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 3dy5_1_A DATA FIRST_RESID 3 DATA SEQUENCE WKNFGFEIFG EKYGQEELEK RIKDEHTPPP DSPVFGGLKL KLKKEKFKTL DATA SEQUENCE FTLGTTLKGF RRATHTVGTG GIGEITIVND PKFPEHEFFT AGRTFPARLR DATA SEQUENCE HANLKYPDDA GADARSFSIK FADSDSDGPL DIVMNTGEAN IFWNSPSLED DATA SEQUENCE FVPVEEGDAA EEYVYKNPYY YYNLVEALRR APDTFAHLYY YSQVTMPFKA DATA SEQUENCE KDGKVRYCRY RALPGDVDIK EEDESGRLTE EEQRKIWIFS RHENEKRPDD DATA SEQUENCE YLRKEYVERL QKGPVNYRLQ IQIHEASPDD TATIFHAGIL WDKETHPWFD DATA SEQUENCE LAKVSIKTPL SPDVLEKTAF NIANQPASLG LLEAKSPEDY NSIGELRVAV DATA SEQUENCE YTWVQHLRKL KIGSLXXXXX NAIYNVEVET GDREHAGTDA TITIRITGAK DATA SEQUENCE GRTDYLKLXX XXXXXFEAGS KEQYTVQGFD VGDIQLIELH SDGGGXXSGD DATA SEQUENCE PDWFVNRVII ISSTQDRVYS FPCFRWVIKD MVLFPGEATL PFNEVPAIVS DATA SEQUENCE EQRQKELEQR KLTYQWDYVS DDMPGNIKAK THDDLPRDVQ FTDEKSRSYQ DATA SEQUENCE ESRKAALVNL GIGSLXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXWHED DATA SEQUENCE RWFGYQFLNG ANPVILTRCD ALPSNFPVTN EHVNASLDRG KNLDEEIKDG DATA SEQUENCE HIYIVDFKVL VGAKSYGGPV LEDIGXXXXX XXXXXEADIR YCAAPLALFY DATA SEQUENCE VNKLGHLMPI AIQINQEPGP ENPIWTPHEE NEHDWMMAKF WLGVAESNFH DATA SEQUENCE QLNTHLLRTH LTTESFALST WRNLASAHPI FKLLQPHIYG VLAIDTIGRK DATA SEQUENCE ELIGSGGIVD QSLSLGGGGH VTFMEKCFKE VNLQDYHLPN ALKKRGVDDP DATA SEQUENCE SKLPGFYYRD DGLALWEAIE TFIGEIIAIF YKNDDDVKRD NEIQSWIYDV DATA SEQUENCE HKNGWRVNPG HQDHGVPASF ESREQLKEVL TSLVFTFSCQ HAAVNFSQKX DATA SEQUENCE XXXXXXNAPA ILRHPPPKKK GEATLQSILS TLPSKSQAAK AIATVYILTK DATA SEQUENCE FSEDERYLGN YSATAWEDKD ALDAINRFQD KLEDISKKIK QRNENLEVPY DATA SEQUENCE IYLLPERIPN GTAI 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 3 W HA 0.000 nan 4.660 nan 0.000 0.303 3 W C 0.000 176.570 176.519 0.085 0.000 1.175 3 W CA 0.000 57.380 57.345 0.058 0.000 1.226 3 W CB 0.000 29.477 29.460 0.028 0.000 1.126 4 K N 2.787 122.974 120.400 -0.355 0.000 2.258 4 K HA 0.358 4.679 4.320 0.001 0.000 0.236 4 K C -0.609 175.540 176.600 -0.752 0.000 1.008 4 K CA -0.870 55.245 56.287 -0.286 0.000 0.869 4 K CB 1.755 34.215 32.500 -0.067 0.000 1.171 4 K HN 0.421 nan 8.250 nan 0.000 0.447 5 N N 2.068 120.578 118.700 -0.317 0.000 3.322 5 N HA 0.102 4.842 4.740 0.001 0.000 0.290 5 N C -0.829 174.636 175.510 -0.076 0.000 1.297 5 N CA -0.130 52.827 53.050 -0.156 0.000 1.167 5 N CB -0.450 38.216 38.487 0.298 0.000 1.434 5 N HN 0.342 nan 8.380 nan 0.000 0.526 6 F N 0.582 120.386 119.950 -0.242 0.000 2.626 6 F HA 0.133 4.661 4.527 0.001 0.000 0.368 6 F C 1.657 177.393 175.800 -0.107 0.000 1.227 6 F CA 0.266 58.171 58.000 -0.158 0.000 1.302 6 F CB 0.034 38.920 39.000 -0.190 0.000 1.733 6 F HN 0.431 nan 8.300 nan 0.000 0.672 7 G N -0.063 108.740 108.800 0.006 0.000 3.083 7 G HA2 -0.139 3.821 3.960 0.001 0.000 0.210 7 G HA3 -0.139 3.821 3.960 0.001 0.000 0.210 7 G C 1.052 175.853 174.900 -0.166 0.000 1.571 7 G CA -0.121 44.903 45.100 -0.126 0.000 0.727 7 G HN 0.371 nan 8.290 nan 0.000 0.988 8 F N 1.842 121.703 119.950 -0.149 0.000 2.065 8 F HA -0.049 4.478 4.527 0.001 0.000 0.298 8 F C 2.552 178.209 175.800 -0.237 0.000 1.112 8 F CA 2.473 60.301 58.000 -0.286 0.000 1.212 8 F CB 0.246 38.875 39.000 -0.618 0.000 0.975 8 F HN 0.247 nan 8.300 nan 0.000 0.476 9 E N 0.390 120.519 120.200 -0.118 0.000 2.130 9 E HA -0.256 4.094 4.350 0.001 0.000 0.196 9 E C 2.117 178.640 176.600 -0.129 0.000 0.998 9 E CA 1.684 57.984 56.400 -0.167 0.000 0.806 9 E CB -0.280 29.265 29.700 -0.258 0.000 0.738 9 E HN 0.521 nan 8.360 nan 0.000 0.459 10 I N 0.423 120.899 120.570 -0.156 0.000 2.700 10 I HA -0.222 3.949 4.170 0.001 0.000 0.261 10 I C 1.943 178.068 176.117 0.014 0.000 1.219 10 I CA 0.444 61.676 61.300 -0.114 0.000 1.463 10 I CB -0.259 37.544 38.000 -0.329 0.000 1.092 10 I HN 0.149 nan 8.210 nan 0.000 0.452 11 F N 1.773 121.594 119.950 -0.214 0.000 2.118 11 F HA 0.014 4.542 4.527 0.001 0.000 0.293 11 F C 2.458 178.240 175.800 -0.031 0.000 1.102 11 F CA 1.564 59.492 58.000 -0.120 0.000 1.247 11 F CB -0.731 38.071 39.000 -0.330 0.000 1.017 11 F HN -0.017 nan 8.300 nan 0.000 0.475 12 G N -0.572 108.215 108.800 -0.022 0.000 2.462 12 G HA2 -0.251 3.709 3.960 0.001 0.000 0.220 12 G HA3 -0.251 3.709 3.960 0.001 0.000 0.220 12 G C 1.209 176.083 174.900 -0.043 0.000 1.121 12 G CA 0.530 45.597 45.100 -0.054 0.000 0.758 12 G HN 0.436 nan 8.290 nan 0.000 0.559 13 E N -0.362 119.828 120.200 -0.016 0.000 2.322 13 E HA 0.164 4.515 4.350 0.001 0.000 0.195 13 E C 1.181 177.794 176.600 0.021 0.000 1.198 13 E CA 0.112 56.518 56.400 0.010 0.000 1.132 13 E CB 0.044 29.768 29.700 0.039 0.000 1.213 13 E HN 0.465 nan 8.360 nan 0.000 0.450 14 K N -1.617 118.778 120.400 -0.008 0.000 2.195 14 K HA 0.024 4.344 4.320 0.001 0.000 0.153 14 K C 0.091 176.581 176.600 -0.184 0.000 1.989 14 K CA 0.086 56.331 56.287 -0.068 0.000 1.067 14 K CB 0.483 32.957 32.500 -0.043 0.000 1.964 14 K HN -0.000 nan 8.250 nan 0.000 0.482 15 Y N -0.090 119.999 120.300 -0.352 0.000 2.476 15 Y HA 0.389 4.940 4.550 0.001 0.000 0.261 15 Y C 0.338 176.108 175.900 -0.217 0.000 1.077 15 Y CA 0.289 58.177 58.100 -0.353 0.000 1.240 15 Y CB 2.159 40.231 38.460 -0.646 0.000 1.317 15 Y HN 0.146 nan 8.280 nan 0.000 0.540 16 G N 1.093 109.872 108.800 -0.036 0.000 2.777 16 G HA2 -0.247 3.714 3.960 0.001 0.000 0.686 16 G HA3 -0.247 3.714 3.960 0.001 0.000 0.686 16 G C 0.139 175.031 174.900 -0.014 0.000 1.177 16 G CA -0.027 45.054 45.100 -0.031 0.000 0.775 16 G HN 0.111 nan 8.290 nan 0.000 0.613 17 Q N 0.427 120.213 119.800 -0.025 0.000 2.197 17 Q HA -0.131 4.209 4.340 0.001 0.000 0.207 17 Q C 2.260 178.252 176.000 -0.014 0.000 0.984 17 Q CA 2.866 58.652 55.803 -0.028 0.000 0.869 17 Q CB -0.177 28.540 28.738 -0.035 0.000 0.906 17 Q HN 0.809 nan 8.270 nan 0.000 0.426 18 E N -0.538 119.659 120.200 -0.005 0.000 2.204 18 E HA -0.205 4.146 4.350 0.001 0.000 0.195 18 E C 1.499 178.114 176.600 0.025 0.000 0.990 18 E CA 1.377 57.779 56.400 0.004 0.000 0.821 18 E CB -0.011 29.691 29.700 0.003 0.000 0.750 18 E HN 0.436 nan 8.360 nan 0.000 0.477 19 E N -0.665 119.565 120.200 0.050 0.000 2.057 19 E HA -0.046 4.304 4.350 0.001 0.000 0.190 19 E C 1.790 178.468 176.600 0.130 0.000 0.969 19 E CA 0.555 57.020 56.400 0.108 0.000 0.812 19 E CB -0.401 29.393 29.700 0.157 0.000 0.777 19 E HN 0.249 nan 8.360 nan 0.000 0.455 20 L N 1.533 122.839 121.223 0.137 0.000 2.089 20 L HA -0.203 4.138 4.340 0.001 0.000 0.213 20 L C 1.708 178.511 176.870 -0.111 0.000 1.079 20 L CA 2.062 56.922 54.840 0.033 0.000 0.758 20 L CB -0.457 41.570 42.059 -0.053 0.000 0.891 20 L HN 0.226 nan 8.230 nan 0.000 0.433 21 E N -1.079 119.089 120.200 -0.053 0.000 2.274 21 E HA -0.189 4.162 4.350 0.001 0.000 0.194 21 E C 1.947 178.530 176.600 -0.028 0.000 0.996 21 E CA 0.628 56.999 56.400 -0.048 0.000 0.840 21 E CB 0.011 29.691 29.700 -0.033 0.000 0.772 21 E HN 0.468 nan 8.360 nan 0.000 0.491 22 K N 0.468 120.867 120.400 -0.001 0.000 2.262 22 K HA 0.015 4.336 4.320 0.001 0.000 0.200 22 K C 1.618 178.230 176.600 0.020 0.000 1.049 22 K CA 0.195 56.493 56.287 0.017 0.000 0.979 22 K CB 0.408 32.932 32.500 0.040 0.000 0.773 22 K HN -0.113 nan 8.250 nan 0.000 0.474 23 R N 0.799 121.296 120.500 -0.006 0.000 2.299 23 R HA 0.072 4.413 4.340 0.001 0.000 0.197 23 R C 1.796 178.075 176.300 -0.034 0.000 0.971 23 R CA 0.153 56.231 56.100 -0.037 0.000 1.030 23 R CB -0.041 30.178 30.300 -0.134 0.000 0.932 23 R HN 0.221 nan 8.270 nan 0.000 0.477 24 I N 0.797 121.350 120.570 -0.029 0.000 2.185 24 I HA -0.172 3.998 4.170 0.001 0.000 0.235 24 I C 2.289 178.480 176.117 0.123 0.000 1.069 24 I CA 1.019 62.367 61.300 0.080 0.000 1.354 24 I CB -1.074 36.926 38.000 -0.001 0.000 1.093 24 I HN 0.058 nan 8.210 nan 0.000 0.411 25 K N 0.635 121.043 120.400 0.014 0.000 2.228 25 K HA -0.268 4.052 4.320 0.001 0.000 0.205 25 K C 1.598 178.251 176.600 0.089 0.000 1.045 25 K CA 1.895 58.195 56.287 0.021 0.000 0.931 25 K CB -0.027 32.470 32.500 -0.005 0.000 0.727 25 K HN 0.206 nan 8.250 nan 0.000 0.458 26 D N 0.564 121.018 120.400 0.089 0.000 2.097 26 D HA -0.123 4.517 4.640 0.001 0.000 0.197 26 D C 1.657 178.024 176.300 0.112 0.000 0.984 26 D CA 1.028 55.086 54.000 0.097 0.000 0.826 26 D CB 0.055 40.908 40.800 0.089 0.000 0.973 26 D HN 0.187 nan 8.370 nan 0.000 0.460 27 E N -0.274 119.987 120.200 0.102 0.000 2.347 27 E HA -0.073 4.278 4.350 0.001 0.000 0.196 27 E C 1.189 177.720 176.600 -0.115 0.000 1.008 27 E CA 0.516 56.890 56.400 -0.044 0.000 0.852 27 E CB -0.155 29.361 29.700 -0.307 0.000 0.783 27 E HN 0.598 nan 8.360 nan 0.000 0.505 28 H N 0.298 119.323 119.070 -0.074 0.000 2.526 28 H HA 0.092 4.649 4.556 0.001 0.000 0.274 28 H C 0.263 175.581 175.328 -0.016 0.000 0.999 28 H CA 0.458 56.462 56.048 -0.074 0.000 1.157 28 H CB 0.508 30.227 29.762 -0.071 0.000 1.407 28 H HN 0.035 nan 8.280 nan 0.000 0.568 29 T N -0.453 114.166 114.554 0.108 0.000 2.863 29 T HA 0.338 4.688 4.350 0.001 0.000 0.285 29 T C -2.884 171.856 174.700 0.067 0.000 1.009 29 T CA -2.246 59.897 62.100 0.072 0.000 0.989 29 T CB 2.760 71.665 68.868 0.061 0.000 1.004 29 T HN -0.079 nan 8.240 nan 0.000 0.455 30 P HA 0.316 nan 4.420 nan 0.000 0.276 30 P C -2.187 175.076 177.300 -0.062 0.000 1.253 30 P CA -1.020 62.039 63.100 -0.069 0.000 0.766 30 P CB -0.290 31.357 31.700 -0.088 0.000 0.845 31 P HA 0.215 nan 4.420 nan 0.000 0.271 31 P C -2.447 174.822 177.300 -0.052 0.000 1.238 31 P CA -1.041 62.033 63.100 -0.044 0.000 0.794 31 P CB -1.132 30.545 31.700 -0.037 0.000 0.959 32 P HA 0.190 nan 4.420 nan 0.000 0.276 32 P C -0.079 177.217 177.300 -0.008 0.000 1.235 32 P CA 0.018 63.116 63.100 -0.004 0.000 0.772 32 P CB 0.404 32.114 31.700 0.016 0.000 0.871 33 D N 0.747 121.142 120.400 -0.008 0.000 2.274 33 D HA 0.156 4.797 4.640 0.001 0.000 0.256 33 D C -0.055 176.256 176.300 0.019 0.000 1.274 33 D CA 0.298 54.297 54.000 -0.001 0.000 0.998 33 D CB 0.159 40.959 40.800 -0.000 0.000 1.139 33 D HN 0.198 nan 8.370 nan 0.000 0.540 34 S N 0.252 115.969 115.700 0.028 0.000 2.592 34 S HA 0.163 4.633 4.470 0.001 0.000 0.151 34 S C -2.273 172.355 174.600 0.047 0.000 1.280 34 S CA -0.691 57.542 58.200 0.055 0.000 1.187 34 S CB 1.609 64.852 63.200 0.073 0.000 1.471 34 S HN 0.257 nan 8.310 nan 0.000 0.409 35 P HA 0.020 nan 4.420 nan 0.000 0.244 35 P C 0.852 178.140 177.300 -0.019 0.000 1.211 35 P CA 0.552 63.655 63.100 0.005 0.000 0.760 35 P CB -0.028 31.673 31.700 0.002 0.000 0.961 36 V N -5.817 114.097 119.914 0.000 0.000 3.261 36 V HA 0.250 4.371 4.120 0.001 0.000 0.212 36 V C 1.463 177.400 176.094 -0.261 0.000 1.381 36 V CA 0.133 62.347 62.300 -0.143 0.000 1.322 36 V CB -0.941 30.776 31.823 -0.177 0.000 1.188 36 V HN -0.185 nan 8.190 nan 0.000 0.520 37 F N 2.646 122.555 119.950 -0.068 0.000 2.660 37 F HA 0.614 5.142 4.527 0.001 0.000 0.302 37 F C 2.052 177.822 175.800 -0.049 0.000 1.103 37 F CA 0.661 58.614 58.000 -0.078 0.000 1.340 37 F CB 0.133 39.068 39.000 -0.109 0.000 1.048 37 F HN 0.228 nan 8.300 nan 0.000 0.551 38 G N 0.162 109.012 108.800 0.083 0.000 2.404 38 G HA2 -0.081 3.880 3.960 0.001 0.000 0.213 38 G HA3 -0.081 3.880 3.960 0.001 0.000 0.213 38 G C 2.049 176.967 174.900 0.029 0.000 1.189 38 G CA 0.678 45.811 45.100 0.055 0.000 0.796 38 G HN 0.422 nan 8.290 nan 0.000 0.532 39 G N 0.981 109.779 108.800 -0.003 0.000 2.503 39 G HA2 -0.202 3.759 3.960 0.001 0.000 0.221 39 G HA3 -0.202 3.759 3.960 0.001 0.000 0.221 39 G C 1.725 176.627 174.900 0.003 0.000 1.131 39 G CA 1.060 46.154 45.100 -0.009 0.000 0.756 39 G HN 0.398 nan 8.290 nan 0.000 0.572 40 L N -0.496 120.728 121.223 0.002 0.000 2.071 40 L HA 0.071 4.412 4.340 0.001 0.000 0.201 40 L C 2.795 179.697 176.870 0.052 0.000 1.076 40 L CA 1.047 55.899 54.840 0.019 0.000 0.755 40 L CB -0.853 41.207 42.059 0.001 0.000 0.915 40 L HN 0.132 nan 8.230 nan 0.000 0.445 41 K N 0.400 120.842 120.400 0.070 0.000 2.071 41 K HA -0.292 4.029 4.320 0.001 0.000 0.217 41 K C 2.073 178.718 176.600 0.075 0.000 1.054 41 K CA 1.973 58.307 56.287 0.078 0.000 0.937 41 K CB -0.539 32.009 32.500 0.080 0.000 0.719 41 K HN 0.049 nan 8.250 nan 0.000 0.454 42 L N 1.778 123.039 121.223 0.062 0.000 1.963 42 L HA -0.306 4.035 4.340 0.001 0.000 0.220 42 L C 2.309 179.216 176.870 0.062 0.000 1.076 42 L CA 2.027 56.901 54.840 0.056 0.000 0.772 42 L CB -0.491 41.590 42.059 0.037 0.000 0.892 42 L HN 0.113 nan 8.230 nan 0.000 0.435 43 K N -1.023 119.409 120.400 0.054 0.000 2.044 43 K HA -0.243 4.078 4.320 0.001 0.000 0.210 43 K C 2.104 178.747 176.600 0.070 0.000 1.049 43 K CA 2.276 58.597 56.287 0.056 0.000 0.927 43 K CB -0.399 32.130 32.500 0.049 0.000 0.713 43 K HN 0.499 nan 8.250 nan 0.000 0.443 44 L N -0.245 121.025 121.223 0.077 0.000 2.141 44 L HA -0.046 4.294 4.340 0.001 0.000 0.209 44 L C 1.774 178.700 176.870 0.093 0.000 1.094 44 L CA 1.499 56.388 54.840 0.080 0.000 0.763 44 L CB -0.488 41.622 42.059 0.085 0.000 0.908 44 L HN -0.105 nan 8.230 nan 0.000 0.437 45 K N 1.182 121.661 120.400 0.132 0.000 2.025 45 K HA -0.068 4.252 4.320 0.001 0.000 0.207 45 K C 2.030 178.825 176.600 0.325 0.000 1.049 45 K CA 1.417 57.855 56.287 0.253 0.000 0.933 45 K CB -0.459 32.211 32.500 0.282 0.000 0.714 45 K HN 0.446 nan 8.250 nan 0.000 0.438 46 K N 0.950 121.453 120.400 0.171 0.000 2.107 46 K HA -0.212 4.108 4.320 0.001 0.000 0.211 46 K C 1.888 178.564 176.600 0.126 0.000 1.049 46 K CA 1.396 57.758 56.287 0.126 0.000 0.927 46 K CB -0.008 32.532 32.500 0.066 0.000 0.714 46 K HN 0.197 nan 8.250 nan 