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 1ord_1_A DATA FIRST_RESID 1 DATA SEQUENCE SSSLKIASTQ EARQYFDTDR VVVDAVGSDF TDVGAVIAMD YETDVIDAAD DATA SEQUENCE ATKFGIPVFA VTKDAQAISA DELKKIFHII DLENKFDATV NAREIETAVN DATA SEQUENCE NYEDSILPPF FKSLKEYVSR GLIQFDCPGH QGGQYYRKHP AGREFYDFFG DATA SEQUENCE ETVFRADLCN ADVALGDLLI HEGPAVAAEK HAARVYNADK TYFVLGGSSN DATA SEQUENCE ANNTVTSALV SNGDLVLFDR NNHKSVYNSA LAMAGGRPVY LQTNRNPYGF DATA SEQUENCE IGGIYDSDFD EKKIRELAAK VDPERAKWKR PFRLAVIQLG TYDGTIYNAH DATA SEQUENCE EVVKRIGHLC DYIEFDSAWV GYEQFIPMMR NSSPLLIDDL GPEDPGIIVV DATA SEQUENCE QSVHKQQAGF SQTSQIHKKD SHIKGQLRYC DHKHFNNSFN LFMSTSPFYP DATA SEQUENCE MYAALDVNAA MQEGEAGRKL WHDLLITTIE ARKKLIKAGS MFRPFVPPVV DATA SEQUENCE NGKKWEDGDT EDMANNIDYW RFEKGAKWHA YEGYGDNQYY VDPNKFMLTT DATA SEQUENCE PGINPETGDY EDFGVPATIV ANYLRDHGII PEKSDLNSIL FLMTPAETPA DATA SEQUENCE KMNNLITQLL QLQRLIEEDA PLKQVLPSIY AANEERYNGY TIRELCQELH DATA SEQUENCE DFYKNNNTFT YQKRLFLREF FPEQGMLPYE ARQEFIRNHN KLVPLNKIEG DATA SEQUENCE EIALEGALPY PPGVFCVAPG EKWSETAVKY FTILQDGINN FPGFAPEIQG DATA SEQUENCE VYFKQEGDKV VAYGEVYDAE VAKNDDRYNN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.606 174.600 0.010 0.000 1.055 1 S CA 0.000 58.209 58.200 0.015 0.000 1.107 1 S CB 0.000 63.211 63.200 0.018 0.000 0.593 2 S N 5.183 120.885 115.700 0.003 0.000 2.387 2 S HA 0.051 nan 4.470 nan 0.000 0.221 2 S C 0.755 175.357 174.600 0.002 0.000 1.041 2 S CA 1.460 59.657 58.200 -0.005 0.000 0.959 2 S CB 0.608 63.795 63.200 -0.020 0.000 0.843 2 S HN 0.376 8.857 8.310 0.003 -0.170 0.488 3 S N 0.332 116.036 115.700 0.008 0.000 2.670 3 S HA 0.175 nan 4.470 nan 0.000 0.241 3 S C -0.228 174.389 174.600 0.028 0.000 1.077 3 S CA -0.087 58.122 58.200 0.016 0.000 0.899 3 S CB 1.604 64.813 63.200 0.016 0.000 0.835 3 S HN -0.306 8.008 8.310 0.006 0.000 0.481 4 L N 3.004 124.248 121.223 0.035 0.000 2.525 4 L HA -0.153 nan 4.340 nan 0.000 0.278 4 L C -0.193 176.705 176.870 0.047 0.000 1.218 4 L CA 0.564 55.437 54.840 0.056 0.000 0.878 4 L CB 0.187 42.298 42.059 0.086 0.000 1.127 4 L HN -0.349 7.898 8.230 0.028 0.000 0.492 5 K N 1.763 122.193 120.400 0.051 0.000 2.760 5 K HA 0.697 nan 4.320 nan 0.000 0.285 5 K C -0.944 175.681 176.600 0.042 0.000 1.016 5 K CA -1.230 55.084 56.287 0.045 0.000 1.087 5 K CB 2.263 34.789 32.500 0.044 0.000 1.427 5 K HN 0.318 8.604 8.250 0.060 0.000 0.524 6 I N -2.051 118.547 120.570 0.047 0.000 2.610 6 I HA 0.287 nan 4.170 nan 0.000 0.289 6 I C -2.347 173.801 176.117 0.051 0.000 1.163 6 I CA -1.036 60.280 61.300 0.027 0.000 1.044 6 I CB 4.070 42.086 38.000 0.026 0.000 1.251 6 I HN 0.443 8.687 8.210 0.056 0.000 0.424 7 A N 7.664 130.512 122.820 0.046 0.000 2.252 7 A HA 0.552 nan 4.320 nan 0.000 0.309 7 A C -2.131 175.484 177.584 0.052 0.000 1.285 7 A CA -1.536 50.545 52.037 0.072 0.000 0.900 7 A CB 0.835 19.921 19.000 0.144 0.000 1.157 7 A HN 0.277 8.444 8.150 0.028 0.000 0.536 8 S N 3.566 119.316 115.700 0.084 0.000 2.570 8 S HA 0.795 nan 4.470 nan 0.000 0.286 8 S C -0.734 173.929 174.600 0.106 0.000 1.099 8 S CA -1.900 56.364 58.200 0.105 0.000 0.913 8 S CB 3.004 66.390 63.200 0.310 0.000 1.085 8 S HN -0.091 8.274 8.310 0.093 0.000 0.480 9 T N 1.415 116.027 114.554 0.097 0.000 2.899 9 T HA 0.387 nan 4.350 nan 0.000 0.284 9 T C 1.265 176.018 174.700 0.089 0.000 1.004 9 T CA -1.213 60.930 62.100 0.071 0.000 1.043 9 T CB 1.961 70.853 68.868 0.039 0.000 1.013 9 T HN 0.172 8.470 8.240 0.097 0.000 0.518 10 Q N 1.339 121.177 119.800 0.063 0.000 2.152 10 Q HA -0.350 nan 4.340 nan 0.000 0.206 10 Q C 2.020 178.054 176.000 0.056 0.000 0.985 10 Q CA 4.399 60.231 55.803 0.050 0.000 0.863 10 Q CB -0.234 28.525 28.738 0.035 0.000 0.904 10 Q HN 0.500 8.800 8.270 0.050 0.000 0.422 11 E N -2.208 118.049 120.200 0.095 0.000 2.072 11 E HA -0.187 nan 4.350 nan 0.000 0.191 11 E C 1.301 178.044 176.600 0.237 0.000 0.985 11 E CA 1.783 58.276 56.400 0.154 0.000 0.801 11 E CB -0.445 29.382 29.700 0.212 0.000 0.750 11 E HN 0.134 8.539 8.360 0.090 0.009 0.452 12 A N -2.110 120.857 122.820 0.245 0.000 2.066 12 A HA -0.099 nan 4.320 nan 0.000 0.218 12 A C 2.362 180.181 177.584 0.392 0.000 1.157 12 A CA 1.844 54.109 52.037 0.380 0.000 0.670 12 A CB -0.211 18.939 19.000 0.249 0.000 0.804 12 A HN -0.594 7.573 8.150 0.169 0.084 0.453 13 R N -0.458 120.172 120.500 0.216 0.000 2.115 13 R HA -0.385 nan 4.340 nan 0.000 0.239 13 R C 2.599 178.789 176.300 -0.183 0.000 1.133 13 R CA 3.156 59.296 56.100 0.066 0.000 0.935 13 R CB -0.429 29.863 30.300 -0.014 0.000 0.853 13 R HN -0.153 8.067 8.270 0.161 0.147 0.433 14 Q N -2.802 116.838 119.800 -0.267 0.000 2.439 14 Q HA -0.190 nan 4.340 nan 0.000 0.211 14 Q C 1.575 177.354 176.000 -0.369 0.000 0.978 14 Q CA 2.425 57.990 55.803 -0.397 0.000 0.897 14 Q CB -0.707 27.714 28.738 -0.528 0.000 0.956 14 Q HN 0.055 8.189 8.270 -0.227 0.000 0.483 15 Y N -2.887 117.437 120.300 0.040 0.000 2.457 15 Y HA 0.018 nan 4.550 nan 0.000 0.263 15 Y C -0.739 175.257 175.900 0.160 0.000 1.164 15 Y CA -0.330 57.826 58.100 0.092 0.000 1.274 15 Y CB 0.660 39.197 38.460 0.128 0.000 1.097 15 Y HN -0.400 7.689 8.280 -0.005 0.187 0.523 16 F N -4.125 115.891 119.950 0.110 0.000 2.603 16 F HA 0.354 nan 4.527 nan 0.000 0.317 16 F C -1.168 174.637 175.800 0.009 0.000 1.066 16 F CA -2.133 55.898 58.000 0.051 0.000 0.941 16 F CB 2.578 41.588 39.000 0.018 0.000 1.291 16 F HN -0.845 7.450 8.300 -0.009 0.000 0.472 17 D N -0.549 119.887 120.400 0.061 0.000 2.540 17 D HA 0.122 nan 4.640 nan 0.000 0.229 17 D C -0.109 176.196 176.300 0.007 0.000 1.250 17 D CA -0.533 53.421 54.000 -0.077 0.000 0.817 17 D CB 0.837 41.620 40.800 -0.028 0.000 1.060 17 D HN 0.474 8.992 8.370 0.246 0.000 0.508 18 T N 3.675 118.342 114.554 0.188 0.000 4.475 18 T HA -0.037 nan 4.350 nan 0.000 0.254 18 T C 0.203 174.963 174.700 0.100 0.000 1.160 18 T CA 0.711 62.894 62.100 0.139 0.000 1.091 18 T CB -1.424 67.518 68.868 0.124 0.000 1.377 18 T HN -0.110 8.420 8.240 0.484 0.000 1.057 19 D N 2.727 123.122 120.400 -0.008 0.000 2.325 19 D HA -0.050 nan 4.640 nan 0.000 0.234 19 D C 0.024 176.315 176.300 -0.015 0.000 1.122 19 D CA 1.166 55.135 54.000 -0.051 0.000 0.850 19 D CB -0.468 40.269 40.800 -0.105 0.000 0.921 19 D HN 0.409 8.720 8.370 -0.018 0.049 0.513 20 R N -1.469 119.036 120.500 0.010 0.000 2.127 20 R HA 0.007 nan 4.340 nan 0.000 0.217 20 R C -0.010 176.300 176.300 0.015 0.000 1.074 20 R CA 0.677 56.783 56.100 0.009 0.000 0.991 20 R CB 0.398 30.705 30.300 0.012 0.000 0.895 20 R HN 0.031 8.196 8.270 0.025 0.119 0.450 21 V N -5.210 114.723 119.914 0.031 0.000 3.406 21 V HA 0.209 nan 4.120 nan 0.000 0.305 21 V C -0.877 175.240 176.094 0.039 0.000 1.136 21 V CA -2.555 59.765 62.300 0.034 0.000 1.011 21 V CB 1.593 33.440 31.823 0.039 0.000 1.221 21 V HN -0.806 7.412 8.190 0.045 0.000 0.454 22 V N 1.242 121.178 119.914 0.037 0.000 2.439 22 V HA 0.077 nan 4.120 nan 0.000 0.271 22 V C -0.617 175.512 176.094 0.058 0.000 1.040 22 V CA 0.776 63.098 62.300 0.036 0.000 1.002 22 V CB -1.268 30.572 31.823 0.027 0.000 1.000 22 V HN 0.304 8.514 8.190 0.033 0.000 0.477 23 V N 6.969 126.923 119.914 0.068 0.000 2.612 23 V HA 0.574 nan 4.120 nan 0.000 0.301 23 V C -1.010 175.123 176.094 0.066 0.000 1.046 23 V CA -1.472 60.892 62.300 0.107 0.000 0.946 23 V CB 1.444 33.359 31.823 0.154 0.000 1.003 23 V HN 0.364 8.583 8.190 0.047 0.000 0.459 24 D N 2.195 122.633 120.400 0.064 0.000 2.706 24 D HA 0.143 nan 4.640 nan 0.000 0.225 24 D C -1.270 175.044 176.300 0.023 0.000 1.241 24 D CA -1.082 52.936 54.000 0.031 0.000 0.784 24 D CB 2.361 43.166 40.800 0.010 0.000 1.521 24 D HN 0.403 8.729 8.370 0.080 0.092 0.461 25 A N 0.548 123.371 122.820 0.006 0.000 2.422 25 A HA -0.089 nan 4.320 nan 0.000 0.278 25 A C -0.430 177.129 177.584 -0.042 0.000 1.181 25 A CA 0.891 52.925 52.037 -0.005 0.000 0.866 25 A CB 0.351 19.342 19.000 -0.014 0.000 1.113 25 A HN 0.139 8.291 8.150 0.003 0.000 0.523 26 V N -2.231 117.654 119.914 -0.049 0.000 2.349 26 V HA 0.063 nan 4.120 nan 0.000 0.284 26 V C -0.053 175.967 176.094 -0.124 0.000 1.014 26 V CA 0.217 62.449 62.300 -0.113 0.000 0.826 26 V CB -0.232 31.586 31.823 -0.008 0.000 1.009 26 V HN 0.209 8.387 8.190 -0.021 0.000 0.431 27 G N 5.248 113.923 108.800 -0.209 0.000 4.983 27 G HA2 -0.059 nan 3.960 nan 0.000 0.209 27 G HA3 -0.059 nan 3.960 nan 0.000 0.209 27 G C -0.790 173.957 174.900 -0.254 0.000 0.863 27 G CA 0.398 45.396 45.100 -0.170 0.000 0.793 27 G HN 0.078 8.204 8.290 -0.274 0.000 0.341 28 S N 0.086 115.509 115.700 -0.462 0.000 2.603 28 S HA 0.105 nan 4.470 nan 0.000 0.268 28 S C -0.031 174.232 174.600 -0.563 0.000 1.317 28 S CA -0.728 57.151 58.200 -0.535 0.000 1.012 28 S CB 0.876 63.636 63.200 -0.734 0.000 0.926 28 S HN -0.442 7.453 8.310 -0.592 0.060 0.539 29 D N 2.949 123.188 120.400 -0.269 0.000 2.349 29 D HA -0.005 nan 4.640 nan 0.000 0.214 29 D C -0.136 176.254 176.300 0.149 0.000 1.063 29 D CA -0.096 53.863 54.000 -0.067 0.000 0.847 29 D CB -0.552 40.250 40.800 0.004 0.000 0.933 29 D HN 0.307 8.563 8.370 -0.190 0.000 0.513 30 F N -3.423 116.583 119.950 0.092 0.000 3.048 30 F HA -0.371 nan 4.527 nan 0.000 0.287 30 F C 0.668 176.636 175.800 0.280 0.000 0.796 30 F CA 1.084 59.174 58.000 0.149 0.000 1.111 30 F CB -2.105 36.962 39.000 0.112 0.000 1.320 30 F HN -0.012 8.032 8.300 -0.293 0.080 0.430 31 T N -5.053 109.720 114.554 0.364 0.000 3.129 31 T HA -0.039 nan 4.350 nan 0.000 0.251 31 T C -0.050 174.721 174.700 0.118 0.000 1.117 31 T CA 1.580 63.819 62.100 0.231 0.000 1.034 31 T CB -0.321 68.653 68.868 0.176 0.000 0.968 31 T HN -0.444 8.123 8.240 0.251 -0.177 0.526 32 D N -1.915 118.565 120.400 0.134 0.000 2.594 32 D HA 0.080 nan 4.640 nan 0.000 0.256 32 D C -2.134 174.235 176.300 0.115 0.000 1.393 32 D CA -0.527 53.532 54.000 0.098 0.000 0.797 32 D CB -0.378 40.458 40.800 0.061 0.000 1.110 32 D HN 0.043 8.453 8.370 0.163 0.057 0.495 33 V N -0.406 119.602 119.914 0.157 0.000 2.394 33 V HA 0.413 nan 4.120 nan 0.000 0.282 33 V C 0.043 176.175 176.094 0.062 0.000 1.031 33 V CA -0.387 61.988 62.300 0.125 0.000 0.881 33 V CB 0.751 32.702 31.823 0.212 0.000 0.982 33 V HN -0.772 7.475 8.190 0.201 0.064 0.451 34 G N 4.898 113.715 108.800 0.028 0.000 2.719 34 G HA2 0.194 nan 3.960 nan 0.000 0.211 34 G HA3 0.194 nan 3.960 nan 0.000 0.211 34 G C -1.621 173.157 174.900 -0.202 0.000 1.140 34 G CA -0.275 44.830 45.100 0.008 0.000 0.790 34 G HN 0.210 8.521 8.290 0.033 0.000 0.529 35 A N -2.268 120.453 122.820 -0.165 0.000 2.547 35 A HA 0.534 nan 4.320 nan 0.000 0.297 35 A C -2.487 175.019 177.584 -0.129 0.000 1.056 35 A CA -0.768 51.164 52.037 -0.174 0.000 0.688 35 A CB 2.449 21.308 19.000 -0.236 0.000 1.282 35 A HN -0.796 7.293 8.150 -0.102 0.000 0.400 36 V N 1.797 121.665 119.914 -0.077 0.000 2.495 36 V HA 0.764 nan 4.120 nan 0.000 0.298 36 V C -1.682 174.399 176.094 -0.022 0.000 1.031 36 V CA -1.057 61.224 62.300 -0.033 0.000 0.871 36 V CB 2.365 34.158 31.823 -0.049 0.000 0.988 36 V HN 0.427 8.601 8.190 -0.027 0.000 0.432 37 I N 7.807 128.322 120.570 -0.091 0.000 2.410 37 I HA 0.768 nan 4.170 nan 0.000 0.286 37 I C -2.516 173.589 176.117 -0.019 0.000 1.009 37 I CA -0.996 60.233 61.300 -0.118 0.000 1.111 37 I CB 2.075 39.770 38.000 -0.509 0.000 1.262 37 I HN 0.722 8.886 8.210 -0.076 0.000 0.443 38 A N 5.948 128.778 122.820 0.016 0.000 2.552 38 A HA 0.779 nan 4.320 nan 0.000 0.288 38 A C -2.148 175.413 177.584 -0.037 0.000 1.193 38 A CA -1.659 50.376 52.037 -0.004 0.000 0.713 38 A CB 3.816 22.801 19.000 -0.026 0.000 1.305 38 A HN 1.001 9.173 8.150 0.036 0.000 0.424 39 M N -1.162 118.347 119.600 -0.152 0.000 2.277 39 M HA 0.370 nan 4.480 nan 0.000 0.350 39 M C 1.819 177.952 176.300 -0.278 0.000 1.180 39 M CA -2.944 52.210 55.300 -0.244 0.000 1.103 39 M CB -0.177 32.114 32.600 -0.516 0.000 1.577 39 M HN -0.018 8.436 8.290 -0.200 -0.283 0.459 40 D N 5.221 125.545 120.400 -0.126 0.000 2.203 40 D HA -0.384 nan 4.640 nan 0.000 0.199 40 D C 0.641 176.931 176.300 -0.016 0.000 0.997 40 D CA 3.136 57.108 54.000 -0.046 0.000 0.863 40 D CB -0.788 40.024 40.800 0.020 0.000 0.928 40 D HN 0.571 8.898 8.370 -0.072 0.000 0.458 41 Y N -4.715 115.594 120.300 0.016 0.000 2.519 41 Y HA 0.062 nan 4.550 nan 0.000 0.287 41 Y C 0.424 176.337 175.900 0.022 0.000 1.128 41 Y CA -0.951 57.158 58.100 0.016 0.000 1.282 41 Y CB -0.467 38.003 38.460 0.017 0.000 1.027 41 Y HN -0.434 7.714 8.280 -0.162 0.035 0.551 42 E N 1.896 121.896 120.200 -0.332 0.000 2.148 42 E HA 0.050 nan 4.350 nan 0.000 0.308 42 E C 0.017 176.578 176.600 -0.065 0.000 1.278 42 E CA -0.521 55.770 56.400 -0.182 0.000 1.368 42 E CB -2.244 27.290 29.700 -0.275 0.000 1.229 42 E HN -0.107 7.744 8.360 -0.580 0.162 0.494 43 T N -1.908 112.644 114.554 -0.003 0.000 3.035 43 T HA -0.198 nan 4.350 nan 0.000 0.268 43 T C 0.959 175.662 174.700 0.005 0.000 1.109 43 T CA 3.262 65.364 62.100 0.003 0.000 1.119 43 T CB -0.099 68.782 68.868 0.022 0.000 0.900 43 T HN 0.017 8.221 8.240 0.037 0.058 0.503 44 D N 1.205 121.615 120.400 0.016 0.000 2.289 44 D HA -0.028 nan 4.640 nan 0.000 0.207 44 D C 1.611 177.932 176.300 0.036 0.000 0.966 44 D CA 3.095 57.108 54.000 0.022 0.000 0.868 44 D CB -0.366 40.451 40.800 0.028 0.000 0.943 44 D HN 0.051 8.392 8.370 0.021 0.041 0.514 45 V N 0.563 120.499 119.914 0.037 0.000 2.407 45 V HA -0.272 nan 4.120 nan 0.000 0.245 45 V C 1.348 177.469 176.094 0.044 0.000 1.041 45 V CA 3.800 66.151 62.300 0.085 0.000 1.040 45 V CB -0.560 31.306 31.823 0.072 0.000 0.671 45 V HN -0.694 7.477 8.190 0.017 0.028 0.455 46 I N -1.741 118.824 120.570 -0.009 0.000 2.493 46 I HA -0.523 nan 4.170 nan 0.000 0.254 46 I C 1.756 177.830 176.117 -0.072 0.000 1.160 46 I CA 3.828 65.097 61.300 -0.051 0.000 1.445 46 I CB -0.781 37.193 38.000 -0.043 0.000 1.086 46 I HN -0.733 7.472 8.210 -0.008 0.000 0.433 47 D N 0.121 120.497 120.400 -0.039 0.000 2.162 47 D HA -0.104 nan 4.640 nan 0.000 0.205 47 D C 1.791 178.061 176.300 -0.051 0.000 0.964 47 D CA 3.200 57.174 54.000 -0.043 0.000 0.847 47 D CB -0.688 40.101 40.800 -0.018 0.000 0.988 47 D HN -0.617 7.610 8.370 -0.015 0.134 0.480 48 A N -0.208 122.618 122.820 0.009 0.000 1.877 48 A HA -0.228 nan 4.320 nan 0.000 0.216 48 A C 1.907 179.439 177.584 -0.086 0.000 1.186 48 A CA 3.153 55.243 52.037 0.088 0.000 0.620 48 A CB -0.725 18.455 19.000 0.301 0.000 0.822 48 A HN 0.059 8.122 8.150 0.038 0.110 0.443 49 A N -3.115 119.485 122.820 -0.367 0.000 1.933 49 A HA -0.324 nan 4.320 nan 0.000 0.218 49 A C 2.130 179.422 177.584 -0.487 0.000 1.175 49 A CA 2.993 54.477 52.037 -0.922 0.000 0.628 49 A CB -0.617 17.953 19.000 -0.717 0.000 0.814 49 A HN 0.224 8.273 8.150 -0.170 0.000 0.444 50 D N -0.702 119.533 120.400 -0.275 0.000 2.091 50 D HA -0.215 nan 4.640 nan 0.000 0.199 50 D C 2.361 178.555 176.300 -0.177 0.000 0.980 50 D CA 3.681 57.567 54.000 -0.190 0.000 0.831 50 D CB -0.009 40.717 40.800 -0.122 0.000 0.987 50 D HN -0.586 7.538 8.370 -0.222 0.113 0.460 51 A N -1.568 121.158 122.820 -0.157 0.000 1.986 51 A HA -0.251 nan 4.320 nan 0.000 0.220 51 A C 2.441 179.900 177.584 -0.209 0.000 1.171 51 A CA 3.018 54.970 52.037 -0.142 0.000 0.640 51 A CB -0.655 18.285 19.000 -0.100 0.000 0.811 51 A HN 0.161 8.230 8.150 -0.136 0.000 0.451 52 T N -6.504 107.847 114.554 -0.338 0.000 2.918 52 T HA -0.255 nan 4.350 nan 0.000 0.271 52 T C 1.157 175.547 174.700 -0.517 0.000 1.104 52 T CA 1.599 63.305 62.100 -0.657 0.000 1.114 52 T CB -0.354 67.791 68.868 -1.203 0.000 0.855 52 T HN -0.639 7.385 8.240 -0.318 0.025 0.518 53 K N -3.485 116.778 120.400 -0.230 0.000 3.274 53 K HA -0.404 nan 4.320 nan 0.000 0.300 53 K C 0.125 176.822 176.600 0.162 0.000 1.230 53 K CA 1.427 57.692 56.287 -0.037 0.000 0.884 53 K CB -2.206 30.289 32.500 -0.009 0.000 1.242 53 K HN 0.218 8.159 8.250 -0.224 0.175 0.467 54 F N -1.422 118.521 119.950 -0.012 0.000 2.293 54 F HA -0.166 nan 4.527 nan 0.000 0.297 54 F C 1.698 177.555 175.800 0.095 0.000 1.089 54 F CA -0.523 57.505 58.000 0.046 0.000 1.377 54 F CB 0.210 39.240 39.000 0.050 0.000 1.051 54 F HN -0.724 7.489 8.300 -0.053 0.055 0.511 55 G N -2.425 106.491 108.800 0.194 0.000 2.142 55 G HA2 -0.407 nan 3.960 nan 0.000 0.225 55 G HA3 -0.407 nan 3.960 nan 0.000 0.225 55 G C -0.447 174.440 174.900 -0.021 0.000 1.015 55 G CA -0.163 45.009 45.100 0.121 0.000 0.716 55 G HN 0.160 8.513 8.290 0.104 0.000 0.508 56 I N 1.645 122.067 120.570 -0.247 0.000 2.496 56 I HA 0.053 nan 4.170 nan 0.000 0.285 56 I C -1.238 174.674 176.117 -0.342 0.000 1.080 56 I CA -2.818 58.120 61.300 -0.603 0.000 1.404 56 I CB 0.547 38.237 38.000 -0.517 0.000 1.403 56 I HN -0.257 7.871 8.210 -0.137 0.000 0.539 57 P HA 0.075 nan 4.420 nan 0.000 0.276 57 P C -1.658 175.634 177.300 -0.014 0.000 1.253 57 P CA -0.332 62.648 63.100 -0.200 0.000 0.766 57 P CB 0.109 31.583 31.700 -0.377 0.000 0.845 58 V N 3.766 123.677 119.914 -0.004 0.000 2.439 58 V HA 0.492 nan 4.120 nan 0.000 0.282 58 V C -0.830 175.304 176.094 0.066 0.000 1.039 58 V CA -0.420 61.908 62.300 0.048 0.000 0.913 58 V CB 1.076 32.876 31.823 -0.038 0.000 0.983 58 V HN 0.230 8.404 8.190 -0.028 0.000 0.460 59 F N 6.962 126.902 119.950 -0.016 0.000 2.426 59 F HA 0.545 nan 4.527 nan 0.000 0.348 59 F C -1.953 173.838 175.800 -0.014 0.000 1.124 59 F CA -2.138 55.875 58.000 0.023 0.000 1.008 59 F CB 2.665 41.663 39.000 -0.003 0.000 1.139 59 F HN 1.097 9.494 8.300 0.341 0.107 0.452 60 A N 4.459 127.336 122.820 0.094 0.000 2.258 60 A HA 0.737 nan 4.320 nan 0.000 0.316 60 A C -1.436 176.171 177.584 0.038 0.000 1.279 60 A CA -1.637 50.422 52.037 0.037 0.000 0.876 60 A CB 0.843 19.837 19.000 -0.010 0.000 1.170 60 A HN 0.509 8.687 8.150 0.046 0.000 0.520 61 V N 5.489 125.417 119.914 0.023 0.000 2.498 61 V HA 0.506 nan 4.120 nan 0.000 0.279 61 V C -0.617 175.441 176.094 -0.059 0.000 1.048 61 V CA -0.366 61.923 62.300 -0.018 0.000 0.967 61 V CB -0.189 31.614 31.823 -0.032 0.000 0.988 61 V HN 0.871 8.958 8.190 0.016 0.113 0.473 62 T N 2.657 117.167 114.554 -0.074 0.000 2.838 62 T HA 0.565 nan 4.350 nan 0.000 0.292 62 T C -1.307 173.348 174.700 -0.075 0.000 1.113 62 T CA -1.023 61.047 62.100 -0.048 0.000 1.008 62 T CB 3.255 72.110 68.868 -0.022 0.000 1.259 62 T HN 0.594 8.785 8.240 -0.081 0.000 0.520 63 K N -0.535 119.843 120.400 -0.037 0.000 2.554 63 K HA 0.195 nan 4.320 nan 0.000 0.211 63 K C -2.037 174.555 176.600 -0.013 0.000 1.226 63 K CA 0.514 56.781 56.287 -0.034 0.000 1.025 63 K CB 1.607 34.092 32.500 -0.025 0.000 1.021 63 K HN 0.517 8.761 8.250 -0.009 0.000 0.600 64 D N -1.647 118.748 120.400 -0.008 0.000 2.934 64 D HA 0.116 nan 4.640 nan 0.000 0.249 64 D C -0.009 176.286 176.300 -0.007 0.000 1.293 64 D CA 0.263 54.260 54.000 -0.005 0.000 0.812 64 D CB -0.083 40.717 40.800 0.000 0.000 1.439 64 D HN -0.612 7.697 8.370 -0.007 0.056 0.555 65 A N 2.506 125.317 122.820 -0.015 0.000 2.019 65 A HA -0.180 nan 4.320 nan 0.000 0.219 65 A C 1.661 179.232 177.584 -0.022 0.000 1.164 65 A CA 2.608 54.632 52.037 -0.022 0.000 0.644 65 A CB 0.051 19.032 19.000 -0.031 0.000 0.805 65 A HN 0.322 8.462 8.150 -0.016 0.000 0.449 66 Q N -0.030 119.759 119.800 -0.019 0.000 2.364 66 Q HA -0.202 nan 4.340 nan 0.000 0.207 66 Q C 0.918 176.909 176.000 -0.015 0.000 0.970 66 Q CA 1.615 57.406 55.803 -0.019 0.000 0.888 66 Q CB -0.469 28.259 28.738 -0.017 0.000 0.951 66 Q HN 0.333 8.564 8.270 -0.017 0.028 0.469 67 A N -2.361 120.453 122.820 -0.010 0.000 2.147 67 A HA 0.031 nan 4.320 nan 0.000 0.211 67 A C 0.245 177.827 177.584 -0.003 0.000 1.160 67 A CA 0.116 52.150 52.037 -0.005 0.000 0.781 67 A CB 0.648 19.648 19.000 0.000 0.000 0.842 67 A HN -0.322 7.633 8.150 -0.009 0.189 0.475 68 I N 0.181 120.748 120.570 -0.006 0.000 2.683 68 I HA -0.223 nan 4.170 nan 0.000 0.286 68 I C 0.567 176.677 176.117 -0.012 0.000 1.175 68 I CA 0.776 62.072 61.300 -0.006 0.000 1.429 68 I CB 0.240 38.231 38.000 -0.014 0.000 1.371 68 I HN -0.709 7.384 8.210 -0.010 0.110 0.569 69 S N 8.301 123.995 115.700 -0.009 0.000 2.585 69 S HA 0.021 nan 4.470 nan 0.000 0.273 69 S C 1.035 175.624 174.600 -0.018 0.000 1.339 69 S CA -0.576 57.617 58.200 -0.012 0.000 1.028 69 S CB 1.349 64.544 63.200 -0.007 0.000 0.906 69 S HN 0.249 8.558 8.310 -0.003 0.000 0.528 70 A N 3.854 126.663 122.820 -0.020 0.000 1.869 70 A HA -0.372 nan 4.320 nan 0.000 0.218 70 A C 1.561 179.130 177.584 -0.024 0.000 1.203 70 A CA 3.227 55.250 52.037 -0.024 0.000 0.638 70 A CB -1.058 17.929 19.000 -0.021 0.000 0.831 70 A HN 0.728 8.867 8.150 -0.017 0.000 0.450 71 D N -2.692 117.696 120.400 -0.020 0.000 2.191 71 D HA -0.333 nan 4.640 nan 0.000 0.195 71 D C 2.598 178.884 176.300 -0.022 0.000 1.003 71 D CA 3.616 57.604 54.000 -0.020 0.000 0.867 71 D CB -0.387 40.404 40.800 -0.015 0.000 0.926 71 D HN 0.375 8.735 8.370 -0.017 0.000 0.450 72 E N -0.867 119.321 120.200 -0.021 0.000 2.216 72 E HA -0.161 nan 4.350 nan 0.000 0.192 72 E C 2.255 178.835 176.600 -0.033 0.000 0.988 72 E CA 1.986 58.371 56.400 -0.024 0.000 0.834 72 E CB 0.035 29.726 29.700 -0.016 0.000 0.772 72 E HN -0.518 7.711 8.360 -0.018 0.120 0.479 73 L N -0.691 120.510 121.223 -0.036 0.000 2.191 73 L HA -0.255 nan 4.340 nan 0.000 0.212 73 L C 2.389 179.229 176.870 -0.050 0.000 1.103 73 L CA 2.277 57.088 54.840 -0.049 0.000 0.769 73 L CB -0.338 41.690 42.059 -0.051 0.000 0.908 73 L HN -0.183 7.908 8.230 -0.032 0.121 0.438 74 K N -2.372 118.005 120.400 -0.039 0.000 2.525 74 K HA -0.139 nan 4.320 nan 0.000 0.192 74 K C 0.533 177.112 176.600 -0.035 0.000 1.029 74 K CA 1.811 58.077 56.287 -0.035 0.000 1.029 74 K CB -0.593 31.890 32.500 -0.029 0.000 0.814 74 K HN -0.467 7.619 8.250 -0.035 0.144 0.503 75 K N -3.767 116.609 120.400 -0.040 0.000 2.391 75 K HA 0.040 nan 4.320 nan 0.000 0.197 75 K C -0.284 176.288 176.600 -0.047 0.000 1.087 75 K CA 0.163 56.423 56.287 -0.044 0.000 1.012 75 K CB 1.953 34.425 32.500 -0.046 0.000 0.925 75 K HN -0.328 7.699 8.250 -0.042 0.198 0.547 76 I N -5.865 114.675 120.570 -0.050 0.000 2.793 76 I HA 0.199 nan 4.170 nan 0.000 0.313 76 I C -0.544 175.539 176.117 -0.058 0.000 0.998 76 I CA -1.005 60.261 61.300 -0.058 0.000 1.140 76 I CB 1.703 39.658 38.000 -0.074 0.000 1.327 76 I HN -0.773 7.406 8.210 -0.052 0.000 0.491 77 F N 3.302 123.095 119.950 -0.262 0.000 2.315 77 F HA 0.164 nan 4.527 nan 0.000 0.284 77 F C -0.614 175.053 175.800 -0.221 0.000 1.049 77 F CA 0.802 58.613 58.000 -0.315 0.000 1.323 77 F CB 2.002 40.715 39.000 -0.478 0.000 1.113 77 F HN 0.666 8.806 8.300 -0.075 0.114 0.544 78 H N -3.607 115.005 119.070 -0.763 0.000 2.961 78 H HA 0.253 nan 4.556 nan 0.000 0.371 78 H C -1.808 173.303 175.328 -0.361 0.000 1.190 78 H CA -1.126 54.516 56.048 -0.677 0.000 1.138 78 H CB 3.697 33.037 29.762 -0.703 0.000 1.816 78 H HN -0.703 7.253 8.280 -0.540 0.000 0.551 79 I N 1.270 121.774 120.570 -0.110 0.000 2.437 79 I HA 0.429 nan 4.170 nan 0.000 0.298 79 I C -0.575 175.573 176.117 0.052 0.000 0.984 79 I CA -0.732 60.547 61.300 -0.035 0.000 1.214 79 I CB 1.579 39.533 38.000 -0.076 0.000 1.365 79 I HN 0.230 8.309 8.210 -0.218 0.000 0.469 80 I N 7.271 127.894 120.570 0.089 0.000 2.382 80 I HA 0.098 nan 4.170 nan 0.000 0.285 80 I C -1.949 174.187 176.117 0.032 0.000 1.007 80 I CA -1.220 60.148 61.300 0.113 0.000 1.142 80 I CB 2.518 40.631 38.000 0.187 0.000 1.289 80 I HN 0.491 8.739 8.210 0.063 0.000 0.453 81 D N 8.513 128.927 120.400 0.024 0.000 2.344 81 D HA 0.077 nan 4.640 nan 0.000 0.253 81 D C 1.349 177.635 176.300 -0.024 0.000 1.255 81 D CA -0.648 53.348 54.000 -0.007 0.000 0.894 81 D CB 0.015 40.823 40.800 0.013 0.000 1.067 81 D HN 0.402 8.798 8.370 0.043 0.000 0.492 82 L N 3.524 124.676 121.223 -0.119 0.000 2.141 82 L HA -0.074 nan 4.340 nan 0.000 0.209 82 L C 1.280 178.125 176.870 -0.041 0.000 1.094 82 L CA 2.477 57.204 54.840 -0.189 0.000 0.763 82 L CB -0.079 41.584 42.059 -0.661 0.000 0.908 82 L HN 0.223 8.363 8.230 -0.149 0.000 0.437 83 E N -2.999 117.185 120.200 -0.027 0.000 2.485 83 E HA -0.132 nan 4.350 nan 0.000 0.194 83 E C -0.818 175.808 176.600 0.043 0.000 1.098 83 E CA 0.490 56.900 56.400 0.017 0.000 0.878 83 E CB -0.257 29.453 29.700 0.016 0.000 0.939 83 E HN -0.313 8.177 8.360 -0.047 -0.158 0.503 84 N N -0.384 118.345 118.700 0.048 0.000 2.491 84 N HA 0.069 nan 4.740 nan 0.000 0.274 84 N C -0.988 174.536 175.510 0.023 0.000 1.023 84 N CA -0.103 52.996 53.050 0.083 0.000 0.902 84 N CB 0.767 39.325 38.487 0.118 0.000 1.267 84 N HN -0.736 7.568 8.380 0.037 0.098 0.503 85 K N 4.376 124.699 120.400 -0.129 0.000 2.379 85 K HA 0.026 nan 4.320 nan 0.000 0.194 85 K C 1.904 178.342 176.600 -0.271 0.000 1.031 85 K CA 1.146 57.293 56.287 -0.233 0.000 1.037 85 K CB 0.273 32.567 32.500 -0.344 0.000 0.824 85 K HN 0.411 8.551 8.250 -0.185 0.000 0.516 86 F N 1.087 121.058 119.950 0.035 0.000 2.325 86 F HA -0.191 nan 4.527 nan 0.000 0.299 86 F C 1.354 177.176 175.800 0.036 0.000 1.090 86 F CA 2.429 60.447 58.000 0.030 0.000 1.392 86 F CB -0.228 38.786 39.000 0.023 0.000 1.053 86 F HN -0.496 7.876 8.300 -0.066 -0.112 0.521 87 D N -1.252 119.261 120.400 0.188 0.000 2.340 87 D HA 0.011 nan 4.640 nan 0.000 0.220 87 D C 0.594 176.958 176.300 0.107 0.000 1.039 87 D CA 0.709 54.791 54.000 0.136 0.000 0.866 87 D CB -0.656 40.218 40.800 0.123 0.000 0.913 87 D HN -0.372 8.319 8.370 0.189 -0.208 0.523 88 A N -0.530 122.337 122.820 0.078 0.000 1.948 88 A HA -0.300 nan 4.320 nan 0.000 0.220 88 A C 1.802 179.429 177.584 0.073 0.000 1.177 88 A CA 3.357 55.434 52.037 0.066 0.000 0.636 88 A CB -0.462 18.552 19.000 0.024 0.000 0.815 88 A HN -0.473 7.528 8.150 0.058 0.184 0.449 89 T N -0.875 113.722 114.554 0.071 0.000 2.978 89 T HA -0.057 nan 4.350 nan 0.000 0.262 89 T C 1.813 176.562 174.700 0.082 0.000 1.063 89 T CA 3.813 65.954 62.100 0.067 0.000 1.140 89 T