950 0.054 0.000 2.660 248 F HA 0.234 4.760 4.527 -0.003 0.000 0.302 248 F C 0.285 176.049 175.800 -0.059 0.000 1.103 248 F CA -0.436 57.587 58.000 0.038 0.000 1.340 248 F CB -0.108 38.932 39.000 0.066 0.000 1.048 248 F HN -0.005 nan 8.300 nan 0.000 0.551 249 E N 2.388 122.554 120.200 -0.057 0.000 2.480 249 E HA 0.022 4.370 4.350 -0.003 0.000 0.258 249 E C 0.182 176.483 176.600 -0.499 0.000 0.984 249 E CA -0.230 55.721 56.400 -0.749 0.000 0.930 249 E CB 0.573 29.917 29.700 -0.593 0.000 0.936 249 E HN 0.308 nan 8.360 nan 0.000 0.466 250 L N 3.446 124.337 121.223 -0.554 0.000 2.474 250 L HA 0.118 4.456 4.340 -0.003 0.000 0.259 250 L C 0.561 177.249 176.870 -0.304 0.000 1.232 250 L CA 0.419 55.076 54.840 -0.305 0.000 0.821 250 L CB 0.288 42.214 42.059 -0.222 0.000 1.108 250 L HN 0.655 nan 8.230 nan 0.000 0.495 251 E N -0.204 119.872 120.200 -0.206 0.000 2.256 251 E HA 0.455 4.804 4.350 -0.003 0.000 0.267 251 E C -0.336 176.166 176.600 -0.164 0.000 0.892 251 E CA -0.628 55.657 56.400 -0.191 0.000 0.775 251 E CB 2.071 31.687 29.700 -0.139 0.000 1.207 251 E HN 0.444 nan 8.360 nan 0.000 0.420 252 R N 1.018 121.413 120.500 -0.175 0.000 3.442 252 R HA -0.352 3.986 4.340 -0.003 0.000 0.216 252 R C 1.288 177.517 176.300 -0.120 0.000 0.747 252 R CA 2.359 58.379 56.100 -0.134 0.000 1.290 252 R CB -1.058 29.187 30.300 -0.091 0.000 0.787 252 R HN 0.451 nan 8.270 nan 0.000 0.625 253 K N 1.181 121.530 120.400 -0.085 0.000 2.228 253 K HA 0.014 4.333 4.320 -0.003 0.000 0.202 253 K C 1.156 177.718 176.600 -0.063 0.000 1.051 253 K CA 0.956 57.208 56.287 -0.059 0.000 0.960 253 K CB 0.024 32.499 32.500 -0.042 0.000 0.743 253 K HN 0.261 nan 8.250 nan 0.000 0.458 254 K N 1.689 122.036 120.400 -0.089 0.000 2.500 254 K HA 0.047 4.366 4.320 -0.003 0.000 0.206 254 K C 0.127 176.626 176.600 -0.168 0.000 1.034 254 K CA -0.156 56.074 56.287 -0.095 0.000 1.179 254 K CB 0.336 32.784 32.500 -0.086 0.000 0.884 254 K HN 0.158 nan 8.250 nan 0.000 0.493 255 Q N 0.433 120.101 119.800 -0.220 0.000 2.349 255 Q HA -0.117 4.222 4.340 -0.003 0.000 0.287 255 Q C -0.614 175.185 176.000 -0.335 0.000 1.044 255 Q CA 0.494 56.041 55.803 -0.427 0.000 0.918 255 Q CB 0.173 28.576 28.738 -0.559 0.000 1.242 255 Q HN 0.293 nan 8.270 nan 0.000 0.405 256 F N 0.511 120.296 119.950 -0.274 0.000 3.018 256 F HA -0.253 4.274 4.527 -0.002 0.000 0.287 256 F C -0.909 174.799 175.800 -0.153 0.000 0.813 256 F CA 0.401 58.279 58.000 -0.204 0.000 1.209 256 F CB -1.938 37.054 39.000 -0.013 0.000 1.321 256 F HN 0.397 nan 8.300 nan 0.000 0.477 257 L N -0.688 120.356 121.223 -0.299 0.000 2.370 257 L HA 0.648 4.986 4.340 -0.003 0.000 0.266 257 L C -0.319 176.415 176.870 -0.226 0.000 1.002 257 L CA -0.565 54.248 54.840 -0.045 0.000 0.818 257 L CB 1.967 44.028 42.059 0.003 0.000 1.325 257 L HN 0.108 nan 8.230 nan 0.000 0.418 258 W N 1.567 122.950 121.300 0.139 0.000 2.936 258 W HA 0.440 5.100 4.660 -0.001 0.000 0.338 258 W C -0.547 176.046 176.519 0.124 0.000 1.121 258 W CA -0.885 56.547 57.345 0.146 0.000 1.209 258 W CB 2.359 31.947 29.460 0.214 0.000 1.420 258 W HN 0.335 nan 8.180 nan 0.000 0.516 259 K N 0.829 121.412 120.400 0.306 0.000 2.180 259 K HA 0.021 4.339 4.320 -0.003 0.000 0.251 259 K C 0.439 177.179 176.600 0.235 0.000 1.014 259 K CA -0.234 56.182 56.287 0.216 0.000 0.913 259 K CB 0.871 33.462 32.500 0.152 0.000 1.008 259 K HN 0.289 nan 8.250 nan 0.000 0.490 260 D N 0.039 120.551 120.400 0.187 0.000 2.178 260 D HA -0.018 4.621 4.640 -0.003 0.000 0.202 260 D C 0.626 177.007 176.300 0.136 0.000 0.974 260 D CA 1.008 55.114 54.000 0.177 0.000 0.841 260 D CB 0.121 40.904 40.800 -0.029 0.000 0.953 260 D HN 0.636 nan 8.370 nan 0.000 0.478 261 G N -0.804 108.041 108.800 0.075 0.000 2.706 261 G HA2 0.591 4.549 3.960 -0.003 0.000 0.297 261 G HA3 0.591 4.549 3.960 -0.003 0.000 0.297 261 G C -1.458 173.389 174.900 -0.087 0.000 1.403 261 G CA -0.669 44.341 45.100 -0.149 0.000 0.954 261 G HN 0.023 nan 8.290 nan 0.000 0.500 262 L N 1.306 122.416 121.223 -0.187 0.000 2.329 262 L HA 0.624 4.963 4.340 -0.003 0.000 0.279 262 L C -0.041 176.760 176.870 -0.114 0.000 1.014 262 L CA -1.120 53.602 54.840 -0.196 0.000 0.814 262 L CB 2.101 43.900 42.059 -0.434 0.000 1.257 262 L HN 0.227 nan 8.230 nan 0.000 0.424 263 V N 1.734 121.641 119.914 -0.012 0.000 2.834 263 V HA 0.347 4.466 4.120 -0.003 0.000 0.313 263 V C 1.168 177.356 176.094 0.157 0.000 1.060 263 V CA 0.100 62.480 62.300 0.134 0.000 0.989 263 V CB 1.534 33.441 31.823 0.140 0.000 1.041 263 V HN 0.998 nan 8.190 nan 0.000 0.459 264 A N 2.744 125.703 122.820 0.231 0.000 1.923 264 A HA -0.314 4.004 4.320 -0.003 0.000 0.222 264 A C 1.694 179.263 177.584 -0.024 0.000 1.258 264 A CA 2.948 54.958 52.037 -0.046 0.000 0.670 264 A CB -0.958 17.951 19.000 -0.151 0.000 0.834 264 A HN 1.096 nan 8.150 nan 0.000 0.470 265 D N -0.711 119.699 120.400 0.017 0.000 2.149 265 D HA -0.105 4.533 4.640 -0.003 0.000 0.201 265 D C 1.638 177.969 176.300 0.052 0.000 0.972 265 D CA 1.222 55.238 54.000 0.027 0.000 0.835 265 D CB -0.598 40.221 40.800 0.032 0.000 0.966 265 D HN 0.700 nan 8.370 nan 0.000 0.476 266 E N 0.524 120.753 120.200 0.048 0.000 2.058 266 E HA -0.151 4.197 4.350 -0.003 0.000 0.194 266 E C 2.253 178.933 176.600 0.133 0.000 0.997 266 E CA 0.793 57.239 56.400 0.075 0.000 0.801 266 E CB -0.270 29.422 29.700 -0.013 0.000 0.746 266 E HN 0.354 nan 8.360 nan 0.000 0.450 267 L N 0.588 121.812 121.223 0.002 0.000 2.056 267 L HA -0.160 4.179 4.340 -0.003 0.000 0.207 267 L C 2.394 179.373 176.870 0.182 0.000 1.078 267 L CA 1.041 55.924 54.840 0.072 0.000 0.749 267 L CB -0.098 41.946 42.059 -0.025 0.000 0.901 267 L HN -0.044 nan 8.230 nan 0.000 0.433 268 K N -0.088 120.366 120.400 0.090 0.000 2.487 268 K HA -0.035 4.284 4.320 -0.003 0.000 0.192 268 K C 1.387 178.038 176.600 0.086 0.000 1.027 268 K CA 0.783 57.111 56.287 0.068 0.000 1.054 268 K CB 0.210 32.719 32.500 0.014 0.000 0.824 268 K HN 0.169 nan 8.250 nan 0.000 0.510 269 K N -0.738 119.734 120.400 0.120 0.000 2.412 269 K HA 0.145 4.463 4.320 -0.003 0.000 0.202 269 K C -0.427 176.245 176.600 0.120 0.000 1.102 269 K CA 0.101 56.449 56.287 0.101 0.000 1.027 269 K CB 0.871 33.421 32.500 0.083 0.000 0.931 269 K HN -0.003 nan 8.250 nan 0.000 0.557 270 E N 0.842 121.166 120.200 0.208 0.000 2.971 270 E HA -0.178 4.171 4.350 -0.003 0.000 0.278 270 E C -0.719 175.888 176.600 0.012 0.000 1.009 270 E CA 0.706 57.178 56.400 0.121 0.000 0.862 270 E CB -0.462 29.249 29.700 0.019 0.000 1.436 270 E HN -0.010 nan 8.360 nan 0.000 0.434 271 K N 0.290 120.791 120.400 0.169 0.000 2.468 271 K HA 0.356 4.674 4.320 -0.003 0.000 0.252 271 K C -0.490 176.255 176.600 0.241 0.000 0.932 271 K CA -0.809 55.552 56.287 0.124 0.000 0.794 271 K CB 2.214 34.745 32.500 0.052 0.000 1.241 271 K HN -0.059 nan 8.250 nan 0.000 0.428 272 V N 5.437 125.505 119.914 0.256 0.000 2.617 272 V HA -0.052 4.067 4.120 -0.003 0.000 0.304 272 V C 1.466 177.619 176.094 0.098 0.000 1.040 272 V CA 0.914 63.327 62.300 0.189 0.000 1.149 272 V CB 0.103 32.016 31.823 0.150 0.000 0.914 272 V HN 0.638 nan 8.190 nan 0.000 0.487 273 I N 4.034 124.651 120.570 0.078 0.000 3.904 273 I HA 0.261 4.429 4.170 -0.003 0.000 0.235 273 I C 0.786 176.924 176.117 0.036 0.000 1.062 273 I CA -0.345 60.986 61.300 0.051 0.000 1.574 273 I CB -0.130 37.900 38.000 0.050 0.000 1.503 273 I HN 0.389 nan 8.210 nan 0.000 0.463 274 R N 3.226 123.748 120.500 0.037 0.000 2.539 274 R HA 0.196 4.535 4.340 -0.003 0.000 0.275 274 R C -0.375 175.941 176.300 0.027 0.000 1.077 274 R CA -0.189 55.927 56.100 0.026 0.000 1.097 274 R CB -0.056 30.259 30.300 0.024 0.000 1.018 274 R HN 0.445 nan 8.270 nan 0.000 0.483 275 E N 1.116 121.324 120.200 0.014 0.000 2.277 275 E HA 0.551 4.900 4.350 -0.003 0.000 0.274 275 E C -0.633 175.973 176.600 0.010 0.000 1.022 275 E CA -0.899 55.508 56.400 0.011 0.000 0.853 275 E CB 1.220 30.919 29.700 -0.003 0.000 1.086 275 E HN 0.512 nan 8.360 nan 0.000 0.397 276 A N 2.351 125.184 122.820 0.021 0.000 2.406 276 A HA 0.082 4.401 4.320 -0.003 0.000 0.243 276 A C 1.032 178.617 177.584 0.002 0.000 1.082 276 A CA 0.054 52.105 52.037 0.024 0.000 0.786 276 A CB 0.995 20.030 19.000 0.058 0.000 1.029 276 A HN 0.725 nan 8.150 nan 0.000 0.495 277 S N -0.268 115.435 115.700 0.005 0.000 2.387 277 S HA 0.184 4.653 4.470 -0.003 0.000 0.221 277 S C 0.000 174.608 174.600 0.014 0.000 1.041 277 S CA 0.618 58.818 58.200 0.000 0.000 0.959 277 S CB -0.166 63.040 63.200 0.010 0.000 0.843 277 S HN 0.549 nan 8.310 nan 0.000 0.488 278 F N 1.453 121.369 119.950 -0.057 0.000 2.577 278 F HA 0.531 5.057 4.527 -0.002 0.000 0.344 278 F C -1.072 174.703 175.800 -0.041 0.000 1.145 278 F CA -0.910 57.059 58.000 -0.052 0.000 0.996 278 F CB 1.026 39.980 39.000 -0.076 0.000 1.248 278 F HN -0.019 nan 8.300 nan 0.000 0.447 279 I N 5.676 126.376 120.570 0.216 0.000 2.525 279 I HA 0.563 4.732 4.170 -0.003 0.000 0.301 279 I C -0.397 175.885 176.117 0.275 0.000 0.992 279 I CA -0.775 60.655 61.300 0.216 0.000 1.162 279 I CB 1.973 40.057 38.000 0.141 0.000 1.332 279 I HN 0.557 nan 8.210 nan 0.000 0.458 280 R N 2.623 123.281 120.500 0.265 0.000 2.888 280 R HA 0.531 4.870 4.340 -0.003 0.000 0.264 280 R C -1.672 174.743 176.300 0.191 0.000 1.045 280 R CA -0.929 55.321 56.100 0.249 0.000 0.962 280 R CB 1.585 32.057 30.300 0.287 0.000 1.210 280 R HN 0.335 nan 8.270 nan 0.000 0.479 281 D N 0.676 121.172 120.400 0.160 0.000 2.467 281 D HA 0.490 5.129 4.640 -0.003 0.000 0.220 281 D C -0.946 175.435 176.300 0.135 0.000 1.103 281 D CA 0.042 54.120 54.000 0.129 0.000 0.886 281 D CB 1.576 42.429 40.800 0.089 0.000 1.025 281 D HN 0.648 nan 8.370 nan 0.000 0.514 282 A N 1.628 124.536 122.820 0.146 0.000 2.527 282 A HA 0.336 4.655 4.320 -0.003 0.000 0.293 282 A C 0.268 177.940 177.584 0.146 0.000 1.117 282 A CA -0.957 51.188 52.037 0.180 0.000 0.723 282 A CB 0.899 20.056 19.000 0.262 0.000 1.313 282 A HN 0.520 nan 8.150 nan 0.000 0.411 283 W N 1.159 122.452 121.300 -0.012 0.000 2.335 283 W HA -0.280 4.378 4.660 -0.002 0.000 0.311 283 W C 2.184 178.661 176.519 -0.070 0.000 1.213 283 W CA 3.083 60.392 57.345 -0.059 0.000 1.274 283 W CB -0.452 28.963 29.460 -0.075 0.000 1.148 283 W HN 0.854 nan 8.180 nan 0.000 0.498 284 C N -1.828 117.422 119.300 -0.084 0.000 2.466 284 C HA 0.103 4.561 4.460 -0.003 0.000 0.278 284 C C 0.562 175.215 174.990 -0.562 0.000 1.288 284 C CA 0.123 58.847 59.018 -0.489 0.000 1.722 284 C CB -1.722 25.965 27.740 -0.090 0.000 2.017 284 C HN 0.237 nan 8.230 nan 0.000 0.488 285 Y N 0.873 121.124 120.300 -0.082 0.000 2.492 285 Y HA 0.644 5.192 4.550 -0.002 0.000 0.346 285 Y C 0.701 176.611 175.900 0.017 0.000 0.997 285 Y CA 0.690 58.774 58.100 -0.026 0.000 1.025 285 Y CB 1.657 40.136 38.460 0.031 0.000 1.263 285 Y HN 0.751 nan 8.280 nan 0.000 0.454 286 G N 0.622 109.548 108.800 0.210 0.000 2.549 286 G HA2 0.074 4.033 3.960 -0.003 0.000 0.404 286 G HA3 0.074 4.033 3.960 -0.003 0.000 0.404 286 G C 0.850 175.818 174.900 0.114 0.000 1.292 286 G CA -0.265 44.957 45.100 0.203 0.000 0.935 286 G HN 1.199 nan 8.290 nan 0.000 0.512 287 G N 0.423 109.326 108.800 0.171 0.000 2.529 287 G HA2 -0.035 3.923 3.960 -0.003 0.000 0.219 287 G HA3 -0.035 3.923 3.960 -0.003 0.000 0.219 287 G C 0.189 175.078 174.900 -0.019 0.000 1.177 287 G CA 2.547 47.726 45.100 0.132 0.000 0.773 287 G HN 0.736 nan 8.290 nan 0.000 0.573 288 P HA -0.078 nan 4.420 nan 0.000 0.214 288 P C 2.184 179.415 177.300 -0.115 0.000 1.163 288 P CA 1.948 64.981 63.100 -0.112 0.000 0.889 288 P CB -0.558 31.098 31.700 -0.072 0.000 0.790 289 G N -0.383 108.338 108.800 -0.132 0.000 2.440 289 G HA2 -0.244 3.714 3.960 -0.003 0.000 0.218 289 G HA3 -0.244 3.714 3.960 -0.003 0.000 0.218 289 G C 1.542 176.283 174.900 -0.264 0.000 1.154 289 G CA 0.654 45.598 45.100 -0.260 0.000 0.767 289 G HN 0.233 nan 8.290 nan 0.000 0.552 290 I N 1.858 122.273 120.570 -0.258 0.000 2.361 290 I HA -0.198 3.971 4.170 -0.003 0.000 0.251 290 I C 3.101 