0.000 0.452 47 E N 0.858 121.107 120.200 0.081 0.000 2.015 47 E HA -0.164 4.187 4.350 0.001 0.000 0.191 47 E C 1.941 178.531 176.600 -0.016 0.000 0.991 47 E CA 0.658 57.057 56.400 -0.001 0.000 0.802 47 E CB -0.275 29.423 29.700 -0.003 0.000 0.759 47 E HN 0.193 nan 8.360 nan 0.000 0.447 48 K N 0.450 120.838 120.400 -0.020 0.000 2.097 48 K HA -0.218 4.103 4.320 0.001 0.000 0.214 48 K C 2.105 178.507 176.600 -0.331 0.000 1.052 48 K CA 1.644 57.800 56.287 -0.218 0.000 0.932 48 K CB -0.319 31.967 32.500 -0.356 0.000 0.716 48 K HN 0.054 nan 8.250 nan 0.000 0.455 49 F N 0.659 120.545 119.950 -0.107 0.000 2.219 49 F HA 0.026 4.554 4.527 0.001 0.000 0.294 49 F C 2.509 178.287 175.800 -0.037 0.000 1.086 49 F CA 0.807 58.745 58.000 -0.104 0.000 1.330 49 F CB -0.347 38.675 39.000 0.037 0.000 1.047 49 F HN -0.043 nan 8.300 nan 0.000 0.495 50 K N 0.205 120.680 120.400 0.125 0.000 2.032 50 K HA -0.215 4.106 4.320 0.001 0.000 0.218 50 K C 1.976 178.454 176.600 -0.203 0.000 1.054 50 K CA 2.487 58.701 56.287 -0.123 0.000 0.941 50 K CB -0.717 31.554 32.500 -0.382 0.000 0.720 50 K HN 0.213 nan 8.250 nan 0.000 0.449 51 T N 2.201 116.625 114.554 -0.217 0.000 2.684 51 T HA -0.155 4.196 4.350 0.001 0.000 0.267 51 T C 1.599 176.201 174.700 -0.164 0.000 1.036 51 T CA 1.215 63.201 62.100 -0.191 0.000 1.148 51 T CB -0.223 68.539 68.868 -0.177 0.000 0.863 51 T HN 0.174 nan 8.240 nan 0.000 0.436 52 L N 0.068 121.158 121.223 -0.223 0.000 2.056 52 L HA 0.035 4.376 4.340 0.001 0.000 0.207 52 L C 2.001 178.702 176.870 -0.282 0.000 1.078 52 L CA 1.918 56.561 54.840 -0.330 0.000 0.749 52 L CB -0.863 40.870 42.059 -0.543 0.000 0.901 52 L HN 0.280 nan 8.230 nan 0.000 0.433 53 F N 0.120 120.036 119.950 -0.057 0.000 2.558 53 F HA -0.094 4.433 4.527 0.001 0.000 0.298 53 F C 2.384 178.162 175.800 -0.037 0.000 1.119 53 F CA 0.819 58.797 58.000 -0.037 0.000 1.451 53 F CB -0.145 38.865 39.000 0.017 0.000 1.091 53 F HN 0.094 nan 8.300 nan 0.000 0.563 54 T N 0.938 115.571 114.554 0.132 0.000 2.569 54 T HA -0.254 4.097 4.350 0.001 0.000 0.263 54 T C 1.955 176.640 174.700 -0.025 0.000 1.074 54 T CA 1.480 63.640 62.100 0.100 0.000 1.176 54 T CB -0.665 68.279 68.868 0.127 0.000 0.863 54 T HN 0.116 nan 8.240 nan 0.000 0.410 55 L N 1.512 122.695 121.223 -0.066 0.000 2.081 55 L HA -0.036 4.305 4.340 0.001 0.000 0.212 55 L C 2.521 179.332 176.870 -0.099 0.000 1.080 55 L CA 2.125 56.901 54.840 -0.108 0.000 0.754 55 L CB -1.190 40.794 42.059 -0.125 0.000 0.893 55 L HN 0.367 nan 8.230 nan 0.000 0.433 56 G N -2.798 105.967 108.800 -0.059 0.000 2.470 56 G HA2 -0.254 3.707 3.960 0.001 0.000 0.220 56 G HA3 -0.254 3.707 3.960 0.001 0.000 0.220 56 G C 1.528 176.418 174.900 -0.017 0.000 1.121 56 G CA 1.136 46.227 45.100 -0.015 0.000 0.766 56 G HN 0.430 nan 8.290 nan 0.000 0.553 57 T N -1.051 113.470 114.554 -0.055 0.000 3.001 57 T HA 0.116 4.467 4.350 0.001 0.000 0.251 57 T C 2.465 176.993 174.700 -0.286 0.000 1.040 57 T CA 1.067 63.087 62.100 -0.133 0.000 0.985 57 T CB -0.005 68.793 68.868 -0.117 0.000 1.011 57 T HN 0.198 nan 8.240 nan 0.000 0.509 58 T N 2.089 116.469 114.554 -0.290 0.000 2.732 58 T HA 0.133 4.484 4.350 0.001 0.000 0.261 58 T C 1.785 176.371 174.700 -0.190 0.000 1.040 58 T CA 0.850 62.740 62.100 -0.349 0.000 1.145 58 T CB -0.254 68.463 68.868 -0.252 0.000 0.866 58 T HN 0.260 nan 8.240 nan 0.000 0.427 59 L N 0.556 121.704 121.223 -0.126 0.000 2.265 59 L HA -0.021 4.320 4.340 0.001 0.000 0.215 59 L C 2.425 179.262 176.870 -0.055 0.000 1.117 59 L CA 0.822 55.617 54.840 -0.075 0.000 0.782 59 L CB -0.329 41.689 42.059 -0.068 0.000 0.914 59 L HN 0.022 nan 8.230 nan 0.000 0.441 60 K N 0.458 120.816 120.400 -0.071 0.000 2.486 60 K HA 0.097 4.418 4.320 0.001 0.000 0.194 60 K C 1.073 177.666 176.600 -0.012 0.000 1.033 60 K CA 0.731 56.993 56.287 -0.042 0.000 1.004 60 K CB -0.121 32.350 32.500 -0.048 0.000 0.798 60 K HN 0.337 nan 8.250 nan 0.000 0.495 61 G N 0.969 109.760 108.800 -0.015 0.000 2.291 61 G HA2 -0.263 3.698 3.960 0.001 0.000 0.271 61 G HA3 -0.263 3.698 3.960 0.001 0.000 0.271 61 G C 0.191 175.217 174.900 0.210 0.000 1.099 61 G CA -0.029 45.128 45.100 0.095 0.000 0.919 61 G HN 0.232 nan 8.290 nan 0.000 0.496 62 F N -2.590 117.353 119.950 -0.012 0.000 2.935 62 F HA -0.262 4.265 4.527 0.001 0.000 0.317 62 F C 1.739 177.525 175.800 -0.023 0.000 0.699 62 F CA 1.789 59.777 58.000 -0.020 0.000 1.127 62 F CB -0.991 37.994 39.000 -0.026 0.000 1.491 62 F HN 0.598 nan 8.300 nan 0.000 0.337 63 R N 1.408 121.963 120.500 0.091 0.000 2.637 63 R HA 0.381 4.721 4.340 0.001 0.000 0.269 63 R C 0.493 176.793 176.300 0.001 0.000 1.089 63 R CA -0.803 55.324 56.100 0.045 0.000 1.177 63 R CB 0.380 30.700 30.300 0.032 0.000 1.091 63 R HN 0.168 nan 8.270 nan 0.000 0.540 64 R N 1.159 121.655 120.500 -0.007 0.000 2.485 64 R HA -0.037 4.303 4.340 0.001 0.000 0.304 64 R C 0.677 176.951 176.300 -0.045 0.000 0.934 64 R CA 0.433 56.510 56.100 -0.037 0.000 1.102 64 R CB -0.142 30.140 30.300 -0.028 0.000 0.906 64 R HN 0.738 nan 8.270 nan 0.000 0.407 65 A N 4.121 126.896 122.820 -0.075 0.000 1.848 65 A HA -0.180 4.141 4.320 0.001 0.000 0.217 65 A C 1.247 178.804 177.584 -0.046 0.000 1.220 65 A CA 1.945 53.948 52.037 -0.057 0.000 0.645 65 A CB -0.812 18.151 19.000 -0.063 0.000 0.842 65 A HN 0.927 nan 8.150 nan 0.000 0.451 66 T N -4.369 110.148 114.554 -0.060 0.000 2.922 66 T HA 0.460 4.811 4.350 0.001 0.000 0.285 66 T C -0.044 174.733 174.700 0.128 0.000 1.005 66 T CA 0.385 62.480 62.100 -0.009 0.000 1.061 66 T CB 0.418 69.307 68.868 0.035 0.000 1.007 66 T HN 0.767 nan 8.240 nan 0.000 0.502 67 H N -0.066 118.972 119.070 -0.053 0.000 2.750 67 H HA -0.146 4.410 4.556 0.001 0.000 0.327 67 H C 1.147 176.451 175.328 -0.040 0.000 1.199 67 H CA 0.648 56.675 56.048 -0.035 0.000 1.149 67 H CB -2.684 27.051 29.762 -0.045 0.000 1.543 67 H HN 0.803 nan 8.280 nan 0.000 0.427 68 T N -0.796 113.776 114.554 0.030 0.000 2.520 68 T HA -0.059 4.292 4.350 0.001 0.000 0.258 68 T C 1.386 176.105 174.700 0.032 0.000 1.125 68 T CA 1.557 63.668 62.100 0.018 0.000 1.206 68 T CB -0.104 68.762 68.868 -0.003 0.000 0.864 68 T HN 0.440 nan 8.240 nan 0.000 0.400 69 V N 0.057 119.994 119.914 0.038 0.000 2.546 69 V HA 0.836 4.956 4.120 0.001 0.000 0.284 69 V C 0.264 176.389 176.094 0.050 0.000 1.050 69 V CA -0.434 61.892 62.300 0.043 0.000 0.981 69 V CB 0.805 32.658 31.823 0.049 0.000 0.990 69 V HN 0.624 nan 8.190 nan 0.000 0.474 70 G N 1.906 110.722 108.800 0.026 0.000 2.682 70 G HA2 0.672 4.633 3.960 0.001 0.000 0.303 70 G HA3 0.672 4.633 3.960 0.001 0.000 0.303 70 G C -0.925 173.951 174.900 -0.040 0.000 1.341 70 G CA 0.125 45.212 45.100 -0.022 0.000 0.784 70 G HN 1.025 nan 8.290 nan 0.000 0.497 71 T N -2.467 112.002 114.554 -0.142 0.000 2.645 71 T HA 0.895 5.246 4.350 0.001 0.000 0.273 71 T C -0.041 174.565 174.700 -0.155 0.000 0.960 71 T CA 0.654 62.709 62.100 -0.076 0.000 1.051 71 T CB 1.441 70.322 68.868 0.023 0.000 1.366 71 T HN 2.379 nan 8.240 nan 0.000 0.536 72 G N -1.298 107.487 108.800 -0.025 0.000 2.352 72 G HA2 0.490 4.450 3.960 0.001 0.000 0.302 72 G HA3 0.490 4.450 3.960 0.001 0.000 0.302 72 G C -0.607 174.352 174.900 0.097 0.000 1.370 72 G CA 0.069 45.135 45.100 -0.057 0.000 0.918 72 G HN 1.219 nan 8.290 nan 0.000 0.610 73 G N -1.443 107.391 108.800 0.057 0.000 2.721 73 G HA2 0.730 4.691 3.960 0.001 0.000 0.296 73 G HA3 0.730 4.691 3.960 0.001 0.000 0.296 73 G C -1.174 173.731 174.900 0.008 0.000 1.383 73 G CA -0.776 44.359 45.100 0.059 0.000 0.788 73 G HN 0.848 nan 8.290 nan 0.000 0.500 74 I N 0.208 120.785 120.570 0.011 0.000 2.460 74 I HA 0.753 4.924 4.170 0.001 0.000 0.298 74 I C 0.767 176.892 176.117 0.014 0.000 0.989 74 I CA -0.314 60.986 61.300 0.001 0.000 1.173 74 I CB 1.942 39.942 38.000 0.000 0.000 1.338 74 I HN 0.854 nan 8.210 nan 0.000 0.456 75 G N 3.900 112.709 108.800 0.014 0.000 2.490 75 G HA2 0.445 4.405 3.960 0.001 0.000 0.308 75 G HA3 0.445 4.405 3.960 0.001 0.000 0.308 75 G C -1.854 173.073 174.900 0.044 0.000 1.286 75 G CA -0.559 44.561 45.100 0.033 0.000 0.825 75 G HN 0.518 nan 8.290 nan 0.000 0.479 76 E N -0.806 119.434 120.200 0.066 0.000 2.256 76 E HA 0.585 4.935 4.350 0.001 0.000 0.267 76 E C -0.920 175.757 176.600 0.129 0.000 0.892 76 E CA -0.657 55.802 56.400 0.098 0.000 0.775 76 E CB 2.797 32.550 29.700 0.087 0.000 1.207 76 E HN 0.339 nan 8.360 nan 0.000 0.420 77 I N 1.743 122.435 120.570 0.203 0.000 2.355 77 I HA 0.237 4.408 4.170 0.001 0.000 0.288 77 I C -0.396 175.925 176.117 0.339 0.000 0.999 77 I CA -0.415 61.047 61.300 0.271 0.000 1.163 77 I CB 1.751 39.936 38.000 0.309 0.000 1.316 77 I HN 0.288 nan 8.210 nan 0.000 0.454 78 T N 6.709 121.415 114.554 0.253 0.000 2.758 78 T HA 0.447 4.798 4.350 0.001 0.000 0.285 78 T C 0.347 175.201 174.700 0.257 0.000 0.981 78 T CA -0.457 61.765 62.100 0.204 0.000 0.965 78 T CB 0.770 69.716 68.868 0.128 0.000 0.927 78 T HN 0.197 nan 8.240 nan 0.000 0.448 79 I N 3.449 124.183 120.570 0.273 0.000 2.710 79 I HA 0.042 4.213 4.170 0.001 0.000 0.286 79 I C 1.240 177.498 176.117 0.236 0.000 1.181 79 I CA -0.124 61.370 61.300 0.324 0.000 1.430 79 I CB 0.116 38.319 38.000 0.338 0.000 1.367 79 I HN 0.320 nan 8.210 nan 0.000 0.577 80 V N 7.547 127.617 119.914 0.260 0.000 3.061 80 V HA -0.113 4.008 4.120 0.001 0.000 0.306 80 V C 1.584 177.758 176.094 0.133 0.000 1.118 80 V CA 0.215 62.630 62.300 0.191 0.000 1.231 80 V CB 0.433 32.384 31.823 0.214 0.000 0.956 80 V HN 0.817 nan 8.190 nan 0.000 0.499 81 N N 3.413 122.171 118.700 0.097 0.000 1.997 81 N HA -0.121 4.620 4.740 0.001 0.000 0.198 81 N C 0.447 175.985 175.510 0.047 0.000 1.070 81 N CA 1.948 55.036 53.050 0.064 0.000 0.864 81 N CB -0.358 38.161 38.487 0.052 0.000 1.066 81 N HN 0.866 nan 8.380 nan 0.000 0.425 82 D N 1.972 122.397 120.400 0.042 0.000 2.412 82 D HA 0.279 4.920 4.640 0.001 0.000 0.224 82 D C -2.442 173.859 176.300 0.003 0.000 1.093 82 D CA -1.622 52.388 54.000 0.016 0.000 0.850 82 D CB 1.086 41.898 40.800 0.020 0.000 1.046 82 D HN 0.133 nan 8.370 nan 0.000 0.507 83 P HA 0.256 nan 4.420 nan 0.000 0.281 83 P C -0.169 176.993 177.300 -0.231 0.000 1.249 83 P CA -0.508 62.442 63.100 -0.250 0.000 0.810 83 P CB 1.728 33.056 31.700 -0.620 0.000 1.008 84 K N 0.649 120.977 120.400 -0.120 0.000 2.425 84 K HA 0.151 4.472 4.320 0.001 0.000 0.201 84 K C 0.811 177.409 176.600 -0.005 0.000 1.128 84 K CA 0.126 56.490 56.287 0.127 0.000 1.000 84 K CB -0.011 32.742 32.500 0.420 0.000 0.961 84 K HN 0.522 nan 8.250 nan 0.000 0.555 85 F N 2.633 122.408 119.950 -0.292 0.000 2.450 85 F HA 0.369 4.896 4.527 0.001 0.000 0.339 85 F C -2.185 173.487 175.800 -0.215 0.000 1.146 85 F CA -2.996 54.523 58.000 -0.803 0.000 1.267 85 F CB -1.154 37.324 39.000 -0.870 0.000 1.178 85 F HN -0.231 nan 8.300 nan 0.000 0.585 86 P HA -0.038 nan 4.420 nan 0.000 0.261 86 P C -0.547 176.950 177.300 0.327 0.000 1.173 86 P CA 0.176 63.388 63.100 0.186 0.000 0.760 86 P CB 0.293 32.139 31.700 0.243 0.000 0.783 87 E N 1.682 121.986 120.200 0.174 0.000 2.653 87 E HA -0.135 4.216 4.350 0.001 0.000 0.264 87 E C -0.088 176.693 176.600 0.302 0.000 0.949 87 E CA 1.002 57.515 56.400 0.190 0.000 0.953 87 E CB 0.083 29.836 29.700 0.089 0.000 0.925 87 E HN 0.477 nan 8.360 nan 0.000 0.475 88 H N 0.889 120.107 119.070 0.246 0.000 2.690 88 H HA 0.124 4.681 4.556 0.001 0.000 0.368 88 H C -0.308 175.112 175.328 0.152 0.000 1.150 88 H CA -0.749 55.424 56.048 0.209 0.000 1.174 88 H CB 1.143 31.175 29.762 0.449 0.000 1.684 88 H HN 0.529 nan 8.280 nan 0.000 0.538 89 E N 3.699 123.709 120.200 -0.317 0.000 2.304 89 E HA 0.121 4.472 4.350 0.001 0.000 0.212 89 E C -0.496 176.114 176.600 0.018 0.000 1.185 89 E CA 0.058 56.380 56.400 -0.129 0.000 1.326 89 E CB 0.124 29.733 29.700 -0.152 0.000 1.283 89 E HN 0.504 nan 8.360 nan 0.000 0.440 90 F N -0.422 119.530 119.950 0.005 0.000 1.746 90 F HA 0.263 4.791 4.527 0.001 0.000 0.248 90 F C -0.456 175.386 175.800 0.069 0.000 1.206 90 F CA -0.528 57.471 58.000 -0.002 0.000 1.313 90 F CB 0.581 39.491 39.000 -0.151 0.000 1.848 90 F HN -0.071 nan 8.300 nan 0.000 0.333 91 F N 3.381 123.726 119.950 0.659 0.000 2.677 91 F HA 0.240 4.768 4.527 0.001 0.000 0.358 91 F C 0.169 176.211 175.800 0.402 0.000 1.266 91 F CA 0.257 58.532 58.000 0.459 0.000 1.262 91 F CB -0.524 38.750 39.000 0.457 0.000 1.684 91 F HN -0.180 nan 8.300 nan 0.000 0.671 92 T N 1.111 115.847 114.554 0.303 0.000 2.907 92 T HA 0.481 4.832 4.350 0.001 0.000 0.284 92 T C 0.350 175.130 174.700 0.133 0.000 1.004 92 T CA -0.785 61.427 62.100 0.186 0.000 1.063 92 T CB 1.525 70.427 68.868 0.057 0.000 0.992 92 T HN 0.466 nan 8.240 nan 0.000 0.483 93 A N 1.801 124.677 122.820 0.093 0.000 2.415 93 A HA 0.314 4.634 4.320 0.001 0.000 0.298 93 A C 1.650 179.257 177.584 0.038 0.000 1.070 93 A CA 0.638 52.708 52.037 0.055 0.000 1.116 93 A CB -1.639 17.374 19.000 0.022 0.000 0.849 93 A HN 1.853 nan 8.150 nan 0.000 0.478 94 G N 1.793 110.633 108.800 0.067 0.000 2.179 94 G HA2 -0.288 3.672 3.960 0.001 0.000 0.257 94 G HA3 -0.288 3.672 3.960 0.001 0.000 0.257 94 G C 0.483 175.362 174.900 -0.035 0.000 1.010 94 G CA 0.390 45.513 45.100 0.038 0.000 0.736 94 G HN 0.967 nan 8.290 nan 0.000 0.513 95 R N 1.574 122.025 120.500 -0.082 0.000 2.853 95 R HA 0.210 4.551 4.340 0.001 0.000 0.238 95 R C 1.159 177.141 176.300 -0.529 0.000 1.538 95 R CA 0.805 56.716 56.100 -0.315 0.000 1.166 95 R CB -0.735 29.336 30.300 -0.381 0.000 1.201 95 R HN 0.524 nan 8.270 nan 0.000 0.606 96 T N 0.927 115.281 114.554 -0.334 0.000 2.926 96 T HA 0.243 4.593 4.350 0.001 0.000 0.307 96 T C -0.062 174.392 174.700 -0.411 0.000 1.059 96 T CA -0.025 61.945 62.100 -0.215 0.000 1.122 96 T CB 0.346 69.185 68.868 -0.049 0.000 0.972 96 T HN 0.259 nan 8.240 nan 0.000 0.545 97 F N 3.373 123.378 119.950 0.093 0.000 2.579 97 F HA 0.618 5.145 4.527 0.001 0.000 0.324 97 F C -2.067 173.789 175.800 0.093 0.000 1.058 97 F CA -2.574 55.489 58.000 0.105 0.000 0.944 97 F CB 2.050 41.194 39.000 0.240 0.000 1.245 97 F HN 0.445 nan 8.300 nan 0.000 0.477 98 P HA 0.600 nan 4.420 nan 0.000 0.281 98 P C -1.585 175.795 177.300 0.133 0.000 1.264 98 P CA -0.470 62.722 63.100 0.153 0.000 0.824 98 P CB 1.727 33.486 31.700 0.099 0.000 1.092 99 A N 1.147 124.000 122.820 0.055 0.000 2.604 99 A HA 0.663 4.983 4.320 0.001 0.000 0.295 99 A C -0.946 176.615 177.584 -0.040 0.000 1.067 99 A CA -0.780 51.250 52.037 -0.010 0.000 0.683 99 A CB 1.463 20.430 19.000 -0.056 0.000 1.281 99 A HN 0.446 nan 8.150 nan 0.000 0.407 100 R N 0.215 120.678 120.500 -0.063 0.000 2.589 100 R HA 0.739 5.079 4.340 0.001 0.000 0.293 100 R C -1.304 174.967 176.300 -0.048 0.000 0.963 100 R CA -0.622 55.448 56.100 -0.050 0.000 0.905 100 R CB 2.135 32.388 30.300 -0.080 0.000 1.144 100 R HN 0.685 nan 8.270 nan 0.000 0.459 101 L N 1.424 122.568 121.223 -0.131 0.000 2.354 101 L HA 0.622 4.962 4.340 0.001 0.000 0.264 101 L C -1.133 175.486 176.870 -0.419 0.000 1.008 101 L CA -0.801 53.781 54.840 -0.431 0.000 0.819 101 L CB 2.081 43.773 42.059 -0.611 0.000 1.339 101 L HN 0.597 nan 8.230 nan 0.000 0.420 102 R N 2.091 122.131 120.500 -0.767 0.000 2.510 102 R HA 0.423 4.764 4.340 0.001 0.000 0.294 102 R C -1.586 174.197 176.300 -0.862 0.000 1.056 102 R CA -0.537 55.177 56.100 -0.643 0.000 0.918 102 R CB 0.950 31.087 30.300 -0.272 0.000 1.187 102 R HN 0.782 nan 8.270 nan 0.000 0.437 103 H N 1.679 120.279 119.070 -0.783 0.000 2.481 103 H HA 0.765 5.322 4.556 0.001 0.000 0.339 103 H C -0.219 174.662 175.328 -0.744 0.000 1.131 103 H CA 0.230 55.674 56.048 -1.006 0.000 1.301 103 H CB 1.920 30.515 29.762 -1.945 0.000 1.476 103 H HN 0.774 nan 8.280 nan 0.000 0.529 104 A N 1.990 124.671 122.820 -0.231 0.000 2.581 104 A HA 0.429 4.750 4.320 0.001 0.000 0.290 104 A C -1.434 176.327 177.584 0.296 0.000 1.119 104 A CA -1.186 50.886 52.037 0.060 0.000 0.670 104 A CB 1.194 20.242 19.000 0.080 0.000 1.280 104 A HN 0.761 nan 8.150 nan 0.000 0.425 105 N N 0.529 119.352 118.700 0.205 0.000 2.400 105 N HA 0.484 5.224 4.740 0.001 0.000 0.288 105 N C 0.549 176.033 175.510 -0.043 0.000 1.024 105 N CA -0.775 52.349 53.050 0.124 0.000 0.894 105 N CB 1.536 40.083 38.487 0.100 0.000 1.173 105 N HN 0.574 nan 8.380 nan 0.000 0.487 106 L N 2.437 123.548 121.223 -0.188 0.000 1.899 106 L HA -0.005 4.335 4.340 0.001 0.000 0.223 106 L C 1.700 178.371 176.870 -0.332 0.000 1.088 106 L CA 1.973 56.494 54.840 -0.531 0.000 0.788 106 L CB -0.443 41.390 42.059 -0.377 0.000 0.889 106 L HN 0.662 nan 8.230 nan 0.000 0.431 107 K N -2.651 117.594 120.400 -0.260 0.000 2.211 107 K HA -0.016 4.304 4.320 0.001 0.000 0.201 107 K C -0.467 175.832 176.600 -0.502 0.000 1.052 107 K CA 0.303 56.346 56.287 -0.407 0.000 0.973 107 K CB 0.125 32.310 32.500 -0.525 0.000 0.766 107 K HN 0.282 nan 8.250 nan 0.000 0.466 108 Y N 0.332 120.571 120.300 -0.102 0.000 2.393 108 Y HA 0.279 4.830 4.550 0.001 0.000 0.341 108 Y C -2.251 173.630 175.900 -0.032 0.000 0.988 108 Y CA -2.905 55.159 58.100 -0.060 0.000 1.078 108 Y CB 1.696 40.119 38.460 -0.063 0.000 1.203 108 Y HN -0.014 nan 8.280 nan 0.000 0.453 109 P HA 0.170 nan 4.420 nan 0.000 0.209 109 P C -1.121 176.232 177.300 0.088 0.000 1.843 109 P CA 0.210 63.367 63.100 0.095 0.000 0.985 109 P CB 0.345 32.088 31.700 0.072 0.000 1.904 110 D N 0.834 121.280 120.400 0.078 0.000 2.688 110 D HA 0.057 4.697 4.640 0.001 0.000 0.210 110 D C -0.083 176.217 176.300 -0.000 0.000 1.333 110 D CA -0.201 53.826 54.000 0.044 0.000 0.920 110 D CB 1.301 42.131 40.800 0.050 0.000 1.554 110 D HN -0.203 nan 8.370 nan 0.000 0.579 111 D N 2.055 122.408 120.400 -0.078 0.000 2.348 111 D HA 0.030 4.671 4.640 0.001 0.000 0.216 111 D C 1.554 177.790 176.300 -0.106 0.000 0.970 111 D CA 0.649 54.486 54.000 -0.273 0.000 0.889 111 D CB 0.398 40.766 40.800 -0.720 0.000 0.912 111 D HN 0.466 nan 8.370 nan 0.000 0.524 112 A N 0.454 123.341 122.820 0.111 0.000 2.044 112 A HA 0.341 4.661 4.320 0.001 0.000 0.213 112 A C 1.524 179.188 177.584 0.133 0.000 1.169 112 A CA 0.660 52.851 52.037 0.258 0.000 0.724 112 A CB -0.164 18.973 19.000 0.227 0.000 0.840 112 A HN 0.203 nan 8.150 nan 0.000 0.463 113 G N -0.607 108.226 108.800 0.054 0.000 2.476 113 G HA2 0.512 4.473 3.960 0.001 0.000 0.269 113 G HA3 0.512 4.473 3.960 0.001 0.000 0.269 113 G C 0.308 175.225 174.900 0.028 0.000 1.195 113 G CA 0.073 45.177 45.100 0.006 0.000 0.843 113 G HN 0.730 nan 8.290 nan 0.000 0.545 114 A N 0.769 123.619 122.820 0.051 0.000 2.555 114 A HA 0.480 4.800 4.320 0.001 0.000 0.233 114 A C 0.290 177.901 177.584 0.046 0.000 1.060 114 A CA 0.599 52.690 52.037 0.089 0.000 0.759 114 A CB 0.274 19.382 19.000 0.180 0.000 0.995 114 A HN 0.790 nan 8.150 nan 0.000 0.506 115 D N -1.325 119.092 120.400 0.028 0.000 2.820 115 D HA 0.389 5.029 4.640 0.001 0.000 0.244 115 D C -0.615 175.694 176.300 0.014 0.000 1.106 115 D CA 0.492 54.488 54.000 -0.005 0.000 0.741 115 D CB 0.685 41.504 40.800 0.031 0.000 2.042 115 D HN 0.913 nan 8.370 nan 0.000 0.459 116 A N 2.964 125.788 122.820 0.006 0.000 2.440 116 A HA 0.639 4.960 4.320 0.001 0.000 0.251 116 A C 0.149 177.802 177.584 0.115 0.000 1.089 116 A CA -0.182 51.883 52.037 0.046 0.000 0.779 116 A CB 0.418 19.440 19.000 0.036 0.000 1.022 116 A HN 0.329 nan 8.150 nan 0.000 0.492 117 R N 1.568 122.178 120.500 0.185 0.000 2.532 117 R HA 0.543 4.884 4.340 0.001 0.000 0.295 117 R C 0.040 176.663 176.300 0.538 0.000 0.968 117 R CA -0.280 56.038 56.100 0.364 0.000 0.916 117 R CB 1.444 31.962 30.300 0.363 0.000 1.124 117 R HN 0.875 nan 8.270 nan 0.000 0.463 118 S N 1.089 117.099 115.700 0.516 0.000 2.722 118 S HA 0.740 5.210 4.470 0.001 0.000 0.292 118 S C -0.480 174.153 174.600 0.055 0.000 1.135 118 S CA -0.713 57.687 58.200 0.335 0.000 1.003 118 S CB 1.433 64.739 63.200 0.177 0.000 1.067 118 S HN 0.617 nan 8.310 nan 0.000 0.546 119 F N 1.249 120.919 119.950 -0.466 0.000 3.152 119 F HA 0.475 5.003 4.527 0.001 0.000 0.367 119 F C -1.204 174.161 175.800 -0.724 0.000 1.272 119 F CA -0.325 57.139 58.000 -0.893 0.000 1.172 119 F CB 0.827 38.881 39.000 -1.576 0.000 1.552 119 F HN 0.809 nan 8.300 nan 0.000 0.616 120 S N 6.875 121.954 115.700 -1.036 0.000 2.502 120 S HA 0.859 5.330 4.470 0.001 0.000 0.304 120 S C -0.669 173.060 174.600 -1.452 0.000 1.097 120 S CA -0.709 56.825 58.200 -1.111 0.000 1.045 120 S CB 1.947 64.406 63.200 -1.235 0.000 1.019 120 S HN 0.788 nan 8.310 nan 0.000 0.481 121 I N -1.034 118.981 120.570 -0.925 0.000 2.785 121 I HA 0.733 4.903 4.170 0.001 0.000 0.302 121 I C -0.872 175.190 176.117 -0.091 0.000 1.069 121 I CA -1.055 59.910 61.300 -0.558 0.000 1.045 121 I CB 2.081 39.670 38.000 -0.685 0.000 1.236 121 I HN 0.620 nan 8.210 nan 0.000 0.429 122 K N 3.712 124.125 120.400 0.021 0.000 2.413 122 K HA 0.424 4.745 4.320 0.001 0.000 0.257 122 K C -0.924 175.580 176.600 -0.160 0.000 0.946 122 K CA -0.691 55.582 56.287 -0.023 0.000 0.823 122 K CB 1.145 33.601 32.500 -0.072 0.000 1.109 122 K HN 0.655 nan 8.250 nan 0.000 0.427 123 F N 2.680 122.582 119.950 -0.080 0.000 2.708 123 F HA 0.109 4.636 4.527 0.001 0.000 0.299 123 F C 0.627 176.385 175.800 -0.070 0.000 1.289 123 F CA 0.291 58.191 58.000 -0.167 0.000 1.444 123 F CB 0.067 38.812 39.000 -0.426 0.000 1.086 123 F HN 0.471 nan 8.300 nan 0.000 0.528 124 A N -0.575 122.295 122.820 0.082 0.000 2.594 124 A HA 0.443 4.763 4.320 0.001 0.000 0.295 124 A C -1.097 176.493 177.584 0.009 0.000 1.071 124 A CA -0.789 51.291 52.037 0.072 0.000 0.685 124 A CB 0.961 19.992 19.000 0.051 0.000 1.285 124 A HN -0.079 nan 8.150 nan 0.000 0.405 125 D N 1.743 122.153 120.400 0.016 0.000 2.639 125 D HA 0.453 5.094 4.640 0.001 0.000 0.233 125 D C -0.270 176.009 176.300 -0.034 0.000 1.161 125 D CA 0.457 54.448 54.000 -0.015 0.000 1.003 125 D CB -0.144 40.658 40.800 0.004 0.000 1.034 125 D HN 0.600 nan 8.370 nan 0.000 0.514 126 S N 0.288 115.948 115.700 -0.067 0.000 2.564 126 S HA 0.290 4.760 4.470 0.001 0.000 0.274 126 S C 0.544 175.068 174.600 -0.126 0.000 1.124 126 S CA -0.879 57.275 58.200 -0.077 0.000 0.869 126 S CB 1.790 64.956 63.200 -0.057 0.000 1.105 126 S HN -0.114 nan 8.310 nan 0.000 0.472 127 D N 1.562 121.896 120.400 -0.111 0.000 2.265 127 D HA 0.056 4.697 4.640 0.001 0.000 0.208 127 D C 0.967 177.164 176.300 -0.173 0.000 0.977 127 D CA 1.914 55.833 54.000 -0.134 0.000 0.871 127 D CB 0.015 40.760 40.800 -0.092 0.000 0.925 127 D HN 0.727 nan 8.370 nan 0.000 0.485 128 S N -2.160 113.449 115.700 -0.152 0.000 2.655 128 S HA 0.435 4.905 4.470 0.001 0.000 0.266 128 S C -0.960 173.575 174.600 -0.109 0.000 1.149 128 S CA -0.821 57.290 58.200 -0.149 0.000 0.818 128 S CB 2.017 65.158 63.200 -0.098 0.000 1.130 128 S HN -0.076 nan 8.310 nan 0.000 0.476 129 D N -0.124 120.226 120.400 -0.082 0.000 3.301 129 D HA 0.220 4.860 4.640 0.001 0.000 0.217 129 D C 0.705 176.982 176.300 -0.039 0.000 1.548 129 D CA 2.499 56.472 54.000 -0.046 0.000 1.118 129 D CB -1.616 39.165 40.800 -0.032 0.000 0.684 129 D HN 2.098 nan 8.370 nan 0.000 0.821 130 G N -1.566 107.226 108.800 -0.013 0.000 2.396 130 G HA2 0.122 4.083 3.960 0.001 0.000 0.254 130 G HA3 0.122 4.083 3.960 0.001 0.000 0.254 130 G C -2.242 172.675 174.900 0.029 0.000 1.248 130 G CA 0.374 45.482 45.100 0.014 0.000 1.033 130 G HN 0.596 nan 8.290 nan 0.000 0.502 131 P HA 0.388 nan 4.420 nan 0.000 0.217 131 P C 0.347 177.623 177.300 -0.040 0.000 1.153 131 P CA 1.004 64.138 63.100 0.057 0.000 0.843 131 P CB 0.516 32.312 31.700 0.160 0.000 0.794 132 L N -0.670 120.570 121.223 0.029 0.000 2.591 132 L HA 0.520 4.861 4.340 0.001 0.000 0.257 132 L C -2.198 174.804 176.870 0.220 0.000 0.935 132 L CA -0.511 54.352 54.840 0.038 0.000 0.873 132 L CB 2.188 44.136 42.059 -0.186 0.000 1.397 132 L HN -0.323 nan 8.230 nan 0.000 0.414 133 D N 4.084 124.566 120.400 0.137 0.000 2.457 133 D HA 0.651 5.292 4.640 0.001 0.000 0.240 133 D C -0.843 175.493 176.300 0.060 0.000 1.041 133 D CA 0.192 54.261 54.000 0.116 0.000 0.861 133 D CB 2.659 43.545 40.800 0.144 0.000 1.394 133 D HN 0.475 nan 8.370 nan 0.000 0.473 134 I N 1.360 121.898 120.570 -0.052 0.000 2.439 134 I HA 0.204 4.374 4.170 0.001 0.000 0.283 134 I C -0.624 175.411 176.117 -0.136 0.000 1.023 134 I CA -0.984 60.248 61.300 -0.114 0.000 1.100 134 I CB 1.871 39.706 38.000 -0.274 0.000 1.238 134 I HN 0.031 nan 8.210 nan 0.000 0.445 135 V N 4.539 124.417 119.914 -0.060 0.000 2.328 135 V HA 0.586 4.707 4.120 0.001 0.000 0.278 135 V C -0.007 176.086 176.094 -0.001 0.000 1.021 135 V CA -0.532 61.705 62.300 -0.105 0.000 0.838 135 V CB 1.128 32.921 31.823 -0.051 0.000 0.999 135 V HN 0.654 nan 8.190 nan 0.000 0.447 136 M N 3.895 123.502 119.600 0.013 0.000 2.644 136 M HA 0.606 5.086 4.480 0.001 0.000 0.316 136 M C -0.726 175.683 176.300 0.182 0.000 1.200 136 M CA -0.473 54.901 55.300 0.123 0.000 0.944 136 M CB 2.366 35.045 32.600 0.132 0.000 1.691 136 M HN 0.663 nan 8.290 nan 0.000 0.471 137 N N 0.013 118.863 118.700 0.249 0.000 2.380 137 N HA 0.473 5.214 4.740 0.001 0.000 0.290 137 N C -1.174 174.516 175.510 0.301 0.000 1.236 137 N CA -0.380 52.853 53.050 0.305 0.000 0.780 137 N CB 1.842 40.465 38.487 0.227 0.000 1.438 137 N HN 0.618 nan 8.380 nan 0.000 0.491 138 T N -1.310 113.383 114.554 0.231 0.000 2.916 138 T HA 0.560 4.910 4.350 0.001 0.000 0.303 138 T C 0.628 175.356 174.700 0.046 0.000 1.025 138 T CA -0.219 61.921 62.100 0.066 0.000 1.142 138 T CB 0.401 69.257 68.868 -0.019 0.000 0.947 138 T HN 0.764 nan 8.240 nan 0.000 0.544 139 G N 2.693 111.497 108.800 0.007 0.000 3.435 139 G HA2 -0.041 3.919 3.960 0.001 0.000 0.683 139 G HA3 -0.041 3.919 3.960 0.001 0.000 0.683 139 G C 0.181 174.884 174.900 -0.329 0.000 1.189 139 G CA -0.226 44.794 45.100 -0.132 0.000 1.069 139 G HN 0.930 nan 8.290 nan 0.000 0.508 140 E N 0.811 120.662 120.200 -0.582 0.000 2.393 140 E HA 0.193 4.543 4.350 0.001 0.000 0.201 140 E C 1.094 177.356 176.600 -0.563 0.000 1.025 140 E CA 1.377 57.195 56.400 -0.970 0.000 0.856 140 E CB 0.137 29.452 29.700 -0.642 0.000 0.771 140 E HN 1.896 nan 8.360 nan 0.000 0.526 141 A N 0.299 122.918 122.820 -0.334 0.000 2.605 141 A HA 0.343 4.663 4.320 0.001 0.000 0.294 141 A C -1.444 176.063 177.584 -0.128 0.000 1.062 141 A CA -0.765 51.155 52.037 -0.194 0.000 0.682 141 A CB 1.235 20.130 19.000 -0.174 0.000 1.278 141 A HN 0.131 nan 8.150 nan 0.000 0.410 142 N N -0.053 118.596 118.700 -0.085 0.000 2.463 142 N HA 0.426 5.167 4.740 0.001 0.000 0.270 142 N C 0.993 176.479 175.510 -0.040 0.000 1.205 142 N CA -0.100 52.852 53.050 -0.164 0.000 0.974 142 N CB 0.772 39.064 38.487 -0.326 0.000 1.197 142 N HN 0.680 nan 8.380 nan 0.000 0.504 143 I N -1.488 118.956 120.570 -0.209 0.000 3.684 143 I HA 0.225 4.396 4.170 0.001 0.000 0.304 143 I C -0.535 175.634 176.117 0.087 0.000 1.278 143 I CA 0.058 61.394 61.300 0.060 0.000 1.272 143 I CB -0.353 37.614 38.000 -0.054 0.000 1.029 143 I HN 0.215 nan 8.210 