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 2obg_1_A DATA FIRST_RESID 7 DATA SEQUENCE LVIWINGDKG YNGLAEVGKK FEKDTGIKVT VEHPDKLEEK FPQVAATGDG DATA SEQUENCE PDIIFWAHDR FGGYAQSGLL AEITPDKAFQ DKLYPFTWDA VRYNGKLIAY DATA SEQUENCE PIAVEALSLI YNKDLLPNPP KTWEEIPALD KELKAKGKSA LMFNLQEPYF DATA SEQUENCE TWPLIAADGG YAFKYENGKY DIKDVGVDNA GAKAGLTFLV DLIKNKHMNA DATA SEQUENCE DTDYSIAEAA FNKGETAMTI NGPWAWSNID TSKVNYGVTV LPTFKGQPSK DATA SEQUENCE PFVGVLSAGI NAASPNKELA KEFLENYLLT DEGLEAVNKD KPLGAVALKS DATA SEQUENCE YEEELAKDPR IAATMENAQK GEIMPNIPQM SAFWYAVRTA VINAASGRQT DATA SEQUENCE VDEALKDAQT RITKXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXGSSVPT DATA SEQUENCE NLEVVAATPT SLLISWDASY SSSVSYYRIT YGETGGNSPV QEFTVPGSKS DATA SEQUENCE TATISGLKPG VDYTITVYAY SYYYYYYSSP ISINYRT 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 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.788 176.870 -0.136 0.000 1.165 7 L CA 0.000 54.758 54.840 -0.137 0.000 0.813 7 L CB 0.000 41.889 42.059 -0.283 0.000 0.961 8 V N 4.679 124.519 119.914 -0.124 0.000 2.417 8 V HA 0.565 4.685 4.120 -0.000 0.000 0.291 8 V C -0.129 175.919 176.094 -0.077 0.000 1.024 8 V CA -0.252 62.003 62.300 -0.076 0.000 0.861 8 V CB 1.979 33.761 31.823 -0.069 0.000 0.985 8 V HN 0.439 nan 8.190 nan 0.000 0.436 9 I N 3.791 124.384 120.570 0.038 0.000 2.465 9 I HA 0.431 4.601 4.170 -0.000 0.000 0.291 9 I C -1.250 175.118 176.117 0.418 0.000 1.014 9 I CA -0.420 60.967 61.300 0.145 0.000 1.093 9 I CB 2.216 40.270 38.000 0.090 0.000 1.267 9 I HN 0.516 nan 8.210 nan 0.000 0.431 10 W N 7.459 128.852 121.300 0.155 0.000 2.329 10 W HA 0.639 5.299 4.660 -0.000 0.000 0.312 10 W C -0.420 176.275 176.519 0.293 0.000 1.054 10 W CA -0.916 56.531 57.345 0.170 0.000 1.245 10 W CB 1.187 30.726 29.460 0.131 0.000 1.255 10 W HN 0.209 nan 8.180 nan 0.000 0.436 11 I N 3.283 124.084 120.570 0.384 0.000 2.828 11 I HA 0.337 4.507 4.170 -0.000 0.000 0.302 11 I C 0.057 176.320 176.117 0.243 0.000 1.101 11 I CA -0.901 60.579 61.300 0.301 0.000 1.031 11 I CB 1.633 39.657 38.000 0.040 0.000 1.231 11 I HN 0.182 nan 8.210 nan 0.000 0.427 12 N N 3.000 121.855 118.700 0.258 0.000 2.415 12 N HA 0.171 4.911 4.740 -0.000 0.000 0.248 12 N C 0.969 176.561 175.510 0.137 0.000 1.271 12 N CA 1.051 54.233 53.050 0.220 0.000 0.913 12 N CB 1.406 39.993 38.487 0.166 0.000 1.129 12 N HN 0.741 nan 8.380 nan 0.000 0.444 13 G N 0.420 109.281 108.800 0.102 0.000 2.471 13 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 13 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 13 G C 0.770 175.753 174.900 0.139 0.000 1.125 13 G CA 0.862 45.981 45.100 0.032 0.000 0.775 13 G HN 0.811 nan 8.290 nan 0.000 0.548 14 D N -0.082 120.368 120.400 0.084 0.000 2.355 14 D HA 0.026 4.665 4.640 -0.000 0.000 0.218 14 D C 0.954 177.267 176.300 0.022 0.000 1.004 14 D CA 0.327 54.353 54.000 0.043 0.000 0.880 14 D CB 0.111 40.916 40.800 0.008 0.000 0.911 14 D HN 0.045 nan 8.370 nan 0.000 0.528 15 K N 0.189 120.620 120.400 0.052 0.000 2.109 15 K HA 0.477 4.797 4.320 -0.000 0.000 0.243 15 K C 0.870 177.454 176.600 -0.027 0.000 1.006 15 K CA -0.569 55.723 56.287 0.008 0.000 0.917 15 K CB 0.909 33.408 32.500 -0.002 0.000 1.081 15 K HN 0.054 nan 8.250 nan 0.000 0.468 16 G N 1.951 110.704 108.800 -0.079 0.000 3.102 16 G HA2 0.041 4.001 3.960 -0.000 0.000 0.264 16 G HA3 0.041 4.001 3.960 -0.000 0.000 0.264 16 G C 0.824 175.642 174.900 -0.137 0.000 0.788 16 G CA -0.093 44.918 45.100 -0.148 0.000 2.029 16 G HN 0.625 nan 8.290 nan 0.000 0.608 17 Y N -0.297 119.946 120.300 -0.096 0.000 2.293 17 Y HA -0.087 4.463 4.550 -0.000 0.000 0.291 17 Y C 2.030 177.911 175.900 -0.031 0.000 1.137 17 Y CA 1.147 59.201 58.100 -0.075 0.000 1.202 17 Y CB -0.517 37.893 38.460 -0.084 0.000 0.990 17 Y HN 0.370 nan 8.280 nan 0.000 0.537 18 N N 0.641 119.208 118.700 -0.221 0.000 2.216 18 N HA -0.043 4.697 4.740 -0.000 0.000 0.183 18 N C 2.167 177.660 175.510 -0.030 0.000 1.017 18 N CA 1.001 54.001 53.050 -0.083 0.000 0.861 18 N CB -0.444 37.937 38.487 -0.178 0.000 0.986 18 N HN 0.555 nan 8.380 nan 0.000 0.428 19 G N 1.039 109.800 108.800 -0.064 0.000 2.408 19 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 19 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 19 G C 1.403 176.312 174.900 0.014 0.000 1.150 19 G CA 0.336 45.419 45.100 -0.028 0.000 0.776 19 G HN 0.146 nan 8.290 nan 0.000 0.542 20 L N 1.376 122.612 121.223 0.023 0.000 2.141 20 L HA 0.213 4.553 4.340 -0.000 0.000 0.209 20 L C 2.952 179.914 176.870 0.154 0.000 1.094 20 L CA 1.790 56.680 54.840 0.084 0.000 0.763 20 L CB -0.626 41.449 42.059 0.027 0.000 0.908 20 L HN 0.228 nan 8.230 nan 0.000 0.437 21 A N -1.047 121.846 122.820 0.123 0.000 2.015 21 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 21 A C 2.129 179.787 177.584 0.122 0.000 1.163 21 A CA 1.512 53.627 52.037 0.130 0.000 0.646 21 A CB -0.454 18.621 19.000 0.125 0.000 0.806 21 A HN 0.598 nan 8.150 nan 0.000 0.448 22 E N -0.361 119.896 120.200 0.096 0.000 2.152 22 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 22 E C 1.853 178.520 176.600 0.113 0.000 0.983 22 E CA 1.053 57.504 56.400 0.085 0.000 0.818 22 E CB -0.150 29.581 29.700 0.051 0.000 0.758 22 E HN 0.424 nan 8.360 nan 0.000 0.467 23 V N 0.784 120.777 119.914 0.131 0.000 2.427 23 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 23 V C 2.327 178.588 176.094 0.279 0.000 1.051 23 V CA 1.878 64.263 62.300 0.142 0.000 1.048 23 V CB -0.864 30.989 31.823 0.049 0.000 0.666 23 V HN 0.386 nan 8.190 nan 0.000 0.456 24 G N 0.111 109.136 108.800 0.375 0.000 2.408 24 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 24 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 24 G C 1.841 176.894 174.900 0.255 0.000 1.150 24 G CA 1.400 46.729 45.100 0.381 0.000 0.776 24 G HN 0.558 nan 8.290 nan 0.000 0.542 25 K N 0.394 120.899 120.400 0.175 0.000 2.057 25 K HA 0.020 4.340 4.320 -0.000 0.000 0.207 25 K C 2.627 179.297 176.600 0.115 0.000 1.049 25 K CA 2.383 58.743 56.287 0.123 0.000 0.931 25 K CB -1.228 31.328 32.500 0.093 0.000 0.714 25 K HN 0.625 nan 8.250 nan 0.000 0.440 26 K N 0.005 120.487 120.400 0.137 0.000 2.097 26 K HA 0.066 4.386 4.320 -0.000 0.000 0.205 26 K C 2.056 178.711 176.600 0.092 0.000 1.050 26 K CA 1.526 57.896 56.287 0.137 0.000 0.938 26 K CB -0.929 31.683 32.500 0.187 0.000 0.718 26 K HN 0.531 nan 8.250 nan 0.000 0.442 27 F N 1.498 121.366 119.950 -0.137 0.000 2.171 27 F HA -0.066 4.461 4.527 -0.000 0.000 0.300 27 F C 2.389 178.085 175.800 -0.173 0.000 1.090 27 F CA 2.058 59.809 58.000 -0.414 0.000 1.293 27 F CB 0.118 38.966 39.000 -0.254 0.000 1.013 27 F HN 0.459 nan 8.300 nan 0.000 0.486 28 E N -0.058 120.169 120.200 0.045 0.000 2.152 28 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 28 E C 1.974 178.539 176.600 -0.059 0.000 0.983 28 E CA 0.745 57.138 56.400 -0.010 0.000 0.818 28 E CB -0.056 29.686 29.700 0.070 0.000 0.758 28 E HN 0.127 nan 8.360 nan 0.000 0.467 29 K N 0.930 121.316 120.400 -0.023 0.000 2.360 29 K HA -0.151 4.169 4.320 -0.000 0.000 0.201 29 K C 0.162 176.742 176.600 -0.033 0.000 1.046 29 K CA 1.604 57.886 56.287 -0.008 0.000 0.945 29 K CB 0.122 32.640 32.500 0.030 0.000 0.750 29 K HN 0.318 nan 8.250 nan 0.000 0.464 30 D N -3.576 116.770 120.400 -0.091 0.000 2.692 30 D HA 0.087 4.727 4.640 -0.000 0.000 0.290 30 D C 0.069 176.258 176.300 -0.185 0.000 1.455 30 D CA -0.218 53.728 54.000 -0.091 0.000 0.796 30 D CB 0.603 41.395 40.800 -0.013 0.000 1.131 30 D HN -0.048 nan 8.370 nan 0.000 0.467 31 T N -2.597 111.803 114.554 -0.258 0.000 3.073 31 T HA 0.353 4.703 4.350 -0.000 0.000 0.264 31 T C 1.672 176.274 174.700 -0.163 0.000 0.893 31 T CA -0.058 61.871 62.100 -0.284 0.000 0.863 31 T CB 1.054 69.569 68.868 -0.587 0.000 1.247 31 T HN 0.362 nan 8.240 nan 0.000 0.546 32 G N 2.178 110.905 108.800 -0.121 0.000 2.168 32 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.263 32 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.263 32 G C 0.021 174.902 174.900 -0.032 0.000 0.977 32 G CA -0.092 44.974 45.100 -0.057 0.000 0.659 32 G HN 0.513 nan 8.290 nan 0.000 0.533 33 I N 1.293 121.838 120.570 -0.042 0.000 2.312 33 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 33 I C 0.815 176.994 176.117 0.104 0.000 1.031 33 I CA -0.809 60.521 61.300 0.050 0.000 1.293 33 I CB 1.150 39.234 38.000 0.141 0.000 1.403 33 I HN 0.057 nan 8.210 nan 0.000 0.484 34 K N 6.279 126.721 120.400 0.070 0.000 2.383 34 K HA 0.272 4.592 4.320 -0.000 0.000 0.286 34 K C -0.625 176.008 176.600 0.055 0.000 1.051 34 K CA -0.312 56.011 56.287 0.061 0.000 0.974 34 K CB 0.501 33.021 32.500 0.034 0.000 0.968 34 K HN 0.413 nan 8.250 nan 0.000 0.475 35 V N 5.253 125.201 119.914 0.056 0.000 2.328 35 V HA 0.357 4.477 4.120 -0.000 0.000 0.278 35 V C 0.321 176.412 176.094 -0.006 0.000 1.021 35 V CA -0.567 61.718 62.300 -0.025 0.000 0.838 35 V CB 1.436 33.214 31.823 -0.076 0.000 0.999 35 V HN 1.039 nan 8.190 nan 0.000 0.447 36 T N 2.369 116.915 114.554 -0.014 0.000 2.758 36 T HA 0.689 5.039 4.350 -0.000 0.000 0.285 36 T C -0.617 174.113 174.700 0.049 0.000 0.981 36 T CA -0.666 61.451 62.100 0.027 0.000 0.965 36 T CB 1.453 70.342 68.868 0.036 0.000 0.927 36 T HN 0.212 nan 8.240 nan 0.000 0.448 37 V N 4.073 124.034 119.914 0.079 0.000 2.350 37 V HA 0.418 4.538 4.120 -0.000 0.000 0.276 37 V C 0.083 176.247 176.094 0.117 0.000 1.028 37 V CA -0.603 61.769 62.300 0.119 0.000 0.860 37 V CB 0.796 32.702 31.823 0.138 0.000 0.990 37 V HN 0.942 nan 8.190 nan 0.000 0.453 38 E N 2.925 123.207 120.200 0.138 0.000 2.227 38 E HA 0.551 4.901 4.350 -0.000 0.000 0.268 38 E C -0.978 175.547 176.600 -0.124 0.000 0.907 38 E CA -0.771 55.603 56.400 -0.043 0.000 0.786 38 E CB 1.762 31.438 29.700 -0.040 0.000 1.191 38 E HN 0.966 nan 8.360 nan 0.000 0.411 39 H N -0.446 118.427 119.070 -0.327 0.000 2.340 39 H HA 0.345 4.901 4.556 -0.000 0.000 0.233 39 H C -2.587 172.520 175.328 -0.369 0.000 1.435 39 H CA -2.389 53.453 56.048 -0.343 0.000 1.389 39 H CB -0.364 29.128 29.762 -0.450 0.000 1.491 39 H HN 0.189 nan 8.280 nan 0.000 0.518 40 P HA 0.049 nan 4.420 nan 0.000 0.272 40 P C -0.165 176.953 177.300 -0.303 0.000 1.230 40 P CA -0.289 62.492 63.100 -0.532 0.000 0.788 40 P CB 1.155 32.362 31.700 -0.822 0.000 0.949 41 D N 1.952 122.226 120.400 -0.209 0.000 2.443 41 D HA -0.016 4.624 4.640 -0.000 0.000 0.239 41 D C 0.719 176.950 176.300 -0.114 0.000 1.136 41 D CA 0.350 54.286 54.000 -0.107 0.000 0.879 41 D CB 0.192 40.944 40.800 -0.080 0.000 1.195 41 D HN 0.287 nan 8.370 nan 0.000 0.443 42 K N 1.315 121.684 120.400 -0.052 0.000 3.156 42 K HA -0.204 4.115 4.320 -0.000 0.000 0.266 42 K C 1.217 177.744 176.600 -0.121 0.000 0.966 42 K CA 0.163 56.413 56.287 -0.060 0.000 0.719 42 K CB -1.678 30.793 32.500 -0.048 0.000 1.333 42 K HN 0.457 nan 8.250 nan 0.000 0.468 43 L N -0.475 120.657 121.223 -0.152 0.000 2.201 43 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 43 L C 2.263 179.073 176.870 -0.101 0.000 1.105 43 L CA 2.002 56.750 54.840 -0.154 0.000 0.775 43 L CB -0.429 41.548 42.059 -0.138 0.000 0.913 43 L HN 0.306 nan 8.230 nan 0.000 0.440 44 E N 1.000 120.920 120.200 -0.467 0.000 2.204 44 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 44 E C 1.589 178.120 176.600 -0.115 0.000 0.990 44 E CA 1.804 57.859 56.400 -0.574 0.000 0.821 44 E CB -0.362 28.472 29.700 -1.444 0.000 0.750 44 E HN 0.826 nan 8.360 nan 0.000 0.477 45 E N 0.349 120.497 120.200 -0.087 0.000 2.102 45 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 45 E C 2.010 178.635 176.600 0.042 0.000 0.971 45 E CA 0.484 56.884 56.400 -0.001 0.000 0.821 45 E CB 0.097 29.785 29.700 -0.020 0.000 0.777 45 E HN 0.005 nan 8.360 nan 0.000 0.460 46 K N 0.985 121.414 120.400 0.050 0.000 2.009 46 K HA -0.180 4.140 4.320 -0.000 0.000 0.210 46 K C 1.727 178.449 176.600 0.203 0.000 1.049 46 K CA 1.174 57.533 56.287 0.119 0.000 0.929 46 K CB -0.589 31.965 32.500 0.091 0.000 0.714 46 K HN 0.043 nan 8.250 nan 0.000 0.440 47 F N 2.174 122.202 119.950 0.130 0.000 2.043 47 F HA -0.202 4.325 4.527 -0.000 0.000 0.297 47 F C -1.091 174.562 175.800 -0.246 0.000 1.118 47 F CA 1.768 59.726 58.000 -0.070 0.000 1.202 47 F CB -1.016 37.811 39.000 -0.288 0.000 0.965 47 F HN 0.148 nan 8.300 nan 0.000 0.482 48 P HA -0.174 nan 4.420 nan 0.000 0.221 48 P C 1.152 178.287 177.300 -0.276 0.000 1.150 48 P CA 1.667 64.546 63.100 -0.368 0.000 0.800 48 P CB -0.264 31.402 31.700 -0.056 0.000 0.787 49 Q N 0.003 119.709 119.800 -0.157 0.000 2.124 49 Q HA -0.084 4.255 4.340 -0.000 0.000 0.202 49 Q C 2.126 178.035 176.000 -0.152 0.000 0.977 49 Q CA 1.916 57.654 55.803 -0.107 0.000 0.850 49 Q CB -0.443 28.273 28.738 -0.036 0.000 0.901 49 Q HN 0.274 nan 8.270 nan 0.000 0.429 50 V N -4.040 115.747 119.914 -0.212 0.000 3.307 50 V HA 0.280 4.400 4.120 -0.000 0.000 0.253 50 V C 1.893 177.761 176.094 -0.377 0.000 1.149 50 V CA 0.723 62.885 62.300 -0.230 0.000 1.112 50 V CB -0.341 31.397 31.823 -0.142 0.000 0.777 50 V HN 0.194 nan 8.190 nan 0.000 0.464 51 A N 1.510 123.966 122.820 -0.608 0.000 1.841 51 A HA 0.127 4.447 4.320 -0.000 0.000 0.214 51 A C 2.468 179.789 177.584 -0.438 0.000 1.195 51 A CA 2.359 53.958 52.037 -0.730 0.000 0.611 51 A CB -1.207 17.010 19.000 -1.305 0.000 0.835 51 A HN 0.893 nan 8.150 nan 0.000 0.443 52 A N -0.317 122.282 122.820 -0.367 0.000 1.933 52 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 52 A C 1.942 179.407 177.584 -0.198 0.000 1.175 52 A CA 2.018 53.906 52.037 -0.249 0.000 0.628 52 A CB -1.373 17.500 19.000 -0.212 0.000 0.814 52 A HN 0.853 nan 8.150 nan 0.000 0.444 53 T N -3.287 111.152 114.554 -0.193 0.000 3.624 53 T HA 0.433 4.783 4.350 -0.000 0.000 0.231 53 T C 1.202 175.813 174.700 -0.148 0.000 0.865 53 T CA 0.728 62.740 62.100 -0.146 0.000 0.926 53 T CB -0.580 68.217 68.868 -0.117 0.000 1.189 53 T HN 1.612 nan 8.240 nan 0.000 0.640 54 G N 0.898 109.600 108.800 -0.163 0.000 2.257 54 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.267 54 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.267 54 G C 0.109 174.917 174.900 -0.154 0.000 0.984 54 G CA 0.481 45.495 45.100 -0.143 0.000 0.626 54 G HN 0.608 nan 8.290 nan 0.000 0.540 55 D N 0.214 120.507 120.400 -0.178 0.000 2.541 55 D HA 0.570 5.209 4.640 -0.000 0.000 0.276 55 D C 1.078 177.205 176.300 -0.288 0.000 1.190 55 D CA 0.934 54.825 54.000 -0.183 0.000 1.095 55 D CB 0.516 41.240 40.800 -0.126 0.000 1.173 55 D HN 1.400 nan 8.370 nan 0.000 0.604 56 G N 0.381 108.978 108.800 -0.339 0.000 2.756 56 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.678 56 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.678 56 G C -2.825 171.710 174.900 -0.608 0.000 1.349 56 G CA -0.749 43.978 45.100 -0.621 0.000 0.847 56 G HN 0.363 nan 8.290 nan 0.000 0.548 57 P HA 0.397 nan 4.420 nan 0.000 0.278 57 P C 0.092 177.208 177.300 -0.308 0.000 1.266 57 P CA -0.347 62.385 63.100 -0.614 0.000 0.807 57 P CB 0.984 32.159 31.700 -0.875 0.000 1.094 58 D N -0.334 119.936 120.400 -0.217 0.000 2.162 58 D HA 0.007 4.647 4.640 -0.000 0.000 0.203 58 D C 0.908 177.127 176.300 -0.136 0.000 0.967 58 D CA 1.466 55.374 54.000 -0.153 0.000 0.840 58 D CB 0.186 40.904 40.800 -0.137 0.000 0.972 58 D HN 0.367 nan 8.370 nan 0.000 0.482 59 I N -1.251 119.235 120.570 -0.140 0.000 2.647 59 I HA 0.439 4.609 4.170 -0.000 0.000 0.295 59 I C -1.471 174.600 176.117 -0.076 0.000 1.078 59 I CA -0.962 60.266 61.300 -0.120 0.000 1.048 59 I CB 3.029 40.965 38.000 -0.106 0.000 1.239 59 I HN -0.241 nan 8.210 nan 0.000 0.421 60 I N 6.272 126.752 120.570 -0.150 0.000 2.465 60 I HA 0.510 4.680 4.170 -0.000 0.000 0.291 60 I C -1.615 174.592 176.117 0.151 0.000 1.014 60 I CA -0.692 60.597 61.300 -0.019 0.000 1.093 60 I CB 1.307 39.025 38.000 -0.470 0.000 1.267 60 I HN 0.584 nan 8.210 nan 0.000 0.431 61 F N 7.801 127.957 119.950 0.344 0.000 2.404 61 F HA 0.502 5.029 4.527 -0.000 0.000 0.354 61 F C -0.401 175.696 175.800 0.495 0.000 1.122 61 F CA -0.092 58.130 58.000 0.370 0.000 1.080 61 F CB 1.130 40.281 39.000 0.252 0.000 1.131 61 F HN 0.415 nan 8.300 nan 0.000 0.471 62 W N 2.056 123.493 121.300 0.228 0.000 3.059 62 W HA 0.591 5.251 4.660 -0.000 0.000 0.329 62 W C -1.273 175.076 