CB -0.189 68.715 68.868 0.060 0.000 0.886 89 T HN 0.201 8.475 8.240 0.072 0.009 0.470 90 V N -0.617 119.354 119.914 0.096 0.000 2.591 90 V HA -0.118 nan 4.120 nan 0.000 0.249 90 V C 1.489 177.665 176.094 0.137 0.000 1.053 90 V CA 2.913 65.278 62.300 0.109 0.000 1.068 90 V CB -0.881 31.006 31.823 0.106 0.000 0.689 90 V HN -0.737 7.511 8.190 0.098 0.000 0.462 91 N N 1.604 120.387 118.700 0.138 0.000 2.058 91 N HA -0.308 nan 4.740 nan 0.000 0.191 91 N C 1.808 177.394 175.510 0.126 0.000 1.037 91 N CA 3.202 56.351 53.050 0.166 0.000 0.848 91 N CB -0.849 37.733 38.487 0.159 0.000 1.021 91 N HN 0.498 8.831 8.380 0.122 0.120 0.422 92 A N -0.143 122.739 122.820 0.102 0.000 1.933 92 A HA -0.272 nan 4.320 nan 0.000 0.218 92 A C 2.365 179.983 177.584 0.057 0.000 1.175 92 A CA 3.051 55.134 52.037 0.076 0.000 0.628 92 A CB -0.562 18.481 19.000 0.072 0.000 0.814 92 A HN -0.434 7.778 8.150 0.103 0.000 0.444 93 R N -1.845 118.701 120.500 0.077 0.000 2.073 93 R HA -0.403 nan 4.340 nan 0.000 0.234 93 R C 2.382 178.739 176.300 0.096 0.000 1.134 93 R CA 3.858 60.004 56.100 0.076 0.000 0.952 93 R CB -0.163 30.187 30.300 0.083 0.000 0.850 93 R HN -0.282 8.040 8.270 0.086 0.000 0.433 94 E N 0.262 120.556 120.200 0.156 0.000 2.023 94 E HA -0.365 nan 4.350 nan 0.000 0.196 94 E C 2.541 179.234 176.600 0.156 0.000 1.003 94 E CA 3.083 59.639 56.400 0.260 0.000 0.809 94 E CB -0.213 29.767 29.700 0.466 0.000 0.755 94 E HN -0.099 8.359 8.360 0.163 0.000 0.449 95 I N -0.613 119.915 120.570 -0.070 0.000 2.151 95 I HA -0.572 nan 4.170 nan 0.000 0.243 95 I C 2.115 178.132 176.117 -0.168 0.000 1.080 95 I CA 4.006 65.067 61.300 -0.399 0.000 1.339 95 I CB -0.291 37.424 38.000 -0.475 0.000 1.039 95 I HN -0.075 8.116 8.210 -0.032 0.000 0.409 96 E N -0.686 119.477 120.200 -0.062 0.000 2.072 96 E HA -0.298 nan 4.350 nan 0.000 0.191 96 E C 2.467 179.061 176.600 -0.011 0.000 0.985 96 E CA 3.215 59.599 56.400 -0.026 0.000 0.801 96 E CB -0.351 29.351 29.700 0.003 0.000 0.750 96 E HN -0.125 8.214 8.360 -0.035 0.000 0.452 97 T N 2.533 117.096 114.554 0.015 0.000 2.746 97 T HA -0.318 nan 4.350 nan 0.000 0.267 97 T C 1.796 176.490 174.700 -0.010 0.000 1.039 97 T CA 4.709 66.822 62.100 0.022 0.000 1.142 97 T CB -0.580 68.326 68.868 0.063 0.000 0.866 97 T HN 0.215 8.367 8.240 0.033 0.107 0.444 98 A N 0.945 123.746 122.820 -0.032 0.000 1.851 98 A HA -0.276 nan 4.320 nan 0.000 0.216 98 A C 1.594 179.133 177.584 -0.076 0.000 1.195 98 A CA 3.393 55.350 52.037 -0.133 0.000 0.622 98 A CB -0.918 18.004 19.000 -0.129 0.000 0.831 98 A HN 0.186 8.341 8.150 0.008 0.000 0.444 99 V N -0.899 118.983 119.914 -0.053 0.000 2.324 99 V HA -0.545 nan 4.120 nan 0.000 0.250 99 V C 2.338 178.458 176.094 0.044 0.000 1.060 99 V CA 4.796 67.103 62.300 0.011 0.000 1.042 99 V CB -1.166 30.649 31.823 -0.012 0.000 0.650 99 V HN 0.076 8.216 8.190 -0.082 0.000 0.450 100 N N -1.329 117.374 118.700 0.006 0.000 2.289 100 N HA -0.286 nan 4.740 nan 0.000 0.184 100 N C 2.344 177.846 175.510 -0.014 0.000 1.016 100 N CA 3.194 56.242 53.050 -0.004 0.000 0.872 100 N CB -0.643 37.839 38.487 -0.008 0.000 0.973 100 N HN 0.039 8.409 8.380 -0.008 0.004 0.433 101 N N 1.291 119.984 118.700 -0.011 0.000 2.290 101 N HA -0.163 nan 4.740 nan 0.000 0.179 101 N C 1.722 177.220 175.510 -0.019 0.000 1.016 101 N CA 2.723 55.758 53.050 -0.024 0.000 0.871 101 N CB 0.441 38.910 38.487 -0.030 0.000 0.987 101 N HN -0.166 8.079 8.380 -0.015 0.126 0.431 102 Y N 1.773 122.010 120.300 -0.104 0.000 2.081 102 Y HA -0.542 nan 4.550 nan 0.000 0.280 102 Y C 1.191 177.047 175.900 -0.074 0.000 1.163 102 Y CA 3.325 61.367 58.100 -0.096 0.000 1.135 102 Y CB -0.009 38.392 38.460 -0.098 0.000 0.970 102 Y HN 0.389 8.732 8.280 0.105 0.000 0.498 103 E N -2.137 117.928 120.200 -0.226 0.000 2.051 103 E HA -0.516 nan 4.350 nan 0.000 0.192 103 E C 2.067 178.529 176.600 -0.230 0.000 0.991 103 E CA 3.071 59.303 56.400 -0.279 0.000 0.799 103 E CB -0.277 29.358 29.700 -0.108 0.000 0.748 103 E HN -0.464 7.900 8.360 0.007 0.000 0.449 104 D N -2.814 117.497 120.400 -0.148 0.000 2.309 104 D HA -0.239 nan 4.640 nan 0.000 0.212 104 D C 1.659 177.878 176.300 -0.136 0.000 0.968 104 D CA 2.958 56.886 54.000 -0.120 0.000 0.882 104 D CB 0.036 40.789 40.800 -0.078 0.000 0.918 104 D HN -0.490 7.747 8.370 -0.111 0.067 0.503 105 S N -1.760 113.836 115.700 -0.174 0.000 2.492 105 S HA 0.015 nan 4.470 nan 0.000 0.218 105 S C 1.095 175.570 174.600 -0.208 0.000 1.016 105 S CA 1.997 60.099 58.200 -0.163 0.000 0.916 105 S CB 0.140 63.271 63.200 -0.115 0.000 0.791 105 S HN -0.169 7.866 8.310 -0.202 0.154 0.513 106 I N -2.594 117.785 120.570 -0.318 0.000 2.585 106 I HA 0.016 nan 4.170 nan 0.000 0.254 106 I C 0.169 176.185 176.117 -0.168 0.000 1.129 106 I CA 1.250 62.375 61.300 -0.292 0.000 1.455 106 I CB 0.506 38.224 38.000 -0.470 0.000 1.111 106 I HN -0.635 7.227 8.210 -0.390 0.114 0.433 107 L N 1.463 122.604 121.223 -0.137 0.000 2.455 107 L HA 0.184 nan 4.340 nan 0.000 0.272 107 L C -1.489 175.362 176.870 -0.031 0.000 1.174 107 L CA -1.460 53.364 54.840 -0.028 0.000 0.869 107 L CB -0.908 41.118 42.059 -0.054 0.000 1.130 107 L HN -0.706 7.415 8.230 -0.182 0.000 0.474 108 P HA 0.253 nan 4.420 nan 0.000 0.272 108 P C -1.472 175.863 177.300 0.058 0.000 1.240 108 P CA -1.276 61.831 63.100 0.012 0.000 0.791 108 P CB -0.662 31.143 31.700 0.177 0.000 0.978 109 P HA -0.256 nan 4.420 nan 0.000 0.213 109 P C 1.233 178.633 177.300 0.167 0.000 1.170 109 P CA 3.047 66.196 63.100 0.081 0.000 0.902 109 P CB 0.105 31.859 31.700 0.091 0.000 0.789 110 F N -1.704 118.330 119.950 0.139 0.000 2.084 110 F HA -0.348 nan 4.527 nan 0.000 0.296 110 F C 1.525 177.437 175.800 0.186 0.000 1.111 110 F CA 3.463 61.564 58.000 0.169 0.000 1.224 110 F CB 0.153 39.330 39.000 0.294 0.000 0.991 110 F HN -0.703 7.960 8.300 0.446 -0.095 0.471 111 F N 0.278 120.311 119.950 0.139 0.000 2.065 111 F HA -0.552 nan 4.527 nan 0.000 0.298 111 F C 1.520 177.276 175.800 -0.073 0.000 1.112 111 F CA 2.436 60.443 58.000 0.012 0.000 1.212 111 F CB -0.186 38.847 39.000 0.056 0.000 0.975 111 F HN 0.118 9.067 8.300 0.538 -0.326 0.476 112 K N -1.465 118.791 120.400 -0.240 0.000 2.074 112 K HA -0.535 nan 4.320 nan 0.000 0.209 112 K C 2.494 178.930 176.600 -0.275 0.000 1.048 112 K CA 3.785 59.872 56.287 -0.333 0.000 0.926 112 K CB -0.292 32.107 32.500 -0.169 0.000 0.713 112 K HN -0.183 8.060 8.250 -0.011 0.000 0.444 113 S N -0.116 115.455 115.700 -0.215 0.000 2.355 113 S HA -0.261 nan 4.470 nan 0.000 0.222 113 S C 1.928 176.407 174.600 -0.202 0.000 1.031 113 S CA 3.864 61.953 58.200 -0.184 0.000 0.993 113 S CB -0.272 62.819 63.200 -0.181 0.000 0.859 113 S HN -0.522 7.586 8.310 -0.181 0.094 0.453 114 L N 1.960 122.969 121.223 -0.357 0.000 2.012 114 L HA -0.375 nan 4.340 nan 0.000 0.210 114 L C 1.067 177.886 176.870 -0.085 0.000 1.073 114 L CA 3.420 58.117 54.840 -0.239 0.000 0.748 114 L CB -0.419 41.461 42.059 -0.298 0.000 0.891 114 L HN 0.183 8.112 8.230 -0.501 0.000 0.431 115 K N -1.214 119.054 120.400 -0.219 0.000 2.063 115 K HA -0.435 nan 4.320 nan 0.000 0.208 115 K C 2.345 178.871 176.600 -0.123 0.000 1.048 115 K CA 3.661 59.808 56.287 -0.233 0.000 0.928 115 K CB -0.316 31.840 32.500 -0.574 0.000 0.713 115 K HN -0.005 8.036 8.250 -0.348 0.000 0.442 116 E N -1.080 119.049 120.200 -0.118 0.000 2.107 116 E HA -0.283 nan 4.350 nan 0.000 0.191 116 E C 1.742 178.346 176.600 0.007 0.000 0.982 116 E CA 2.412 58.776 56.400 -0.059 0.000 0.809 116 E CB -0.127 29.535 29.700 -0.062 0.000 0.756 116 E HN -0.638 7.545 8.360 -0.168 0.077 0.459 117 Y N -0.890 119.361 120.300 -0.081 0.000 2.145 117 Y HA -0.361 nan 4.550 nan 0.000 0.286 117 Y C 2.578 178.467 175.900 -0.018 0.000 1.145 117 Y CA 3.531 61.606 58.100 -0.041 0.000 1.148 117 Y CB 0.434 38.873 38.460 -0.035 0.000 0.981 117 Y HN -0.135 8.035 8.280 0.123 0.184 0.507 118 V N -1.752 118.238 119.914 0.127 0.000 2.626 118 V HA -0.464 nan 4.120 nan 0.000 0.252 118 V C 1.670 177.765 176.094 0.001 0.000 1.067 118 V CA 3.470 65.815 62.300 0.075 0.000 1.081 118 V CB -1.246 30.636 31.823 0.099 0.000 0.686 118 V HN 0.062 8.340 8.190 0.147 0.000 0.468 119 S N -0.641 115.046 115.700 -0.022 0.000 2.547 119 S HA -0.214 nan 4.470 nan 0.000 0.235 119 S C 1.213 175.780 174.600 -0.055 0.000 0.980 119 S CA 2.523 60.703 58.200 -0.034 0.000 0.941 119 S CB -0.365 62.810 63.200 -0.041 0.000 0.763 119 S HN -0.341 7.823 8.310 -0.018 0.136 0.532 120 R N -0.423 120.016 120.500 -0.101 0.000 2.280 120 R HA 0.066 nan 4.340 nan 0.000 0.195 120 R C 0.847 177.091 176.300 -0.093 0.000 0.935 120 R CA -0.356 55.671 56.100 -0.121 0.000 1.033 120 R CB 0.209 30.379 30.300 -0.217 0.000 0.964 120 R HN -0.570 7.439 8.270 -0.126 0.185 0.489 121 G N 0.729 109.488 108.800 -0.068 0.000 2.323 121 G HA2 -0.439 nan 3.960 nan 0.000 0.292 121 G HA3 -0.439 nan 3.960 nan 0.000 0.292 121 G C -0.240 174.635 174.900 -0.042 0.000 1.040 121 G CA 0.659 45.740 45.100 -0.032 0.000 0.942 121 G HN -0.499 7.753 8.290 -0.064 0.000 0.506 122 L N -0.772 120.401 121.223 -0.084 0.000 2.483 122 L HA -0.134 nan 4.340 nan 0.000 0.276 122 L C 1.153 178.022 176.870 -0.001 0.000 1.213 122 L CA 0.138 54.939 54.840 -0.065 0.000 0.843 122 L CB 0.544 42.529 42.059 -0.124 0.000 1.107 122 L HN -0.088 8.064 8.230 -0.129 0.000 0.487 123 I N 3.467 124.057 120.570 0.034 0.000 2.301 123 I HA 0.012 nan 4.170 nan 0.000 0.292 123 I C -0.650 175.498 176.117 0.052 0.000 1.046 123 I CA -0.261 61.057 61.300 0.030 0.000 1.282 123 I CB -0.105 37.963 38.000 0.113 0.000 1.409 123 I HN 0.048 8.286 8.210 0.047 0.000 0.484 124 Q N 5.791 125.564 119.800 -0.045 0.000 2.296 124 Q HA 0.101 nan 4.340 nan 0.000 0.257 124 Q C -1.162 174.753 176.000 -0.143 0.000 0.942 124 Q CA -0.230 55.571 55.803 -0.005 0.000 0.939 124 Q CB 0.744 29.491 28.738 0.015 0.000 1.198 124 Q HN 0.401 8.623 8.270 -0.081 0.000 0.429 125 F N 2.555 122.516 119.950 0.019 0.000 2.688 125 F HA 0.073 nan 4.527 nan 0.000 0.310 125 F C -0.283 175.516 175.800 -0.002 0.000 1.098 125 F CA -0.242 57.761 58.000 0.005 0.000 1.228 125 F CB 1.023 40.025 39.000 0.003 0.000 1.042 125 F HN 0.441 8.935 8.300 0.323 0.000 0.557 126 D N -0.383 120.099 120.400 0.138 0.000 2.478 126 D HA 0.093 nan 4.640 nan 0.000 0.274 126 D C -0.900 175.408 176.300 0.014 0.000 1.234 126 D CA -1.439 52.605 54.000 0.074 0.000 1.069 126 D CB 1.439 42.275 40.800 0.060 0.000 1.113 126 D HN -0.604 7.771 8.370 0.121 0.067 0.571 127 C N -3.876 115.417 119.300 -0.012 0.000 2.349 127 C HA 0.549 nan 4.460 nan 0.000 0.361 127 C C -2.038 172.896 174.990 -0.093 0.000 1.189 127 C CA -3.473 55.516 59.018 -0.049 0.000 2.155 127 C CB -0.212 27.512 27.740 -0.027 0.000 2.336 127 C HN 0.020 8.248 8.230 -0.004 0.000 0.540 128 P HA -0.146 nan 4.420 nan 0.000 0.266 128 P C 0.528 177.712 177.300 -0.193 0.000 1.180 128 P CA 0.544 63.515 63.100 -0.216 0.000 0.765 128 P CB 0.411 31.794 31.700 -0.528 0.000 0.806 129 G N 2.177 110.930 108.800 -0.079 0.000 2.598 129 G HA2 -0.217 nan 3.960 nan 0.000 0.215 129 G HA3 -0.217 nan 3.960 nan 0.000 0.215 129 G C -0.170 174.758 174.900 0.048 0.000 1.131 129 G CA 1.156 46.247 45.100 -0.015 0.000 0.785 129 G HN 0.657 8.927 8.290 -0.035 0.000 0.539 130 H N -2.332 116.807 119.070 0.115 0.000 2.546 130 H HA -0.089 nan 4.556 nan 0.000 0.277 130 H C -0.199 175.213 175.328 0.139 0.000 1.004 130 H CA -1.474 54.661 56.048 0.145 0.000 1.231 130 H CB -1.254 28.576 29.762 0.113 0.000 1.382 130 H HN -0.532 7.687 8.280 -0.041 0.037 0.580 131 Q N 0.140 119.958 119.800 0.030 0.000 2.363 131 Q HA -0.560 nan 4.340 nan 0.000 0.294 131 Q C 0.550 176.670 176.000 0.199 0.000 1.219 131 Q CA 0.974 56.801 55.803 0.042 0.000 0.955 131 Q CB -2.049 26.651 28.738 -0.063 0.000 1.056 131 Q HN -0.607 7.487 8.270 -0.156 0.082 0.297 132 G N -0.225 108.787 108.800 0.353 0.000 2.176 132 G HA2 -0.381 nan 3.960 nan 0.000 0.253 132 G HA3 -0.381 nan 3.960 nan 0.000 0.253 132 G C -0.473 174.711 174.900 0.473 0.000 0.979 132 G CA -0.072 45.252 45.100 0.373 0.000 0.641 132 G HN 0.798 9.288 8.290 0.333 0.000 0.530 133 G N -1.122 108.035 108.800 0.594 0.000 2.143 133 G HA2 -0.410 nan 3.960 nan 0.000 0.249 133 G HA3 -0.410 nan 3.960 nan 0.000 0.249 133 G C 0.675 175.646 174.900 0.119 0.000 0.981 133 G CA 0.307 45.562 45.100 0.258 0.000 0.665 133 G HN -0.487 8.131 8.290 0.869 0.193 0.528 134 Q N -0.706 119.183 119.800 0.149 0.000 2.472 134 Q HA -0.092 nan 4.340 nan 0.000 0.208 134 Q C 0.657 176.703 176.000 0.077 0.000 0.958 134 Q CA 1.136 56.950 55.803 0.017 0.000 0.932 134 Q CB -0.434 28.315 28.738 0.019 0.000 1.007 134 Q HN -0.360 8.009 8.270 0.243 0.047 0.508 135 Y N 0.416 120.694 120.300 -0.037 0.000 2.231 135 Y HA -0.201 nan 4.550 nan 0.000 0.294 135 Y C 1.311 177.158 175.900 -0.089 0.000 1.120 135 Y CA 1.455 59.501 58.100 -0.090 0.000 1.141 135 Y CB 0.040 38.415 38.460 -0.141 0.000 1.022 135 Y HN -0.636 7.757 8.280 0.262 0.044 0.523 136 Y N -0.975 119.327 120.300 0.003 0.000 2.114 136 Y HA -0.431 nan 4.550 nan 0.000 0.282 136 Y C 1.914 177.754 175.900 -0.101 0.000 1.165 136 Y CA 4.156 62.188 58.100 -0.114 0.000 1.148 136 Y CB -0.434 37.965 38.460 -0.101 0.000 0.972 136 Y HN -0.035 8.262 8.280 0.028 0.000 0.504 137 R N -3.404 117.034 120.500 -0.103 0.000 2.339 137 R HA -0.201 nan 4.340 nan 0.000 0.199 137 R C 1.264 177.519 176.300 -0.076 0.000 1.018 137 R CA 1.283 57.242 56.100 -0.235 0.000 1.036 137 R CB -1.491 28.386 30.300 -0.705 0.000 0.899 137 R HN -0.582 7.576 8.270 -0.187 0.000 0.473 138 K N -2.399 118.021 120.400 0.033 0.000 2.393 138 K HA -0.043 nan 4.320 nan 0.000 0.193 138 K C 0.304 176.971 176.600 0.111 0.000 1.026 138 K CA 0.588 56.916 56.287 0.068 0.000 1.064 138 K CB 0.749 33.316 32.500 0.113 0.000 0.833 138 K HN -0.385 7.728 8.250 0.082 0.186 0.521 139 H N 0.317 119.406 119.070 0.032 0.000 2.572 139 H HA 0.344 nan 4.556 nan 0.000 0.359 139 H C -1.715 173.632 175.328 0.031 0.000 1.134 139 H CA -2.404 53.661 56.048 0.030 0.000 1.187 139 H CB 2.374 32.147 29.762 0.018 0.000 1.597 139 H HN -0.558 7.766 8.280 0.176 0.062 0.524 140 P HA -0.244 nan 4.420 nan 0.000 0.218 140 P C 0.088 177.410 177.300 0.037 0.000 1.148 140 P CA 2.512 65.519 63.100 -0.154 0.000 0.822 140 P CB 0.289 31.851 31.700 -0.232 0.000 0.784 141 A N -2.539 120.412 122.820 0.218 0.000 1.984 141 A HA -0.009 nan 4.320 nan 0.000 0.214 141 A C 1.979 179.716 177.584 0.255 0.000 1.173 141 A CA 2.618 54.796 52.037 0.235 0.000 0.673 141 A CB -0.632 18.513 19.000 0.242 0.000 0.830 141 A HN -0.543 7.812 8.150 0.377 0.021 0.453 142 G N -1.256 107.742 108.800 0.330 0.000 2.408 142 G HA2 -0.360 nan 3.960 nan 0.000 0.217 142 G HA3 -0.360 nan 3.960 nan 0.000 0.217 142 G C 1.165 176.244 174.900 0.298 0.000 1.150 142 G CA 1.827 47.141 45.100 0.357 0.000 0.776 142 G HN 0.203 8.705 8.290 0.477 0.074 0.542 143 R N 1.383 122.003 120.500 0.200 0.000 2.092 143 R HA -0.204 nan 4.340 nan 0.000 0.231 143 R C 2.081 178.499 176.300 0.196 0.000 1.119 143 R CA 2.512 58.703 56.100 0.152 0.000 0.970 143 R CB -0.457 29.886 30.300 0.070 0.000 0.864 143 R HN 0.397 8.665 8.270 0.182 0.111 0.440 144 E N -0.674 119.630 120.200 0.173 0.000 2.110 144 E HA -0.333 nan 4.350 nan 0.000 0.193 144 E C 2.490 179.220 176.600 0.216 0.000 0.988 144 E CA 3.207 59.696 56.400 0.148 0.000 0.804 144 E CB -0.316 29.439 29.700 0.092 0.000 0.745 144 E HN -0.681 7.772 8.360 0.155 0.000 0.458 145 F N 1.191 121.207 119.950 0.109 0.000 2.113 145 F HA -0.344 nan 4.527 nan 0.000 0.297 145 F C 1.342 177.304 175.800 0.271 0.000 1.103 145 F CA 3.173 61.276 58.000 0.172 0.000 1.248 145 F CB 0.259 39.278 39.000 0.031 0.000 0.999 145 F HN -0.608 7.904 8.300 0.367 0.008 0.475 146 Y N 0.217 120.546 120.300 0.048 0.000 2.181 146 Y HA -0.553 nan 4.550 nan 0.000 0.288 146 Y C 1.511 177.414 175.900 0.006 0.000 1.146 146 Y CA 3.850 61.853 58.100 -0.162 0.000 1.164 146 Y CB 0.149 38.447 38.460 -0.269 0.000 0.982 146 Y HN 0.322 8.645 8.280 0.361 0.173 0.515 147 D N -1.168 119.341 120.400 0.183 0.000 2.269 147 D HA -0.227 nan 4.640 nan 0.000 0.208 147 D C 1.352 177.651 176.300 -0.002 0.000 0.963 147 D CA 2.935 56.979 54.000 0.073 0.000 0.864 147 D CB -0.464 40.414 40.800 0.129 0.000 0.936 147 D HN -0.048 8.380 8.370 0.277 0.108 0.505 148 F N -1.078 118.756 119.950 -0.193 0.000 2.163 148 F HA -0.192 nan 4.527 nan 0.000 0.297 148 F C 0.685 176.143 175.800 -0.569 0.000 1.094 148 F CA 2.450 60.206 58.000 -0.406 0.000 1.290 148 F CB 0.572 39.249 39.000 -0.537 0.000 1.017 148 F HN -0.603 7.636 8.300 0.133 0.141 0.483 149 F N -4.533 115.219 119.950 -0.331 0.000 2.656 149 F HA 0.114 nan 4.527 nan 0.000 0.291 149 F C -0.111 175.522 175.800 -0.279 0.000 1.122 149 F CA 1.190 58.931 58.000 -0.432 0.000 1.427 149 F CB 1.151 39.817 39.000 -0.557 0.000 1.125 149 F HN -0.582 7.611 8.300 -0.178 0.000 0.583 150 G N -1.248 107.507 108.800 -0.075 0.000 2.690 150 G HA2 -0.290 nan 3.960 nan 0.000 0.686 150 G HA3 -0.290 nan 3.960 nan 0.000 0.686 150 G C -1.318 173.521 174.900 -0.100 0.000 1.277 150 G CA -0.746 44.267 45.100 -0.145 0.000 0.799 150 G HN -0.701 7.543 8.290 -0.077 0.000 0.613 151 E N 0.231 120.287 120.200 -0.241 0.000 2.160 151 E HA -0.318 nan 4.350 nan 0.000 0.195 151 E C 1.421 178.125 176.600 0.173 0.000 0.991 151 E CA 2.896 59.245 56.400 -0.086 0.000 0.810 151 E CB -0.066 29.628 29.700 -0.010 0.000 0.742 151 E HN 0.454 8.663 8.360 -0.252 0.000 0.466 152 T N 1.864 116.474 114.554 0.093 0.000 2.737 152 T HA -0.217 nan 4.350 nan 0.000 0.265 152 T C 1.884 176.636 174.700 0.087 0.000 1.038 152 T CA 3.809 65.969 62.100 0.101 0.000 1.144 152 T CB -0.707 68.203 68.868 0.069 0.000 0.866 152 T HN -0.040 8.223 8.240 0.037 0.000 0.434 153 V N 0.473 120.371 119.914 -0.027 0.000 2.688 153 V HA -0.257 nan 4.120 nan 0.000 0.256 153 V C 0.588 176.588 176.094 -0.156 0.000 1.084 153 V CA 2.783 64.988 62.300 -0.157 0.000 1.103 153 V CB -0.616 30.997 31.823 -0.350 0.000 0.688 153 V HN -0.050 8.117 8.190 -0.040 0.000 0.480 154 F N -3.991 116.032 119.950 0.122 0.000 2.262 154 F HA -0.004 nan 4.527 nan 0.000 0.292 154 F C 2.371 178.356 175.800 0.308 0.000 1.081 154 F CA 2.709 60.855 58.000 0.243 0.000 1.355 154 F CB 0.033 39.159 39.000 0.210 0.000 1.069 154 F HN -1.021 7.337 8.300 0.162 0.039 0.506 155 R N -0.460 120.276 120.500 0.394 0.000 2.105 155 R HA -0.279 nan 4.340 nan 0.000 0.239 155 R C 1.226 177.662 176.300 0.227 0.000 1.135 155 R CA 2.135 58.405 56.100 0.283 0.000 0.967 155 R CB -1.042 29.385 30.300 0.211 0.000 0.861 155 R HN -0.221 8.202 8.270 0.380 0.075 0.442 156 A N -3.169 119.768 122.820 0.196 0.000 2.379 156 A HA 0.100 nan 4.320 nan 0.000 0.236 156 A C -1.160 176.507 177.584 0.138 0.000 1.272 156 A CA -1.051 51.080 52.037 0.158 0.000 0.886 156 A CB 0.222 19.301 19.000 0.132 0.000 0.962 156 A HN -0.411 7.825 8.150 0.191 0.029 0.504 157 D N 0.369 120.891 120.400 0.204 0.000 2.441 157 D HA 0.116 nan 4.640 nan 0.000 0.221 157 D C -1.464 174.864 176.300 0.047 0.000 1.156 157 D CA -0.451 53.691 54.000 0.236 0.000 0.896 157 D CB -0.381 40.723 40.800 0.507 0.000 1.028 157 D HN -0.518 7.817 8.370 0.271 0.198 0.509 158 L N 0.646 121.740 121.223 -0.215 0.000 2.271 158 L HA 0.854 nan 4.340 nan 0.000 0.265 158 L C -1.419 174.988 176.870 -0.772 0.000 1.013 158 L CA -1.896 52.687 54.840 -0.429 0.000 0.820 158 L CB 3.969 45.773 42.059 -0.424 0.000 1.352 158 L HN -0.641 7.428 8.230 -0.269 0.000 0.443 159 C N -2.802 116.200 119.300 -0.496 0.000 3.307 159 C HA 0.399 nan 4.460 nan 0.000 0.350 159 C C 0.575 175.498 174.990 -0.113 0.000 1.549 159 C CA -2.577 56.249 59.018 -0.318 0.000 1.396 159 C CB 2.852 30.517 27.740 -0.125 0.000 1.970 159 C HN 0.556 8.887 8.230 -0.307 -0.284 0.441 160 N N 1.939 120.649 118.700 0.017 0.000 2.144 160 N HA -0.447 nan 4.740 nan 0.000 0.195 160 N C 0.918 176.457 175.510 0.048 0.000 1.006 160 N CA 2.984 56.074 53.050 0.067 0.000 0.880 160 N CB -0.777 37.743 38.487 0.055 0.000 1.018 160 N HN 0.532 8.924 8.380 0.020 0.000 0.443 161 A N -0.997 121.841 122.820 0.029 0.000 2.239 161 A HA -0.001 nan 4.320 nan 0.000 0.209 161 A C 0.083 177.704 177.584 0.062 0.000 1.171 161 A CA 0.793 52.858 52.037 0.047 0.000 0.768 161 A CB 0.203 19.233 19.000 0.051 0.000 0.790 161 A HN -0.651 7.490 8.150 0.013 0.018 0.478 162 D N 0.451 120.866 120.400 0.025 0.000 2.622 162 D HA 0.199 nan 4.640 nan 0.000 0.262 162 D C 0.509 176.780 176.300 -0.048 0.000 1.189 162 D CA -0.311 53.668 54.000 -0.035 0.000 0.985 162 D CB -0.948 39.735 40.800 -0.195 0.000 0.994 162 D HN -0.048 8.121 8.370 0.010 0.206 0.513 163 V N -2.399 117.535 119.914 0.033 0.000 2.568 163 V HA -0.250 nan 4.120 nan 0.000 0.253 163 V C 1.232 177.344 176.094 0.030 0.000 1.072 163 V CA 3.102 65.429 62.300 0.045 0.000 1.084 163 V CB -0.812 31.048 31.823 0.062 0.000 0.676 163 V HN -0.606 7.570 8.190 0.068 0.055 0.469 164 A N -0.030 122.803 122.820 0.022 0.000 2.076 164 A HA -0.106 nan 4.320 nan 0.000 0.220 164 A C 0.941 178.507 177.584 -0.030 0.000 1.160 164 A CA 2.373 54.437 52.037 0.044 0.000 0.653 164 A CB -0.428 18.701 19.000 0.216 0.000 0.801 164 A HN 0.075 8.218 8.150 0.044 0.034 0.455 165 L N -4.044 117.115 121.223 -0.106 0.000 2.685 165 L HA 0.156 nan 4.340 nan 0.000 0.233 165 L C 0.186 177.122 176.870 0.109 0.000 1.173 165 L CA -0.858 53.953 54.840 -0.048 0.000 0.961 165 L CB -2.088 39.900 42.059 -0.118 0.000 1.217 165 L HN -0.730 7.370 8.230 -0.156 0.037 0.478 166 G N 0.706 109.546 108.800 0.067 0.000 2.593 166 G HA2 -0.439 nan 3.960 nan 0.000 0.237 166 G HA3 -0.439 nan 3.960 nan 0.000 0.237 166 G C -2.090 172.839 174.900 0.047 0.000 1.312 166 G CA -0.112 45.027 45.100 0.066 0.000 0.896 166 G HN -0.006 8.096 8.290 0.040 0.212 0.574 167 D N 0.551 120.964 120.400 0.022 0.000 2.469 167 D HA 0.361 nan 4.640 nan 0.000 0.251 167 D C 0.405 176.673 176.300 -0.053 0.000 1.173 167 D CA -1.523 52.477 54.000 0.001 0.000 0.882 167 D CB 1.068 41.878 40.800 0.016 0.000 1.129 167 D HN -0.239 8.045 8.370 0.031 0.105 0.549 168 L N 3.955 125.107 121.223 -0.118 0.000 2.217 168 L HA -0.193 nan 4.340 nan 0.000 0.211 168 L C 1.455 178.268 176.870 -0.094 0.000 1.107 168 L CA 2.396 57.144 54.840 -0.154 0.000 0.783 168 L CB 0.116 41.963 42.059 -0.353 0.000 0.919 168 L HN 0.560 8.730 8.230 -0.100 0.000 0.442 169 L N -1.810 119.358 121.223 -0.091 0.000 2.022 169 L HA -0.224 nan 4.340 nan 0.000 0.204 169 L C 1.417 178.067 176.870 -0.368 0.000 1.076 169 L CA 3.043 57.835 54.840 -0.081 0.000 0.749 169 L CB 0.086 42.150 42.059 0.007 0.000 0.903 169 L HN -0.429 7.928 8.230 -0.054 -0.160 0.439 170 I N -8.156 112.290 120.570 -0.206 0.000 3.735 170 I HA 0.076 nan 4.170 nan 0.000 0.310 170 I C -0.701 175.409 176.117 -0.012 0.000 1.270 170 I CA 0.200 61.443 61.300 -0.096 0.000 1.207 170 I CB 0.542 38.563 38.000 0.035 0.000 1.013 170 I HN -0.757 7.593 8.210 -0.100 -0.200 0.452 171 H N -1.907 117.211 119.070 0.082 0.000 3.195 171 H HA -0.355 nan 4.556 nan 0.000 0.330 171 H C -1.558 173.779 175.328 0.016 0.000 1.015 171 H CA 1.321 57.387 56.048 0.030 0.000 1.043 171 H CB -2.756 27.001 29.762 -0.009 0.000 1.581 171 H HN -0.378 7.692 8.280 -0.357 -0.004 0.365 172 E N 0.755 121.012 120.200 0.094 0.000 2.356 172 E HA 0.253 nan 4.350 nan 0.000 0.275 172 E C -0.452 176.187 176.600 0.064 0.000 0.904 172 E CA -1.007 55.435 56.400 0.071 0.000 0.757 172 E CB 4.068 33.803 29.700 0.059 0.000 1.232 172 E HN -0.043 8.246 8.360 0.064 0.109 0.442 173 G N 2.506 111.342 108.800 0.059 0.000 2.531 173 G HA2 -0.362 nan 3.960 nan 0.000 0.274 173 G HA3 -0.362 nan 3.960 nan 0.000 0.274 173 G C -1.833 173.122 174.900 0.092 0.000 1.159 173 G CA 0.891 46.031 45.100 0.065 0.000 0.969 173 G HN 0.428 8.748 8.290 0.049 0.000 0.554 174 P HA -0.096 nan 4.420 nan 0.000 0.219 174 P C 0.439 177.942 177.300 0.337 0.000 1.150 174 P CA 2.518 65.760 63.100 0.237 0.000 0.814 174 P CB -0.025 31.818 31.700 0.239 0.000 0.787 175 A N -2.752 120.201 122.820 0.222 0.000 1.845 175 A HA -0.238 nan 4.320 nan 0.000 0.215 175 A C 1.940 179.579 177.584 0.092 0.000 1.195 175 A CA 3.363 55.419 52.037 0.032 0.000 0.616 175 A CB -0.869 18.042 19.000 -0.147 0.000 0.832 175 A HN -0.230 8.033 8.150 0.190 0.000 0.443 176 V N -1.005 118.954 119.914 0.075 0.000 2.427 176 V HA -0.303 nan 4.120 nan 0.000 0.248 176 V C 1.390 177.462 176.094 -0.038 0.000 1.051 176 V CA 2.287 64.588 62.300 0.001 0.000 1.048 176 V CB -0.873 30.961 31.823 0.018 0.000 0.666 176 V HN -0.495 7.746 8.190 0.084 0.000 0.456 177 A N -0.840 121.999 122.820 0.031 0.000 1.903 177 A HA -0.441 nan 4.320 nan 0.000 0.219 177 A C 1.794 179.409 177.584 0.051 0.000 1.191 177 A CA 3.517 55.578 52.037 0.041 0.000 0.638 177 A CB -0.983 18.062 19.000 0.077 0.000 0.823 177 A HN 0.047 8.235 8.150 0.063 0.000 0.451 178 A N -2.833 120.041 122.820 0.092 0.000 1.930 178 A HA -0.268 nan 4.320 nan 0.000 0.217 178 A C 2.333 179.854 177.584 -0.104 0.000 1.175 178 A CA 2.799 54.913 52.037 0.129 0.000 0.627 178 A CB -0.722 18.452 19.000 0.289 0.000 0.815 178 A HN -0.348 7.873 8.150 0.131 0.008 0.443 179 E N -1.473 118.487 120.200 -0.399 0.000 2.153 179 E HA -0.355 nan 4.350 nan 0.000 0.194 179 E C 2.619 179.005 176.600 -0.357 0.000 0.988 179 E CA 2.997 58.970 56.400 -0.712 0.000 0.811 179 E CB -0.095 29.161 29.700 -0.740 0.000 0.746 179 E HN -0.506 7.601 8.360 -0.284 0.082 0.466 180 K N -1.723 118.561 120.400 -0.195 0.000 2.167 180 K HA -0.246 nan 4.320 nan 0.000 0.203 180 K C 1.956 178.550 176.600 -0.011 0.000 1.052 180 K CA 3.115 59.334 56.287 -0.114 0.000 0.956 180 K CB -0.171 32.279 32.500 -0.083 0.000 0.735 180 K HN -0.112 7.925 8.250 -0.162 0.116 0.451 181 H N 0.725 119.768 119.070 -0.045 0.000 2.389 181 H HA -0.249 nan 4.556 nan 0.000 0.299 181 H C 1.445 176.806 175.328 0.055 0.000 