nan 0.000 0.458 144 F N -0.465 119.488 119.950 0.005 0.000 2.711 144 F HA 0.660 5.187 4.527 0.001 0.000 0.313 144 F C -0.861 174.896 175.800 -0.071 0.000 1.141 144 F CA -1.948 55.774 58.000 -0.464 0.000 0.941 144 F CB 0.269 39.129 39.000 -0.233 0.000 1.349 144 F HN 0.088 nan 8.300 nan 0.000 0.464 145 W N 0.154 121.703 121.300 0.415 0.000 1.262 145 W HA 0.430 5.091 4.660 0.001 0.000 0.190 145 W C -0.940 175.637 176.519 0.097 0.000 0.745 145 W CA 0.119 57.505 57.345 0.068 0.000 0.841 145 W CB -0.442 28.706 29.460 -0.520 0.000 0.861 145 W HN 0.762 nan 8.180 nan 0.000 0.455 146 N N -0.707 118.082 118.700 0.149 0.000 3.373 146 N HA 0.141 4.881 4.740 0.001 0.000 0.275 146 N C 0.592 176.103 175.510 0.002 0.000 1.489 146 N CA 0.070 53.205 53.050 0.142 0.000 0.872 146 N CB 0.491 39.158 38.487 0.300 0.000 1.555 146 N HN -0.203 nan 8.380 nan 0.000 0.500 147 S N -0.340 115.371 115.700 0.019 0.000 2.377 147 S HA -0.054 4.417 4.470 0.001 0.000 0.224 147 S C -1.023 173.616 174.600 0.066 0.000 1.042 147 S CA 2.578 60.790 58.200 0.020 0.000 1.086 147 S CB -1.251 62.009 63.200 0.100 0.000 0.995 147 S HN 0.624 nan 8.310 nan 0.000 0.428 148 P HA -0.053 nan 4.420 nan 0.000 0.216 148 P C 2.039 179.387 177.300 0.080 0.000 1.153 148 P CA 1.918 65.083 63.100 0.108 0.000 0.848 148 P CB -0.352 31.436 31.700 0.146 0.000 0.787 149 S N -0.836 114.860 115.700 -0.006 0.000 2.419 149 S HA -0.163 4.307 4.470 0.001 0.000 0.235 149 S C 1.872 176.442 174.600 -0.050 0.000 1.019 149 S CA 1.030 59.157 58.200 -0.122 0.000 0.982 149 S CB -1.566 61.060 63.200 -0.957 0.000 0.789 149 S HN -0.011 nan 8.310 nan 0.000 0.490 150 L N 2.006 123.152 121.223 -0.128 0.000 2.005 150 L HA 0.064 4.405 4.340 0.001 0.000 0.207 150 L C 2.401 179.246 176.870 -0.042 0.000 1.072 150 L CA 1.903 56.595 54.840 -0.247 0.000 0.744 150 L CB -1.031 40.773 42.059 -0.425 0.000 0.895 150 L HN 0.280 nan 8.230 nan 0.000 0.433 151 E N -0.463 119.754 120.200 0.028 0.000 2.130 151 E HA -0.264 4.086 4.350 0.001 0.000 0.196 151 E C 1.742 178.336 176.600 -0.010 0.000 0.998 151 E CA 1.345 57.751 56.400 0.010 0.000 0.806 151 E CB -0.211 29.499 29.700 0.017 0.000 0.738 151 E HN 0.518 nan 8.360 nan 0.000 0.459 152 D N -0.340 120.086 120.400 0.043 0.000 2.221 152 D HA -0.158 4.483 4.640 0.001 0.000 0.204 152 D C 1.330 177.607 176.300 -0.040 0.000 0.982 152 D CA 0.751 54.796 54.000 0.075 0.000 0.857 152 D CB -0.070 40.790 40.800 0.101 0.000 0.934 152 D HN 0.147 nan 8.370 nan 0.000 0.475 153 F N 0.362 120.132 119.950 -0.300 0.000 2.446 153 F HA 0.041 4.569 4.527 0.001 0.000 0.292 153 F C 1.914 177.535 175.800 -0.298 0.000 1.096 153 F CA 0.142 57.838 58.000 -0.506 0.000 1.438 153 F CB -0.460 38.403 39.000 -0.229 0.000 1.107 153 F HN -0.247 nan 8.300 nan 0.000 0.546 154 V N 2.980 122.693 119.914 -0.336 0.000 2.277 154 V HA -0.278 3.842 4.120 0.001 0.000 0.253 154 V C -0.167 175.720 176.094 -0.346 0.000 1.067 154 V CA 2.716 64.772 62.300 -0.405 0.000 1.047 154 V CB -1.937 29.706 31.823 -0.300 0.000 0.649 154 V HN 0.301 nan 8.190 nan 0.000 0.447 155 P HA 0.094 nan 4.420 nan 0.000 0.251 155 P C 0.393 177.635 177.300 -0.097 0.000 1.223 155 P CA 0.329 63.340 63.100 -0.149 0.000 0.796 155 P CB -0.010 31.636 31.700 -0.091 0.000 1.068 156 V N 2.636 122.480 119.914 -0.116 0.000 2.486 156 V HA -0.064 4.056 4.120 0.001 0.000 0.290 156 V C 0.863 177.007 176.094 0.085 0.000 0.991 156 V CA 1.085 63.394 62.300 0.015 0.000 1.142 156 V CB -0.813 31.036 31.823 0.042 0.000 0.926 156 V HN 0.159 nan 8.190 nan 0.000 0.472 157 E N 3.017 123.318 120.200 0.167 0.000 2.355 157 E HA 0.375 4.725 4.350 0.001 0.000 0.261 157 E C -0.130 176.709 176.600 0.398 0.000 0.943 157 E CA -0.984 55.567 56.400 0.252 0.000 0.806 157 E CB 1.413 31.201 29.700 0.146 0.000 1.286 157 E HN 0.683 nan 8.360 nan 0.000 0.424 158 E N 0.323 120.824 120.200 0.503 0.000 2.442 158 E HA 0.196 4.547 4.350 0.001 0.000 0.262 158 E C 0.426 177.144 176.600 0.195 0.000 1.004 158 E CA 1.140 57.763 56.400 0.372 0.000 0.928 158 E CB 0.287 30.148 29.700 0.268 0.000 0.937 158 E HN 0.669 nan 8.360 nan 0.000 0.446 159 G N 4.493 113.375 108.800 0.137 0.000 2.475 159 G HA2 -0.266 3.694 3.960 0.001 0.000 0.223 159 G HA3 -0.266 3.694 3.960 0.001 0.000 0.223 159 G C 0.508 175.458 174.900 0.084 0.000 1.201 159 G CA 0.071 45.245 45.100 0.124 0.000 0.962 159 G HN 0.640 nan 8.290 nan 0.000 0.586 160 D N 0.607 121.017 120.400 0.018 0.000 2.103 160 D HA -0.126 4.514 4.640 0.001 0.000 0.190 160 D C 2.891 179.206 176.300 0.025 0.000 0.997 160 D CA 2.684 56.660 54.000 -0.039 0.000 0.833 160 D CB -0.829 39.952 40.800 -0.031 0.000 0.961 160 D HN 0.958 nan 8.370 nan 0.000 0.447 161 A N 1.525 124.385 122.820 0.066 0.000 1.915 161 A HA -0.250 4.070 4.320 0.001 0.000 0.220 161 A C 2.387 180.070 177.584 0.164 0.000 1.198 161 A CA 3.250 55.346 52.037 0.097 0.000 0.647 161 A CB -0.947 18.105 19.000 0.087 0.000 0.825 161 A HN 0.313 nan 8.150 nan 0.000 0.456 162 A N -0.826 122.118 122.820 0.206 0.000 1.845 162 A HA -0.181 4.140 4.320 0.001 0.000 0.215 162 A C 2.046 179.813 177.584 0.305 0.000 1.195 162 A CA 1.911 54.126 52.037 0.297 0.000 0.616 162 A CB -0.745 18.424 19.000 0.281 0.000 0.832 162 A HN 0.697 nan 8.150 nan 0.000 0.443 163 E N -0.282 120.044 120.200 0.210 0.000 2.065 163 E HA -0.316 4.035 4.350 0.001 0.000 0.201 163 E C 2.035 178.740 176.600 0.176 0.000 1.016 163 E CA 1.822 58.268 56.400 0.077 0.000 0.818 163 E CB -0.242 29.084 29.700 -0.623 0.000 0.749 163 E HN 0.727 nan 8.360 nan 0.000 0.453 164 E N -0.749 119.531 120.200 0.133 0.000 2.049 164 E HA -0.270 4.081 4.350 0.001 0.000 0.198 164 E C 2.040 178.811 176.600 0.285 0.000 1.007 164 E CA 1.599 58.112 56.400 0.188 0.000 0.809 164 E CB -0.373 29.406 29.700 0.132 0.000 0.749 164 E HN 0.427 nan 8.360 nan 0.000 0.450 165 Y N 1.410 121.803 120.300 0.155 0.000 2.030 165 Y HA -0.287 4.264 4.550 0.001 0.000 0.274 165 Y C 2.276 178.299 175.900 0.205 0.000 1.153 165 Y CA 2.298 60.478 58.100 0.133 0.000 1.115 165 Y CB -0.878 37.624 38.460 0.071 0.000 0.969 165 Y HN 0.043 nan 8.280 nan 0.000 0.488 166 V N -1.793 118.148 119.914 0.045 0.000 2.794 166 V HA -0.302 3.819 4.120 0.001 0.000 0.260 166 V C 1.354 177.480 176.094 0.053 0.000 1.103 166 V CA 2.046 64.256 62.300 -0.150 0.000 1.125 166 V CB -1.669 29.958 31.823 -0.327 0.000 0.702 166 V HN 0.573 nan 8.190 nan 0.000 0.494 167 Y N -0.337 120.116 120.300 0.256 0.000 2.507 167 Y HA 0.380 4.931 4.550 0.001 0.000 0.254 167 Y C 2.129 178.192 175.900 0.271 0.000 1.171 167 Y CA -0.193 58.109 58.100 0.338 0.000 1.238 167 Y CB 0.469 39.103 38.460 0.290 0.000 1.148 167 Y HN 0.140 nan 8.280 nan 0.000 0.525 168 K N 0.715 121.322 120.400 0.345 0.000 2.444 168 K HA 0.046 4.366 4.320 0.001 0.000 0.193 168 K C 0.023 176.777 176.600 0.257 0.000 1.024 168 K CA 0.355 56.843 56.287 0.335 0.000 1.077 168 K CB 0.114 32.820 32.500 0.342 0.000 0.833 168 K HN 0.189 nan 8.250 nan 0.000 0.517 169 N N -0.379 118.364 118.700 0.071 0.000 4.091 169 N HA 0.006 4.747 4.740 0.001 0.000 0.196 169 N C -2.798 172.398 175.510 -0.523 0.000 1.048 169 N CA -0.707 52.144 53.050 -0.332 0.000 1.120 169 N CB 1.685 39.807 38.487 -0.608 0.000 1.637 169 N HN -0.284 nan 8.380 nan 0.000 0.727 170 P HA -0.032 nan 4.420 nan 0.000 0.228 170 P C 0.645 177.719 177.300 -0.375 0.000 1.151 170 P CA 1.051 63.569 63.100 -0.969 0.000 0.770 170 P CB 0.055 30.947 31.700 -1.347 0.000 0.786 171 Y N -2.216 118.033 120.300 -0.085 0.000 2.436 171 Y HA -0.022 4.529 4.550 0.001 0.000 0.288 171 Y C 2.387 178.418 175.900 0.220 0.000 1.112 171 Y CA 0.387 58.573 58.100 0.144 0.000 1.220 171 Y CB -0.704 37.802 38.460 0.078 0.000 1.073 171 Y HN -0.194 nan 8.280 nan 0.000 0.552 172 Y N -1.676 118.762 120.300 0.230 0.000 2.315 172 Y HA -0.296 4.255 4.550 0.001 0.000 0.288 172 Y C 2.022 177.924 175.900 0.004 0.000 1.154 172 Y CA 0.720 58.806 58.100 -0.023 0.000 1.229 172 Y CB -1.017 37.133 38.460 -0.517 0.000 0.980 172 Y HN 0.220 nan 8.280 nan 0.000 0.540 173 Y N -1.651 118.723 120.300 0.123 0.000 2.239 173 Y HA -0.127 4.423 4.550 0.001 0.000 0.293 173 Y C 2.404 178.420 175.900 0.194 0.000 1.126 173 Y CA 0.954 59.117 58.100 0.106 0.000 1.128 173 Y CB -1.093 37.370 38.460 0.005 0.000 1.066 173 Y HN 0.072 nan 8.280 nan 0.000 0.516 174 Y N 0.806 121.316 120.300 0.350 0.000 2.574 174 Y HA -0.091 4.460 4.550 0.001 0.000 0.294 174 Y C 1.299 177.342 175.900 0.239 0.000 1.142 174 Y CA 1.307 59.582 58.100 0.292 0.000 1.314 174 Y CB -0.375 38.287 38.460 0.337 0.000 0.991 174 Y HN 0.119 nan 8.280 nan 0.000 0.555 175 N N -0.305 118.477 118.700 0.137 0.000 2.387 175 N HA -0.056 4.684 4.740 0.001 0.000 0.176 175 N C 1.661 177.189 175.510 0.030 0.000 1.022 175 N CA 0.895 53.943 53.050 -0.003 0.000 0.883 175 N CB -0.567 37.984 38.487 0.107 0.000 1.019 175 N HN 0.382 nan 8.380 nan 0.000 0.435 176 L N 1.013 122.305 121.223 0.114 0.000 2.079 176 L HA -0.068 4.273 4.340 0.001 0.000 0.210 176 L C 1.710 178.642 176.870 0.104 0.000 1.081 176 L CA 1.364 56.260 54.840 0.093 0.000 0.752 176 L CB -0.578 41.559 42.059 0.129 0.000 0.896 176 L HN -0.082 nan 8.230 nan 0.000 0.433 177 V N -0.294 119.711 119.914 0.153 0.000 2.343 177 V HA -0.236 3.885 4.120 0.001 0.000 0.247 177 V C 2.625 178.806 176.094 0.145 0.000 1.051 177 V CA 1.834 64.255 62.300 0.202 0.000 1.036 177 V CB -0.680 31.325 31.823 0.303 0.000 0.654 177 V HN 0.461 nan 8.190 nan 0.000 0.451 178 E N -0.011 120.206 120.200 0.029 0.000 2.204 178 E HA -0.128 4.223 4.350 0.001 0.000 0.194 178 E C 2.176 178.737 176.600 -0.064 0.000 0.989 178 E CA 1.372 57.735 56.400 -0.062 0.000 0.824 178 E CB -0.169 29.403 29.700 -0.214 0.000 0.756 178 E HN 0.608 nan 8.360 nan 0.000 0.477 179 A N 0.387 123.189 122.820 -0.029 0.000 1.997 179 A HA 0.119 4.440 4.320 0.001 0.000 0.212 179 A C 1.326 178.913 177.584 0.005 0.000 1.178 179 A CA -0.108 51.914 52.037 -0.024 0.000 0.698 179 A CB -0.027 18.951 19.000 -0.036 0.000 0.842 179 A HN 0.088 nan 8.150 nan 0.000 0.458 180 L N 1.375 122.623 121.223 0.042 0.000 2.456 180 L HA 0.230 4.571 4.340 0.001 0.000 0.272 180 L C -0.034 176.863 176.870 0.045 0.000 1.189 180 L CA -0.138 54.741 54.840 0.065 0.000 0.846 180 L CB 0.418 42.556 42.059 0.133 0.000 1.111 180 L HN 0.213 nan 8.230 nan 0.000 0.475 181 R N 3.544 124.066 120.500 0.036 0.000 2.507 181 R HA 0.269 4.609 4.340 0.001 0.000 0.298 181 R C -0.795 175.527 176.300 0.038 0.000 1.087 181 R CA -0.604 55.506 56.100 0.017 0.000 0.917 181 R CB 1.458 31.743 30.300 -0.025 0.000 1.173 181 R HN 0.531 nan 8.270 nan 0.000 0.472 182 R N 1.787 122.327 120.500 0.067 0.000 2.220 182 R HA 0.292 4.633 4.340 0.001 0.000 0.340 182 R C -0.234 176.126 176.300 0.100 0.000 1.076 182 R CA 0.232 56.387 56.100 0.091 0.000 0.920 182 R CB 0.576 30.951 30.300 0.124 0.000 1.062 182 R HN 0.783 nan 8.270 nan 0.000 0.469 183 A N 5.100 127.996 122.820 0.127 0.000 2.091 183 A HA -0.125 4.196 4.320 0.001 0.000 0.270 183 A C -2.133 175.560 177.584 0.183 0.000 1.368 183 A CA 0.014 52.199 52.037 0.246 0.000 0.745 183 A CB -1.264 17.882 19.000 0.243 0.000 1.173 183 A HN 0.627 nan 8.150 nan 0.000 0.322 184 P HA 0.304 nan 4.420 nan 0.000 0.277 184 P C 0.576 177.938 177.300 0.103 0.000 1.271 184 P CA -0.197 62.931 63.100 0.047 0.000 0.795 184 P CB 0.597 32.273 31.700 -0.039 0.000 1.101 185 D N -1.303 119.123 120.400 0.043 0.000 2.092 185 D HA -0.051 4.590 4.640 0.001 0.000 0.193 185 D C 0.627 176.997 176.300 0.117 0.000 0.994 185 D CA 1.827 55.858 54.000 0.051 0.000 0.828 185 D CB -0.131 40.664 40.800 -0.009 0.000 0.963 185 D HN 0.417 nan 8.370 nan 0.000 0.450 186 T N -2.574 112.031 114.554 0.085 0.000 2.977 186 T HA 0.156 4.507 4.350 0.001 0.000 0.345 186 T C -0.118 174.626 174.700 0.072 0.000 1.562 186 T CA -0.732 61.429 62.100 0.101 0.000 1.090 186 T CB -0.149 68.864 68.868 0.242 0.000 1.383 186 T HN -0.110 nan 8.240 nan 0.000 0.484 187 F N 2.199 122.168 119.950 0.032 0.000 2.192 187 F HA -0.012 4.516 4.527 0.001 0.000 0.301 187 F C 2.673 178.511 175.800 0.063 0.000 1.079 187 F CA 1.470 59.383 58.000 -0.145 0.000 1.303 187 F CB -0.210 38.218 39.000 -0.953 0.000 1.024 187 F HN 0.715 nan 8.300 nan 0.000 0.494 188 A N -1.973 121.065 122.820 0.363 0.000 2.248 188 A HA -0.113 4.208 4.320 0.001 0.000 0.210 188 A C 1.094 178.698 177.584 0.033 0.000 1.174 188 A CA 1.042 53.263 52.037 0.306 0.000 0.750 188 A CB -0.718 18.436 19.000 0.256 0.000 0.780 188 A HN 0.495 nan 8.150 nan 0.000 0.478 189 H N -1.670 117.504 119.070 0.173 0.000 2.665 189 H HA 0.368 4.925 4.556 0.001 0.000 0.248 189 H C -1.174 174.197 175.328 0.071 0.000 1.175 189 H CA -0.272 55.829 56.048 0.088 0.000 0.952 189 H CB 0.332 30.123 29.762 0.048 0.000 1.883 189 H HN 0.249 nan 8.280 nan 0.000 0.623 190 L N 0.236 121.548 121.223 0.149 0.000 2.313 190 L HA 0.311 4.651 4.340 0.001 0.000 0.268 190 L C -0.452 176.275 176.870 -0.238 0.000 1.010 190 L CA -0.820 53.976 54.840 -0.074 0.000 0.814 190 L CB 0.997 42.877 42.059 -0.298 0.000 1.304 190 L HN -0.003 nan 8.230 nan 0.000 0.441 191 Y N 0.907 120.911 120.300 -0.492 0.000 2.308 191 Y HA 0.494 5.044 4.550 0.001 0.000 0.329 191 Y C -0.837 174.671 175.900 -0.654 0.000 1.111 191 Y CA -0.248 57.573 58.100 -0.465 0.000 1.179 191 Y CB 0.761 39.085 38.460 -0.227 0.000 1.201 191 Y HN 0.284 nan 8.280 nan 0.000 0.483 192 Y N 2.230 122.340 120.300 -0.317 0.000 2.442 192 Y HA 0.535 5.086 4.550 0.001 0.000 0.344 192 Y C -1.291 174.348 