179.066 176.117 -0.254 0.000 1.133 290 I CA 1.375 62.443 61.300 -0.387 0.000 1.413 290 I CB -0.120 37.558 38.000 -0.537 0.000 1.073 290 I HN 0.336 nan 8.210 nan 0.000 0.424 291 S N 1.070 116.680 115.700 -0.150 0.000 2.419 291 S HA -0.142 4.326 4.470 -0.003 0.000 0.233 291 S C 1.941 176.526 174.600 -0.025 0.000 1.016 291 S CA 0.907 59.093 58.200 -0.024 0.000 0.974 291 S CB -0.740 62.445 63.200 -0.025 0.000 0.786 291 S HN 0.451 nan 8.310 nan 0.000 0.492 292 L N 0.137 121.255 121.223 -0.175 0.000 2.093 292 L HA 0.008 4.346 4.340 -0.003 0.000 0.208 292 L C 2.602 179.183 176.870 -0.480 0.000 1.085 292 L CA 1.036 55.598 54.840 -0.463 0.000 0.755 292 L CB -0.579 41.288 42.059 -0.320 0.000 0.904 292 L HN 0.348 nan 8.230 nan 0.000 0.435 293 L N -1.175 119.872 121.223 -0.293 0.000 2.046 293 L HA -0.224 4.115 4.340 -0.003 0.000 0.208 293 L C 2.352 179.019 176.870 -0.339 0.000 1.077 293 L CA 1.840 56.500 54.840 -0.300 0.000 0.747 293 L CB -0.577 41.169 42.059 -0.521 0.000 0.896 293 L HN 0.081 nan 8.230 nan 0.000 0.432 294 Y N -1.316 118.777 120.300 -0.346 0.000 2.242 294 Y HA -0.197 4.352 4.550 -0.003 0.000 0.291 294 Y C 2.305 178.085 175.900 -0.200 0.000 1.137 294 Y CA 1.521 59.452 58.100 -0.281 0.000 1.181 294 Y CB -0.296 38.035 38.460 -0.214 0.000 0.989 294 Y HN 0.259 nan 8.280 nan 0.000 0.527 295 L N -1.064 120.039 121.223 -0.200 0.000 1.994 295 L HA -0.237 4.102 4.340 -0.003 0.000 0.208 295 L C 1.839 178.495 176.870 -0.357 0.000 1.071 295 L CA 1.915 56.507 54.840 -0.413 0.000 0.745 295 L CB -0.945 40.568 42.059 -0.910 0.000 0.892 295 L HN 0.150 nan 8.230 nan 0.000 0.431 296 Y N -0.203 119.902 120.300 -0.325 0.000 2.220 296 Y HA 0.098 4.646 4.550 -0.002 0.000 0.291 296 Y C 2.530 178.441 175.900 0.018 0.000 1.129 296 Y CA 0.590 58.462 58.100 -0.380 0.000 1.161 296 Y CB -1.566 36.790 38.460 -0.174 0.000 0.997 296 Y HN 0.206 nan 8.280 nan 0.000 0.522 297 G N -0.035 108.849 108.800 0.140 0.000 2.459 297 G HA2 -0.232 3.727 3.960 -0.003 0.000 0.217 297 G HA3 -0.232 3.727 3.960 -0.003 0.000 0.217 297 G C 2.127 177.212 174.900 0.309 0.000 1.183 297 G CA 1.087 46.285 45.100 0.164 0.000 0.776 297 G HN 0.514 nan 8.290 nan 0.000 0.552 298 G N 0.876 109.861 108.800 0.309 0.000 2.476 298 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.218 298 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.218 298 G C 1.825 176.862 174.900 0.229 0.000 1.164 298 G CA 0.990 46.295 45.100 0.342 0.000 0.768 298 G HN 0.430 nan 8.290 nan 0.000 0.560 299 L N 0.309 121.646 121.223 0.190 0.000 2.156 299 L HA 0.103 4.441 4.340 -0.003 0.000 0.208 299 L C 3.298 180.399 176.870 0.384 0.000 1.095 299 L CA 0.830 55.823 54.840 0.254 0.000 0.770 299 L CB -0.265 41.930 42.059 0.227 0.000 0.914 299 L HN 0.317 nan 8.230 nan 0.000 0.439 300 A N -0.242 122.859 122.820 0.467 0.000 1.970 300 A HA 0.024 4.343 4.320 -0.003 0.000 0.216 300 A C 2.062 179.820 177.584 0.290 0.000 1.170 300 A CA 0.842 53.155 52.037 0.461 0.000 0.645 300 A CB -0.288 19.025 19.000 0.521 0.000 0.816 300 A HN 0.362 nan 8.150 nan 0.000 0.447 301 L N -1.040 120.318 121.223 0.225 0.000 2.592 301 L HA 0.083 4.422 4.340 -0.003 0.000 0.227 301 L C 0.163 177.101 176.870 0.114 0.000 1.127 301 L CA 0.177 55.100 54.840 0.138 0.000 0.884 301 L CB -0.064 42.102 42.059 0.179 0.000 1.065 301 L HN 0.314 nan 8.230 nan 0.000 0.457 302 D N 1.669 122.153 120.400 0.140 0.000 2.716 302 D HA -0.215 4.424 4.640 -0.003 0.000 0.239 302 D C -0.173 176.158 176.300 0.051 0.000 1.125 302 D CA 0.431 54.490 54.000 0.098 0.000 0.681 302 D CB -0.757 40.091 40.800 0.080 0.000 1.070 302 D HN 0.284 nan 8.370 nan 0.000 0.432 303 N N 1.177 119.906 118.700 0.048 0.000 2.558 303 N HA 0.093 4.832 4.740 -0.003 0.000 0.242 303 N C 0.632 176.157 175.510 0.025 0.000 0.979 303 N CA -0.401 52.612 53.050 -0.061 0.000 0.931 303 N CB 0.969 39.248 38.487 -0.347 0.000 1.122 303 N HN -0.063 nan 8.380 nan 0.000 0.508 304 D N 1.498 121.926 120.400 0.047 0.000 2.221 304 D HA -0.206 4.433 4.640 -0.003 0.000 0.204 304 D C 1.221 177.605 176.300 0.139 0.000 0.982 304 D CA 1.068 55.121 54.000 0.089 0.000 0.857 304 D CB 0.186 41.032 40.800 0.078 0.000 0.934 304 D HN 0.667 nan 8.370 nan 0.000 0.475 305 Y N 0.828 121.132 120.300 0.007 0.000 2.163 305 Y HA -0.230 4.319 4.550 -0.003 0.000 0.288 305 Y C 2.005 178.070 175.900 0.274 0.000 1.136 305 Y CA 1.329 59.480 58.100 0.084 0.000 1.147 305 Y CB -0.476 37.991 38.460 0.013 0.000 0.987 305 Y HN -0.211 nan 8.280 nan 0.000 0.509 306 F N -0.098 119.907 119.950 0.092 0.000 2.095 306 F HA -0.231 4.294 4.527 -0.003 0.000 0.298 306 F C 2.553 178.379 175.800 0.044 0.000 1.104 306 F CA 1.320 59.368 58.000 0.080 0.000 1.232 306 F CB -1.475 37.622 39.000 0.163 0.000 0.987 306 F HN -0.021 nan 8.300 nan 0.000 0.475 307 V N 0.192 120.246 119.914 0.234 0.000 2.261 307 V HA -0.282 3.836 4.120 -0.003 0.000 0.246 307 V C 2.161 178.310 176.094 0.091 0.000 1.047 307 V CA 2.123 64.493 62.300 0.116 0.000 1.015 307 V CB -0.646 31.226 31.823 0.083 0.000 0.642 307 V HN 0.190 nan 8.190 nan 0.000 0.446 308 D N -0.227 120.217 120.400 0.072 0.000 2.149 308 D HA -0.199 4.440 4.640 -0.003 0.000 0.198 308 D C 2.176 178.477 176.300 0.001 0.000 0.990 308 D CA 1.517 55.546 54.000 0.048 0.000 0.839 308 D CB -0.132 40.705 40.800 0.062 0.000 0.948 308 D HN 0.452 nan 8.370 nan 0.000 0.460 309 K N 0.392 120.747 120.400 -0.076 0.000 2.167 309 K HA 0.039 4.357 4.320 -0.003 0.000 0.203 309 K C 2.007 178.525 176.600 -0.136 0.000 1.052 309 K CA 0.795 56.995 56.287 -0.145 0.000 0.956 309 K CB 0.088 32.394 32.500 -0.324 0.000 0.735 309 K HN -0.021 nan 8.250 nan 0.000 0.451 310 A N 1.320 124.133 122.820 -0.013 0.000 1.908 310 A HA -0.240 4.079 4.320 -0.003 0.000 0.218 310 A C 1.942 179.620 177.584 0.156 0.000 1.181 310 A CA 1.888 53.978 52.037 0.089 0.000 0.627 310 A CB -0.578 18.545 19.000 0.205 0.000 0.818 310 A HN 0.498 nan 8.150 nan 0.000 0.445 311 E N -0.320 120.021 120.200 0.234 0.000 2.085 311 E HA -0.209 4.139 