1.081 181 H CA 3.398 59.452 56.048 0.010 0.000 1.345 181 H CB 0.652 30.437 29.762 0.039 0.000 1.393 181 H HN -0.595 7.673 8.280 0.122 0.085 0.520 182 A N -1.578 121.224 122.820 -0.030 0.000 1.902 182 A HA -0.362 nan 4.320 nan 0.000 0.217 182 A C 1.528 179.183 177.584 0.118 0.000 1.181 182 A CA 3.129 55.225 52.037 0.098 0.000 0.623 182 A CB -0.973 18.178 19.000 0.253 0.000 0.818 182 A HN -0.100 8.052 8.150 0.020 0.010 0.443 183 A N -1.826 121.006 122.820 0.020 0.000 1.877 183 A HA -0.290 nan 4.320 nan 0.000 0.216 183 A C 2.394 179.965 177.584 -0.021 0.000 1.186 183 A CA 2.982 55.020 52.037 0.002 0.000 0.620 183 A CB -0.733 18.234 19.000 -0.054 0.000 0.822 183 A HN -0.493 7.535 8.150 -0.035 0.101 0.443 184 R N -2.416 118.062 120.500 -0.037 0.000 2.073 184 R HA -0.216 nan 4.340 nan 0.000 0.234 184 R C 2.824 179.078 176.300 -0.076 0.000 1.134 184 R CA 1.470 57.547 56.100 -0.038 0.000 0.952 184 R CB -0.954 29.349 30.300 0.004 0.000 0.850 184 R HN -0.300 7.951 8.270 -0.032 0.000 0.433 185 V N -0.626 119.195 119.914 -0.154 0.000 2.407 185 V HA -0.224 nan 4.120 nan 0.000 0.248 185 V C 1.683 177.621 176.094 -0.260 0.000 1.055 185 V CA 3.432 65.593 62.300 -0.230 0.000 1.049 185 V CB -0.412 31.177 31.823 -0.390 0.000 0.662 185 V HN 0.199 8.164 8.190 -0.197 0.107 0.455 186 Y N -4.918 115.312 120.300 -0.117 0.000 2.457 186 Y HA 0.057 nan 4.550 nan 0.000 0.263 186 Y C -0.251 175.495 175.900 -0.256 0.000 1.164 186 Y CA -0.215 57.740 58.100 -0.241 0.000 1.274 186 Y CB 0.121 38.229 38.460 -0.587 0.000 1.097 186 Y HN -0.213 8.077 8.280 0.017 0.000 0.523 187 N N -1.957 116.703 118.700 -0.065 0.000 2.780 187 N HA -0.403 nan 4.740 nan 0.000 0.248 187 N C -1.501 173.973 175.510 -0.059 0.000 1.102 187 N CA 0.777 53.787 53.050 -0.067 0.000 0.697 187 N CB -0.639 37.798 38.487 -0.083 0.000 1.028 187 N HN -0.198 8.106 8.380 -0.057 0.043 0.554 188 A N -3.326 119.464 122.820 -0.051 0.000 2.352 188 A HA 0.471 nan 4.320 nan 0.000 0.299 188 A C -0.997 176.584 177.584 -0.006 0.000 1.160 188 A CA -1.047 50.979 52.037 -0.018 0.000 0.933 188 A CB 2.798 21.805 19.000 0.012 0.000 1.387 188 A HN -0.464 7.658 8.150 -0.047 0.000 0.487 189 D N -2.285 118.123 120.400 0.013 0.000 2.366 189 D HA 0.024 nan 4.640 nan 0.000 0.205 189 D C -0.389 175.882 176.300 -0.048 0.000 1.022 189 D CA 1.744 55.742 54.000 -0.004 0.000 0.868 189 D CB 1.494 42.312 40.800 0.031 0.000 0.953 189 D HN 0.136 8.421 8.370 0.037 0.107 0.514 190 K N -1.943 118.424 120.400 -0.055 0.000 2.583 190 K HA 0.315 nan 4.320 nan 0.000 0.260 190 K C -2.737 173.774 176.600 -0.149 0.000 0.931 190 K CA -0.507 55.659 56.287 -0.201 0.000 0.849 190 K CB 3.873 36.231 32.500 -0.238 0.000 1.347 190 K HN -0.675 7.577 8.250 0.003 0.000 0.425 191 T N 5.326 119.709 114.554 -0.286 0.000 2.807 191 T HA 0.633 nan 4.350 nan 0.000 0.279 191 T C -1.040 173.392 174.700 -0.448 0.000 0.993 191 T CA -0.428 61.592 62.100 -0.134 0.000 0.970 191 T CB 1.457 70.345 68.868 0.033 0.000 0.950 191 T HN 0.330 8.325 8.240 -0.409 0.000 0.441 192 Y N 4.235 124.454 120.300 -0.135 0.000 2.335 192 Y HA 0.187 nan 4.550 nan 0.000 0.338 192 Y C -0.885 175.102 175.900 0.146 0.000 0.977 192 Y CA -2.226 55.779 58.100 -0.158 0.000 1.114 192 Y CB 2.292 40.656 38.460 -0.160 0.000 1.182 192 Y HN 0.721 9.129 8.280 0.213 0.000 0.463 193 F N 4.029 124.043 119.950 0.107 0.000 2.444 193 F HA 0.256 nan 4.527 nan 0.000 0.360 193 F C -0.174 175.831 175.800 0.340 0.000 1.106 193 F CA -1.446 56.589 58.000 0.058 0.000 1.170 193 F CB -0.465 38.351 39.000 -0.306 0.000 1.113 193 F HN 0.241 9.021 8.300 0.196 -0.362 0.521 194 V N 6.483 126.622 119.914 0.375 0.000 2.384 194 V HA 0.333 nan 4.120 nan 0.000 0.287 194 V C -0.890 175.283 176.094 0.132 0.000 1.020 194 V CA -1.047 61.430 62.300 0.294 0.000 0.850 194 V CB 1.144 33.109 31.823 0.238 0.000 0.987 194 V HN 1.031 9.360 8.190 0.231 0.000 0.436 195 L N 5.512 126.814 121.223 0.132 0.000 2.848 195 L HA 0.331 nan 4.340 nan 0.000 0.240 195 L C -0.026 176.884 176.870 0.066 0.000 1.232 195 L CA -0.336 54.569 54.840 0.107 0.000 1.031 195 L CB -0.774 41.394 42.059 0.181 0.000 1.338 195 L HN -0.011 8.308 8.230 0.149 0.000 0.509 196 G N -2.812 106.009 108.800 0.035 0.000 3.839 196 G HA2 0.203 nan 3.960 nan 0.000 0.286 196 G HA3 0.203 nan 3.960 nan 0.000 0.286 196 G C -0.652 174.243 174.900 -0.008 0.000 1.005 196 G CA -0.688 44.419 45.100 0.011 0.000 0.824 196 G HN -0.108 8.128 8.290 0.039 0.077 0.489 197 G N -0.245 108.553 108.800 -0.004 0.000 2.716 197 G HA2 -0.383 nan 3.960 nan 0.000 0.686 197 G HA3 -0.383 nan 3.960 nan 0.000 0.686 197 G C 0.511 175.397 174.900 -0.024 0.000 1.337 197 G CA -0.438 44.662 45.100 0.000 0.000 0.829 197 G HN -0.416 7.821 8.290 0.012 0.060 0.599 198 S N 1.781 117.453 115.700 -0.047 0.000 2.493 198 S HA -0.378 nan 4.470 nan 0.000 0.243 198 S C 1.728 176.247 174.600 -0.134 0.000 0.991 198 S CA 3.599 61.730 58.200 -0.115 0.000 0.957 198 S CB -0.306 62.774 63.200 -0.199 0.000 0.756 198 S HN 0.502 8.810 8.310 -0.003 0.000 0.521 199 S N 2.910 118.543 115.700 -0.111 0.000 2.344 199 S HA -0.283 nan 4.470 nan 0.000 0.217 199 S C 1.888 176.412 174.600 -0.127 0.000 1.033 199 S CA 4.186 62.336 58.200 -0.083 0.000 1.017 199 S CB -0.665 62.526 63.200 -0.014 0.000 0.941 199 S HN 0.369 8.579 8.310 -0.087 0.048 0.430 200 N N 1.243 119.868 118.700 -0.124 0.000 2.381 200 N HA -0.199 nan 4.740 nan 0.000 0.182 200 N C 1.698 177.078 175.510 -0.217 0.000 1.025 200 N CA 2.539 55.461 53.050 -0.215 0.000 0.888 200 N CB -0.157 38.268 38.487 -0.104 0.000 0.965 200 N HN -0.589 7.745 8.380 -0.076 0.000 0.438 201 A N 0.417 123.169 122.820 -0.113 0.000 1.877 201 A HA -0.310 nan 4.320 nan 0.000 0.216 201 A C 1.711 179.233 177.584 -0.105 0.000 1.186 201 A CA 3.251 55.253 52.037 -0.059 0.000 0.620 201 A CB -0.610 18.372 19.000 -0.030 0.000 0.822 201 A HN 0.116 8.090 8.150 -0.092 0.121 0.443 202 N N -1.231 117.389 118.700 -0.133 0.000 2.120 202 N HA -0.421 nan 4.740 nan 0.000 0.188 202 N C 2.200 177.592 175.510 -0.196 0.000 1.024 202 N CA 3.270 56.246 53.050 -0.124 0.000 0.852 202 N CB -0.181 38.249 38.487 -0.094 0.000 1.003 202 N HN 0.063 8.258 8.380 -0.134 0.104 0.424 203 N N -0.678 117.802 118.700 -0.366 0.000 2.205 203 N HA -0.220 nan 4.740 nan 0.000 0.186 203 N C 1.919 177.101 175.510 -0.546 0.000 1.015 203 N CA 3.143 55.794 53.050 -0.665 0.000 0.862 203 N CB -0.339 37.242 38.487 -1.510 0.000 0.986 203 N HN -0.249 7.846 8.380 -0.353 0.073 0.429 204 T N 3.382 117.725 114.554 -0.352 0.000 2.770 204 T HA -0.194 nan 4.350 nan 0.000 0.263 204 T C 1.769 176.282 174.700 -0.312 0.000 1.039 204 T CA 3.910 65.910 62.100 -0.167 0.000 1.142 204 T CB -0.132 68.669 68.868 -0.111 0.000 0.868 204 T HN -0.558 7.347 8.240 -0.338 0.133 0.435 205 V N 0.936 120.738 119.914 -0.187 0.000 2.220 205 V HA -0.442 nan 4.120 nan 0.000 0.246 205 V C 1.852 177.900 176.094 -0.077 0.000 1.049 205 V CA 4.555 66.819 62.300 -0.059 0.000 1.003 205 V CB -1.078 30.772 31.823 0.045 0.000 0.634 205 V HN -0.280 7.755 8.190 -0.132 0.075 0.444 206 T N -3.155 111.363 114.554 -0.059 0.000 2.684 206 T HA -0.376 nan 4.350 nan 0.000 0.267 206 T C 2.136 176.825 174.700 -0.019 0.000 1.036 206 T CA 4.424 66.510 62.100 -0.025 0.000 1.148 206 T CB -0.604 68.263 68.868 -0.002 0.000 0.863 206 T HN 0.043 8.241 8.240 -0.070 0.000 0.436 207 S N 2.148 117.838 115.700 -0.016 0.000 2.500 207 S HA -0.240 nan 4.470 nan 0.000 0.239 207 S C 1.192 175.781 174.600 -0.018 0.000 0.989 207 S CA 2.817 61.043 58.200 0.043 0.000 0.951 207 S CB -0.474 62.850 63.200 0.208 0.000 0.759 207 S HN -0.409 7.874 8.310 -0.045 0.000 0.523 208 A N 1.399 124.154 122.820 -0.108 0.000 1.920 208 A HA 0.043 nan 4.320 nan 0.000 0.209 208 A C 0.635 178.183 177.584 -0.060 0.000 1.229 208 A CA 2.032 53.984 52.037 -0.142 0.000 0.671 208 A CB -0.126 18.647 19.000 -0.378 0.000 0.886 208 A HN -0.496 7.390 8.150 -0.136 0.182 0.461 209 L N -2.515 118.668 121.223 -0.067 0.000 2.004 209 L HA 0.007 nan 4.340 nan 0.000 0.205 209 L C 1.478 178.351 176.870 0.005 0.000 1.089 209 L CA 1.550 56.358 54.840 -0.054 0.000 0.756 209 L CB -0.078 41.919 42.059 -0.104 0.000 0.900 209 L HN -0.639 7.544 8.230 -0.078 0.000 0.440 210 V N 0.111 120.037 119.914 0.020 0.000 2.539 210 V HA -0.243 nan 4.120 nan 0.000 0.300 210 V C -0.244 175.873 176.094 0.039 0.000 1.019 210 V CA 0.894 63.220 62.300 0.043 0.000 1.160 210 V CB -1.311 30.541 31.823 0.049 0.000 0.901 210 V HN -0.565 7.629 8.190 0.007 0.000 0.481 211 S N 7.883 123.608 115.700 0.042 0.000 2.690 211 S HA 0.175 nan 4.470 nan 0.000 0.291 211 S C -1.329 173.278 174.600 0.011 0.000 1.138 211 S CA -1.186 57.031 58.200 0.029 0.000 1.013 211 S CB 2.202 65.421 63.200 0.033 0.000 1.053 211 S HN 0.107 8.691 8.310 0.054 -0.242 0.539 212 N N -0.138 118.550 118.700 -0.021 0.000 2.412 212 N HA -0.271 nan 4.740 nan 0.000 0.258 212 N C 0.454 175.923 175.510 -0.068 0.000 1.236 212 N CA 1.412 54.412 53.050 -0.084 0.000 0.882 212 N CB -0.084 38.309 38.487 -0.157 0.000 1.066 212 N HN -0.099 8.271 8.380 -0.015 0.000 0.465 213 G N 5.594 114.345 108.800 -0.082 0.000 2.160 213 G HA2 -0.590 nan 3.960 nan 0.000 0.251 213 G HA3 -0.590 nan 3.960 nan 0.000 0.251 213 G C -1.242 173.658 174.900 0.000 0.000 1.008 213 G CA 0.250 45.321 45.100 -0.049 0.000 0.724 213 G HN 0.734 8.958 8.290 -0.111 0.000 0.514 214 D N -0.936 119.477 120.400 0.021 0.000 2.253 214 D HA 0.276 nan 4.640 nan 0.000 0.249 214 D C -0.919 175.417 176.300 0.060 0.000 1.049 214 D CA -0.571 53.468 54.000 0.064 0.000 0.929 214 D CB 1.933 42.784 40.800 0.085 0.000 1.176 214 D HN -0.712 7.633 8.370 0.008 0.030 0.437 215 L N 1.217 122.490 121.223 0.084 0.000 2.295 215 L HA 0.244 nan 4.340 nan 0.000 0.288 215 L C -0.907 176.124 176.870 0.268 0.000 1.079 215 L CA -0.229 54.685 54.840 0.122 0.000 0.830 215 L CB 0.124 42.188 42.059 0.007 0.000 1.200 215 L HN 0.449 8.738 8.230 0.100 0.000 0.438 216 V N 5.803 125.821 119.914 0.174 0.000 2.348 216 V HA 0.198 nan 4.120 nan 0.000 0.270 216 V C -0.778 175.368 176.094 0.087 0.000 1.037 216 V CA -1.328 61.060 62.300 0.147 0.000 0.872 216 V CB -0.203 31.691 31.823 0.118 0.000 1.002 216 V HN 0.634 8.764 8.190 0.091 0.114 0.464 217 L N 9.050 130.200 121.223 -0.120 0.000 2.485 217 L HA 0.123 nan 4.340 nan 0.000 0.279 217 L C -2.016 174.755 176.870 -0.164 0.000 1.124 217 L CA -0.226 54.383 54.840 -0.385 0.000 0.888 217 L CB 0.158 41.699 42.059 -0.864 0.000 1.217 217 L HN 0.295 8.461 8.230 -0.105 0.000 0.464 218 F N 8.837 128.601 119.950 -0.310 0.000 2.371 218 F HA 0.233 nan 4.527 nan 0.000 0.363 218 F C -1.582 174.173 175.800 -0.075 0.000 1.122 218 F CA -1.595 56.226 58.000 -0.299 0.000 1.129 218 F CB 1.744 40.348 39.000 -0.660 0.000 1.173 218 F HN 0.693 8.852 8.300 -0.051 0.111 0.489 219 D N 5.975 126.142 120.400 -0.388 0.000 2.371 219 D HA -0.085 nan 4.640 nan 0.000 0.256 219 D C 0.798 177.123 176.300 0.043 0.000 1.193 219 D CA -0.161 53.786 54.000 -0.088 0.000 0.881 219 D CB 1.156 41.880 40.800 -0.126 0.000 1.143 219 D HN -0.204 7.744 8.370 -0.703 0.000 0.473 220 R N 7.095 127.785 120.500 0.317 0.000 2.328 220 R HA -0.217 nan 4.340 nan 0.000 0.207 220 R C 1.276 177.890 176.300 0.524 0.000 1.056 220 R CA 1.626 58.026 56.100 0.500 0.000 1.016 220 R CB -0.048 30.515 30.300 0.439 0.000 0.872 220 R HN -0.027 8.440 8.270 0.328 0.000 0.471 221 N N -2.054 116.814 118.700 0.281 0.000 2.412 221 N HA -0.085 nan 4.740 nan 0.000 0.184 221 N C -0.010 175.611 175.510 0.185 0.000 1.101 221 N CA 0.122 53.261 53.050 0.148 0.000 0.881 221 N CB 0.059 38.566 38.487 0.032 0.000 0.969 221 N HN -0.597 8.102 8.380 0.208 -0.194 0.459 222 N N -0.225 118.594 118.700 0.199 0.000 2.356 222 N HA -0.229 nan 4.740 nan 0.000 0.252 222 N C -0.952 174.731 175.510 0.289 0.000 1.241 222 N CA 0.930 54.076 53.050 0.160 0.000 0.861 222 N CB 0.582 38.981 38.487 -0.147 0.000 1.075 222 N HN -0.528 7.790 8.380 0.177 0.168 0.461 223 H N 4.069 123.187 119.070 0.079 0.000 2.871 223 H HA -0.106 nan 4.556 nan 0.000 0.355 223 H C 1.351 176.666 175.328 -0.022 0.000 1.092 223 H CA 1.176 57.231 56.048 0.013 0.000 1.420 223 H CB 2.011 31.774 29.762 0.002 0.000 1.400 223 H HN 0.286 8.708 8.280 0.236 0.000 0.604 224 K N 4.987 125.035 120.400 -0.586 0.000 2.173 224 K HA -0.506 nan 4.320 nan 0.000 0.207 224 K C 1.690 178.265 176.600 -0.042 0.000 1.046 224 K CA 3.543 59.480 56.287 -0.583 0.000 0.929 224 K CB -0.527 31.580 32.500 -0.656 0.000 0.720 224 K HN 0.652 8.314 8.250 -0.980 0.000 0.453 225 S N -0.765 115.061 115.700 0.209 0.000 2.400 225 S HA -0.294 nan 4.470 nan 0.000 0.232 225 S C 1.970 176.664 174.600 0.157 0.000 1.025 225 S CA 3.236 61.565 58.200 0.215 0.000 0.993 225 S CB -0.167 63.173 63.200 0.234 0.000 0.808 225 S HN -0.325 8.233 8.310 0.459 0.027 0.478 226 V N 2.256 122.295 119.914 0.209 0.000 2.379 226 V HA -0.240 nan 4.120 nan 0.000 0.243 226 V C 1.795 178.109 176.094 0.367 0.000 1.035 226 V CA 4.048 66.472 62.300 0.206 0.000 1.035 226 V CB -1.064 30.811 31.823 0.086 0.000 0.673 226 V HN 0.159 8.361 8.190 0.252 0.139 0.457 227 Y N -0.427 120.091 120.300 0.363 0.000 2.040 227 Y HA -0.610 nan 4.550 nan 0.000 0.275 227 Y C 2.284 178.283 175.900 0.164 0.000 1.171 227 Y CA 4.622 62.906 58.100 0.305 0.000 1.123 227 Y CB -0.780 37.863 38.460 0.305 0.000 0.963 227 Y HN -0.737 7.923 8.280 0.634 0.000 0.493 228 N N -2.907 115.995 118.700 0.337 0.000 2.069 228 N HA -0.364 nan 4.740 nan 0.000 0.191 228 N C 2.421 178.006 175.510 0.125 0.000 1.031 228 N CA 3.144 56.318 53.050 0.208 0.000 0.852 228 N CB -0.489 38.103 38.487 0.175 0.000 1.018 228 N HN -0.131 8.467 8.380 0.363 0.000 0.423 229 S N -0.258 115.501 115.700 0.099 0.000 2.377 229 S HA -0.136 nan 4.470 nan 0.000 0.223 229 S C 1.843 176.482 174.600 0.065 0.000 1.030 229 S CA 3.601 61.830 58.200 0.047 0.000 0.970 229 S CB 0.065 63.243 63.200 -0.038 0.000 0.830 229 S HN -0.575 7.805 8.310 0.117 0.000 0.473 230 A N 1.612 124.483 122.820 0.086 0.000 1.898 230 A HA -0.052 nan 4.320 nan 0.000 0.214 230 A C 1.759 179.362 177.584 0.031 0.000 1.183 230 A CA 2.916 55.001 52.037 0.080 0.000 0.622 230 A CB -0.219 18.878 19.000 0.162 0.000 0.824 230 A HN 0.056 8.277 8.150 0.118 0.000 0.444 231 L N -2.879 118.329 121.223 -0.025 0.000 2.187 231 L HA -0.068 nan 4.340 nan 0.000 0.197 231 L C 2.598 179.497 176.870 0.048 0.000 1.090 231 L CA 2.386 57.181 54.840 -0.074 0.000 0.781 231 L CB 0.134 42.035 42.059 -0.263 0.000 0.956 231 L HN -0.155 8.079 8.230 0.007 0.000 0.463 232 A N -1.807 121.054 122.820 0.069 0.000 2.015 232 A HA -0.222 nan 4.320 nan 0.000 0.219 232 A C 1.378 178.997 177.584 0.058 0.000 1.163 232 A CA 2.750 54.825 52.037 0.064 0.000 0.646 232 A CB -0.418 18.617 19.000 0.058 0.000 0.806 232 A HN -0.383 7.813 8.150 0.077 0.000 0.448 233 M N -2.880 116.781 119.600 0.101 0.000 2.351 233 M HA -0.078 nan 4.480 nan 0.000 0.250 233 M C 1.809 178.238 176.300 0.215 0.000 1.145 233 M CA 2.249 57.621 55.300 0.121 0.000 1.192 233 M CB 1.015 33.678 32.600 0.107 0.000 1.267 233 M HN -0.208 8.114 8.290 0.099 0.027 0.467 234 A N -3.750 119.168 122.820 0.164 0.000 2.121 234 A HA -0.073 nan 4.320 nan 0.000 0.218 234 A C 0.558 178.229 177.584 0.145 0.000 1.154 234 A CA 0.600 52.721 52.037 0.140 0.000 0.679 234 A CB 0.015 19.065 19.000 0.084 0.000 0.795 234 A HN -0.166 7.949 8.150 0.123 0.108 0.458 235 G N -1.850 107.086 108.800 0.228 0.000 2.289 235 G HA2 -0.382 nan 3.960 nan 0.000 0.280 235 G HA3 -0.382 nan 3.960 nan 0.000 0.280 235 G C -0.548 174.363 174.900 0.019 0.000 1.089 235 G CA -0.253 44.944 45.100 0.161 0.000 0.939 235 G HN -0.638 7.745 8.290 0.239 0.051 0.499 236 G N -0.981 107.833 108.800 0.024 0.000 2.547 236 G HA2 0.554 nan 3.960 nan 0.000 0.291 236 G HA3 0.554 nan 3.960 nan 0.000 0.291 236 G C -2.326 172.549 174.900 -0.043 0.000 1.211 236 G CA -1.133 43.963 45.100 -0.007 0.000 0.950 236 G HN -0.364 7.950 8.290 0.041 0.000 0.504 237 R N -1.152 119.323 120.500 -0.042 0.000 2.337 237 R HA 0.468 nan 4.340 nan 0.000 0.319 237 R C -1.895 174.350 176.300 -0.093 0.000 0.954 237 R CA -3.374 52.690 56.100 -0.059 0.000 0.840 237 R CB 2.064 32.348 30.300 -0.027 0.000 1.164 237 R HN 0.227 8.491 8.270 -0.010 0.000 0.472 238 P HA 0.480 nan 4.420 nan 0.000 0.276 238 P C -0.939 176.209 177.300 -0.254 0.000 1.244 238 P CA -0.631 62.218 63.100 -0.419 0.000 0.801 238 P CB 1.024 32.090 31.700 -1.057 0.000 1.006 239 V N 0.267 120.072 119.914 -0.182 0.000 2.445 239 V HA 0.344 nan 4.120 nan 0.000 0.283 239 V C -0.781 175.322 176.094 0.015 0.000 1.014 239 V CA -0.266 62.056 62.300 0.038 0.000 0.852 239 V CB 0.725 32.691 31.823 0.240 0.000 1.021 239 V HN 0.211 8.298 8.190 -0.171 0.000 0.435 240 Y N 5.804 126.255 120.300 0.250 0.000 2.357 240 Y HA 0.350 nan 4.550 nan 0.000 0.340 240 Y C 0.180 176.281 175.900 0.334 0.000 1.260 240 Y CA 0.101 58.386 58.100 0.308 0.000 1.425 240 Y CB 0.952 39.601 38.460 0.315 0.000 1.326 240 Y HN -0.035 8.495 8.280 0.416 0.000 0.580 241 L N -0.412 121.113 121.223 0.504 0.000 2.409 241 L HA 0.341 nan 4.340 nan 0.000 0.272 241 L C -1.381 175.788 176.870 0.498 0.000 0.980 241 L CA -1.520 53.551 54.840 0.384 0.000 0.826 241 L CB 2.026 44.244 42.059 0.265 0.000 1.268 241 L HN -0.020 8.524 8.230 0.524 0.000 0.407 242 Q N 1.153 121.240 119.800 0.478 0.000 2.454 242 Q HA 0.155 nan 4.340 nan 0.000 0.247 242 Q C -0.253 176.091 176.000 0.574 0.000 1.028 242 Q CA -0.299 55.854 55.803 0.584 0.000 0.910 242 Q CB 0.579 29.470 28.738 0.254 0.000 1.276 242 Q HN -0.124 8.504 8.270 0.314 -0.170 0.489 243 T N 0.643 115.549 114.554 0.586 0.000 2.887 243 T HA 0.339 nan 4.350 nan 0.000 0.288 243 T C -0.762 174.078 174.700 0.234 0.000 1.021 243 T CA -0.882 61.428 62.100 0.350 0.000 1.000 243 T CB 1.632 70.624 68.868 0.205 0.000 1.034 243 T HN 0.604 9.119 8.240 0.658 0.120 0.467 244 N N 4.005 122.592 118.700 -0.189 0.000 2.470 244 N HA 0.055 nan 4.740 nan 0.000 0.268 244 N C -1.885 173.543 175.510 -0.137 0.000 1.136 244 N CA 1.311 54.141 53.050 -0.368 0.000 0.961 244 N CB 1.359 39.383 38.487 -0.771 0.000 1.067 244 N HN 0.080 8.309 8.380 -0.252 0.000 0.468 245 R N 2.790 123.308 120.500 0.030 0.000 2.922 245 R HA 0.364 nan 4.340 nan 0.000 0.256 245 R C -2.746 173.582 176.300 0.046 0.000 1.138 245 R CA -1.602 54.552 56.100 0.090 0.000 0.995 245 R CB 4.263 34.606 30.300 0.071 0.000 1.226 245 R HN 0.348 8.643 8.270 0.042 0.000 0.481 246 N N -3.759 114.893 118.700 -0.081 0.000 3.106 246 N HA 0.348 nan 4.740 nan 0.000 0.253 246 N C -1.725 173.494 175.510 -0.485 0.000 1.506 246 N CA -1.362 51.515 53.050 -0.288 0.000 0.876 246 N CB 0.990 39.173 38.487 -0.507 0.000 1.452 246 N HN -0.149 8.194 8.380 -0.062 0.000 0.542 247 P HA -0.210 nan 4.420 nan 0.000 0.220 247 P C -1.237 175.277 177.300 -1.310 0.000 1.144 247 P CA 2.394 64.498 63.100 -1.660 0.000 0.800 247 P CB 0.013 30.677 31.700 -1.727 0.000 0.772 248 Y N -7.042 112.716 120.300 -0.904 0.000 2.511 248 Y HA -0.074 nan 4.550 nan 0.000 0.279 248 Y C 0.784 176.258 175.900 -0.709 0.000 1.157 248 Y CA 0.557 58.067 58.100 -0.984 0.000 1.300 248 Y CB 0.076 37.479 38.460 -1.763 0.000 1.052 248 Y HN -0.432 7.322 8.280 -0.831 0.027 0.529 249 G N -2.182 106.409 108.800 -0.350 0.000 2.179 249 G HA2 -0.429 nan 3.960 nan 0.000 0.260 249 G HA3 -0.429 nan 3.960 nan 0.000 0.260 249 G C -0.781 174.112 174.900 -0.011 0.000 0.977 249 G CA 0.106 45.132 45.100 -0.123 0.000 0.641 249 G HN 0.073 7.902 8.290 -0.419 0.210 0.533 250 F N -0.722 119.141 119.950 -0.145 0.000 2.623 250 F HA -0.242 nan 4.527 nan 0.000 0.386 250 F C 0.472 176.239 175.800 -0.054 0.000 1.068 250 F CA -1.317 56.602 58.000 -0.135 0.000 1.265 250 F CB -0.041 38.841 39.000 -0.196 0.000 1.026 250 F HN -0.605 7.442 8.300 -0.268 0.093 0.568 251 I N 6.229 126.840 120.570 0.067 0.000 2.406 251 I HA -0.120 nan 4.170 nan 0.000 0.293 251 I C -0.642 175.428 176.117 -0.078 0.000 1.101 251 I CA 0.445 61.700 61.300 -0.075 0.000 1.334 251 I CB -1.047 36.887 38.000 -0.110 0.000 1.421 251 I HN 0.072 8.627 8.210 0.032 -0.326 0.513 252 G N 5.449 114.130 108.800 -0.199 0.000 2.642 252 G HA2 0.463 nan 3.960 nan 0.000 0.291 252 G HA3 0.463 nan 3.960 nan 0.000 0.291 252 G C -1.206 173.449 174.900 -0.407 0.000 1.345 252 G CA -1.710 43.063 45.100 -0.544 0.000 1.043 252 G HN -0.210 7.973 8.290 -0.179 0.000 0.528 253 G N -2.570 105.818 108.800 -0.687 0.000 2.525 253 G HA2 0.525 nan 3.960 nan 0.000 0.287 253 G HA3 0.525 nan 3.960 nan 0.000 0.287 253 G C -1.132 173.547 174.900 -0.369 0.000 1.350 253 G CA -1.746 42.965 45.100 -0.648 0.000 1.039 253 G HN 0.181 7.927 8.290 -0.907 0.000 0.513 254 I N -0.149 120.358 120.570 -0.106 0.000 2.634 254 I HA -0.082 nan 4.170 nan 0.000 0.284 254 I C 0.152 176.120 176.117 -0.247 0.000 1.124 254 I CA 0.522 61.797 61.300 -0.041 0.000 1.417 254 I CB 0.357 38.426 38.000 0.114 0.000 1.396 254 I HN -0.437 7.779 8.210 0.010 0.000 0.571 255 Y N 7.363 127.547 120.300 -0.192 0.000 2.804 255 Y HA -0.481 nan 4.550 nan 0.000 0.338 255 Y C 1.181 176.873 175.900 -0.346 0.000 1.252 255 Y CA 2.463 60.467 58.100 -0.159 0.000 1.576 255 Y CB -0.875 37.531 38.460 -0.089 0.000 1.223 255 Y HN -0.298 8.075 8.280 0.156 0.000 0.536 256 D N 6.810 127.164 120.400 -0.076 0.000 2.242 256 D HA -0.533 nan 4.640 nan 0.000 0.190 256 D C 1.803 178.077 176.300 -0.043 0.000 1.012 256 D CA 3.777 57.749 54.000 -0.046 0.000 0.875 256 D CB -0.102 40.759 40.800 0.102 0.000 0.922 256 D HN 0.427 8.709 8.370 0.006 0.091 0.448 257 S N -1.618 114.111 115.700 0.049 0.000 2.356 257 S HA -0.283 nan 4.470 nan 0.000 0.223 257 S C 1.640 176.262 174.600 0.036 0.000 1.032 257 S CA 2.613 60.852 58.200 0.064 0.000 1.005 257 S CB -0.123 63.119 63.200 0.070 0.000 0.867 257 S HN 0.011 8.391 8.310 0.130 0.008 0.449 258 D N 0.143 120.519 120.400 -0.041 0.000 2.332 258 D HA -0.227 nan 4.640 nan 0.000 0.209 258 D C 1.230 177.608 176.300 0.130 0.000 0.988 258 D CA 2.471 56.466 54.000 -0.009 0.000 0.912 258 D CB 0.133 40.907 40.800 -0.045 0.000 0.899 258 D HN -0.363 7.902 8.370 -0.032 0.086 0.477 259 F N -1.517 118.506 119.950 0.122 0.000 2.913 259 F HA 0.084 nan 4.527 nan 0.000 0.306 259 F C -1.600 174.252 175.800 0.087 0.000 1.205 259 F CA -2.935 55.124 58.000 0.098 0.000 1.359 259 F CB -2.016 37.037 39.000 0.088 0.000 1.260 259 F HN -0.857 7.353 8.300 -0.025 0.075 0.545 260 D N -0.154 120.396 120.400 0.249 0.000 2.425 260 D HA 0.128 nan 4.640 nan 0.000 0.240 260 D C 0.296 176.688 176.300 0.154 0.000 1.080 260 D CA -2.165 51.940 54.000 0.174 0.000 0.836 260 D CB 2.197 43.074 40.800 0.128 0.000 1.125 260 D HN -0.796 7.627 8.370 0.227 0.083 0.525 261 E N 7.184 127.469 120.200 0.141 0.000 2.095 261 E HA -0.531 nan 4.350 nan 0.000 0.212 261 E C 1.669 178.338 176.600 0.115 0.000 1.044 261 E CA 3.976 60.455 56.400 0.132 0.000 0.857 261 E CB 0.109 29.875 29.700 0.108 0.000 0.764 261 E HN 0.640 9.082 8.360 0.137 0.000 0.462 262 K N -2.352 118.102 120.400 0.090 0.000 2.009 262 K HA -0.356 nan 4.320 nan 0.000 0.210 262 K C 2.197 178.842 176.600 0.074 0.000 1.049 262 K CA 3.450 59.779 56.287 0.070 0.000 0.929 262 K CB -0.255 32.279 32.500 0.056 0.000 0.714 262 K HN -0.676 7.813 8.250 0.088 -0.186 0.440 263 K N -0.639 119.811 120.400 0.084 0.000 1.978 263 K HA -0.215 nan 4.320 nan 0.000 0.214 263 K C 2.035 178.699 176.600 0.106 0.000 1.049 263 K CA 2.366 58.702 56.287 0.081 0.000 0.939 263 K CB -1.006 31.543 32.500 0.081 0.000 0.721 263 K HN -0.862 7.536 8.250 0.090 -0.094 0.441 264 I N -0.555 120.103 120.570 0.147 0.000 2.147 264 I HA -0.640 nan 4.170 nan 0.000 0.245 264 I C 2.516 178.756 176.117 0.205 0.000 1.059 264 I CA 3.734 65.156 61.300 0.204 0.000 1.320 264 I CB -0.244 37.907 38.000 0.251 0.000 1.021 264 I HN 0.304 8.503 8.210 0.149 0.100 0.415 265 R N -2.737 117.846 120.500 0.138 0.000 2.066 265 R HA -0.398 nan 4.340 nan 0.000 0.232 265 R C 2.522 178.840 176.300 0.031 0.000 1.131 265 R CA 3.384 59.520 56.100 0.060 0.000 0.955 265 R CB -0.357 29.962 30.300 0.031 0.000 0.851 265 R HN -0.598 7.742 8.270 0.130 0.008 0.432 266 E N 0.411 120.636 120.200 0.041 0.000 2.031 266 E HA -0.228 nan 4.350 nan 0.000 0.193 266 E C 2.509 179.132 176.600 0.037 0.000 0.994 266 E CA 2.337 58.752 56.400 0.025 0.000 0.800 266 E CB -0.537 29.178 29.700 0.026 0.000 0.752 266 E HN -0.676 7.717 8.360 0.055 0.000 0.447 267 L N -2.769 118.495 121.223 0.068 0.000 2.270 267 L HA -0.276 nan 4.340 nan 0.000 0.217 267 L C 0.534 177.470 176.870 0.111 0.000 1.107 267 L CA 2.195 57.092 54.840 0.095 0.000 0.772 267 L CB -0.114 42.022 42.059 0.129 0.000 0.902 267 L HN 0.304 8.476 8.230 0.073 0.102 0.439 268 A N -3.245 119.629 122.820 0.090 0.000 2.346 268 A HA 0.032 nan 4.320 nan 0.000 0.242 268 A C 0.596 178.167 177.584 -0.022 0.000 1.323 268 A CA -0.613 51.450 52.037 0.045 0.000 0.940 268 A CB -1.331 17.638 19.000 -0.052 0.000 0.943 268 A HN -0.409 7.650 8.150 0.078 0.138 0.501 269 A N -0.056 122.768 122.820 0.006 0.000 1.923 269 A HA -0.473 nan 4.320 nan 0.000 0.222 269 A C 1.950 179.515 177.584 -0.031 0.000 1.258 269 A CA 3.122 55.153 52.037 -0.010 0.000 0.670 269 A CB -0.854 18.153 19.000 0.012 0.000 0.834 269 A HN -0.181 7.862 8.150 0.033 0.127 0.470 270 K N -3.123 117.268 120.400 -0.015 0.000 2.063 270 K HA -0.381 nan 4.320 nan 0.000 0.225 270 K C 0.621 177.179 176.600 -0.069 0.000 0.954 270 K CA 2.210 58.479 56.287 -0.030 0.000 0.988 270 K CB -0.328 32.159 32.500 -0.022 0.000 0.842 270 K HN 0.333 8.591 8.250 0.015 0.001 0.475 271 V N -1.283 118.554 119.914 -0.128 0.000 2.383 271 V HA 0.317 nan 4.120 nan 0.000 0.264 271 V C -0.061 175.898 176.094 -0.225 0.000 1.001 271 V CA -1.423 60.781 62.300 -0.160 0.000 0.828 271 V CB 0.398 32.117 31.823 -0.172 0.000 1.069 271 V HN -0.605 7.493 8.190 -0.155 0.000 0.451 272 D N 6.854 