176.519 -0.284 0.000 1.246 62 W CA -1.399 55.980 57.345 0.057 0.000 1.190 62 W CB 1.555 31.170 29.460 0.257 0.000 1.423 62 W HN 0.595 nan 8.180 nan 0.000 0.571 63 A N 1.604 124.058 122.820 -0.610 0.000 2.561 63 A HA -0.042 4.278 4.320 -0.000 0.000 0.234 63 A C 0.968 178.393 177.584 -0.264 0.000 1.055 63 A CA 1.295 53.116 52.037 -0.359 0.000 0.756 63 A CB -0.218 18.554 19.000 -0.380 0.000 0.986 63 A HN 0.828 nan 8.150 nan 0.000 0.505 64 H N 0.624 119.496 119.070 -0.329 0.000 2.521 64 H HA -0.085 4.471 4.556 -0.000 0.000 0.286 64 H C 0.891 176.183 175.328 -0.061 0.000 1.034 64 H CA 1.342 57.219 56.048 -0.285 0.000 1.278 64 H CB -0.082 29.595 29.762 -0.142 0.000 1.386 64 H HN 0.708 nan 8.280 nan 0.000 0.567 65 D N -0.225 119.845 120.400 -0.550 0.000 2.371 65 D HA -0.104 4.536 4.640 -0.000 0.000 0.221 65 D C 2.003 178.212 176.300 -0.152 0.000 0.986 65 D CA 0.392 54.158 54.000 -0.390 0.000 0.899 65 D CB -0.047 40.574 40.800 -0.298 0.000 0.902 65 D HN 0.285 nan 8.370 nan 0.000 0.530 66 R N -1.226 119.225 120.500 -0.081 0.000 2.250 66 R HA 0.266 4.606 4.340 -0.000 0.000 0.194 66 R C 1.179 177.235 176.300 -0.408 0.000 0.927 66 R CA 0.135 56.110 56.100 -0.209 0.000 1.052 66 R CB -0.420 29.819 30.300 -0.101 0.000 1.055 66 R HN 0.023 nan 8.270 nan 0.000 0.537 67 F N -0.035 119.691 119.950 -0.374 0.000 2.365 67 F HA 0.149 4.676 4.527 -0.000 0.000 0.300 67 F C 2.130 177.717 175.800 -0.354 0.000 1.090 67 F CA 1.188 59.024 58.000 -0.273 0.000 1.408 67 F CB -0.969 38.026 39.000 -0.009 0.000 1.060 67 F HN 0.176 nan 8.300 nan 0.000 0.534 68 G N -0.140 108.541 108.800 -0.200 0.000 2.446 68 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 68 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 68 G C 2.099 176.634 174.900 -0.608 0.000 1.168 68 G CA 0.895 45.626 45.100 -0.616 0.000 0.771 68 G HN 0.487 nan 8.290 nan 0.000 0.551 69 G N -0.209 108.396 108.800 -0.324 0.000 2.422 69 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 69 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 69 G C 1.630 176.475 174.900 -0.091 0.000 1.146 69 G CA 0.986 45.967 45.100 -0.198 0.000 0.769 69 G HN 0.392 nan 8.290 nan 0.000 0.547 70 Y N 1.258 121.478 120.300 -0.132 0.000 2.224 70 Y HA 0.099 4.649 4.550 -0.000 0.000 0.289 70 Y C 3.042 178.828 175.900 -0.190 0.000 1.146 70 Y CA 0.036 58.069 58.100 -0.111 0.000 1.182 70 Y CB -1.074 37.322 38.460 -0.107 0.000 0.983 70 Y HN 0.270 nan 8.280 nan 0.000 0.524 71 A N -0.010 122.699 122.820 -0.184 0.000 1.929 71 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 71 A C 2.287 179.762 177.584 -0.182 0.000 1.176 71 A CA 1.439 53.328 52.037 -0.247 0.000 0.628 71 A CB -0.792 17.928 19.000 -0.467 0.000 0.816 71 A HN 0.526 nan 8.150 nan 0.000 0.444 72 Q N -0.084 119.583 119.800 -0.222 0.000 2.170 72 Q HA -0.125 4.215 4.340 -0.000 0.000 0.203 72 Q C 1.418 177.336 176.000 -0.137 0.000 0.976 72 Q CA 1.840 57.595 55.803 -0.080 0.000 0.858 72 Q CB -0.173 28.547 28.738 -0.031 0.000 0.907 72 Q HN 0.500 nan 8.270 nan 0.000 0.433 73 S N -0.563 115.068 115.700 -0.115 0.000 2.593 73 S HA 0.185 4.655 4.470 -0.000 0.000 0.217 73 S C 0.867 175.391 174.600 -0.127 0.000 0.966 73 S CA 0.479 58.603 58.200 -0.125 0.000 0.914 73 S CB 0.443 63.593 63.200 -0.083 0.000 0.776 73 S HN 0.725 nan 8.310 nan 0.000 0.523 74 G N 1.696 110.433 108.800 -0.106 0.000 2.246 74 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.273 74 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.273 74 G C 0.444 175.291 174.900 -0.089 0.000 1.055 74 G CA 0.340 45.386 45.100 -0.091 0.000 0.851 74 G HN 0.537 nan 8.290 nan 0.000 0.500 75 L N -1.363 119.815 121.223 -0.074 0.000 2.558 75 L HA 0.362 4.702 4.340 -0.000 0.000 0.225 75 L C 1.212 178.064 176.870 -0.031 0.000 1.128 75 L CA 0.359 55.147 54.840 -0.087 0.000 0.868 75 L CB 0.013 42.010 42.059 -0.105 0.000 1.006 75 L HN 0.244 nan 8.230 nan 0.000 0.454 76 L N 0.164 121.360 121.223 -0.045 0.000 2.341 76 L HA 0.585 4.925 4.340 -0.000 0.000 0.278 76 L C 0.245 177.088 176.870 -0.046 0.000 1.005 76 L CA -0.652 54.147 54.840 -0.068 0.000 0.818 76 L CB 1.853 43.832 42.059 -0.133 0.000 1.259 76 L HN -0.103 nan 8.230 nan 0.000 0.418 77 A N 2.255 125.051 122.820 -0.039 0.000 2.477 77 A HA 0.124 4.444 4.320 -0.000 0.000 0.246 77 A C 0.214 177.794 177.584 -0.006 0.000 1.078 77 A CA -0.177 51.847 52.037 -0.020 0.000 0.770 77 A CB 0.187 19.180 19.000 -0.013 0.000 1.011 77 A HN 0.804 nan 8.150 nan 0.000 0.494 78 E N 2.302 122.502 120.200 0.000 0.000 2.328 78 E HA 0.250 4.600 4.350 -0.000 0.000 0.265 78 E C 0.103 176.704 176.600 0.002 0.000 1.057 78 E CA -0.250 56.154 56.400 0.007 0.000 0.916 78 E CB 0.032 29.738 29.700 0.009 0.000 0.993 78 E HN 0.557 nan 8.360 nan 0.000 0.446 79 I N 1.934 122.496 120.570 -0.013 0.000 2.764 79 I HA 0.333 4.503 4.170 -0.000 0.000 0.294 79 I C -0.071 176.019 176.117 -0.046 0.000 1.045 79 I CA -0.545 60.736 61.300 -0.032 0.000 1.340 79 I CB 1.544 39.440 38.000 -0.173 0.000 1.436 79 I HN 0.408 nan 8.210 nan 0.000 0.567 80 T N 1.414 115.953 114.554 -0.026 0.000 3.542 80 T HA 0.450 4.800 4.350 -0.000 0.000 0.276 80 T C -2.251 172.431 174.700 -0.030 0.000 1.412 80 T CA -1.036 61.041 62.100 -0.038 0.000 1.664 80 T CB -0.113 68.744 68.868 -0.019 0.000 0.863 80 T HN 0.603 nan 8.240 nan 0.000 0.661 81 P HA 0.437 nan 4.420 nan 0.000 0.276 81 P C -0.301 176.995 177.300 -0.007 0.000 1.244 81 P CA -0.299 62.804 63.100 0.005 0.000 0.801 81 P CB 0.795 32.571 31.700 0.126 0.000 1.006 82 D N -0.176 120.261 120.400 0.062 0.000 2.390 82 D HA -0.062 4.578 4.640 -0.000 0.000 0.236 82 D C 1.561 177.871 176.300 0.017 0.000 1.189 82 D CA 0.187 54.217 54.000 0.050 0.000 0.887 82 D CB 0.739 41.595 40.800 0.094 0.000 1.198 82 D HN 0.157 nan 8.370 nan 0.000 0.444 83 K N 1.558 121.944 120.400 -0.024 0.000 2.063 83 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 83 K C 1.828 178.416 176.600 -0.019 0.000 1.048 83 K CA 1.582 57.836 56.287 -0.055 0.000 0.928 83 K CB -0.751 31.722 32.500 -0.044 0.000 0.713 83 K HN 0.511 nan 8.250 nan 0.000 0.442 84 A N -0.560 122.277 122.820 0.028 0.000 1.933 84 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 84 A C 2.094 179.727 177.584 0.082 0.000 1.175 84 A CA 1.661 53.725 52.037 0.045 0.000 0.628 84 A CB -0.741 18.293 19.000 0.056 0.000 0.814 84 A HN 0.682 nan 8.150 nan 0.000 0.444 85 F N 0.594 120.556 119.950 0.020 0.000 2.163 85 F HA -0.123 4.404 4.527 -0.000 0.000 0.297 85 F C 2.434 178.321 175.800 0.145 0.000 1.094 85 F CA 1.894 59.945 58.000 0.086 0.000 1.290 85 F CB -0.330 38.745 39.000 0.125 0.000 1.017 85 F HN 0.286 nan 8.300 nan 0.000 0.483 86 Q N 0.060 119.896 119.800 0.061 0.000 2.152 86 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 86 Q C 1.663 177.698 176.000 0.058 0.000 0.985 86 Q CA 1.852 57.606 55.803 -0.081 0.000 0.863 86 Q CB -0.388 28.028 28.738 -0.536 0.000 0.904 86 Q HN 0.397 nan 8.270 nan 0.000 0.422 87 D N 0.053 120.433 120.400 -0.033 0.000 2.221 87 D HA -0.114 4.526 4.640 -0.000 0.000 0.204 87 D C 1.789 178.036 176.300 -0.088 0.000 0.982 87 D CA 0.881 54.860 54.000 -0.035 0.000 0.857 87 D CB -0.023 40.756 40.800 -0.035 0.000 0.934 87 D HN 0.011 nan 8.370 nan 0.000 0.475 88 K N -0.616 119.683 120.400 -0.169 0.000 2.283 88 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 88 K C 0.811 177.254 176.600 -0.263 0.000 1.048 88 K CA 0.313 56.455 56.287 -0.243 0.000 0.948 88 K CB -0.208 32.062 32.500 -0.382 0.000 0.742 88 K HN 0.107 nan 8.250 nan 0.000 0.458 89 L N -0.746 120.373 121.223 -0.173 0.000 2.319 89 L HA 0.446 4.786 4.340 -0.000 0.000 0.267 89 L C -0.362 176.410 176.870 -0.163 0.000 1.011 89 L CA -1.249 53.471 54.840 -0.200 0.000 0.818 89 L CB 0.798 42.750 42.059 -0.178 0.000 1.316 89 L HN 0.092 nan 8.230 nan 0.000 0.432 90 Y N 2.610 122.851 120.300 -0.098 0.000 2.632 90 Y HA 0.053 4.603 4.550 -0.000 0.000 0.329 90 Y C -1.307 174.567 175.900 -0.044 0.000 1.174 90 Y CA -1.056 57.015 58.100 -0.049 0.000 1.469 90 Y CB -0.045 38.367 38.460 -0.079 0.000 1.242 90 Y HN 0.532 nan 8.280 nan 0.000 0.540 91 P HA -0.254 nan 4.420 nan 0.000 0.217 91 P C 1.336 178.815 177.300 0.299 0.000 1.148 91 P CA 1.675 64.976 63.100 0.335 0.000 0.828 91 P CB -0.149 31.719 31.700 0.280 0.000 0.783 92 F N -0.640 119.416 119.950 0.177 0.000 2.456 92 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 92 F C 1.847 177.670 175.800 0.039 0.000 1.104 92 F CA 1.289 59.350 58.000 0.102 0.000 1.435 92 F CB -2.108 36.927 39.000 0.058 0.000 1.078 92 F HN -0.136 nan 8.300 nan 0.000 0.546 93 T N -3.183 110.894 114.554 -0.795 0.000 2.915 93 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 93 T C 1.472 175.920 174.700 -0.421 0.000 1.071 93 T CA 1.216 62.888 62.100 -0.713 0.000 1.132 93 T CB -1.185 67.209 68.868 -0.789 0.000 0.878 93 T HN 0.581 nan 8.240 nan 0.000 0.479 94 W N 2.064 123.293 121.300 -0.118 0.000 2.425 94 W HA 0.074 4.734 4.660 -0.000 0.000 0.277 94 W C 2.010 178.528 176.519 -0.003 0.000 1.231 94 W CA 0.259 57.581 57.345 -0.038 0.000 1.248 94 W CB -0.107 29.349 29.460 -0.007 0.000 1.117 94 W HN 0.241 nan 8.180 nan 0.000 0.568 95 D N 0.062 120.573 120.400 0.184 0.000 2.144 95 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 95 D C 2.208 178.525 176.300 0.028 0.000 0.978 95 D CA 1.629 55.702 54.000 0.122 0.000 0.833 95 D CB -0.673 40.153 40.800 0.045 0.000 0.961 95 D HN 0.161 nan 8.370 nan 0.000 0.470 96 A N 0.853 123.631 122.820 -0.071 0.000 1.969 96 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 96 A C 2.150 179.760 177.584 0.044 0.000 1.169 96 A CA 1.397 53.325 52.037 -0.182 0.000 0.635 96 A CB -0.326 18.320 19.000 -0.590 0.000 0.810 96 A HN 0.240 nan 8.150 nan 0.000 0.445 97 V N -3.036 116.922 119.914 0.074 0.000 3.342 97 V HA 0.354 4.474 4.120 -0.000 0.000 0.322 97 V C 0.531 176.776 176.094 0.251 0.000 1.370 97 V CA -0.195 62.214 62.300 0.182 0.000 1.170 97 V CB -0.910 30.984 31.823 0.119 0.000 1.101 97 V HN 0.401 nan 8.190 nan 0.000 0.442 98 R N 0.616 121.267 120.500 0.252 0.000 2.265 98 R HA 0.530 4.869 4.340 -0.000 0.000 0.319 98 R C -1.820 174.658 176.300 0.297 0.000 1.006 98 R CA -0.632 55.616 56.100 0.247 0.000 0.880 98 R CB 1.109 31.540 30.300 0.219 0.000 1.077 98 R HN 0.490 nan 8.270 nan 0.000 0.454 99 Y N 3.870 124.248 120.300 0.129 0.000 2.421 99 Y HA 0.177 4.726 4.550 -0.000 0.000 0.339 99 Y C -0.130 175.815 175.900 0.074 0.000 0.996 99 Y CA -0.664 57.504 58.100 0.114 0.000 1.046 99 Y CB 1.670 40.196 38.460 0.110 0.000 1.226 99 Y HN 0.828 nan 8.280 nan 0.000 0.445 100 N N 3.892 122.547 118.700 -0.075 0.000 2.716 100 N HA -0.258 4.482 4.740 -0.000 0.000 0.250 100 N C 0.894 176.415 175.510 0.018 0.000 1.033 100 N CA 1.290 54.330 53.050 -0.017 0.000 0.727 100 N CB -0.729 37.798 38.487 0.067 0.000 0.950 100 N HN 1.270 nan 8.380 nan 0.000 0.541 101 G N -1.698 107.105 108.800 0.006 0.000 2.220 101 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.269 101 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.269 101 G C 0.058 174.979 174.900 0.035 0.000 0.977 101 G CA 1.043 46.147 45.100 0.008 0.000 0.634 101 G HN 0.420 nan 8.290 nan 0.000 0.539 102 K N -0.464 119.978 120.400 0.069 0.000 2.138 102 K HA 0.687 5.007 4.320 -0.000 0.000 0.263 102 K C 0.011 176.675 176.600 0.106 0.000 0.965 102 K CA -0.893 55.437 56.287 0.071 0.000 0.868 102 K CB 1.848 34.390 32.500 0.071 0.000 1.083 102 K HN 0.267 nan 8.250 nan 0.000 0.443 103 L N 3.191 124.460 121.223 0.076 0.000 2.361 103 L HA 0.277 4.617 4.340 -0.000 0.000 0.278 103 L C 0.748 177.666 176.870 0.080 0.000 1.113 103 L CA -0.040 54.862 54.840 0.103 0.000 0.849 103 L CB 0.204 42.294 42.059 0.052 0.000 1.155 103 L HN 0.728 nan 8.230 nan 0.000 0.452 104 I N 0.989 121.631 120.570 0.120 0.000 4.050 104 I HA 0.760 4.930 4.170 -0.000 0.000 0.327 104 I C 0.229 176.407 176.117 0.102 0.000 1.473 104 I CA -0.173 61.181 61.300 0.089 0.000 1.124 104 I CB 0.090 38.151 38.000 0.101 0.000 1.129 104 I HN 0.409 nan 8.210 nan 0.000 0.428 105 A N -0.213 122.675 122.820 0.114 0.000 2.583 105 A HA 0.702 5.022 4.320 -0.000 0.000 0.292 105 A C -2.071 175.536 177.584 0.039 0.000 1.045 105 A CA -0.536 51.601 52.037 0.166 0.000 0.672 105 A CB 0.433 19.693 19.000 0.433 0.000 1.283 105 A HN 0.101 nan 8.150 nan 0.000 0.419 106 Y N 0.853 121.226 120.300 0.123 0.000 2.341 106 Y HA 0.458 5.008 4.550 -0.000 0.000 0.340 106 Y C -2.194 173.643 175.900 -0.105 0.000 0.997 106 Y CA -1.904 56.218 58.100 0.037 0.000 1.149 106 Y CB 1.212 39.739 38.460 0.110 0.000 1.171 106 Y HN 0.378 nan 8.280 nan 0.000 0.494 107 P HA 0.014 nan 4.420 nan 0.000 0.267 107 P C -0.023 177.223 177.300 -0.091 0.000 1.205 107 P CA 0.408 63.362 63.100 -0.243 0.000 0.765 107 P CB 0.882 32.256 31.700 -0.543 0.000 0.828 108 I N 1.600 122.162 120.570 -0.014 0.000 3.393 108 I HA 0.306 4.476 4.170 -0.000 0.000 0.250 108 I C 1.003 177.150 176.117 0.050 0.000 1.122 108 I CA 0.461 61.809 61.300 0.079 0.000 1.484 108 I CB -1.133 36.995 38.000 0.215 0.000 1.468 108 I HN 0.244 nan 8.210 nan 0.000 0.461 109 A N 0.852 123.690 122.820 0.030 0.000 2.479 109 A HA 0.768 5.088 4.320 -0.000 0.000 0.296 109 A C -1.084 176.501 177.584 0.001 0.000 1.121 109 A CA -0.375 51.680 52.037 0.031 0.000 0.743 109 A CB 2.095 21.122 19.000 0.046 0.000 1.323 109 A HN -0.086 nan 8.150 nan 0.000 0.415 110 V N 0.617 120.546 119.914 0.026 0.000 2.656 110 V HA 0.639 4.759 4.120 -0.000 0.000 0.307 110 V C -0.376 175.760 176.094 0.069 0.000 1.051 110 V CA -0.449 61.880 62.300 0.048 0.000 0.893 110 V CB 1.636 33.506 31.823 0.078 0.000 0.999 110 V HN 0.971 nan 8.190 nan 0.000 0.426 111 E N 2.174 122.435 120.200 0.102 0.000 2.292 111 E HA 0.830 5.180 4.350 -0.000 0.000 0.272 111 E C -1.078 175.624 176.600 0.169 0.000 0.881 111 E CA -0.489 55.978 56.400 0.112 0.000 0.754 111 E CB 2.329 32.111 29.700 0.138 0.000 1.201 111 E HN 0.994 nan 8.360 nan 0.000 0.425 112 A N 3.517 126.409 122.820 0.121 0.000 2.612 112 A HA 0.481 4.801 4.320 -0.000 0.000 0.293 112 A C -1.363 176.243 177.584 0.037 0.000 1.075 112 A CA -0.754 51.358 52.037 0.126 0.000 0.680 112 A CB 0.768 19.815 19.000 0.079 0.000 1.279 112 A HN 0.595 nan 8.150 nan 0.000 0.411 113 L N 1.109 122.347 121.223 0.024 0.000 2.467 113 L HA 0.452 4.792 4.340 -0.000 0.000 0.270 113 L C 0.556 177.411 176.870 -0.025 0.000 1.205 113 L CA 0.192 55.012 54.840 -0.034 0.000 0.828 113 L CB 0.958 42.993 42.059 -0.041 0.000 1.101 113 L HN 0.739 nan 8.230 nan 0.000 0.479 114 S N 1.075 116.766 115.700 -0.016 0.000 2.651 114 S HA 0.469 4.939 4.470 -0.000 0.000 0.279 114 S C -0.833 173.751 174.600 -0.027 0.000 1.148 114 S CA -0.731 57.471 58.200 0.003 0.000 0.837 114 S CB 1.817 65.065 63.200 0.079 0.000 1.138 114 S HN 0.397 nan 8.310 nan 0.000 0.478 115 L N 2.401 123.596 121.223 -0.046 0.000 2.369 115 L HA 0.441 4.781 4.340 -0.000 0.000 0.279 115 L C -1.289 175.594 176.870 0.022 0.000 1.108 115 L CA -0.040 54.759 54.840 -0.069 0.000 0.852 115 L CB -0.021 41.968 42.059 -0.116 0.000 1.169 115 L HN 0.570 nan 8.230 nan 0.000 0.452 116 I N 6.045 126.582 120.570 -0.056 0.000 2.339 116 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 116 I C -0.695 175.414 176.117 -0.013 0.000 0.994 116 I CA -0.687 60.555 61.300 -0.096 0.000 1.191 116 I CB 1.137 38.910 38.000 -0.380 0.000 1.343 116 I HN 0.435 nan 8.210 nan 0.000 0.458 117 Y N 4.564 124.921 120.300 0.094 0.000 2.536 117 Y HA 0.514 5.064 4.550 -0.000 0.000 0.347 117 Y C -0.592 175.567 175.900 0.433 0.000 1.000 117 Y CA -1.588 56.670 58.100 0.265 0.000 1.051 117 Y CB 0.841 39.357 38.460 0.093 0.000 1.259 117 Y HN 0.449 nan 8.280 nan 0.000 0.468 118 N N 2.873 121.791 118.700 0.362 0.000 2.406 118 N HA 0.121 4.861 4.740 -0.000 0.000 0.251 118 N C 0.105 175.652 175.510 0.060 0.000 1.069 118 N CA -0.052 53.027 53.050 0.049 0.000 0.947 118 N CB 1.013 39.412 38.487 -0.148 0.000 1.111 118 N HN 0.906 nan 8.380 nan 0.000 0.497 119 K N 2.090 122.451 120.400 -0.064 0.000 2.211 119 K HA -0.095 4.224 4.320 -0.000 0.000 0.203 119 K C 0.507 177.125 176.600 0.030 0.000 1.050 119 K CA 0.965 57.259 56.287 0.013 0.000 0.945 119 K CB 0.335 32.782 32.500 -0.088 0.000 0.732 119 K HN 0.494 nan 8.250 nan 0.000 0.451 120 D N 0.854 121.247 120.400 -0.013 0.000 