4.350 -0.003 0.000 0.194 311 E C 2.043 178.627 176.600 -0.027 0.000 0.994 311 E CA 1.603 58.137 56.400 0.223 0.000 0.801 311 E CB -0.068 29.757 29.700 0.209 0.000 0.743 311 E HN 0.639 nan 8.360 nan 0.000 0.453 312 K N 0.011 120.292 120.400 -0.199 0.000 2.097 312 K HA -0.094 4.225 4.320 -0.003 0.000 0.205 312 K C 2.135 178.234 176.600 -0.835 0.000 1.050 312 K CA 0.995 56.975 56.287 -0.511 0.000 0.938 312 K CB -0.063 32.083 32.500 -0.590 0.000 0.718 312 K HN 0.180 nan 8.250 nan 0.000 0.442 313 I N 0.908 121.103 120.570 -0.625 0.000 2.226 313 I HA -0.279 3.890 4.170 -0.003 0.000 0.245 313 I C 2.299 178.260 176.117 -0.260 0.000 1.100 313 I CA 0.831 61.892 61.300 -0.397 0.000 1.374 313 I CB -0.130 37.796 38.000 -0.123 0.000 1.057 313 I HN 0.121 nan 8.210 nan 0.000 0.413 314 L N 0.640 121.697 121.223 -0.276 0.000 2.095 314 L HA -0.125 4.214 4.340 -0.003 0.000 0.204 314 L C 2.361 179.134 176.870 -0.162 0.000 1.080 314 L CA 1.725 56.363 54.840 -0.337 0.000 0.759 314 L CB -0.644 40.943 42.059 -0.787 0.000 0.914 314 L HN 0.158 nan 8.230 nan 0.000 0.439 315 E N -0.992 119.225 120.200 0.028 0.000 2.070 315 E HA -0.284 4.065 4.350 -0.003 0.000 0.197 315 E C 2.264 178.829 176.600 -0.059 0.000 1.004 315 E CA 1.612 58.050 56.400 0.064 0.000 0.805 315 E CB -0.201 29.456 29.700 -0.072 0.000 0.744 315 E HN 0.557 nan 8.360 nan 0.000 0.451 316 S N -0.741 114.871 115.700 -0.146 0.000 2.356 316 S HA -0.183 4.285 4.470 -0.003 0.000 0.223 316 S C 1.943 176.526 174.600 -0.029 0.000 1.032 316 S CA 1.289 59.445 58.200 -0.073 0.000 1.005 316 S CB -0.272 62.868 63.200 -0.100 0.000 0.867 316 S HN 0.441 nan 8.310 nan 0.000 0.449 317 A N 1.640 124.423 122.820 -0.061 0.000 1.930 317 A HA -0.007 4.311 4.320 -0.003 0.000 0.217 317 A C 2.194 179.726 177.584 -0.087 0.000 1.175 317 A CA 1.531 53.542 52.037 -0.044 0.000 0.627 317 A CB -0.533 18.434 19.000 -0.055 0.000 0.815 317 A HN 0.528 nan 8.150 nan 0.000 0.443 318 M N -0.309 119.169 119.600 -0.203 0.000 2.159 318 M HA -0.177 4.301 4.480 -0.003 0.000 0.263 318 M C 2.135 178.304 176.300 -0.219 0.000 1.063 318 M CA 1.415 56.481 55.300 -0.390 0.000 1.110 318 M CB -1.566 30.444 32.600 -0.983 0.000 1.374 318 M HN 0.537 nan 8.290 nan 0.000 0.411 319 Q N -0.789 118.979 119.800 -0.053 0.000 2.119 319 Q HA -0.128 4.211 4.340 -0.003 0.000 0.201 319 Q C 2.283 178.323 176.000 0.066 0.000 0.972 319 Q CA 1.217 57.081 55.803 0.101 0.000 0.847 319 Q CB -0.038 28.763 28.738 0.105 0.000 0.903 319 Q HN 0.468 nan 8.270 nan 0.000 0.433 320 R N 0.789 121.308 120.500 0.032 0.000 2.105 320 R HA 0.002 4.341 4.340 -0.003 0.000 0.214 320 R C 0.031 176.344 176.300 0.022 0.000 1.091 320 R CA 0.434 56.553 56.100 0.031 0.000 1.007 320 R CB 0.396 30.718 30.300 0.038 0.000 0.912 320 R HN -0.052 nan 8.270 nan 0.000 0.450 321 K N 0.910 121.324 120.400 0.023 0.000 3.156 321 K HA -0.184 4.135 4.320 -0.003 0.000 0.266 321 K C -0.901 175.718 176.600 0.033 0.000 0.966 321 K CA 0.088 56.391 56.287 0.028 0.000 0.719 321 K CB -1.497 30.988 32.500 -0.025 0.000 1.333 321 K HN 0.083 nan 8.250 nan 0.000 0.468 322 L N 1.076 122.330 121.223 0.051 0.000 2.534 322 L HA 0.113 4.451 4.340 -0.003 0.000 0.271 322 L C 1.474 178.408 176.870 0.106 0.000 1.178 322 L CA 2.108 56.983 54.840 0.058 0.000 0.907 322 L CB 0.219 42.318 42.059 0.066 0.000 1.164 322 L HN 0.600 nan 8.230 nan 0.000 0.482 323 G N 4.410 113.273 108.800 0.104 0.000 2.153 323 G HA2 -0.234 3.725 3.960 -0.003 0.000 0.252 323 G HA3 -0.234 3.725 3.960 -0.003 0.000 0.252 323 G C 0.376 175.370 174.900 0.157 0.000 0.994 323 G CA 0.012 45.235 45.100 0.205 0.000 0.698 323 G HN 0.454 nan 8.290 nan 0.000 0.521 324 I N 1.774 122.394 120.570 0.083 0.000 2.337 324 I HA 0.286 4.454 4.170 -0.003 0.000 0.291 324 I C 0.380 176.492 176.117 -0.008 0.000 1.046 324 I CA 0.382 61.707 61.300 0.042 0.000 1.324 324 I CB 1.159 39.160 38.000 0.002 0.000 1.409 324 I HN 0.338 nan 8.210 nan 0.000 0.494 325 D N 2.680 123.080 120.400 0.001 0.000 2.636 325 D HA 0.108 4.746 4.640 -0.003 0.000 0.270 325 D C 0.069 176.334 176.300 -0.059 0.000 1.430 325 D CA -0.289 53.692 54.000 -0.031 0.000 0.796 325 D CB 0.304 41.112 40.800 0.014 0.000 1.117 325 D HN 0.380 nan 8.370 nan 0.000 0.480 326 S N -1.482 114.159 115.700 -0.098 0.000 2.688 326 S HA 0.472 4.940 4.470 -0.003 0.000 0.275 326 S C -0.789 173.706 174.600 -0.176 0.000 1.175 326 S CA -0.780 57.349 58.200 -0.118 0.000 0.818 326 S CB 0.539 63.674 63.200 -0.109 0.000 1.157 326 S HN -0.059 nan 8.310 nan 0.000 0.482 327 Y N 1.425 121.742 120.300 0.028 0.000 2.524 327 Y HA 0.360 4.909 4.550 -0.002 0.000 0.266 327 Y C 1.122 177.183 175.900 0.270 0.000 1.180 327 Y CA -0.620 57.621 58.100 0.236 0.000 1.244 327 Y CB 0.011 38.676 38.460 0.341 0.000 1.125 327 Y HN 0.676 nan 8.280 nan 0.000 0.524 328 M N -1.756 117.971 119.600 0.213 0.000 2.207 328 M HA 0.152 4.631 4.480 -0.003 0.000 0.311 328 M C 0.725 177.038 176.300 0.022 0.000 1.127 328 M CA 0.564 55.963 55.300 0.164 0.000 1.181 328 M CB 0.754 33.355 32.600 0.002 0.000 1.409 328 M HN 0.136 nan 8.290 nan 0.000 0.461 329 I N 0.304 120.810 120.570 -0.105 0.000 2.193 329 I HA -0.192 3.976 4.170 -0.003 0.000 0.240 329 I C 2.557 178.559 176.117 -0.191 0.000 1.084 329 I CA 1.172 62.343 61.300 -0.214 0.000 1.365 329 I CB -0.245 37.475 38.000 -0.467 0.000 1.064 329 I HN 1.048 nan 8.210 nan 0.000 0.410 330 C N 1.354 120.519 119.300 -0.224 0.000 2.413 330 C HA -0.188 4.270 4.460 -0.003 0.000 0.278 330 C C 2.067 177.156 174.990 0.165 0.000 1.224 330 C CA 1.358 60.354 59.018 -0.037 0.000 1.732 330 C CB -1.026 26.670 27.740 -0.074 0.000 2.050 330 C HN 0.595 nan 8.230 nan 0.000 0.463 331 H N -1.726 117.421 119.070 0.127 0.000 2.767 331 H HA 0.433 4.987 4.556 -0.002 0.000 0.235 331 H C 0.305 175.684 175.328 0.086 0.000 1.256 331 H CA 0.269 56.393 56.048 0.128 0.000 0.957 331 H CB -0.847 28.991 29.762 0.126 0.000 2.117 331 H HN 0.500 nan 8.280 nan 0.000 0.602 332 G N -0.144 108.674 108.800 0.030 0.000 3.108 332 G HA2 