127.163 120.400 -0.153 0.000 2.339 272 D HA -0.376 nan 4.640 nan 0.000 0.189 272 D C -0.804 175.384 176.300 -0.187 0.000 1.022 272 D CA 4.545 58.459 54.000 -0.143 0.000 0.884 272 D CB -2.428 38.323 40.800 -0.081 0.000 0.916 272 D HN -0.090 8.213 8.370 -0.112 0.000 0.453 273 P HA -0.134 nan 4.420 nan 0.000 0.215 273 P C 1.294 178.303 177.300 -0.486 0.000 1.157 273 P CA 2.373 65.385 63.100 -0.148 0.000 0.856 273 P CB -0.133 31.566 31.700 -0.002 0.000 0.786 274 E N -1.327 118.438 120.200 -0.725 0.000 2.114 274 E HA -0.367 nan 4.350 nan 0.000 0.199 274 E C 2.184 177.838 176.600 -1.577 0.000 1.008 274 E CA 3.509 58.878 56.400 -1.718 0.000 0.810 274 E CB -0.101 28.972 29.700 -1.045 0.000 0.739 274 E HN 0.400 8.492 8.360 -0.446 0.000 0.456 275 R N -2.870 117.146 120.500 -0.807 0.000 2.033 275 R HA 0.013 nan 4.340 nan 0.000 0.219 275 R C 2.150 178.242 176.300 -0.347 0.000 1.223 275 R CA 1.795 57.563 56.100 -0.554 0.000 0.971 275 R CB -0.161 29.911 30.300 -0.380 0.000 0.855 275 R HN 0.181 7.986 8.270 -0.612 0.098 0.452 276 A N 0.537 123.219 122.820 -0.230 0.000 2.849 276 A HA -0.086 nan 4.320 nan 0.000 0.246 276 A C -0.824 176.723 177.584 -0.062 0.000 1.820 276 A CA 1.085 53.056 52.037 -0.109 0.000 1.512 276 A CB -1.703 17.252 19.000 -0.075 0.000 0.884 276 A HN 0.038 7.968 8.150 -0.238 0.078 0.626 277 K N -3.505 116.866 120.400 -0.048 0.000 3.098 277 K HA 0.200 nan 4.320 nan 0.000 0.258 277 K C -0.886 175.882 176.600 0.280 0.000 2.409 277 K CA 0.428 56.799 56.287 0.140 0.000 1.470 277 K CB 1.611 34.283 32.500 0.287 0.000 2.673 277 K HN 0.340 8.442 8.250 -0.100 0.088 0.463 278 W N 0.743 122.016 121.300 -0.045 0.000 2.112 278 W HA 0.105 nan 4.660 nan 0.000 0.349 278 W C 1.244 177.749 176.519 -0.024 0.000 1.289 278 W CA -2.345 54.978 57.345 -0.037 0.000 1.256 278 W CB -0.578 28.853 29.460 -0.048 0.000 1.148 278 W HN -0.415 7.687 8.180 -0.129 0.000 0.590 279 K N 1.310 121.863 120.400 0.255 0.000 2.062 279 K HA -0.212 nan 4.320 nan 0.000 0.205 279 K C -0.198 176.513 176.600 0.186 0.000 1.051 279 K CA 1.939 58.322 56.287 0.159 0.000 0.941 279 K CB -0.014 32.554 32.500 0.113 0.000 0.719 279 K HN 0.357 8.760 8.250 0.256 0.000 0.440 280 R N -2.430 118.212 120.500 0.236 0.000 2.443 280 R HA 0.389 nan 4.340 nan 0.000 0.287 280 R C -1.893 174.566 176.300 0.264 0.000 1.425 280 R CA -2.517 53.726 56.100 0.238 0.000 1.300 280 R CB -0.433 29.999 30.300 0.220 0.000 1.129 280 R HN -0.597 7.838 8.270 0.274 0.000 0.577 281 P HA -0.106 nan 4.420 nan 0.000 0.225 281 P C -1.108 175.969 177.300 -0.370 0.000 1.148 281 P CA 1.239 64.115 63.100 -0.373 0.000 0.779 281 P CB 0.481 31.681 31.700 -0.832 0.000 0.780 282 F N -1.263 118.753 119.950 0.110 0.000 2.427 282 F HA 0.173 nan 4.527 nan 0.000 0.346 282 F C 0.031 175.908 175.800 0.128 0.000 1.120 282 F CA -1.320 56.735 58.000 0.092 0.000 1.033 282 F CB 0.860 39.894 39.000 0.055 0.000 1.126 282 F HN -0.570 7.777 8.300 0.162 0.050 0.462 283 R N 4.312 124.997 120.500 0.308 0.000 2.115 283 R HA 0.026 nan 4.340 nan 0.000 0.226 283 R C -1.258 175.173 176.300 0.218 0.000 1.100 283 R CA 1.169 57.410 56.100 0.236 0.000 0.980 283 R CB 0.762 31.171 30.300 0.182 0.000 0.875 283 R HN 0.163 8.614 8.270 0.301 0.000 0.445 284 L N -6.088 115.249 121.223 0.190 0.000 2.582 284 L HA 0.374 nan 4.340 nan 0.000 0.257 284 L C -3.121 173.759 176.870 0.017 0.000 0.974 284 L CA -0.793 54.111 54.840 0.107 0.000 0.851 284 L CB 4.155 46.258 42.059 0.073 0.000 1.424 284 L HN -0.891 7.460 8.230 0.223 0.013 0.412 285 A N 2.666 125.432 122.820 -0.090 0.000 2.335 285 A HA 0.742 nan 4.320 nan 0.000 0.304 285 A C -2.372 175.056 177.584 -0.260 0.000 1.118 285 A CA -1.357 50.549 52.037 -0.220 0.000 0.757 285 A CB 2.388 21.225 19.000 -0.272 0.000 1.188 285 A HN 0.035 8.140 8.150 -0.076 0.000 0.460 286 V N 5.535 125.273 119.914 -0.293 0.000 2.347 286 V HA 0.713 nan 4.120 nan 0.000 0.280 286 V C -1.609 174.251 176.094 -0.389 0.000 1.021 286 V CA -0.790 61.302 62.300 -0.345 0.000 0.847 286 V CB 0.740 32.362 31.823 -0.335 0.000 0.990 286 V HN 0.514 8.527 8.190 -0.295 0.000 0.444 287 I N 5.924 126.274 120.570 -0.366 0.000 2.545 287 I HA 0.399 nan 4.170 nan 0.000 0.292 287 I C -1.887 174.090 176.117 -0.234 0.000 1.040 287 I CA -1.545 59.580 61.300 -0.291 0.000 1.068 287 I CB 4.036 41.865 38.000 -0.284 0.000 1.251 287 I HN 0.865 8.823 8.210 -0.420 0.000 0.424 288 Q N 6.513 126.177 119.800 -0.227 0.000 2.402 288 Q HA -0.063 nan 4.340 nan 0.000 0.238 288 Q C -0.428 175.370 176.000 -0.336 0.000 1.126 288 Q CA 0.122 55.824 55.803 -0.168 0.000 0.904 288 Q CB -0.337 28.368 28.738 -0.055 0.000 1.357 288 Q HN -0.009 8.419 8.270 -0.208 -0.283 0.491 289 L N 5.970 127.094 121.223 -0.165 0.000 2.042 289 L HA -0.191 nan 4.340 nan 0.000 0.210 289 L C -1.152 175.698 176.870 -0.034 0.000 1.076 289 L CA 1.950 56.691 54.840 -0.166 0.000 0.749 289 L CB 0.905 42.929 42.059 -0.059 0.000 0.893 289 L HN -0.302 7.903 8.230 -0.042 0.000 0.432 290 G N -6.946 101.892 108.800 0.064 0.000 2.732 290 G HA2 0.329 nan 3.960 nan 0.000 0.295 290 G HA3 0.329 nan 3.960 nan 0.000 0.295 290 G C -2.673 172.371 174.900 0.240 0.000 1.456 290 G CA -0.461 44.756 45.100 0.195 0.000 1.050 290 G HN -0.743 7.573 8.290 0.042 0.000 0.525 291 T N 1.635 116.320 114.554 0.218 0.000 2.918 291 T HA 0.497 nan 4.350 nan 0.000 0.283 291 T C 0.762 175.453 174.700 -0.015 0.000 1.001 291 T CA -2.384 59.810 62.100 0.157 0.000 1.041 291 T CB 2.461 71.389 68.868 0.101 0.000 1.028 291 T HN -0.100 8.283 8.240 0.238 0.000 0.511 292 Y N 1.973 121.988 120.300 -0.473 0.000 2.219 292 Y HA -0.365 nan 4.550 nan 0.000 0.283 292 Y C -0.046 175.504 175.900 -0.583 0.000 1.191 292 Y CA 1.731 59.224 58.100 -1.013 0.000 1.199 292 Y CB -0.249 37.811 38.460 -0.666 0.000 0.972 292 Y HN 0.787 9.055 8.280 -0.020 0.000 0.527 293 D N -3.527 116.755 120.400 -0.196 0.000 2.395 293 D HA 0.088 nan 4.640 nan 0.000 0.226 293 D C 0.154 176.353 176.300 -0.168 0.000 1.146 293 D CA -0.436 53.374 54.000 -0.316 0.000 0.830 293 D CB 0.331 40.883 40.800 -0.413 0.000 0.958 293 D HN -0.802 7.457 8.370 -0.109 0.046 0.501 294 G N -1.661 107.142 108.800 0.005 0.000 2.195 294 G HA2 -0.392 nan 3.960 nan 0.000 0.246 294 G HA3 -0.392 nan 3.960 nan 0.000 0.246 294 G C -0.379 174.723 174.900 0.337 0.000 0.984 294 G CA 0.531 45.740 45.100 0.181 0.000 0.633 294 G HN -0.300 7.908 8.290 -0.016 0.072 0.525 295 T N 4.891 119.620 114.554 0.291 0.000 2.729 295 T HA 0.313 nan 4.350 nan 0.000 0.296 295 T C -1.167 173.752 174.700 0.366 0.000 0.928 295 T CA 1.663 63.969 62.100 0.342 0.000 1.045 295 T CB -0.309 68.547 68.868 -0.019 0.000 0.902 295 T HN -0.643 7.646 8.240 0.167 0.051 0.500 296 I N 6.408 127.247 120.570 0.448 0.000 2.412 296 I HA 0.599 nan 4.170 nan 0.000 0.296 296 I C -0.709 175.762 176.117 0.591 0.000 0.987 296 I CA -1.098 60.484 61.300 0.471 0.000 1.180 296 I CB 2.252 40.466 38.000 0.357 0.000 1.340 296 I HN 0.145 8.645 8.210 0.483 0.000 0.455 297 Y N 5.310 125.762 120.300 0.253 0.000 2.298 297 Y HA 0.070 nan 4.550 nan 0.000 0.329 297 Y C -0.069 175.883 175.900 0.087 0.000 1.293 297 Y CA -1.161 57.030 58.100 0.151 0.000 1.388 297 Y CB 0.851 39.408 38.460 0.162 0.000 1.309 297 Y HN 0.750 9.450 8.280 0.700 0.000 0.544 298 N N 2.079 120.864 118.700 0.142 0.000 2.602 298 N HA 0.004 nan 4.740 nan 0.000 0.238 298 N C 0.007 175.543 175.510 0.044 0.000 1.084 298 N CA -2.066 51.050 53.050 0.110 0.000 0.952 298 N CB -0.306 38.221 38.487 0.066 0.000 1.244 298 N HN -0.253 8.084 8.380 -0.072 0.000 0.512 299 A N 5.329 128.141 122.820 -0.013 0.000 2.042 299 A HA -0.369 nan 4.320 nan 0.000 0.222 299 A C 1.484 179.131 177.584 0.104 0.000 1.167 299 A CA 2.719 54.712 52.037 -0.072 0.000 0.649 299 A CB -0.457 18.355 19.000 -0.314 0.000 0.809 299 A HN 0.351 8.465 8.150 -0.061 0.000 0.457 300 H N -2.833 116.184 119.070 -0.088 0.000 2.395 300 H HA -0.285 nan 4.556 nan 0.000 0.299 300 H C 2.744 178.037 175.328 -0.058 0.000 1.070 300 H CA 2.399 58.404 56.048 -0.071 0.000 1.356 300 H CB 0.046 29.771 29.762 -0.062 0.000 1.401 300 H HN -0.359 8.095 8.280 0.109 -0.109 0.524 301 E N -0.780 119.458 120.200 0.064 0.000 2.285 301 E HA -0.166 nan 4.350 nan 0.000 0.194 301 E C 2.007 178.546 176.600 -0.101 0.000 0.997 301 E CA 2.696 59.085 56.400 -0.018 0.000 0.845 301 E CB -0.196 29.478 29.700 -0.044 0.000 0.782 301 E HN -0.462 8.110 8.360 0.065 -0.172 0.491 302 V N 0.537 120.396 119.914 -0.092 0.000 2.255 302 V HA -0.317 nan 4.120 nan 0.000 0.243 302 V C 1.542 177.572 176.094 -0.106 0.000 1.038 302 V CA 4.734 66.924 62.300 -0.183 0.000 1.008 302 V CB -0.606 31.236 31.823 0.031 0.000 0.645 302 V HN -0.606 7.548 8.190 -0.009 0.031 0.449 303 V N -1.025 118.898 119.914 0.016 0.000 2.380 303 V HA -0.553 nan 4.120 nan 0.000 0.251 303 V C 2.007 178.052 176.094 -0.081 0.000 1.063 303 V CA 4.359 66.652 62.300 -0.011 0.000 1.055 303 V CB -1.307 30.523 31.823 0.011 0.000 0.657 303 V HN -0.441 7.793 8.190 0.074 0.000 0.455 304 K N -1.033 119.327 120.400 -0.067 0.000 2.057 304 K HA -0.262 nan 4.320 nan 0.000 0.206 304 K C 2.107 178.693 176.600 -0.024 0.000 1.050 304 K CA 2.946 59.206 56.287 -0.046 0.000 0.935 304 K CB -0.225 32.261 32.500 -0.023 0.000 0.715 304 K HN -0.695 7.516 8.250 -0.051 0.008 0.439 305 R N -4.414 116.045 120.500 -0.068 0.000 2.200 305 R HA -0.108 nan 4.340 nan 0.000 0.208 305 R C 1.085 177.366 176.300 -0.031 0.000 1.033 305 R CA 2.256 58.327 56.100 -0.049 0.000 1.000 305 R CB 1.055 31.286 30.300 -0.116 0.000 0.906 305 R HN -0.441 7.675 8.270 -0.114 0.085 0.462 306 I N -10.278 110.248 120.570 -0.074 0.000 4.541 306 I HA 0.413 nan 4.170 nan 0.000 0.337 306 I C 0.968 177.072 176.117 -0.021 0.000 1.338 306 I CA -0.466 60.819 61.300 -0.026 0.000 1.244 306 I CB 0.937 38.894 38.000 -0.071 0.000 1.417 306 I HN -0.132 8.010 8.210 -0.113 0.000 0.501 307 G N 3.416 112.169 108.800 -0.078 0.000 2.469 307 G HA2 -0.323 nan 3.960 nan 0.000 0.219 307 G HA3 -0.323 nan 3.960 nan 0.000 0.219 307 G C 1.333 176.165 174.900 -0.113 0.000 1.150 307 G CA 2.522 47.544 45.100 -0.131 0.000 0.763 307 G HN 0.353 8.501 8.290 -0.089 0.088 0.561 308 H N 1.778 120.879 119.070 0.051 0.000 2.489 308 H HA -0.166 nan 4.556 nan 0.000 0.293 308 H C 1.470 176.866 175.328 0.113 0.000 1.066 308 H CA 2.397 58.487 56.048 0.070 0.000 1.305 308 H CB -0.456 29.340 29.762 0.058 0.000 1.386 308 H HN 0.038 8.278 8.280 -0.067 0.000 0.551 309 L N -3.264 118.104 121.223 0.241 0.000 2.591 309 L HA -0.009 nan 4.340 nan 0.000 0.228 309 L C -1.338 175.765 176.870 0.389 0.000 1.133 309 L CA 0.406 55.438 54.840 0.321 0.000 0.880 309 L CB -0.063 42.237 42.059 0.401 0.000 1.033 309 L HN -0.608 7.696 8.230 0.193 0.042 0.450 310 C N -3.260 116.182 119.300 0.237 0.000 2.888 310 C HA 0.297 nan 4.460 nan 0.000 0.308 310 C C -0.584 174.488 174.990 0.138 0.000 1.213 310 C CA -1.239 57.912 59.018 0.221 0.000 1.461 310 C CB 3.454 31.265 27.740 0.118 0.000 1.934 310 C HN -0.492 7.771 8.230 0.160 0.063 0.474 311 D N 1.284 121.782 120.400 0.162 0.000 2.103 311 D HA -0.086 nan 4.640 nan 0.000 0.199 311 D C -0.365 175.910 176.300 -0.042 0.000 0.978 311 D CA 2.809 56.866 54.000 0.096 0.000 0.829 311 D CB 0.859 41.778 40.800 0.199 0.000 0.981 311 D HN 0.345 8.845 8.370 0.217 0.000 0.464 312 Y N -4.771 115.550 120.300 0.034 0.000 2.634 312 Y HA 0.612 nan 4.550 nan 0.000 0.340 312 Y C -1.413 174.457 175.900 -0.050 0.000 1.058 312 Y CA -0.755 57.347 58.100 0.003 0.000 1.081 312 Y CB 5.053 43.513 38.460 0.001 0.000 1.295 312 Y HN -0.729 7.710 8.280 0.266 0.000 0.487 313 I N -0.887 119.732 120.570 0.081 0.000 2.499 313 I HA 0.299 nan 4.170 nan 0.000 0.288 313 I C -2.380 173.609 176.117 -0.213 0.000 1.048 313 I CA -0.855 60.341 61.300 -0.174 0.000 1.062 313 I CB 3.563 41.339 38.000 -0.373 0.000 1.238 313 I HN 0.304 8.617 8.210 0.171 0.000 0.426 314 E N 6.536 126.571 120.200 -0.274 0.000 2.109 314 E HA 0.433 nan 4.350 nan 0.000 0.278 314 E C -1.538 174.872 176.600 -0.318 0.000 0.954 314 E CA -2.040 54.247 56.400 -0.188 0.000 0.779 314 E CB 2.786 32.425 29.700 -0.101 0.000 1.093 314 E HN 0.577 8.761 8.360 -0.292 0.000 0.401 315 F N 6.665 126.574 119.950 -0.069 0.000 2.334 315 F HA 0.244 nan 4.527 nan 0.000 0.367 315 F C -1.406 174.327 175.800 -0.112 0.000 1.115 315 F CA -1.283 56.653 58.000 -0.107 0.000 1.116 315 F CB 0.631 39.574 39.000 -0.094 0.000 1.230 315 F HN 0.704 9.085 8.300 0.135 0.000 0.484 316 D N 5.914 126.317 120.400 0.005 0.000 2.402 316 D HA 0.119 nan 4.640 nan 0.000 0.235 316 D C -0.369 175.902 176.300 -0.048 0.000 1.226 316 D CA -1.063 52.903 54.000 -0.055 0.000 0.918 316 D CB -0.001 40.745 40.800 -0.091 0.000 1.043 316 D HN -0.097 8.247 8.370 -0.044 0.000 0.506 317 S N 6.093 121.752 115.700 -0.068 0.000 2.457 317 S HA 0.324 nan 4.470 nan 0.000 0.237 317 S C 0.507 175.001 174.600 -0.177 0.000 1.213 317 S CA -1.769 56.375 58.200 -0.093 0.000 1.218 317 S CB -0.656 62.488 63.200 -0.093 0.000 0.922 317 S HN 0.475 8.651 8.310 -0.066 0.094 0.488 318 A N 2.393 125.054 122.820 -0.265 0.000 1.972 318 A HA -0.104 nan 4.320 nan 0.000 0.219 318 A C 0.449 177.685 177.584 -0.580 0.000 1.169 318 A CA 2.969 54.726 52.037 -0.467 0.000 0.635 318 A CB -0.495 18.136 19.000 -0.614 0.000 0.810 318 A HN -0.601 7.518 8.150 -0.233 -0.109 0.446 319 W N -4.925 116.292 121.300 -0.139 0.000 3.180 319 W HA -0.140 nan 4.660 nan 0.000 0.254 319 W C -0.764 175.694 176.519 -0.102 0.000 1.318 319 W CA 0.617 57.910 57.345 -0.087 0.000 1.608 319 W CB 0.059 29.501 29.460 -0.030 0.000 1.124 319 W HN -0.191 7.901 8.180 -0.134 0.008 0.694 320 V N -7.369 112.474 119.914 -0.119 0.000 4.087 320 V HA 0.604 nan 4.120 nan 0.000 0.307 320 V C -0.503 175.268 176.094 -0.538 0.000 1.472 320 V CA -2.623 59.370 62.300 -0.512 0.000 0.924 320 V CB 1.266 32.823 31.823 -0.443 0.000 1.193 320 V HN -0.580 7.315 8.190 -0.164 0.197 0.472 321 G N -3.172 105.265 108.800 -0.605 0.000 2.617 321 G HA2 -0.213 nan 3.960 nan 0.000 0.197 321 G HA3 -0.213 nan 3.960 nan 0.000 0.197 321 G C 0.277 175.044 174.900 -0.221 0.000 1.017 321 G CA 0.716 45.653 45.100 -0.271 0.000 0.713 321 G HN -0.103 8.084 8.290 -0.689 -0.310 0.481 322 Y N -0.512 119.703 120.300 -0.142 0.000 2.544 322 Y HA 0.121 nan 4.550 nan 0.000 0.286 322 Y C 0.485 176.117 175.900 -0.447 0.000 1.141 322 Y CA -0.583 57.293 58.100 -0.372 0.000 1.299 322 Y CB -1.136 36.651 38.460 -1.121 0.000 1.030 322 Y HN -0.121 7.296 8.280 -1.327 0.067 0.543 323 E N 0.958 120.974 120.200 -0.307 0.000 2.333 323 E HA -0.349 nan 4.350 nan 0.000 0.198 323 E C 0.672 177.085 176.600 -0.312 0.000 1.007 323 E CA 2.402 58.667 56.400 -0.224 0.000 0.845 323 E CB -2.094 27.472 29.700 -0.224 0.000 0.766 323 E HN 0.419 8.413 8.360 -0.535 0.045 0.507 324 Q N -1.757 117.741 119.800 -0.503 0.000 2.432 324 Q HA -0.127 nan 4.340 nan 0.000 0.205 324 Q C 0.617 176.187 176.000 -0.716 0.000 0.945 324 Q CA 1.519 56.923 55.803 -0.664 0.000 0.924 324 Q CB 0.487 28.660 28.738 -0.943 0.000 1.016 324 Q HN -0.527 7.353 8.270 -0.558 0.055 0.503 325 F N -4.034 115.807 119.950 -0.182 0.000 2.706 325 F HA 0.095 nan 4.527 nan 0.000 0.313 325 F C -0.927 174.787 175.800 -0.142 0.000 1.096 325 F CA -0.268 57.632 58.000 -0.166 0.000 1.219 325 F CB 1.800 40.667 39.000 -0.221 0.000 1.051 325 F HN -0.457 7.390 8.300 -0.420 0.200 0.568 326 I N -1.161 119.382 120.570 -0.044 0.000 2.382 326 I HA 0.314 nan 4.170 nan 0.000 0.286 326 I C -1.107 174.971 176.117 -0.065 0.000 1.002 326 I CA -3.189 58.087 61.300 -0.041 0.000 1.135 326 I CB 1.688 39.627 38.000 -0.102 0.000 1.288 326 I HN -0.949 7.073 8.210 -0.131 0.110 0.448 327 P HA -0.248 nan 4.420 nan 0.000 0.211 327 P C 0.972 178.226 177.300 -0.077 0.000 1.181 327 P CA 3.080 66.157 63.100 -0.038 0.000 0.929 327 P CB 0.059 31.759 31.700 0.000 0.000 0.789 328 M N -6.772 112.786 119.600 -0.070 0.000 2.337 328 M HA -0.206 nan 4.480 nan 0.000 0.261 328 M C 0.982 177.163 176.300 -0.199 0.000 1.067 328 M CA 2.995 58.238 55.300 -0.094 0.000 1.074 328 M CB -0.697 31.878 32.600 -0.042 0.000 1.395 328 M HN 0.024 8.290 8.290 -0.040 0.000 0.431 329 M N -3.142 116.329 119.600 -0.215 0.000 2.495 329 M HA 0.025 nan 4.480 nan 0.000 0.237 329 M C 1.326 177.445 176.300 -0.302 0.000 1.131 329 M CA 0.808 55.935 55.300 -0.289 0.000 1.032 329 M CB -0.087 32.383 32.600 -0.216 0.000 1.513 329 M HN -0.741 7.274 8.290 -0.166 0.176 0.488 330 R N -0.055 120.292 120.500 -0.255 0.000 2.133 330 R HA -0.376 nan 4.340 nan 0.000 0.247 330 R C 2.318 178.389 176.300 -0.382 0.000 1.151 330 R CA 2.655 58.607 56.100 -0.246 0.000 0.971 330 R CB -1.256 28.949 30.300 -0.158 0.000 0.866 330 R HN -0.093 7.998 8.270 -0.210 0.053 0.447 331 N N 0.064 118.462 118.700 -0.503 0.000 2.094 331 N HA -0.238 nan 4.740 nan 0.000 0.191 331 N C 1.846 176.953 175.510 -0.671 0.000 1.023 331 N CA 2.804 55.367 53.050 -0.812 0.000 0.857 331 N CB -0.699 37.512 38.487 -0.460 0.000 1.013 331 N HN 0.215 8.328 8.380 -0.417 0.017 0.426 332 S N -2.309 113.168 115.700 -0.372 0.000 2.419 332 S HA -0.220 nan 4.470 nan 0.000 0.233 332 S C 0.017 174.478 174.600 -0.232 0.000 1.016 332 S CA 1.596 59.674 58.200 -0.203 0.000 0.974 332 S CB 0.153 63.284 63.200 -0.115 0.000 0.786 332 S HN -0.534 7.536 8.310 -0.398 0.001 0.492 333 S N 2.057 117.615 115.700 -0.238 0.000 2.488 333 S HA 0.195 nan 4.470 nan 0.000 0.278 333 S C -1.078 173.450 174.600 -0.120 0.000 1.259 333 S CA -1.920 56.157 58.200 -0.204 0.000 1.061 333 S CB 1.339 64.416 63.200 -0.204 0.000 0.910 333 S HN -0.646 7.339 8.310 -0.275 0.159 0.491 334 P HA 0.102 nan 4.420 nan 0.000 0.226 334 P C 0.217 177.420 177.300 -0.162 0.000 1.161 334 P CA 1.370 64.298 63.100 -0.288 0.000 0.804 334 P CB 0.600 31.931 31.700 -0.614 0.000 0.829 335 L N -2.237 118.899 121.223 -0.144 0.000 2.554 335 L HA -0.131 nan 4.340 nan 0.000 0.226 335 L C 0.738 177.539 176.870 -0.115 0.000 1.137 335 L CA 1.247 56.020 54.840 -0.111 0.000 0.863 335 L CB -0.120 41.866 42.059 -0.122 0.000 0.985 335 L HN -0.716 7.410 8.230 -0.173 0.000 0.451 336 L N -1.335 119.824 121.223 -0.107 0.000 3.073 336 L HA 0.069 nan 4.340 nan 0.000 0.242 336 L C -1.260 175.534 176.870 -0.127 0.000 1.317 336 L CA -0.656 54.133 54.840 -0.085 0.000 1.081 336 L CB -1.236 40.789 42.059 -0.056 0.000 1.456 336 L HN -0.637 7.472 8.230 -0.094 0.065 0.525 337 I N 1.718 122.164 120.570 -0.207 0.000 2.503 337 I HA -0.004 nan 4.170 nan 0.000 0.277 337 I C -1.735 174.246 176.117 -0.226 0.000 1.078 337 I CA -0.813 60.281 61.300 -0.343 0.000 1.184 337 I CB 0.211 37.991 38.000 -0.367 0.000 1.353 337 I HN -0.762 7.258 8.210 -0.161 0.093 0.490 338 D N 9.199 129.489 120.400 -0.182 0.000 2.485 338 D HA 0.121 nan 4.640 nan 0.000 0.221 338 D C -0.978 175.244 176.300 -0.130 0.000 1.112 338 D CA 0.498 54.418 54.000 -0.133 0.000 0.911 338 D CB -0.258 40.485 40.800 -0.094 0.000 1.019 338 D HN 0.326 8.586 8.370 -0.183 0.000 0.516 339 D N -0.125 120.186 120.400 -0.150 0.000 4.308 339 D HA -0.117 nan 4.640 nan 0.000 0.151 339 D C -0.957 175.242 176.300 -0.168 0.000 0.655 339 D CA 0.189 54.110 54.000 -0.131 0.000 0.650 339 D CB -0.965 39.764 40.800 -0.120 0.000 1.679 339 D HN 0.009 8.272 8.370 -0.177 0.000 0.274 340 L N 0.865 121.946 121.223 -0.238 0.000 2.385 340 L HA 0.128 nan 4.340 nan 0.000 0.281 340 L C 0.479 177.182 176.870 -0.280 0.000 1.106 340 L CA -0.245 54.361 54.840 -0.390 0.000 0.856 340 L CB -0.165 41.429 42.059 -0.775 0.000 1.186 340 L HN -0.138 7.962 8.230 -0.217 0.000 0.453 341 G N 3.369 112.067 108.800 -0.170 0.000 2.562 341 G HA2 0.241 nan 3.960 nan 0.000 0.275 341 G HA3 0.241 nan 3.960 nan 0.000 0.275 341 G C -1.212 173.729 174.900 0.068 0.000 1.196 341 G CA -1.832 43.246 45.100 -0.037 0.000 0.908 341 G HN -0.319 8.045 8.290 -0.177 -0.181 0.524 342 P HA -0.199 nan 4.420 nan 0.000 0.221 342 P C 0.702 178.064 177.300 0.103 0.000 1.145 342 P CA 1.963 65.115 63.100 0.087 0.000 0.795 342 P CB 0.457 32.177 31.700 0.033 0.000 0.775 343 E N -4.835 115.437 120.200 0.120 0.000 2.216 343 E HA -0.117 nan 4.350 nan 0.000 0.192 343 E C -0.596 176.103 176.600 0.165 0.000 0.988 343 E CA 0.594 57.112 56.400 0.197 0.000 0.834 343 E CB -0.062 29.811 29.700 0.289 0.000 0.772 343 E HN 0.434 8.796 8.360 0.100 0.058 0.479 344 D N -2.195 118.220 120.400 0.026 0.000 2.294 344 D HA 0.275 nan 4.640 nan 0.000 0.250 344 D C -1.498 174.845 176.300 0.071 0.000 1.058 344 D CA -2.518 51.391 54.000 -0.152 0.000 0.950 344 D CB -0.195 40.451 40.800 -0.257 0.000 1.158 344 D HN -0.549 7.709 8.370 0.065 0.152 0.453 345 P HA -0.187 nan 4.420 nan 0.000 0.265 345 P C -0.360 177.017 177.300 0.128 0.000 1.193 345 P CA -0.136 62.974 63.100 0.015 0.000 0.765 345 P CB 0.515 32.196 31.700 -0.032 0.000 0.823 346 G N 1.087 109.691 108.800 -0.327 0.000 2.340 346 G HA2 0.007 nan 3.960 nan 0.000 0.245 346 G HA3 0.007 nan 3.960 nan 0.000 0.245 346 G C -1.503 173.407 174.900 0.018 0.000 1.294 346 G CA -0.128 44.732 45.100 -0.400 0.000 0.896 346 G HN -0.035 7.909 8.290 -0.577 0.000 0.522 347 I N 5.674 126.369 120.570 0.208 0.000 2.359 347 I HA 0.602 nan 4.170 nan 0.000 0.294 347 I C -1.397 174.861 176.117 0.235 0.000 0.987 347 I CA 0.079 61.522 61.300 0.238 0.000 1.225 347 I CB 2.017 40.158 38.000 0.235 0.000 1.366 347 I HN 0.448 8.823 8.210 0.275 0.000 0.466 348 I N 6.056 126.766 120.570 0.234 0.000 2.608 348 I HA 0.615 nan 4.170 nan 0.000 0.295 348 I C -1.780 174.450 176.117 0.188 0.000 1.049 348 I CA -1.194 60.202 61.300 0.159 0.000 1.063 348 I CB 3.523 41.574 38.000 0.084 0.000 1.248 348 I HN 0.385 8.738 8.210 0.238 0.000 0.424 349 V N 6.058 126.057 119.914 0.142 0.000 2.525 349 V HA 0.617 nan 4.120 nan 0.000 0.299 349 V C -1.602 174.500 176.094 0.013 0.000 1.034 349 V CA -0.983 61.391 62.300 0.122 0.000 0.863 349 V CB 2.394 34.296 31.823 0.132 0.000 0.999 349 V HN 0.652 8.916 8.190 0.122 0.000 0.423 350 V N 8.270 128.172 119.914 -0.019 0.000 2.370 350 V HA 0.604 nan 4.120 nan 0.000 0.283 350 V C -1.873 174.141 176.094 -0.133 0.000 1.023 350 V CA -1.467 60.782 62.300 -0.085 0.000 0.857 350 V CB 0.875 32.654 31.823 -0.073 0.000 0.985 350 V HN 0.972 9.170 8.190 0.014 0.000 0.443 351 Q N 6.180 125.871 119.800 -0.183 0.000 2.305 351 Q HA 0.501 nan 4.340 nan 0.000 0.271 351 Q C -1.274 174.594 176.000 -0.220 0.000 1.046 351 Q CA -2.512 53.167 55.803 -0.207 0.000 0.798 351 Q CB 3.764 32.392 28.738 -0.184 0.000 1.286 351 Q HN 0.572 8.717 8.270 -0.209 0.000 0.435 352 S N 3.392 118.916 115.700 -0.294 0.000 2.430 352 S HA 0.079 nan 4.470 nan 0.000 0.282 352 S C 0.249 174.662 174.600 -0.312 0.000 1.186 352 S CA 0.269 58.265 58.200 -0.339 0.000 1.060 352 S CB -0.151 62.661 63.200 -0.648 0.000 0.966 352 S HN 0.583 8.681 8.310 -0.353 0.000 0.501 353 V N 5.264 125.090 119.914 -0.146 0.000 2.970 353 V HA -0.239 nan 4.120 nan 0.000 0.260 353 V C 1.188 177.254 176.094 -0.047 0.000 1.100 353 V CA 2.474 64.726 62.300 -0.080 0.000 1.122 353 V CB -0.662 31.120 31.823 -0.067 0.000 0.721 353 V HN 0.572 8.610 8.190 -0.075 0.107 0.483 354 H N -2.777 116.261 119.070 -0.052 0.000 2.436 354 H HA -0.075 nan 4.556 nan 0.000 0.294 354 H C 1.464 176.791 175.328 -0.003 0.000 1.048 354 H CA 2.431 58.468 56.048 -0.017 0.000 1.353 354 H CB -0.534 29.229 29.762 0.002 0.000 1.414 354 H HN -0.490 7.738 8.280 -0.021 0.039 0.536 355 K N 0.249 120.265 120.400 -0.641 0.000 1.971 355 K HA -0.228 nan 4.320 nan 0.000 0.221 355 K C 1.356 177.947 176.600 -0.015 0.000 1.050 355 K CA 2.534 58.588 56.287 -0.388 0.000 0.967 355 K CB 0.160 32.231 32.500 -0.715 0.000 0.733 355 K HN -0.573 7.061 8.250 -1.028 0.000 0.445 356 Q N -5.141 114.702 119.800 0.072 0.000 2.115 356 Q HA 0.169 nan 4.340 nan 0.000 0.249 356 Q C -1.236 175.015 176.000 0.418 0.000 0.830 356 Q CA -0.209 55.785 55.803 0.319 0.000 1.104 356 Q CB 1.086 30.152 28.738 0.547 0.000 1.207 356 Q HN 0.148 8.392 8.270 -0.042 0.000 0.464 357 Q N -1.370 118.583 119.800 0.254 0.000 3.022 357 Q HA 0.392 nan 4.340 nan 0.000 0.313 357 Q C -1.561 174.517 176.000 0.130 0.000 1.018 357 Q CA -1.857 54.116 55.803 0.284 0.000 0.799 357 Q CB 4.424 33.311 28.738 0.248 0.000 1.498 357 Q HN -0.662 7.686 8.270 0.130 0.000 0.494 358 A N 0.613 123.481 122.820 0.080 0.000 2.506 358 A HA 0.200 nan 4.320 nan 0.000 0.320 358 A C -1.582 175.952 177.584 -0.083 0.000 1.424 358 A CA -0.461 51.560 52.037 -0.027 0.000 1.044 358 A CB -0.465 18.494 19.000 -0.068 0.000 1.140 358 A HN 0.083 8.598 8.150 0.121 -0.292 0.538 359 G N 0.699 109.450 108.800 -0.081 0.000 2.646 359 G HA2 0.143 nan 3.960 nan 0.000 0.291 359 G HA3 0.143 nan 3.960 nan 0.000 0.291 359 G C -1.899 172.986 174.900 -0.025 0.000 1.445 359 G CA -0.474 44.564 45.100 -0.103 0.000 0.814 359 G HN -0.842 7.428 8.290 -0.032 0.000 0.495 360 F N -0.988 118.971 119.950 0.016 0.000 2.410 360 F HA 0.069 nan 4.527 nan 0.000 0.334 360 F C 0.756 176.554 175.800 -0.004 0.000 1.134 360 F CA -1.283 56.727 58.000 0.018 0.000 1.227 360 F CB 0.866 39.875 39.000 0.015 0.000 1.194 360 F HN 0.267 8.587 8.300 0.034 0.000 0.571 361 S N 3.334 119.126 115.700 0.154 0.000 2.558 361 S HA -0.274 nan 4.470 nan 0.000 0.291 361 S C -0.216 174.228 174.600 -0.261 0.000 1.306 361 S CA 2.664 60.725 58.200 -0.232 0.000 1.056 361 S CB 0.129 63.237 63.200 -0.153 0.000 0.836 361 S HN 0.184 8.635 8.310 0.235 0.000 0.504 362 Q N -3.719 115.739 119.800 -0.570 0.000 2.400 362 Q HA -0.311 nan 4.340 nan 0.000 0.206 362 Q C -1.106 174.878 176.000 -0.026 0.000 0.638 362 Q CA 1.430 57.103 55.803 -0.218 0.000 1.330 362 Q CB -1.308 27.377 28.738 -0.089 0.000 1.274 362 Q HN 0.506 7.941 8.270 -1.392 0.000 0.870 363 T N -3.281 111.310 114.554 0.062 0.000 2.767 363 T HA 0.681 nan 4.350 nan 0.000 0.288 363 T C -1.052 173.695 174.700 0.078 0.000 0.963 363 T CA -1.628 60.510 62.100 0.063 0.000 1.019 363 T CB 