2.078 120 D HA -0.133 4.507 4.640 -0.000 0.000 0.193 120 D C 1.766 178.068 176.300 0.003 0.000 0.990 120 D CA 0.897 54.889 54.000 -0.014 0.000 0.827 120 D CB -0.110 40.666 40.800 -0.040 0.000 0.975 120 D HN -0.034 nan 8.370 nan 0.000 0.451 121 L N -0.466 120.759 121.223 0.003 0.000 2.141 121 L HA 0.020 4.360 4.340 -0.000 0.000 0.209 121 L C 0.793 177.690 176.870 0.046 0.000 1.094 121 L CA 0.968 55.818 54.840 0.016 0.000 0.763 121 L CB -0.533 41.532 42.059 0.010 0.000 0.908 121 L HN 0.064 nan 8.230 nan 0.000 0.437 122 L N 0.316 121.593 121.223 0.090 0.000 2.440 122 L HA 0.320 4.660 4.340 -0.000 0.000 0.261 122 L C -1.812 175.156 176.870 0.163 0.000 1.382 122 L CA -0.749 54.155 54.840 0.108 0.000 0.871 122 L CB 1.106 43.242 42.059 0.128 0.000 1.052 122 L HN -0.182 nan 8.230 nan 0.000 0.509 123 P HA -0.081 nan 4.420 nan 0.000 0.218 123 P C -0.368 176.962 177.300 0.050 0.000 1.148 123 P CA 1.074 64.243 63.100 0.115 0.000 0.822 123 P CB 0.196 31.925 31.700 0.050 0.000 0.784 124 N N 1.105 119.784 118.700 -0.034 0.000 2.706 124 N HA 0.227 4.967 4.740 -0.000 0.000 0.240 124 N C -2.467 172.928 175.510 -0.192 0.000 1.039 124 N CA -1.223 51.753 53.050 -0.123 0.000 0.888 124 N CB 1.155 39.594 38.487 -0.081 0.000 1.128 124 N HN 0.224 nan 8.380 nan 0.000 0.512 125 P HA 0.213 nan 4.420 nan 0.000 0.271 125 P C -2.455 174.681 177.300 -0.273 0.000 1.216 125 P CA -0.848 62.028 63.100 -0.373 0.000 0.776 125 P CB 0.102 31.363 31.700 -0.731 0.000 0.881 126 P HA 0.073 nan 4.420 nan 0.000 0.267 126 P C 0.491 177.669 177.300 -0.203 0.000 1.200 126 P CA -0.011 62.985 63.100 -0.173 0.000 0.772 126 P CB 0.857 32.468 31.700 -0.149 0.000 0.855 127 K N 0.167 120.473 120.400 -0.157 0.000 2.323 127 K HA 0.080 4.400 4.320 -0.000 0.000 0.197 127 K C 1.048 177.569 176.600 -0.133 0.000 1.043 127 K CA 0.851 57.051 56.287 -0.145 0.000 0.997 127 K CB -0.053 32.383 32.500 -0.107 0.000 0.807 127 K HN 0.684 nan 8.250 nan 0.000 0.497 128 T N -3.998 110.487 114.554 -0.114 0.000 2.893 128 T HA 0.285 4.634 4.350 -0.000 0.000 0.291 128 T C 0.520 175.192 174.700 -0.047 0.000 1.028 128 T CA -0.851 61.216 62.100 -0.056 0.000 0.995 128 T CB 1.069 69.928 68.868 -0.015 0.000 1.051 128 T HN 0.119 nan 8.240 nan 0.000 0.470 129 W N 0.887 122.152 121.300 -0.059 0.000 2.392 129 W HA 0.070 4.730 4.660 -0.000 0.000 0.279 129 W C 2.064 178.609 176.519 0.043 0.000 1.225 129 W CA 0.779 58.092 57.345 -0.053 0.000 1.233 129 W CB -0.146 29.173 29.460 -0.235 0.000 1.122 129 W HN 0.816 nan 8.180 nan 0.000 0.561 130 E N 0.013 120.331 120.200 0.197 0.000 2.268 130 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 130 E C 1.605 178.336 176.600 0.218 0.000 0.995 130 E CA 1.195 57.748 56.400 0.254 0.000 0.836 130 E CB -0.235 29.534 29.700 0.116 0.000 0.763 130 E HN 0.346 nan 8.360 nan 0.000 0.491 131 E N -0.067 120.206 120.200 0.121 0.000 2.208 131 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 131 E C 1.771 178.400 176.600 0.049 0.000 0.988 131 E CA 0.463 56.896 56.400 0.056 0.000 0.828 131 E CB 0.027 29.725 29.700 -0.003 0.000 0.763 131 E HN 0.304 nan 8.360 nan 0.000 0.478 132 I N 1.140 121.767 120.570 0.094 0.000 2.179 132 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 132 I C -0.845 175.232 176.117 -0.065 0.000 1.088 132 I CA 0.901 62.230 61.300 0.047 0.000 1.357 132 I CB -1.422 36.654 38.000 0.126 0.000 1.051 132 I HN 0.072 nan 8.210 nan 0.000 0.409 133 P HA -0.241 nan 4.420 nan 0.000 0.214 133 P C 1.575 178.666 177.300 -0.348 0.000 1.169 133 P CA 2.235 64.992 63.100 -0.573 0.000 0.908 133 P CB -0.064 31.445 31.700 -0.318 0.000 0.791 134 A N -0.962 121.790 122.820 -0.113 0.000 1.902 134 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 134 A C 2.181 179.750 177.584 -0.024 0.000 1.181 134 A CA 1.619 53.636 52.037 -0.033 0.000 0.623 134 A CB -1.698 17.302 19.000 0.001 0.000 0.818 134 A HN 0.176 nan 8.150 nan 0.000 0.443 135 L N 0.280 121.484 121.223 -0.032 0.000 2.046 135 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 135 L C 1.912 178.782 176.870 -0.000 0.000 1.077 135 L CA 2.791 57.623 54.840 -0.014 0.000 0.747 135 L CB -0.695 41.354 42.059 -0.016 0.000 0.896 135 L HN 0.482 nan 8.230 nan 0.000 0.432 136 D N -0.532 119.856 120.400 -0.021 0.000 2.084 136 D HA -0.263 4.377 4.640 -0.000 0.000 0.194 136 D C 2.236 178.589 176.300 0.089 0.000 0.990 136 D CA 1.492 55.518 54.000 0.044 0.000 0.826 136 D CB -0.157 40.683 40.800 0.067 0.000 0.971 136 D HN 0.267 nan 8.370 nan 0.000 0.453 137 K N 0.199 120.657 120.400 0.096 0.000 2.113 137 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 137 K C 1.951 178.587 176.600 0.061 0.000 1.047 137 K CA 1.734 58.085 56.287 0.107 0.000 0.928 137 K CB -0.163 32.406 32.500 0.114 0.000 0.716 137 K HN 0.478 nan 8.250 nan 0.000 0.446 138 E N -0.018 120.206 120.200 0.041 0.000 2.216 138 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 138 E C 2.069 178.686 176.600 0.029 0.000 0.988 138 E CA 0.543 56.960 56.400 0.029 0.000 0.834 138 E CB -0.233 29.479 29.700 0.019 0.000 0.772 138 E HN 0.251 nan 8.360 nan 0.000 0.479 139 L N 0.438 121.682 121.223 0.035 0.000 2.179 139 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 139 L C 2.373 179.265 176.870 0.036 0.000 1.096 139 L CA 0.584 55.445 54.840 0.034 0.000 0.779 139 L CB -0.135 41.948 42.059 0.040 0.000 0.922 139 L HN 0.026 nan 8.230 nan 0.000 0.443 140 K N 0.479 120.907 120.400 0.048 0.000 2.032 140 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 140 K C 2.039 178.657 176.600 0.029 0.000 1.048 140 K CA 1.567 57.880 56.287 0.043 0.000 0.927 140 K CB -0.571 31.962 32.500 0.055 0.000 0.712 140 K HN 0.251 nan 8.250 nan 0.000 0.441 141 A N 1.095 123.931 122.820 0.028 0.000 2.225 141 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 141 A C 1.656 179.249 177.584 0.015 0.000 1.164 141 A CA 1.206 53.255 52.037 0.020 0.000 0.710 141 A CB -0.115 18.896 19.000 0.020 0.000 0.780 141 A HN 0.139 nan 8.150 nan 0.000 0.473 142 K N -1.782 118.627 120.400 0.015 0.000 2.506 142 K HA 0.405 4.725 4.320 -0.000 0.000 0.204 142 K C 0.919 177.524 176.600 0.008 0.000 1.045 142 K CA 0.472 56.766 56.287 0.010 0.000 1.074 142 K CB 0.081 32.586 32.500 0.009 0.000 0.842 142 K HN 1.501 nan 8.250 nan 0.000 0.514 143 G N 1.554 110.361 108.800 0.011 0.000 2.136 143 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.242 143 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.242 143 G C -0.036 174.871 174.900 0.011 0.000 0.989 143 G CA 0.397 45.502 45.100 0.009 0.000 0.682 143 G HN 0.298 nan 8.290 nan 0.000 0.522 144 K N -0.232 120.179 120.400 0.018 0.000 2.409 144 K HA 0.823 5.143 4.320 -0.000 0.000 0.252 144 K C 0.105 176.730 176.600 0.042 0.000 1.036 144 K CA -0.029 56.272 56.287 0.023 0.000 0.871 144 K CB 1.763 34.273 32.500 0.017 0.000 1.374 144 K HN 0.674 nan 8.250 nan 0.000 0.459 145 S N -1.495 114.237 115.700 0.054 0.000 2.600 145 S HA 0.621 5.091 4.470 -0.000 0.000 0.300 145 S C 0.709 175.362 174.600 0.089 0.000 1.087 145 S CA -0.263 57.983 58.200 0.078 0.000 0.965 145 S CB 1.868 65.120 63.200 0.087 0.000 1.089 145 S HN 0.579 nan 8.310 nan 0.000 0.496 146 A N 0.787 123.666 122.820 0.097 0.000 1.854 146 A HA 0.379 4.699 4.320 -0.000 0.000 0.214 146 A C 0.610 178.268 177.584 0.123 0.000 1.192 146 A CA 1.164 53.256 52.037 0.091 0.000 0.611 146 A CB -0.655 18.384 19.000 0.064 0.000 0.832 146 A HN 1.113 nan 8.150 nan 0.000 0.442 147 L N -1.063 120.253 121.223 0.156 0.000 2.493 147 L HA 0.677 5.017 4.340 -0.000 0.000 0.265 147 L C -1.241 175.778 176.870 0.249 0.000 0.954 147 L CA -0.172 54.789 54.840 0.201 0.000 0.844 147 L CB 1.773 43.955 42.059 0.204 0.000 1.302 147 L HN 0.327 nan 8.230 nan 0.000 0.405 148 M N 6.199 125.957 119.600 0.264 0.000 2.327 148 M HA 0.651 5.131 4.480 -0.000 0.000 0.298 148 M C -1.418 175.071 176.300 0.315 0.000 1.065 148 M CA -0.490 54.948 55.300 0.229 0.000 0.916 148 M CB 2.076 34.758 32.600 0.137 0.000 1.630 148 M HN 0.617 nan 8.290 nan 0.000 0.442 149 F N 0.320 120.297 119.950 0.045 0.000 2.741 149 F HA 0.517 5.044 4.527 -0.000 0.000 0.313 149 F C -0.966 174.820 175.800 -0.023 0.000 1.153 149 F CA -1.341 56.668 58.000 0.014 0.000 0.931 149 F CB 0.895 39.966 39.000 0.118 0.000 1.335 149 F HN 0.467 nan 8.300 nan 0.000 0.460 150 N N 1.989 120.618 118.700 -0.118 0.000 2.400 150 N HA 0.160 4.900 4.740 -0.000 0.000 0.278 150 N C 0.351 175.717 175.510 -0.240 0.000 1.247 150 N CA 0.143 53.016 53.050 -0.294 0.000 0.970 150 N CB 0.075 38.156 38.487 -0.678 0.000 1.312 150 N HN 0.779 nan 8.380 nan 0.000 0.488 151 L N 1.619 122.647 121.223 -0.325 0.000 2.492 151 L HA 0.002 4.342 4.340 -0.000 0.000 0.223 151 L C 1.636 178.467 176.870 -0.065 0.000 1.132 151 L CA 0.338 55.019 54.840 -0.266 0.000 0.850 151 L CB -0.065 41.808 42.059 -0.309 0.000 0.966 151 L HN 0.444 nan 8.230 nan 0.000 0.454 152 Q N -0.064 119.711 119.800 -0.041 0.000 2.369 152 Q HA 0.046 4.386 4.340 -0.000 0.000 0.206 152 Q C 0.216 176.256 176.000 0.068 0.000 0.963 152 Q CA 0.785 56.589 55.803 0.001 0.000 0.894 152 Q CB 0.119 28.848 28.738 -0.015 0.000 0.965 152 Q HN 0.342 nan 8.270 nan 0.000 0.475 153 E N 0.856 121.152 120.200 0.161 0.000 2.176 153 E HA 0.179 4.529 4.350 -0.000 0.000 0.267 153 E C -1.793 175.042 176.600 0.392 0.000 0.893 153 E CA -2.273 54.285 56.400 0.264 0.000 0.761 153 E CB 1.806 31.744 29.700 0.398 0.000 1.133 153 E HN -0.128 nan 8.360 nan 0.000 0.409 154 P HA -0.189 nan 4.420 nan 0.000 0.219 154 P C 1.377 179.100 177.300 0.705 0.000 1.146 154 P CA 0.996 64.397 63.100 0.503 0.000 0.808 154 P CB 0.124 32.123 31.700 0.498 0.000 0.779 155 Y N 0.022 120.585 120.300 0.437 0.000 2.207 155 Y HA -0.210 4.340 4.550 -0.000 0.000 0.287 155 Y C 1.969 178.084 175.900 0.358 0.000 1.156 155 Y CA 1.736 60.081 58.100 0.408 0.000 1.182 155 Y CB -0.869 37.560 38.460 -0.052 0.000 0.979 155 Y HN -0.221 nan 8.280 nan 0.000 0.521 156 F N -0.812 119.435 119.950 0.494 0.000 2.387 156 F HA -0.047 4.480 4.527 -0.000 0.000 0.294 156 F C 2.506 178.593 175.800 0.479 0.000 1.093 156 F CA 1.434 59.717 58.000 0.472 0.000 1.420 156 F CB -0.575 38.784 39.000 0.598 0.000 1.086 156 F HN 0.095 nan 8.300 nan 0.000 0.531 157 T N -3.623 111.313 114.554 0.637 0.000 3.057 157 T HA -0.139 4.211 4.350 -0.000 0.000 0.254 157 T C 1.862 176.754 174.700 0.320 0.000 1.094 157 T CA -0.011 62.389 62.100 0.500 0.000 1.088 157 T CB -0.675 68.418 68.868 0.374 0.000 0.934 157 T HN 0.490 nan 8.240 nan 0.000 0.497 158 W N 2.824 124.229 121.300 0.175 0.000 2.374 158 W HA -0.022 4.638 4.660 -0.000 0.000 0.288 158 W C -1.721 174.749 176.519 -0.081 0.000 1.218 158 W CA 0.672 58.059 57.345 0.071 0.000 1.245 158 W CB -0.912 28.649 29.460 0.169 0.000 1.126 158 W HN 0.291 nan 8.180 nan 0.000 0.545 159 P HA -0.237 nan 4.420 nan 0.000 0.216 159 P C 1.786 178.937 177.300 -0.249 0.000 1.153 159 P CA 1.662 64.653 63.100 -0.181 0.000 0.858 159 P CB -0.434 31.238 31.700 -0.048 0.000 0.789 160 L N -0.806 120.250 121.223 -0.279 0.000 2.044 160 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 160 L C 2.191 178.706 176.870 -0.591 0.000 1.075 160 L CA 1.642 56.150 54.840 -0.554 0.000 0.747 160 L CB -1.254 40.269 42.059 -0.895 0.000 0.903 160 L HN -0.142 nan 8.230 nan 0.000 0.435 161 I N -0.201 120.038 120.570 -0.552 0.000 2.361 161 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 161 I C 2.441 178.093 176.117 -0.775 0.000 1.133 161 I CA 1.187 62.118 61.300 -0.616 0.000 1.413 161 I CB -0.602 37.053 38.000 -0.575 0.000 1.073 161 I HN 0.347 nan 8.210 nan 0.000 0.424 162 A N 0.517 122.752 122.820 -0.976 0.000 2.072 162 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 162 A C 2.549 179.946 177.584 -0.312 0.000 1.156 162 A CA 1.037 52.625 52.037 -0.749 0.000 0.701 162 A CB -0.559 17.948 19.000 -0.822 0.000 0.816 162 A HN 0.366 nan 8.150 nan 0.000 0.458 163 A N 0.791 123.465 122.820 -0.243 0.000 1.894 163 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 163 A C 1.477 179.057 177.584 -0.007 0.000 1.237 163 A CA 2.414 54.414 52.037 -0.060 0.000 0.660 163 A CB -0.939 18.098 19.000 0.062 0.000 0.835 163 A HN 0.567 nan 8.150 nan 0.000 0.461 164 D N -1.981 118.435 120.400 0.027 0.000 1.851 164 D HA 0.333 4.973 4.640 -0.000 0.000 0.309 164 D C 2.029 178.337 176.300 0.013 0.000 1.070 164 D CA 0.963 54.970 54.000 0.012 0.000 0.876 164 D CB -0.553 40.265 40.800 0.029 0.000 1.147 164 D HN 0.253 nan 8.370 nan 0.000 0.392 165 G N -0.624 108.195 108.800 0.032 0.000 2.421 165 G HA2 0.023 3.983 3.960 -0.000 0.000 0.217 165 G HA3 0.023 3.983 3.960 -0.000 0.000 0.217 165 G C 0.890 175.874 174.900 0.141 0.000 1.143 165 G CA 0.502 45.663 45.100 0.101 0.000 0.784 165 G HN 0.469 nan 8.290 nan 0.000 0.541 166 G N 0.293 109.077 108.800 -0.026 0.000 2.115 166 G HA2 0.316 4.276 3.960 -0.000 0.000 0.244 166 G HA3 0.316 4.276 3.960 -0.000 0.000 0.244 166 G C -0.378 174.646 174.900 0.206 0.000 1.105 166 G CA 0.724 45.763 45.100 -0.101 0.000 0.893 166 G HN 0.792 nan 8.290 nan 0.000 0.443 167 Y N -1.211 119.326 120.300 0.396 0.000 2.638 167 Y HA 0.713 5.263 4.550 -0.000 0.000 0.335 167 Y C 0.632 176.751 175.900 0.365 0.000 1.155 167 Y CA -0.775 57.618 58.100 0.489 0.000 1.046 167 Y CB 0.669 39.275 38.460 0.242 0.000 1.303 167 Y HN 0.602 nan 8.280 nan 0.000 0.460 168 A N 1.164 124.075 122.820 0.151 0.000 1.849 168 A HA 0.399 4.719 4.320 -0.000 0.000 0.214 168 A C -0.417 176.789 177.584 -0.629 0.000 1.269 168 A CA 1.000 52.643 52.037 -0.658 0.000 0.605 168 A CB -0.377 17.840 19.000 -1.304 0.000 0.937 168 A HN 0.569 nan 8.150 nan 0.000 0.461 169 F N -0.845 119.189 119.950 0.140 0.000 2.539 169 F HA 0.503 5.029 4.527 -0.000 0.000 0.318 169 F C -0.114 175.925 175.800 0.398 0.000 1.135 169 F CA -1.094 57.048 58.000 0.236 0.000 0.915 169 F CB 1.683 40.662 39.000 -0.035 0.000 1.176 169 F HN -0.013 nan 8.300 nan 0.000 0.440 170 K N 2.089 122.778 120.400 0.481 0.000 2.472 170 K HA -0.002 4.318 4.320 -0.000 0.000 0.280 170 K C -1.495 175.287 176.600 0.303 0.000 1.028 170 K CA 0.385 56.763 56.287 0.150 0.000 1.045 170 K CB 0.021 32.547 32.500 0.042 0.000 0.902 170 K HN 0.579 nan 8.250 nan 0.000 0.478 171 Y N 3.618 123.944 120.300 0.043 0.000 2.478 171 Y HA 0.198 4.748 4.550 -0.000 0.000 0.329 171 Y C 0.530 176.372 175.900 -0.096 0.000 0.967 171 Y CA -0.464 57.580 58.100 -0.094 0.000 1.255 171 Y CB 1.224 39.583 38.460 -0.168 0.000 1.103 171 Y HN 0.864 nan 8.280 nan 0.000 0.497 172 E N 2.708 122.700 120.200 -0.347 0.000 2.094 172 E HA 0.064 4.414 4.350 -0.000 0.000 0.193 172 E C -0.717 175.719 176.600 -0.274 0.000 0.950 172 E CA 0.926 57.191 56.400 -0.224 0.000 0.842 172 E CB 0.378 29.995 29.700 -0.139 0.000 0.816 172 E HN 0.736 nan 8.360 nan 0.000 0.465 173 N N -1.288 117.177 118.700 -0.393 0.000 2.751 173 N HA 0.357 5.097 4.740 -0.000 0.000 0.238 173 N C -0.064 175.206 175.510 -0.400 0.000 1.351 173 N CA 0.048 52.903 53.050 -0.325 0.000 0.751 173 N CB 0.925 39.313 38.487 -0.165 0.000 1.342 173 N HN 0.237 nan 8.380 nan 0.000 0.540 174 G N -1.183 107.230 108.800 -0.644 0.000 2.184 174 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.264 174 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.264 174 G C 0.054 174.648 174.900 -0.510 0.000 0.975 174 G CA 0.549 45.391 45.100 -0.430 0.000 0.642 174 G HN 0.973 nan 8.290 nan 0.000 0.536 175 K N -0.829 119.075 120.400 -0.826 0.000 2.501 175 K HA 0.732 5.052 4.320 -0.000 0.000 0.252 175 K C -0.618 175.727 176.600 -0.426 0.000 0.934 175 K CA -0.884 55.135 56.287 -0.448 0.000 0.797 175 K CB 1.076 33.432 32.500 -0.241 0.000 1.270 175 K HN 0.535 nan 8.250 nan 0.000 0.431 176 Y N 1.121 121.413 120.300 -0.014 0.000 2.309 176 Y HA 0.310 4.860 4.550 -0.000 0.000 0.327 176 Y C 0.730 176.620 175.900 -0.016 0.000 1.172 176 Y CA -0.108 58.028 58.100 0.061 0.000 1.280 176 Y CB 1.548 40.017 38.460 0.014 0.000 1.234 176 Y HN 0.746 nan 8.280 nan 0.000 0.512 177 D N 3.901 124.444 120.400 0.237 0.000 2.467 177 D HA 0.106 4.746 4.640 -0.000 0.000 0.220 177 D C 0.783 177.224 176.300 0.235 0.000 1.103 177 D CA -0.308 53.794 54.000 0.169 0.000 0.886 177 D CB 0.211 41.105 40.800 0.156 0.000 1.025 177 D HN 0.625 nan 8.370 nan 0.000 0.514 178 I N 0.429 121.059 120.570 0.100 0.000 3.001 178 I