0.184 4.143 3.960 -0.003 0.000 0.268 332 G HA3 0.184 4.143 3.960 -0.003 0.000 0.268 332 G C -0.451 174.493 174.900 0.073 0.000 1.361 332 G CA -0.757 44.367 45.100 0.040 0.000 1.047 332 G HN 0.150 nan 8.290 nan 0.000 0.540 333 Y N 0.216 120.445 120.300 -0.118 0.000 2.373 333 Y HA -0.007 4.541 4.550 -0.003 0.000 0.293 333 Y C 3.014 178.878 175.900 -0.060 0.000 1.129 333 Y CA 1.888 59.914 58.100 -0.124 0.000 1.226 333 Y CB 0.025 38.315 38.460 -0.282 0.000 1.000 333 Y HN 0.331 nan 8.280 nan 0.000 0.549 334 S N -0.298 115.448 115.700 0.076 0.000 2.382 334 S HA -0.168 4.301 4.470 -0.003 0.000 0.228 334 S C 2.297 176.800 174.600 -0.161 0.000 1.027 334 S CA 1.096 59.273 58.200 -0.039 0.000 0.991 334 S CB -0.986 62.352 63.200 0.230 0.000 0.823 334 S HN 0.703 nan 8.310 nan 0.000 0.469 335 G N 1.916 110.651 108.800 -0.109 0.000 2.491 335 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.218 335 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.218 335 G C 1.272 176.083 174.900 -0.149 0.000 1.180 335 G CA 0.927 45.959 45.100 -0.114 0.000 0.774 335 G HN 0.379 nan 8.290 nan 0.000 0.562 336 L N 0.647 121.746 121.223 -0.206 0.000 2.042 336 L HA -0.052 4.286 4.340 -0.003 0.000 0.210 336 L C 2.784 179.396 176.870 -0.429 0.000 1.076 336 L CA 0.993 55.653 54.840 -0.301 0.000 0.749 336 L CB -0.449 41.413 42.059 -0.328 0.000 0.893 336 L HN 0.145 nan 8.230 nan 0.000 0.432 337 I N -0.865 119.360 120.570 -0.575 0.000 2.315 337 I HA -0.219 3.949 4.170 -0.003 0.000 0.248 337 I C 2.511 178.474 176.117 -0.257 0.000 1.117 337 I CA 1.077 62.044 61.300 -0.555 0.000 1.404 337 I CB -0.846 36.556 38.000 -0.998 0.000 1.071 337 I HN 0.326 nan 8.210 nan 0.000 0.419 338 E N 1.402 121.478 120.200 -0.206 0.000 2.072 338 E HA -0.151 4.198 4.350 -0.003 0.000 0.191 338 E C 2.177 178.692 176.600 -0.142 0.000 0.985 338 E CA 1.111 57.440 56.400 -0.119 0.000 0.801 338 E CB -0.247 29.415 29.700 -0.064 0.000 0.750 338 E HN 0.453 nan 8.360 nan 0.000 0.452 339 I N -0.207 120.268 120.570 -0.158 0.000 2.208 339 I HA -0.370 3.798 4.170 -0.003 0.000 0.245 339 I C 2.262 178.264 176.117 -0.191 0.000 1.097 339 I CA 0.942 62.165 61.300 -0.128 0.000 1.363 339 I CB -0.348 37.574 38.000 -0.131 0.000 1.051 339 I HN 0.247 nan 8.210 nan 0.000 0.413 340 C N -0.374 118.691 119.300 -0.390 0.000 2.411 340 C HA -0.159 4.300 4.460 -0.003 0.000 0.279 340 C C 3.267 178.179 174.990 -0.130 0.000 1.288 340 C CA 1.396 60.087 59.018 -0.544 0.000 1.764 340 C CB -1.055 26.392 27.740 -0.489 0.000 1.974 340 C HN 0.548 nan 8.230 nan 0.000 0.498 341 S N 0.117 115.794 115.700 -0.038 0.000 2.406 341 S HA -0.078 4.391 4.470 -0.003 0.000 0.228 341 S C 1.718 176.328 174.600 0.016 0.000 1.020 341 S CA 0.973 59.193 58.200 0.033 0.000 0.965 341 S CB -0.288 62.879 63.200 -0.056 0.000 0.798 341 S HN 0.560 nan 8.310 nan 0.000 0.488 342 L N 0.380 121.601 121.223 -0.003 0.000 2.056 342 L HA 0.096 4.435 4.340 -0.003 0.000 0.207 342 L C 1.870 178.768 176.870 0.046 0.000 1.078 342 L CA 1.767 56.606 54.840 -0.001 0.000 0.749 342 L CB -0.660 41.378 42.059 -0.034 0.000 0.901 342 L HN 0.282 nan 8.230 nan 0.000 0.433 343 F N 0.584 120.462 119.950 -0.120 0.000 2.091 343 F HA -0.266 4.260 4.527 -0.003 0.000 0.299 343 F C 2.638 178.469 175.800 0.052 0.000 1.103 343 F CA 2.166 60.133 58.000 -0.054 0.000 1.228 343 F CB -0.592 38.347 39.000 -0.102 0.000 0.984 343 F HN 0.106 nan 8.300 nan 0.000 0.477 344 K N 0.147 120.710 120.400 0.271 0.000 2.148 344 K HA -0.190 4.129 4.320 -0.003 0.000 0.204 344 K C 2.338 179.009 176.600 0.118 0.000 1.050 344 K CA 1.135 57.550 56.287 0.212 0.000 0.942 344 K CB -0.060 32.570 32.500 0.217 0.000 0.724 344 K HN 0.110 nan 8.250 nan 0.000 0.446 345 R N 0.284 120.830 120.500 0.076 0.000 2.090 345 R HA 0.018 4.356 4.340 -0.003 0.000 0.228 345 R C 2.067 178.391 176.300 0.040 0.000 1.110 345 R CA 1.006 57.129 56.100 0.039 0.000 0.973 345 R CB 0.054 30.357 30.300 0.006 0.000 0.869 345 R HN 0.209 nan 8.270 nan 0.000 0.440 346 L N -0.482 120.758 121.223 0.028 0.000 2.298 346 L HA 0.073 4.411 4.340 -0.003 0.000 0.209 346 L C 1.612 178.496 176.870 0.023 0.000 1.084 346 L CA 0.554 55.405 54.840 0.019 0.000 0.816 346 L CB 0.151 42.185 42.059 -0.041 0.000 0.967 346 L HN 0.235 nan 8.230 nan 0.000 0.460 347 L N -1.543 119.701 121.223 0.036 0.000 2.672 347 L HA 0.194 4.533 4.340 -0.003 0.000 0.236 347 L C 0.119 177.035 176.870 0.076 0.000 1.092 347 L CA 0.017 54.891 54.840 0.056 0.000 0.887 347 L CB 0.059 42.163 42.059 0.074 0.000 1.168 347 L HN 0.245 nan 8.230 nan 0.000 0.502 348 N N -0.185 118.567 118.700 0.085 0.000 2.725 348 N HA -0.186 4.552 4.740 -0.003 0.000 0.249 348 N C 0.347 175.911 175.510 0.089 0.000 1.103 348 N CA 0.918 54.017 53.050 0.081 0.000 0.707 348 N CB -1.122 37.400 38.487 0.058 0.000 1.043 348 N HN 0.295 nan 8.380 nan 0.000 0.553 349 T N -0.652 113.978 114.554 0.128 0.000 2.899 349 T HA 0.254 4.602 4.350 -0.003 0.000 0.295 349 T C 0.978 175.737 174.700 0.098 0.000 1.033 349 T CA -0.010 62.157 62.100 0.112 0.000 1.084 349 T CB 0.852 69.817 68.868 0.161 0.000 0.979 349 T HN 0.170 nan 8.240 nan 0.000 0.532 350 K N 2.160 122.573 120.400 0.022 0.000 2.374 350 K HA 0.204 4.522 4.320 -0.003 0.000 0.202 350 K C 1.901 178.458 176.600 -0.071 0.000 1.040 350 K CA -0.206 56.089 56.287 0.012 0.000 1.085 350 K CB 0.391 32.894 32.500 0.005 0.000 0.873 350 K HN 0.514 nan 8.250 nan 0.000 0.539 351 K N 0.255 120.517 120.400 -0.230 0.000 2.286 351 K HA -0.117 4.201 4.320 -0.003 0.000 0.203 351 K C 0.399 176.651 176.600 -0.580 0.000 1.045 351 K CA 1.384 57.354 56.287 -0.529 0.000 0.935 351 K CB -0.008 31.931 32.500 -0.936 0.000 0.737 351 K HN 0.106 nan 8.250 nan 0.000 0.460 352 F N -0.939 119.081 119.950 0.118 0.000 2.729 352 F HA 0.150 4.675 4.527 -0.003 0.000 0.315 352 F C 0.956 176.862 175.800 0.176 0.000 1.102 352 F CA -0.501 57.636 58.000 0.228 0.000 1.204 352 F CB 0.424 39.494 39.000 0.116 0.000 1.052 352 F HN -0.164 nan 8.300 nan 0.000 0.551 353 D N 0.511 