175.900 -0.436 0.000 0.976 192 Y CA -1.370 56.580 58.100 -0.251 0.000 1.040 192 Y CB 1.539 39.786 38.460 -0.356 0.000 1.228 192 Y HN 0.433 nan 8.280 nan 0.000 0.451 193 Y N 0.028 120.355 120.300 0.044 0.000 2.442 193 Y HA 0.224 4.774 4.550 0.001 0.000 0.344 193 Y C 1.084 177.029 175.900 0.075 0.000 0.976 193 Y CA -0.851 57.261 58.100 0.020 0.000 1.040 193 Y CB 2.462 40.923 38.460 0.002 0.000 1.228 193 Y HN 0.690 nan 8.280 nan 0.000 0.451 194 S N 0.770 116.623 115.700 0.255 0.000 2.402 194 S HA -0.197 4.274 4.470 0.001 0.000 0.229 194 S C 1.077 175.783 174.600 0.177 0.000 1.021 194 S CA 1.718 60.061 58.200 0.239 0.000 0.974 194 S CB -0.178 63.242 63.200 0.367 0.000 0.800 194 S HN 0.939 nan 8.310 nan 0.000 0.484 195 Q N -0.631 119.264 119.800 0.158 0.000 2.446 195 Q HA -0.229 4.111 4.340 0.001 0.000 0.184 195 Q C 0.347 176.377 176.000 0.049 0.000 2.887 195 Q CA 1.713 57.559 55.803 0.071 0.000 0.208 195 Q CB -2.320 26.451 28.738 0.055 0.000 0.206 195 Q HN 0.791 nan 8.270 nan 0.000 0.395 196 V N 0.694 120.661 119.914 0.088 0.000 2.788 196 V HA 0.187 4.308 4.120 0.001 0.000 0.307 196 V C 0.426 176.577 176.094 0.094 0.000 1.069 196 V CA 0.642 63.004 62.300 0.102 0.000 1.173 196 V CB 1.127 33.013 31.823 0.106 0.000 0.925 196 V HN 0.276 nan 8.190 nan 0.000 0.492 197 T N 7.486 122.125 114.554 0.142 0.000 2.723 197 T HA 0.497 4.847 4.350 0.001 0.000 0.297 197 T C 0.019 174.817 174.700 0.163 0.000 0.925 197 T CA -0.134 62.091 62.100 0.208 0.000 1.030 197 T CB 0.055 69.156 68.868 0.389 0.000 0.905 197 T HN 0.645 nan 8.240 nan 0.000 0.502 198 M N 5.572 125.270 119.600 0.163 0.000 2.537 198 M HA 0.458 4.939 4.480 0.001 0.000 0.324 198 M C -2.393 174.072 176.300 0.275 0.000 1.187 198 M CA -2.620 52.779 55.300 0.165 0.000 0.993 198 M CB 1.688 34.364 32.600 0.126 0.000 1.666 198 M HN 0.224 nan 8.290 nan 0.000 0.461 199 P HA 0.380 nan 4.420 nan 0.000 0.276 199 P C -1.480 175.998 177.300 0.296 0.000 1.252 199 P CA -0.137 63.133 63.100 0.283 0.000 0.802 199 P CB 0.913 32.724 31.700 0.185 0.000 1.035 200 F N 0.976 120.954 119.950 0.047 0.000 2.607 200 F HA 0.396 4.924 4.527 0.001 0.000 0.322 200 F C -0.805 175.044 175.800 0.082 0.000 1.176 200 F CA -0.620 57.425 58.000 0.074 0.000 0.977 200 F CB 1.945 40.950 39.000 0.009 0.000 1.242 200 F HN 0.104 nan 8.300 nan 0.000 0.465 201 K N 5.687 125.931 120.400 -0.261 0.000 2.521 201 K HA 0.728 5.049 4.320 0.001 0.000 0.248 201 K C -0.297 176.125 176.600 -0.297 0.000 0.978 201 K CA -0.694 55.477 56.287 -0.195 0.000 0.947 201 K CB 1.658 34.082 32.500 -0.126 0.000 1.165 201 K HN 0.606 nan 8.250 nan 0.000 0.445 202 A N 2.239 124.953 122.820 -0.178 0.000 2.310 202 A HA 0.138 4.459 4.320 0.001 0.000 0.260 202 A C 0.922 178.456 177.584 -0.083 0.000 1.112 202 A CA -0.115 51.883 52.037 -0.065 0.000 0.804 202 A CB 0.323 19.380 19.000 0.095 0.000 1.081 202 A HN 0.781 nan 8.150 nan 0.000 0.499 203 K N -0.073 120.302 120.400 -0.042 0.000 2.209 203 K HA -0.132 4.189 4.320 0.001 0.000 0.204 203 K C 1.023 177.605 176.600 -0.029 0.000 1.048 203 K CA 1.602 57.860 56.287 -0.048 0.000 0.940 203 K CB -0.083 32.405 32.500 -0.021 0.000 0.729 203 K HN 0.830 nan 8.250 nan 0.000 0.451 204 D N -0.791 119.604 120.400 -0.009 0.000 2.277 204 D HA -0.058 4.583 4.640 0.001 0.000 0.208 204 D C 1.059 177.351 176.300 -0.014 0.000 0.962 204 D CA 1.029 55.026 54.000 -0.005 0.000 0.865 204 D CB 0.057 40.863 40.800 0.009 0.000 0.939 204 D HN 0.242 nan 8.370 nan 0.000 0.510 205 G N 1.061 109.848 108.800 -0.023 0.000 2.207 205 G HA2 -0.236 3.724 3.960 0.001 0.000 0.216 205 G HA3 -0.236 3.724 3.960 0.001 0.000 0.216 205 G C -0.131 174.755 174.900 -0.024 0.000 1.053 205 G CA -0.168 44.914 45.100 -0.030 0.000 0.764 205 G HN 0.347 nan 8.290 nan 0.000 0.495 206 K N -0.432 119.958 120.400 -0.017 0.000 2.118 206 K HA 0.620 4.940 4.320 0.001 0.000 0.254 206 K C 0.618 177.196 176.600 -0.038 0.000 0.961 206 K CA -0.851 55.424 56.287 -0.021 0.000 0.876 206 K CB 1.996 34.488 32.500 -0.012 0.000 1.077 206 K HN 0.037 nan 8.250 nan 0.000 0.440 207 V N 3.603 123.477 119.914 -0.067 0.000 2.470 207 V HA 0.236 4.356 4.120 0.001 0.000 0.276 207 V C 0.203 176.165 176.094 -0.220 0.000 1.040 207 V CA 0.017 62.235 62.300 -0.137 0.000 1.008 207 V CB 0.262 32.007 31.823 -0.129 0.000 0.990 207 V HN 0.696 nan 8.190 nan 0.000 0.477 208 R N 3.206 123.557 120.500 -0.249 0.000 2.836 208 R HA 0.699 5.039 4.340 0.001 0.000 0.269 208 R C -1.719 174.373 176.300 -0.347 0.000 1.010 208 R CA -0.829 55.138 56.100 -0.223 0.000 0.930 208 R CB 2.466 32.839 30.300 0.120 0.000 1.218 208 R HN 0.644 nan 8.270 nan 0.000 0.473 209 Y N -0.504 119.968 120.300 0.287 0.000 2.570 209 Y HA 0.623 5.174 4.550 0.001 0.000 0.345 209 Y C -0.228 175.883 175.900 0.351 0.000 1.014 209 Y CA -0.912 57.391 58.100 0.339 0.000 1.063 209 Y CB 2.065 40.780 38.460 0.425 0.000 1.272 209 Y HN 0.642 nan 8.280 nan 0.000 0.477 210 C N -0.093 119.403 119.300 0.327 0.000 2.782 210 C HA 0.779 5.239 4.460 0.001 0.000 0.328 210 C C -1.003 173.768 174.990 -0.364 0.000 1.145 210 C CA -1.407 57.551 59.018 -0.100 0.000 1.358 210 C CB 1.296 28.762 27.740 -0.457 0.000 1.841 210 C HN 0.944 nan 8.230 nan 0.000 0.477 211 R N 1.327 121.445 120.500 -0.636 0.000 2.540 211 R HA 0.639 4.979 4.340 0.001 0.000 0.287 211 R C -1.165 174.961 176.300 -0.290 0.000 0.980 211 R CA -0.301 55.505 56.100 -0.490 0.000 0.966 211 R CB 1.334 31.282 30.300 -0.586 0.000 1.106 211 R HN 0.787 nan 8.270 nan 0.000 0.480 212 Y N 0.494 120.868 120.300 0.124 0.000 2.488 212 Y HA 0.519 5.070 4.550 0.001 0.000 0.325 212 Y C 0.525 176.491 175.900 0.109 0.000 1.204 212 Y CA -0.783 57.425 58.100 0.180 0.000 1.229 212 Y CB 1.382 39.873 38.460 0.052 0.000 1.274 212 Y HN 0.368 nan 8.280 nan 0.000 0.493 213 R N 0.723 121.206 120.500 -0.029 0.000 2.668 213 R HA 0.847 5.187 4.340 0.001 0.000 0.272 213 R C -2.148 173.791 176.300 -0.601 0.000 1.019 213 R CA -0.786 54.901 56.100 -0.688 0.000 0.894 213 R CB 1.725 31.041 30.300 -1.640 0.000 1.228 213 R HN 0.810 nan 8.270 nan 0.000 0.460 214 A N 4.675 127.046 122.820 -0.748 0.000 2.374 214 A HA 0.674 4.995 4.320 0.001 0.000 0.305 214 A C -1.316 175.867 177.584 -0.668 0.000 1.053 214 A CA -0.817 50.761 52.037 -0.765 0.000 0.726 214 A CB 1.069 19.207 19.000 -1.436 0.000 1.229 214 A HN 0.660 nan 8.150 nan 0.000 0.431 215 L N 0.126 121.013 121.223 -0.560 0.000 2.393 215 L HA 0.840 5.181 4.340 0.001 0.000 0.260 215 L C -2.826 173.890 176.870 -0.256 0.000 1.002 215 L CA -2.599 51.865 54.840 -0.626 0.000 0.818 215 L CB 2.322 43.697 42.059 -1.139 0.000 1.369 215 L HN 0.329 nan 8.230 nan 0.000 0.412 216 P HA 0.089 nan 4.420 nan 0.000 0.267 216 P C 0.015 177.200 177.300 -0.193 0.000 1.209 216 P CA 0.297 63.267 63.100 -0.216 0.000 0.763 216 P CB 1.212 32.694 31.700 -0.363 0.000 0.816 217 G N 2.746 111.454 108.800 -0.154 0.000 3.152 217 G HA2 0.016 3.977 3.960 0.001 0.000 0.157 217 G HA3 0.016 3.977 3.960 0.001 0.000 0.157 217 G C 0.337 175.175 174.900 -0.103 0.000 1.786 217 G CA 0.719 45.760 45.100 -0.098 0.000 1.055 217 G HN 0.499 nan 8.290 nan 0.000 0.528 218 D N -2.144 118.212 120.400 -0.073 0.000 4.541 218 D HA -0.251 4.389 4.640 0.001 0.000 0.226 218 D C 0.939 177.227 176.300 -0.021 0.000 0.548 218 D CA 2.334 56.299 54.000 -0.058 0.000 1.208 218 D CB -0.989 39.749 40.800 -0.104 0.000 0.737 218 D HN 0.410 nan 8.370 nan 0.000 0.401 219 V N -0.750 119.163 119.914 -0.001 0.000 3.553 219 V HA 0.511 4.631 4.120 0.001 0.000 0.287 219 V C -0.809 175.313 176.094 0.047 0.000 1.111 219 V CA 0.196 62.527 62.300 0.052 0.000 0.950 219 V CB 1.715 33.610 31.823 0.120 0.000 1.243 219 V HN 0.492 nan 8.190 nan 0.000 0.443 220 D N 0.417 120.860 120.400 0.072 0.000 2.788 220 D HA 0.456 5.096 4.640 0.001 0.000 0.247 220 D C -1.463 174.889 176.300 0.086 0.000 1.236 220 D CA -0.272 53.764 54.000 0.060 0.000 0.898 220 D CB 1.085 41.908 40.800 0.038 0.000 1.401 220 D HN 0.218 nan 8.370 nan 0.000 0.549 221 I N 3.408 124.047 120.570 0.115 0.000 2.436 221 I HA 0.239 4.410 4.170 0.001 0.000 0.289 221 I C 0.381 176.598 176.117 0.167 0.000 1.010 221 I CA -0.698 60.687 61.300 0.142 0.000 1.098 221 I CB 1.791 39.915 38.000 0.206 0.000 1.266 221 I HN 0.393 nan 8.210 nan 0.000 0.434 222 K N 6.357 126.801 120.400 0.073 0.000 3.006 222 K HA 0.101 4.422 4.320 0.001 0.000 0.262 222 K C 0.461 177.010 176.600 -0.085 0.000 1.289 222 K CA -0.036 56.272 56.287 0.034 0.000 1.245 222 K CB 0.324 32.833 32.500 0.014 0.000 1.614 222 K HN 0.519 nan 8.250 nan 0.000 0.322 223 E N 0.266 120.327 120.200 -0.231 0.000 3.437 223 E HA -0.389 3.961 4.350 0.001 0.000 0.407 223 E C 1.207 177.536 176.600 -0.452 0.000 1.489 223 E CA 2.369 58.357 56.400 -0.687 0.000 1.375 223 E CB -0.728 28.636 29.700 -0.560 0.000 1.472 223 E HN 0.511 nan 8.360 nan 0.000 0.418 224 E N 1.627 121.614 120.200 -0.355 0.000 2.172 224 E HA -0.205 4.146 4.350 0.001 0.000 0.213 224 E C 1.334 177.731 176.600 -0.338 0.000 1.051 224 E CA 1.936 58.107 56.400 -0.382 0.000 0.860 224 E CB -0.284 29.324 29.700 -0.154 0.000 0.755 224 E HN 0.352 nan 8.360 nan 0.000 0.462 225 D N 1.088 121.378 120.400 -0.184 0.000 2.389 225 D HA -0.099 4.542 4.640 0.001 0.000 0.250 225 D C -0.068 176.155 176.300 -0.128 0.000 1.136 225 D CA 0.464 54.392 54.000 -0.120 0.000 0.945 225 D CB -0.411 40.357 40.800 -0.054 0.000 0.890 225 D HN 0.359 nan 8.370 nan 0.000 0.525 226 E N 1.248 121.324 120.200 -0.205 0.000 2.130 226 E HA 0.148 4.498 4.350 0.001 0.000 0.284 226 E C -0.143 176.355 176.600 -0.169 0.000 1.018 226 E CA -0.551 55.754 56.400 -0.157 0.000 0.817 226 E CB 0.768 30.346 29.700 -0.202 0.000 1.078 226 E HN -0.051 nan 8.360 nan 0.000 0.396 227 S N 3.114 118.755 115.700 -0.098 0.000 2.558 227 S HA 0.380 4.851 4.470 0.001 0.000 0.288 227 S C 1.030 175.589 174.600 -0.069 0.000 1.318 227 S CA 0.270 58.426 58.200 -0.074 0.000 1.056 227 S CB 1.161 64.333 63.200 -0.047 0.000 0.853 227 S HN 0.930 nan 8.310 nan 0.000 0.505 228 G N 3.108 111.883 108.800 -0.042 0.000 2.697 228 G HA2 -0.194 3.767 3.960 0.001 0.000 0.200 228 G HA3 -0.194 3.767 3.960 0.001 0.000 0.200 228 G C -0.009 174.901 174.900 0.017 0.000 1.106 228 G CA -0.455 44.639 45.100 -0.010 0.000 0.748 228 G HN 0.857 nan 8.290 nan 0.000 0.503 229 R N 1.239 121.715 120.500 -0.039 0.000 2.481 229 R HA 0.214 4.554 4.340 0.001 0.000 0.291 229 R C 0.224 176.674 176.300 0.250 0.000 0.934 229 R CA 0.210 56.343 56.100 0.055 0.000 1.116 229 R CB -0.020 30.133 30.300 -0.245 0.000 0.895 229 R HN 0.396 nan 8.270 nan 0.000 0.410 230 L N 2.625 124.015 121.223 0.280 0.000 2.453 230 L HA 0.066 4.407 4.340 0.001 0.000 0.272 230 L C 1.522 178.548 176.870 0.261 0.000 1.182 230 L CA -0.029 54.948 54.840 0.228 0.000 0.858 230 L CB 0.113 42.273 42.059 0.168 0.000 1.120 230 L HN 0.687 nan 8.230 nan 0.000 0.474 231 T N -1.439 113.205 114.554 0.150 0.000 2.895 231 T HA -0.006 4.345 4.350 0.001 0.000 0.386 231 T C 0.995 175.654 174.700 -0.067 0.000 1.112 231 T CA 0.249 62.383 62.100 0.056 0.000 1.070 231 T CB 0.322 69.193 68.868 0.004 0.000 1.319 231 T HN 0.749 nan 8.240 nan 0.000 0.519 232 E N 0.051 120.135 120.200 -0.193 0.000 2.016 232 E HA -0.159 4.191 4.350 0.001 0.000 0.190 232 E C 2.276 178.766 176.600 -0.184 0.000 0.985 232 E CA 0.822 57.032 56.400 -0.316 0.000 0.802 232 E CB -0.162 29.184 29.700 -0.590 0.000 0.762 232 E HN 0.764 nan 8.360 nan 0.000 0.448 233 E N 0.597 120.710 120.200 -0.146 0.000 2.097 233 E HA -0.262 4.088 4.350 0.001 0.000 0.196 233 E C 1.748 178.301 176.600 -0.078 0.000 1.000 233 E CA 1.451 57.795 56.400 -0.094 0.000 0.804 233 E CB 0.005 29.663 29.700 -0.070 0.000 0.740 233 E HN 0.333 nan 8.360 nan 0.000 0.454 234 E N -0.206 119.966 120.200 -0.046 0.000 2.274 234 E HA -0.142 4.208 4.350 0.001 0.000 0.194 234 E C 2.235 178.796 176.600 -0.065 0.000 0.996 234 E CA 0.504 56.884 56.400 -0.033 0.000 0.840 234 E CB 0.085 29.815 29.700 0.050 0.000 0.772 234 E HN 0.354 nan 8.360 nan 0.000 0.491 235 Q N 0.199 119.986 119.800 -0.022 0.000 2.062 235 Q HA -0.047 4.294 4.340 0.001 0.000 0.196 235 Q C 2.206 178.216 176.000 0.017 0.000 0.967 235 Q CA 0.545 56.376 55.803 0.046 0.000 0.832 235 Q CB 0.098 28.901 28.738 0.108 0.000 0.899 235 Q HN 0.139 nan 8.270 nan 0.000 0.442 236 R N 1.090 121.572 120.500 -0.030 0.000 2.113 236 R HA -0.138 4.203 4.340 0.001 0.000 0.244 236 R C 1.074 177.145 176.300 -0.383 0.000 1.142 236 R CA 1.118 57.191 56.100 -0.046 0.000 0.953 236 R CB -0.386 29.905 30.300 -0.015 0.000 0.860 236 R HN -0.060 nan 8.270 nan 0.000 0.438 237 K N 1.363 121.470 120.400 -0.488 0.000 2.765 237 K HA 0.161 4.482 4.320 0.001 0.000 0.246 237 K C 1.117 177.157 176.600 -0.934 0.000 1.254 237 K CA -0.119 55.620 56.287 -0.914 0.000 1.219 237 K CB -0.333 31.907 32.500 -0.434 0.000 1.747 237 K HN 0.061 nan 8.250 nan 0.000 0.372 238 I N 0.429 120.389 120.570 -1.017 0.000 2.353 238 I HA -0.179 3.992 4.170 0.001 0.000 0.248 238 I C 1.076 176.780 176.117 -0.687 0.000 1.119 238 I CA 1.040 61.987 61.300 -0.588 0.000 1.417 238 I CB 0.140 37.906 38.000 -0.390 0.000 1.078 238 I HN 0.631 nan 8.210 nan 0.000 0.421 239 W N 0.950 122.044 121.300 -0.344 0.000 2.387 239 W HA -0.064 4.597 4.660 0.001 0.000 0.272 239 W C 0.735 176.881 176.519 -0.621 0.000 1.224 239 W CA -0.309 56.752 57.345 -0.472 0.000 1.210 239 W CB -1.108 28.248 29.460 -0.173 0.000 1.125 239 W HN -0.157 nan 8.180 nan 0.000 0.572 240 I N 1.622 121.893 120.570 -0.499 0.000 