HA -0.021 4.149 4.170 -0.000 0.000 0.268 178 I C 1.302 177.583 176.117 0.273 0.000 1.267 178 I CA 0.558 61.918 61.300 0.101 0.000 1.472 178 I CB 0.112 37.967 38.000 -0.242 0.000 1.089 178 I HN 0.012 nan 8.210 nan 0.000 0.468 179 K N 0.543 121.086 120.400 0.238 0.000 2.361 179 K HA 0.034 4.354 4.320 -0.000 0.000 0.196 179 K C 0.142 176.880 176.600 0.230 0.000 1.039 179 K CA 0.191 56.619 56.287 0.236 0.000 1.001 179 K CB 0.057 32.684 32.500 0.212 0.000 0.795 179 K HN 0.266 nan 8.250 nan 0.000 0.495 180 D N 1.382 121.946 120.400 0.273 0.000 2.428 180 D HA 0.121 4.761 4.640 -0.000 0.000 0.221 180 D C -1.303 175.209 176.300 0.353 0.000 1.123 180 D CA -0.265 53.911 54.000 0.294 0.000 0.869 180 D CB 0.751 41.728 40.800 0.295 0.000 1.032 180 D HN -0.278 nan 8.370 nan 0.000 0.506 181 V N 2.846 122.862 119.914 0.170 0.000 2.495 181 V HA 0.625 4.745 4.120 -0.000 0.000 0.298 181 V C 1.107 177.028 176.094 -0.289 0.000 1.031 181 V CA -0.885 61.381 62.300 -0.058 0.000 0.871 181 V CB 1.994 33.770 31.823 -0.079 0.000 0.988 181 V HN 0.621 nan 8.190 nan 0.000 0.432 182 G N 2.584 110.913 108.800 -0.785 0.000 4.291 182 G HA2 0.337 4.297 3.960 -0.000 0.000 0.304 182 G HA3 0.337 4.297 3.960 -0.000 0.000 0.304 182 G C 0.520 175.218 174.900 -0.337 0.000 1.264 182 G CA 0.045 44.497 45.100 -1.079 0.000 1.039 182 G HN 0.533 nan 8.290 nan 0.000 0.578 183 V N -0.630 119.220 119.914 -0.106 0.000 2.992 183 V HA 0.012 4.132 4.120 -0.000 0.000 0.250 183 V C 1.974 178.085 176.094 0.029 0.000 1.090 183 V CA 1.267 63.621 62.300 0.090 0.000 1.101 183 V CB 0.598 32.455 31.823 0.057 0.000 0.743 183 V HN 0.317 nan 8.190 nan 0.000 0.468 184 D N 0.217 120.604 120.400 -0.022 0.000 2.366 184 D HA 0.024 4.664 4.640 -0.000 0.000 0.205 184 D C 0.785 177.079 176.300 -0.010 0.000 1.022 184 D CA 0.039 54.034 54.000 -0.009 0.000 0.868 184 D CB -0.033 40.763 40.800 -0.005 0.000 0.953 184 D HN 0.625 nan 8.370 nan 0.000 0.514 185 N N -0.054 118.628 118.700 -0.029 0.000 2.415 185 N HA 0.101 4.841 4.740 -0.000 0.000 0.248 185 N C 0.975 176.486 175.510 0.001 0.000 1.271 185 N CA 0.428 53.472 53.050 -0.009 0.000 0.913 185 N CB 0.553 39.035 38.487 -0.009 0.000 1.129 185 N HN -0.139 nan 8.380 nan 0.000 0.444 186 A N 0.854 123.683 122.820 0.015 0.000 1.978 186 A HA -0.053 4.266 4.320 -0.000 0.000 0.220 186 A C 2.052 179.649 177.584 0.022 0.000 1.170 186 A CA 1.826 53.874 52.037 0.019 0.000 0.636 186 A CB -1.577 17.436 19.000 0.022 0.000 0.810 186 A HN 0.848 nan 8.150 nan 0.000 0.448 187 G N -0.647 108.164 108.800 0.018 0.000 2.418 187 G HA2 0.021 3.981 3.960 -0.000 0.000 0.217 187 G HA3 0.021 3.981 3.960 -0.000 0.000 0.217 187 G C 1.688 176.576 174.900 -0.020 0.000 1.158 187 G CA 1.290 46.400 45.100 0.017 0.000 0.771 187 G HN 0.794 nan 8.290 nan 0.000 0.545 188 A N 0.503 123.289 122.820 -0.056 0.000 1.968 188 A HA 0.126 4.446 4.320 -0.000 0.000 0.217 188 A C 2.277 179.822 177.584 -0.066 0.000 1.169 188 A CA 1.841 53.812 52.037 -0.110 0.000 0.638 188 A CB -0.232 18.727 19.000 -0.068 0.000 0.812 188 A HN 0.343 nan 8.150 nan 0.000 0.446 189 K N -0.080 120.308 120.400 -0.019 0.000 2.148 189 K HA 0.056 4.376 4.320 -0.000 0.000 0.204 189 K C 2.184 178.796 176.600 0.020 0.000 1.050 189 K CA 1.065 57.352 56.287 -0.001 0.000 0.942 189 K CB -0.253 32.255 32.500 0.013 0.000 0.724 189 K HN 0.432 nan 8.250 nan 0.000 0.446 190 A N 0.682 123.538 122.820 0.060 0.000 1.873 190 A HA -0.040 4.280 4.320 -0.000 0.000 0.215 190 A C 2.403 180.057 177.584 0.118 0.000 1.186 190 A CA 1.791 53.932 52.037 0.173 0.000 0.616 190 A CB -1.239 17.912 19.000 0.252 0.000 0.823 190 A HN 0.395 nan 8.150 nan 0.000 0.442 191 G N -0.257 108.489 108.800 -0.091 0.000 2.418 191 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.217 191 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.217 191 G C 1.503 176.167 174.900 -0.395 0.000 1.158 191 G CA 1.278 46.026 45.100 -0.588 0.000 0.771 191 G HN 0.454 nan 8.290 nan 0.000 0.545 192 L N 0.927 122.028 121.223 -0.204 0.000 2.056 192 L HA 0.049 4.389 4.340 -0.000 0.000 0.207 192 L C 2.951 179.776 176.870 -0.076 0.000 1.078 192 L CA 2.402 57.168 54.840 -0.124 0.000 0.749 192 L CB -0.968 41.052 42.059 -0.065 0.000 0.901 192 L HN 0.188 nan 8.230 nan 0.000 0.433 193 T N -0.452 114.083 114.554 -0.032 0.000 2.665 193 T HA -0.277 4.073 4.350 -0.000 0.000 0.268 193 T C 1.681 176.386 174.700 0.008 0.000 1.035 193 T CA 2.155 64.259 62.100 0.007 0.000 1.151 193 T CB -0.662 68.239 68.868 0.056 0.000 0.862 193 T HN 0.378 nan 8.240 nan 0.000 0.438 194 F N 1.083 120.950 119.950 -0.138 0.000 2.134 194 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 194 F C 2.093 177.792 175.800 -0.168 0.000 1.097 194 F CA 0.867 58.776 58.000 -0.152 0.000 1.264 194 F CB -0.336 38.472 39.000 -0.320 0.000 1.001 194 F HN 0.048 nan 8.300 nan 0.000 0.479 195 L N -0.608 120.562 121.223 -0.090 0.000 1.989 195 L HA -0.244 4.096 4.340 -0.000 0.000 0.211 195 L C 2.296 179.110 176.870 -0.093 0.000 1.071 195 L CA 1.440 56.223 54.840 -0.096 0.000 0.749 195 L CB -0.501 41.501 42.059 -0.094 0.000 0.890 195 L HN -0.006 nan 8.230 nan 0.000 0.431 196 V N -0.178 119.686 119.914 -0.083 0.000 2.407 196 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 196 V C 2.042 178.084 176.094 -0.087 0.000 1.055 196 V CA 1.992 64.251 62.300 -0.069 0.000 1.049 196 V CB -0.678 31.116 31.823 -0.049 0.000 0.662 196 V HN 0.492 nan 8.190 nan 0.000 0.455 197 D N -0.022 120.301 120.400 -0.129 0.000 2.178 197 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 197 D C 2.123 178.333 176.300 -0.149 0.000 0.980 197 D CA 0.960 54.870 54.000 -0.148 0.000 0.842 197 D CB -0.223 40.466 40.800 -0.186 0.000 0.948 197 D HN 0.336 nan 8.370 nan 0.000 0.472 198 L N 0.154 121.266 121.223 -0.185 0.000 2.046 198 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 198 L C 2.350 179.221 176.870 0.002 0.000 1.077 198 L CA 0.806 55.627 54.840 -0.033 0.000 0.747 198 L CB -0.297 41.767 42.059 0.010 0.000 0.896 198 L HN 0.050 nan 8.230 nan 0.000 0.432 199 I N -0.349 120.199 120.570 -0.037 0.000 2.202 199 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 199 I C 2.544 178.620 176.117 -0.069 0.000 1.091 199 I CA 1.292 62.565 61.300 -0.045 0.000 1.368 199 I CB -0.257 37.715 38.000 -0.047 0.000 1.058 199 I HN 0.123 nan 8.210 nan 0.000 0.410 200 K N 0.883 121.240 120.400 -0.072 0.000 2.074 200 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 200 K C 1.287 177.824 176.600 -0.105 0.000 1.048 200 K CA 1.965 58.207 56.287 -0.075 0.000 0.926 200 K CB -0.266 32.196 32.500 -0.063 0.000 0.713 200 K HN 0.345 nan 8.250 nan 0.000 0.444 201 N N 0.399 119.015 118.700 -0.139 0.000 2.370 201 N HA 0.018 4.758 4.740 -0.000 0.000 0.198 201 N C -0.767 174.437 175.510 -0.509 0.000 1.156 201 N CA 0.045 52.941 53.050 -0.258 0.000 0.839 201 N CB 0.543 38.932 38.487 -0.163 0.000 0.989 201 N HN -0.005 nan 8.380 nan 0.000 0.468 202 K N -0.866 119.355 120.400 -0.298 0.000 3.230 202 K HA -0.240 4.080 4.320 -0.000 0.000 0.285 202 K C -0.371 176.089 176.600 -0.233 0.000 1.196 202 K CA 0.825 56.974 56.287 -0.230 0.000 0.838 202 K CB -2.315 30.072 32.500 -0.188 0.000 1.262 202 K HN 0.650 nan 8.250 nan 0.000 0.492 203 H N -1.305 117.765 119.070 -0.000 0.000 2.544 203 H HA 0.298 4.854 4.556 -0.000 0.000 0.269 203 H C 1.075 176.430 175.328 0.044 0.000 0.970 203 H CA 0.588 56.652 56.048 0.026 0.000 1.219 203 H CB 0.357 30.139 29.762 0.033 0.000 1.421 203 H HN 0.120 nan 8.280 nan 0.000 0.555 204 M N -0.530 119.130 119.600 0.100 0.000 2.683 204 M HA 0.240 4.720 4.480 -0.000 0.000 0.274 204 M C -1.238 175.062 176.300 0.001 0.000 1.272 204 M CA -0.813 54.525 55.300 0.062 0.000 0.833 204 M CB 2.761 35.407 32.600 0.077 0.000 1.708 204 M HN -0.019 nan 8.290 nan 0.000 0.463 205 N N -0.026 118.662 118.700 -0.021 0.000 2.314 205 N HA 0.491 5.231 4.740 -0.000 0.000 0.294 205 N C -0.022 175.452 175.510 -0.060 0.000 1.029 205 N CA 0.078 53.105 53.050 -0.038 0.000 0.845 205 N CB 2.281 40.750 38.487 -0.029 0.000 1.321 205 N HN 0.818 nan 8.380 nan 0.000 0.481 206 A N 1.793 124.580 122.820 -0.056 0.000 2.070 206 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 206 A C 1.458 179.004 177.584 -0.063 0.000 1.159 206 A CA 1.803 53.802 52.037 -0.062 0.000 0.656 206 A CB -0.269 18.702 19.000 -0.049 0.000 0.800 206 A HN 0.704 nan 8.150 nan 0.000 0.453 207 D N -1.261 119.107 120.400 -0.054 0.000 2.339 207 D HA 0.044 4.684 4.640 -0.000 0.000 0.217 207 D C 0.411 176.678 176.300 -0.055 0.000 1.050 207 D CA 0.622 54.593 54.000 -0.047 0.000 0.856 207 D CB -0.440 40.339 40.800 -0.034 0.000 0.922 207 D HN 0.438 nan 8.370 nan 0.000 0.518 208 T N 2.229 116.738 114.554 -0.075 0.000 2.829 208 T HA 0.325 4.675 4.350 -0.000 0.000 0.293 208 T C -0.111 174.524 174.700 -0.108 0.000 0.970 208 T CA 0.194 62.242 62.100 -0.088 0.000 1.168 208 T CB 0.805 69.608 68.868 -0.109 0.000 0.911 208 T HN 0.626 nan 8.240 nan 0.000 0.535 209 D N 1.294 121.647 120.400 -0.078 0.000 2.668 209 D HA 0.229 4.869 4.640 -0.000 0.000 0.249 209 D C 1.011 177.272 176.300 -0.065 0.000 1.150 209 D CA -0.877 53.084 54.000 -0.064 0.000 1.090 209 D CB 0.121 40.910 40.800 -0.020 0.000 1.244 209 D HN 0.334 nan 8.370 nan 0.000 0.636 210 Y N -0.321 119.893 120.300 -0.144 0.000 2.184 210 Y HA -0.078 4.472 4.550 -0.000 0.000 0.290 210 Y C 2.616 178.485 175.900 -0.051 0.000 1.129 210 Y CA 2.040 60.052 58.100 -0.147 0.000 1.144 210 Y CB -0.221 38.153 38.460 -0.143 0.000 0.995 210 Y HN 0.335 nan 8.280 nan 0.000 0.513 211 S N 0.015 115.767 115.700 0.088 0.000 2.368 211 S HA -0.165 4.305 4.470 -0.000 0.000 0.225 211 S C 1.953 176.538 174.600 -0.025 0.000 1.030 211 S CA 1.711 59.940 58.200 0.049 0.000 0.999 211 S CB -0.546 62.699 63.200 0.076 0.000 0.844 211 S HN 0.506 nan 8.310 nan 0.000 0.459 212 I N 1.205 121.756 120.570 -0.031 0.000 2.353 212 I HA -0.105 4.065 4.170 -0.000 0.000 0.248 212 I C 2.663 178.756 176.117 -0.040 0.000 1.119 212 I CA 0.970 62.253 61.300 -0.028 0.000 1.417 212 I CB -0.441 37.544 38.000 -0.025 0.000 1.078 212 I HN 0.315 nan 8.210 nan 0.000 0.421 213 A N 0.474 123.243 122.820 -0.085 0.000 1.873 213 A HA -0.260 4.060 4.320 -0.000 0.000 0.215 213 A C 2.319 179.865 177.584 -0.063 0.000 1.186 213 A CA 1.901 53.897 52.037 -0.068 0.000 0.616 213 A CB -0.659 18.276 19.000 -0.108 0.000 0.823 213 A HN 0.470 nan 8.150 nan 0.000 0.442 214 E N -0.146 119.943 120.200 -0.184 0.000 2.077 214 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 214 E C 2.105 178.709 176.600 0.007 0.000 0.989 214 E CA 1.120 57.443 56.400 -0.129 0.000 0.800 214 E CB -0.259 29.299 29.700 -0.236 0.000 0.746 214 E HN 0.526 nan 8.360 nan 0.000 0.452 215 A N 1.254 124.073 122.820 -0.001 0.000 1.873 215 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 215 A C 2.440 180.042 177.584 0.030 0.000 1.186 215 A CA 1.775 53.824 52.037 0.019 0.000 0.616 215 A CB -0.909 18.098 19.000 0.012 0.000 0.823 215 A HN 0.424 nan 8.150 nan 0.000 0.442 216 A N -1.087 121.756 122.820 0.037 0.000 1.873 216 A HA -0.149 4.170 4.320 -0.000 0.000 0.218 216 A C 2.115 179.737 177.584 0.063 0.000 1.193 216 A CA 1.845 53.910 52.037 0.046 0.000 0.629 216 A CB -0.809 18.227 19.000 0.059 0.000 0.826 216 A HN 0.702 nan 8.150 nan 0.000 0.447 217 F N 1.021 120.956 119.950 -0.025 0.000 2.146 217 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 217 F C 2.021 177.802 175.800 -0.032 0.000 1.096 217 F CA 1.984 59.970 58.000 -0.024 0.000 1.275 217 F CB -0.343 38.637 39.000 -0.033 0.000 1.008 217 F HN 0.307 nan 8.300 nan 0.000 0.480 218 N N -0.229 118.526 118.700 0.090 0.000 2.396 218 N HA -0.116 4.624 4.740 -0.000 0.000 0.180 218 N C 1.381 176.853 175.510 -0.063 0.000 1.028 218 N CA 0.524 53.582 53.050 0.012 0.000 0.893 218 N CB -0.047 38.480 38.487 0.067 0.000 0.967 218 N HN 0.333 nan 8.380 nan 0.000 0.440 219 K N 0.069 120.432 120.400 -0.061 0.000 2.361 219 K HA 0.067 4.387 4.320 -0.000 0.000 0.196 219 K C 0.799 177.337 176.600 -0.103 0.000 1.039 219 K CA 0.354 56.604 56.287 -0.061 0.000 1.001 219 K CB 0.574 33.056 32.500 -0.030 0.000 0.795 219 K HN 0.198 nan 8.250 nan 0.000 0.495 220 G N 2.095 110.788 108.800 -0.178 0.000 2.142 220 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.225 220 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.225 220 G C 0.250 175.074 174.900 -0.127 0.000 1.015 220 G CA 0.257 45.231 45.100 -0.210 0.000 0.716 220 G HN 0.398 nan 8.290 nan 0.000 0.508 221 E N -0.909 119.240 120.200 -0.085 0.000 2.340 221 E HA 0.180 4.530 4.350 -0.000 0.000 0.194 221 E C 1.111 177.710 176.600 -0.002 0.000 0.996 221 E CA 0.985 57.367 56.400 -0.031 0.000 0.869 221 E CB 0.577 30.272 29.700 -0.009 0.000 0.835 221 E HN 0.324 nan 8.360 nan 0.000 0.493 222 T N -1.348 113.211 114.554 0.008 0.000 2.893 222 T HA 0.505 4.855 4.350 -0.000 0.000 0.291 222 T C 0.321 175.082 174.700 0.102 0.000 1.028 222 T CA -0.234 61.917 62.100 0.085 0.000 0.995 222 T CB 1.678 70.641 68.868 0.158 0.000 1.051 222 T HN -0.008 nan 8.240 nan 0.000 0.470 223 A N 4.079 126.983 122.820 0.140 0.000 2.016 223 A HA 0.430 4.750 4.320 -0.000 0.000 0.217 223 A C 0.781 178.586 177.584 0.369 0.000 1.162 223 A CA 0.733 52.871 52.037 0.168 0.000 0.662 223 A CB -0.162 18.909 19.000 0.119 0.000 0.812 223 A HN 0.734 nan 8.150 nan 0.000 0.450 224 M N -1.945 117.872 119.600 0.360 0.000 2.593 224 M HA 0.477 4.957 4.480 -0.000 0.000 0.290 224 M C -0.654 175.743 176.300 0.161 0.000 1.244 224 M CA -0.253 55.217 55.300 0.283 0.000 0.857 224 M CB 2.584 35.246 32.600 0.103 0.000 1.738 224 M HN 0.054 nan 8.290 nan 0.000 0.461 225 T N 1.078 115.543 114.554 -0.148 0.000 2.864 225 T HA 0.780 5.130 4.350 -0.000 0.000 0.299 225 T C -1.838 172.772 174.700 -0.150 0.000 1.166 225 T CA -0.559 61.454 62.100 -0.145 0.000 1.007 225 T CB 1.327 70.007 68.868 -0.314 0.000 1.219 225 T HN 0.561 nan 8.240 nan 0.000 0.506 226 I N 3.953 124.509 120.570 -0.023 0.000 2.382 226 I HA 0.552 4.722 4.170 -0.000 0.000 0.286 226 I C -0.068 176.179 176.117 0.217 0.000 1.002 226 I CA -0.644 60.647 61.300 -0.016 0.000 1.135 226 I CB 1.424 39.283 38.000 -0.235 0.000 1.288 226 I HN 0.482 nan 8.210 nan 0.000 0.448 227 N N 3.102 121.874 118.700 0.120 0.000 3.116 227 N HA 0.516 5.256 4.740 -0.000 0.000 0.244 227 N C -1.005 174.373 175.510 -0.220 0.000 1.485 227 N CA -0.400 52.739 53.050 0.148 0.000 0.884 227 N CB 2.425 40.944 38.487 0.055 0.000 1.415 227 N HN 0.623 nan 8.380 nan 0.000 0.524 228 G N 0.055 108.326 108.800 -0.881 0.000 2.552 228 G HA2 0.489 4.449 3.960 -0.000 0.000 0.324 228 G HA3 0.489 4.449 3.960 -0.000 0.000 0.324 228 G C -1.907 172.036 174.900 -1.596 0.000 1.217 228 G CA -1.227 42.954 45.100 -1.530 0.000 0.989 228 G HN 0.323 nan 8.290 nan 0.000 0.490 229 P HA -0.140 nan 4.420 nan 0.000 0.218 229 P C 1.382 177.979 177.300 -1.173 0.000 1.146 229 P CA 1.599 63.549 63.100 -1.916 0.000 0.813 229 P CB -0.022 30.898 31.700 -1.301 0.000 0.778 230 W N -0.246 120.798 121.300 -0.427 0.000 2.424 230 W HA 0.051 4.711 4.660 -0.000 0.000 0.264 230 W C 1.757 178.231 176.519 -0.077 0.000 1.229 230 W CA 0.951 58.179 57.345 -0.195 0.000 1.208 230 W CB -1.822 27.573 29.460 -0.108 0.000 1.127 230 W HN -0.109 nan 8.180 nan 0.000 0.588 231 A N -0.453 122.188 122.820 -0.297 0.000 2.147 231 A HA 0.101 4.421 4.320 -0.000 0.000 0.211 231 A C 1.540 179.177 177.584 0.088 0.000 1.160 231 A CA 0.565 52.610 52.037 0.012 0.000 0.781 231 A CB -1.084 17.887 19.000 -0.048 0.000 0.842 231 A HN 0.346 nan 8.150 nan 0.000 0.475 232 W N 0.316 121.542 121.300 -0.123 0.000 2.342 232 W HA -0.122 4.538 4.660 -0.000 0.000 0.297 232 W C 2.723 179.221 176.519 -0.034 0.000 1.213 232 W CA 0.779 58.051 57.345 -0.120 0.000 1.251 232 W CB -1.455 28.011 29.460 0.010 0.000 1.136 232 W HN 0.398 nan 8.180 nan 0.000 0.526 233 S N 0.434 116.283 115.700 0.248 0.000 2.368 233 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 233 S C 1.749 176.427 174.600 0.129 0.000 1.030 233 S CA 1.724 60.031 58.200 0.178 0.000 0.999 233 S CB -0.324 62.962 63.200 0.143 0.000 0.844 233 S HN 0.149 nan 8.310 nan 0.000 0.459 234 N N 1.288 120.057 118.700 0.114 0.000 2.244 234 N HA 0.073 4.813 4.740 -0.000 0.000 0.183 234 N C 1.640 177.185 175.510 0.060 0.000 1.016 