121.019 120.400 0.181 0.000 2.182 353 D HA -0.162 4.476 4.640 -0.003 0.000 0.201 353 D C 2.312 178.646 176.300 0.057 0.000 0.986 353 D CA 1.961 56.031 54.000 0.117 0.000 0.847 353 D CB -0.140 40.696 40.800 0.060 0.000 0.942 353 D HN 0.301 nan 8.370 nan 0.000 0.467 354 S N -0.738 114.936 115.700 -0.043 0.000 2.406 354 S HA -0.118 4.351 4.470 -0.003 0.000 0.224 354 S C 2.037 176.587 174.600 -0.084 0.000 1.030 354 S CA 0.262 58.385 58.200 -0.127 0.000 0.958 354 S CB -0.716 62.330 63.200 -0.257 0.000 0.811 354 S HN 0.214 nan 8.310 nan 0.000 0.489 355 Y N 2.334 122.704 120.300 0.118 0.000 2.145 355 Y HA 0.025 4.573 4.550 -0.003 0.000 0.286 355 Y C 2.862 178.838 175.900 0.126 0.000 1.145 355 Y CA 1.089 59.284 58.100 0.158 0.000 1.148 355 Y CB -0.672 37.889 38.460 0.169 0.000 0.981 355 Y HN 0.178 nan 8.280 nan 0.000 0.507 356 M N -0.181 119.559 119.600 0.233 0.000 2.117 356 M HA -0.189 4.289 4.480 -0.003 0.000 0.262 356 M C 1.967 178.261 176.300 -0.009 0.000 1.065 356 M CA 1.557 56.890 55.300 0.054 0.000 1.114 356 M CB -1.183 31.472 32.600 0.091 0.000 1.361 356 M HN 0.329 nan 8.290 nan 0.000 0.408 357 E N 0.411 120.630 120.200 0.032 0.000 2.058 357 E HA -0.215 4.133 4.350 -0.003 0.000 0.194 357 E C 2.058 178.680 176.600 0.036 0.000 0.997 357 E CA 1.402 57.807 56.400 0.008 0.000 0.801 357 E CB -0.084 29.622 29.700 0.011 0.000 0.746 357 E HN 0.508 nan 8.360 nan 0.000 0.450 358 E N -0.236 120.020 120.200 0.093 0.000 2.077 358 E HA -0.209 4.139 4.350 -0.003 0.000 0.193 358 E C 1.841 178.549 176.600 0.180 0.000 0.989 358 E CA 0.902 57.377 56.400 0.125 0.000 0.800 358 E CB -0.108 29.689 29.700 0.161 0.000 0.746 358 E HN 0.214 nan 8.360 nan 0.000 0.452 359 F N 1.548 121.554 119.950 0.094 0.000 2.134 359 F HA -0.158 4.367 4.527 -0.002 0.000 0.299 359 F C 1.669 177.455 175.800 -0.023 0.000 1.097 359 F CA 1.920 59.991 58.000 0.119 0.000 1.264 359 F CB -0.189 38.883 39.000 0.119 0.000 1.001 359 F HN -0.012 nan 8.300 nan 0.000 0.479 360 N N -0.447 118.204 118.700 -0.081 0.000 2.270 360 N HA -0.115 4.623 4.740 -0.003 0.000 0.181 360 N C 1.800 177.220 175.510 -0.149 0.000 1.016 360 N CA 1.052 53.977 53.050 -0.210 0.000 0.870 360 N CB -0.110 38.257 38.487 -0.200 0.000 0.979 360 N HN 0.144 nan 8.380 nan 0.000 0.431 361 V N 1.386 121.250 119.914 -0.082 0.000 2.407 361 V HA -0.180 3.938 4.120 -0.003 0.000 0.248 361 V C 1.263 177.306 176.094 -0.086 0.000 1.055 361 V CA 1.376 63.641 62.300 -0.059 0.000 1.049 361 V CB -0.345 31.465 31.823 -0.021 0.000 0.662 361 V HN 0.434 nan 8.190 nan 0.000 0.455 362 N N -0.055 118.575 118.700 -0.116 0.000 2.383 362 N HA -0.017 4.721 4.740 -0.003 0.000 0.192 362 N C 1.964 177.319 175.510 -0.258 0.000 1.141 362 N CA 0.903 53.866 53.050 -0.145 0.000 0.851 362 N CB 0.263 38.700 38.487 -0.083 0.000 0.976 362 N HN 0.632 nan 8.380 nan 0.000 0.465 363 S N 1.475 116.999 115.700 -0.294 0.000 2.368 363 S HA -0.180 4.289 4.470 -0.003 0.000 0.225 363 S C 1.811 176.267 174.600 -0.241 0.000 1.030 363 S CA 0.994 58.981 58.200 -0.356 0.000 0.999 363 S CB -0.155 62.873 63.200 -0.287 0.000 0.844 363 S HN 0.339 nan 8.310 nan 0.000 0.459 364 E N 1.994 122.099 120.200 -0.158 0.000 2.058 364 E HA -0.294 4.055 4.350 -0.003 0.000 0.194 364 E C 2.172 178.707 176.600 -0.107 0.000 0.997 364 E CA 1.819 58.154 56.400 -0.107 0.000 0.801 364 E CB -1.079 28.577 29.700 -0.073 0.000 0.746 364 E HN 0.820 nan 8.360 nan 0.000 0.450 365 Q N 0.522 120.248 119.800 -0.123 0.000 2.079 365 Q HA -0.065 4.274 4.340 -0.003 0.000 0.200 365 Q C 2.576 178.487 176.000 -0.148 0.000 0.974 365 Q CA 1.295 57.033 55.803 -0.108 0.000 0.840 365 Q CB -0.102 28.579 28.738 -0.095 0.000 0.898 365 Q HN 0.378 nan 8.270 nan 0.000 0.430 366 I N 0.818 121.219 120.570 -0.282 0.000 2.151 366 I HA -0.363 3.806 4.170 -0.003 0.000 0.243 366 I C 2.288 178.337 176.117 -0.114 0.000 1.080 366 I CA 1.229 62.280 61.300 -0.415 0.000 1.339 366 I CB -0.303 37.269 38.000 -0.712 0.000 1.039 366 I HN 0.303 nan 8.210 nan 0.000 0.409 367 L N -0.033 121.138 121.223 -0.088 0.000 2.056 367 L HA -0.191 4.148 4.340 -0.003 0.000 0.207 367 L C 2.650 179.543 176.870 0.039 0.000 1.078 367 L CA 1.397 56.231 54.840 -0.011 0.000 0.749 367 L CB -0.628 41.393 42.059 -0.063 0.000 0.901 367 L HN 0.352 nan 8.230 nan 0.000 0.433 368 E N 0.604 120.806 120.200 0.003 0.000 2.106 368 E HA -0.204 4.144 4.350 -0.003 0.000 0.192 368 E C 1.486 178.111 176.600 0.042 0.000 0.984 368 E CA 1.006 57.415 56.400 0.016 0.000 0.806 368 E CB 0.211 29.907 29.700 -0.007 0.000 0.750 368 E HN 0.532 nan 8.360 nan 0.000 0.458 369 E N -0.555 119.668 120.200 0.039 0.000 2.489 369 E HA -0.034 4.315 4.350 -0.003 0.000 0.193 369 E C -0.385 176.259 176.600 0.074 0.000 1.057 369 E CA -0.332 56.093 56.400 0.043 0.000 0.866 369 E CB 0.090 29.802 29.700 0.021 0.000 0.916 369 E HN 0.217 nan 8.360 nan 0.000 0.500 370 Y N 1.871 122.176 120.300 0.008 0.000 2.620 370 Y HA 0.068 4.616 4.550 -0.002 0.000 0.330 370 Y C 1.253 177.173 175.900 0.034 0.000 1.186 370 Y CA 0.013 58.136 58.100 0.037 0.000 1.467 370 Y CB 0.591 39.065 38.460 0.023 0.000 1.262 370 Y HN -0.040 nan 8.280 nan 0.000 0.550 371 G N 2.864 111.671 108.800 0.012 0.000 2.562 371 G HA2 0.120 4.079 3.960 -0.003 0.000 0.233 371 G HA3 0.120 4.079 3.960 -0.003 0.000 0.233 371 G C 0.672 175.670 174.900 0.162 0.000 1.266 371 G CA 0.146 45.285 45.100 0.066 0.000 0.852 371 G HN 0.944 nan 8.290 nan 0.000 0.581 372 D N 0.217 120.675 120.400 0.096 0.000 2.355 372 D HA 0.063 4.701 4.640 -0.003 0.000 0.218 372 D C 1.881 178.226 176.300 0.075 0.000 1.004 372 D CA 1.199 55.248 54.000 0.082 0.000 0.880 372 D CB -0.142 40.684 40.800 0.043 0.000 0.911 372 D HN 0.634 nan 8.370 nan 0.000 0.528 373 E N 0.263 120.505 120.200 0.069 0.000 2.208 373 E HA -0.036 4.312 4.350 -0.003 0.000 0.193 373 E C 2.110 178.750 176.600 0.067 0.000 0.988 373 E CA 1.219 57.650 56.400 0.051 0.000 0.828 373 E CB 0.318 30.037 29.700 0.031 0.000 0.763 373 E HN 0.603 nan 8.360 nan 0.000 0.478 374 S N -0.828 114.935 115.700 0.105 0.000 2.572 374 S HA 0.432 4.901 4.470 -0.003 0.000 0.228 374 S C 0.886 175.572 174.600 0.142 0.000 0.963 374 S CA -0.167 58.106 58.200 0.122 0.000 0.939 374 S CB 0.412 63.688 63.200 0.127 0.000 0.804 374 S HN 0.317 nan 8.310 nan 0.000 0.480 375 G N 1.851 110.726 108.800 0.125 0.000 2.741 375 G HA2 -0.246 3.713 3.960 -0.003 0.000 0.222 375 G HA3 -0.246 3.713 3.960 -0.003 0.000 0.222 375 G C 0.473 175.445 174.900 0.120 0.000 1.364 375 G CA 0.147 45.311 45.100 0.106 0.000 0.866 375 G HN 0.991 nan 8.290 nan 0.000 0.555 376 T N -1.434 113.203 114.554 0.138 0.000 3.060 376 T HA 0.514 4.863 4.350 -0.003 0.000 0.249 376 T C 1.536 176.326 174.700 0.151 0.000 1.079 376 T CA 1.308 63.498 62.100 0.150 0.000 1.013 376 T CB 0.133 69.162 68.868 0.268 0.000 0.975 376 T HN 1.950 nan 8.240 nan 0.000 0.518 377 G N 0.354 109.259 108.800 0.176 0.000 2.651 377 G HA2 0.388 4.347 3.960 -0.003 0.000 0.260 377 G HA3 0.388 4.347 3.960 -0.003 0.000 0.260 377 G C 0.258 175.235 174.900 0.128 0.000 1.216 377 G CA -0.540 44.657 45.100 0.161 0.000 0.913 377 G HN 0.153 nan 8.290 nan 0.000 0.535 378 F N 0.511 120.465 119.950 0.006 0.000 2.084 378 F HA -0.044 4.482 4.527 -0.002 0.000 0.296 378 F C 2.238 178.059 175.800 0.035 0.000 1.111 378 F CA 1.534 59.530 58.000 -0.007 0.000 1.224 378 F CB -0.241 38.753 39.000 -0.010 0.000 0.991 378 F HN 0.264 nan 8.300 nan 0.000 0.471 379 L N 0.255 121.397 121.223 -0.135 0.000 2.109 379 L HA -0.046 4.292 4.340 -0.003 0.000 0.207 379 L C 1.710 178.440 176.870 -0.232 0.000 1.086 379 L CA 2.001 56.661 54.840 -0.300 0.000 0.760 379 L CB -0.594 41.498 42.059 0.055 0.000 0.910 379 L HN 0.324 nan 8.230 nan 0.000 0.437 380 E N -1.848 118.307 120.200 -0.075 0.000 2.508 380 E HA 0.235 4.584 4.350 -0.003 0.000 0.217 380 E C 0.855 177.518 176.600 0.106 0.000 0.896 380 E CA 0.336 56.722 56.400 -0.024 0.000 1.118 380 E CB 0.460 30.164 29.700 0.007 0.000 1.133 380 E HN 0.442 nan 8.360 nan 0.000 0.526 381 G N 0.966 109.817 108.800 0.085 0.000 2.537 381 G HA2 0.227 4.185 3.960 -0.003 0.000 0.297 381 G HA3 0.227 4.185 3.960 -0.003 0.000 0.297 381 G C 0.567 175.421 174.900 -0.076 0.000 1.310 381 G CA -0.588 44.585 45.100 0.121 0.000 1.027 381 G HN 0.078 nan 8.290 nan 0.000 0.505 382 I N -0.064 120.319 120.570 -0.312 0.000 2.676 382 I HA -0.125 4.044 4.170 -0.003 0.000 0.259 382 I C 2.802 178.691 176.117 -0.379 0.000 1.194 382 I CA 1.494 62.328 61.300 -0.777 0.000 1.473 382 I CB 0.114 37.697 38.000 -0.696 0.000 1.096 382 I HN 0.521 nan 8.210 nan 0.000 0.443 383 S N 0.097 115.687 115.700 -0.182 0.000 2.423 383 S HA -0.073 4.396 4.470 -0.003 0.000 0.231 383 S C 2.111 176.643 174.600 -0.113 0.000 1.014 383 S CA 0.865 58.990 58.200 -0.126 0.000 0.965 383 S CB -0.941 62.220 63.200 -0.064 0.000 0.785 383 S HN 0.499 nan 8.310 nan 0.000 0.495 384 G N 0.664 109.401 108.800 -0.105 0.000 2.421 384 G HA2 -0.250 3.709 3.960 -0.003 0.000 0.216 384 G HA3 -0.250 3.709 3.960 -0.003 0.000 0.216 384 G C 1.793 176.614 174.900 -0.131 0.000 1.171 384 G CA 0.871 45.877 45.100 -0.156 0.000 0.775 384 G HN 0.644 nan 8.290 nan 0.000 0.543 385 C N 0.301 119.537 119.300 -0.106 0.000 2.425 385 C HA 0.075 4.534 4.460 -0.003 0.000 0.277 385 C C 2.901 177.885 174.990 -0.010 0.000 1.280 385 C CA 0.784 59.811 59.018 0.015 0.000 1.744 385 C CB -1.046 26.697 27.740 0.005 0.000 1.989 385 C HN 0.458 nan 8.230 nan 0.000 0.491 386 I N 0.386 120.885 120.570 -0.119 0.000 2.315 386 I HA -0.179 3.990 4.170 -0.003 0.000 0.248 386 I C 2.457 178.484 176.117 -0.150 0.000 1.117 386 I CA 1.305 62.536 61.300 -0.115 0.000 1.404 386 I CB -0.374 37.539 38.000 -0.145 0.000 1.071 386 I HN 0.355 nan 8.210 nan 0.000 0.419 387 L N -0.143 120.913 121.223 -0.279 0.000 1.989 387 L HA -0.252 4.087 4.340 -0.003 0.000 0.211 387 L C 2.609 179.259 176.870 -0.366 0.000 1.071 387 L CA 1.384 55.881 54.840 -0.571 0.000 0.749 387 L CB -0.599 40.790 42.059 -1.117 0.000 0.890 387 L HN 0.059 nan 8.230 nan 0.000 0.431 388 V N 0.076 119.920 119.914 -0.117 0.000 2.231 388 V HA -0.344 3.775 4.120 -0.003 0.000 0.248 388 V C 2.384 178.665 176.094 0.311 0.000 1.054 388 V CA 2.103 64.515 62.300 0.187 0.000 1.015 388 V CB -0.520 31.492 31.823 0.315 0.000 0.638 388 V HN 0.344 nan 8.190 nan 0.000 0.444 389 L N 0.882 122.306 121.223 0.336 0.000 2.042 389 L HA -0.209 4.130 4.340 -0.003 0.000 0.210 389 L C 2.775 179.794 176.870 0.250 0.000 1.076 389 L CA 2.022 57.075 54.840 0.356 0.000 0.749 389 L CB -0.897 41.246 42.059 0.140 0.000 0.893 389 L HN 0.590 nan 8.230 nan 0.000 0.432 390 S N -0.500 115.261 115.700 0.101 0.000 2.383 390 S HA -0.166 4.302 4.470 -0.003 0.000 0.229 390 S C 1.919 176.584 174.600 0.108 0.000 1.030 390 S CA 0.867 59.112 58.200 0.075 0.000 1.002 390 S CB -0.225 62.968 63.200 -0.011 0.000 0.829 390 S HN 0.289 nan 8.310 nan 0.000 0.467 391 K N 0.274 120.707 120.400 0.054 0.000 2.418 391 K HA 0.245 4.563 4.320 -0.003 0.000 0.195 391 K C 1.352 177.895 176.600 -0.094 0.000 1.035 391 K CA 0.251 56.535 56.287 -0.004 0.000 1.003 391 K CB -0.537 31.977 32.500 0.023 0.000 0.793 391 K HN 0.478 nan 8.250 nan 0.000 0.494 392 F N 1.939 121.965 119.950 0.126 0.000 2.128 392 F HA -0.072 4.454 4.527 -0.003 0.000 0.295 392 F C 2.384 178.241 175.800 0.094 0.000 1.100 392 F CA 1.059 59.126 58.000 0.112 0.000 1.260 392 F CB -0.231 38.859 39.000 0.150 0.000 1.009 392 F HN 0.018 nan 8.300 nan 0.000 0.476 393 E N -1.089 119.288 120.200 0.294 0.000 2.085 393 E HA -0.219 4.130 4.350 -0.003 0.000 0.194 393 E C -0.273 176.474 176.600 0.245 0.000 0.994 393 E CA 1.248 57.782 56.400 0.223 0.000 0.801 393 E CB -0.154 29.658 29.700 0.188 0.000 0.743 393 E HN 0.396 nan 8.360 nan 0.000 0.453 394 Y N -0.049 120.292 120.300 0.068 0.000 2.400 394 Y HA 0.064 4.613 4.550 -0.002 0.000 0.335 394 Y C 0.785 176.661 175.900 -0.040 0.000 1.066 394 Y CA -0.395 57.722 58.100 0.029 0.000 1.285 394 Y CB 0.993 39.488 38.460 0.058 0.000 1.103 394 Y HN -0.146 nan 8.280 nan 0.000 0.490 395 