1.077 69.958 68.868 0.022 0.000 0.923 363 T HN -0.549 7.668 8.240 0.056 0.057 0.468 364 S N 4.590 120.284 115.700 -0.009 0.000 2.638 364 S HA 0.695 nan 4.470 nan 0.000 0.274 364 S C -2.039 172.520 174.600 -0.068 0.000 1.157 364 S CA -0.945 57.224 58.200 -0.052 0.000 0.826 364 S CB 3.416 66.590 63.200 -0.043 0.000 1.139 364 S HN 1.001 9.302 8.310 -0.014 0.000 0.474 365 Q N -1.206 118.514 119.800 -0.133 0.000 2.399 365 Q HA 0.890 nan 4.340 nan 0.000 0.276 365 Q C -1.499 174.360 176.000 -0.236 0.000 1.098 365 Q CA -1.095 54.608 55.803 -0.167 0.000 0.827 365 Q CB 4.953 33.442 28.738 -0.415 0.000 1.386 365 Q HN 0.424 8.588 8.270 -0.177 0.000 0.443 366 I N 0.877 121.353 120.570 -0.156 0.000 2.439 366 I HA 0.391 nan 4.170 nan 0.000 0.285 366 I C -1.654 174.378 176.117 -0.142 0.000 1.021 366 I CA -0.830 60.428 61.300 -0.069 0.000 1.091 366 I CB 1.959 40.077 38.000 0.195 0.000 1.242 366 I HN 0.159 8.348 8.210 -0.035 0.000 0.439 367 H N 8.383 127.470 119.070 0.027 0.000 2.552 367 H HA 0.527 nan 4.556 nan 0.000 0.311 367 H C -1.654 173.672 175.328 -0.003 0.000 1.071 367 H CA -1.468 54.579 56.048 -0.002 0.000 1.307 367 H CB 0.898 30.627 29.762 -0.055 0.000 1.416 367 H HN 1.080 9.152 8.280 -0.158 0.114 0.464 368 K N 5.274 125.736 120.400 0.103 0.000 2.281 368 K HA 0.318 nan 4.320 nan 0.000 0.272 368 K C -1.927 174.712 176.600 0.066 0.000 1.048 368 K CA -1.087 55.201 56.287 0.002 0.000 0.898 368 K CB 1.317 33.795 32.500 -0.037 0.000 1.128 368 K HN 0.871 9.100 8.250 0.141 0.105 0.460 369 K N 8.081 128.541 120.400 0.100 0.000 2.624 369 K HA 0.259 nan 4.320 nan 0.000 0.200 369 K C -2.279 174.414 176.600 0.155 0.000 1.036 369 K CA -1.166 55.191 56.287 0.117 0.000 1.029 369 K CB 1.129 33.692 32.500 0.105 0.000 1.317 369 K HN 0.319 8.638 8.250 0.115 0.000 0.555 370 D N 1.480 121.953 120.400 0.122 0.000 2.602 370 D HA 0.181 nan 4.640 nan 0.000 0.265 370 D C 0.986 177.251 176.300 -0.057 0.000 1.454 370 D CA -0.453 53.538 54.000 -0.015 0.000 0.795 370 D CB -0.117 40.791 40.800 0.179 0.000 1.140 370 D HN 0.135 8.584 8.370 0.130 0.000 0.486 371 S N 1.069 116.774 115.700 0.008 0.000 2.447 371 S HA -0.251 nan 4.470 nan 0.000 0.233 371 S C 1.326 175.846 174.600 -0.133 0.000 1.006 371 S CA 3.679 61.832 58.200 -0.080 0.000 0.957 371 S CB -0.312 62.878 63.200 -0.017 0.000 0.773 371 S HN -0.399 7.957 8.310 0.076 0.000 0.507 372 H N -0.830 118.192 119.070 -0.081 0.000 2.489 372 H HA -0.112 nan 4.556 nan 0.000 0.293 372 H C 0.609 175.871 175.328 -0.110 0.000 1.066 372 H CA 1.828 57.822 56.048 -0.091 0.000 1.305 372 H CB -0.786 28.932 29.762 -0.075 0.000 1.386 372 H HN 0.333 8.609 8.280 0.053 0.036 0.551 373 I N -8.324 112.014 120.570 -0.387 0.000 3.856 373 I HA 0.319 nan 4.170 nan 0.000 0.330 373 I C -0.683 175.221 176.117 -0.356 0.000 1.546 373 I CA -1.827 59.308 61.300 -0.275 0.000 1.132 373 I CB 0.101 37.931 38.000 -0.284 0.000 1.157 373 I HN -0.677 7.164 8.210 -0.556 0.035 0.440 374 K N 1.595 121.636 120.400 -0.598 0.000 2.286 374 K HA -0.274 nan 4.320 nan 0.000 0.203 374 K C 1.482 177.684 176.600 -0.664 0.000 1.045 374 K CA 2.617 58.188 56.287 -1.192 0.000 0.935 374 K CB -0.183 31.814 32.500 -0.838 0.000 0.737 374 K HN -0.286 7.517 8.250 -0.435 0.186 0.460 375 G N -0.766 107.847 108.800 -0.312 0.000 2.454 375 G HA2 -0.264 nan 3.960 nan 0.000 0.214 375 G HA3 -0.264 nan 3.960 nan 0.000 0.214 375 G C -0.115 174.744 174.900 -0.068 0.000 1.217 375 G CA 0.355 45.363 45.100 -0.153 0.000 0.799 375 G HN -0.114 7.970 8.290 -0.274 0.041 0.538 376 Q N 0.242 120.018 119.800 -0.040 0.000 2.475 376 Q HA -0.229 nan 4.340 nan 0.000 0.375 376 Q C 1.295 177.337 176.000 0.070 0.000 1.282 376 Q CA 0.478 56.292 55.803 0.019 0.000 1.078 376 Q CB 0.130 28.880 28.738 0.019 0.000 1.227 376 Q HN -0.325 7.901 8.270 -0.074 0.000 0.444 377 L N 2.200 123.445 121.223 0.036 0.000 2.240 377 L HA -0.162 nan 4.340 nan 0.000 0.211 377 L C 0.098 176.992 176.870 0.041 0.000 1.106 377 L CA 2.525 57.382 54.840 0.028 0.000 0.793 377 L CB -0.567 41.489 42.059 -0.006 0.000 0.927 377 L HN 0.352 8.590 8.230 0.014 0.000 0.446 378 R N -4.967 115.566 120.500 0.056 0.000 2.189 378 R HA -0.177 nan 4.340 nan 0.000 0.218 378 R C 0.154 176.546 176.300 0.153 0.000 1.074 378 R CA 0.473 56.622 56.100 0.082 0.000 0.991 378 R CB -0.943 29.396 30.300 0.065 0.000 0.883 378 R HN -0.167 8.102 8.270 0.043 0.027 0.457 379 Y N 2.548 122.863 120.300 0.026 0.000 2.650 379 Y HA -0.239 nan 4.550 nan 0.000 0.331 379 Y C -1.417 174.544 175.900 0.102 0.000 1.165 379 Y CA -0.152 57.988 58.100 0.066 0.000 1.473 379 Y CB -0.125 38.326 38.460 -0.016 0.000 1.224 379 Y HN -0.755 7.483 8.280 0.220 0.174 0.533 380 C N 10.934 129.998 119.300 -0.392 0.000 2.289 380 C HA 0.190 nan 4.460 nan 0.000 0.340 380 C C -1.301 173.267 174.990 -0.705 0.000 1.152 380 C CA -2.474 56.286 59.018 -0.429 0.000 1.650 380 C CB -0.634 26.930 27.740 -0.293 0.000 2.203 380 C HN 0.612 8.898 8.230 0.093 0.000 0.511 381 D N 6.750 126.827 120.400 -0.538 0.000 2.377 381 D HA -0.024 nan 4.640 nan 0.000 0.245 381 D C 0.203 176.575 176.300 0.121 0.000 1.196 381 D CA -0.141 53.743 54.000 -0.194 0.000 0.962 381 D CB 1.245 42.108 40.800 0.105 0.000 1.127 381 D HN -0.076 8.023 8.370 -0.452 0.000 0.471 382 H N 0.402 119.559 119.070 0.146 0.000 2.353 382 H HA -0.438 nan 4.556 nan 0.000 0.298 382 H C 1.927 177.400 175.328 0.242 0.000 1.103 382 H CA 4.023 60.214 56.048 0.239 0.000 1.293 382 H CB 0.297 30.183 29.762 0.208 0.000 1.372 382 H HN 0.633 9.118 8.280 0.341 0.000 0.501 383 K N -2.741 117.766 120.400 0.179 0.000 2.103 383 K HA -0.374 nan 4.320 nan 0.000 0.207 383 K C 2.444 179.035 176.600 -0.015 0.000 1.048 383 K CA 3.029 59.353 56.287 0.062 0.000 0.930 383 K CB -0.327 32.258 32.500 0.141 0.000 0.716 383 K HN -0.389 8.153 8.250 0.298 -0.113 0.444 384 H N -1.504 117.560 119.070 -0.010 0.000 2.384 384 H HA -0.087 nan 4.556 nan 0.000 0.300 384 H C 1.817 177.105 175.328 -0.066 0.000 1.057 384 H CA 3.314 59.342 56.048 -0.033 0.000 1.370 384 H CB 0.399 30.144 29.762 -0.027 0.000 1.417 384 H HN -0.660 7.921 8.280 0.361 -0.085 0.527 385 F N 0.249 120.167 119.950 -0.053 0.000 2.325 385 F HA -0.259 nan 4.527 nan 0.000 0.299 385 F C 1.344 177.007 175.800 -0.228 0.000 1.090 385 F CA 2.967 60.859 58.000 -0.179 0.000 1.392 385 F CB 0.573 39.423 39.000 -0.250 0.000 1.053 385 F HN 0.355 8.616 8.300 0.241 0.183 0.521 386 N N -0.913 117.710 118.700 -0.129 0.000 2.422 386 N HA -0.176 nan 4.740 nan 0.000 0.181 386 N C 1.488 176.988 175.510 -0.017 0.000 1.080 386 N CA 2.063 55.066 53.050 -0.080 0.000 0.893 386 N CB -0.133 38.205 38.487 -0.249 0.000 0.973 386 N HN 0.498 8.676 8.380 -0.125 0.127 0.456 387 N N -0.605 118.038 118.700 -0.097 0.000 2.171 387 N HA -0.199 nan 4.740 nan 0.000 0.184 387 N C 1.418 176.865 175.510 -0.106 0.000 1.021 387 N CA 2.886 55.875 53.050 -0.101 0.000 0.854 387 N CB 0.253 38.650 38.487 -0.150 0.000 0.994 387 N HN -0.770 7.379 8.380 -0.121 0.158 0.426 388 S N -0.597 115.011 115.700 -0.153 0.000 2.345 388 S HA -0.237 nan 4.470 nan 0.000 0.220 388 S C 1.827 176.410 174.600 -0.028 0.000 1.031 388 S CA 3.508 61.626 58.200 -0.138 0.000 0.996 388 S CB 0.191 63.206 63.200 -0.308 0.000 0.882 388 S HN -0.744 7.441 8.310 -0.208 0.000 0.445 389 F N 3.018 122.834 119.950 -0.224 0.000 2.087 389 F HA -0.419 nan 4.527 nan 0.000 0.299 389 F C 0.553 176.351 175.800 -0.002 0.000 1.100 389 F CA 3.347 61.304 58.000 -0.071 0.000 1.226 389 F CB 0.125 39.124 39.000 -0.001 0.000 0.983 389 F HN -0.369 7.872 8.300 -0.099 0.000 0.479 390 N N -1.684 117.066 118.700 0.082 0.000 2.521 390 N HA -0.143 nan 4.740 nan 0.000 0.188 390 N C 1.086 176.481 175.510 -0.192 0.000 1.146 390 N CA 2.026 55.041 53.050 -0.060 0.000 0.893 390 N CB -0.014 38.489 38.487 0.028 0.000 0.975 390 N HN -0.594 7.796 8.380 0.153 0.082 0.451 391 L N -2.246 118.792 121.223 -0.309 0.000 2.162 391 L HA -0.163 nan 4.340 nan 0.000 0.205 391 L C 0.891 177.277 176.870 -0.806 0.000 1.086 391 L CA 2.734 57.202 54.840 -0.620 0.000 0.778 391 L CB 0.416 41.915 42.059 -0.934 0.000 0.928 391 L HN 0.309 8.191 8.230 -0.222 0.215 0.446 392 F N -5.720 114.137 119.950 -0.155 0.000 2.717 392 F HA 0.085 nan 4.527 nan 0.000 0.297 392 F C 0.297 175.971 175.800 -0.211 0.000 1.113 392 F CA -0.188 57.720 58.000 -0.153 0.000 1.319 392 F CB 0.828 39.748 39.000 -0.134 0.000 1.097 392 F HN -0.895 7.253 8.300 -0.254 0.000 0.595 393 M N 0.612 120.077 119.600 -0.226 0.000 2.217 393 M HA -0.059 nan 4.480 nan 0.000 0.354 393 M C 0.084 176.289 176.300 -0.158 0.000 1.225 393 M CA -0.188 54.910 55.300 -0.335 0.000 1.137 393 M CB 1.095 33.204 32.600 -0.820 0.000 1.576 393 M HN -0.414 7.701 8.290 -0.292 0.000 0.461 394 S N 4.286 119.943 115.700 -0.071 0.000 2.579 394 S HA 0.006 nan 4.470 nan 0.000 0.275 394 S C 0.117 174.714 174.600 -0.004 0.000 1.345 394 S CA 0.494 58.683 58.200 -0.019 0.000 1.031 394 S CB 0.884 64.098 63.200 0.024 0.000 0.892 394 S HN 0.128 8.404 8.310 -0.057 0.000 0.529 395 T N -1.108 113.448 114.554 0.002 0.000 3.160 395 T HA 0.024 nan 4.350 nan 0.000 0.257 395 T C -0.630 174.099 174.700 0.048 0.000 1.147 395 T CA 0.364 62.474 62.100 0.016 0.000 1.064 395 T CB -0.345 68.525 68.868 0.004 0.000 0.949 395 T HN 0.261 8.499 8.240 -0.004 0.000 0.526 396 S N 0.659 116.399 115.700 0.067 0.000 2.386 396 S HA 0.468 nan 4.470 nan 0.000 0.152 396 S C -2.500 172.194 174.600 0.156 0.000 1.511 396 S CA -2.029 56.231 58.200 0.101 0.000 1.246 396 S CB 0.423 63.660 63.200 0.061 0.000 1.338 396 S HN -0.647 7.599 8.310 0.058 0.099 0.409 397 P HA 0.063 nan 4.420 nan 0.000 0.269 397 P C -2.094 175.461 177.300 0.425 0.000 1.215 397 P CA -0.184 63.083 63.100 0.279 0.000 0.780 397 P CB 0.458 32.311 31.700 0.255 0.000 0.898 398 F N 1.490 121.572 119.950 0.220 0.000 2.472 398 F HA -0.058 nan 4.527 nan 0.000 0.364 398 F C -0.484 175.548 175.800 0.386 0.000 1.090 398 F CA -1.456 56.677 58.000 0.222 0.000 1.188 398 F CB 0.425 39.495 39.000 0.117 0.000 1.105 398 F HN -0.076 8.488 8.300 0.440 0.000 0.536 399 Y N 6.408 126.721 120.300 0.022 0.000 2.163 399 Y HA -0.160 nan 4.550 nan 0.000 0.288 399 Y C -0.587 175.282 175.900 -0.051 0.000 1.136 399 Y CA 3.538 61.665 58.100 0.045 0.000 1.147 399 Y CB -3.141 35.392 38.460 0.121 0.000 0.987 399 Y HN 0.301 8.845 8.280 0.441 0.000 0.509 400 P HA -0.253 nan 4.420 nan 0.000 0.219 400 P C 1.092 178.358 177.300 -0.058 0.000 1.146 400 P CA 3.392 66.347 63.100 -0.242 0.000 0.808 400 P CB -0.481 30.880 31.700 -0.564 0.000 0.779 401 M N -4.912 114.570 119.600 -0.195 0.000 2.562 401 M HA -0.161 nan 4.480 nan 0.000 0.257 401 M C 1.221 177.633 176.300 0.186 0.000 1.099 401 M CA 2.210 57.619 55.300 0.181 0.000 1.099 401 M CB -0.047 32.722 32.600 0.283 0.000 1.427 401 M HN -0.463 7.416 8.290 -0.643 0.025 0.489 402 Y N 0.255 120.576 120.300 0.034 0.000 2.347 402 Y HA -0.272 nan 4.550 nan 0.000 0.294 402 Y C 0.738 176.643 175.900 0.010 0.000 1.117 402 Y CA 3.461 61.527 58.100 -0.056 0.000 1.184 402 Y CB 1.018 39.368 38.460 -0.184 0.000 1.047 402 Y HN -0.061 8.188 8.280 0.284 0.201 0.546 403 A N -1.451 121.630 122.820 0.435 0.000 2.070 403 A HA -0.387 nan 4.320 nan 0.000 0.220 403 A C 1.271 178.891 177.584 0.059 0.000 1.159 403 A CA 2.704 54.988 52.037 0.411 0.000 0.656 403 A CB -1.227 18.016 19.000 0.405 0.000 0.800 403 A HN -0.062 8.367 8.150 0.467 0.000 0.453 404 A N -1.783 121.014 122.820 -0.039 0.000 1.929 404 A HA -0.184 nan 4.320 nan 0.000 0.216 404 A C 1.917 179.369 177.584 -0.220 0.000 1.176 404 A CA 2.783 54.701 52.037 -0.198 0.000 0.628 404 A CB -0.796 18.070 19.000 -0.224 0.000 0.816 404 A HN -0.387 7.668 8.150 0.055 0.129 0.444 405 L N -2.243 118.780 121.223 -0.333 0.000 2.201 405 L HA -0.366 nan 4.340 nan 0.000 0.212 405 L C 1.945 178.627 176.870 -0.313 0.000 1.105 405 L CA 2.510 57.008 54.840 -0.570 0.000 0.775 405 L CB -0.332 40.866 42.059 -1.435 0.000 0.913 405 L HN -0.561 7.384 8.230 -0.327 0.089 0.440 406 D N -0.123 120.220 120.400 -0.095 0.000 2.091 406 D HA -0.165 nan 4.640 nan 0.000 0.199 406 D C 2.283 178.679 176.300 0.160 0.000 0.980 406 D CA 3.295 57.425 54.000 0.217 0.000 0.831 406 D CB 0.293 41.315 40.800 0.370 0.000 0.987 406 D HN -0.637 7.528 8.370 -0.139 0.122 0.460 407 V N -0.729 119.203 119.914 0.030 0.000 2.759 407 V HA -0.360 nan 4.120 nan 0.000 0.256 407 V C 2.009 178.083 176.094 -0.034 0.000 1.080 407 V CA 3.504 65.782 62.300 -0.037 0.000 1.101 407 V CB -0.779 30.909 31.823 -0.226 0.000 0.698 407 V HN 0.058 8.237 8.190 -0.018 0.000 0.477 408 N N -0.373 118.305 118.700 -0.037 0.000 2.188 408 N HA -0.273 nan 4.740 nan 0.000 0.184 408 N C 1.394 176.935 175.510 0.053 0.000 1.018 408 N CA 3.324 56.370 53.050 -0.007 0.000 0.858 408 N CB -0.160 38.325 38.487 -0.002 0.000 0.989 408 N HN -0.227 8.095 8.380 -0.068 0.017 0.426 409 A N -1.045 121.840 122.820 0.109 0.000 1.877 409 A HA -0.211 nan 4.320 nan 0.000 0.216 409 A C 1.806 179.397 177.584 0.012 0.000 1.186 409 A CA 2.846 54.931 52.037 0.080 0.000 0.620 409 A CB -0.897 18.165 19.000 0.104 0.000 0.822 409 A HN -0.727 7.403 8.150 0.124 0.095 0.443 410 A N -1.890 121.031 122.820 0.168 0.000 1.930 410 A HA -0.240 nan 4.320 nan 0.000 0.217 410 A C 1.490 179.075 177.584 0.002 0.000 1.175 410 A CA 2.550 54.681 52.037 0.158 0.000 0.627 410 A CB -0.694 18.392 19.000 0.143 0.000 0.815 410 A HN -0.748 7.527 8.150 0.209 0.000 0.443 411 M N -3.374 116.207 119.600 -0.031 0.000 2.279 411 M HA -0.323 nan 4.480 nan 0.000 0.264 411 M C 1.281 177.512 176.300 -0.114 0.000 1.062 411 M CA 2.765 58.021 55.300 -0.073 0.000 1.099 411 M CB 0.219 32.774 32.600 -0.075 0.000 1.394 411 M HN -0.562 7.724 8.290 -0.007 0.000 0.426 412 Q N -5.475 114.206 119.800 -0.198 0.000 2.339 412 Q HA 0.043 nan 4.340 nan 0.000 0.205 412 Q C 0.364 176.064 176.000 -0.501 0.000 0.925 412 Q CA -0.102 55.404 55.803 -0.494 0.000 0.898 412 Q CB 0.622 28.844 28.738 -0.860 0.000 1.013 412 Q HN -0.709 7.327 8.270 -0.152 0.142 0.504 413 E N 0.566 120.604 120.200 -0.270 0.000 2.384 413 E HA -0.155 nan 4.350 nan 0.000 0.266 413 E C -0.244 176.320 176.600 -0.060 0.000 1.012 413 E CA 0.656 56.971 56.400 -0.142 0.000 0.901 413 E CB 0.680 30.355 29.700 -0.041 0.000 0.967 413 E HN -0.662 7.476 8.360 -0.202 0.100 0.435 414 G N 4.524 113.308 108.800 -0.025 0.000 2.781 414 G HA2 -0.324 nan 3.960 nan 0.000 0.683 414 G HA3 -0.324 nan 3.960 nan 0.000 0.683 414 G C -0.394 174.521 174.900 0.026 0.000 1.390 414 G CA -0.475 44.634 45.100 0.014 0.000 0.850 414 G HN -0.053 8.219 8.290 -0.029 0.000 0.557 415 E N 0.459 120.682 120.200 0.038 0.000 2.160 415 E HA -0.395 nan 4.350 nan 0.000 0.195 415 E C 1.509 178.141 176.600 0.054 0.000 0.991 415 E CA 3.126 59.550 56.400 0.039 0.000 0.810 415 E CB -0.113 29.600 29.700 0.022 0.000 0.742 415 E HN 0.604 8.986 8.360 0.037 0.000 0.466 416 A N -1.944 120.928 122.820 0.086 0.000 1.908 416 A HA -0.213 nan 4.320 nan 0.000 0.218 416 A C 2.179 179.836 177.584 0.121 0.000 1.181 416 A CA 2.893 55.021 52.037 0.152 0.000 0.627 416 A CB -1.105 18.081 19.000 0.309 0.000 0.818 416 A HN 0.270 8.464 8.150 0.089 0.009 0.445 417 G N -1.594 107.243 108.800 0.062 0.000 2.414 417 G HA2 -0.306 nan 3.960 nan 0.000 0.215 417 G HA3 -0.306 nan 3.960 nan 0.000 0.215 417 G C 1.159 176.111 174.900 0.087 0.000 1.188 417 G CA 1.585 46.692 45.100 0.012 0.000 0.783 417 G HN -0.692 7.538 8.290 0.046 0.087 0.537 418 R N -0.069 120.488 120.500 0.095 0.000 2.328 418 R HA -0.238 nan 4.340 nan 0.000 0.207 418 R C 1.989 178.405 176.300 0.193 0.000 1.056 418 R CA 2.309 58.525 56.100 0.194 0.000 1.016 418 R CB -0.517 29.878 30.300 0.158 0.000 0.872 418 R HN 0.195 8.492 8.270 0.045 0.000 0.471 419 K N 0.355 120.827 120.400 0.121 0.000 2.211 419 K HA -0.105 nan 4.320 nan 0.000 0.201 419 K C 1.544 178.204 176.600 0.101 0.000 1.052 419 K CA 2.031 58.369 56.287 0.086 0.000 0.973 419 K CB -0.217 32.298 32.500 0.024 0.000 0.766 419 K HN -0.165 7.952 8.250 0.098 0.192 0.466 420 L N 0.470 121.724 121.223 0.053 0.000 2.046 420 L HA -0.288 nan 4.340 nan 0.000 0.208 420 L C 1.883 178.670 176.870 -0.138 0.000 1.077 420 L CA 2.945 57.745 54.840 -0.066 0.000 0.747 420 L CB -0.420 41.545 42.059 -0.156 0.000 0.896 420 L HN -0.584 7.583 8.230 0.068 0.104 0.432 421 W N -3.381 117.935 121.300 0.027 0.000 2.381 421 W HA -0.362 nan 4.660 nan 0.000 0.301 421 W C 1.962 178.484 176.519 0.006 0.000 1.205 421 W CA 4.087 61.435 57.345 0.006 0.000 1.285 421 W CB -0.211 29.268 29.460 0.032 0.000 1.133 421 W HN -0.771 7.497 8.180 0.148 0.000 0.521 422 H N -0.343 118.843 119.070 0.193 0.000 2.290 422 H HA -0.445 nan 4.556 nan 0.000 0.298 422 H C 2.070 177.426 175.328 0.046 0.000 1.087 422 H CA 4.097 60.203 56.048 0.098 0.000 1.291 422 H CB 0.034 29.834 29.762 0.064 0.000 1.369 422 H HN -0.836 7.681 8.280 0.394 0.000 0.492 423 D N -0.802 119.660 120.400 0.103 0.000 2.172 423 D HA -0.362 nan 4.640 nan 0.000 0.196 423 D C 2.327 178.574 176.300 -0.088 0.000 0.999 423 D CA 3.125 57.133 54.000 0.014 0.000 0.856 423 D CB -0.414 40.414 40.800 0.047 0.000 0.934 423 D HN -0.528 7.986 8.370 0.240 0.000 0.453 424 L N -0.979 120.196 121.223 -0.080 0.000 2.093 424 L HA -0.184 nan 4.340 nan 0.000 0.208 424 L C 1.321 178.153 176.870 -0.063 0.000 1.085 424 L CA 2.989 57.781 54.840 -0.080 0.000 0.755 424 L CB -0.058 41.941 42.059 -0.100 0.000 0.904 424 L HN -0.782 7.305 8.230 -0.052 0.112 0.435 425 L N -1.356 119.805 121.223 -0.103 0.000 2.131 425 L HA -0.276 nan 4.340 nan 0.000 0.210 425 L C 2.669 179.485 176.870 -0.089 0.000 1.092 425 L CA 2.763 57.537 54.840 -0.110 0.000 0.759 425 L CB -1.615 40.329 42.059 -0.191 0.000 0.903 425 L HN -0.346 7.711 8.230 -0.115 0.104 0.435 426 I N -1.533 118.931 120.570 -0.176 0.000 2.315 426 I HA -0.414 nan 4.170 nan 0.000 0.248 426 I C 2.567 178.668 176.117 -0.027 0.000 1.117 426 I CA 2.930 64.163 61.300 -0.112 0.000 1.404 426 I CB -1.628 36.288 38.000 -0.140 0.000 1.071 426 I HN -0.436 7.495 8.210 -0.262 0.122 0.419 427 T N 3.157 117.696 114.554 -0.025 0.000 2.698 427 T HA -0.198 nan 4.350 nan 0.000 0.260 427 T C 2.017 176.745 174.700 0.047 0.000 1.044 427 T CA 5.131 67.228 62.100 -0.004 0.000 1.149 427 T CB -0.264 68.583 68.868 -0.035 0.000 0.864 427 T HN -0.476 7.646 8.240 -0.052 0.087 0.419 428 T N 5.071 119.669 114.554 0.073 0.000 2.665 428 T HA -0.314 nan 4.350 nan 0.000 0.268 428 T C 1.767 176.669 174.700 0.337 0.000 1.035 428 T CA 5.469 67.689 62.100 0.199 0.000 1.151 428 T CB -0.556 68.440 68.868 0.213 0.000 0.862 428 T HN -0.204 8.056 8.240 0.034 0.000 0.438 429 I N -1.023 119.725 120.570 0.295 0.000 2.454 429 I HA -0.418 nan 4.170 nan 0.000 0.254 429 I C 1.700 177.971 176.117 0.256 0.000 1.156 429 I CA 3.982 65.501 61.300 0.364 0.000 1.433 429 I CB -0.161 37.972 38.000 0.222 0.000 1.082 429 I HN -0.106 8.225 8.210 0.202 0.000 0.432 430 E N -1.067 119.230 120.200 0.161 0.000 2.122 430 E HA -0.209 nan 4.350 nan 0.000 0.190 430 E C 1.947 178.633 176.600 0.143 0.000 0.977 430 E CA 2.832 59.301 56.400 0.116 0.000 0.820 430 E CB -0.421 29.313 29.700 0.057 0.000 0.770 430 E HN -0.837 7.473 8.360 0.131 0.128 0.462 431 A N 0.130 123.052 122.820 0.170 0.000 1.883 431 A HA -0.316 nan 4.320 nan 0.000 0.217 431 A C 2.219 179.962 177.584 0.265 0.000 1.186 431 A CA 3.329 55.478 52.037 0.185 0.000 0.624 431 A CB -0.714 18.367 19.000 0.136 0.000 0.822 431 A HN 0.355 8.529 8.150 0.167 0.076 0.444 432 R N -2.810 117.887 120.500 0.329 0.000 2.096 432 R HA -0.366 nan 4.340 nan 0.000 0.235 432 R C 2.574 178.963 176.300 0.148 0.000 1.127 432 R CA 3.525 59.730 56.100 0.173 0.000 0.968 432 R CB -0.256 30.095 30.300 0.084 0.000 0.861 432 R HN -0.360 8.149 8.270 0.398 0.000 0.440 433 K N -0.498 120.031 120.400 0.214 0.000 2.026 433 K HA -0.327 nan 4.320 nan 0.000 0.208 433 K C 1.900 178.563 176.600 0.104 0.000 1.048 433 K CA 3.480 59.869 56.287 0.170 0.000 0.929 433 K CB -0.339 32.247 32.500 0.144 0.000 0.713 433 K HN -0.619 7.784 8.250 0.253 0.000 0.439 434 K N -0.074 120.386 120.400 0.100 0.000 2.032 434 K HA -0.303 nan 4.320 nan 0.000 0.209 434 K C 2.582 179.224 176.600 0.069 0.000 1.048 434 K CA 3.324 59.656 56.287 0.074 0.000 0.927 434 K CB -0.209 32.334 32.500 0.071 0.000 0.712 434 K HN -0.461 7.860 8.250 0.118 0.000 0.441 435 L N -1.660 119.615 121.223 0.086 0.000 2.017 435 L HA -0.368 nan 4.340 nan 0.000 0.208 435 L C 2.122 179.014 176.870 0.037 0.000 1.073 435 L CA 3.082 57.966 54.840 0.073 0.000 0.745 435 L CB -0.040 42.075 42.059 0.094 0.000 0.894 435 L HN -0.175 8.122 8.230 0.112 0.000 0.432 436 I N -1.559 119.027 120.570 0.026 0.000 2.252 436 I HA -0.510 nan 4.170 nan 0.000 0.245 436 I C 2.789 178.913 176.117 0.012 0.000 1.102 436 I CA 3.866 65.169 61.300 0.004 0.000 1.385 436 I CB -0.224 37.777 38.000 0.002 0.000 1.064 436 I HN -0.148 8.086 8.210 0.040 0.000 0.414 437 K N -0.871 119.546 120.400 0.028 0.000 2.217 437 K HA -0.214 nan 4.320 nan 0.000 0.202 437 K C 1.404 178.013 176.600 0.014 0.000 1.051 437 K CA 2.577 58.877 56.287 0.022 0.000 0.952 437 K CB -0.174 32.343 32.500 0.029 0.000 0.736 437 K HN 0.375 8.650 8.250 0.042 0.000 0.453 438 A N -2.739 120.093 122.820 0.019 0.000 2.119 438 A HA 0.002 nan 4.320 nan 0.000 0.217 438 A C 0.187 177.772 177.584 0.001 0.000 1.153 438 A CA 0.619 52.665 52.037 0.016 0.000 0.692 438 A CB 0.023 19.040 19.000 0.028 0.000 0.799 438 A HN -0.196 7.944 8.150 0.027 0.026 0.458 439 G N -2.619 106.176 108.800 -0.008 0.000 2.131 439 G HA2 -0.331 nan 3.960 nan 0.000 0.223 439 G HA3 -0.331 nan 3.960 nan 0.000 0.223 439 G C 0.181 175.046 174.900 -0.058 0.000 0.990 439 G CA -0.448 44.634 45.100 -0.030 0.000 0.671 439 G HN -0.620 7.507 8.290 -0.003 0.161 0.521 440 S N 0.774 116.446 115.700 -0.046 0.000 2.563 440 S HA -0.073 nan 4.470 nan 0.000 0.284 440 S C 1.053 175.525 174.600 -0.213 0.000 1.331 440 S CA 0.913 59.055 58.200 -0.098 0.000 1.047 440 S CB 0.655 63.865 63.200 0.018 0.000 0.859 440 S HN -0.505 7.797 8.310 -0.014 0.000 0.514 441 M N 1.847 121.155 119.600 -0.487 0.000 2.541 441 M HA 0.126 nan 4.480 nan 0.000 0.252 441 M C -0.371 175.603 176.300 -0.544 0.000 1.125 441 M CA 1.228 56.208 55.300 -0.535 0.000 1.091 441 M CB 0.879 33.085 32.600 -0.656 0.000 1.420 441 M HN 0.049 8.143 8.290 -0.640 -0.188 0.486 442 F N 0.603 120.557 119.950 0.006 0.000 2.361 442 F HA 0.080 nan 4.527 nan 0.000 0.364 442 F C -0.880 174.911 175.800 -0.014 0.000 1.120 442 F CA -0.844 57.162 58.000 0.009 0.000 1.102 442 F CB 0.053 39.077 39.000 0.040 0.000 1.183 442 F HN -0.738 7.180 8.300 -0.538 0.059 0.476 443 R N 4.881 125.426 120.500 0.075 0.000 2.562 443 R HA 0.469 nan 4.340 nan 0.000 0.298 443 R C -2.031 174.241 176.300 -0.046 0.000 0.961 443 R CA -4.089 52.005 56.100 -0.010 0.000 0.881 443 R CB 3.308 33.584 30.300 -0.040 0.000 1.159 443 R HN -0.017 8.304 8.270 0.085 0.000 0.450 444 P HA -0.045 nan 4.420 nan 0.000 0.264 444 P C -1.016 176.200 177.300 -0.140 0.000 1.193 444 P CA -0.016 62.935 63.100 -0.248 0.000 0.763 444 P CB 0.111 31.532 31.700 -0.465 0.000 0.810 445 F N 6.896 126.745 119.950 -0.168 0.000 2.685 445 F HA -0.093 nan 4.527 nan 0.000 0.349 445 F C -1.429 174.369 175.800 -0.003 0.000 1.294 445 F CA -0.091 57.920 58.000 0.018 0.000 1.201 445 F CB -1.162 37.911 39.000 0.121 0.000 1.615 445 F HN -0.435 7.940 8.300 0.125 0.000 0.674 446 V N 0.289 119.890 119.914 -0.520 0.000 3.040 446 V HA 0.553 nan 4.120 nan 0.000 0.312 446 V C -2.681 172.473 176.094 -1.566 0.000 1.115 446 V CA -4.910 56.781 62.300 -1.015 0.000 0.998 446 V CB 1.861 32.789 31.823 -1.492 0.000 1.042 446 V HN -0.406 7.492 8.190 -0.437 0.030 0.433 447 P HA 0.285 nan 4.420 nan 0.000 0.262 447 P C -1.582 175.202 177.300 -0.859 0.000 1.199 447 P CA -0.964 61.148 63.100 -1.647 0.000 0.763 447 P CB -0.958 30.300 31.700 -0.736 0.000 0.790 448 P HA -0.229 nan 4.420 nan 0.000 0.213 448 P C -0.961 176.240 177.300 -0.165 0.000 1.170 448 P CA 1.931 64.827 63.100 -0.339 0.000 0.902 448 P CB 0.300 31.859 31.700 -0.235 0.000 0.789 449 V N -3.121 116.687 119.914 -0.177 0.000 2.581 449 V HA 0.571 nan 4.120 nan 0.000 0.303 449 V C -1.167 174.831 176.094 -0.160 0.000 1.041 449 V CA -0.940 61.292 62.300 -0.112 0.000 0.907 449 V CB 2.512 34.286 31.823 -0.082 0.000 0.994 449 V HN -0.477 7.570 8.190 -0.239 0.000 0.442 450 V N 4.068 123.866 119.914 -0.193 0.000 2.752 450 V HA 0.337 nan 4.120 nan 0.000 0.302 450 V C -1.776 174.125 176.094 -0.322 0.000 1.133 450 V CA -0.400 61.693 62.300 -0.344 0.000 0.919 450 V CB 3.769 35.179 31.823 -0.688 0.000 1.026 450 V HN 0.705 8.807 8.190 -0.145 0.000 0.429 451 N N 4.274 122.828 118.700 -0.243 0.000 2.756 451 N HA -0.301 nan 4.740 nan 0.000 0.248 451 N C 0.960 176.410 175.510 -0.099 0.000 1.062 451 N CA 0.606 53.558 53.050 -0.162 0.000 0.696 451 N CB -0.940 37.438 38.487 -0.182 0.000 0.946 451 N HN 0.588 8.838 8.380 -0.217 0.000 0.548 452 G N -4.634 104.117 108.800 -0.082 0.000 2.746 452 G HA2 -0.414 nan 3.960 nan 0.000 0.236 452 G HA3 -0.414 nan 3.960 nan 0.000 0.236 452 G C -0.496 174.376 174.900 -0.046 0.000 1.172 452 G CA 0.796 45.865 45.100 -0.052 0.000 0.736 452 G HN 0.312 8.549 8.290 -0.089 0.000 0.519 453 K N 1.936 122.308 120.400 -0.047 0.000 2.098 453 K HA 0.234 nan 4.320 nan 0.000 0.244 453 K C -1.066 175.519 176.600 -0.027 0.000 1.014 453 K CA -1.527 54.744 56.287 -0.027 0.000 0.917 453 K CB 1.160 33.653 32.500 -0.012 0.000 1.072 453 K HN 0.040 8.154 8.250 -0.059 0.101 0.477 454 K N -1.259 119.140 120.400 -0.001 0.000 2.118 454 K HA 0.152 nan 4.320 nan 0.000 0.264 454 K C 1.135 177.791 176.600 0.092 0.000 1.000 454 K CA -0.517 55.785 56.287 0.024 0.000 0.929 454 K CB 0.529 33.042 32.500 0.022 0.000 1.021 454 K HN 0.006 8.258 8.250 0.002 0.000 0.463 455 W N 4.274 125.518 121.300 -0.094 0.000 2.277 455 