234 N CA 1.180 54.284 53.050 0.089 0.000 0.866 234 N CB -0.410 38.138 38.487 0.103 0.000 0.980 234 N HN 0.535 nan 8.380 nan 0.000 0.430 235 I N 0.603 121.180 120.570 0.012 0.000 2.286 235 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 235 I C 1.402 177.552 176.117 0.055 0.000 1.104 235 I CA 0.850 62.110 61.300 -0.066 0.000 1.397 235 I CB -0.297 37.423 38.000 -0.466 0.000 1.072 235 I HN -0.094 nan 8.210 nan 0.000 0.417 236 D N 1.070 121.555 120.400 0.142 0.000 2.133 236 D HA -0.177 4.463 4.640 -0.000 0.000 0.192 236 D C 2.221 178.593 176.300 0.119 0.000 1.001 236 D CA 1.873 55.995 54.000 0.203 0.000 0.844 236 D CB -0.518 40.394 40.800 0.187 0.000 0.944 236 D HN 0.271 nan 8.370 nan 0.000 0.447 237 T N -0.045 114.563 114.554 0.090 0.000 2.904 237 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 237 T C 2.029 176.759 174.700 0.050 0.000 1.059 237 T CA 1.438 63.577 62.100 0.064 0.000 1.137 237 T CB -0.250 68.654 68.868 0.060 0.000 0.879 237 T HN 0.248 nan 8.240 nan 0.000 0.467 238 S N 1.176 116.906 115.700 0.050 0.000 2.474 238 S HA 0.040 4.510 4.470 -0.000 0.000 0.235 238 S C 1.586 176.200 174.600 0.022 0.000 0.997 238 S CA 1.694 59.912 58.200 0.030 0.000 0.949 238 S CB -0.818 62.395 63.200 0.022 0.000 0.766 238 S HN 0.726 nan 8.310 nan 0.000 0.517 239 K N -0.923 119.504 120.400 0.044 0.000 3.391 239 K HA -0.114 4.206 4.320 -0.000 0.000 0.307 239 K C 0.173 176.787 176.600 0.023 0.000 1.304 239 K CA 1.013 57.320 56.287 0.034 0.000 0.904 239 K CB -2.872 29.635 32.500 0.012 0.000 1.293 239 K HN 0.613 nan 8.250 nan 0.000 0.470 240 V N 1.804 121.741 119.914 0.038 0.000 2.572 240 V HA 0.227 4.347 4.120 -0.000 0.000 0.291 240 V C 0.874 177.015 176.094 0.078 0.000 1.039 240 V CA -0.250 62.052 62.300 0.002 0.000 1.055 240 V CB 1.470 33.238 31.823 -0.091 0.000 0.969 240 V HN 0.641 nan 8.190 nan 0.000 0.482 241 N N 5.362 124.054 118.700 -0.013 0.000 2.549 241 N HA 0.075 4.815 4.740 -0.000 0.000 0.267 241 N C -0.757 174.709 175.510 -0.074 0.000 1.182 241 N CA -0.119 52.896 53.050 -0.059 0.000 1.019 241 N CB -0.334 38.104 38.487 -0.081 0.000 1.380 241 N HN 0.620 nan 8.380 nan 0.000 0.505 242 Y N 0.141 120.341 120.300 -0.168 0.000 2.457 242 Y HA 0.850 5.400 4.550 -0.000 0.000 0.333 242 Y C 0.414 176.068 175.900 -0.411 0.000 1.119 242 Y CA -1.346 56.620 58.100 -0.223 0.000 1.143 242 Y CB 0.864 39.329 38.460 0.008 0.000 1.230 242 Y HN 0.186 nan 8.280 nan 0.000 0.469 243 G N 1.053 109.418 108.800 -0.725 0.000 2.568 243 G HA2 0.632 4.591 3.960 -0.000 0.000 0.313 243 G HA3 0.632 4.591 3.960 -0.000 0.000 0.313 243 G C -1.960 172.755 174.900 -0.308 0.000 1.227 243 G CA -1.192 43.471 45.100 -0.728 0.000 0.979 243 G HN 0.700 nan 8.290 nan 0.000 0.486 244 V N -0.223 119.631 119.914 -0.098 0.000 2.638 244 V HA 0.774 4.894 4.120 -0.000 0.000 0.306 244 V C 0.047 176.201 176.094 0.101 0.000 1.052 244 V CA -0.469 61.842 62.300 0.019 0.000 0.885 244 V CB 1.567 33.300 31.823 -0.151 0.000 0.999 244 V HN 0.977 nan 8.190 nan 0.000 0.424 245 T N 2.324 116.951 114.554 0.122 0.000 2.754 245 T HA 0.523 4.873 4.350 -0.000 0.000 0.296 245 T C -0.992 173.699 174.700 -0.015 0.000 1.205 245 T CA -0.294 61.834 62.100 0.046 0.000 1.009 245 T CB 1.998 70.868 68.868 0.004 0.000 1.368 245 T HN 0.540 nan 8.240 nan 0.000 0.509 246 V N 2.996 122.877 119.914 -0.055 0.000 2.763 246 V HA 0.364 4.484 4.120 -0.000 0.000 0.306 246 V C 0.220 176.249 176.094 -0.108 0.000 1.059 246 V CA -0.002 62.255 62.300 -0.071 0.000 1.138 246 V CB 0.032 31.809 31.823 -0.076 0.000 0.940 246 V HN 0.711 nan 8.190 nan 0.000 0.489 247 L N 7.744 128.905 121.223 -0.103 0.000 2.467 247 L HA 0.282 4.622 4.340 -0.000 0.000 0.270 247 L C -1.980 174.780 176.870 -0.184 0.000 1.205 247 L CA -1.377 53.373 54.840 -0.149 0.000 0.828 247 L CB -0.022 41.991 42.059 -0.078 0.000 1.101 247 L HN 0.542 nan 8.230 nan 0.000 0.479 248 P HA 0.074 nan 4.420 nan 0.000 0.272 248 P C -0.501 176.758 177.300 -0.069 0.000 1.223 248 P CA -0.465 62.418 63.100 -0.361 0.000 0.784 248 P CB 0.447 31.636 31.700 -0.853 0.000 0.923 249 T N -0.776 113.782 114.554 0.007 0.000 2.828 249 T HA 0.483 4.833 4.350 -0.000 0.000 0.290 249 T C -0.709 174.178 174.700 0.310 0.000 1.019 249 T CA -0.265 61.905 62.100 0.116 0.000 1.031 249 T CB 0.165 69.043 68.868 0.016 0.000 1.001 249 T HN 0.242 nan 8.240 nan 0.000 0.531 250 F N 1.123 121.097 119.950 0.041 0.000 2.562 250 F HA 0.483 5.009 4.527 -0.000 0.000 0.319 250 F C 0.171 175.900 175.800 -0.119 0.000 1.154 250 F CA -1.189 56.760 58.000 -0.085 0.000 0.931 250 F CB 1.201 40.060 39.000 -0.235 0.000 1.198 250 F HN 0.899 nan 8.300 nan 0.000 0.444 251 K N 4.649 124.604 120.400 -0.742 0.000 3.077 251 K HA -0.166 4.154 4.320 -0.000 0.000 0.264 251 K C 0.929 177.362 176.600 -0.277 0.000 1.008 251 K CA 0.933 56.873 56.287 -0.579 0.000 0.740 251 K CB -1.546 30.499 32.500 -0.759 0.000 1.273 251 K HN 1.491 nan 8.250 nan 0.000 0.477 252 G N -0.917 107.778 108.800 -0.175 0.000 2.212 252 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.266 252 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.266 252 G C -0.177 174.679 174.900 -0.072 0.000 0.978 252 G CA 0.602 45.640 45.100 -0.103 0.000 0.632 252 G HN 0.296 nan 8.290 nan 0.000 0.537 253 Q N 1.014 120.773 119.800 -0.068 0.000 2.256 253 Q HA 0.473 4.813 4.340 -0.000 0.000 0.257 253 Q C -2.438 173.568 176.000 0.010 0.000 0.936 253 Q CA -2.249 53.534 55.803 -0.032 0.000 0.903 253 Q CB 2.059 30.776 28.738 -0.034 0.000 1.263 253 Q HN 0.315 nan 8.270 nan 0.000 0.440 254 P HA 0.014 nan 4.420 nan 0.000 0.269 254 P C -0.363 176.946 177.300 0.015 0.000 1.209 254 P CA 0.039 63.139 63.100 -0.001 0.000 0.776 254 P CB 0.651 32.331 31.700 -0.033 0.000 0.876 255 S N 2.189 117.918 115.700 0.047 0.000 2.562 255 S HA 0.086 4.556 4.470 -0.000 0.000 0.281 255 S C 0.450 175.024 174.600 -0.044 0.000 1.333 255 S CA -0.115 58.108 58.200 0.038 0.000 1.052 255 S CB -0.055 63.226 63.200 0.136 0.000 0.884 255 S HN 0.290 nan 8.310 nan 0.000 0.506 256 K N 3.613 123.951 120.400 -0.105 0.000 2.499 256 K HA 0.281 4.601 4.320 -0.000 0.000 0.215 256 K C -2.623 173.878 176.600 -0.166 0.000 1.041 256 K CA -1.708 54.504 56.287 -0.126 0.000 1.031 256 K CB 1.099 33.522 32.500 -0.128 0.000 1.479 256 K HN 0.400 nan 8.250 nan 0.000 0.518 257 P HA 0.088 nan 4.420 nan 0.000 0.274 257 P C -0.450 176.790 177.300 -0.100 0.000 1.231 257 P CA -0.406 62.605 63.100 -0.149 0.000 0.790 257 P CB 0.537 32.181 31.700 -0.094 0.000 0.951 258 F N 0.447 120.433 119.950 0.058 0.000 2.529 258 F HA 0.073 4.600 4.527 -0.000 0.000 0.365 258 F C 0.829 176.740 175.800 0.185 0.000 1.102 258 F CA 0.322 58.415 58.000 0.154 0.000 1.271 258 F CB 0.069 39.222 39.000 0.254 0.000 1.120 258 F HN -0.027 nan 8.300 nan 0.000 0.579 259 V N 2.737 122.917 119.914 0.443 0.000 2.398 259 V HA 0.668 4.787 4.120 -0.000 0.000 0.286 259 V C 0.372 176.689 176.094 0.371 0.000 1.026 259 V CA -0.867 61.633 62.300 0.333 0.000 0.868 259 V CB 1.300 33.283 31.823 0.266 0.000 0.982 259 V HN 0.893 nan 8.190 nan 0.000 0.443 260 G N 3.092 112.085 108.800 0.322 0.000 2.372 260 G HA2 0.605 4.564 3.960 -0.000 0.000 0.323 260 G HA3 0.605 4.564 3.960 -0.000 0.000 0.323 260 G C -1.097 173.905 174.900 0.169 0.000 1.152 260 G CA -0.444 44.848 45.100 0.319 0.000 0.906 260 G HN 0.559 nan 8.290 nan 0.000 0.460 261 V N 4.361 124.368 119.914 0.155 0.000 2.376 261 V HA 0.263 4.383 4.120 -0.000 0.000 0.287 261 V C 0.169 176.237 176.094 -0.044 0.000 1.015 261 V CA -0.988 61.281 62.300 -0.052 0.000 0.834 261 V CB 1.559 33.212 31.823 -0.284 0.000 1.001 261 V HN 0.710 nan 8.190 nan 0.000 0.428 262 L N 4.970 126.160 121.223 -0.055 0.000 2.500 262 L HA 0.352 4.692 4.340 -0.000 0.000 0.272 262 L C 0.063 176.905 176.870 -0.048 0.000 1.149 262 L CA 1.107 55.906 54.840 -0.068 0.000 0.897 262 L CB 0.842 42.893 42.059 -0.013 0.000 1.178 262 L HN 0.753 nan 8.230 nan 0.000 0.473 263 S N 3.874 119.488 115.700 -0.144 0.000 2.536 263 S HA 0.753 5.223 4.470 -0.000 0.000 0.298 263 S C -0.289 174.285 174.600 -0.044 0.000 1.083 263 S CA -0.638 57.484 58.200 -0.130 0.000 0.995 263 S CB 1.933 64.963 63.200 -0.284 0.000 1.058 263 S HN 0.784 nan 8.310 nan 0.000 0.488 264 A N 1.762 124.558 122.820 -0.042 0.000 2.277 264 A HA 0.726 5.046 4.320 -0.000 0.000 0.318 264 A C 0.367 177.989 177.584 0.064 0.000 1.339 264 A CA -0.591 51.228 52.037 -0.363 0.000 0.875 264 A CB -0.069 18.504 19.000 -0.712 0.000 1.158 264 A HN 0.884 nan 8.150 nan 0.000 0.514 265 G N 1.247 110.118 108.800 0.119 0.000 2.410 265 G HA2 0.594 4.554 3.960 -0.000 0.000 0.330 265 G HA3 0.594 4.554 3.960 -0.000 0.000 0.330 265 G C -0.474 174.342 174.900 -0.140 0.000 1.142 265 G CA -0.637 44.434 45.100 -0.048 0.000 0.902 265 G HN 0.667 nan 8.290 nan 0.000 0.491 266 I N 1.372 121.892 120.570 -0.084 0.000 2.377 266 I HA 0.159 4.328 4.170 -0.000 0.000 0.293 266 I C 0.003 176.073 176.117 -0.078 0.000 0.987 266 I CA -1.043 60.217 61.300 -0.067 0.000 1.185 266 I CB 1.728 39.730 38.000 0.004 0.000 1.341 266 I HN 0.340 nan 8.210 nan 0.000 0.455 267 N N 4.106 122.768 118.700 -0.063 0.000 2.411 267 N HA 0.003 4.743 4.740 -0.000 0.000 0.261 267 N C 0.855 176.332 175.510 -0.055 0.000 1.248 267 N CA 0.375 53.412 53.050 -0.021 0.000 0.885 267 N CB 1.506 39.963 38.487 -0.050 0.000 1.062 267 N HN 0.822 nan 8.380 nan 0.000 0.471 268 A N 4.146 126.928 122.820 -0.062 0.000 1.972 268 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 268 A C 1.916 179.450 177.584 -0.084 0.000 1.169 268 A CA 1.828 53.823 52.037 -0.071 0.000 0.635 268 A CB -0.543 18.410 19.000 -0.078 0.000 0.810 268 A HN 0.766 nan 8.150 nan 0.000 0.446 269 A N -0.803 121.949 122.820 -0.113 0.000 2.169 269 A HA 0.285 4.605 4.320 -0.000 0.000 0.212 269 A C 1.451 178.975 177.584 -0.101 0.000 1.153 269 A CA 0.768 52.735 52.037 -0.117 0.000 0.756 269 A CB -0.513 18.395 19.000 -0.154 0.000 0.813 269 A HN 0.442 nan 8.150 nan 0.000 0.471 270 S N 0.617 116.261 115.700 -0.093 0.000 2.549 270 S HA 0.299 4.769 4.470 -0.000 0.000 0.283 270 S C -1.479 173.084 174.600 -0.061 0.000 1.320 270 S CA -0.950 57.199 58.200 -0.084 0.000 1.058 270 S CB 0.779 63.930 63.200 -0.082 0.000 0.882 270 S HN 0.260 nan 8.310 nan 0.000 0.498 271 P HA 0.178 nan 4.420 nan 0.000 0.255 271 P C -0.497 176.788 177.300 -0.025 0.000 1.248 271 P CA 0.250 63.328 63.100 -0.038 0.000 0.807 271 P CB -0.253 31.425 31.700 -0.037 0.000 1.150 272 N N 0.057 118.739 118.700 -0.030 0.000 2.453 272 N HA 0.150 4.890 4.740 -0.000 0.000 0.270 272 N C 1.111 176.616 175.510 -0.008 0.000 1.195 272 N CA -0.303 52.739 53.050 -0.015 0.000 0.902 272 N CB 0.141 38.614 38.487 -0.024 0.000 1.186 272 N HN 0.009 nan 8.380 nan 0.000 0.510 273 K N 0.263 120.660 120.400 -0.006 0.000 2.097 273 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 273 K C 1.440 178.058 176.600 0.029 0.000 1.049 273 K CA 1.127 57.418 56.287 0.005 0.000 0.933 273 K CB 0.120 32.622 32.500 0.003 0.000 0.717 273 K HN 0.171 nan 8.250 nan 0.000 0.442 274 E N 0.979 121.201 120.200 0.036 0.000 2.107 274 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 274 E C 2.050 178.702 176.600 0.088 0.000 0.982 274 E CA 0.550 56.983 56.400 0.056 0.000 0.809 274 E CB -0.374 29.356 29.700 0.050 0.000 0.756 274 E HN 0.305 nan 8.360 nan 0.000 0.459 275 L N 0.198 121.480 121.223 0.098 0.000 2.046 275 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 275 L C 2.792 179.715 176.870 0.087 0.000 1.077 275 L CA 1.440 56.384 54.840 0.173 0.000 0.747 275 L CB -0.588 41.568 42.059 0.162 0.000 0.896 275 L HN 0.293 nan 8.230 nan 0.000 0.432 276 A N -0.345 122.477 122.820 0.004 0.000 1.898 276 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 276 A C 2.338 179.926 177.584 0.006 0.000 1.181 276 A CA 1.463 53.475 52.037 -0.042 0.000 0.620 276 A CB -0.384 18.587 19.000 -0.049 0.000 0.819 276 A HN 0.251 nan 8.150 nan 0.000 0.442 277 K N -0.434 119.986 120.400 0.034 0.000 2.127 277 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 277 K C 1.841 178.425 176.600 -0.027 0.000 1.047 277 K CA 1.937 58.234 56.287 0.018 0.000 0.927 277 K CB -0.146 32.390 32.500 0.059 0.000 0.716 277 K HN 0.677 nan 8.250 nan 0.000 0.450 278 E N -0.844 119.410 120.200 0.090 0.000 2.216 278 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 278 E C 1.741 178.531 176.600 0.316 0.000 0.973 278 E CA 0.127 56.647 56.400 0.200 0.000 0.851 278 E CB -0.071 29.819 29.700 0.317 0.000 0.804 278 E HN 0.193 nan 8.360 nan 0.000 0.477 279 F N 2.029 121.954 119.950 -0.043 0.000 2.069 279 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 279 F C 1.884 177.653 175.800 -0.052 0.000 1.113 279 F CA 1.486 59.312 58.000 -0.289 0.000 1.214 279 F CB -0.069 38.450 39.000 -0.803 0.000 0.978 279 F HN -0.101 nan 8.300 nan 0.000 0.474 280 L N -0.110 121.123 121.223 0.017 0.000 1.988 280 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 280 L C 2.507 179.219 176.870 -0.263 0.000 1.071 280 L CA 1.725 56.469 54.840 -0.161 0.000 0.744 280 L CB -0.911 40.923 42.059 -0.375 0.000 0.893 280 L HN 0.128 nan 8.230 nan 0.000 0.433 281 E N 0.260 120.231 120.200 -0.382 0.000 2.031 281 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 281 E C 1.239 177.800 176.600 -0.064 0.000 0.994 281 E CA 1.251 57.410 56.400 -0.402 0.000 0.800 281 E CB -0.004 29.312 29.700 -0.640 0.000 0.752 281 E HN 0.488 nan 8.360 nan 0.000 0.447 282 N N -1.299 117.373 118.700 -0.046 0.000 2.203 282 N HA 0.060 4.800 4.740 -0.000 0.000 0.207 282 N C 0.243 175.564 175.510 -0.316 0.000 1.130 282 N CA 0.335 53.325 53.050 -0.100 0.000 0.861 282 N CB 0.634 39.074 38.487 -0.077 0.000 1.005 282 N HN 0.210 nan 8.380 nan 0.000 0.507 283 Y N -0.646 119.566 120.300 -0.146 0.000 2.912 283 Y HA 0.203 4.753 4.550 -0.000 0.000 0.250 283 Y C 1.684 177.379 175.900 -0.342 0.000 1.073 283 Y CA -0.302 57.650 58.100 -0.247 0.000 1.275 283 Y CB 0.059 38.321 38.460 -0.330 0.000 1.470 283 Y HN -0.118 nan 8.280 nan 0.000 0.447 284 L N 0.297 121.335 121.223 -0.309 0.000 2.049 284 L HA 0.121 4.461 4.340 -0.000 0.000 0.203 284 L C 0.833 177.661 176.870 -0.071 0.000 1.074 284 L CA 1.766 56.476 54.840 -0.217 0.000 0.749 284 L CB -0.471 41.505 42.059 -0.138 0.000 0.907 284 L HN 0.122 nan 8.230 nan 0.000 0.439 285 L N 1.332 122.551 121.223 -0.008 0.000 2.821 285 L HA 0.156 4.496 4.340 -0.000 0.000 0.239 285 L C 0.030 176.931 176.870 0.052 0.000 1.391 285 L CA -0.082 54.804 54.840 0.077 0.000 1.231 285 L CB -1.419 40.785 42.059 0.240 0.000 1.598 285 L HN 0.414 nan 8.230 nan 0.000 0.428 286 T N -6.526 108.008 114.554 -0.033 0.000 2.888 286 T HA 0.289 4.639 4.350 -0.000 0.000 0.288 286 T C 0.630 175.258 174.700 -0.120 0.000 1.063 286 T CA -0.865 61.202 62.100 -0.056 0.000 1.010 286 T CB 1.912 70.730 68.868 -0.084 0.000 1.214 286 T HN -0.014 nan 8.240 nan 0.000 0.533 287 D N 0.501 120.840 120.400 -0.102 0.000 2.178 287 D HA -0.050 4.590 4.640 -0.000 0.000 0.202 287 D C 1.663 177.794 176.300 -0.281 0.000 0.974 287 D CA 1.294 55.192 54.000 -0.170 0.000 0.841 287 D CB 0.013 40.824 40.800 0.018 0.000 0.953 287 D HN 0.743 nan 8.370 nan 0.000 0.478 288 E N 0.584 120.688 120.200 -0.159 0.000 2.158 288 E HA 0.027 4.377 4.350 -0.000 0.000 0.191 288 E C 2.206 178.718 176.600 -0.147 0.000 0.982 288 E CA 0.942 57.265 56.400 -0.128 0.000 0.823 288 E CB -0.629 29.031 29.700 -0.067 0.000 0.766 288 E HN 0.256 nan 8.360 nan 0.000 0.468 289 G N 1.374 110.083 108.800 -0.151 0.000 2.453 289 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.215 289 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.215 289 G C 1.529 176.326 174.900 -0.171 0.000 1.201 289 G CA 0.640 45.659 45.100 -0.134 0.000 0.784 289 G HN 0.144 nan 8.290 nan 0.000 0.545 290 L N 0.199 121.261 121.223 -0.268 0.000 2.201 290 L HA 0.011 4.351 4.340 -0.000 0.000 0.212 290 L C 2.701 179.317 176.870 -0.425 0.000 1.105 290 L CA 1.231 55.882 54.840 -0.315 0.000 0.775 290 L CB -0.336 41.506 42.059 -0.362 0.000 0.913 290 L HN 0.373 nan 8.230 nan 0.000 0.440 291 E N 0.635 120.473 120.200 -0.603 0.000 2.072 291 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 291 E C 2.291 178.835 176.600 -0.094 0.000 0.985 291 E CA 1.121 57.327 56.400 -0.323 0.000 0.801 291 E CB 0.020 29.590 29.700 -0.216 0.000 0.750 291 E HN 0.412 nan 8.360 nan 0.000 0.452 292 A N 0.415 123.177 122.820 -0.098 0.000 1.908 292 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 292 A C 2.368 179.930 177.584 -0.036 0.000 1.181 292 A CA 1.658 53.669 52.037 -0.043 0.000 0.627 292 A CB -0.653 18.329 19.000 -0.030 0.000 0.818 292 A HN 0.237 nan 8.150 nan 0.000 0.445 293 V N 0.273 120.158 119.914 -0.049 0.000 2.379 293 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 293 V C 2.308 178.391 176.094 -0.018 0.000 1.044 293 V CA 2.160 64.435 62.300 -0.042 0.000 1.036 293 V CB -1.089 30.704 31.823 -0.050 0.000 0.664 293 V HN 0.729 nan 8.190 nan 0.000 0.453 294 N N 0.206 118.916 118.700 0.017 0.000 2.244 294 N HA -0.168 4.572 4.740 -0.000 0.000 0.183 294 N C 1.918 177.466 175.510 0.064 0.000 1.016 294 N CA 1.201 54.300 53.050 0.082 0.000 0.866 294 N CB -0.083 38.534 38.487 0.217 0.000 0.980 294 N HN 0.214 nan 8.380 nan 0.000 0.430 295 K N 0.039 120.465 120.400 0.042 0.000 2.103 295 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 295 K C 1.482 178.080 176.600 -0.003 0.000 1.052 295 K CA 1.338 57.642 56.287 0.029 0.000 0.945 295 K CB -0.645 31.869 32.500 0.024 0.000 0.722 295 K HN 0.412 nan 8.250 nan 0.000 0.443 296 D N 0.131 120.513 120.400 -0.030 0.000 2.081 296 D HA -0.030 4.610 4.640 -0.000 0.000 0.194 296 D C 0.195 176.454 176.300 -0.068 0.000 0.986 296 D CA 1.505 55.461 54.000 -0.073 0.000 0.837 296 D CB 0.195 40.925 40.800 -0.117 0.000 0.985 296 D HN 0.228 nan 8.370 nan 0.000 0.448 297 K N -0.417 119.950 120.400 -0.055 0.000 2.535 297 K HA 0.393 4.713 4.320 -0.000 0.000 0.250 297 K C -2.677 173.926 176.600 0.006 0.000 0.948 297 K CA -1.861 54.408 56.287 -0.029 0.000 0.796 297 K CB 2.906 35.373 32.500 -0.054 0.000 1.216 297 K HN -0.077 nan 8.250 nan 0.000 0.432 298 P HA 0.018 nan 4.420 nan 0.000 0.264 298 P C 0.049 177.380 177.300 0.052 0.000 1.193 298 P CA 0.095 63.234 63.100 0.066 0.000 0.763 298 P CB 0.545 32.299 31.700 0.090 0.000 0.810 299 L N 1.981 123.247 121.223 0.072 0.000 2.492 299 L HA 0.156 4.496 4.340 -0.000 0.000 0.223 299 L C 1.584 178.482 176.870 0.047 0.000 1.132 299 L CA 0.856 55.730 54.840 0.057 0.000 0.850 299 L CB -0.900 41.211 42.059 0.086 0.000 0.966 299 L HN 0.725 nan 8.230 nan 0.000 0.454 300 G N 0.240 109.077 108.800 0.061 0.000 2.525 300 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.248 300 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.248 300 G C 0.057 175.007 174.900 0.083 0.000 1.238 300 G CA -0.342 44.792 45.100 0.057 0.000 0.926 300 G HN 0.482 nan 8.290 nan 0.000 0.574 301 A N -0.283 122.581 122.820 0.074 0.000 2.477 301 A HA 0.662 4.982 4.320 -0.000 0.000 0.246 301 A C 0.826 178.462 177.584 0.086 0.000 1.078 301 A CA 0.807 52.890 52.037 0.077 0.000 0.770 301 A CB 0.214 19.253 19.000 0.066 0.000 1.011 301 A HN 2.336 nan 8.150 nan 0.000 0.494 302 V N -0.616 119.369 119.914 0.118 0.000 2.919 302 V HA 0.783 4.903 4.120 -0.000 0.000 0.316 302 V C 0.935 177.126 176.094 0.162 0.000 1.077 302 V CA -0.106 62.276 62.300 0.137 0.000 0.977 302 V CB 1.155 33.101 31.823 0.205 0.000 1.039 302 V HN 1.296 nan 8.190 nan 0.000 0.441 303 A N 2.304 125.179 122.820 0.092 0.000 2.014 303 A HA 0.169 4.489 4.320 -0.000 0.000 0.218 303 A C 1.179 178.799 177.584 0.059 0.000 1.163 303 A CA 0.834 52.907 52.037 0.061 0.000 0.652 303 A CB -0.486 18.424 19.000 -0.150 0.000 0.808 303 A HN 1.033 nan 8.150 nan 0.000 0.449 304 L N 1.112 122.364 121.223 0.049 0.000 2.485 304 L HA 0.158 4.498 4.340 -0.000 0.000 0.279 304 L C 1.070 177.937 176.870 -0.004 0.000 1.124 304 L CA 0.185 55.014 54.840 -0.017 0.000 0.888 304 L CB 0.076 42.155 42.059 0.033 0.000 1.217 304 L HN 0.284 nan 8.230 nan 0.000 0.464 305 K N 1.556 121.807 120.400 -0.248 0.000 2.034 305 K HA -0.248 4.072 4.320 -0.000 0.000 0.214 305 K C 1.964 178.552 176.600 -0.020 0.000 1.051 305 K CA 2.155 58.261 56.287 -0.301 0.000 0.931 305 K CB -0.287 31.913 32.500 -0.500 0.000 0.715 305 K HN 0.890 nan 8.250 nan 0.000 0.446 306 S N 0.453 116.142 115.700 -0.018 0.000 2.374 306 S HA -0.246 4.224 4.470 -0.000 0.000 0.227 306 S C 2.012 176.685 174.600 0.123 0.000 1.037 306 S CA 1.506 59.732 58.200 0.043 0.000 1.024 306 S CB -0.643 62.576 63.200 0.031 0.000 0.861 306 S HN 0.379 nan 8.310 nan 0.000 0.456 307 Y N 2.050 122.359 120.300 0.015 0.000 2.448 307 Y HA 0.198 4.748 4.550 -0.000 0.000 0.289 307 Y C 2.385 178.322 175.900 0.061 0.000 1.114 307 Y CA 0.929 59.049 58.100 0.033 0.000 1.235 307 Y CB -0.294 38.182 38.460 0.028 0.000 1.045 307 Y HN 0.223 nan 8.280 nan 0.000 0.554 308 E N 1.048 121.303 120.200 0.092 0.000 2.077 308 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 308 E C 1.728 178.336 176.600 0.014 0.000 0.989 308 E CA 1.987 58.427 56.400 0.067 0.000 0.800 308 E CB -0.197 29.665 29.700 0.270 0.000 0.746 308 E HN 0.617 nan 8.360 nan 0.000 0.452 309 E N -0.289 119.940 120.200 0.047 0.000 2.209 309 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 309 E C 1.809 178.387 176.600 -0.037 0.000 0.993 309 E CA 1.207 57.622 56.400 0.026 0.000 0.819 309 E CB -0.033 29.692 29.700 0.041 0.000 0.745 309 E HN 0.213 nan 8.360 nan 0.000 0.477 310 E N 0.340 120.474 120.200 -0.111 0.000 2.102 310 E HA 0.005 4.354 4.350 -0.000 0.000 0.190 310 E C 1.850 178.322 176.600 -0.215 0.000 0.971 310 E CA 0.394 56.696 56.400 -0.163 0.000 0.821 310 E CB 0.086 29.660 29.700 -0.211 0.000 0.777 310 E HN 0.151 nan 8.360 nan 0.000 0.460 311 L N -0.025 121.010 121.223 -0.314 0.000 2.141 311 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 311 L C 2.211 179.024 176.870 -0.096 0.000 1.094 311 L CA 0.989 55.693 54.840 -0.227 0.000 0.763 311 L CB -0.427 41.494 42.059 -0.230 0.000 0.908 311 L HN 0.125 nan 8.230 nan 0.000 0.437 312 A N -0.254 122.525 122.820 -0.068 0.000 2.178 312 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 312 A C 2.150 179.710 177.584 -0.040 0.000 1.157 312 A CA 1.300 53.317 52.037 -0.033 0.000 0.689 312 A CB -0.358 18.634 19.000 -0.014 0.000 0.787 312 A HN 0.222 nan 8.150 nan 0.000 0.465 313 K N 0.499 120.868 120.400 -0.052 0.000 2.160 313 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 313 K C 0.515 177.082 176.600 -0.054 0.000 1.047 313 K CA 1.130 57.388 56.287 -0.049 0.000 0.930 313 K CB -0.106 32.364 32.500 -0.050 0.000 0.720 313 K HN 0.476 nan 8.250 nan 0.000 0.450 314 D N 0.160 120.527 120.400 -0.055 0.000 2.352 314 D HA 0.026 4.665 4.640 -0.000 0.000 0.245 314 D C -1.833 174.425 176.300 -0.071 0.000 1.224 314 D CA -2.329 51.631 54.000 -0.067 0.000 0.879 314 D CB 1.102 41.875 40.800 -0.045 0.000 1.057 314 D HN -0.020 nan 8.370 nan 0.000 0.491 315 P HA -0.115 nan 4.420 nan 0.000 0.225 315 P C 1.008 178.249 177.300 -0.098 0.000 1.148 315 P CA 0.688 63.739 63.100 -0.082 0.000 0.779 315 P CB 0.447 32.096 31.700 -0.085 0.000 0.780 316 R N -0.435 119.952 120.500 -0.188 0.000 2.073 316 R HA 0.014 4.354 4.340 -0.000 0.000 0.229 316 R C 2.385 178.718 176.300 0.055 0.000 1.120 316 R CA 0.950 56.875 56.100 -0.291 0.000 0.967 316 R CB -0.618 29.134 30.300 -0.913 0.000 0.862 316 R HN 0.157 nan 8.270 nan 0.000 0.436 317 I N 1.005 121.650 120.570 0.125 0.000 2.361 317 I HA -0.174 3.996 4.170 -0.000 0.000 0.251 317 I C 2.421 178.602 176.117 0.107 0.000 1.133 317 I CA 1.211 62.638 61.300 0.211 0.000 1.413 317 I CB -1.185 36.895 38.000 0.134 0.000 1.073 317 I HN 0.155 nan 8.210 nan 0.000 0.424 318 A N 0.946 123.791 122.820 0.043 0.000 1.929 318 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 318 A C 2.596 180.188 177.584 0.013 0.000 1.176 318 A CA 1.534 53.578 52.037 0.012 0.000 0.628 318 A CB -0.580 18.414 19.000 -0.010 0.000 0.816 318 A HN 0.385 nan 8.150 nan 0.000 0.444 319 A N -0.709 122.128 122.820 0.028 0.000 1.902 319 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 319 A C 2.290 179.905 177.584 0.053 0.000 1.181 319 A CA 2.260 54.315 52.037 0.030 0.000 0.623 319 A CB -1.311 17.712 19.000 0.038 0.000 0.818 319 A HN 0.416 nan 8.150 nan 0.000 0.443 320 T N -0.288 114.338 114.554 0.120 0.000 2.684 320 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 320 T C 1.926 176.650 174.700 0.041 0.000 1.036 320 T CA 2.032 64.195 62.100 0.105 0.000 1.148 320 T CB -0.295 68.664 68.868 0.152 0.000 0.863 320 T HN 0.434 nan 8.240 nan 0.000 0.436 321 M N 1.440 121.053 119.600 0.022 0.000 2.099 321 M HA 0.010 4.490 4.480 -0.000 0.000 0.262 321 M C 2.154 178.400 176.300 -0.090 0.000 1.067 321 M CA 1.574 56.853 55.300 -0.034 0.000 1.124 321 M CB -0.586 31.973 32.600 -0.068 0.000 1.353 321 M HN 0.278 nan 8.290 nan 0.000 0.410 322 E N -0.388 119.770 120.200 -0.071 0.000 2.058 322 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 322 E C 1.684 178.222 176.600 -0.104 0.000 0.997 322 E CA 1.623 57.969 56.400 -0.090 0.000 0.801 322 E CB -0.156 29.508 29.700 -0.061 0.000 0.746 322 E HN 0.574 nan 8.360 nan 0.000 0.450 323 N N 0.429 119.087 118.700 -0.071 0.000 2.166 323 N HA -0.160 4.580 4.740 -0.000 0.000 0.186 323 N C 1.726 177.175 175.510 -0.102 0.000 1.019 323 N CA 1.256 54.263 53.050 -0.072 0.000 0.856 323 N CB -0.371 38.093 38.487 -0.038 0.000 0.993 323 N HN 0.257 nan 8.380 nan 0.000 0.426 324 A N 1.400 124.160 122.820 -0.099 0.000 1.902 324 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 324 A C 2.136 179.468 177.584 -0.421 0.000 1.181 324 A CA 1.232 53.192 52.037 -0.127 0.000 0.623 324 A CB -0.548 18.463 19.000 0.019 0.000 0.818 324 A HN 0.334 nan 8.150 nan 0.000 0.443 325 Q N -0.662 118.832 119.800 -0.509 0.000 2.224 325 Q HA -0.097 4.243 4.340 -0.000 0.000 0.203 325 Q C 1.633 177.385 176.000 -0.413 0.000 0.970 325 Q CA 1.351 56.729 55.803 -0.708 0.000 0.865 325 Q CB -0.093 28.371 28.738 -0.456 0.000 0.922 325 Q HN 0.636 nan 8.270 nan 0.000 0.445 326 K N -0.065 120.181 120.400 -0.256 0.000 2.400 326 K HA 0.065 4.385 4.320 -0.000 0.000 0.194 326 K C 0.908 177.424 176.600 -0.140 0.000 1.033 326 K CA 0.268 56.457 56.287 -0.162 0.000 1.021 326 K CB 0.453 32.886 32.500 -0.112 0.000 0.808 326 K HN 0.094 nan 8.250 nan 0.000 0.505 327 G N 1.017 109.718 108.800 -0.164 0.000 2.525 327 G HA2 0.108 4.068 3.960 -0.000 0.000 0.287 327 G HA3 0.108 4.068 3.960 -0.000 0.000 0.287 327 G C -1.194 173.673 174.900 -0.056 0.000 1.350 327 G CA -0.418 44.623 45.100 -0.100 0.000 1.039 327 G HN 0.117 nan 8.290 nan 0.000 0.513 328 E N -0.160 120.053 120.200 0.020 0.000 2.165 328 E HA 0.278 4.628 4.350 -0.000 0.000 0.266 328 E C -0.047 176.708 176.600 0.258 0.000 0.889 328 E CA -0.846 55.628 56.400 0.123 0.000 0.756 328 E CB 0.978 30.759 29.700 0.135 0.000 1.131 328 E HN 0.141 nan 8.360 nan 0.000 0.411 329 I N 4.303 125.004 120.570 0.218 0.000 2.826 329 I HA -0.118 4.052 4.170 -0.000 0.000 0.295 329 I C 0.843 177.177 176.117 0.362 0.000 1.213 329 I CA 0.485 61.932 61.300 0.246 0.000 1.436 329 I CB -0.114 37.946 38.000 0.100 0.000 1.348 329 I HN 0.825 nan 8.210 nan 0.000 0.570 330 M N 10.502 130.358 119.600 0.427 0.000 2.427 330 M HA 0.168 4.648 4.480 -0.000 0.000 0.345 330 M C -2.267 174.139 176.300 0.176 0.000 1.653 330 M CA -0.641 54.813 55.300 0.256 0.000 1.138 330 M CB -0.025 32.729 32.600 0.257 0.000 1.995 330 M HN 0.191 nan 8.290 nan 0.000 0.459 331 P HA 0.072 nan 4.420 nan 0.000 0.264 331 P C -0.765 176.445 177.300 -0.150 0.000 1.193 331 P CA 0.239 63.233 63.100 -0.177 0.000 0.763 331 P CB 0.300 31.666 31.700 -0.556 0.000 0.810 332 N N 3.405 122.107 118.700 0.003 0.000 2.275 332 N HA 0.051 4.790 4.740 -0.000 0.000 0.236 332 N C 0.184 175.757 175.510 0.103 0.000 1.154 332 N CA -0.313 52.750 53.050 0.022 0.000 0.866 332 N CB -0.559 37.961 38.487 0.055 0.000 1.093 332 N HN 0.363 nan 8.380 nan 0.000 0.515 333 I N -2.650 117.888 120.570 -0.053 0.000 2.662 333 I HA 0.376 4.546 4.170 -0.000 0.000 0.291 333 I C -1.326 174.719 176.117 -0.121 0.000 1.046 333 I CA -1.930 59.314 61.300 -0.093 0.000 1.361 333 I CB 0.786 38.575 38.000 -0.351 0.000 1.429 333 I HN -0.292 nan 8.210 nan 0.000 0.558 334 P HA -0.158 nan 4.420 nan 0.000 0.221 334 P C 1.082 178.340 177.300 -0.070 0.000 1.145 334 P CA 1.339 64.414 63.100 -0.042 0.000 0.795 334 P CB 0.151 31.847 31.700 -0.007 0.000 0.775 335 Q N -1.494 118.201 119.800 -0.175 0.000 2.297 335 Q HA -0.003 4.337 4.340 -0.000 0.000 0.204 335 Q C 2.167 178.180 176.000 0.020 0.000 0.962 335 Q CA 0.953 56.676 55.803 -0.134 0.000 0.879 335 Q CB -0.708 27.812 28.738 -0.364 0.000 0.947 335 Q HN 0.095 nan 8.270 nan 0.000 0.462 336 M N 0.085 119.628 119.600 -0.094 0.000 2.143 336 M HA -0.209 4.271 4.480 -0.000 0.000 0.258 336 M C 2.157 178.420 176.300 -0.062 0.000 1.071 336 M CA 1.987 57.201 55.300 -0.142 0.000 1.088 336 M CB -1.326 31.086 32.600 -0.314 0.000 1.360 336 M HN 0.372 nan 8.290 nan 0.000 0.404 337 S N 0.152 115.905 115.700 0.088 0.000 2.382 337 S HA -0.095 4.375 4.470 -0.000 0.000 0.228 337 S C 2.067 176.795 174.600 0.214 0.000 1.027 337 S CA 1.433 59.761 58.200 0.213 0.000 0.991 337 S CB -0.439 62.852 63.200 0.152 0.000 0.823 337 S HN 0.454 nan 8.310 nan 0.000 0.469 338 A N 0.811 123.728 122.820 0.163 0.000 1.930 338 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 338 A C 1.971 179.671 177.584 0.193 0.000 1.175 338 A CA 1.231 53.370 52.037 0.170 0.000 0.627 338 A CB -1.119 17.969 19.000 0.148 0.000 0.815 338 A HN 0.661 nan 8.150 nan 0.000 0.443 339 F N -0.646 119.289 119.950 -0.025 0.000 2.069 339 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 339 F C 2.097 177.843 175.800 -0.089 0.000 1.113 339 F CA 1.993 59.870 58.000 -0.205 0.000 1.214 339 F CB -0.434 38.266 39.000 -0.500 0.000 0.978 339 F HN 0.424 nan 8.300 nan 0.000 0.474 340 W N -1.142 120.218 121.300 0.100 0.000 2.333 340 W HA -0.263 4.397 4.660 -0.000 0.000 0.316 340 W C 2.537 179.042 176.519 -0.023 0.000 1.215 340 W CA 1.232 58.582 57.345 0.008 0.000 1.278 340 W CB -1.082 28.442 29.460 0.106 0.000 1.154 340 W HN 0.197 nan 8.180 nan 0.000 0.486 341 Y N 1.189 121.601 120.300 0.186 0.000 2.128 341 Y HA -0.279 4.271 4.550 -0.000 0.000 0.284 341 Y C 2.320 178.231 175.900 0.019 0.000 1.154 341 Y CA 2.397 60.550 58.100 0.090 0.000 1.149 341 Y CB -0.879 37.629 38.460 0.080 0.000 0.976 341 Y HN -0.087 nan 8.280 nan 0.000 0.505 342 A N -0.642 122.250 122.820 0.121 0.000 1.898 342 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 342 A C 2.277 179.766 177.584 -0.158 0.000 1.181 342 A CA 1.891 53.916 52.037 -0.021 0.000 0.620 342 A CB -1.237 17.794 19.000 0.053 0.000 0.819 342 A HN 0.349 nan 8.150 nan 0.000 0.442 343 V N -0.039 119.720 119.914 -0.257 0.000 2.453 343 V HA -0.201 3.918 4.120 -0.000 0.000 0.247 343 V C 2.572 178.606 176.094 -0.101 0.000 1.048 343 V CA 2.074 64.217 62.300 -0.262 0.000 1.049 343 V CB -0.855 30.591 31.823 -0.628 0.000 0.672 343 V HN 0.668 nan 8.190 nan 0.000 0.457 344 R N 0.379 120.838 120.500 -0.068 0.000 2.080 344 R HA -0.194 4.146 4.340 -0.000 0.000 0.236 344 R C 2.382 178.626 176.300 -0.093 0.000 1.137 344 R CA 2.402 58.482 56.100 -0.033 0.000 0.943 344 R CB -0.686 29.599 30.300 -0.025 0.000 0.846 344 R HN 0.509 nan 8.270 nan 0.000 0.431 345 T N 0.542 114.979 114.554 -0.195 0.000 2.720 345 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 345 T C 1.819 176.455 174.700 -0.106 0.000 1.037 345 T CA 1.449 63.433 62.100 -0.193 0.000 1.144 345 T CB -0.416 68.271 68.868 -0.301 0.000 0.864 345 T HN 0.505 nan 8.240 nan 0.000 0.444 346 A N 0.976 123.744 122.820 -0.087 0.000 1.877 346 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 346 A C 2.616 180.185 177.584 -0.025 0.000 1.186 346 A CA 1.519 53.528 52.037 -0.047 0.000 0.620 346 A CB -1.018 17.961 19.000 -0.036 0.000 0.822 346 A HN 0.360 nan 8.150 nan 0.000 0.443 347 V N 0.223 120.132 119.914 -0.009 0.000 2.295 347 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 347 V C 2.428 178.516 176.094 -0.011 0.000 1.049 347 V CA 2.007 64.313 62.300 0.010 0.000 1.024 347 V CB -0.754 31.101 31.823 0.053 0.000 0.648 347 V HN 0.563 nan 8.190 nan 0.000 0.447 348 I N 0.576 121.132 120.570 -0.022 0.000 2.208 348 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 348 I C 2.323 178.419 176.117 -0.034 0.000 1.097 348 I CA 1.580 62.861 61.300 -0.032 0.000 1.363 348 I CB -0.470 37.505 38.000 -0.042 0.000 1.051 348 I HN 0.349 nan 