S N 3.855 119.345 115.700 -0.349 0.000 2.522 395 S HA 0.086 4.555 4.470 -0.003 0.000 0.227 395 S C 0.596 174.998 174.600 -0.330 0.000 0.986 395 S CA 0.170 58.213 58.200 -0.262 0.000 0.929 395 S CB -0.296 62.786 63.200 -0.196 0.000 0.769 395 S HN 0.579 nan 8.310 nan 0.000 0.529 396 I N 3.189 123.439 120.570 -0.533 0.000 2.598 396 I HA 0.046 4.215 4.170 -0.003 0.000 0.284 396 I C 0.180 175.973 176.117 -0.540 0.000 1.140 396 I CA 0.075 61.086 61.300 -0.483 0.000 1.420 396 I CB 0.211 37.922 38.000 -0.482 0.000 1.387 396 I HN 0.304 nan 8.210 nan 0.000 0.553 397 N N 6.519 124.984 118.700 -0.393 0.000 2.414 397 N HA 0.144 4.882 4.740 -0.003 0.000 0.256 397 N C 0.200 175.481 175.510 -0.383 0.000 1.029 397 N CA -0.286 52.584 53.050 -0.299 0.000 0.948 397 N CB 0.987 39.386 38.487 -0.147 0.000 1.102 397 N HN 0.446 nan 8.380 nan 0.000 0.496 398 F N 0.237 120.147 119.950 -0.067 0.000 2.615 398 F HA -0.023 4.502 4.527 -0.002 0.000 0.297 398 F C 1.902 177.508 175.800 -0.322 0.000 1.124 398 F CA 0.159 58.071 58.000 -0.147 0.000 1.451 398 F CB -0.059 38.867 39.000 -0.123 0.000 1.103 398 F HN 0.312 nan 8.300 nan 0.000 0.569 399 T N -4.362 110.086 114.554 -0.178 0.000 2.888 399 T HA 0.359 4.707 4.350 -0.003 0.000 0.288 399 T C -0.441 174.112 174.700 -0.245 0.000 1.063 399 T CA -0.518 61.427 62.100 -0.260 0.000 1.010 399 T CB 1.155 69.924 68.868 -0.165 0.000 1.214 399 T HN 0.006 nan 8.240 nan 0.000 0.533 400 Y N 1.118 121.465 120.300 0.078 0.000 2.683 400 Y HA 0.228 4.776 4.550 -0.003 0.000 0.297 400 Y C 1.740 177.624 175.900 -0.027 0.000 1.147 400 Y CA -1.368 56.744 58.100 0.021 0.000 1.274 400 Y CB -0.070 38.426 38.460 0.059 0.000 1.143 400 Y HN 0.724 nan 8.280 nan 0.000 0.527 401 W N 0.659 121.920 121.300 -0.065 0.000 2.325 401 W HA -0.236 4.423 4.660 -0.003 0.000 0.299 401 W C 0.980 177.414 176.519 -0.143 0.000 1.215 401 W CA 1.205 58.441 57.345 -0.183 0.000 1.244 401 W CB -0.935 28.383 29.460 -0.237 0.000 1.140 401 W HN 0.156 nan 8.180 nan 0.000 0.523 402 R N 0.839 120.787 120.500 -0.921 0.000 2.193 402 R HA -0.186 4.152 4.340 -0.003 0.000 0.229 402 R C 2.312 178.364 176.300 -0.415 0.000 1.110 402 R CA 1.869 57.416 56.100 -0.922 0.000 0.988 402 R CB -0.442 29.283 30.300 -0.959 0.000 0.871 402 R HN 0.198 nan 8.270 nan 0.000 0.458 403 Q N 0.585 120.266 119.800 -0.199 0.000 2.170 403 Q HA -0.083 4.255 4.340 -0.003 0.000 0.203 403 Q C 1.832 177.815 176.000 -0.027 0.000 0.976 403 Q CA 1.712 57.491 55.803 -0.040 0.000 0.858 403 Q CB -0.088 28.722 28.738 0.120 0.000 0.907 403 Q HN 0.365 nan 8.270 nan 0.000 0.433 404 A N -0.584 122.200 122.820 -0.059 0.000 2.121 404 A HA -0.028 4.291 4.320 -0.003 0.000 0.218 404 A C 1.466 179.153 177.584 0.170 0.000 1.154 404 A CA 0.850 52.883 52.037 -0.006 0.000 0.679 404 A CB -0.207 18.662 19.000 -0.217 0.000 0.795 404 A HN 0.422 nan 8.150 nan 0.000 0.458 405 L N -0.941 120.286 121.223 0.006 0.000 2.728 405 L HA 0.299 4.637 4.340 -0.003 0.000 0.238 405 L C -0.061 176.896 176.870 0.145 0.000 1.143 405 L CA -0.244 54.592 54.840 -0.007 0.000 0.937 405 L CB 0.112 41.949 42.059 -0.370 0.000 1.225 405 L HN 0.293 nan 8.230 nan 0.000 0.507 406 L N 0.335 121.466 121.223 -0.154 0.000 3.717 406 L HA -0.231 4.108 4.340 -0.003 0.000 0.411 406 L C -0.351 175.947 176.870 -0.953 0.000 1.233 406 L CA 0.337 54.755 54.840 -0.703 0.000 0.917 406 L CB -1.952 40.012 42.059 -0.159 0.000 1.902 406 L HN 0.260 nan 8.230 nan 0.000 0.894 407 L N 0.855 121.640 121.223 -0.729 0.000 2.272 407 L HA 0.404 4.743 4.340 -0.003 0.000 0.284 407 L C -0.069 176.498 176.870 -0.504 0.000 1.045 407 L CA -0.207 54.345 54.840 -0.479 0.000 0.842 407 L CB 0.471 42.315 42.059 -0.358 0.000 1.224 407 L HN -0.029 nan 8.230 nan 0.000 0.430 408 F N 1.589 121.473 119.950 -0.111 0.000 2.309 408 F HA 0.222 4.748 4.527 -0.003 0.000 0.366 408 F C 1.229 177.019 175.800 -0.016 0.000 1.104 408 F CA -0.898 56.980 58.000 -0.205 0.000 1.179 408 F CB 0.266 38.978 39.000 -0.480 0.000 1.437 408 F HN 0.390 nan 8.300 nan 0.000 0.528 409 D N 0.824 121.291 120.400 0.111 0.000 2.309 409 D HA -0.146 4.492 4.640 -0.003 0.000 0.212 409 D C 1.509 177.890 176.300 0.136 0.000 0.968 409 D CA 1.166 55.213 54.000 0.079 0.000 0.882 409 D CB -0.078 40.715 40.800 -0.011 0.000 0.918 409 D HN 0.516 nan 8.370 nan 0.000 0.503 410 D N -1.067 119.449 120.400 0.195 0.000 2.340 410 D HA -0.076 4.562 4.640 -0.003 0.000 0.217 410 D C 1.577 177.988 176.300 0.184 0.000 1.081 410 D CA -0.396 53.703 54.000 0.167 0.000 0.842 410 D CB -0.935 39.954 40.800 0.149 0.000 0.934 410 D HN 0.121 nan 8.370 nan 0.000 0.511 411 F N 1.027 121.061 119.950 0.140 0.000 2.192 411 F HA -0.021 4.505 4.527 -0.002 0.000 0.301 411 F C 1.508 177.357 175.800 0.083 0.000 1.079 411 F CA 1.312 59.393 58.000 0.134 0.000 1.303 411 F CB 0.213 39.309 39.000 0.159 0.000 1.024 411 F HN -0.052 nan 8.300 nan 0.000 0.494 412 L N -0.381 120.995 121.223 0.254 0.000 2.818 412 L HA 0.115 4.454 4.340 -0.003 0.000 0.243 412 L C 1.245 178.153 176.870 0.063 0.000 1.185 412 L CA -0.162 54.771 54.840 0.155 0.000 0.988 412 L CB -0.087 42.073 42.059 0.170 0.000 1.292 412 L HN -0.187 nan 8.230 nan 0.000 0.519 413 K N 0.775 121.196 120.400 0.035 0.000 2.400 413 K HA 0.315 4.633 4.320 -0.003 0.000 0.194 413 K C 1.117 177.697 176.600 -0.034 0.000 1.033 413 K CA 0.675 56.966 56.287 0.008 0.000 1.021 413 K CB 0.493 33.004 32.500 0.019 0.000 0.808 413 K HN 0.344 nan 8.250 nan 0.000 0.505 414 G N -0.127 108.627 108.800 -0.076 0.000 2.466 414 G HA2 -0.094 3.865 3.960 -0.003 0.000 0.218 414 G HA3 -0.094 3.865 3.960 -0.003 0.000 0.218 414 G C -0.021 174.785 174.900 -0.156 0.000 1.237 414 G CA -0.532 44.500 45.100 -0.112 0.000 0.954 414 G HN 0.505 nan 8.290 nan 0.000 0.580 415 G N 0.000 108.712 108.800 -0.147 0.000 5.446 415 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 415 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 415 G CA 0.000 44.998 45.100 -0.170 0.000 0.502 415 G HN 0.000 nan 8.290 nan 0.000 0.925