W HA -0.577 nan 4.660 nan 0.000 0.327 455 W C 1.176 177.671 176.519 -0.040 0.000 1.284 455 W CA 4.855 62.170 57.345 -0.051 0.000 1.277 455 W CB 0.243 29.588 29.460 -0.192 0.000 1.141 455 W HN 1.045 9.209 8.180 0.175 0.120 0.482 456 E N -4.315 116.097 120.200 0.353 0.000 2.512 456 E HA -0.238 nan 4.350 nan 0.000 0.195 456 E C 0.357 176.977 176.600 0.034 0.000 1.083 456 E CA 1.050 57.583 56.400 0.221 0.000 0.873 456 E CB -1.582 28.255 29.700 0.229 0.000 0.897 456 E HN 0.146 8.704 8.360 0.331 0.000 0.514 457 D N 0.118 120.517 120.400 -0.001 0.000 2.501 457 D HA 0.189 nan 4.640 nan 0.000 0.226 457 D C -0.005 176.257 176.300 -0.064 0.000 1.198 457 D CA -0.238 53.748 54.000 -0.025 0.000 0.830 457 D CB 0.293 41.093 40.800 -0.001 0.000 1.014 457 D HN 0.108 8.281 8.370 0.020 0.209 0.496 458 G N -0.260 108.444 108.800 -0.162 0.000 2.488 458 G HA2 0.104 nan 3.960 nan 0.000 0.318 458 G HA3 0.104 nan 3.960 nan 0.000 0.318 458 G C -2.089 172.649 174.900 -0.269 0.000 1.188 458 G CA -1.332 43.631 45.100 -0.228 0.000 0.944 458 G HN -0.773 7.307 8.290 -0.231 0.072 0.495 459 D N -0.201 120.062 120.400 -0.229 0.000 2.339 459 D HA 0.014 nan 4.640 nan 0.000 0.256 459 D C 1.178 177.329 176.300 -0.247 0.000 1.214 459 D CA 0.362 54.258 54.000 -0.173 0.000 0.877 459 D CB 1.656 42.395 40.800 -0.102 0.000 1.111 459 D HN 0.133 8.387 8.370 -0.195 0.000 0.478 460 T N 3.073 117.509 114.554 -0.197 0.000 2.635 460 T HA -0.441 nan 4.350 nan 0.000 0.267 460 T C 1.060 175.676 174.700 -0.140 0.000 1.040 460 T CA 3.861 65.845 62.100 -0.193 0.000 1.156 460 T CB -0.479 68.325 68.868 -0.106 0.000 0.863 460 T HN 0.356 8.509 8.240 -0.146 0.000 0.430 461 E N 1.311 121.468 120.200 -0.071 0.000 2.267 461 E HA -0.315 nan 4.350 nan 0.000 0.197 461 E C 1.029 177.623 176.600 -0.010 0.000 0.998 461 E CA 2.366 58.766 56.400 0.000 0.000 0.830 461 E CB -0.850 28.874 29.700 0.041 0.000 0.751 461 E HN -0.078 8.245 8.360 -0.063 -0.001 0.491 462 D N -1.820 118.530 120.400 -0.084 0.000 2.120 462 D HA -0.105 nan 4.640 nan 0.000 0.202 462 D C 1.946 178.174 176.300 -0.119 0.000 0.972 462 D CA 2.508 56.463 54.000 -0.075 0.000 0.837 462 D CB 0.443 41.189 40.800 -0.090 0.000 0.989 462 D HN -0.351 7.927 8.370 -0.128 0.015 0.469 463 M N -0.919 118.474 119.600 -0.345 0.000 2.279 463 M HA -0.351 nan 4.480 nan 0.000 0.264 463 M C 2.079 178.467 176.300 0.148 0.000 1.062 463 M CA 3.560 58.631 55.300 -0.382 0.000 1.099 463 M CB -0.063 32.038 32.600 -0.832 0.000 1.394 463 M HN 0.177 8.152 8.290 -0.405 0.073 0.426 464 A N -3.127 119.719 122.820 0.044 0.000 2.206 464 A HA -0.149 nan 4.320 nan 0.000 0.211 464 A C 0.051 177.671 177.584 0.059 0.000 1.158 464 A CA 2.016 54.069 52.037 0.025 0.000 0.761 464 A CB -0.820 18.110 19.000 -0.116 0.000 0.801 464 A HN 0.003 7.993 8.150 -0.037 0.138 0.473 465 N N -4.805 113.956 118.700 0.102 0.000 2.113 465 N HA 0.065 nan 4.740 nan 0.000 0.223 465 N C -1.088 174.494 175.510 0.121 0.000 1.310 465 N CA 0.067 53.174 53.050 0.095 0.000 0.896 465 N CB 2.617 41.158 38.487 0.090 0.000 1.097 465 N HN -0.331 7.929 8.380 0.095 0.177 0.507 466 N N 1.337 120.156 118.700 0.199 0.000 2.527 466 N HA 0.125 nan 4.740 nan 0.000 0.236 466 N C 0.216 175.978 175.510 0.420 0.000 0.999 466 N CA -1.525 51.681 53.050 0.261 0.000 0.935 466 N CB 0.127 38.784 38.487 0.283 0.000 1.132 466 N HN -0.174 8.224 8.380 0.208 0.106 0.511 467 I N 6.657 127.416 120.570 0.315 0.000 2.530 467 I HA -0.392 nan 4.170 nan 0.000 0.257 467 I C 0.888 177.223 176.117 0.364 0.000 1.179 467 I CA 1.550 63.086 61.300 0.393 0.000 1.440 467 I CB 0.282 38.385 38.000 0.172 0.000 1.087 467 I HN 0.620 8.947 8.210 0.196 0.000 0.440 468 D N 1.224 121.753 120.400 0.214 0.000 2.190 468 D HA -0.321 nan 4.640 nan 0.000 0.200 468 D C 2.484 178.727 176.300 -0.095 0.000 0.992 468 D CA 3.482 57.504 54.000 0.036 0.000 0.854 468 D CB -0.447 40.291 40.800 -0.102 0.000 0.936 468 D HN -0.035 8.709 8.370 0.212 -0.246 0.462 469 Y N -3.002 117.193 120.300 -0.176 0.000 2.529 469 Y HA -0.171 nan 4.550 nan 0.000 0.290 469 Y C -0.608 174.841 175.900 -0.750 0.000 1.177 469 Y CA 1.557 59.340 58.100 -0.528 0.000 1.305 469 Y CB 0.171 38.084 38.460 -0.911 0.000 1.047 469 Y HN -0.637 7.755 8.280 0.247 0.037 0.522 470 W N -2.069 119.384 121.300 0.254 0.000 2.237 470 W HA 0.273 nan 4.660 nan 0.000 0.289 470 W C -1.330 175.268 176.519 0.132 0.000 0.988 470 W CA -1.233 56.214 57.345 0.170 0.000 1.671 470 W CB 0.214 29.779 29.460 0.176 0.000 1.746 470 W HN -0.082 8.025 8.180 0.209 0.198 0.380 471 R N 0.435 121.015 120.500 0.133 0.000 2.633 471 R HA 0.210 nan 4.340 nan 0.000 0.255 471 R C -1.365 174.989 176.300 0.090 0.000 1.106 471 R CA 0.052 56.213 56.100 0.101 0.000 0.959 471 R CB 3.305 33.739 30.300 0.223 0.000 1.259 471 R HN -0.394 7.904 8.270 0.046 0.000 0.453 472 F N 5.389 125.461 119.950 0.202 0.000 2.462 472 F HA 0.085 nan 4.527 nan 0.000 0.354 472 F C -0.000 175.996 175.800 0.327 0.000 1.192 472 F CA -0.703 57.365 58.000 0.115 0.000 1.173 472 F CB -0.748 38.108 39.000 -0.239 0.000 1.402 472 F HN 0.038 8.407 8.300 0.116 0.000 0.595 473 E N 4.410 124.961 120.200 0.585 0.000 2.437 473 E HA -0.198 nan 4.350 nan 0.000 0.263 473 E C -0.645 176.173 176.600 0.364 0.000 1.030 473 E CA 0.514 57.143 56.400 0.381 0.000 0.934 473 E CB 0.608 30.488 29.700 0.300 0.000 0.943 473 E HN -0.256 8.487 8.360 0.638 0.000 0.444 474 K N 4.863 125.402 120.400 0.232 0.000 2.294 474 K HA -0.248 nan 4.320 nan 0.000 0.288 474 K C 0.119 176.784 176.600 0.110 0.000 1.072 474 K CA 0.685 57.082 56.287 0.183 0.000 0.960 474 K CB -0.514 32.066 32.500 0.134 0.000 1.043 474 K HN 0.394 8.758 8.250 0.189 0.000 0.455 475 G N 4.372 113.208 108.800 0.060 0.000 2.580 475 G HA2 -0.263 nan 3.960 nan 0.000 0.204 475 G HA3 -0.263 nan 3.960 nan 0.000 0.204 475 G C -1.540 173.284 174.900 -0.127 0.000 1.107 475 G CA -0.333 44.751 45.100 -0.026 0.000 0.881 475 G HN -0.094 8.250 8.290 0.091 0.000 0.497 476 A N -0.589 121.998 122.820 -0.388 0.000 2.354 476 A HA 0.292 nan 4.320 nan 0.000 0.281 476 A C 0.509 177.843 177.584 -0.417 0.000 1.174 476 A CA -0.772 50.908 52.037 -0.594 0.000 0.828 476 A CB 0.670 18.675 19.000 -1.659 0.000 1.099 476 A HN 0.047 7.934 8.150 -0.439 0.000 0.516 477 K N 5.794 126.121 120.400 -0.122 0.000 2.103 477 K HA -0.284 nan 4.320 nan 0.000 0.207 477 K C 0.032 176.633 176.600 0.001 0.000 1.048 477 K CA 2.893 59.163 56.287 -0.028 0.000 0.930 477 K CB -0.395 32.146 32.500 0.068 0.000 0.716 477 K HN 0.624 8.859 8.250 -0.026 0.000 0.444 478 W N -3.593 117.635 121.300 -0.121 0.000 2.574 478 W HA 0.033 nan 4.660 nan 0.000 0.282 478 W C -0.397 176.163 176.519 0.068 0.000 1.197 478 W CA 0.941 58.266 57.345 -0.034 0.000 1.376 478 W CB -0.155 29.289 29.460 -0.027 0.000 1.091 478 W HN -0.483 7.807 8.180 0.211 0.017 0.569 479 H N -4.063 114.358 119.070 -1.082 0.000 2.535 479 H HA -0.030 nan 4.556 nan 0.000 0.273 479 H C 0.307 175.280 175.328 -0.592 0.000 0.983 479 H CA 0.313 55.814 56.048 -0.912 0.000 1.238 479 H CB 0.264 29.259 29.762 -1.278 0.000 1.412 479 H HN -0.587 6.657 8.280 -1.728 0.000 0.562 480 A N -1.029 121.526 122.820 -0.442 0.000 3.930 480 A HA -0.413 nan 4.320 nan 0.000 0.267 480 A C -0.818 176.565 177.584 -0.334 0.000 0.971 480 A CA 1.150 52.965 52.037 -0.371 0.000 1.197 480 A CB -1.529 17.244 19.000 -0.379 0.000 1.073 480 A HN -0.561 7.215 8.150 -0.566 0.034 0.871 481 Y N -0.648 119.528 120.300 -0.207 0.000 2.650 481 Y HA -0.205 nan 4.550 nan 0.000 0.331 481 Y C 0.014 175.677 175.900 -0.395 0.000 1.165 481 Y CA 0.367 58.171 58.100 -0.493 0.000 1.473 481 Y CB -0.344 37.421 38.460 -1.158 0.000 1.224 481 Y HN -0.336 7.640 8.280 -0.297 0.125 0.533 482 E N 5.483 125.581 120.200 -0.171 0.000 2.024 482 E HA -0.064 nan 4.350 nan 0.000 0.190 482 E C 1.267 177.836 176.600 -0.052 0.000 0.974 482 E CA 1.227 57.578 56.400 -0.081 0.000 0.810 482 E CB 0.446 30.154 29.700 0.014 0.000 0.775 482 E HN 0.138 8.401 8.360 -0.162 0.000 0.453 483 G N 0.355 109.047 108.800 -0.180 0.000 3.939 483 G HA2 0.254 nan 3.960 nan 0.000 0.268 483 G HA3 0.254 nan 3.960 nan 0.000 0.268 483 G C -1.958 172.952 174.900 0.018 0.000 1.172 483 G CA -0.594 44.474 45.100 -0.052 0.000 1.614 483 G HN 0.202 8.583 8.290 -0.397 -0.329 0.639 484 Y N 0.747 120.991 120.300 -0.094 0.000 2.587 484 Y HA 0.694 nan 4.550 nan 0.000 0.337 484 Y C -1.254 174.682 175.900 0.059 0.000 1.065 484 Y CA -3.061 55.034 58.100 -0.009 0.000 1.126 484 Y CB 3.590 42.058 38.460 0.014 0.000 1.279 484 Y HN -0.866 7.430 8.280 0.129 0.062 0.489 485 G N -1.926 107.003 108.800 0.214 0.000 3.251 485 G HA2 0.232 nan 3.960 nan 0.000 0.248 485 G HA3 0.232 nan 3.960 nan 0.000 0.248 485 G C -2.045 172.905 174.900 0.084 0.000 1.320 485 G CA -1.668 43.507 45.100 0.125 0.000 0.982 485 G HN 0.553 9.210 8.290 0.169 -0.266 0.575 486 D N -0.063 120.367 120.400 0.049 0.000 2.308 486 D HA -0.071 nan 4.640 nan 0.000 0.251 486 D C 0.350 176.630 176.300 -0.033 0.000 1.127 486 D CA 1.019 55.037 54.000 0.030 0.000 0.876 486 D CB 0.525 41.351 40.800 0.043 0.000 1.176 486 D HN 0.039 8.441 8.370 0.054 0.000 0.446 487 N N 2.876 121.547 118.700 -0.050 0.000 2.696 487 N HA -0.454 nan 4.740 nan 0.000 0.249 487 N C -0.848 174.512 175.510 -0.250 0.000 1.090 487 N CA 1.371 54.367 53.050 -0.090 0.000 0.716 487 N CB -0.486 38.020 38.487 0.032 0.000 1.020 487 N HN 0.500 8.874 8.380 -0.009 0.000 0.548 488 Q N -4.249 115.314 119.800 -0.394 0.000 2.226 488 Q HA -0.060 nan 4.340 nan 0.000 0.199 488 Q C -1.163 174.150 176.000 -1.145 0.000 0.945 488 Q CA 2.156 57.557 55.803 -0.670 0.000 0.861 488 Q CB 2.060 30.415 28.738 -0.638 0.000 0.953 488 Q HN -0.246 7.819 8.270 -0.289 0.032 0.490 489 Y N -6.375 113.529 120.300 -0.659 0.000 2.512 489 Y HA 0.507 nan 4.550 nan 0.000 0.348 489 Y C -0.911 174.606 175.900 -0.638 0.000 0.990 489 Y CA -1.840 55.886 58.100 -0.624 0.000 1.033 489 Y CB 3.263 41.347 38.460 -0.627 0.000 1.259 489 Y HN -0.586 7.374 8.280 -0.534 0.000 0.461 490 Y N -1.953 118.535 120.300 0.314 0.000 2.633 490 Y HA 0.312 nan 4.550 nan 0.000 0.339 490 Y C -1.327 174.670 175.900 0.162 0.000 1.045 490 Y CA -1.715 56.493 58.100 0.179 0.000 1.098 490 Y CB 3.391 41.940 38.460 0.148 0.000 1.296 490 Y HN 0.207 8.621 8.280 0.224 0.000 0.494 491 V N 0.620 120.630 119.914 0.160 0.000 2.407 491 V HA 0.039 nan 4.120 nan 0.000 0.278 491 V C -0.500 175.777 176.094 0.305 0.000 1.037 491 V CA -1.340 61.039 62.300 0.132 0.000 0.900 491 V CB -0.015 31.820 31.823 0.020 0.000 0.983 491 V HN -0.060 8.176 8.190 0.261 0.111 0.459 492 D N 8.329 128.904 120.400 0.291 0.000 2.358 492 D HA 0.237 nan 4.640 nan 0.000 0.258 492 D C -0.662 175.744 176.300 0.177 0.000 1.223 492 D CA -2.238 51.905 54.000 0.239 0.000 0.886 492 D CB 1.471 42.438 40.800 0.279 0.000 1.120 492 D HN 0.186 8.641 8.370 0.319 0.107 0.482 493 P HA -0.055 nan 4.420 nan 0.000 0.233 493 P C -0.762 176.544 177.300 0.009 0.000 1.167 493 P CA 0.752 63.766 63.100 -0.144 0.000 0.770 493 P CB 0.467 31.702 31.700 -0.775 0.000 0.837 494 N N -1.655 117.059 118.700 0.022 0.000 2.376 494 N HA 0.081 nan 4.740 nan 0.000 0.249 494 N C -1.357 174.270 175.510 0.196 0.000 1.140 494 N CA -0.064 53.019 53.050 0.056 0.000 0.870 494 N CB 0.207 38.581 38.487 -0.188 0.000 1.124 494 N HN -0.282 8.356 8.380 0.025 -0.243 0.505 495 K N 0.414 120.955 120.400 0.235 0.000 2.687 495 K HA 0.204 nan 4.320 nan 0.000 0.197 495 K C -1.546 175.224 176.600 0.284 0.000 1.049 495 K CA -1.079 55.353 56.287 0.242 0.000 1.030 495 K CB 0.848 33.456 32.500 0.179 0.000 1.261 495 K HN -0.812 7.481 8.250 0.221 0.090 0.565 496 F N 6.302 126.365 119.950 0.188 0.000 2.516 496 F HA -0.201 nan 4.527 nan 0.000 0.351 496 F C -1.988 173.970 175.800 0.263 0.000 1.208 496 F CA 0.513 58.642 58.000 0.215 0.000 1.073 496 F CB 0.450 39.578 39.000 0.212 0.000 1.203 496 F HN 0.296 8.883 8.300 0.479 0.000 0.602 497 M N 7.667 127.319 119.600 0.087 0.000 2.404 497 M HA 0.777 nan 4.480 nan 0.000 0.338 497 M C -2.082 174.223 176.300 0.008 0.000 1.150 497 M CA -1.101 54.235 55.300 0.061 0.000 1.016 497 M CB 2.875 35.459 32.600 -0.027 0.000 1.672 497 M HN -0.219 8.073 8.290 0.003 0.000 0.448 498 L N 4.411 125.685 121.223 0.084 0.000 2.401 498 L HA 0.763 nan 4.340 nan 0.000 0.266 498 L C -1.410 175.496 176.870 0.059 0.000 0.991 498 L CA -1.453 53.436 54.840 0.081 0.000 0.818 498 L CB 3.871 46.045 42.059 0.192 0.000 1.321 498 L HN 0.849 9.150 8.230 0.119 0.000 0.413 499 T N -0.706 113.852 114.554 0.006 0.000 2.943 499 T HA 0.705 nan 4.350 nan 0.000 0.284 499 T C -0.027 174.728 174.700 0.090 0.000 1.015 499 T CA -2.282 59.756 62.100 -0.104 0.000 1.042 499 T CB 1.610 70.197 68.868 -0.470 0.000 1.055 499 T HN 0.455 8.708 8.240 0.022 0.000 0.500 500 T N -2.366 112.256 114.554 0.114 0.000 2.945 500 T HA 0.591 nan 4.350 nan 0.000 0.286 500 T C -2.067 172.684 174.700 0.085 0.000 1.025 500 T CA -3.259 58.947 62.100 0.178 0.000 1.039 500 T CB -0.377 68.592 68.868 0.168 0.000 1.068 500 T HN 0.692 8.871 8.240 0.078 0.107 0.497 501 P HA -0.210 nan 4.420 nan 0.000 0.266 501 P C -0.240 176.997 177.300 -0.105 0.000 1.195 501 P CA 0.653 63.728 63.100 -0.041 0.000 0.768 501 P CB 0.054 31.721 31.700 -0.056 0.000 0.838 502 G N -0.200 108.540 108.800 -0.098 0.000 3.110 502 G HA2 -0.168 nan 3.960 nan 0.000 0.205 502 G HA3 -0.168 nan 3.960 nan 0.000 0.205 502 G C -1.681 173.231 174.900 0.019 0.000 1.019 502 G CA 0.407 45.440 45.100 -0.111 0.000 0.826 502 G HN 0.292 8.869 8.290 -0.054 -0.318 0.481 503 I N 0.722 121.220 120.570 -0.119 0.000 2.474 503 I HA 0.288 nan 4.170 nan 0.000 0.294 503 I C -2.325 173.658 176.117 -0.224 0.000 1.005 503 I CA -1.331 59.778 61.300 -0.318 0.000 1.113 503 I CB 2.839 40.374 38.000 -0.775 0.000 1.289 503 I HN -0.635 7.524 8.210 -0.085 0.000 0.436 504 N N 7.335 125.918 118.700 -0.194 0.000 2.434 504 N HA 0.266 nan 4.740 nan 0.000 0.272 504 N C -1.361 174.060 175.510 -0.148 0.000 1.040 504 N CA -2.695 50.289 53.050 -0.109 0.000 0.956 504 N CB 1.595 40.060 38.487 -0.037 0.000 1.108 504 N HN 0.494 8.636 8.380 -0.222 0.105 0.481 505 P HA -0.206 nan 4.420 nan 0.000 0.205 505 P C 0.344 177.615 177.300 -0.049 0.000 1.193 505 P CA 2.243 65.321 63.100 -0.037 0.000 0.929 505 P CB 0.386 32.105 31.700 0.032 0.000 0.772 506 E N -3.273 116.914 120.200 -0.021 0.000 2.049 506 E HA -0.236 nan 4.350 nan 0.000 0.198 506 E C 2.006 178.586 176.600 -0.033 0.000 1.007 506 E CA 2.030 58.419 56.400 -0.018 0.000 0.809 506 E CB -0.605 29.092 29.700 -0.005 0.000 0.749 506 E HN 0.264 8.692 8.360 -0.009 -0.074 0.450 507 T N -7.585 106.949 114.554 -0.033 0.000 3.014 507 T HA 0.100 nan 4.350 nan 0.000 0.263 507 T C 1.730 176.404 174.700 -0.044 0.000 1.078 507 T CA 0.309 62.394 62.100 -0.025 0.000 1.135 507 T CB 0.569 69.436 68.868 -0.002 0.000 0.895 507 T HN -0.534 7.937 8.240 -0.030 -0.250 0.480 508 G N 3.462 112.198 108.800 -0.106 0.000 2.166 508 G HA2 -0.462 nan 3.960 nan 0.000 0.260 508 G HA3 -0.462 nan 3.960 nan 0.000 0.260 508 G C -1.454 173.390 174.900 -0.094 0.000 0.986 508 G CA 0.588 45.578 45.100 -0.182 0.000 0.683 508 G HN 0.143 8.137 8.290 -0.117 0.226 0.527 509 D N -1.421 118.974 120.400 -0.008 0.000 2.506 509 D HA 0.375 nan 4.640 nan 0.000 0.254 509 D C -0.632 175.726 176.300 0.097 0.000 1.089 509 D CA -1.848 52.253 54.000 0.169 0.000 1.050 509 D CB 1.960 42.861 40.800 0.169 0.000 1.221 509 D HN -0.752 7.530 8.370 -0.029 0.071 0.589 510 Y N -2.666 117.720 120.300 0.143 0.000 2.258 510 Y HA -0.008 nan 4.550 nan 0.000 0.345 510 Y C 0.141 176.109 175.900 0.113 0.000 1.303 510 Y CA 1.190 59.364 58.100 0.124 0.000 1.537 510 Y CB 0.990 39.532 38.460 0.137 0.000 1.383 510 Y HN 0.113 8.811 8.280 0.696 0.000 0.606 511 E N -0.494 119.911 120.200 0.342 0.000 2.518 511 E HA 0.096 nan 4.350 nan 0.000 0.248 511 E C -0.666 176.145 176.600 0.352 0.000 1.028 511 E CA -1.115 55.421 56.400 0.227 0.000 0.922 511 E CB 1.838 31.605 29.700 0.112 0.000 1.299 511 E HN -0.057 8.493 8.360 0.454 0.082 0.457 512 D N -1.417 119.134 120.400 0.251 0.000 2.183 512 D HA -0.068 nan 4.640 nan 0.000 0.205 512 D C -1.411 175.095 176.300 0.343 0.000 0.962 512 D CA 1.849 56.025 54.000 0.294 0.000 0.849 512 D CB 0.452 41.362 40.800 0.184 0.000 0.978 512 D HN 0.303 8.777 8.370 0.174 0.000 0.488 513 F N -1.446 118.465 119.950 -0.066 0.000 2.492 513 F HA 0.238 nan 4.527 nan 0.000 0.327 513 F C -1.735 173.668 175.800 -0.662 0.000 1.079 513 F CA -0.449 57.391 58.000 -0.266 0.000 0.967 513 F CB 3.197 42.129 39.000 -0.113 0.000 1.169 513 F HN -0.738 7.674 8.300 0.188 0.000 0.472 514 G N 2.051 109.907 108.800 -1.573 0.000 2.733 514 G HA2 0.271 nan 3.960 nan 0.000 0.297 514 G HA3 0.271 nan 3.960 nan 0.000 0.297 514 G C -2.800 171.569 174.900 -0.884 0.000 1.422 514 G CA -0.305 44.150 45.100 -1.075 0.000 0.942 514 G HN -0.320 6.902 8.290 -1.780 0.000 0.510 515 V N 1.386 121.034 119.914 -0.442 0.000 2.277 515 V HA 0.327 nan 4.120 nan 0.000 0.269 515 V C -1.875 174.167 176.094 -0.086 0.000 1.036 515 V CA -3.889 58.269 62.300 -0.237 0.000 0.821 515 V CB 0.423 32.235 31.823 -0.018 0.000 1.052 515 V HN 0.679 8.580 8.190 -0.295 0.112 0.462 516 P HA -0.159 nan 4.420 nan 0.000 0.261 516 P C -0.363 176.924 177.300 -0.023 0.000 1.173 516 P CA 0.513 63.583 63.100 -0.051 0.000 0.760 516 P CB 0.244 31.888 31.700 -0.093 0.000 0.783 517 A N 6.078 128.890 122.820 -0.013 0.000 1.986 517 A HA -0.375 nan 4.320 nan 0.000 0.220 517 A C 1.847 179.432 177.584 0.000 0.000 1.171 517 A CA 3.334 55.364 52.037 -0.012 0.000 0.640 517 A CB -0.431 18.554 19.000 -0.025 0.000 0.811 517 A HN 0.803 8.834 8.150 -0.024 0.105 0.451 518 T N -0.301 114.271 114.554 0.031 0.000 2.788 518 T HA -0.247 nan 4.350 nan 0.000 0.268 518 T C 1.988 176.780 174.700 0.153 0.000 1.044 518 T CA 3.806 65.967 62.100 0.102 0.000 1.139 518 T CB -0.689 68.290 68.868 0.186 0.000 0.867 518 T HN 0.220 8.445 8.240 0.015 0.023 0.454 519 I N 0.179 120.820 120.570 0.118 0.000 2.226 519 I HA -0.326 nan 4.170 nan 0.000 0.245 519 I C 1.768 177.955 176.117 0.118 0.000 1.100 519 I CA 3.132 64.516 61.300 0.141 0.000 1.374 519 I CB -1.280 36.740 38.000 0.033 0.000 1.057 519 I HN -0.291 7.829 8.210 0.049 0.119 0.413 520 V N -0.057 119.878 119.914 0.035 0.000 2.379 520 V HA -0.346 nan 4.120 nan 0.000 0.245 520 V C 1.783 177.911 176.094 0.057 0.000 1.044 520 V CA 4.115 66.400 62.300 -0.025 0.000 1.036 520 V CB -1.155 30.537 31.823 -0.219 0.000 0.664 520 V HN -0.796 7.300 8.190 0.014 0.103 0.453 521 A N -0.774 122.069 122.820 0.039 0.000 1.883 521 A HA -0.428 nan 4.320 nan 0.000 0.217 521 A C 1.842 179.475 177.584 0.081 0.000 1.186 521 A CA 3.585 55.645 52.037 0.038 0.000 0.624 521 A CB -0.772 18.231 19.000 0.006 0.000 0.822 521 A HN 0.450 8.542 8.150 0.025 0.073 0.444 522 N N -1.367 117.396 118.700 0.105 0.000 2.142 522 N HA -0.293 nan 4.740 nan 0.000 0.186 522 N C 1.726 177.329 175.510 0.155 0.000 1.023 522 N CA 3.681 56.795 53.050 0.106 0.000 0.852 522 N CB 0.016 38.562 38.487 0.099 0.000 0.998 522 N HN -0.215 8.231 8.380 0.110 0.000 0.424 523 Y N 1.648 121.992 120.300 0.075 0.000 2.070 523 Y HA -0.446 nan 4.550 nan 0.000 0.280 523 Y C 1.670 177.642 175.900 0.119 0.000 1.148 523 Y CA 3.819 61.968 58.100 0.081 0.000 1.125 523 Y CB 0.124 38.576 38.460 -0.014 0.000 0.975 523 Y HN -0.357 8.093 8.280 0.282 0.000 0.492 524 L N -2.270 119.062 121.223 0.181 0.000 1.963 524 L HA -0.611 nan 4.340 nan 0.000 0.220 524 L C 2.563 179.484 176.870 0.085 0.000 1.076 524 L CA 3.554 58.465 54.840 0.119 0.000 0.772 524 L CB -0.470 41.700 42.059 0.185 0.000 0.892 524 L HN 0.131 8.528 8.230 0.277 0.000 0.435 525 R N -1.765 118.785 120.500 0.083 0.000 2.119 525 R HA -0.443 nan 4.340 nan 0.000 0.246 525 R C 2.659 178.977 176.300 0.031 0.000 1.146 525 R CA 3.322 59.455 56.100 0.056 0.000 0.962 525 R CB -0.450 29.875 30.300 0.042 0.000 0.863 525 R HN -0.162 8.162 8.270 0.091 0.000 0.442 526 D N -2.203 118.221 120.400 0.040 0.000 2.351 526 D HA -0.115 nan 4.640 nan 0.000 0.216 526 D C 0.950 177.109 176.300 -0.234 0.000 0.968 526 D CA 2.153 56.126 54.000 -0.044 0.000 0.899 526 D CB -0.014 40.787 40.800 0.001 0.000 0.907 526 D HN -0.294 8.031 8.370 0.068 0.086 0.514 527 H N -2.512 116.441 119.070 -0.194 0.000 2.528 527 H HA 0.221 nan 4.556 nan 0.000 0.256 527 H C -0.034 175.248 175.328 -0.077 0.000 1.204 527 H CA -1.135 54.812 56.048 -0.168 0.000 0.955 527 H CB -0.982 28.613 29.762 -0.278 0.000 1.817 527 H HN -0.129 8.015 8.280 0.123 0.210 0.579 528 G N 0.186 108.996 108.800 0.016 0.000 2.249 528 G HA2 -0.448 nan 3.960 nan 0.000 0.273 528 G HA3 -0.448 nan 3.960 nan 0.000 0.273 528 G C -0.981 173.950 174.900 0.053 0.000 1.036 528 G CA 1.133 46.249 45.100 0.026 0.000 0.824 528 G HN -0.217 7.999 8.290 -0.019 0.063 0.504 529 I N -0.052 120.562 120.570 0.075 0.000 2.500 529 I HA 0.073 nan 4.170 nan 0.000 0.286 529 I C -1.540 174.650 176.117 0.122 0.000 1.063 529 I CA -1.071 60.291 61.300 0.103 0.000 1.062 529 I CB 2.798 40.871 38.000 0.122 0.000 1.223 529 I HN -0.848 7.407 8.210 0.074 0.000 0.435 530 I N 6.395 127.038 120.570 0.121 0.000 2.291 530 I HA 0.291 nan 4.170 nan 0.000 0.290 530 I C -1.518 174.671 176.117 0.119 0.000 1.050 530 I CA -5.185 56.178 61.300 0.106 0.000 1.245 530 I CB -1.250 36.804 38.000 0.090 0.000 1.405 530 I HN 0.130 8.410 8.210 0.117 0.000 0.478 531 P HA 0.207 nan 4.420 nan 0.000 0.274 531 P C -0.962 176.284 177.300 -0.089 0.000 1.237 531 P CA -0.856 62.167 63.100 -0.129 0.000 0.793 531 P CB 0.840 32.381 31.700 -0.264 0.000 0.977 532 E N 1.989 122.111 120.200 -0.130 0.000 2.112 532 E HA -0.109 nan 4.350 nan 0.000 0.190 532 E C -0.017 176.589 176.600 0.009 0.000 0.979 532 E CA 1.171 57.585 56.400 0.023 0.000 0.814 532 E CB 1.186 30.957 29.700 0.119 0.000 0.762 532 E HN 0.021 8.203 8.360 -0.297 0.000 0.460 533 K N -3.486 116.839 120.400 -0.126 0.000 2.625 533 K HA 0.210 nan 4.320 nan 0.000 0.284 533 K C -2.647 173.843 176.600 -0.182 0.000 0.984 533 K CA -0.254 55.961 56.287 -0.121 0.000 0.865 533 K CB 2.458 34.846 32.500 -0.187 0.000 1.468 533 K HN -0.699 7.405 8.250 -0.243 0.000 0.407 534 S N 1.935 117.566 115.700 -0.115 0.000 2.706 534 S HA 0.475 nan 4.470 nan 0.000 0.270 534 S C -1.310 173.261 174.600 -0.049 0.000 1.163 534 S CA -0.702 57.439 58.200 -0.099 0.000 1.042 534 S CB 2.213 65.365 63.200 -0.081 0.000 1.079 534 S HN -0.004 8.266 8.310 -0.068 0.000 0.474 535 D N 5.827 126.196 120.400 -0.051 0.000 2.399 535 D HA 0.138 nan 4.640 nan 0.000 0.288 535 D C 0.172 176.440 176.300 -0.054 0.000 1.197 535 D CA -0.691 53.291 54.000 -0.029 0.000 1.081 535 D CB 0.633 41.421 40.800 -0.021 0.000 1.139 535 D HN 0.182 8.513 8.370 -0.064 0.000 0.554 536 L N -1.528 119.638 121.223 -0.095 0.000 1.976 536 L HA -0.194 nan 4.340 nan 0.000 0.209 536 L C 1.168 177.981 176.870 -0.096 0.000 1.071 536 L CA 3.519 58.261 54.840 -0.164 0.000 0.746 536 L CB 0.320 42.215 42.059 -0.272 0.000 0.890 536 L HN 0.233 8.414 8.230 -0.083 0.000 0.432 537 N N -5.650 113.004 118.700 -0.077 0.000 2.433 537 N HA 0.216 nan 4.740 nan 0.000 0.270 537 N C -1.996 173.501 175.510 -0.020 0.000 1.354 537 N CA -0.146 52.895 53.050 -0.016 0.000 0.889 537 N CB 1.484 39.976 38.487 0.009 0.000 1.285 537 N HN 0.167 8.484 8.380 -0.104 0.000 0.503 538 S N -2.505 113.172 115.700 -0.038 0.000 2.537 538 S HA 0.663 nan 4.470 nan 0.000 0.270 538 S C -2.457 172.126 174.600 -0.028 0.000 1.142 538 S CA -0.981 57.207 58.200 -0.020 0.000 0.870 538 S CB 2.821 66.065 63.200 0.073 0.000 1.112 538 S HN -0.612 7.674 8.310 -0.040 0.000 0.466 539 I N 1.031 121.580 120.570 -0.035 0.000 2.569 539 I HA 0.770 nan 4.170 nan 0.000 0.290 539 I C -3.147 172.859 176.117 -0.185 0.000 1.088 539 I CA -1.559 59.658 61.300 -0.138 0.000 1.047 539 I CB 3.690 41.619 38.000 -0.118 0.000 1.237 539 I HN 0.745 8.962 8.210 0.011 0.000 0.421 540 L N 7.978 128.986 121.223 -0.358 0.000 2.329 540 L HA 0.873 nan 4.340 nan 0.000 0.279 540 L C -2.455 174.118 176.870 -0.495 0.000 1.014 540 L CA -1.553 53.120 54.840 -0.278 0.000 0.814 540 L CB 4.013 45.919 42.059 -0.255 0.000 1.257 540 L HN 0.599 8.596 8.230 -0.389 0.000 0.424 541 F N 4.794 124.837 119.950 0.156 0.000 2.507 541 F HA 0.345 nan 4.527 nan 0.000 0.328 541 F C -1.405 174.505 175.800 0.184 0.000 1.136 541 F CA -1.556 56.544 58.000 0.167 0.000 0.930 541 F CB 2.509 41.618 39.000 0.180 0.000 1.166 541 F HN 0.904 9.319 8.300 0.372 0.109 0.436 542 L N 2.975 124.376 121.223 0.295 0.000 2.319 542 L HA 0.275 nan 4.340 nan 0.000 0.280 542 L C -0.465 176.544 176.870 0.231 0.000 1.099 542 L CA -0.378 54.632 54.840 0.283 0.000 0.828 542 L CB 0.417 42.665 42.059 0.314 0.000 1.150 542 L HN 0.253 8.638 8.230 0.259 0.000 0.442 543 M N 3.559 123.286 119.600 0.212 0.000 2.472 543 M HA 0.359 nan 4.480 nan 0.000 0.331 543 M C -0.694 175.671 176.300 0.109 0.000 1.170 543 M CA -1.652 53.724 55.300 0.125 0.000 1.009 543 M CB 2.165 34.830 32.600 0.109 0.000 1.672 543 M HN -0.280 8.157 8.290 0.245 0.000 0.453 544 T N -3.838 110.713 114.554 -0.005 0.000 2.769 544 T HA 0.593 nan 4.350 nan 0.000 0.306 544 T C -2.390 172.127 174.700 -0.306 0.000 1.400 544 T CA -1.456 60.545 62.100 -0.164 0.000 1.007 544 T CB 1.238 70.058 68.868 -0.079 0.000 1.392 544 T HN -0.221 8.161 8.240 -0.030 -0.160 0.500 545 P HA -0.142 nan 4.420 nan 0.000 0.234 545 P C -1.103 176.058 177.300 -0.231 0.000 1.162 545 P CA 1.542 64.394 63.100 -0.414 0.000 0.759 545 P CB -0.634 30.734 31.700 -0.553 0.000 0.813 546 A N -2.613 120.100 122.820 -0.178 0.000 2.066 546 A HA -0.153 nan 4.320 nan 0.000 0.218 546 A C 0.673 178.206 177.584 -0.085 0.000 1.157 546 A CA 0.584 52.556 52.037 -0.108 0.000 0.670 546 A CB 0.294 19.250 19.000 -0.073 0.000 0.804 546 A HN -0.657 7.287 8.150 -0.186 0.094 0.453 547 E N 0.016 120.159 120.200 -0.095 