8.210 nan 0.000 0.413 349 N N 0.783 119.461 118.700 -0.036 0.000 2.216 349 N HA -0.059 4.681 4.740 -0.000 0.000 0.183 349 N C 1.808 177.303 175.510 -0.025 0.000 1.017 349 N CA 1.417 54.448 53.050 -0.031 0.000 0.861 349 N CB -0.248 38.219 38.487 -0.033 0.000 0.986 349 N HN 0.337 nan 8.380 nan 0.000 0.428 350 A N 0.492 123.298 122.820 -0.023 0.000 1.897 350 A HA 0.180 4.500 4.320 -0.000 0.000 0.215 350 A C 2.222 179.790 177.584 -0.026 0.000 1.181 350 A CA 1.546 53.570 52.037 -0.021 0.000 0.620 350 A CB -0.806 18.183 19.000 -0.018 0.000 0.821 350 A HN 0.264 nan 8.150 nan 0.000 0.443 351 A N -0.565 122.238 122.820 -0.029 0.000 2.015 351 A HA 0.001 4.320 4.320 -0.000 0.000 0.219 351 A C 2.218 179.781 177.584 -0.035 0.000 1.163 351 A CA 1.858 53.874 52.037 -0.035 0.000 0.646 351 A CB -0.516 18.461 19.000 -0.039 0.000 0.806 351 A HN 0.423 nan 8.150 nan 0.000 0.448 352 S N -1.822 113.859 115.700 -0.031 0.000 2.528 352 S HA 0.342 4.811 4.470 -0.000 0.000 0.219 352 S C 1.474 176.059 174.600 -0.025 0.000 0.985 352 S CA 0.764 58.947 58.200 -0.029 0.000 0.914 352 S CB 0.141 63.325 63.200 -0.027 0.000 0.776 352 S HN 1.583 nan 8.310 nan 0.000 0.526 353 G N 1.885 110.670 108.800 -0.024 0.000 2.159 353 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.256 353 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.256 353 G C 0.850 175.740 174.900 -0.017 0.000 0.977 353 G CA 0.445 45.532 45.100 -0.021 0.000 0.652 353 G HN 0.473 nan 8.290 nan 0.000 0.531 354 R N -0.416 120.074 120.500 -0.017 0.000 2.148 354 R HA 0.120 4.460 4.340 -0.000 0.000 0.223 354 R C 1.221 177.514 176.300 -0.012 0.000 1.088 354 R CA 1.219 57.310 56.100 -0.014 0.000 0.985 354 R CB 0.069 30.359 30.300 -0.016 0.000 0.880 354 R HN 0.565 nan 8.270 nan 0.000 0.451 355 Q N -0.307 119.485 119.800 -0.013 0.000 2.456 355 Q HA 0.206 4.546 4.340 -0.000 0.000 0.283 355 Q C -0.862 175.132 176.000 -0.010 0.000 1.084 355 Q CA -0.694 55.103 55.803 -0.010 0.000 0.801 355 Q CB 2.498 31.230 28.738 -0.010 0.000 1.434 355 Q HN 0.081 nan 8.270 nan 0.000 0.419 356 T N -2.275 112.275 114.554 -0.006 0.000 2.898 356 T HA 0.124 4.473 4.350 -0.000 0.000 0.301 356 T C 1.391 176.088 174.700 -0.005 0.000 1.049 356 T CA -0.629 61.468 62.100 -0.005 0.000 1.095 356 T CB 0.637 69.504 68.868 -0.001 0.000 0.976 356 T HN 0.343 nan 8.240 nan 0.000 0.539 357 V N 1.793 121.704 119.914 -0.005 0.000 2.250 357 V HA -0.228 3.892 4.120 -0.000 0.000 0.250 357 V C 2.507 178.601 176.094 0.000 0.000 1.060 357 V CA 2.384 64.681 62.300 -0.005 0.000 1.030 357 V CB -0.875 30.945 31.823 -0.004 0.000 0.643 357 V HN 0.899 nan 8.190 nan 0.000 0.445 358 D N 0.243 120.645 120.400 0.003 0.000 2.104 358 D HA -0.157 4.483 4.640 -0.000 0.000 0.194 358 D C 2.381 178.684 176.300 0.006 0.000 0.994 358 D CA 1.901 55.904 54.000 0.006 0.000 0.830 358 D CB -0.345 40.460 40.800 0.008 0.000 0.959 358 D HN 0.651 nan 8.370 nan 0.000 0.452 359 E N 0.517 120.720 120.200 0.004 0.000 2.208 359 E HA 0.126 4.476 4.350 -0.000 0.000 0.193 359 E C 2.026 178.627 176.600 0.002 0.000 0.988 359 E CA 1.219 57.621 56.400 0.004 0.000 0.828 359 E CB -0.669 29.033 29.700 0.003 0.000 0.763 359 E HN 0.335 nan 8.360 nan 0.000 0.478 360 A N 0.219 123.038 122.820 -0.002 0.000 1.897 360 A HA 0.162 4.482 4.320 -0.000 0.000 0.215 360 A C 2.412 179.992 177.584 -0.006 0.000 1.181 360 A CA 1.331 53.364 52.037 -0.007 0.000 0.620 360 A CB -0.185 18.808 19.000 -0.012 0.000 0.821 360 A HN 0.433 nan 8.150 nan 0.000 0.443 361 L N -0.822 120.401 121.223 0.001 0.000 2.270 361 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 361 L C 2.705 179.579 176.870 0.006 0.000 1.104 361 L CA 1.142 55.985 54.840 0.005 0.000 0.804 361 L CB -0.291 41.776 42.059 0.014 0.000 0.937 361 L HN 0.406 nan 8.230 nan 0.000 0.450 362 K N 0.075 120.480 120.400 0.008 0.000 2.002 362 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 362 K C 1.597 178.205 176.600 0.014 0.000 1.048 362 K CA 1.896 58.189 56.287 0.011 0.000 0.930 362 K CB -0.450 32.058 32.500 0.012 0.000 0.714 362 K HN 0.348 nan 8.250 nan 0.000 0.438 363 D N -0.020 120.388 120.400 0.013 0.000 2.149 363 D HA -0.064 4.575 4.640 -0.000 0.000 0.198 363 D C 1.840 178.154 176.300 0.022 0.000 0.990 363 D CA 1.641 55.652 54.000 0.019 0.000 0.839 363 D CB -0.429 40.380 40.800 0.015 0.000 0.948 363 D HN 0.490 nan 8.370 nan 0.000 0.460 364 A N 0.300 123.124 122.820 0.006 0.000 1.897 364 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 364 A C 2.150 179.735 177.584 0.002 0.000 1.181 364 A CA 1.547 53.581 52.037 -0.005 0.000 0.620 364 A CB -0.551 18.421 19.000 -0.046 0.000 0.821 364 A HN 0.152 nan 8.150 nan 0.000 0.443 365 Q N -0.304 119.499 119.800 0.004 0.000 2.030 365 Q HA -0.163 4.176 4.340 -0.000 0.000 0.204 365 Q C 2.138 178.157 176.000 0.031 0.000 0.986 365 Q CA 2.744 58.553 55.803 0.010 0.000 0.843 365 Q CB -0.749 27.994 28.738 0.008 0.000 0.904 365 Q HN 0.586 nan 8.270 nan 0.000 0.420 366 T N -1.192 113.383 114.554 0.035 0.000 2.962 366 T HA -0.103 4.247 4.350 -0.000 0.000 0.270 366 T C 1.776 176.509 174.700 0.056 0.000 1.088 366 T CA 1.218 63.345 62.100 0.045 0.000 1.127 366 T CB -0.175 68.716 68.868 0.039 0.000 0.883 366 T HN 0.316 nan 8.240 nan 0.000 0.493 367 R N -0.175 120.361 120.500 0.061 0.000 2.073 367 R HA 0.095 4.435 4.340 -0.000 0.000 0.229 367 R C 2.249 178.602 176.300 0.088 0.000 1.120 367 R CA 1.188 57.337 56.100 0.082 0.000 0.967 367 R CB -0.153 30.214 30.300 0.111 0.000 0.862 367 R HN 0.362 nan 8.270 nan 0.000 0.436 368 I N 0.605 121.225 120.570 0.082 0.000 2.252 368 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 368 I C 2.093 178.290 176.117 0.132 0.000 1.102 368 I CA 1.814 63.179 61.300 0.110 0.000 1.385 368 I CB -1.559 36.486 38.000 0.075 0.000 1.064 368 I HN 0.300 nan 8.210 nan 0.000 0.414 369 T N -2.636 111.983 114.554 0.108 0.000 3.107 369 T HA 0.028 4.378 4.350 -0.000 0.000 0.249 369 T C 1.116 175.876 174.700 0.101 0.000 1.096 369 T CA -0.063 62.108 62.100 0.119 0.000 1.012 369 T CB -0.108 68.821 68.868 0.102 0.000 0.977 369 T HN 0.070 nan 8.240 nan 0.000 0.527 1002 S N -0.454 115.284 115.700 0.064 0.000 2.840 1002 S HA 0.836 5.306 4.470 -0.000 0.000 0.307 1002 S C 0.128 174.764 174.600 0.060 0.000 1.180 1002 S CA -0.329 57.910 58.200 0.064 0.000 0.846 1002 S CB 1.343 64.595 63.200 0.087 0.000 1.233 1002 S HN 0.945 nan 8.310 nan 0.000 0.548 1003 S N 0.838 116.571 115.700 0.055 0.000 2.548 1003 S HA 0.541 5.011 4.470 -0.000 0.000 0.277 1003 S C -0.978 173.673 174.600 0.085 0.000 1.315 1003 S CA -0.423 57.803 58.200 0.043 0.000 1.050 1003 S CB 0.856 64.069 63.200 0.021 0.000 0.918 1003 S HN 0.513 nan 8.310 nan 0.000 0.497 1004 V N 5.856 125.814 119.914 0.075 0.000 2.488 1004 V HA 0.375 4.495 4.120 -0.000 0.000 0.293 1004 V C -2.117 174.033 176.094 0.093 0.000 1.027 1004 V CA -1.759 60.621 62.300 0.134 0.000 0.862 1004 V CB 1.567 33.450 31.823 0.100 0.000 1.008 1004 V HN 0.658 nan 8.190 nan 0.000 0.428 1005 P HA 0.254 nan 4.420 nan 0.000 0.277 1005 P C -0.202 177.168 177.300 0.116 0.000 1.276 1005 P CA 0.072 63.282 63.100 0.183 0.000 0.788 1005 P CB 1.127 32.907 31.700 0.134 0.000 1.114 1006 T N 0.007 114.650 114.554 0.148 0.000 2.938 1006 T HA 0.262 4.612 4.350 -0.000 0.000 0.285 1006 T C 0.086 174.853 174.700 0.111 0.000 1.028 1006 T CA -0.326 61.834 62.100 0.099 0.000 1.005 1006 T CB -0.271 68.644 68.868 0.078 0.000 1.157 1006 T HN 0.786 nan 8.240 nan 0.000 0.550 1007 N N 2.225 120.970 118.700 0.076 0.000 2.678 1007 N HA -0.199 4.541 4.740 -0.000 0.000 0.268 1007 N C -0.691 174.881 175.510 0.103 0.000 1.010 1007 N CA 0.198 53.291 53.050 0.071 0.000 0.784 1007 N CB -1.757 36.761 38.487 0.051 0.000 0.905 1007 N HN 0.481 nan 8.380 nan 0.000 0.552 1008 L N 0.834 122.119 121.223 0.104 0.000 2.455 1008 L HA 0.294 4.634 4.340 -0.000 0.000 0.272 1008 L C 0.630 177.548 176.870 0.080 0.000 1.174 1008 L CA 0.247 55.164 54.840 0.129 0.000 0.869 1008 L CB 0.349 42.447 42.059 0.065 0.000 1.130 1008 L HN 0.550 nan 8.230 nan 0.000 0.474 1009 E N 3.219 123.463 120.200 0.074 0.000 2.390 1009 E HA 0.432 4.782 4.350 -0.000 0.000 0.280 1009 E C -1.673 174.902 176.600 -0.042 0.000 0.992 1009 E CA -1.092 55.317 56.400 0.015 0.000 0.790 1009 E CB 1.284 30.990 29.700 0.011 0.000 1.248 1009 E HN 0.278 nan 8.360 nan 0.000 0.447 1010 V N 2.516 122.353 119.914 -0.129 0.000 2.530 1010 V HA 0.071 4.191 4.120 -0.000 0.000 0.282 1010 V C 1.127 177.115 176.094 -0.177 0.000 1.048 1010 V CA 0.205 62.347 62.300 -0.263 0.000 0.997 1010 V CB 1.078 32.494 31.823 -0.677 0.000 0.987 1010 V HN 0.714 nan 8.190 nan 0.000 0.477 1011 V N 2.235 122.053 119.914 -0.160 0.000 3.431 1011 V HA 0.779 4.899 4.120 -0.000 0.000 0.253 1011 V C 0.536 176.549 176.094 -0.135 0.000 1.184 1011 V CA 0.892 63.117 62.300 -0.126 0.000 1.104 1011 V CB 0.304 32.055 31.823 -0.120 0.000 0.799 1011 V HN 1.136 nan 8.190 nan 0.000 0.462 1012 A N -0.469 122.259 122.820 -0.152 0.000 2.590 1012 A HA 0.899 5.219 4.320 -0.000 0.000 0.296 1012 A C -0.826 176.681 177.584 -0.129 0.000 1.050 1012 A CA -0.010 51.951 52.037 -0.126 0.000 0.697 1012 A CB 0.840 19.761 19.000 -0.132 0.000 1.277 1012 A HN 1.851 nan 8.150 nan 0.000 0.411 1013 A N 0.967 123.742 122.820 -0.075 0.000 2.480 1013 A HA 0.804 5.124 4.320 -0.000 0.000 0.289 1013 A C -0.097 177.480 177.584 -0.012 0.000 1.044 1013 A CA 0.294 52.303 52.037 -0.046 0.000 0.761 1013 A CB 0.630 19.637 19.000 0.011 0.000 1.289 1013 A HN 2.347 nan 8.150 nan 0.000 0.401 1014 T N 0.331 114.867 114.554 -0.031 0.000 2.816 1014 T HA 0.562 4.912 4.350 -0.000 0.000 0.282 1014 T C -1.484 173.217 174.700 0.002 0.000 0.993 1014 T CA -1.134 60.955 62.100 -0.019 0.000 0.994 1014 T CB 0.843 69.689 68.868 -0.036 0.000 1.025 1014 T HN 0.342 nan 8.240 nan 0.000 0.529 1015 P HA 0.072 nan 4.420 nan 0.000 0.242 1015 P C 0.948 178.256 177.300 0.014 0.000 1.197 1015 P CA 0.592 63.707 63.100 0.025 0.000 0.765 1015 P CB -0.246 31.467 31.700 0.021 0.000 0.936 1016 T N -4.756 109.789 114.554 -0.016 0.000 3.004 1016 T HA 0.211 4.561 4.350 -0.000 0.000 0.266 1016 T C 0.606 175.252 174.700 -0.091 0.000 0.986 1016 T CA -0.079 61.999 62.100 -0.037 0.000 0.902 1016 T CB -0.213 68.639 68.868 -0.027 0.000 1.118 1016 T HN 0.180 nan 8.240 nan 0.000 0.522 1017 S N 0.711 116.354 115.700 -0.095 0.000 2.564 1017 S HA 0.793 5.263 4.470 -0.000 0.000 0.274 1017 S C -1.368 173.147 174.600 -0.140 0.000 1.124 1017 S CA -1.019 57.097 58.200 -0.140 0.000 0.869 1017 S CB 1.769 64.895 63.200 -0.124 0.000 1.105 1017 S HN 0.291 nan 8.310 nan 0.000 0.472 1018 L N 1.747 122.857 121.223 -0.188 0.000 2.362 1018 L HA 0.613 4.953 4.340 -0.000 0.000 0.271 1018 L C -0.947 175.821 176.870 -0.169 0.000 1.002 1018 L CA -0.839 53.883 54.840 -0.197 0.000 0.818 1018 L CB 1.917 43.833 42.059 -0.239 0.000 1.298 1018 L HN 0.647 nan 8.230 nan 0.000 0.420 1019 L N 4.717 125.842 121.223 -0.163 0.000 2.287 1019 L HA 0.628 4.968 4.340 -0.000 0.000 0.287 1019 L C -0.609 176.189 176.870 -0.122 0.000 1.022 1019 L CA -0.554 54.208 54.840 -0.130 0.000 0.814 1019 L CB 1.319 43.298 42.059 -0.132 0.000 1.217 1019 L HN 0.575 nan 8.230 nan 0.000 0.420 1020 I N 1.833 122.374 120.570 -0.050 0.000 2.740 1020 I HA 0.785 4.955 4.170 -0.000 0.000 0.303 1020 I C -0.403 175.704 176.117 -0.016 0.000 1.044 1020 I CA -0.374 60.934 61.300 0.013 0.000 1.064 1020 I CB 2.273 40.352 38.000 0.132 0.000 1.249 1020 I HN 0.555 nan 8.210 nan 0.000 0.433 1021 S N 2.956 118.643 115.700 -0.022 0.000 2.618 1021 S HA 0.870 5.339 4.470 -0.000 0.000 0.277 1021 S C -1.464 173.149 174.600 0.021 0.000 1.138 1021 S CA -0.634 57.418 58.200 -0.248 0.000 0.844 1021 S CB 1.514 64.565 63.200 -0.247 0.000 1.127 1021 S HN 1.048 nan 8.310 nan 0.000 0.474 1022 W N -0.098 121.148 121.300 -0.090 0.000 3.025 1022 W HA 0.694 5.354 4.660 -0.000 0.000 0.343 1022 W C -1.308 175.178 176.519 -0.056 0.000 1.246 1022 W CA -0.795 56.496 57.345 -0.091 0.000 1.178 1022 W CB -0.102 29.263 29.460 -0.158 0.000 1.463 1022 W HN 0.702 nan 8.180 nan 0.000 0.578 1023 D N 0.592 121.115 120.400 0.204 0.000 2.424 1023 D HA 0.379 5.019 4.640 -0.000 0.000 0.244 1023 D C 0.593 177.007 176.300 0.191 0.000 1.134 1023 D CA 0.437 54.515 54.000 0.130 0.000 0.881 1023 D CB 1.580 42.437 40.800 0.095 0.000 1.191 1023 D HN 0.679 nan 8.370 nan 0.000 0.445 1024 A N 2.793 125.672 122.820 0.098 0.000 2.507 1024 A HA 0.147 4.467 4.320 -0.000 0.000 0.270 1024 A C 1.835 179.460 177.584 0.068 0.000 1.318 1024 A CA -0.257 51.867 52.037 0.144 0.000 0.924 1024 A CB -0.117 18.933 19.000 0.082 0.000 1.061 1024 A HN 0.508 nan 8.150 nan 0.000 0.516 1025 S N -0.714 114.951 115.700 -0.058 0.000 2.383 1025 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 1025 S C 0.926 175.362 174.600 -0.272 0.000 1.030 1025 S CA 1.400 59.434 58.200 -0.277 0.000 1.002 1025 S CB -0.435 62.428 63.200 -0.563 0.000 0.829 1025 S HN 0.792 nan 8.310 nan 0.000 0.467 1026 Y N 1.303 121.652 120.300 0.083 0.000 2.571 1026 Y HA 0.164 4.714 4.550 -0.000 0.000 0.275 1026 Y C 2.255 178.206 175.900 0.085 0.000 1.179 1026 Y CA -0.111 58.013 58.100 0.039 0.000 1.242 1026 Y CB -0.115 38.314 38.460 -0.052 0.000 1.126 1026 Y HN 0.317 nan 8.280 nan 0.000 0.524 1027 S N -0.460 115.382 115.700 0.237 0.000 2.400 1027 S HA -0.252 4.218 4.470 -0.000 0.000 0.232 1027 S C 2.154 176.864 174.600 0.183 0.000 1.025 1027 S CA 1.713 60.049 58.200 0.226 0.000 0.993 1027 S CB -0.677 62.651 63.200 0.214 0.000 0.808 1027 S HN 0.509 nan 8.310 nan 0.000 0.478 1028 S N 1.161 116.960 115.700 0.164 0.000 2.402 1028 S HA 0.016 4.486 4.470 -0.000 0.000 0.229 1028 S C 1.892 176.624 174.600 0.220 0.000 1.021 1028 S CA 1.116 59.411 58.200 0.158 0.000 0.974 1028 S CB -0.788 62.475 63.200 0.105 0.000 0.800 1028 S HN 0.525 nan 8.310 nan 0.000 0.484 1029 S N 0.523 116.359 115.700 0.226 0.000 2.528 1029 S HA 0.283 4.753 4.470 -0.000 0.000 0.219 1029 S C 0.349 175.118 174.600 0.281 0.000 0.985 1029 S CA -0.115 58.245 58.200 0.266 0.000 0.914 1029 S CB 0.105 63.390 63.200 0.142 0.000 0.776 1029 S HN 0.350 nan 8.310 nan 0.000 0.526 1030 V N 2.012 122.010 119.914 0.140 0.000 2.370 1030 V HA 0.281 4.401 4.120 -0.000 0.000 0.279 1030 V C 1.154 177.031 176.094 -0.361 0.000 1.029 1030 V CA -0.223 61.995 62.300 -0.136 0.000 0.870 1030 V CB 1.505 33.154 31.823 -0.290 0.000 0.984 1030 V HN 0.305 nan 8.190 nan 0.000 0.451 1031 S N 4.697 119.913 115.700 -0.807 0.000 2.371 1031 S HA 0.048 4.518 4.470 -0.000 0.000 0.224 1031 S C 0.229 174.653 174.600 -0.294 0.000 1.029 1031 S CA 1.244 58.839 58.200 -1.007 0.000 0.978 1031 S CB 0.051 62.500 63.200 -1.252 0.000 0.833 1031 S HN 0.887 nan 8.310 nan 0.000 0.466 1032 Y N -2.249 117.813 120.300 -0.397 0.000 2.662 1032 Y HA 0.616 5.166 4.550 -0.000 0.000 0.334 1032 Y C -1.961 173.790 175.900 -0.248 0.000 1.185 1032 Y CA -2.019 55.938 58.100 -0.240 0.000 1.074 1032 Y CB 0.195 38.567 38.460 -0.146 0.000 1.330 1032 Y HN -0.056 nan 8.280 nan 0.000 0.458 1033 Y N 1.764 122.177 120.300 0.188 0.000 2.342 1033 Y HA 0.611 5.161 4.550 -0.000 0.000 0.334 1033 Y C 0.198 176.195 175.900 0.163 0.000 1.067 1033 Y CA -0.780 57.357 58.100 0.061 0.000 1.128 1033 Y CB 1.719 40.130 38.460 -0.082 0.000 1.200 1033 Y HN 0.637 nan 8.280 nan 0.000 0.464 1034 R N 3.672 124.351 120.500 0.299 0.000 2.295 1034 R HA 0.625 4.965 4.340 -0.000 0.000 0.324 1034 R C -1.820 174.511 176.300 0.051 0.000 0.968 1034 R CA -0.612 55.605 56.100 0.195 0.000 0.837 1034 R CB 0.375 30.835 30.300 0.268 0.000 1.133 1034 R HN 0.700 nan 8.270 nan 0.000 0.450 1035 I N 3.481 123.898 120.570 -0.255 0.000 2.404 1035 I HA 0.293 4.463 4.170 -0.000 0.000 0.293 1035 I C 0.167 176.147 176.117 -0.229 0.000 0.992 1035 I CA -0.311 60.772 61.300 -0.362 0.000 1.149 1035 I CB 2.135 39.689 38.000 -0.743 0.000 1.315 1035 I HN 0.627 nan 8.210 nan 0.000 0.446 1036 T N 2.776 117.335 114.554 0.009 0.000 2.887 1036 T HA 0.829 5.179 4.350 -0.000 0.000 0.288 1036 T C -0.949 173.885 174.700 0.223 0.000 1.021 1036 T CA -0.724 61.425 62.100 0.082 0.000 1.000 1036 T CB 1.597 70.524 68.868 0.098 0.000 1.034 1036 T HN 0.502 nan 8.240 nan 0.000 0.467 1037 Y N -0.959 119.405 120.300 0.107 0.000 2.544 1037 Y HA 0.861 5.411 4.550 -0.000 0.000 0.342 1037 