2.379 240 I HA 0.030 4.201 4.170 0.001 0.000 0.290 240 I C 0.285 176.161 176.117 -0.402 0.000 1.063 240 I CA -0.673 60.421 61.300 -0.344 0.000 1.351 240 I CB -0.601 37.256 38.000 -0.238 0.000 1.410 240 I HN 0.091 nan 8.210 nan 0.000 0.505 241 F N 2.766 122.635 119.950 -0.134 0.000 2.712 241 F HA 0.006 4.534 4.527 0.001 0.000 0.297 241 F C 1.755 177.371 175.800 -0.307 0.000 1.114 241 F CA -0.347 57.526 58.000 -0.212 0.000 1.305 241 F CB 0.402 39.235 39.000 -0.279 0.000 1.086 241 F HN 0.470 nan 8.300 nan 0.000 0.599 242 S N 1.191 116.816 115.700 -0.125 0.000 2.617 242 S HA 0.215 4.685 4.470 0.001 0.000 0.255 242 S C 0.946 175.436 174.600 -0.183 0.000 1.318 242 S CA -0.777 57.325 58.200 -0.163 0.000 0.978 242 S CB 0.719 63.845 63.200 -0.123 0.000 0.961 242 S HN 0.184 nan 8.310 nan 0.000 0.582 243 R N 0.622 121.040 120.500 -0.138 0.000 0.587 243 R HA 0.343 4.684 4.340 0.001 0.000 0.048 243 R C 0.017 176.153 176.300 -0.274 0.000 0.448 243 R CA 0.406 56.438 56.100 -0.114 0.000 2.164 243 R CB -0.552 29.746 30.300 -0.004 0.000 0.482 243 R HN 0.807 nan 8.270 nan 0.000 0.806 244 H N -1.253 117.822 119.070 0.009 0.000 3.068 244 H HA 0.069 4.626 4.556 0.001 0.000 0.342 244 H C 0.049 175.379 175.328 0.004 0.000 1.284 244 H CA -0.606 55.444 56.048 0.003 0.000 1.181 244 H CB 1.890 31.653 29.762 0.001 0.000 1.898 244 H HN 0.371 nan 8.280 nan 0.000 0.540 245 E N 1.015 121.315 120.200 0.168 0.000 2.130 245 E HA -0.148 4.203 4.350 0.001 0.000 0.196 245 E C 0.210 176.847 176.600 0.062 0.000 0.998 245 E CA 1.131 57.582 56.400 0.085 0.000 0.806 245 E CB -0.098 29.641 29.700 0.065 0.000 0.738 245 E HN 0.498 nan 8.360 nan 0.000 0.459 246 N N 0.425 119.161 118.700 0.060 0.000 2.800 246 N HA 0.204 4.945 4.740 0.001 0.000 0.240 246 N C -1.072 174.458 175.510 0.032 0.000 1.096 246 N CA -0.076 52.990 53.050 0.026 0.000 0.877 246 N CB 1.021 39.505 38.487 -0.006 0.000 1.138 246 N HN -0.051 nan 8.380 nan 0.000 0.509 247 E N 1.134 121.363 120.200 0.048 0.000 2.762 247 E HA 0.079 4.429 4.350 0.001 0.000 0.384 247 E C -0.927 175.698 176.600 0.042 0.000 1.086 247 E CA -0.223 56.202 56.400 0.042 0.000 0.769 247 E CB 0.313 30.062 29.700 0.081 0.000 1.560 247 E HN 0.120 nan 8.360 nan 0.000 0.384 248 K N 2.075 122.491 120.400 0.026 0.000 3.100 248 K HA 0.217 4.537 4.320 0.001 0.000 0.256 248 K C 0.072 176.690 176.600 0.030 0.000 1.146 248 K CA -0.148 56.157 56.287 0.031 0.000 1.233 248 K CB -0.135 32.379 32.500 0.023 0.000 1.226 248 K HN 0.308 nan 8.250 nan 0.000 0.442 249 R N 1.469 121.989 120.500 0.033 0.000 2.459 249 R HA 0.190 4.530 4.340 0.001 0.000 0.281 249 R C -2.154 174.217 176.300 0.118 0.000 1.050 249 R CA -1.578 54.543 56.100 0.036 0.000 1.055 249 R CB 0.490 30.759 30.300 -0.051 0.000 1.045 249 R HN -0.021 nan 8.270 nan 0.000 0.495 250 P HA -0.011 nan 4.420 nan 0.000 0.269 250 P C -0.394 177.014 177.300 0.180 0.000 1.217 250 P CA 0.054 63.241 63.100 0.146 0.000 0.783 250 P CB 0.576 32.360 31.700 0.139 0.000 0.898 251 D N 0.133 120.602 120.400 0.115 0.000 2.133 251 D HA -0.171 4.470 4.640 0.001 0.000 0.195 251 D C 0.548 176.878 176.300 0.050 0.000 0.997 251 D CA 1.596 55.646 54.000 0.082 0.000 0.840 251 D CB -0.231 40.609 40.800 0.065 0.000 0.947 251 D HN 0.544 nan 8.370 nan 0.000 0.452 252 D N -0.184 120.257 120.400 0.069 0.000 2.894 252 D HA -0.036 4.605 4.640 0.001 0.000 0.273 252 D C 0.935 177.280 176.300 0.076 0.000 1.328 252 D CA -0.497 53.531 54.000 0.048 0.000 0.845 252 D CB -0.849 39.996 40.800 0.074 0.000 1.072 252 D HN 0.394 nan 8.370 nan 0.000 0.484 253 Y N -0.452 119.888 120.300 0.067 0.000 2.242 253 Y HA 0.017 4.568 4.550 0.001 0.000 0.291 253 Y C 1.493 177.435 175.900 0.070 0.000 1.137 253 Y CA 0.459 58.593 58.100 0.057 0.000 1.181 253 Y CB -0.496 37.983 38.460 0.032 0.000 0.989 253 Y HN 0.101 nan 8.280 nan 0.000 0.527 254 L N 0.417 121.354 121.223 -0.477 0.000 2.270 254 L HA 0.129 4.469 4.340 0.001 0.000 0.210 254 L C 2.335 179.305 176.870 0.167 0.000 1.104 254 L CA 1.140 55.788 54.840 -0.320 0.000 0.804 254 L CB -0.458 41.112 42.059 -0.814 0.000 0.937 254 L HN 0.109 nan 8.230 nan 0.000 0.450 255 R N -0.789 119.838 120.500 0.212 0.000 2.052 255 R HA -0.002 4.339 4.340 0.001 0.000 0.224 255 R C 1.960 178.421 176.300 0.268 0.000 1.149 255 R CA 0.901 57.192 56.100 0.319 0.000 0.962 255 R CB -0.239 30.184 30.300 0.206 0.000 0.856 255 R HN 0.120 nan 8.270 nan 0.000 0.433 256 K N 0.722 121.234 120.400 0.186 0.000 2.574 256 K HA -0.117 4.204 4.320 0.001 0.000 0.193 256 K C 1.725 178.423 176.600 0.164 0.000 1.035 256 K CA 0.595 56.977 56.287 0.157 0.000 0.982 256 K CB 0.196 32.770 32.500 0.124 0.000 0.795 256 K HN 0.207 nan 8.250 nan 0.000 0.491 257 E N 0.017 120.343 120.200 0.210 0.000 2.127 257 E HA -0.121 4.230 4.350 0.001 0.000 0.191 257 E C 1.129 177.851 176.600 0.203 0.000 0.964 257 E CA 0.515 57.031 56.400 0.194 0.000 0.832 257 E CB -0.044 29.789 29.700 0.222 0.000 0.790 257 E HN 0.271 nan 8.360 nan 0.000 0.465 258 Y N 1.035 121.449 120.300 0.189 0.000 2.751 258 Y HA -0.073 4.478 4.550 0.001 0.000 0.310 258 Y C 1.607 177.590 175.900 0.139 0.000 1.176 258 Y CA 0.463 58.683 58.100 0.201 0.000 1.360 258 Y CB 0.146 38.788 38.460 0.303 0.000 0.999 258 Y HN -0.097 nan 8.280 nan 0.000 0.532 259 V N -0.904 119.081 119.914 0.118 0.000 2.825 259 V HA -0.114 4.007 4.120 0.001 0.000 0.246 259 V C 1.667 177.753 176.094 -0.012 0.000 1.068 259 V CA 1.496 63.827 62.300 0.052 0.000 1.088 259 V CB 0.096 31.971 31.823 0.087 0.000 0.733 259 V HN 0.272 nan 8.190 nan 0.000 0.468 260 E N -0.137 120.063 120.200 0.001 0.000 2.250 260 E HA -0.049 4.302 4.350 0.001 0.000 0.192 260 E C 2.274 178.849 176.600 -0.041 0.000 0.986 260 E CA 0.202 56.598 56.400 -0.006 0.000 0.849 260 E CB 0.047 29.762 29.700 0.027 0.000 0.797 260 E HN 0.341 nan 8.360 nan 0.000 0.482 261 R N 0.303 120.749 120.500 -0.089 0.000 2.189 261 R HA -0.065 4.275 4.340 0.001 0.000 0.218 261 R C 1.349 177.566 176.300 -0.138 0.000 1.074 261 R CA 0.571 56.605 56.100 -0.111 0.000 0.991 261 R CB 0.146 30.364 30.300 -0.137 0.000 0.883 261 R HN 0.075 nan 8.270 nan 0.000 0.457 262 L N 0.758 121.877 121.223 -0.173 0.000 2.492 262 L HA -0.054 4.287 4.340 0.001 0.000 0.223 262 L C 2.081 178.911 176.870 -0.066 0.000 1.132 262 L CA 1.175 55.935 54.840 -0.133 0.000 0.850 262 L CB 0.019 41.987 42.059 -0.151 0.000 0.966 262 L HN 0.269 nan 8.230 nan 0.000 0.454 263 Q N -1.304 118.466 119.800 -0.051 0.000 2.350 263 Q HA -0.010 4.331 4.340 0.001 0.000 0.225 263 Q C 1.606 177.593 176.000 -0.022 0.000 0.878 263 Q CA 0.223 56.010 55.803 -0.027 0.000 0.935 263 Q CB 0.017 28.745 28.738 -0.016 0.000 1.099 263 Q HN 0.327 nan 8.270 nan 0.000 0.527 264 K N 0.549 120.932 120.400 -0.028 0.000 2.387 264 K HA 0.259 4.579 4.320 0.001 0.000 0.198 264 K C -0.227 176.359 176.600 -0.022 0.000 1.022 264 K CA 0.578 56.853 56.287 -0.019 0.000 1.128 264 K CB 0.601 33.093 32.500 -0.013 0.000 0.853 264 K HN 0.345 nan 8.250 nan 0.000 0.523 265 G N 1.111 109.892 108.800 -0.032 0.000 2.369 265 G HA2 0.018 3.979 3.960 0.001 0.000 0.293 265 G HA3 0.018 3.979 3.960 0.001 0.000 0.293 265 G C -3.299 171.577 174.900 -0.041 0.000 1.301 265 G CA -1.079 44.003 45.100 -0.030 0.000 0.913 265 G HN -0.105 nan 8.290 nan 0.000 0.540 266 P HA 0.504 nan 4.420 nan 0.000 0.292 266 P C -0.127 177.141 177.300 -0.054 0.000 1.287 266 P CA -0.444 62.638 63.100 -0.031 0.000 0.800 266 P CB 1.693 33.388 31.700 -0.009 0.000 0.945 267 V N 4.891 124.768 119.914 -0.062 0.000 2.455 267 V HA 0.168 4.289 4.120 0.001 0.000 0.273 267 V C 0.405 176.409 176.094 -0.151 0.000 1.045 267 V CA 0.126 62.357 62.300 -0.115 0.000 0.976 267 V CB -0.258 31.537 31.823 -0.047 0.000 0.993 267 V HN 0.521 nan 8.190 nan 0.000 0.475 268 N N 3.876 122.397 118.700 -0.299 0.000 2.321 268 N HA 0.626 5.366 4.740 0.001 0.000 0.299 268 N C -1.171 174.080 175.510 -0.433 0.000 1.048 268 N CA -0.436 52.479 53.050 -0.225 0.000 0.836 268 N CB 1.931 40.364 38.487 -0.090 0.000 1.269 268 N HN 0.518 nan 8.380 nan 0.000 0.486 269 Y N -0.257 120.068 120.300 0.042 0.000 2.570 269 Y HA 0.537 5.088 4.550 0.001 0.000 0.345 269 Y C 0.607 176.495 175.900 -0.020 0.000 1.014 269 Y CA -0.976 57.126 58.100 0.004 0.000 1.063 269 Y CB 1.555 40.063 38.460 0.080 0.000 1.272 269 Y HN 0.121 nan 8.280 nan 0.000 0.477 270 R N 0.965 121.511 120.500 0.076 0.000 2.596 270 R HA 0.673 5.014 4.340 0.001 0.000 0.267 270 R C -1.610 174.680 176.300 -0.017 0.000 1.026 270 R CA -1.017 55.096 56.100 0.021 0.000 1.087 270 R CB 1.079 31.350 30.300 -0.049 0.000 1.132 270 R HN 0.491 nan 8.270 nan 0.000 0.531 271 L N 1.567 122.798 121.223 0.013 0.000 2.406 271 L HA 0.352 4.693 4.340 0.001 0.000 0.270 271 L C -1.161 175.723 176.870 0.023 0.000 0.982 271 L CA -0.275 54.556 54.840 -0.014 0.000 0.843 271 L CB 1.667 43.768 42.059 0.070 0.000 1.225 271 L HN 0.518 nan 8.230 nan 0.000 0.412 272 Q N 3.317 123.099 119.800 -0.030 0.000 2.195 272 Q HA 0.755 5.096 4.340 0.001 0.000 0.250 272 Q C -1.266 174.935 176.000 0.335 0.000 0.988 272 Q CA -0.340 55.549 55.803 0.144 0.000 0.911 272 Q CB 2.479 31.259 28.738 0.069 0.000 1.258 272 Q HN 0.714 nan 8.270 nan 0.000 0.475 273 I N 0.974 121.812 120.570 0.446 0.000 2.627 273 I HA 0.236 4.407 4.170 0.001 0.000 0.288 273 I C -1.752 174.368 176.117 0.004 0.000 1.202 273 I CA -0.462 60.932 61.300 0.156 0.000 1.050 273 I CB 1.417 39.255 38.000 -0.270 0.000 1.264 273 I HN 0.714 nan 8.210 nan 0.000 0.429 274 Q N 8.179 127.670 119.800 -0.514 0.000 2.266 274 Q HA 0.702 5.043 4.340 0.001 0.000 0.261 274 Q C -1.074 174.772 176.000 -0.256 0.000 0.985 274 Q CA -0.869 54.617 55.803 -0.529 0.000 0.873 274 Q CB 2.812 30.823 28.738 -1.211 0.000 1.306 274 Q HN 0.613 nan 8.270 nan 0.000 0.447 275 I N -0.559 120.057 120.570 0.075 0.000 2.533 275 I HA 0.440 4.610 4.170 0.001 0.000 0.290 275 I C -1.561 174.852 176.117 0.493 0.000 1.056 275 I CA -0.904 60.519 61.300 0.205 0.000 1.057 275 I CB 1.648 39.538 38.000 -0.184 0.000 1.240 275 I HN 0.878 nan 8.210 nan 0.000 0.423 276 H N 4.175 123.532 119.070 0.479 0.000 2.705 276 H HA 0.359 4.916 4.556 0.001 0.000 0.291 276 H C -0.281 175.125 175.328 0.131 0.000 1.085 276 H CA 0.007 56.188 56.048 0.221 0.000 1.357 276 H CB 0.713 30.299 29.762 -0.293 0.000 1.419 276 H HN 0.751 nan 8.280 nan 0.000 0.462 277 E N 3.950 123.983 120.200 -0.278 0.000 2.406 277 E HA 0.233 4.584 4.350 0.001 0.000 0.258 277 E C -0.683 175.513 176.600 -0.674 0.000 1.043 277 E CA -0.003 56.195 56.400 -0.336 0.000 0.929 277 E CB 0.130 29.703 29.700 -0.210 0.000 0.969 277 E HN 0.704 nan 8.360 nan 0.000 0.462 278 A N 4.204 126.795 122.820 -0.381 0.000 2.354 278 A HA 0.479 4.800 4.320 0.001 0.000 0.269 278 A C -0.109 177.417 177.584 -0.097 0.000 1.109 278 A CA -0.141 51.782 52.037 -0.189 0.000 0.800 278 A CB 0.966 19.948 19.000 -0.030 0.000 1.045 278 A HN 0.550 nan 8.150 nan 0.000 0.489 279 S N 1.729 117.432 115.700 0.006 0.000 2.549 279 S HA 0.664 5.134 4.470 0.001 0.000 0.280 279 S C -2.212 172.419 174.600 0.053 0.000 1.109 279 S CA -1.242 56.966 58.200 0.014 0.000 0.905 279 S CB 1.614 64.814 63.200 -0.001 0.000 1.081 279 S HN 0.461 nan 8.310 nan 0.000 0.477 280 P HA -0.011 nan 4.420 nan 0.000 0.227 280 P C -0.084 177.234 177.300 0.029 0.000 1.145 280 P CA 0.928 64.049 63.100 0.036 0.000 0.769 280 P CB -0.026 31.688 31.700 0.023 0.000 0.769 281 D N -0.690 119.727 120.400 0.029 0.000 2.340 281 D HA 0.048 4.689 4.640 0.001 0.000 0.217 281 D C -0.005 176.300 176.300 0.009 0.000 1.081 281 D CA 0.244 54.255 54.000 0.018 0.000 0.842 281 D CB -0.068 40.741 40.800 0.016 0.000 0.934 281 D HN 0.123 nan 8.370 nan 0.000 0.511 282 D N 0.530 120.942 120.400 0.019 0.000 2.225 282 D HA 0.168 4.808 4.640 0.001 0.000 0.248 282 D C 0.656 176.897 176.300 -0.098 0.000 1.096 282 D CA 0.024 54.008 54.000 -0.026 0.000 0.863 282 D CB 1.468 42.299 40.800 0.052 0.000 1.156 282 D HN -0.003 nan 8.370 nan 0.000 0.450 283 T N -2.007 112.443 114.554 -0.173 0.000 2.943 283 T HA 0.507 4.857 4.350 0.001 0.000 0.284 283 T C 1.271 175.749 174.700 -0.370 0.000 1.015 283 T CA -0.882 61.104 62.100 -0.190 0.000 1.042 283 T CB 1.685 70.475 68.868 -0.130 0.000 1.055 283 T HN 0.228 nan 8.240 nan 0.000 0.500 284 A N 1.061 123.687 122.820 -0.324 0.000 2.234 284 A HA -0.028 4.293 4.320 0.001 0.000 0.216 284 A C 2.235 179.601 177.584 -0.363 0.000 1.167 284 A CA 1.693 53.447 52.037 -0.471 0.000 0.698 284 A CB -1.720 17.185 19.000 -0.158 0.000 0.779 284 A HN 0.947 nan 8.150 nan 0.000 0.475 285 T N 1.025 115.431 114.554 -0.246 0.000 2.680 285 T HA -0.252 4.098 4.350 0.001 0.000 0.268 285 T C 1.582 176.074 174.700 -0.345 0.000 1.033 285 T CA 2.013 63.994 62.100 -0.199 0.000 1.152 285 T CB -0.640 68.083 68.868 -0.241 0.000 0.859 285 T HN 0.658 nan 8.240 nan 0.000 0.452 286 I N -0.090 120.097 120.570 -0.637 0.000 2.700 286 I HA -0.073 4.097 4.170 0.001 0.000 0.261 286 I C 1.379 177.343 176.117 -0.255 0.000 1.219 286 I CA 1.287 62.160 61.300 -0.712 0.000 1.463 286 I CB -0.674 36.707 38.000 -1.032 0.000 1.092 286 I HN 0.254 nan 8.210 nan 0.000 0.452 287 F N -0.783 119.129 119.950 -0.064 0.000 2.693 287 F HA 0.185 4.712 4.527 0.001 0.000 0.303 287 F C 1.059 176.878 175.800 0.033 0.000 1.097 287 F CA -0.590 57.429 58.000 0.030 0.000 1.330 287 F CB -0.469 38.564 39.000 0.055 0.000 1.067 287 F HN 0.039 nan 8.300 nan 0.000 0.565 288 H N 0.669 119.671 119.070 -0.114 0.000 2.742 288 H HA 0.350 4.907 