0.000 2.413 547 E HA -0.098 nan 4.350 nan 0.000 0.263 547 E C -0.651 175.899 176.600 -0.084 0.000 1.015 547 E CA 0.374 56.721 56.400 -0.089 0.000 0.916 547 E CB 0.325 29.962 29.700 -0.106 0.000 0.947 547 E HN -0.573 7.675 8.360 -0.115 0.043 0.440 548 T N -2.428 112.081 114.554 -0.074 0.000 2.900 548 T HA 0.468 nan 4.350 nan 0.000 0.295 548 T C -1.167 173.496 174.700 -0.063 0.000 1.044 548 T CA -3.663 58.400 62.100 -0.061 0.000 0.995 548 T CB 1.334 70.174 68.868 -0.048 0.000 1.072 548 T HN -0.596 7.598 8.240 -0.075 0.000 0.473 549 P HA -0.291 nan 4.420 nan 0.000 0.218 549 P C 0.935 178.208 177.300 -0.044 0.000 1.154 549 P CA 2.940 66.013 63.100 -0.045 0.000 0.872 549 P CB -0.084 31.599 31.700 -0.029 0.000 0.790 550 A N -4.010 118.788 122.820 -0.037 0.000 1.908 550 A HA -0.170 nan 4.320 nan 0.000 0.218 550 A C 2.135 179.695 177.584 -0.039 0.000 1.181 550 A CA 3.013 55.032 52.037 -0.030 0.000 0.627 550 A CB -0.687 18.299 19.000 -0.023 0.000 0.818 550 A HN 0.303 8.412 8.150 -0.036 0.020 0.445 551 K N -1.644 118.725 120.400 -0.051 0.000 2.103 551 K HA -0.238 nan 4.320 nan 0.000 0.204 551 K C 2.356 178.894 176.600 -0.102 0.000 1.052 551 K CA 2.788 59.038 56.287 -0.063 0.000 0.945 551 K CB -0.091 32.372 32.500 -0.062 0.000 0.722 551 K HN -0.478 7.646 8.250 -0.051 0.096 0.443 552 M N -0.918 118.608 119.600 -0.123 0.000 2.099 552 M HA -0.292 nan 4.480 nan 0.000 0.262 552 M C 2.320 178.545 176.300 -0.125 0.000 1.067 552 M CA 1.927 57.116 55.300 -0.184 0.000 1.124 552 M CB -0.956 31.538 32.600 -0.177 0.000 1.353 552 M HN -0.218 7.918 8.290 -0.101 0.093 0.410 553 N N -0.807 117.853 118.700 -0.067 0.000 2.520 553 N HA -0.262 nan 4.740 nan 0.000 0.185 553 N C 2.155 177.650 175.510 -0.025 0.000 1.068 553 N CA 3.047 56.078 53.050 -0.032 0.000 0.911 553 N CB -0.439 38.039 38.487 -0.015 0.000 0.961 553 N HN 0.264 8.607 8.380 -0.062 0.000 0.446 554 N N 0.781 119.458 118.700 -0.038 0.000 2.207 554 N HA -0.143 nan 4.740 nan 0.000 0.182 554 N C 1.986 177.483 175.510 -0.022 0.000 1.020 554 N CA 2.819 55.858 53.050 -0.019 0.000 0.858 554 N CB 0.009 38.483 38.487 -0.021 0.000 0.991 554 N HN -0.454 7.699 8.380 -0.056 0.193 0.427 555 L N 0.859 122.039 121.223 -0.072 0.000 2.056 555 L HA -0.194 nan 4.340 nan 0.000 0.207 555 L C 1.569 178.405 176.870 -0.056 0.000 1.078 555 L CA 2.829 57.606 54.840 -0.104 0.000 0.749 555 L CB -0.053 41.835 42.059 -0.286 0.000 0.901 555 L HN -0.664 7.418 8.230 -0.102 0.086 0.433 556 I N -2.371 118.176 120.570 -0.039 0.000 2.315 556 I HA -0.599 nan 4.170 nan 0.000 0.248 556 I C 1.393 177.538 176.117 0.046 0.000 1.117 556 I CA 4.316 65.628 61.300 0.020 0.000 1.404 556 I CB -0.630 37.387 38.000 0.029 0.000 1.071 556 I HN -0.376 7.796 8.210 -0.064 0.000 0.419 557 T N 2.516 117.092 114.554 0.037 0.000 2.665 557 T HA -0.386 nan 4.350 nan 0.000 0.268 557 T C 2.424 177.173 174.700 0.080 0.000 1.035 557 T CA 4.844 66.976 62.100 0.053 0.000 1.151 557 T CB -0.726 68.170 68.868 0.047 0.000 0.862 557 T HN -0.478 7.773 8.240 0.019 0.000 0.438 558 Q N 0.449 120.302 119.800 0.088 0.000 2.119 558 Q HA -0.187 nan 4.340 nan 0.000 0.201 558 Q C 2.498 178.592 176.000 0.156 0.000 0.972 558 Q CA 2.373 58.267 55.803 0.152 0.000 0.847 558 Q CB -0.860 27.960 28.738 0.136 0.000 0.903 558 Q HN -0.540 7.768 8.270 0.063 -0.001 0.433 559 L N -0.494 120.792 121.223 0.105 0.000 2.093 559 L HA -0.283 nan 4.340 nan 0.000 0.208 559 L C 2.401 179.393 176.870 0.202 0.000 1.085 559 L CA 2.912 57.830 54.840 0.130 0.000 0.755 559 L CB -0.142 42.011 42.059 0.155 0.000 0.904 559 L HN -0.083 8.100 8.230 0.080 0.095 0.435 560 L N -2.264 119.040 121.223 0.134 0.000 2.179 560 L HA -0.375 nan 4.340 nan 0.000 0.208 560 L C 2.054 178.966 176.870 0.070 0.000 1.096 560 L CA 2.908 57.809 54.840 0.101 0.000 0.779 560 L CB -0.481 41.620 42.059 0.069 0.000 0.922 560 L HN 0.291 8.587 8.230 0.110 0.000 0.443 561 Q N 0.085 119.926 119.800 0.069 0.000 2.079 561 Q HA -0.291 nan 4.340 nan 0.000 0.200 561 Q C 2.518 178.489 176.000 -0.048 0.000 0.974 561 Q CA 3.411 59.247 55.803 0.056 0.000 0.840 561 Q CB -0.158 28.656 28.738 0.127 0.000 0.898 561 Q HN -0.241 8.082 8.270 0.089 0.000 0.430 562 L N -1.590 119.509 121.223 -0.207 0.000 2.201 562 L HA -0.267 nan 4.340 nan 0.000 0.212 562 L C 1.370 178.165 176.870 -0.125 0.000 1.105 562 L CA 2.651 57.175 54.840 -0.527 0.000 0.775 562 L CB -0.150 41.394 42.059 -0.857 0.000 0.913 562 L HN -0.230 7.939 8.230 -0.102 0.000 0.440 563 Q N -0.894 118.935 119.800 0.047 0.000 2.020 563 Q HA -0.410 nan 4.340 nan 0.000 0.198 563 Q C 1.903 177.902 176.000 -0.001 0.000 0.974 563 Q CA 3.344 59.175 55.803 0.047 0.000 0.829 563 Q CB -0.184 28.558 28.738 0.008 0.000 0.894 563 Q HN -0.661 7.543 8.270 0.084 0.115 0.433 564 R N -0.226 120.274 120.500 -0.000 0.000 2.140 564 R HA -0.355 nan 4.340 nan 0.000 0.250 564 R C 2.702 179.002 176.300 -0.000 0.000 1.150 564 R CA 3.228 59.328 56.100 0.001 0.000 0.966 564 R CB -0.324 29.984 30.300 0.013 0.000 0.869 564 R HN -0.191 8.086 8.270 0.011 0.000 0.445 565 L N -3.188 118.030 121.223 -0.008 0.000 2.240 565 L HA -0.201 nan 4.340 nan 0.000 0.211 565 L C 1.853 178.730 176.870 0.012 0.000 1.106 565 L CA 2.395 57.236 54.840 0.002 0.000 0.793 565 L CB 0.142 42.194 42.059 -0.012 0.000 0.927 565 L HN -0.631 7.568 8.230 -0.025 0.016 0.446 566 I N -1.117 119.462 120.570 0.015 0.000 2.500 566 I HA -0.477 nan 4.170 nan 0.000 0.252 566 I C 1.479 177.613 176.117 0.029 0.000 1.142 566 I CA 3.380 64.714 61.300 0.057 0.000 1.451 566 I CB -0.085 37.981 38.000 0.110 0.000 1.093 566 I HN -0.007 8.083 8.210 0.002 0.122 0.430 567 E N -1.104 119.095 120.200 -0.002 0.000 2.285 567 E HA -0.216 nan 4.350 nan 0.000 0.194 567 E C 1.946 178.524 176.600 -0.036 0.000 0.997 567 E CA 2.365 58.743 56.400 -0.037 0.000 0.845 567 E CB -0.461 29.214 29.700 -0.042 0.000 0.782 567 E HN -0.211 8.148 8.360 -0.001 0.000 0.491 568 E N -1.688 118.503 120.200 -0.014 0.000 2.437 568 E HA 0.116 nan 4.350 nan 0.000 0.189 568 E C -0.707 175.892 176.600 -0.001 0.000 1.054 568 E CA -1.088 55.307 56.400 -0.009 0.000 0.874 568 E CB -0.574 29.127 29.700 0.001 0.000 1.011 568 E HN -0.640 7.610 8.360 -0.005 0.107 0.474 569 D N -1.786 118.615 120.400 0.001 0.000 2.733 569 D HA -0.445 nan 4.640 nan 0.000 0.232 569 D C -0.320 176.002 176.300 0.038 0.000 1.161 569 D CA 0.663 54.675 54.000 0.020 0.000 0.653 569 D CB -1.193 39.608 40.800 0.001 0.000 1.052 569 D HN -0.530 7.641 8.370 -0.006 0.195 0.424 570 A N -1.887 120.958 122.820 0.041 0.000 2.582 570 A HA -0.108 nan 4.320 nan 0.000 0.248 570 A C -2.334 175.285 177.584 0.058 0.000 1.127 570 A CA 0.119 52.184 52.037 0.046 0.000 0.822 570 A CB -0.044 18.987 19.000 0.053 0.000 1.069 570 A HN -0.471 7.680 8.150 0.037 0.021 0.522 571 P HA 0.182 nan 4.420 nan 0.000 0.285 571 P C -0.208 177.121 177.300 0.048 0.000 1.259 571 P CA -0.725 62.396 63.100 0.035 0.000 0.794 571 P CB 0.381 32.069 31.700 -0.020 0.000 0.940 572 L N 2.817 124.106 121.223 0.110 0.000 2.263 572 L HA -0.389 nan 4.340 nan 0.000 0.216 572 L C 1.269 178.193 176.870 0.090 0.000 1.111 572 L CA 3.051 57.990 54.840 0.164 0.000 0.773 572 L CB -0.151 42.091 42.059 0.306 0.000 0.906 572 L HN 0.676 8.882 8.230 0.157 0.118 0.439 573 K N -2.495 117.781 120.400 -0.206 0.000 2.002 573 K HA -0.376 nan 4.320 nan 0.000 0.209 573 K C 1.650 178.204 176.600 -0.077 0.000 1.048 573 K CA 3.079 59.110 56.287 -0.427 0.000 0.930 573 K CB -0.673 31.417 32.500 -0.684 0.000 0.714 573 K HN 0.016 8.082 8.250 -0.243 0.038 0.438 574 Q N -1.345 118.436 119.800 -0.032 0.000 2.046 574 Q HA -0.208 nan 4.340 nan 0.000 0.200 574 Q C 1.485 177.571 176.000 0.143 0.000 0.975 574 Q CA 2.495 58.330 55.803 0.052 0.000 0.836 574 Q CB 0.366 29.132 28.738 0.046 0.000 0.896 574 Q HN -0.584 7.562 8.270 -0.068 0.083 0.428 575 V N -2.776 117.236 119.914 0.162 0.000 2.427 575 V HA -0.133 nan 4.120 nan 0.000 0.248 575 V C 0.919 177.199 176.094 0.310 0.000 1.051 575 V CA 2.574 65.027 62.300 0.256 0.000 1.048 575 V CB 0.293 32.226 31.823 0.182 0.000 0.666 575 V HN -0.529 7.732 8.190 0.118 0.000 0.456 576 L N -2.680 118.681 121.223 0.229 0.000 2.678 576 L HA 0.565 nan 4.340 nan 0.000 0.250 576 L C -1.488 175.495 176.870 0.189 0.000 1.455 576 L CA -2.560 52.412 54.840 0.219 0.000 0.823 576 L CB 0.323 42.517 42.059 0.226 0.000 1.107 576 L HN -0.521 7.822 8.230 0.190 0.000 0.514 577 P HA -0.403 nan 4.420 nan 0.000 0.216 577 P C 1.601 178.989 177.300 0.147 0.000 1.151 577 P CA 3.325 66.499 63.100 0.124 0.000 0.953 577 P CB -0.024 31.716 31.700 0.066 0.000 0.789 578 S N -1.772 113.984 115.700 0.092 0.000 2.359 578 S HA -0.320 nan 4.470 nan 0.000 0.224 578 S C 2.385 177.033 174.600 0.080 0.000 1.035 578 S CA 3.209 61.451 58.200 0.068 0.000 1.018 578 S CB -0.371 62.843 63.200 0.023 0.000 0.876 578 S HN -0.185 8.166 8.310 0.069 0.000 0.448 579 I N 1.213 121.827 120.570 0.074 0.000 2.208 579 I HA -0.451 nan 4.170 nan 0.000 0.245 579 I C 1.579 177.809 176.117 0.188 0.000 1.097 579 I CA 2.580 63.915 61.300 0.059 0.000 1.363 579 I CB -0.953 37.035 38.000 -0.020 0.000 1.051 579 I HN -0.695 7.559 8.210 0.073 0.000 0.413 580 Y N 0.666 121.048 120.300 0.136 0.000 2.181 580 Y HA -0.528 nan 4.550 nan 0.000 0.288 580 Y C 0.801 176.774 175.900 0.122 0.000 1.146 580 Y CA 3.593 61.796 58.100 0.173 0.000 1.164 580 Y CB -0.003 38.546 38.460 0.148 0.000 0.982 580 Y HN -0.287 8.196 8.280 0.339 0.000 0.515 581 A N -2.259 120.717 122.820 0.259 0.000 1.852 581 A HA -0.392 nan 4.320 nan 0.000 0.217 581 A C 2.037 179.646 177.584 0.043 0.000 1.215 581 A CA 2.396 54.523 52.037 0.150 0.000 0.641 581 A CB -0.220 18.846 19.000 0.109 0.000 0.838 581 A HN -0.003 8.247 8.150 0.280 0.068 0.450 582 A N -1.111 121.724 122.820 0.026 0.000 1.851 582 A HA -0.251 nan 4.320 nan 0.000 0.216 582 A C 1.672 179.224 177.584 -0.053 0.000 1.195 582 A CA 2.530 54.560 52.037 -0.011 0.000 0.622 582 A CB -0.077 18.917 19.000 -0.011 0.000 0.831 582 A HN -0.214 7.965 8.150 0.049 0.000 0.444 583 N N -2.848 115.818 118.700 -0.056 0.000 2.597 583 N HA 0.098 nan 4.740 nan 0.000 0.269 583 N C -0.324 175.017 175.510 -0.283 0.000 1.204 583 N CA -0.340 52.620 53.050 -0.151 0.000 0.947 583 N CB -0.861 37.561 38.487 -0.109 0.000 1.258 583 N HN -0.270 8.113 8.380 0.006 0.000 0.508 584 E N 0.506 120.538 120.200 -0.280 0.000 2.130 584 E HA -0.428 nan 4.350 nan 0.000 0.196 584 E C 0.365 176.762 176.600 -0.338 0.000 0.998 584 E CA 2.853 58.989 56.400 -0.440 0.000 0.806 584 E CB -0.265 29.329 29.700 -0.177 0.000 0.738 584 E HN -0.682 7.468 8.360 -0.169 0.108 0.459 585 E N -2.105 117.964 120.200 -0.218 0.000 1.998 585 E HA -0.292 nan 4.350 nan 0.000 0.196 585 E C 2.288 178.779 176.600 -0.182 0.000 1.003 585 E CA 2.866 59.172 56.400 -0.156 0.000 0.829 585 E CB -0.363 29.259 29.700 -0.130 0.000 0.777 585 E HN 0.347 8.584 8.360 -0.192 0.008 0.460 586 R N 0.556 120.875 120.500 -0.301 0.000 2.113 586 R HA -0.282 nan 4.340 nan 0.000 0.244 586 R C 2.170 178.280 176.300 -0.318 0.000 1.142 586 R CA 2.483 58.340 56.100 -0.405 0.000 0.953 586 R CB -0.343 29.524 30.300 -0.721 0.000 0.860 586 R HN 0.058 8.139 8.270 -0.315 0.000 0.438 587 Y N -6.000 114.206 120.300 -0.156 0.000 2.583 587 Y HA 0.069 nan 4.550 nan 0.000 0.294 587 Y C -0.714 175.370 175.900 0.307 0.000 1.170 587 Y CA -1.910 56.064 58.100 -0.211 0.000 1.265 587 Y CB -1.808 36.443 38.460 -0.347 0.000 1.119 587 Y HN -0.451 7.510 8.280 -0.531 0.000 0.522 588 N N 1.263 120.150 118.700 0.311 0.000 2.359 588 N HA -0.321 nan 4.740 nan 0.000 0.261 588 N C 1.210 177.010 175.510 0.485 0.000 1.267 588 N CA 2.337 55.606 53.050 0.365 0.000 0.864 588 N CB -0.157 38.441 38.487 0.184 0.000 1.063 588 N HN -0.796 7.593 8.380 0.155 0.085 0.474 589 G N 3.794 112.904 108.800 0.516 0.000 2.187 589 G HA2 -0.445 nan 3.960 nan 0.000 0.261 589 G HA3 -0.445 nan 3.960 nan 0.000 0.261 589 G C -0.671 174.389 174.900 0.267 0.000 1.000 589 G CA 0.851 46.127 45.100 0.293 0.000 0.718 589 G HN 0.592 9.277 8.290 0.659 0.000 0.519 590 Y N -0.035 120.448 120.300 0.304 0.000 2.379 590 Y HA -0.079 nan 4.550 nan 0.000 0.337 590 Y C -0.377 175.620 175.900 0.161 0.000 1.238 590 Y CA 0.474 58.719 58.100 0.241 0.000 1.405 590 Y CB 1.482 40.131 38.460 0.315 0.000 1.310 590 Y HN -0.682 8.055 8.280 0.845 0.050 0.569 591 T N -2.284 112.436 114.554 0.278 0.000 2.950 591 T HA 0.463 nan 4.350 nan 0.000 0.288 591 T C 0.801 175.638 174.700 0.228 0.000 1.035 591 T CA -2.702 59.511 62.100 0.189 0.000 1.028 591 T CB 3.070 72.004 68.868 0.109 0.000 1.109 591 T HN -0.372 8.114 8.240 0.241 -0.102 0.514 592 I N -0.602 120.069 120.570 0.169 0.000 2.286 592 I HA -0.358 nan 4.170 nan 0.000 0.248 592 I C 1.389 177.629 176.117 0.205 0.000 1.115 592 I CA 2.633 64.030 61.300 0.162 0.000 1.392 592 I CB -1.053 37.023 38.000 0.126 0.000 1.065 592 I HN 0.058 8.349 8.210 0.136 0.000 0.418 593 R N -1.063 119.566 120.500 0.215 0.000 2.152 593 R HA -0.359 nan 4.340 nan 0.000 0.232 593 R C 2.741 179.217 176.300 0.294 0.000 1.117 593 R CA 3.626 59.904 56.100 0.296 0.000 0.981 593 R CB -0.783 29.588 30.300 0.118 0.000 0.870 593 R HN -0.128 8.493 8.270 0.161 -0.255 0.451 594 E N 0.500 120.845 120.200 0.241 0.000 2.047 594 E HA -0.299 nan 4.350 nan 0.000 0.191 594 E C 2.361 179.179 176.600 0.362 0.000 0.987 594 E CA 2.952 59.502 56.400 0.250 0.000 0.799 594 E CB -0.237 29.567 29.700 0.174 0.000 0.752 594 E HN -0.695 7.653 8.360 0.222 0.146 0.449 595 L N -0.105 121.333 121.223 0.359 0.000 1.988 595 L HA -0.262 nan 4.340 nan 0.000 0.207 595 L C 1.826 178.716 176.870 0.034 0.000 1.071 595 L CA 2.846 57.777 54.840 0.152 0.000 0.744 595 L CB -0.812 41.180 42.059 -0.112 0.000 0.893 595 L HN -0.556 7.887 8.230 0.356 0.000 0.433 596 C N -0.946 118.371 119.300 0.028 0.000 2.349 596 C HA -0.554 nan 4.460 nan 0.000 0.274 596 C C 2.300 177.265 174.990 -0.042 0.000 1.178 596 C CA 4.708 63.668 59.018 -0.096 0.000 1.769 596 C CB -2.156 25.504 27.740 -0.133 0.000 2.047 596 C HN 0.531 8.809 8.230 0.080 0.000 0.448 597 Q N -1.761 118.147 119.800 0.180 0.000 2.061 597 Q HA -0.377 nan 4.340 nan 0.000 0.204 597 Q C 2.465 178.594 176.000 0.216 0.000 0.984 597 Q CA 3.063 59.024 55.803 0.263 0.000 0.846 597 Q CB -0.720 28.218 28.738 0.334 0.000 0.902 597 Q HN -0.199 8.256 8.270 0.309 0.000 0.421 598 E N 0.471 120.801 120.200 0.216 0.000 2.012 598 E HA -0.329 nan 4.350 nan 0.000 0.197 598 E C 2.525 179.249 176.600 0.206 0.000 1.007 598 E CA 3.004 59.566 56.400 0.270 0.000 0.816 598 E CB -0.180 29.773 29.700 0.422 0.000 0.762 598 E HN -0.514 7.911 8.360 0.230 0.073 0.451 599 L N -1.286 119.882 121.223 -0.092 0.000 2.043 599 L HA -0.485 nan 4.340 nan 0.000 0.212 599 L C 1.746 178.610 176.870 -0.010 0.000 1.075 599 L CA 3.280 57.853 54.840 -0.444 0.000 0.752 599 L CB -0.207 41.468 42.059 -0.641 0.000 0.891 599 L HN 0.161 8.323 8.230 -0.113 0.000 0.432 600 H N -0.627 118.421 119.070 -0.036 0.000 2.290 600 H HA -0.483 nan 4.556 nan 0.000 0.298 600 H C 2.312 177.678 175.328 0.065 0.000 1.087 600 H CA 4.150 60.216 56.048 0.030 0.000 1.291 600 H CB 0.268 29.991 29.762 -0.065 0.000 1.369 600 H HN 0.132 8.450 8.280 0.083 0.012 0.492 601 D N -1.074 119.277 120.400 -0.082 0.000 2.178 601 D HA -0.318 nan 4.640 nan 0.000 0.201 601 D C 2.128 178.382 176.300 -0.078 0.000 0.980 601 D CA 3.052 56.977 54.000 -0.126 0.000 0.842 601 D CB -0.703 40.111 40.800 0.023 0.000 0.948 601 D HN 0.011 8.433 8.370 0.087 0.000 0.472 602 F N 2.088 121.932 119.950 -0.177 0.000 2.065 602 F HA -0.467 nan 4.527 nan 0.000 0.298 602 F C 1.749 177.315 175.800 -0.390 0.000 1.112 602 F CA 3.600 61.440 58.000 -0.267 0.000 1.212 602 F CB -0.141 38.671 39.000 -0.313 0.000 0.975 602 F HN -0.454 7.833 8.300 0.165 0.112 0.476 603 Y N -4.421 115.698 120.300 -0.302 0.000 2.395 603 Y HA -0.314 nan 4.550 nan 0.000 0.293 603 Y C 1.897 177.471 175.900 -0.543 0.000 1.123 603 Y CA 2.905 60.760 58.100 -0.409 0.000 1.227 603 Y CB -0.555 37.828 38.460 -0.129 0.000 1.012 603 Y HN -0.736 7.341 8.280 -0.339 0.000 0.552 604 K N 0.670 120.721 120.400 -0.582 0.000 1.973 604 K HA -0.383 nan 4.320 nan 0.000 0.210 604 K C 2.743 179.008 176.600 -0.559 0.000 1.045 604 K CA 3.351 59.057 56.287 -0.968 0.000 0.937 604 K CB -0.300 31.747 32.500 -0.755 0.000 0.721 604 K HN -0.501 7.376 8.250 -0.423 0.119 0.438 605 N N -2.311 116.187 118.700 -0.338 0.000 2.272 605 N HA -0.276 nan 4.740 nan 0.000 0.185 605 N C 0.974 176.373 175.510 -0.185 0.000 1.014 605 N CA 2.651 55.584 53.050 -0.196 0.000 0.870 605 N CB -0.257 38.169 38.487 -0.101 0.000 0.975 605 N HN 0.267 8.351 8.380 -0.314 0.108 0.433 606 N N -2.772 115.770 118.700 -0.262 0.000 2.383 606 N HA 0.052 nan 4.740 nan 0.000 0.192 606 N C -0.689 174.784 175.510 -0.061 0.000 1.141 606 N CA 0.100 53.025 53.050 -0.207 0.000 0.851 606 N CB 0.671 38.900 38.487 -0.431 0.000 0.976 606 N HN -0.572 7.547 8.380 -0.345 0.054 0.465 607 N N -0.772 117.840 118.700 -0.147 0.000 2.696 607 N HA -0.369 nan 4.740 nan 0.000 0.249 607 N C 0.734 176.232 175.510 -0.019 0.000 1.090 607 N CA 1.451 54.420 53.050 -0.134 0.000 0.716 607 N CB -0.809 37.622 38.487 -0.093 0.000 1.020 607 N HN 0.114 8.129 8.380 -0.270 0.203 0.548 608 T N 1.392 116.019 114.554 0.122 0.000 2.493 608 T HA -0.482 nan 4.350 nan 0.000 0.256 608 T C 1.396 176.247 174.700 0.251 0.000 1.195 608 T CA 4.553 66.835 62.100 0.303 0.000 1.183 608 T CB -0.319 68.774 68.868 0.375 0.000 0.863 608 T HN 0.160 8.381 8.240 0.019 0.030 0.418 609 F N -1.246 118.822 119.950 0.197 0.000 2.481 609 F HA -0.272 nan 4.527 nan 0.000 0.297 609 F C 1.251 177.005 175.800 -0.076 0.000 1.095 609 F CA 1.718 59.718 58.000 0.000 0.000 1.465 609 F CB -1.163 37.728 39.000 -0.182 0.000 1.098 609 F HN -0.056 8.587 8.300 0.571 0.000 0.585 610 T N 3.545 117.787 114.554 -0.521 0.000 2.809 610 T HA -0.259 nan 4.350 nan 0.000 0.260 610 T C 1.541 175.974 174.700 -0.444 0.000 1.039 610 T CA 4.888 66.646 62.100 -0.571 0.000 1.141 610 T CB -0.483 67.911 68.868 -0.791 0.000 0.869 610 T HN -0.357 7.493 8.240 -0.547 0.062 0.437 611 Y N 0.540 120.787 120.300 -0.088 0.000 2.224 611 Y HA -0.388 nan 4.550 nan 0.000 0.289 611 Y C 1.888 177.725 175.900 -0.105 0.000 1.146 611 Y CA 3.042 61.109 58.100 -0.056 0.000 1.182 611 Y CB -1.040 37.478 38.460 0.097 0.000 0.983 611 Y HN -0.408 7.639 8.280 -0.389 0.000 0.524 612 Q N -2.794 117.016 119.800 0.018 0.000 2.226 612 Q HA -0.338 nan 4.340 nan 0.000 0.204 612 Q C 1.532 177.563 176.000 0.051 0.000 0.975 612 Q CA 2.647 58.403 55.803 -0.078 0.000 0.866 612 Q CB -0.462 28.266 28.738 -0.017 0.000 0.915 612 Q HN -0.551 7.762 8.270 0.097 0.015 0.440 613 K N -1.410 119.006 120.400 0.027 0.000 1.967 613 K HA -0.227 nan 4.320 nan 0.000 0.212 613 K C 2.319 178.948 176.600 0.048 0.000 1.044 613 K CA 2.707 59.028 56.287 0.056 0.000 0.942 613 K CB 0.072 32.568 32.500 -0.007 0.000 0.726 613 K HN -0.548 7.569 8.250 -0.013 0.125 0.440 614 R N -0.656 119.747 120.500 -0.160 0.000 2.133 614 R HA -0.298 nan 4.340 nan 0.000 0.247 614 R C 3.254 179.564 176.300 0.017 0.000 1.151 614 R CA 2.831 58.762 56.100 -0.281 0.000 0.971 614 R CB -0.512 29.253 30.300 -0.891 0.000 0.866 614 R HN -0.632 7.487 8.270 -0.252 0.000 0.447 615 L N -1.506 119.712 121.223 -0.009 0.000 2.263 615 L HA -0.388 nan 4.340 nan 0.000 0.216 615 L C 0.751 177.405 176.870 -0.359 0.000 1.111 615 L CA 2.719 57.471 54.840 -0.147 0.000 0.773 615 L CB -0.032 41.884 42.059 -0.238 0.000 0.906 615 L HN -0.537 7.657 8.230 -0.034 0.016 0.439 616 F N -6.520 113.543 119.950 0.188 0.000 2.729 616 F HA 0.185 nan 4.527 nan 0.000 0.315 616 F C -1.198 174.918 175.800 0.527 0.000 1.102 616 F CA -1.240 56.941 58.000 0.301 0.000 1.204 616 F CB 1.859 40.961 39.000 0.171 0.000 1.052 616 F HN -0.179 8.157 8.300 0.325 0.159 0.551 617 L N 0.031 121.551 121.223 0.496 0.000 2.265 617 L HA 0.187 nan 4.340 nan 0.000 0.288 617 L C -0.038 176.762 176.870 -0.117 0.000 1.058 617 L CA -1.120 53.867 54.840 0.244 0.000 0.809 617 L CB 1.373 43.540 42.059 0.179 0.000 1.179 617 L HN 0.127 8.361 8.230 0.377 0.222 0.429 618 R N 6.943 127.053 120.500 -0.650 0.000 2.117 618 R HA -0.416 nan 4.340 nan 0.000 0.243 618 R C 1.056 176.882 176.300 -0.792 0.000 1.143 618 R CA 3.366 58.569 56.100 -1.494 0.000 0.968 618 R CB 0.098 29.900 30.300 -0.831 0.000 0.863 618 R HN 0.268 8.613 8.270 -0.335 -0.275 0.444 619 E N -1.837 118.149 120.200 -0.356 0.000 2.382 619 E HA -0.116 nan 4.350 nan 0.000 0.190 619 E C 0.174 176.513 176.600 -0.436 0.000 1.125 619 E CA 1.470 57.676 56.400 -0.322 0.000 0.929 619 E CB -1.044 28.504 29.700 -0.254 0.000 1.053 619 E HN 0.236 8.423 8.360 -0.254 0.020 0.475 620 F N -3.199 116.646 119.950 -0.175 0.000 2.895 620 F HA 0.071 nan 4.527 nan 0.000 0.334 620 F C -1.632 174.239 175.800 0.118 0.000 1.252 620 F CA -0.364 57.626 58.000 -0.016 0.000 1.056 620 F CB 1.973 40.986 39.000 0.022 0.000 1.311 620 F HN -0.462 7.622 8.300 -0.144 0.130 0.506 621 F N 1.047 121.019 119.950 0.036 0.000 2.406 621 F HA 0.127 nan 4.527 nan 0.000 0.327 621 F C -0.982 174.770 175.800 -0.080 0.000 1.153 621 F CA -3.643 54.314 58.000 -0.072 0.000 1.218 621 F CB -1.054 37.877 39.000 -0.114 0.000 1.215 621 F HN -0.875 7.428 8.300 0.005 0.000 0.570 622 P HA 0.090 nan 4.420 nan 0.000 0.288 622 P C -1.680 175.624 177.300 0.007 0.000 1.291 622 P CA -0.541 62.547 63.100 -0.021 0.000 0.766 622 P CB 0.949 32.559 31.700 -0.150 0.000 1.242 623 E N 0.002 120.198 120.200 -0.007 0.000 2.113 623 E HA 0.163 nan 4.350 nan 0.000 0.273 623 E C -1.179 175.421 176.600 0.001 0.000 0.924 623 E CA -1.712 54.695 56.400 0.010 0.000 0.764 623 E CB 1.352 31.062 29.700 0.016 0.000 1.104 623 E HN -0.042 8.306 8.360 -0.020 0.000 0.406 624 Q N 8.326 128.136 119.800 0.016 0.000 2.257 624 Q HA -0.187 nan 4.340 nan 0.000 0.273 624 Q C -0.585 175.424 176.000 0.016 0.000 1.153 624 Q CA 0.956 56.769 55.803 0.016 0.000 0.922 624 Q CB -0.108 28.660 28.738 0.050 0.000 1.242 624 Q HN 0.829 9.120 8.270 0.035 0.000 0.409 625 G N 5.907 114.712 108.800 0.008 0.000 2.545 625 G HA2 0.067 nan 3.960 nan 0.000 0.212 625 G HA3 0.067 nan 3.960 nan 0.000 0.212 625 G C -1.100 173.800 174.900 0.000 0.000 1.144 625 G CA 0.066 45.177 45.100 0.017 0.000 0.813 625 G HN 0.329 8.617 8.290 -0.004 0.000 0.531 626 M N 0.358 119.950 119.600 -0.013 0.000 2.446 626 M HA 0.120 nan 4.480 nan 0.000 0.294 626 M C -1.867 174.428 176.300 -0.009 0.000 1.158 626 M CA -0.427 54.855 55.300 -0.031 0.000 0.899 626 M CB 2.827 35.381 32.600 -0.077 0.000 1.687 626 M HN -0.313 7.867 8.290 -0.011 0.103 0.455 627 L N 4.122 125.349 121.223 0.006 0.000 2.461 627 L HA 0.276 nan 4.340 nan 0.000 0.272 627 L C -0.182 176.709 176.870 0.036 0.000 1.197 627 L CA -2.129 52.727 54.840 0.027 0.000 0.836 627 L CB 0.381 42.462 42.059 0.036 0.000 1.105 627 L HN 0.431 8.787 8.230 0.001 -0.125 0.477 628 P HA -0.347 nan 4.420 nan 0.000 0.215 628 P C 1.170 178.501 177.300 0.053 0.000 1.163 628 P CA 2.885 66.005 63.100 0.032 0.000 0.894 628 P CB -0.163 31.555 31.700 0.029 0.000 0.791 629 Y N -1.319 118.969 120.300 -0.021 0.000 2.207 629 Y HA -0.461 nan 4.550 nan 0.000 0.287 629 Y C 1.492 177.382 175.900 -0.016 0.000 1.156 629 Y CA 3.346 61.440 58.100 -0.011 0.000 1.182 629 Y CB -0.225 38.229 38.460 -0.010 0.000 0.979 629 Y HN 0.263 8.663 8.280 0.200 0.000 0.521 630 E N -1.226 119.083 120.200 0.183 0.000 2.015 630 E HA -0.482 nan 4.350 nan 0.000 0.191 630 E C 2.057 178.632 176.600 -0.041 0.000 0.991 630 E CA 2.585 59.034 56.400 0.082 0.000 0.802 630 E CB -0.331 29.400 29.700 0.052 0.000 0.759 630 E HN -0.555 7.911 8.360 0.203 0.016 0.447 631 A N -1.128 121.663 122.820 -0.049 0.000 1.958 631 A HA -0.346 nan 4.320 nan 0.000 0.221 631 A C 2.068 179.639 177.584 -0.023 0.000 1.178 631 A CA 2.992 54.995 52.037 -0.056 0.000 0.642 631 A CB -0.757 18.211 19.000 -0.054 0.000 0.816 631 A HN -0.029 8.106 8.150 -0.024 0.000 0.453 632 R N -1.817 118.643 120.500 -0.066 0.000 2.070 632 R HA -0.371 nan 4.340 nan 0.000 0.232 632 R C 2.216 178.506 176.300 -0.017 0.000 1.138 632 R CA 3.287 59.356 56.100 -0.050 0.000 0.936 632 R CB -0.281 29.930 30.300 -0.149 0.000 0.839 632 R HN -0.530 7.668 8.270 -0.088 0.019 0.429 633 Q N -1.650 118.064 119.800 -0.142 0.000 2.096 633 Q HA -0.390 nan 4.340 nan 0.000 0.208 633 Q C 2.966 178.894 176.000 -0.119 0.000 0.993 633 Q CA 2.853 58.566 55.803 -0.151 0.000 0.862 633 Q CB -0.894 27.756 28.738 -0.146 0.000 0.915 633 Q HN -0.554 7.581 8.270 -0.224 0.000 0.416 634 E N -1.584 118.585 120.200 -0.052 0.000 2.110 634 E HA -0.269 nan 4.350 nan 0.000 0.193 634 E C 2.065 178.678 176.600 0.020 0.000 0.988 634 E CA 2.432 58.837 56.400 0.008 0.000 0.804 634 E CB -0.596 29.131 29.700 0.045 0.000 0.745 634 E HN -0.196 8.130 8.360 -0.050 0.005 0.458 635 F N 0.875 120.786 119.950 -0.066 0.000 2.084 635 F HA -0.260 nan 4.527 nan 0.000 0.296 635 F C 2.523 178.270 175.800 -0.089 0.000 1.111 635 F CA 3.261 61.235 58.000 -0.043 0.000 1.224 635 F CB 0.117 39.101 39.000 -0.028 0.000 0.991 635 F HN -0.281 8.025 8.300 0.204 0.117 0.471 636 I N -1.478 119.063 120.570 -0.047 0.000 2.335 636 I HA -0.488 nan 4.170 nan 0.000 0.251 636 I C 1.360 177.336 176.117 -0.236 0.000 1.129 636 I CA 3.432 64.648 61.300 -0.140 0.000 1.402 636 I CB -0.338 37.615 38.000 -0.079 0.000 1.069 636 I HN 0.289 8.442 8.210 0.091 0.112 0.424 637 R N -4.121 116.179 120.500 -0.334 0.000 2.299 637 R HA -0.079 nan 4.340 nan 0.000 0.197 637 R C -0.263 175.740 176.300 -0.495 0.000 0.971 637 R CA 0.631 56.434 56.100 -0.495 0.000 1.030 637 R CB 0.300 30.046 30.300 -0.923 0.000 0.932 637 R HN -0.083 7.891 8.270 -0.304 0.113 0.477 638 N N -3.726 114.748 118.700 -0.376 0.000 2.967 638 N HA -0.321 nan 4.740 nan 0.000 0.241 638 N C -0.903 174.586 175.510 -0.034 0.000 0.983 