Y C -0.467 175.561 175.900 0.214 0.000 1.062 1037 Y CA -1.241 56.959 58.100 0.166 0.000 1.023 1037 Y CB 1.333 39.898 38.460 0.174 0.000 1.308 1037 Y HN 1.153 nan 8.280 nan 0.000 0.457 1038 G N 1.222 110.228 108.800 0.344 0.000 2.632 1038 G HA2 0.408 4.368 3.960 -0.000 0.000 0.292 1038 G HA3 0.408 4.368 3.960 -0.000 0.000 0.292 1038 G C -1.933 173.037 174.900 0.116 0.000 1.465 1038 G CA -1.257 43.972 45.100 0.216 0.000 0.824 1038 G HN 0.720 nan 8.290 nan 0.000 0.509 1039 E N 1.068 121.186 120.200 -0.137 0.000 2.415 1039 E HA 0.228 4.578 4.350 -0.000 0.000 0.260 1039 E C 0.355 176.857 176.600 -0.163 0.000 1.016 1039 E CA 0.342 56.509 56.400 -0.388 0.000 0.924 1039 E CB 0.471 29.963 29.700 -0.348 0.000 0.961 1039 E HN 0.341 nan 8.360 nan 0.000 0.459 1040 T N 2.437 116.906 114.554 -0.142 0.000 2.946 1040 T HA 0.139 4.489 4.350 -0.000 0.000 0.311 1040 T C 1.448 176.116 174.700 -0.054 0.000 1.063 1040 T CA 0.697 62.764 62.100 -0.054 0.000 1.139 1040 T CB 0.696 69.547 68.868 -0.029 0.000 0.994 1040 T HN 0.837 nan 8.240 nan 0.000 0.547 1041 G N 2.126 110.909 108.800 -0.028 0.000 2.302 1041 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.263 1041 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.263 1041 G C 0.634 175.519 174.900 -0.026 0.000 0.995 1041 G CA 0.329 45.414 45.100 -0.024 0.000 0.622 1041 G HN 1.163 nan 8.290 nan 0.000 0.538 1042 G N -0.943 107.834 108.800 -0.039 0.000 2.653 1042 G HA2 0.437 4.397 3.960 -0.000 0.000 0.265 1042 G HA3 0.437 4.397 3.960 -0.000 0.000 0.265 1042 G C 0.523 175.411 174.900 -0.021 0.000 1.237 1042 G CA 0.384 45.463 45.100 -0.035 0.000 0.946 1042 G HN 0.436 nan 8.290 nan 0.000 0.522 1043 N N -1.343 117.347 118.700 -0.017 0.000 2.184 1043 N HA 0.068 4.808 4.740 -0.000 0.000 0.234 1043 N C 0.174 175.679 175.510 -0.008 0.000 1.282 1043 N CA -0.217 52.828 53.050 -0.009 0.000 0.877 1043 N CB 0.456 38.939 38.487 -0.007 0.000 1.184 1043 N HN 0.335 nan 8.380 nan 0.000 0.510 1044 S N 1.984 117.678 115.700 -0.011 0.000 2.579 1044 S HA 0.226 4.696 4.470 -0.000 0.000 0.275 1044 S C -2.341 172.252 174.600 -0.011 0.000 1.345 1044 S CA -0.515 57.679 58.200 -0.009 0.000 1.031 1044 S CB 0.789 63.986 63.200 -0.006 0.000 0.892 1044 S HN 0.192 nan 8.310 nan 0.000 0.529 1045 P HA 0.174 nan 4.420 nan 0.000 0.271 1045 P C -0.402 176.874 177.300 -0.039 0.000 1.220 1045 P CA -0.576 62.512 63.100 -0.020 0.000 0.768 1045 P CB 0.108 31.797 31.700 -0.018 0.000 0.848 1046 V N 1.157 121.044 119.914 -0.045 0.000 2.901 1046 V HA 0.026 4.146 4.120 -0.000 0.000 0.307 1046 V C 0.412 176.408 176.094 -0.164 0.000 1.084 1046 V CA -0.373 61.873 62.300 -0.089 0.000 1.184 1046 V CB -0.178 31.613 31.823 -0.052 0.000 0.941 1046 V HN 0.403 nan 8.190 nan 0.000 0.493 1047 Q N 2.353 121.936 119.800 -0.360 0.000 2.299 1047 Q HA 0.476 4.816 4.340 -0.000 0.000 0.246 1047 Q C -0.287 175.499 176.000 -0.357 0.000 0.935 1047 Q CA -0.023 55.504 55.803 -0.461 0.000 0.887 1047 Q CB 1.905 30.104 28.738 -0.898 0.000 1.223 1047 Q HN 0.996 nan 8.270 nan 0.000 0.439 1048 E N 1.991 122.148 120.200 -0.071 0.000 2.308 1048 E HA 0.522 4.872 4.350 -0.000 0.000 0.275 1048 E C -1.621 175.111 176.600 0.219 0.000 0.890 1048 E CA -0.478 55.939 56.400 0.029 0.000 0.754 1048 E CB 1.237 30.919 29.700 -0.030 0.000 1.207 1048 E HN 0.435 nan 8.360 nan 0.000 0.426 1049 F N -0.162 119.860 119.950 0.121 0.000 2.664 1049 F HA 0.729 5.256 4.527 -0.000 0.000 0.317 1049 F C -0.842 175.023 175.800 0.108 0.000 1.108 1049 F CA -0.812 57.247 58.000 0.099 0.000 0.957 1049 F CB 1.490 40.566 39.000 0.127 0.000 1.365 1049 F HN 0.280 nan 8.300 nan 0.000 0.475 1050 T N -0.585 114.095 114.554 0.210 0.000 2.924 1050 T HA 0.816 5.166 4.350 -0.000 0.000 0.291 1050 T C -1.529 173.365 174.700 0.322 0.000 1.045 1050 T CA -0.834 61.357 62.100 0.151 0.000 1.015 1050 T CB 1.730 70.601 68.868 0.004 0.000 1.103 1050 T HN 0.778 nan 8.240 nan 0.000 0.496 1051 V N 2.864 122.992 119.914 0.356 0.000 2.789 1051 V HA 0.536 4.656 4.120 -0.000 0.000 0.311 1051 V C -2.423 173.906 176.094 0.392 0.000 1.073 1051 V CA -2.373 60.170 62.300 0.405 0.000 0.921 1051 V CB 2.296 34.443 31.823 0.539 0.000 1.009 1051 V HN 0.838 nan 8.190 nan 0.000 0.426 1052 P HA 0.080 nan 4.420 nan 0.000 0.267 1052 P C 0.876 178.363 177.300 0.312 0.000 1.201 1052 P CA 0.322 63.568 63.100 0.242 0.000 0.775 1052 P CB 0.611 32.416 31.700 0.175 0.000 0.854 1053 G N 0.894 109.802 108.800 0.181 0.000 2.559 1053 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 1053 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 1053 G C 1.381 176.449 174.900 0.280 0.000 1.126 1053 G CA 0.748 45.915 45.100 0.112 0.000 0.778 1053 G HN 0.574 nan 8.290 nan 0.000 0.543 1054 S N -0.153 115.692 115.700 0.241 0.000 2.436 1054 S HA 0.141 4.611 4.470 -0.000 0.000 0.228 1054 S C 1.196 175.932 174.600 0.228 0.000 1.014 1054 S CA 0.221 58.545 58.200 0.207 0.000 0.950 1054 S CB 0.113 63.397 63.200 0.139 0.000 0.784 1054 S HN 0.141 nan 8.310 nan 0.000 0.504 1055 K N 1.967 122.538 120.400 0.286 0.000 2.219 1055 K HA 0.247 4.567 4.320 -0.000 0.000 0.258 1055 K C 0.606 177.280 176.600 0.124 0.000 1.008 1055 K CA 0.626 57.034 56.287 0.202 0.000 0.928 1055 K CB 1.105 33.755 32.500 0.250 0.000 0.983 1055 K HN 0.470 nan 8.250 nan 0.000 0.484 1056 S N -1.800 113.709 115.700 -0.317 0.000 2.998 1056 S HA 0.044 4.514 4.470 -0.000 0.000 0.256 1056 S C 0.018 173.671 174.600 -1.578 0.000 0.970 1056 S CA -0.448 57.098 58.200 -1.090 0.000 1.238 1056 S CB 0.085 62.924 63.200 -0.601 0.000 1.170 1056 S HN 0.662 nan 8.310 nan 0.000 0.663 1057 T N -0.907 113.078 114.554 -0.948 0.000 2.883 1057 T HA 0.912 5.262 4.350 -0.000 0.000 0.296 1057 T C -0.735 173.838 174.700 -0.212 0.000 1.117 1057 T CA -0.454 61.252 62.100 -0.657 0.000 1.006 1057 T CB 1.646 70.314 68.868 -0.332 0.000 1.191 1057 T HN 1.162 nan 8.240 nan 0.000 0.508 1058 A N 0.955 123.782 122.820 0.011 0.000 2.589 1058 A HA 0.734 5.053 4.320 -0.000 0.000 0.296 1058 A C -0.473 177.154 177.584 0.072 0.000 1.062 1058 A CA -0.968 51.196 52.037 0.212 0.000 0.686 1058 A CB 1.356 20.726 19.000 0.616 0.000 1.282 1058 A HN 0.948 nan 8.150 nan 0.000 0.404 1059 T N 1.841 116.371 114.554 -0.039 0.000 2.795 1059 T HA 0.624 4.973 4.350 -0.000 0.000 0.282 1059 T C -0.292 174.257 174.700 -0.252 0.000 0.980 1059 T CA 0.022 62.038 62.100 -0.140 0.000 1.012 1059 T CB 0.512 69.283 68.868 -0.162 0.000 0.936 1059 T HN 0.425 nan 8.240 nan 0.000 0.457 1060 I N 3.316 123.737 120.570 -0.249 0.000 2.382 1060 I HA 0.381 4.550 4.170 -0.000 0.000 0.286 1060 I C 0.337 176.245 176.117 -0.348 0.000 1.002 1060 I CA -0.509 60.549 61.300 -0.403 0.000 1.135 1060 I CB 1.379 39.053 38.000 -0.543 0.000 1.288 1060 I HN 0.686 nan 8.210 nan 0.000 0.448 1061 S N 3.010 118.535 115.700 -0.292 0.000 2.715 1061 S HA 0.827 5.297 4.470 -0.000 0.000 0.307 1061 S C 0.662 175.194 174.600 -0.113 0.000 1.119 1061 S CA -0.263 57.827 58.200 -0.184 0.000 0.937 1061 S CB 1.764 64.882 63.200 -0.136 0.000 1.150 1061 S HN 1.080 nan 8.310 nan 0.000 0.521 1062 G N -0.197 108.565 108.800 -0.063 0.000 2.147 1062 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.244 1062 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.244 1062 G C -0.150 174.765 174.900 0.025 0.000 1.005 1062 G CA 0.316 45.416 45.100 -0.000 0.000 0.713 1062 G HN 0.624 nan 8.290 nan 0.000 0.515 1063 L N -0.946 120.249 121.223 -0.047 0.000 2.479 1063 L HA 0.513 4.853 4.340 -0.000 0.000 0.249 1063 L C 0.996 177.918 176.870 0.087 0.000 1.178 1063 L CA -0.614 54.193 54.840 -0.056 0.000 0.811 1063 L CB 0.462 42.298 42.059 -0.372 0.000 1.187 1063 L HN 0.032 nan 8.230 nan 0.000 0.480 1064 K N 0.949 121.501 120.400 0.253 0.000 2.156 1064 K HA 0.364 4.684 4.320 -0.000 0.000 0.271 1064 K C -2.436 174.285 176.600 0.201 0.000 0.995 1064 K CA -1.702 54.717 56.287 0.220 0.000 0.890 1064 K CB 0.979 33.618 32.500 0.233 0.000 1.073 1064 K HN 0.209 nan 8.250 nan 0.000 0.454 1065 P HA 0.035 nan 4.420 nan 0.000 0.275 1065 P C 0.121 177.472 177.300 0.084 0.000 1.227 1065 P CA 0.111 63.264 63.100 0.088 0.000 0.781 1065 P CB 0.712 32.443 31.700 0.051 0.000 0.906 1066 G N 1.078 109.921 108.800 0.071 0.000 2.314 1066 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.292 1066 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.292 1066 G C -0.281 174.647 174.900 0.046 0.000 1.059 1066 G CA -0.114 45.010 45.100 0.041 0.000 0.982 1066 G HN 0.500 nan 8.290 nan 0.000 0.505 1067 V N -0.371 119.601 119.914 0.097 0.000 2.760 1067 V HA 0.407 4.527 4.120 -0.000 0.000 0.309 1067 V C -0.239 175.893 176.094 0.063 0.000 1.077 1067 V CA -1.158 61.169 62.300 0.045 0.000 0.910 1067 V CB 2.122 33.958 31.823 0.021 0.000 1.008 1067 V HN 0.272 nan 8.190 nan 0.000 0.424 1068 D N 2.662 123.033 120.400 -0.047 0.000 2.390 1068 D HA 0.410 5.050 4.640 -0.000 0.000 0.249 1068 D C -1.063 175.173 176.300 -0.106 0.000 1.144 1068 D CA 0.793 54.787 54.000 -0.010 0.000 0.880 1068 D CB 0.438 41.219 40.800 -0.031 0.000 1.182 1068 D HN 0.414 nan 8.370 nan 0.000 0.451 1069 Y N 0.459 120.823 120.300 0.106 0.000 2.409 1069 Y HA 0.347 4.897 4.550 -0.000 0.000 0.343 1069 Y C 0.326 176.303 175.900 0.129 0.000 0.973 1069 Y CA -0.845 57.336 58.100 0.135 0.000 1.064 1069 Y CB 2.033 40.599 38.460 0.176 0.000 1.207 1069 Y HN 0.121 nan 8.280 nan 0.000 0.452 1070 T N 5.216 119.917 114.554 0.245 0.000 2.733 1070 T HA 0.506 4.856 4.350 -0.000 0.000 0.294 1070 T C -0.499 174.324 174.700 0.205 0.000 0.956 1070 T CA -0.325 61.879 62.100 0.174 0.000 0.987 1070 T CB -0.164 68.762 68.868 0.096 0.000 0.920 1070 T HN 0.264 nan 8.240 nan 0.000 0.470 1071 I N 3.566 124.232 120.570 0.160 0.000 2.339 1071 I HA 0.334 4.504 4.170 -0.000 0.000 0.290 1071 I C 0.430 176.561 176.117 0.024 0.000 0.994 1071 I CA -0.234 61.143 61.300 0.129 0.000 1.191 1071 I CB 1.617 39.680 38.000 0.105 0.000 1.343 1071 I HN 0.518 nan 8.210 nan 0.000 0.458 1072 T N 5.393 119.938 114.554 -0.016 0.000 2.829 1072 T HA 0.655 5.005 4.350 -0.000 0.000 0.280 1072 T C -0.384 174.178 174.700 -0.229 0.000 0.999 1072 T CA -0.636 61.364 62.100 -0.168 0.000 0.983 1072 T CB 1.820 70.553 68.868 -0.226 0.000 0.968 1072 T HN 0.155 nan 8.240 nan 0.000 0.446 1073 V N 3.340 123.036 119.914 -0.363 0.000 2.448 1073 V HA 0.465 4.585 4.120 -0.000 0.000 0.295 1073 V C -1.261 174.586 176.094 -0.410 0.000 1.025 1073 V CA -0.994 61.072 62.300 -0.390 0.000 0.859 1073 V CB 0.856 32.286 31.823 -0.654 0.000 0.988 1073 V HN 0.805 nan 8.190 nan 0.000 0.431 1074 Y N 2.185 122.357 120.300 -0.212 0.000 2.341 1074 Y HA 0.709 5.259 4.550 -0.000 0.000 0.337 1074 Y C 0.490 176.329 175.900 -0.101 0.000 1.014 1074 Y CA -0.725 57.228 58.100 -0.245 0.000 1.111 1074 Y CB 1.857 40.118 38.460 -0.332 0.000 1.194 1074 Y HN 0.697 nan 8.280 nan 0.000 0.462 1075 A N 3.902 126.738 122.820 0.027 0.000 2.253 1075 A HA 0.520 4.840 4.320 -0.000 0.000 0.316 1075 A C -1.509 175.917 177.584 -0.263 0.000 1.327 1075 A CA -0.512 51.507 52.037 -0.029 0.000 0.917 1075 A CB -0.427 18.675 19.000 0.170 0.000 1.162 1075 A HN 0.708 nan 8.150 nan 0.000 0.535 1076 Y N 2.147 122.121 120.300 -0.543 0.000 2.316 1076 Y HA 0.316 4.866 4.550 -0.000 0.000 0.331 1076 Y C 1.517 176.937 175.900 -0.800 0.000 1.083 1076 Y CA 0.589 58.234 58.100 -0.759 0.000 1.206 1076 Y CB 1.248 38.968 38.460 -1.233 0.000 1.195 1076 Y HN 0.835 nan 8.280 nan 0.000 0.497 1077 S N 1.703 116.861 115.700 -0.903 0.000 2.633 1077 S HA 0.022 4.492 4.470 -0.000 0.000 0.257 1077 S C 0.358 174.513 174.600 -0.742 0.000 1.265 1077 S CA -0.276 57.420 58.200 -0.840 0.000 0.980 1077 S CB 0.193 62.580 63.200 -1.355 0.000 1.017 1077 S HN 0.640 nan 8.310 nan 0.000 0.577 1078 Y N -0.864 119.025 120.300 -0.684 0.000 2.490 1078 Y HA 0.238 4.788 4.550 -0.000 0.000 0.281 1078 Y C 0.383 175.590 175.900 -1.154 0.000 1.174 1078 Y CA 0.135 57.725 58.100 -0.850 0.000 1.295 1078 Y CB -0.258 37.678 38.460 -0.874 0.000 1.062 1078 Y HN 0.626 nan 8.280 nan 0.000 0.522 1079 Y N -2.311 117.759 120.300 -0.384 0.000 2.720 1079 Y HA 0.192 4.741 4.550 -0.000 0.000 0.277 1079 Y C -0.435 175.450 175.900 -0.024 0.000 1.144 1079 Y CA -1.007 56.959 58.100 -0.224 0.000 1.221 1079 Y CB -0.533 37.989 38.460 0.103 0.000 1.163 1079 Y HN 0.128 nan 8.280 nan 0.000 0.537 1080 Y N -2.772 117.526 120.300 -0.004 0.000 4.729 1080 Y HA -0.347 4.203 4.550 0.000 0.000 0.239 1080 Y C -0.350 175.651 175.900 0.169 0.000 1.043 1080 Y CA 0.166 58.322 58.100 0.095 0.000 2.045 1080 Y CB -3.122 35.412 38.460 0.123 0.000 1.599 1080 Y HN 0.361 nan 8.280 nan 0.000 0.655 1081 Y N -1.528 118.823 120.300 0.084 0.000 2.576 1081 Y HA 0.750 5.300 4.550 -0.000 0.000 0.346 1081 Y C -0.193 175.413 175.900 -0.489 0.000 1.018 1081 Y CA -2.820 55.175 58.100 -0.175 0.000 1.050 1081 Y CB 0.730 39.042 38.460 -0.247 0.000 1.280 1081 Y HN 0.065 nan 8.280 nan 0.000 0.474 1082 Y N -0.301 119.670 120.300 -0.548 0.000 2.352 1082 Y HA 0.602 5.152 4.550 -0.000 0.000 0.326 1082 Y C -0.964 174.765 175.900 -0.286 0.000 1.166 1082 Y CA -2.044 55.568 58.100 -0.813 0.000 1.182 1082 Y CB 0.483 38.361 38.460 -0.970 0.000 1.216 1082 Y HN 0.660 nan 8.280 nan 0.000 0.474 1083 Y N 1.274 121.607 120.300 0.055 0.000 2.497 1083 Y HA 0.059 4.609 4.550 -0.000 0.000 0.334 1083 Y C 1.040 177.029 175.900 0.148 0.000 1.199 1083 Y CA 0.060 58.215 58.100 0.091 0.000 1.425 1083 Y CB 0.572 39.006 38.460 -0.044 0.000 1.291 1083 Y HN 0.703 nan 8.280 nan 0.000 0.562 1084 S N 2.670 118.527 115.700 0.261 0.000 2.596 1084 S HA 0.017 4.487 4.470 -0.000 0.000 0.298 1084 S C -0.096 174.589 174.600 0.142 0.000 1.255 1084 S CA 0.215 58.523 58.200 0.180 0.000 1.083 1084 S CB -0.254 63.007 63.200 0.102 0.000 0.837 1084 S HN 0.756 nan 8.310 nan 0.000 0.499 1085 S N 2.984 118.763 115.700 0.133 0.000 3.837 1085 S HA -0.078 4.392 4.470 -0.000 0.000 0.627 1085 S C -2.176 172.406 174.600 -0.029 0.000 0.633 1085 S CA -0.543 57.683 58.200 0.044 0.000 1.421 1085 S CB -1.152 62.069 63.200 0.034 0.000 0.844 1085 S HN 0.609 nan 8.310 nan 0.000 0.880 1086 P HA 0.361 nan 4.420 nan 0.000 0.271 1086 P C 0.117 177.244 177.300 -0.287 0.000 1.233 1086 P CA -0.306 62.573 63.100 -0.369 0.000 0.789 1086 P CB 0.662 31.805 31.700 -0.928 0.000 0.951 1087 I N 0.630 121.027 120.570 -0.289 0.000 2.404 1087 I HA 0.317 4.487 4.170 -0.000 0.000 0.293 1087 I C -0.302 175.698 176.117 -0.196 0.000 0.992 1087 I CA -0.370 60.821 61.300 -0.182 0.000 1.149 1087 I CB 1.412 39.347 38.000 -0.109 0.000 1.315 1087 I HN 0.427 nan 8.210 nan 0.000 0.446 1088 S N 7.594 123.218 115.700 -0.126 0.000 2.568 1088 S HA 0.831 5.301 4.470 -0.000 0.000 0.293 1088 S C -0.633 173.953 174.600 -0.023 0.000 1.089 1088 S CA -0.746 57.404 58.200 -0.084 0.000 0.945 1088 S CB 1.992 65.142 63.200 -0.083 0.000 1.077 1088 S HN 0.646 nan 8.310 nan 0.000 0.485 1089 I N -1.081 119.497 120.570 0.013 0.000 2.865 1089 I HA 0.674 4.844 4.170 -0.000 0.000 0.302 1089 I C -1.436 174.736 176.117 0.093 0.000 1.140 1089 I CA -1.209 60.122 61.300 0.052 0.000 1.021 1089 I CB 2.032 40.070 38.000 0.063 0.000 1.233 1089 I HN 0.618 nan 8.210 nan 0.000 0.427 1090 N N 2.515 121.281 118.700 0.110 0.000 2.456 1090 N HA 0.678 5.418 4.740 -0.000 0.000 0.296 1090 N C -1.713 173.937 175.510 0.234 0.000 1.102 1090 N CA -0.575 52.562 53.050 0.145 0.000 0.924 1090 N CB 1.503 40.042 38.487 0.087 0.000 1.186 1090 N HN 0.676 nan 8.380 nan 0.000 0.492 1091 Y N -0.541 119.813 120.300 0.091 0.000 2.474 1091 Y HA 0.529 5.079 4.550 -0.000 0.000 0.326 1091 Y C -1.057 174.917 175.900 0.124 0.000 1.160 1091 Y CA -0.744 57.407 58.100 0.085 0.000 1.056 1091 Y CB 0.878 39.380 38.460 0.071 0.000 1.330 1091 Y HN 0.557 nan 8.280 nan 0.000 0.447 1092 R N 2.441 122.758 120.500 -0.304 0.000 2.294 1092 R HA 0.687 5.027 4.340 -0.000 0.000 0.319 1092 R C 0.185 176.382 176.300 -0.171 0.000 0.984 1092 R CA -0.169 55.854 56.100 -0.128 0.000 0.861 1092 R CB -0.027 30.191 30.300 -0.136 0.000 1.104 1092 R HN 0.801 nan 8.270 nan 0.000 0.451 1093 T N 0.000 114.626 114.554 0.120 0.000 3.816 1093 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1093 T CA 0.000 62.185 62.100 0.141 0.000 1.349 1093 T CB 0.000 68.963 68.868 0.158 0.000 0.612 1093 T HN 0.000 nan 8.240 nan 0.000 0.658