4.556 0.001 0.000 0.302 288 H C 0.972 176.163 175.328 -0.228 0.000 1.069 288 H CA -0.261 55.498 56.048 -0.481 0.000 1.446 288 H CB 1.400 30.672 29.762 -0.817 0.000 1.462 288 H HN 0.200 nan 8.280 nan 0.000 0.499 289 A N 3.418 126.302 122.820 0.107 0.000 2.235 289 A HA 0.051 4.372 4.320 0.001 0.000 0.208 289 A C 1.996 179.648 177.584 0.113 0.000 1.172 289 A CA 0.868 52.989 52.037 0.139 0.000 0.786 289 A CB -0.117 18.986 19.000 0.172 0.000 0.804 289 A HN 0.851 nan 8.150 nan 0.000 0.479 290 G N -1.009 107.841 108.800 0.085 0.000 2.939 290 G HA2 0.346 4.306 3.960 0.001 0.000 0.216 290 G HA3 0.346 4.306 3.960 0.001 0.000 0.216 290 G C 0.249 174.737 174.900 -0.687 0.000 1.125 290 G CA -0.010 44.882 45.100 -0.346 0.000 0.766 290 G HN 0.274 nan 8.290 nan 0.000 0.541 291 I N 2.805 123.000 120.570 -0.625 0.000 2.330 291 I HA 0.326 4.496 4.170 0.001 0.000 0.286 291 I C -0.069 175.950 176.117 -0.163 0.000 1.025 291 I CA -1.551 59.448 61.300 -0.503 0.000 1.197 291 I CB 0.896 38.498 38.000 -0.663 0.000 1.358 291 I HN -0.159 nan 8.210 nan 0.000 0.467 292 L N 4.799 125.966 121.223 -0.094 0.000 2.543 292 L HA -0.068 4.273 4.340 0.001 0.000 0.285 292 L C -0.210 176.731 176.870 0.118 0.000 1.236 292 L CA 0.572 55.407 54.840 -0.008 0.000 0.871 292 L CB 0.059 42.119 42.059 0.002 0.000 1.121 292 L HN 0.481 nan 8.230 nan 0.000 0.501 293 W N 2.768 123.946 121.300 -0.204 0.000 2.356 293 W HA 0.062 4.723 4.660 0.001 0.000 0.311 293 W C 0.784 177.213 176.519 -0.151 0.000 1.328 293 W CA -1.136 56.013 57.345 -0.327 0.000 1.251 293 W CB -0.519 28.595 29.460 -0.577 0.000 1.280 293 W HN 0.463 nan 8.180 nan 0.000 0.524 294 D N 3.646 124.124 120.400 0.130 0.000 3.465 294 D HA -0.170 4.470 4.640 0.001 0.000 0.252 294 D C 1.200 177.632 176.300 0.220 0.000 1.399 294 D CA 0.710 54.810 54.000 0.167 0.000 0.946 294 D CB 0.444 41.343 40.800 0.165 0.000 1.183 294 D HN 0.439 nan 8.370 nan 0.000 0.622 295 K N 2.621 123.119 120.400 0.163 0.000 2.173 295 K HA -0.217 4.103 4.320 0.001 0.000 0.207 295 K C 1.643 178.326 176.600 0.138 0.000 1.046 295 K CA 0.996 57.381 56.287 0.162 0.000 0.929 295 K CB 0.155 32.747 32.500 0.154 0.000 0.720 295 K HN 0.410 nan 8.250 nan 0.000 0.453 296 E N 0.098 120.366 120.200 0.113 0.000 2.051 296 E HA -0.132 4.218 4.350 0.001 0.000 0.192 296 E C 1.915 178.548 176.600 0.055 0.000 0.991 296 E CA 1.848 58.293 56.400 0.074 0.000 0.799 296 E CB -0.168 29.567 29.700 0.058 0.000 0.748 296 E HN 0.493 nan 8.360 nan 0.000 0.449 297 T N -2.051 112.547 114.554 0.072 0.000 3.145 297 T HA 0.097 4.448 4.350 0.001 0.000 0.255 297 T C 0.378 174.944 174.700 -0.222 0.000 1.039 297 T CA -0.276 61.800 62.100 -0.041 0.000 0.928 297 T CB -0.105 68.732 68.868 -0.052 0.000 1.029 297 T HN 0.040 nan 8.240 nan 0.000 0.554 298 H N 2.170 121.280 119.070 0.065 0.000 2.538 298 H HA 0.320 4.876 4.556 0.001 0.000 0.239 298 H C -2.933 172.349 175.328 -0.076 0.000 1.401 298 H CA -1.428 54.661 56.048 0.068 0.000 1.499 298 H CB 1.596 31.480 29.762 0.203 0.000 1.624 298 H HN 0.338 nan 8.280 nan 0.000 0.524 299 P HA 0.079 nan 4.420 nan 0.000 0.278 299 P C -0.274 176.921 177.300 -0.174 0.000 1.266 299 P CA -0.564 62.486 63.100 -0.082 0.000 0.807 299 P CB 1.424 33.046 31.700 -0.130 0.000 1.094 300 W N 0.290 121.560 121.300 -0.051 0.000 2.338 300 W HA 0.386 5.047 4.660 0.001 0.000 0.307 300 W C -0.175 176.277 176.519 -0.112 0.000 1.167 300 W CA -0.091 57.241 57.345 -0.021 0.000 1.208 300 W CB 0.304 29.768 29.460 0.006 0.000 1.228 300 W HN 0.148 nan 8.180 nan 0.000 0.499 301 F N 3.189 123.284 119.950 0.241 0.000 2.405 301 F HA 0.119 4.646 4.527 0.001 0.000 0.355 301 F C 0.928 176.867 175.800 0.232 0.000 1.121 301 F CA -0.537 57.597 58.000 0.223 0.000 1.112 301 F CB 0.544 39.687 39.000 0.238 0.000 1.126 301 F HN 0.133 nan 8.300 nan 0.000 0.481 302 D N 3.712 124.330 120.400 0.363 0.000 2.434 302 D HA -0.009 4.632 4.640 0.001 0.000 0.252 302 D C 0.635 177.177 176.300 0.403 0.000 1.185 302 D CA 0.572 54.743 54.000 0.286 0.000 0.886 302 D CB 1.321 42.245 40.800 0.206 0.000 1.148 302 D HN 0.491 nan 8.370 nan 0.000 0.483 303 L N 3.427 124.823 121.223 0.289 0.000 2.526 303 L HA 0.390 4.731 4.340 0.001 0.000 0.210 303 L C 0.148 177.198 176.870 0.299 0.000 1.048 303 L CA 0.785 55.788 54.840 0.271 0.000 0.852 303 L CB 0.234 42.240 42.059 -0.089 0.000 1.128 303 L HN 0.410 nan 8.230 nan 0.000 0.482 304 A N -0.538 122.424 122.820 0.237 0.000 2.567 304 A HA 0.620 4.941 4.320 0.001 0.000 0.289 304 A C -1.433 176.267 177.584 0.193 0.000 1.177 304 A CA -0.621 51.573 52.037 0.261 0.000 0.694 304 A CB 0.972 20.179 19.000 0.345 0.000 1.292 304 A HN -0.005 nan 8.150 nan 0.000 0.425 305 K N 0.988 121.503 120.400 0.191 0.000 2.545 305 K HA 0.589 4.909 4.320 0.001 0.000 0.252 305 K C -1.799 174.908 176.600 0.178 0.000 0.948 305 K CA -0.363 56.019 56.287 0.158 0.000 0.827 305 K CB 1.678 34.251 32.500 0.122 0.000 1.128 305 K HN 0.463 nan 8.250 nan 0.000 0.429 306 V N 2.739 122.779 119.914 0.210 0.000 2.383 306 V HA 0.256 4.376 4.120 0.001 0.000 0.275 306 V C -0.046 176.199 176.094 0.251 0.000 1.036 306 V CA -0.514 61.917 62.300 0.219 0.000 0.889 306 V CB 1.251 33.202 31.823 0.214 0.000 0.985 306 V HN 0.763 nan 8.190 nan 0.000 0.459 307 S N 5.772 121.572 115.700 0.167 0.000 2.478 307 S HA 0.726 5.197 4.470 0.001 0.000 0.312 307 S C -0.783 173.885 174.600 0.114 0.000 1.094 307 S CA -0.610 57.666 58.200 0.128 0.000 1.081 307 S CB 0.516 63.765 63.200 0.082 0.000 1.007 307 S HN 0.485 nan 8.310 nan 0.000 0.475 308 I N 6.053 126.695 120.570 0.120 0.000 2.436 308 I HA 0.458 4.629 4.170 0.001 0.000 0.289 308 I C 0.548 176.690 176.117 0.042 0.000 1.010 308 I CA -0.689 60.669 61.300 0.096 0.000 1.098 308 I CB 1.631 39.736 38.000 0.175 0.000 1.266 308 I HN 0.691 nan 8.210 nan 0.000 0.434 309 K N 3.244 123.658 120.400 0.024 0.000 3.934 309 K HA 0.210 4.531 4.320 0.001 0.000 0.239 309 K C 0.220 176.816 176.600 -0.006 0.000 1.230 309 K CA 0.045 56.332 56.287 0.001 0.000 1.588 309 K CB -1.016 31.486 32.500 0.005 0.000 2.333 309 K HN 0.516 nan 8.250 nan 0.000 0.482 310 T N 3.923 118.477 114.554 0.000 0.000 2.750 310 T HA 0.067 4.417 4.350 0.001 0.000 0.277 310 T C -2.243 172.459 174.700 0.004 0.000 0.996 310 T CA -1.062 61.038 62.100 -0.000 0.000 1.195 310 T CB -0.522 68.347 68.868 0.002 0.000 0.963 310 T HN 0.175 nan 8.240 nan 0.000 0.516 311 P HA 0.167 nan 4.420 nan 0.000 0.269 311 P C -0.391 176.921 177.300 0.021 0.000 1.209 311 P CA -0.801 62.309 63.100 0.018 0.000 0.776 311 P CB 0.571 32.279 31.700 0.014 0.000 0.876 312 L N 2.193 123.435 121.223 0.032 0.000 2.276 312 L HA 0.256 4.597 4.340 0.001 0.000 0.286 312 L C 0.759 177.640 176.870 0.018 0.000 1.061 312 L CA -0.245 54.604 54.840 0.016 0.000 0.807 312 L CB 0.412 42.475 42.059 0.007 0.000 1.177 312 L HN 0.372 nan 8.230 nan 0.000 0.429 313 S N 5.746 121.451 115.700 0.008 0.000 2.566 313 S HA 0.142 4.613 4.470 0.001 0.000 0.280 313 S C -1.445 173.160 174.600 0.009 0.000 1.343 313 S CA -0.669 57.536 58.200 0.009 0.000 1.036 313 S CB 0.624 63.825 63.200 0.002 0.000 0.866 313 S HN 0.607 nan 8.310 nan 0.000 0.526 314 P HA -0.140 nan 4.420 nan 0.000 0.212 314 P C 0.734 178.038 177.300 0.006 0.000 1.178 314 P CA 1.484 64.593 63.100 0.015 0.000 0.915 314 P CB -0.093 31.618 31.700 0.019 0.000 0.788 315 D N -1.324 119.077 120.400 0.002 0.000 2.336 315 D HA -0.014 4.627 4.640 0.001 0.000 0.229 315 D C 1.183 177.476 176.300 -0.013 0.000 1.061 315 D CA 0.511 54.508 54.000 -0.004 0.000 0.875 315 D CB -0.064 40.734 40.800 -0.003 0.000 0.904 315 D HN 0.126 nan 8.370 nan 0.000 0.525 316 V N 0.234 120.138 119.914 -0.016 0.000 3.307 316 V HA -0.025 4.096 4.120 0.001 0.000 0.244 316 V C 2.151 178.221 176.094 -0.041 0.000 1.196 316 V CA -0.009 62.273 62.300 -0.029 0.000 1.132 316 V CB 0.210 32.016 31.823 -0.027 0.000 0.875 316 V HN 0.082 nan 8.190 nan 0.000 0.468 317 L N 1.130 122.336 121.223 -0.030 0.000 2.027 317 L HA -0.098 4.243 4.340 0.001 0.000 0.206 317 L C 2.455 179.306 176.870 -0.032 0.000 1.074 317 L CA 2.442 57.263 54.840 -0.032 0.000 0.745 317 L CB -0.442 41.608 42.059 -0.015 0.000 0.898 317 L HN 0.384 nan 8.230 nan 0.000 0.433 318 E N 1.025 121.214 120.200 -0.019 0.000 2.130 318 E HA -0.300 4.050 4.350 0.001 0.000 0.196 318 E C 1.945 178.531 176.600 -0.024 0.000 0.998 318 E CA 2.225 58.617 56.400 -0.012 0.000 0.806 318 E CB -0.376 29.323 29.700 -0.001 0.000 0.738 318 E HN 0.737 nan 8.360 nan 0.000 0.459 319 K N -0.587 119.790 120.400 -0.037 0.000 2.444 319 K HA 0.093 4.414 4.320 0.001 0.000 0.193 319 K C 0.156 176.707 176.600 -0.083 0.000 1.024 319 K CA 0.321 56.579 56.287 -0.048 0.000 1.077 319 K CB -0.049 32.426 32.500 -0.042 0.000 0.833 319 K HN -0.103 nan 8.250 nan 0.000 0.517 320 T N 1.601 116.087 114.554 -0.114 0.000 2.802 320 T HA 0.316 4.667 4.350 0.001 0.000 0.305 320 T C -0.029 174.534 174.700 -0.229 0.000 1.053 320 T CA 0.001 61.969 62.100 -0.220 0.000 1.058 320 T CB 1.240 69.932 68.868 -0.293 0.000 0.988 320 T HN 0.364 nan 8.240 nan 0.000 0.539 321 A N 1.887 124.492 122.820 -0.358 0.000 2.768 321 A HA 0.577 4.898 4.320 0.001 0.000 0.298 321 A C -0.720 176.702 177.584 -0.270 0.000 1.159 321 A CA -0.789 51.115 52.037 -0.222 0.000 0.783 321 A CB 0.147 19.084 19.000 -0.105 0.000 1.333 321 A HN 0.616 nan 8.150 nan 0.000 0.412 322 F N 1.908 121.821 119.950 -0.062 0.000 2.418 322 F HA 0.583 5.110 4.527 0.001 0.000 0.341 322 F C 0.874 176.716 175.800 0.071 0.000 1.120 322 F CA 0.259 58.236 58.000 -0.039 0.000 1.232 322 F CB 1.001 39.944 39.000 -0.095 0.000 1.175 322 F HN 0.580 nan 8.300 nan 0.000 0.569 323 N N 2.271 121.126 118.700 0.258 0.000 2.600 323 N HA 0.149 4.890 4.740 0.001 0.000 0.272 323 N C 0.151 175.715 175.510 0.090 0.000 1.095 323 N CA -0.574 52.622 53.050 0.244 0.000 0.993 323 N CB 0.938 39.547 38.487 0.203 0.000 1.603 323 N HN 0.562 nan 8.380 nan 0.000 0.526 324 I N 0.857 121.415 120.570 -0.021 0.000 2.700 324 I HA -0.008 4.163 4.170 0.001 0.000 0.261 324 I C 1.800 177.905 176.117 -0.020 0.000 1.219 324 I CA 1.279 62.562 61.300 -0.029 0.000 1.463 324 I CB -0.235 37.713 38.000 -0.086 0.000 1.092 324 I HN 0.437 nan 8.210 nan 0.000 0.452 325 A N 1.619 124.422 122.820 -0.029 0.000 1.972 325 A HA -0.106 4.215 4.320 0.001 0.000 0.219 325 A C 1.303 178.886 177.584 -0.001 0.000 1.169 325 A CA 1.112 53.143 52.037 -0.011 0.000 0.635 325 A CB -0.755 18.246 19.000 0.003 0.000 0.810 325 A HN 0.533 nan 8.150 nan 0.000 0.446 326 N N 2.084 120.790 118.700 0.010 0.000 2.543 326 N HA 0.068 4.809 4.740 0.001 0.000 0.289 326 N C -0.585 174.916 175.510 -0.015 0.000 1.223 326 N CA 0.573 53.624 53.050 0.002 0.000 1.080 326 N CB 0.114 38.609 38.487 0.013 0.000 1.450 326 N HN 0.531 nan 8.380 nan 0.000 0.501 327 Q N 1.394 121.169 119.800 -0.043 0.000 2.394 327 Q HA 0.504 4.845 4.340 0.001 0.000 0.273 327 Q C -2.315 173.596 176.000 -0.148 0.000 1.089 327 Q CA -1.473 54.273 55.803 -0.095 0.000 0.812 327 Q CB 2.981 31.693 28.738 -0.044 0.000 1.353 327 Q HN 0.293 nan 8.270 nan 0.000 0.438 328 P HA 0.250 nan 4.420 nan 0.000 0.281 328 P C -0.199 176.991 177.300 -0.184 0.000 1.281 328 P CA -0.212 62.730 63.100 -0.263 0.000 0.811 328 P CB 0.746 32.130 31.700 -0.526 0.000 1.154 329 A N 0.659 123.407 122.820 -0.120 0.000 2.015 329 A HA -0.118 4.203 4.320 0.001 0.000 0.219 329 A C 1.927 179.455 177.584 -0.094 0.000 1.163 329 A CA 1.919 53.906 52.037 -0.084 0.000 0.646 329 A CB -1.564 17.401 19.000 -0.059 0.000 0.806 329 A HN 0.623 nan 8.150 nan 0.000 0.448 330 S N -1.294 114.328 115.700 -0.130 0.000 2.603 330 S HA 0.360 4.831 4.470 0.001 0.000 0.220 330 S C 0.929 175.516 174.600 -0.022 0.000 0.967 330 S CA 0.264 58.371 58.200 -0.153 0.000 0.920 330 S CB -0.294 62.701 63.200 -0.342 0.000 0.773 330 S HN 0.420 nan 8.310 nan 0.000 0.529 331 L N -0.108 121.102 121.223 -0.021 0.000 2.801 331 L HA 0.764 5.105 4.340 0.001 0.000 0.221 331 L C 1.042 177.935 176.870 0.037 0.000 1.895 331 L CA -0.273 54.604 54.840 0.063 0.000 2.760 331 L CB -0.265 41.846 42.059 0.087 0.000 2.629 331 L HN 0.418 nan 8.230 nan 0.000 0.670 332 G N -0.358 108.470 108.800 0.047 0.000 2.362 332 G HA2 0.024 3.984 3.960 0.001 0.000 0.517 332 G HA3 0.024 3.984 3.960 0.001 0.000 0.517 332 G C -1.635 173.302 174.900 0.062 0.000 1.256 332 G CA -0.810 44.310 45.100 0.033 0.000 1.027 332 G HN 0.322 nan 8.290 nan 0.000 0.491 333 L N -0.282 120.964 121.223 0.038 0.000 2.303 333 L HA 0.715 5.055 4.340 0.001 0.000 0.266 333 L C 0.670 177.551 176.870 0.018 0.000 1.011 333 L CA -1.090 53.770 54.840 0.033 0.000 0.818 333 L CB 1.526 43.590 42.059 0.010 0.000 1.326 333 L HN 0.534 nan 8.230 nan 0.000 0.435 334 L N 0.436 121.654 121.223 -0.007 0.000 2.456 334 L HA 0.317 4.657 4.340 0.001 0.000 0.257 334 L C 0.262 177.100 176.870 -0.052 0.000 1.162 334 L CA -0.480 54.329 54.840 -0.051 0.000 0.808 334 L CB 0.825 42.781 42.059 -0.171 0.000 1.136 334 L HN 0.573 nan 8.230 nan 0.000 0.466 335 E N 0.845 121.012 120.200 -0.054 0.000 2.249 335 E HA 0.422 4.773 4.350 0.001 0.000 0.280 335 E C -0.736 175.839 176.600 -0.040 0.000 1.016 335 E CA -0.599 55.780 56.400 -0.035 0.000 0.830 335 E CB 1.870 31.558 29.700 -0.019 0.000 1.081 335 E HN 0.596 nan 8.360 nan 0.000 0.395 336 A N 3.190 125.997 122.820 -0.022 0.000 2.274 336 A HA 0.210 4.531 4.320 0.001 0.000 0.309 336 A C 0.579 178.163 177.584 -0.001 0.000 1.226 336 A CA -0.387 51.644 52.037 -0.010 0.000 0.853 336 A CB 