638 N CA 1.172 54.087 53.050 -0.224 0.000 0.918 638 N CB -1.273 37.132 38.487 -0.137 0.000 1.109 638 N HN -0.088 7.875 8.380 -0.377 0.191 0.567 639 H N -0.287 118.808 119.070 0.041 0.000 2.998 639 H HA -0.010 nan 4.556 nan 0.000 0.241 639 H C -1.181 174.223 175.328 0.127 0.000 1.852 639 H CA -0.071 56.042 56.048 0.108 0.000 1.419 639 H CB -1.947 27.961 29.762 0.245 0.000 1.793 639 H HN -0.069 8.017 8.280 -0.244 0.048 0.553 640 N N -0.643 118.136 118.700 0.131 0.000 3.116 640 N HA 0.443 nan 4.740 nan 0.000 0.244 640 N C -1.787 173.741 175.510 0.031 0.000 1.485 640 N CA -0.350 52.763 53.050 0.104 0.000 0.884 640 N CB 2.952 41.534 38.487 0.159 0.000 1.415 640 N HN 0.052 8.447 8.380 0.086 0.036 0.524 641 K N -2.967 117.454 120.400 0.035 0.000 2.597 641 K HA 0.142 nan 4.320 nan 0.000 0.282 641 K C -1.871 174.743 176.600 0.024 0.000 0.975 641 K CA -0.493 55.798 56.287 0.006 0.000 0.867 641 K CB 3.423 35.913 32.500 -0.016 0.000 1.465 641 K HN 0.365 8.657 8.250 0.070 0.000 0.417 642 L N 3.028 124.263 121.223 0.020 0.000 2.384 642 L HA 0.191 nan 4.340 nan 0.000 0.258 642 L C -1.005 175.962 176.870 0.160 0.000 1.266 642 L CA -1.209 53.679 54.840 0.080 0.000 1.162 642 L CB -1.364 40.708 42.059 0.021 0.000 1.375 642 L HN 0.265 8.494 8.230 -0.002 0.000 0.420 643 V N 4.498 124.423 119.914 0.019 0.000 2.585 643 V HA 0.031 nan 4.120 nan 0.000 0.296 643 V C -1.609 174.347 176.094 -0.229 0.000 1.035 643 V CA -2.239 60.006 62.300 -0.091 0.000 1.084 643 V CB -0.421 31.303 31.823 -0.165 0.000 0.953 643 V HN -0.531 7.655 8.190 -0.005 0.000 0.483 644 P HA 0.080 nan 4.420 nan 0.000 0.269 644 P C 0.126 177.124 177.300 -0.504 0.000 1.215 644 P CA -0.183 62.477 63.100 -0.733 0.000 0.780 644 P CB 0.563 31.850 31.700 -0.688 0.000 0.898 645 L N 1.891 122.821 121.223 -0.488 0.000 1.976 645 L HA -0.474 nan 4.340 nan 0.000 0.223 645 L C 1.576 178.262 176.870 -0.308 0.000 1.081 645 L CA 3.957 58.554 54.840 -0.406 0.000 0.784 645 L CB -0.898 41.018 42.059 -0.237 0.000 0.896 645 L HN 0.343 8.250 8.230 -0.539 0.000 0.438 646 N N -4.103 114.465 118.700 -0.221 0.000 2.137 646 N HA -0.324 nan 4.740 nan 0.000 0.190 646 N C 0.716 176.140 175.510 -0.142 0.000 1.017 646 N CA 2.658 55.620 53.050 -0.146 0.000 0.859 646 N CB -0.551 37.869 38.487 -0.113 0.000 1.002 646 N HN 0.488 8.729 8.380 -0.231 0.000 0.428 647 K N -2.783 117.511 120.400 -0.178 0.000 2.593 647 K HA 0.246 nan 4.320 nan 0.000 0.208 647 K C -0.332 176.165 176.600 -0.172 0.000 1.051 647 K CA -0.676 55.526 56.287 -0.142 0.000 1.111 647 K CB -0.153 32.278 32.500 -0.115 0.000 0.849 647 K HN -0.629 7.470 8.250 -0.225 0.016 0.479 648 I N 0.639 121.058 120.570 -0.253 0.000 3.883 648 I HA -0.064 nan 4.170 nan 0.000 0.326 648 I C -1.361 174.631 176.117 -0.209 0.000 1.283 648 I CA -0.405 60.694 61.300 -0.335 0.000 1.161 648 I CB 0.845 38.443 38.000 -0.670 0.000 1.012 648 I HN -0.039 7.833 8.210 -0.274 0.173 0.421 649 E N -0.039 120.107 120.200 -0.090 0.000 2.465 649 E HA -0.328 nan 4.350 nan 0.000 0.260 649 E C 0.526 177.172 176.600 0.076 0.000 0.980 649 E CA 1.450 57.875 56.400 0.042 0.000 0.927 649 E CB 0.057 29.777 29.700 0.033 0.000 0.934 649 E HN -0.324 7.909 8.360 -0.109 0.063 0.459 650 G N 6.175 115.065 108.800 0.150 0.000 2.168 650 G HA2 -0.562 nan 3.960 nan 0.000 0.257 650 G HA3 -0.562 nan 3.960 nan 0.000 0.257 650 G C -0.967 174.008 174.900 0.126 0.000 0.997 650 G CA 0.306 45.478 45.100 0.120 0.000 0.708 650 G HN 0.841 9.148 8.290 0.217 0.114 0.520 651 E N -0.700 119.605 120.200 0.175 0.000 2.242 651 E HA 0.252 nan 4.350 nan 0.000 0.275 651 E C -1.077 175.695 176.600 0.287 0.000 1.002 651 E CA -1.916 54.584 56.400 0.166 0.000 0.841 651 E CB 2.320 32.057 29.700 0.062 0.000 1.109 651 E HN -0.601 7.831 8.360 0.216 0.057 0.394 652 I N 1.709 122.418 120.570 0.232 0.000 2.396 652 I HA 0.133 nan 4.170 nan 0.000 0.289 652 I C -0.984 175.279 176.117 0.243 0.000 1.056 652 I CA -0.296 61.128 61.300 0.208 0.000 1.365 652 I CB 0.657 38.770 38.000 0.189 0.000 1.407 652 I HN 0.470 8.802 8.210 0.204 0.000 0.509 653 A N 7.934 130.861 122.820 0.179 0.000 2.331 653 A HA 0.488 nan 4.320 nan 0.000 0.283 653 A C -0.501 177.098 177.584 0.025 0.000 1.142 653 A CA -0.962 51.180 52.037 0.175 0.000 0.812 653 A CB 1.037 20.068 19.000 0.051 0.000 1.074 653 A HN 0.857 9.043 8.150 0.059 0.000 0.497 654 L N 1.411 122.653 121.223 0.033 0.000 2.607 654 L HA 0.069 nan 4.340 nan 0.000 0.228 654 L C -0.753 175.874 176.870 -0.405 0.000 1.123 654 L CA 0.386 55.172 54.840 -0.090 0.000 0.890 654 L CB -0.077 42.070 42.059 0.148 0.000 1.103 654 L HN 0.416 8.717 8.230 0.119 0.000 0.468 655 E N -3.739 116.260 120.200 -0.335 0.000 2.390 655 E HA 0.210 nan 4.350 nan 0.000 0.277 655 E C -1.369 174.948 176.600 -0.471 0.000 0.939 655 E CA -1.943 54.204 56.400 -0.421 0.000 0.769 655 E CB 4.074 33.573 29.700 -0.336 0.000 1.251 655 E HN -0.769 7.399 8.360 -0.193 0.076 0.450 656 G N -0.810 107.503 108.800 -0.813 0.000 2.527 656 G HA2 0.155 nan 3.960 nan 0.000 0.248 656 G HA3 0.155 nan 3.960 nan 0.000 0.248 656 G C -1.000 173.492 174.900 -0.680 0.000 1.231 656 G CA -0.256 44.012 45.100 -1.387 0.000 0.838 656 G HN 0.259 8.105 8.290 -0.740 0.000 0.570 657 A N 2.321 124.846 122.820 -0.493 0.000 2.260 657 A HA 0.299 nan 4.320 nan 0.000 0.312 657 A C -1.471 176.271 177.584 0.264 0.000 1.321 657 A CA -0.938 51.053 52.037 -0.077 0.000 0.928 657 A CB 0.671 19.435 19.000 -0.394 0.000 1.158 657 A HN 0.130 7.887 8.150 -0.656 0.000 0.542 658 L N 3.752 125.187 121.223 0.352 0.000 2.417 658 L HA 0.470 nan 4.340 nan 0.000 0.258 658 L C -2.145 174.877 176.870 0.254 0.000 1.088 658 L CA -3.578 51.450 54.840 0.314 0.000 0.975 658 L CB 1.287 43.547 42.059 0.335 0.000 1.341 658 L HN 0.863 9.176 8.230 0.304 0.100 0.431 659 P HA 0.406 nan 4.420 nan 0.000 0.281 659 P C -2.093 175.145 177.300 -0.105 0.000 1.281 659 P CA -1.129 62.010 63.100 0.065 0.000 0.811 659 P CB 1.706 33.284 31.700 -0.204 0.000 1.154 660 Y N -3.980 116.393 120.300 0.122 0.000 2.332 660 Y HA 0.246 nan 4.550 nan 0.000 0.325 660 Y C -2.034 173.930 175.900 0.106 0.000 1.054 660 Y CA -2.762 55.411 58.100 0.121 0.000 1.119 660 Y CB 2.010 40.535 38.460 0.107 0.000 1.168 660 Y HN -0.463 8.034 8.280 0.363 0.000 0.439 661 P HA 0.352 nan 4.420 nan 0.000 0.274 661 P C -1.718 175.640 177.300 0.096 0.000 1.256 661 P CA -2.012 61.168 63.100 0.133 0.000 0.795 661 P CB 0.296 32.046 31.700 0.084 0.000 1.038 662 P HA 0.062 nan 4.420 nan 0.000 0.267 662 P C -0.082 177.115 177.300 -0.172 0.000 1.289 662 P CA -0.384 62.682 63.100 -0.057 0.000 0.866 662 P CB 0.851 32.498 31.700 -0.087 0.000 1.309 663 G N 0.354 108.861 108.800 -0.487 0.000 2.160 663 G HA2 -0.371 nan 3.960 nan 0.000 0.244 663 G HA3 -0.371 nan 3.960 nan 0.000 0.244 663 G C -1.429 173.276 174.900 -0.324 0.000 1.022 663 G CA 0.657 45.196 45.100 -0.935 0.000 0.741 663 G HN 0.183 8.182 8.290 -0.398 0.052 0.508 664 V N -3.091 116.750 119.914 -0.122 0.000 3.074 664 V HA 0.483 nan 4.120 nan 0.000 0.314 664 V C -0.353 175.779 176.094 0.064 0.000 1.117 664 V CA -2.438 59.845 62.300 -0.028 0.000 1.014 664 V CB 3.161 35.080 31.823 0.159 0.000 1.057 664 V HN -0.694 7.459 8.190 -0.062 0.000 0.438 665 F N 0.905 120.746 119.950 -0.182 0.000 2.553 665 F HA -0.050 nan 4.527 nan 0.000 0.356 665 F C 0.407 176.056 175.800 -0.252 0.000 1.142 665 F CA -0.043 57.781 58.000 -0.293 0.000 1.322 665 F CB 0.274 38.887 39.000 -0.645 0.000 1.126 665 F HN 0.403 8.466 8.300 -0.395 0.000 0.599 666 C N 0.578 119.853 119.300 -0.043 0.000 3.270 666 C HA 0.201 nan 4.460 nan 0.000 0.369 666 C C -1.328 173.438 174.990 -0.373 0.000 1.326 666 C CA -0.110 58.775 59.018 -0.222 0.000 1.846 666 C CB 1.603 29.371 27.740 0.046 0.000 2.534 666 C HN 0.285 8.514 8.230 -0.002 0.000 0.649 667 V N -0.249 119.388 119.914 -0.462 0.000 2.498 667 V HA 0.223 nan 4.120 nan 0.000 0.283 667 V C -1.601 174.130 176.094 -0.604 0.000 1.015 667 V CA -1.397 60.526 62.300 -0.628 0.000 0.867 667 V CB 1.528 32.705 31.823 -1.077 0.000 1.025 667 V HN -0.528 7.418 8.190 -0.407 0.000 0.441 668 A N 7.272 129.837 122.820 -0.425 0.000 2.386 668 A HA 0.396 nan 4.320 nan 0.000 0.246 668 A C -2.620 174.763 177.584 -0.336 0.000 1.089 668 A CA -2.107 49.728 52.037 -0.335 0.000 0.790 668 A CB -0.426 18.611 19.000 0.061 0.000 1.042 668 A HN 0.407 8.634 8.150 -0.361 -0.294 0.497 669 P HA -0.147 nan 4.420 nan 0.000 0.268 669 P C -0.397 176.832 177.300 -0.119 0.000 1.204 669 P CA 0.703 63.673 63.100 -0.217 0.000 0.768 669 P CB -0.132 31.466 31.700 -0.171 0.000 0.842 670 G N 5.473 114.213 108.800 -0.100 0.000 2.241 670 G HA2 -0.403 nan 3.960 nan 0.000 0.244 670 G HA3 -0.403 nan 3.960 nan 0.000 0.244 670 G C -0.544 174.321 174.900 -0.058 0.000 0.998 670 G CA 0.003 45.069 45.100 -0.057 0.000 0.621 670 G HN 1.006 9.119 8.290 -0.107 0.113 0.519 671 E N 2.872 123.003 120.200 -0.114 0.000 2.354 671 E HA 0.139 nan 4.350 nan 0.000 0.269 671 E C -0.690 175.829 176.600 -0.134 0.000 1.036 671 E CA -0.244 56.077 56.400 -0.132 0.000 0.876 671 E CB 1.234 30.803 29.700 -0.218 0.000 1.009 671 E HN -0.524 7.648 8.360 -0.157 0.094 0.416 672 K N 2.132 122.494 120.400 -0.064 0.000 2.227 672 K HA 0.328 nan 4.320 nan 0.000 0.280 672 K C 0.453 177.042 176.600 -0.017 0.000 1.041 672 K CA -1.435 54.862 56.287 0.017 0.000 0.905 672 K CB 0.387 32.927 32.500 0.066 0.000 1.068 672 K HN 0.591 8.704 8.250 -0.047 0.109 0.470 673 W N 4.788 126.048 121.300 -0.065 0.000 2.561 673 W HA -0.376 nan 4.660 nan 0.000 0.343 673 W C -0.208 176.282 176.519 -0.049 0.000 1.190 673 W CA 1.904 59.197 57.345 -0.087 0.000 1.232 673 W CB -0.471 28.928 29.460 -0.102 0.000 1.195 673 W HN 0.864 9.137 8.180 0.298 0.086 0.571 674 S N 4.691 120.428 115.700 0.061 0.000 2.652 674 S HA 0.009 nan 4.470 nan 0.000 0.270 674 S C 0.845 175.537 174.600 0.153 0.000 1.243 674 S CA -0.831 57.425 58.200 0.094 0.000 0.999 674 S CB 2.600 65.835 63.200 0.059 0.000 0.973 674 S HN -0.184 8.062 8.310 -0.107 0.000 0.544 675 E N 2.474 122.759 120.200 0.141 0.000 2.077 675 E HA -0.309 nan 4.350 nan 0.000 0.193 675 E C 1.376 178.068 176.600 0.152 0.000 0.989 675 E CA 3.566 60.049 56.400 0.137 0.000 0.800 675 E CB -0.519 29.259 29.700 0.131 0.000 0.746 675 E HN 0.750 9.187 8.360 0.128 0.000 0.452 676 T N 1.121 115.794 114.554 0.198 0.000 2.569 676 T HA -0.307 nan 4.350 nan 0.000 0.263 676 T C 1.734 176.560 174.700 0.210 0.000 1.074 676 T CA 3.225 65.461 62.100 0.227 0.000 1.176 676 T CB -0.764 68.251 68.868 0.245 0.000 0.863 676 T HN -0.165 8.195 8.240 0.211 0.007 0.410 677 A N 1.062 124.014 122.820 0.219 0.000 1.873 677 A HA -0.408 nan 4.320 nan 0.000 0.219 677 A C 1.618 179.489 177.584 0.479 0.000 1.269 677 A CA 3.114 55.350 52.037 0.330 0.000 0.671 677 A CB -1.044 17.987 19.000 0.052 0.000 0.842 677 A HN -0.575 7.671 8.150 0.160 0.000 0.460 678 V N -1.156 118.973 119.914 0.358 0.000 2.313 678 V HA -0.555 nan 4.120 nan 0.000 0.253 678 V C 2.192 178.413 176.094 0.211 0.000 1.070 678 V CA 4.534 67.001 62.300 0.279 0.000 1.057 678 V CB -1.127 30.792 31.823 0.161 0.000 0.653 678 V HN -0.203 8.175 8.190 0.314 0.000 0.450 679 K N -0.389 120.076 120.400 0.109 0.000 2.031 679 K HA -0.321 nan 4.320 nan 0.000 0.205 679 K C 1.574 178.164 176.600 -0.017 0.000 1.049 679 K CA 3.295 59.540 56.287 -0.070 0.000 0.939 679 K CB -0.173 32.101 32.500 -0.377 0.000 0.717 679 K HN -0.273 7.936 8.250 0.112 0.108 0.438 680 Y N 0.705 120.999 120.300 -0.011 0.000 2.081 680 Y HA -0.498 nan 4.550 nan 0.000 0.280 680 Y C 2.027 177.997 175.900 0.116 0.000 1.163 680 Y CA 3.600 61.736 58.100 0.060 0.000 1.135 680 Y CB -0.111 38.434 38.460 0.142 0.000 0.970 680 Y HN -0.436 7.921 8.280 0.239 0.066 0.498 681 F N -3.690 116.330 119.950 0.117 0.000 2.161 681 F HA -0.446 nan 4.527 nan 0.000 0.300 681 F C 2.131 177.956 175.800 0.043 0.000 1.089 681 F CA 4.535 62.588 58.000 0.087 0.000 1.282 681 F CB -0.830 38.312 39.000 0.237 0.000 1.010 681 F HN 0.411 9.276 8.300 0.942 0.000 0.485 682 T N 3.257 117.930 114.554 0.198 0.000 2.867 682 T HA -0.338 nan 4.350 nan 0.000 0.268 682 T C 2.188 176.941 174.700 0.088 0.000 1.057 682 T CA 4.802 66.975 62.100 0.120 0.000 1.136 682 T CB -0.694 68.210 68.868 0.059 0.000 0.874 682 T HN -0.151 8.118 8.240 0.219 0.103 0.466 683 I N 1.670 122.227 120.570 -0.022 0.000 2.179 683 I HA -0.544 nan 4.170 nan 0.000 0.242 683 I C 1.468 177.661 176.117 0.127 0.000 1.088 683 I CA 4.296 65.555 61.300 -0.068 0.000 1.357 683 I CB -0.499 37.355 38.000 -0.242 0.000 1.051 683 I HN 0.076 8.134 8.210 -0.071 0.110 0.409 684 L N -1.073 120.146 121.223 -0.007 0.000 1.989 684 L HA -0.468 nan 4.340 nan 0.000 0.211 684 L C 2.168 179.160 176.870 0.203 0.000 1.071 684 L CA 3.488 58.379 54.840 0.085 0.000 0.749 684 L CB -1.253 40.743 42.059 -0.105 0.000 0.890 684 L HN -0.455 7.661 8.230 -0.191 0.000 0.431 685 Q N -0.899 119.039 119.800 0.230 0.000 2.061 685 Q HA -0.465 nan 4.340 nan 0.000 0.204 685 Q C 2.545 178.645 176.000 0.167 0.000 0.984 685 Q CA 3.531 59.497 55.803 0.271 0.000 0.846 685 Q CB -0.218 28.729 28.738 0.348 0.000 0.902 685 Q HN 0.623 8.907 8.270 0.212 0.113 0.421 686 D N -1.631 118.884 120.400 0.192 0.000 2.178 686 D HA -0.185 nan 4.640 nan 0.000 0.202 686 D C 1.872 178.171 176.300 -0.001 0.000 0.974 686 D CA 2.337 56.408 54.000 0.119 0.000 0.841 686 D CB -0.436 40.478 40.800 0.189 0.000 0.953 686 D HN 0.068 8.468 8.370 0.229 0.108 0.478 687 G N -1.336 107.586 108.800 0.204 0.000 2.422 687 G HA2 -0.196 nan 3.960 nan 0.000 0.218 687 G HA3 -0.196 nan 3.960 nan 0.000 0.218 687 G C 0.943 175.911 174.900 0.113 0.000 1.140 687 G CA 1.324 46.487 45.100 0.105 0.000 0.775 687 G HN 0.015 8.346 8.290 0.417 0.209 0.545 688 I N 1.257 121.877 120.570 0.084 0.000 2.252 688 I HA -0.408 nan 4.170 nan 0.000 0.245 688 I C 1.053 177.143 176.117 -0.045 0.000 1.102 688 I CA 3.366 64.672 61.300 0.011 0.000 1.385 688 I CB -0.088 37.825 38.000 -0.146 0.000 1.064 688 I HN -0.026 8.138 8.210 0.104 0.108 0.414 689 N N 0.564 119.214 118.700 -0.084 0.000 3.259 689 N HA -0.007 nan 4.740 nan 0.000 0.308 689 N C -1.251 174.123 175.510 -0.228 0.000 1.334 689 N CA 0.957 53.934 53.050 -0.122 0.000 1.202 689 N CB -1.568 36.872 38.487 -0.079 0.000 1.485 689 N HN -0.443 7.810 8.380 -0.055 0.094 0.549 690 N N -1.929 116.594 118.700 -0.294 0.000 2.458 690 N HA -0.053 nan 4.740 nan 0.000 0.329 690 N C -1.821 173.232 175.510 -0.760 0.000 0.778 690 N CA 1.467 54.155 53.050 -0.603 0.000 0.837 690 N CB 1.838 39.799 38.487 -0.876 0.000 2.427 690 N HN -0.403 7.803 8.380 -0.179 0.066 1.134 691 F N -0.054 119.885 119.950 -0.018 0.000 2.584 691 F HA 0.514 nan 4.527 nan 0.000 0.328 691 F C -2.906 173.110 175.800 0.360 0.000 1.407 691 F CA -3.070 55.060 58.000 0.217 0.000 1.145 691 F CB 0.659 39.727 39.000 0.113 0.000 1.440 691 F HN -0.606 7.684 8.300 -0.018 0.000 0.580 692 P HA -0.048 nan 4.420 nan 0.000 0.265 692 P C -0.032 177.430 177.300 0.271 0.000 1.193 692 P CA 0.380 63.593 63.100 0.188 0.000 0.765 692 P CB 0.152 31.859 31.700 0.011 0.000 0.823 693 G N 2.171 110.984 108.800 0.022 0.000 2.137 693 G HA2 -0.326 nan 3.960 nan 0.000 0.237 693 G HA3 -0.326 nan 3.960 nan 0.000 0.237 693 G C -0.739 173.712 174.900 -0.748 0.000 1.002 693 G CA 0.571 45.490 45.100 -0.301 0.000 0.702 693 G HN 0.668 8.970 8.290 0.020 0.000 0.515 694 F N -3.108 116.912 119.950 0.117 0.000 3.033 694 F HA 0.054 nan 4.527 nan 0.000 0.332 694 F C -1.262 174.603 175.800 0.107 0.000 1.266 694 F CA -1.240 56.819 58.000 0.097 0.000 0.998 694 F CB 1.265 40.324 39.000 0.098 0.000 1.438 694 F HN -0.761 7.605 8.300 0.176 0.039 0.501 695 A N 1.390 124.318 122.820 0.180 0.000 2.454 695 A HA 0.235 nan 4.320 nan 0.000 0.260 695 A C -1.447 176.198 177.584 0.103 0.000 1.106 695 A CA -1.216 50.896 52.037 0.125 0.000 0.780 695 A CB -0.245 18.767 19.000 0.021 0.000 1.044 695 A HN -0.387 7.825 8.150 0.103 0.000 0.498 696 P HA -0.000 nan 4.420 nan 0.000 0.271 696 P C -1.732 175.643 177.300 0.125 0.000 1.216 696 P CA -0.386 62.796 63.100 0.136 0.000 0.776 696 P CB 0.575 32.370 31.700 0.160 0.000 0.881 697 E N 3.015 123.278 120.200 0.105 0.000 2.217 697 E HA -0.024 nan 4.350 nan 0.000 0.279 697 E C -1.741 175.024 176.600 0.274 0.000 1.068 697 E CA -0.604 55.828 56.400 0.053 0.000 0.882 697 E CB -0.671 28.887 29.700 -0.237 0.000 1.039 697 E HN 0.337 8.760 8.360 0.105 0.000 0.418 698 I N 1.718 122.474 120.570 0.309 0.000 2.846 698 I HA 0.374 nan 4.170 nan 0.000 0.307 698 I C -0.674 175.640 176.117 0.328 0.000 1.053 698 I CA -2.151 59.394 61.300 0.408 0.000 1.050 698 I CB 2.158 40.442 38.000 0.473 0.000 1.239 698 I HN 0.060 8.424 8.210 0.257 0.000 0.439 699 Q N 2.282 122.272 119.800 0.316 0.000 2.377 699 Q HA 0.299 nan 4.340 nan 0.000 0.279 699 Q C -0.749 175.314 176.000 0.106 0.000 1.049 699 Q CA -0.601 55.307 55.803 0.175 0.000 0.825 699 Q CB 3.852 32.730 28.738 0.235 0.000 1.401 699 Q HN 0.054 8.456 8.270 0.387 0.100 0.404 700 G N 0.605 109.356 108.800 -0.080 0.000 2.195 700 G HA2 -0.373 nan 3.960 nan 0.000 0.246 700 G HA3 -0.373 nan 3.960 nan 0.000 0.246 700 G C -2.041 172.786 174.900 -0.121 0.000 0.984 700 G CA 0.262 45.314 45.100 -0.081 0.000 0.633 700 G HN 0.416 8.596 8.290 -0.184 0.000 0.525 701 V N -0.453 119.294 119.914 -0.279 0.000 2.823 701 V HA 0.448 nan 4.120 nan 0.000 0.312 701 V C -1.224 174.510 176.094 -0.599 0.000 1.072 701 V CA -1.950 60.194 62.300 -0.259 0.000 0.937 701 V CB 2.983 34.754 31.823 -0.087 0.000 1.013 701 V HN -0.803 7.140 8.190 -0.265 0.088 0.430 702 Y N 2.041 122.216 120.300 -0.209 0.000 2.446 702 Y HA 0.270 nan 4.550 nan 0.000 0.345 702 Y C -1.046 174.688 175.900 -0.277 0.000 0.984 702 Y CA -2.278 55.730 58.100 -0.154 0.000 1.058 702 Y CB 3.430 41.865 38.460 -0.041 0.000 1.220 702 Y HN 0.231 8.543 8.280 0.128 0.044 0.455 703 F N 2.143 122.250 119.950 0.262 0.000 2.293 703 F HA 0.108 nan 4.527 nan 0.000 0.370 703 F C -0.532 175.368 175.800 0.167 0.000 1.090 703 F CA -0.909 57.223 58.000 0.219 0.000 1.133 703 F CB 0.390 39.483 39.000 0.154 0.000 1.360 703 F HN 0.183 8.703 8.300 0.367 0.000 0.489 704 K N 5.009 125.601 120.400 0.320 0.000 2.339 704 K HA -0.016 nan 4.320 nan 0.000 0.286 704 K C -0.237 176.498 176.600 0.225 0.000 1.050 704 K CA -1.726 54.661 56.287 0.167 0.000 0.956 704 K CB 0.469 32.983 32.500 0.022 0.000 0.990 704 K HN 0.376 8.884 8.250 0.429 0.000 0.475 705 Q N 5.104 124.989 119.800 0.142 0.000 2.388 705 Q HA -0.075 nan 4.340 nan 0.000 0.246 705 Q C -0.160 175.896 176.000 0.092 0.000 1.246 705 Q CA 0.021 55.889 55.803 0.109 0.000 0.895 705 Q CB -0.454 28.325 28.738 0.068 0.000 1.510 705 Q HN 0.595 8.929 8.270 0.107 0.000 0.503 706 E N 9.154 129.418 120.200 0.107 0.000 1.932 706 E HA 0.054 nan 4.350 nan 0.000 0.259 706 E C -0.109 176.519 176.600 0.046 0.000 1.099 706 E CA -1.731 54.718 56.400 0.083 0.000 0.970 706 E CB -0.935 28.825 29.700 0.099 0.000 1.143 706 E HN -0.143 8.293 8.360 0.127 0.000 0.441 707 G N 7.562 116.381 108.800 0.033 0.000 2.620 707 G HA2 -0.520 nan 3.960 nan 0.000 0.315 707 G HA3 -0.520 nan 3.960 nan 0.000 0.315 707 G C -0.144 174.760 174.900 0.007 0.000 1.179 707 G CA 1.857 46.966 45.100 0.015 0.000 0.971 707 G HN -0.231 8.081 8.290 0.036 0.000 0.544 708 D N 4.532 124.930 120.400 -0.003 0.000 2.162 708 D HA -0.084 nan 4.640 nan 0.000 0.203 708 D C 0.514 176.803 176.300 -0.017 0.000 0.967 708 D CA 1.246 55.236 54.000 -0.017 0.000 0.840 708 D CB 0.353 41.136 40.800 -0.028 0.000 0.972 708 D HN 0.207 8.577 8.370 -0.001 0.000 0.482 709 K N -1.821 118.577 120.400 -0.003 0.000 2.139 709 K HA 0.334 nan 4.320 nan 0.000 0.243 709 K C -2.091 174.537 176.600 0.047 0.000 0.983 709 K CA -1.668 54.622 56.287 0.005 0.000 0.890 709 K CB 2.290 34.794 32.500 0.006 0.000 1.090 709 K HN -0.617 7.636 8.250 0.005 0.000 0.445 710 V N -0.553 119.399 119.914 0.063 0.000 2.973 710 V HA 0.526 nan 4.120 nan 0.000 0.314 710 V C -1.131 175.122 176.094 0.265 0.000 1.066 710 V CA -2.171 60.218 62.300 0.148 0.000 1.021 710 V CB 1.325 33.203 31.823 0.090 0.000 1.076 710 V HN -0.333 8.152 8.190 0.025 -0.280 0.462 711 V N 3.187 123.347 119.914 0.410 0.000 2.686 711 V HA 0.307 nan 4.120 nan 0.000 0.306 711 V C -1.798 174.527 176.094 0.385 0.000 1.065 711 V CA -1.766 60.759 62.300 0.375 0.000 0.894 711 V CB 4.256 36.212 31.823 0.221 0.000 1.004 711 V HN 0.583 8.994 8.190 0.436 0.041 0.424 712 A N 5.928 128.827 122.820 0.132 0.000 2.407 712 A HA 0.553 nan 4.320 nan 0.000 0.248 712 A C -1.717 175.791 177.584 -0.126 0.000 1.082 712 A CA -0.544 51.332 52.037 -0.268 0.000 0.785 712 A CB 1.124 19.958 19.000 -0.277 0.000 1.020 712 A HN 0.069 8.572 8.150 0.200 -0.234 0.489 713 Y N -0.451 119.725 120.300 -0.205 0.000 2.442 713 Y HA 0.267 nan 4.550 nan 0.000 0.330 713 Y C -1.037 174.851 175.900 -0.020 0.000 1.100 713 Y CA -0.448 57.581 58.100 -0.118 0.000 1.034 713 Y CB 4.580 43.011 38.460 -0.049 0.000 1.285 713 Y HN 0.218 8.506 8.280 0.001 -0.008 0.440 714 G N 0.688 109.510 108.800 0.036 0.000 2.448 714 G HA2 0.470 nan 3.960 nan 0.000 0.324 714 G HA3 0.470 nan 3.960 nan 0.000 0.324 714 G C -2.182 172.795 174.900 0.129 0.000 1.203 714 G CA -1.896 43.271 45.100 0.112 0.000 0.954 714 G HN 0.410 8.624 8.290 -0.127 0.000 0.480 715 E N 2.020 122.356 120.200 0.227 0.000 2.292 715 E HA 0.011 nan 4.350 nan 0.000 0.265 715 E C -0.982 175.748 176.600 0.218 0.000 1.093 715 E CA 0.312 56.849 56.400 0.228 0.000 0.922 715 E CB -0.136 29.797 29.700 0.388 0.000 1.001 715 E HN 0.284 8.839 8.360 0.325 0.000 0.444 716 V N 5.664 125.682 119.914 0.173 0.000 2.919 716 V HA 0.530 nan 4.120 nan 0.000 0.316 716 V C -0.915 175.306 176.094 0.212 0.000 1.077 716 V CA -1.889 60.520 62.300 0.182 0.000 0.977 716 V CB 3.959 35.835 31.823 0.088 0.000 1.039 716 V HN 0.257 8.526 8.190 0.131 0.000 0.441 717 Y N 4.700 125.067 120.300 0.112 0.000 2.497 717 Y HA -0.150 nan 4.550 nan 0.000 0.334 717 Y C -1.176 174.771 175.900 0.078 0.000 1.199 717 Y CA -0.229 57.933 58.100 0.104 0.000 1.425 717 Y CB 0.515 39.028 38.460 0.089 0.000 1.291 717 Y HN 0.406 8.775 8.280 0.322 0.104 0.562 718 D N 7.614 127.644 120.400 -0.617 0.000 2.408 718 D HA 0.149 nan 4.640 nan 0.000 0.261 718 D C -0.679 175.082 176.300 -0.897 0.000 1.190 718 D CA -1.647 52.026 54.000 -0.545 0.000 0.910 718 D CB 0.485 41.170 40.800 -0.193 0.000 1.097 718 D HN -0.342 7.706 8.370 -0.392 0.087 0.522 719 A N 5.483 127.652 122.820 -1.085 0.000 2.019 719 A HA -0.262 nan 4.320 nan 0.000 0.219 719 A C 1.761 179.198 177.584 -0.246 0.000 1.164 719 A CA 2.994 54.656 52.037 -0.625 0.000 0.644 719 A CB -0.167 18.709 19.000 -0.206 0.000 0.805 719 A HN 0.647 8.253 8.150 -0.908 0.000 0.449 720 E N -1.033 119.039 120.200 -0.214 0.000 2.016 720 E HA -0.208 nan 4.350 nan 0.000 0.190 720 E C 2.140 178.679 176.600 -0.102 0.000 0.985 720 E CA 2.563 58.891 56.400 -0.119 0.000 0.802 720 E CB -0.165 29.480 29.700 -0.092 0.000 0.762 720 E HN -0.388 7.880 8.360 -0.256 -0.061 0.448 721 V N 0.375 120.228 119.914 -0.101 0.000 2.282 721 V HA -0.433 nan 4.120 nan 0.000 0.249 721 V C 1.493 177.540 176.094 -0.078 0.000 1.057 721 V CA 3.954 66.227 62.300 -0.044 0.000 1.032 721 V CB -0.748 31.077 31.823 0.004 0.000 0.645 721 V HN 0.088 8.639 8.190 -0.123 -0.435 0.447 722 A N -3.191 119.521 122.820 -0.180 0.000 1.841 722 A HA -0.334 nan 4.320 nan 0.000 0.216 722 A C 1.901 179.327 177.584 -0.263 0.000 1.199 722 A CA 2.924 54.667 52.037 -0.489 0.000 0.621 722 A CB -0.693 18.185 19.000 -0.203 0.000 0.835 722 A HN -0.210 7.847 8.150 -0.157 -0.001 0.445 723 K N -1.011 119.312 120.400 -0.127 0.000 2.107 723 K HA -0.333 nan 4.320 nan 0.000 0.211 723 K C 1.865 178.438 176.600 -0.045 0.000 1.049 723 K CA 2.730 58.981 56.287 -0.060 0.000 0.927 723 K CB -0.124 32.349 32.500 -0.044 0.000 0.714 723 K HN 0.210 8.171 8.250 -0.133 0.210 0.452 724 N N -4.258 114.413 118.700 -0.047 0.000 2.336 724 N HA 0.083 nan 4.740 nan 0.000 0.189 724 N C -0.947 174.557 175.510 -0.011 0.000 1.113 724 N CA 0.493 53.528 53.050 -0.024 0.000 0.858 724 N CB 0.448 38.922 38.487 -0.021 0.000 0.970 724 N HN -0.139 8.187 8.380 -0.061 0.018 0.471 725 D N 1.517 121.913 120.400 -0.007 0.000 2.402 725 D HA 0.076 nan 4.640 nan 0.000 0.235 725 D C -0.084 176.230 176.300 0.024 0.000 1.226 725 D CA -1.112 52.915 54.000 0.045 0.000 0.918 725 D CB 0.014 40.917 40.800 0.172 0.000 1.043 725 D HN -0.039 8.121 8.370 -0.047 0.182 0.506 726 D N 5.213 125.601 120.400 -0.019 0.000 2.411 726 D HA -0.249 nan 4.640 nan 0.000 0.226 726 D C 0.549 176.770 176.300 -0.132 0.000 0.988 726 D CA 1.429 55.400 54.000 -0.049 0.000 0.938 726 D CB -0.877 39.897 40.800 -0.042 0.000 0.883 726 D HN -0.085 8.277 8.370 -0.014 0.000 0.525 727 R N -2.853 117.487 120.500 -0.266 0.000 2.193 727 R HA -0.119 nan 4.340 nan 0.000 0.213 727 R C 0.437 176.243 176.300 -0.823 0.000 1.055 727 R CA 1.627 57.345 56.100 -0.636 0.000 0.995 727 R CB 0.839 30.552 30.300 -0.977 0.000 0.893 727 R HN -0.668 7.625 8.270 -0.178 -0.130 0.459 728 Y N -2.576 117.765 120.300 0.068 0.000 2.396 728 Y HA 0.092 nan 4.550 nan 0.000 0.332 728 Y C -1.696 174.228 175.900 0.041 0.000 1.034 728 Y CA -0.849 57.292 58.100 0.068 0.000 1.057 728 Y CB 1.694 40.225 38.460 0.118 0.000 1.220 728 Y HN -0.376 7.814 8.280 -0.094 0.034 0.440 729 N N 0.403 119.194 118.700 0.152 0.000 2.531 729 N HA -0.094 nan 4.740 nan 0.000 0.302 729 N C -1.474 174.077 175.510 0.068 0.000 0.681 729 N CA 0.428 53.532 53.050 0.090 0.000 0.948 729 N CB 0.064 38.582 38.487 0.051 0.000 2.233 729 N HN 0.261 8.729 8.380 0.148 0.000 1.422 730 N N 0.000 118.730 118.700 0.051 0.000 1.763 730 N HA 0.000 nan 4.740 nan 0.000 0.220 730 N CA 0.000 53.074 53.050 0.039 0.000 0.885 730 N CB 0.000 38.501 38.487 0.023 0.000 1.341 730 N HN 0.000 8.406 8.380 0.043 0.000 0.667