0.557 19.556 19.000 -0.001 0.000 1.146 336 A HN 0.627 nan 8.150 nan 0.000 0.518 337 K N 0.788 121.189 120.400 0.003 0.000 2.308 337 K HA 0.112 4.433 4.320 0.001 0.000 0.197 337 K C 0.180 176.788 176.600 0.013 0.000 1.049 337 K CA 1.135 57.425 56.287 0.005 0.000 0.991 337 K CB 0.229 32.732 32.500 0.005 0.000 0.836 337 K HN 0.825 nan 8.250 nan 0.000 0.500 338 S N -0.684 115.028 115.700 0.020 0.000 2.547 338 S HA 0.249 4.720 4.470 0.001 0.000 0.270 338 S C -2.623 172.002 174.600 0.041 0.000 1.150 338 S CA -1.225 56.994 58.200 0.032 0.000 0.850 338 S CB 2.082 65.300 63.200 0.031 0.000 1.118 338 S HN -0.235 nan 8.310 nan 0.000 0.461 339 P HA -0.023 nan 4.420 nan 0.000 0.225 339 P C 0.594 177.942 177.300 0.080 0.000 1.148 339 P CA 1.119 64.255 63.100 0.060 0.000 0.779 339 P CB 0.064 31.811 31.700 0.078 0.000 0.780 340 E N -0.098 120.150 120.200 0.079 0.000 2.170 340 E HA -0.053 4.298 4.350 0.001 0.000 0.191 340 E C 0.959 177.603 176.600 0.074 0.000 0.981 340 E CA 0.235 56.693 56.400 0.097 0.000 0.830 340 E CB -0.698 29.044 29.700 0.069 0.000 0.775 340 E HN 0.213 nan 8.360 nan 0.000 0.470 341 D N 0.175 120.591 120.400 0.026 0.000 2.520 341 D HA -0.135 4.506 4.640 0.001 0.000 0.243 341 D C 0.203 176.577 176.300 0.122 0.000 1.160 341 D CA 0.416 54.412 54.000 -0.005 0.000 0.877 341 D CB 0.295 41.100 40.800 0.010 0.000 1.150 341 D HN 0.286 nan 8.370 nan 0.000 0.494 342 Y N 2.471 122.836 120.300 0.109 0.000 2.446 342 Y HA -0.222 4.328 4.550 0.001 0.000 0.287 342 Y C 1.798 177.758 175.900 0.100 0.000 1.159 342 Y CA 0.128 58.298 58.100 0.117 0.000 1.297 342 Y CB 0.079 38.612 38.460 0.122 0.000 0.974 342 Y HN 0.404 nan 8.280 nan 0.000 0.557 343 N N -0.363 118.445 118.700 0.179 0.000 2.398 343 N HA -0.075 4.665 4.740 0.001 0.000 0.188 343 N C 1.682 177.219 175.510 0.044 0.000 1.122 343 N CA 0.918 53.998 53.050 0.049 0.000 0.866 343 N CB -0.106 38.333 38.487 -0.081 0.000 0.970 343 N HN 0.347 nan 8.380 nan 0.000 0.462 344 S N 0.591 116.334 115.700 0.071 0.000 2.419 344 S HA -0.069 4.402 4.470 0.001 0.000 0.233 344 S C 1.880 176.482 174.600 0.003 0.000 1.016 344 S CA 0.422 58.640 58.200 0.030 0.000 0.974 344 S CB -0.135 63.087 63.200 0.037 0.000 0.786 344 S HN 0.087 nan 8.310 nan 0.000 0.492 345 I N 3.036 123.635 120.570 0.048 0.000 2.208 345 I HA -0.104 4.067 4.170 0.001 0.000 0.245 345 I C 2.703 178.823 176.117 0.005 0.000 1.097 345 I CA 1.251 62.578 61.300 0.045 0.000 1.363 345 I CB -2.187 35.917 38.000 0.173 0.000 1.051 345 I HN 0.439 nan 8.210 nan 0.000 0.413 346 G N 0.502 109.306 108.800 0.006 0.000 2.604 346 G HA2 -0.234 3.727 3.960 0.001 0.000 0.216 346 G HA3 -0.234 3.727 3.960 0.001 0.000 0.216 346 G C 1.435 176.297 174.900 -0.064 0.000 1.265 346 G CA 0.446 45.526 45.100 -0.034 0.000 0.804 346 G HN 0.416 nan 8.290 nan 0.000 0.579 347 E N 0.095 120.271 120.200 -0.040 0.000 2.284 347 E HA -0.122 4.229 4.350 0.001 0.000 0.200 347 E C 2.500 179.075 176.600 -0.042 0.000 1.008 347 E CA 0.457 56.837 56.400 -0.034 0.000 0.829 347 E CB -0.138 29.552 29.700 -0.017 0.000 0.744 347 E HN 0.415 nan 8.360 nan 0.000 0.491 348 L N -0.016 121.165 121.223 -0.070 0.000 2.022 348 L HA -0.125 4.216 4.340 0.001 0.000 0.204 348 L C 2.566 179.397 176.870 -0.064 0.000 1.076 348 L CA 0.916 55.700 54.840 -0.094 0.000 0.749 348 L CB -0.324 41.611 42.059 -0.207 0.000 0.903 348 L HN -0.016 nan 8.230 nan 0.000 0.439 349 R N -0.411 120.018 120.500 -0.119 0.000 2.136 349 R HA -0.251 4.090 4.340 0.001 0.000 0.242 349 R C 2.141 178.286 176.300 -0.258 0.000 1.131 349 R CA 1.937 57.880 56.100 -0.263 0.000 0.937 349 R CB -1.188 28.767 30.300 -0.574 0.000 0.863 349 R HN 0.154 nan 8.270 nan 0.000 0.435 350 V N 0.734 120.521 119.914 -0.212 0.000 2.242 350 V HA -0.396 3.725 4.120 0.001 0.000 0.257 350 V C 2.401 178.529 176.094 0.057 0.000 1.073 350 V CA 2.382 64.635 62.300 -0.077 0.000 1.058 350 V CB -0.734 31.064 31.823 -0.042 0.000 0.664 350 V HN 0.624 nan 8.190 nan 0.000 0.451 351 A N -0.582 122.284 122.820 0.075 0.000 1.872 351 A HA -0.077 4.244 4.320 0.001 0.000 0.214 351 A C 1.980 179.694 177.584 0.216 0.000 1.187 351 A CA 1.681 53.802 52.037 0.139 0.000 0.614 351 A CB -0.543 18.517 19.000 0.099 0.000 0.826 351 A HN 0.716 nan 8.150 nan 0.000 0.442 352 V N -3.072 116.968 119.914 0.210 0.000 3.541 352 V HA -0.029 4.092 4.120 0.001 0.000 0.272 352 V C 1.609 177.905 176.094 0.337 0.000 1.215 352 V CA 0.922 63.381 62.300 0.265 0.000 1.176 352 V CB -1.661 30.314 31.823 0.254 0.000 0.854 352 V HN 0.498 nan 8.190 nan 0.000 0.496 353 Y N 0.561 120.903 120.300 0.070 0.000 2.472 353 Y HA 0.145 4.696 4.550 0.001 0.000 0.288 353 Y C 2.739 178.703 175.900 0.107 0.000 1.154 353 Y CA 0.927 59.058 58.100 0.052 0.000 1.238 353 Y CB -0.799 37.676 38.460 0.024 0.000 1.287 353 Y HN 0.087 nan 8.280 nan 0.000 0.524 354 T N 1.002 115.737 114.554 0.302 0.000 2.665 354 T HA -0.245 4.106 4.350 0.001 0.000 0.268 354 T C 1.685 176.560 174.700 0.291 0.000 1.035 354 T CA 1.954 64.198 62.100 0.240 0.000 1.151 354 T CB -0.473 68.515 68.868 0.200 0.000 0.862 354 T HN 0.525 nan 8.240 nan 0.000 0.438 355 W N 2.377 123.770 121.300 0.155 0.000 2.380 355 W HA -0.181 4.480 4.660 0.001 0.000 0.317 355 W C 2.261 178.833 176.519 0.089 0.000 1.196 355 W CA 1.852 59.292 57.345 0.157 0.000 1.307 355 W CB -1.000 28.541 29.460 0.135 0.000 1.157 355 W HN 0.218 nan 8.180 nan 0.000 0.483 356 V N 0.565 120.720 119.914 0.402 0.000 2.324 356 V HA -0.335 3.785 4.120 0.001 0.000 0.250 356 V C 2.272 178.390 176.094 0.039 0.000 1.060 356 V CA 2.426 64.842 62.300 0.193 0.000 1.042 356 V CB -1.324 30.560 31.823 0.103 0.000 0.650 356 V HN 0.310 nan 8.190 nan 0.000 0.450 357 Q N 0.402 120.236 119.800 0.057 0.000 2.020 357 Q HA -0.259 4.081 4.340 0.001 0.000 0.202 357 Q C 2.359 178.382 176.000 0.039 0.000 0.982 357 Q CA 2.102 57.925 55.803 0.033 0.000 0.838 357 Q CB -0.554 28.212 28.738 0.047 0.000 0.899 357 Q HN 0.944 nan 8.270 nan 0.000 0.423 358 H N 0.533 119.578 119.070 -0.041 0.000 2.489 358 H HA -0.104 4.453 4.556 0.001 0.000 0.295 358 H C 1.662 176.920 175.328 -0.117 0.000 1.082 358 H CA 0.929 56.923 56.048 -0.089 0.000 1.295 358 H CB -0.086 29.605 29.762 -0.118 0.000 1.380 358 H HN 0.113 nan 8.280 nan 0.000 0.548 359 L N 0.469 121.461 121.223 -0.385 0.000 2.072 359 L HA -0.012 4.328 4.340 0.001 0.000 0.205 359 L C 2.331 179.237 176.870 0.060 0.000 1.079 359 L CA 1.526 56.194 54.840 -0.287 0.000 0.752 359 L CB -0.754 41.197 42.059 -0.180 0.000 0.906 359 L HN 0.363 nan 8.230 nan 0.000 0.436 360 R N -0.310 120.251 120.500 0.100 0.000 2.075 360 R HA -0.200 4.141 4.340 0.001 0.000 0.232 360 R C 2.172 178.492 176.300 0.033 0.000 1.126 360 R CA 1.269 57.468 56.100 0.166 0.000 0.963 360 R CB -0.219 30.138 30.300 0.096 0.000 0.858 360 R HN 0.254 nan 8.270 nan 0.000 0.435 361 K N 1.137 121.540 120.400 0.004 0.000 2.059 361 K HA -0.191 4.129 4.320 0.001 0.000 0.212 361 K C 2.029 178.602 176.600 -0.045 0.000 1.050 361 K CA 1.474 57.755 56.287 -0.009 0.000 0.927 361 K CB -0.162 32.356 32.500 0.030 0.000 0.714 361 K HN 0.140 nan 8.250 nan 0.000 0.447 362 L N 0.460 121.639 121.223 -0.074 0.000 2.079 362 L HA -0.161 4.180 4.340 0.001 0.000 0.210 362 L C 1.224 177.974 176.870 -0.201 0.000 1.081 362 L CA 1.068 55.837 54.840 -0.118 0.000 0.752 362 L CB -0.259 41.715 42.059 -0.141 0.000 0.896 362 L HN 0.062 nan 8.230 nan 0.000 0.433 363 K N 0.768 120.986 120.400 -0.302 0.000 3.141 363 K HA 0.102 4.423 4.320 0.001 0.000 0.248 363 K C 0.995 177.494 176.600 -0.169 0.000 1.282 363 K CA -0.085 55.981 56.287 -0.367 0.000 1.251 363 K CB 0.254 32.264 32.500 -0.816 0.000 1.533 363 K HN 0.065 nan 8.250 nan 0.000 0.409 364 I N 0.737 121.240 120.570 -0.112 0.000 3.010 364 I HA -0.160 4.011 4.170 0.001 0.000 0.271 364 I C 1.081 177.158 176.117 -0.067 0.000 1.293 364 I CA 1.149 62.408 61.300 -0.068 0.000 1.452 364 I CB -0.221 37.747 38.000 -0.053 0.000 1.082 364 I HN 0.686 nan 8.210 nan 0.000 0.484 365 G N 0.072 108.815 108.800 -0.095 0.000 2.141 365 G HA2 -0.231 3.729 3.960 0.001 0.000 0.242 365 G HA3 -0.231 3.729 3.960 0.001 0.000 0.242 365 G C 0.359 175.224 174.900 -0.058 0.000 0.982 365 G CA 0.462 45.516 45.100 -0.077 0.000 0.662 365 G HN 0.958 nan 8.290 nan 0.000 0.527 366 S N -1.863 113.801 115.700 -0.060 0.000 2.683 366 S HA 0.947 5.418 4.470 0.001 0.000 0.269 366 S C -0.749 173.827 174.600 -0.041 0.000 1.165 366 S CA 0.165 58.340 58.200 -0.043 0.000 0.840 366 S CB 2.426 65.606 63.200 -0.032 0.000 1.169 366 S HN 2.117 nan 8.310 nan 0.000 0.490 374 A N 1.007 123.789 122.820 -0.064 0.000 2.555 374 A HA 0.772 5.093 4.320 0.001 0.000 0.297 374 A C -1.180 176.380 177.584 -0.040 0.000 1.060 374 A CA -0.406 51.633 52.037 0.004 0.000 0.710 374 A CB 0.560 19.626 19.000 0.110 0.000 1.282 374 A HN 1.057 nan 8.150 nan 0.000 0.399 375 I N 1.815 122.431 120.570 0.077 0.000 2.395 375 I HA 0.301 4.472 4.170 0.001 0.000 0.289 375 I C -0.794 175.536 176.117 0.355 0.000 1.023 375 I CA -0.105 61.256 61.300 0.100 0.000 1.350 375 I CB 0.693 38.728 38.000 0.060 0.000 1.409 375 I HN 0.622 nan 8.210 nan 0.000 0.507 376 Y N 4.692 124.998 120.300 0.011 0.000 2.345 376 Y HA 0.338 4.889 4.550 0.001 0.000 0.331 376 Y C -0.004 175.916 175.900 0.034 0.000 0.959 376 Y CA -1.319 56.790 58.100 0.015 0.000 1.204 376 Y CB 1.342 39.800 38.460 -0.004 0.000 1.135 376 Y HN 0.540 nan 8.280 nan 0.000 0.477 377 N N 3.163 121.961 118.700 0.163 0.000 2.472 377 N HA 0.329 5.070 4.740 0.001 0.000 0.277 377 N C -0.963 174.623 175.510 0.126 0.000 1.081 377 N CA -0.198 52.929 53.050 0.128 0.000 0.973 377 N CB 2.335 40.871 38.487 0.082 0.000 1.105 377 N HN 0.299 nan 8.380 nan 0.000 0.470 378 V N 1.581 121.593 119.914 0.163 0.000 2.516 378 V HA 0.123 4.243 4.120 0.001 0.000 0.271 378 V C 0.226 176.455 176.094 0.225 0.000 0.992 378 V CA -0.819 61.573 62.300 0.153 0.000 0.857 378 V CB 1.412 33.292 31.823 0.095 0.000 1.047 378 V HN 0.531 nan 8.190 nan 0.000 0.455 379 E N 2.351 122.669 120.200 0.196 0.000 2.392 379 E HA 0.374 4.724 4.350 0.001 0.000 0.264 379 E C -1.088 175.633 176.600 0.202 0.000 1.024 379 E CA 0.171 56.698 56.400 0.213 0.000 0.903 379 E CB 1.873 31.682 29.700 0.183 0.000 0.963 379 E HN 0.444 nan 8.360 nan 0.000 0.432 380 V N 4.664 124.720 119.914 0.236 0.000 2.488 380 V HA 0.152 4.273 4.120 0.001 0.000 0.293 380 V C -0.184 176.008 176.094 0.164 0.000 1.027 380 V CA -0.691 61.721 62.300 0.188 0.000 0.862 380 V CB 1.660 33.642 31.823 0.266 0.000 1.008 380 V HN 0.619 nan 8.190 nan 0.000 0.428 381 E N 3.122 123.350 120.200 0.047 0.000 2.174 381 E HA 0.515 4.865 4.350 0.001 0.000 0.282 381 E C -0.588 175.939 176.600 -0.121 0.000 0.992 381 E CA -0.298 56.099 56.400 -0.003 0.000 0.803 381 E CB 1.263 30.942 29.700 -0.033 0.000 1.090 381 E HN 0.672 nan 8.360 nan 0.000 0.396 382 T N 2.580 117.120 114.554 -0.024 0.000 2.929 382 T HA 0.470 4.821 4.350 0.001 0.000 0.284 382 T C 0.287 174.929 174.700 -0.097 0.000 1.014 382 T CA -0.519 61.539 62.100 -0.070 0.000 1.051 382 T CB 1.582 70.574 68.868 0.206 0.000 1.028 382 T HN 0.585 nan 8.240 nan 0.000 0.485 383 G N 0.479 109.190 108.800 -0.149 0.000 2.634 383 G HA2 0.235 4.195 3.960 0.001 0.000 0.255 383 G HA3 0.235 4.195 3.960 0.001 0.000 0.255 383 G C 0.080 175.045 174.900 0.109 0.000 1.205 383 G CA -0.463 44.644 45.100 0.011 0.000 0.884 383 G HN 0.699 nan 8.290 nan 0.000 0.549 384 D N -1.079 119.396 120.400 0.125 0.000 2.213 384 D HA 0.003 4.644 4.640 0.001 0.000 0.205 384 D C 1.592 177.957 176.300 0.109 0.000 0.961 384 D CA 0.331 54.393 54.000 0.103 0.000 0.853 384 D CB 0.075 40.925 40.800 0.083 0.000 0.967 384 D HN 0.568 nan 8.370 nan 0.000 0.496 385 R N 1.626 122.192 120.500 0.111 0.000 2.640 385 R HA 0.052 4.393 4.340 0.001 0.000 0.270 385 R C -0.279 176.114 176.300 0.155 0.000 1.024 385 R CA -0.031 56.124 56.100 0.091 0.000 1.085 385 R CB 0.198 30.508 30.300 0.017 0.000 0.963 385 R HN 0.023 nan 8.270 nan 0.000 0.426 386 E N 1.858 122.157 120.200 0.166 0.000 2.568 386 E HA -0.161 4.190 4.350 0.001 0.000 0.262 386 E C -0.368 176.478 176.600 0.410 0.000 0.961 386 E CA 0.730 57.277 56.400 0.246 0.000 0.945 386 E CB 0.038 29.857 29.700 0.199 0.000 0.924 386 E HN 0.786 nan 8.360 nan 0.000 0.467 387 H N 0.079 119.267 119.070 0.196 0.000 4.089 387 H HA -0.227 4.330 4.556 0.001 0.000 0.142 387 H C 1.253 176.832 175.328 0.418 0.000 0.778 387 H CA 0.943 57.140 56.048 0.248 0.000 1.258 387 H CB -1.607 28.276 29.762 0.201 0.000 0.810 387 H HN 0.579 nan 8.280 nan 0.000 0.487 388 A N 1.405 124.538 122.820 0.522 0.000 2.194 388 A HA 0.135 4.456 4.320 0.001 0.000 0.220 388 A C 1.944 179.750 177.584 0.370 0.000 1.162 388 A CA 1.230 53.499 52.037 0.387 0.000 0.674 388 A CB -0.766 18.327 19.000 0.155 0.000 0.789 388 A HN 0.643 nan 8.150 nan 0.000 0.470 389 G N -1.238 107.709 108.800 0.245 0.000 2.491 389 G HA2 0.392 4.352 3.960 0.001 0.000 0.238 389 G HA3 0.392 4.352 3.960 0.001 0.000 0.238 389 G C -0.118 174.838 174.900 0.093 0.000 1.277 389 G CA 0.689 45.853 45.100 0.108 0.000 0.851 389 G HN 0.266 nan 8.290 nan 0.000 0.573 390 T N -0.328 114.198 114.554 -0.046 0.000 2.841 390 T HA 0.309 4.659 4.350 0.001 0.000 0.285 390 T C 0.457 175.055 174.700 -0.170 0.000 0.991 390 T CA -0.465 61.572 62.100 -0.105 0.000 0.966 390 T CB 1.772 70.451 68.868 -0.315 0.000 0.962 390 T HN 0.499 nan 8.240 nan 0.000 0.438 391 D N 3.639 123.972 120.400 -0.112 0.000 2.301 391 D HA 0.337 4.977 4.640 0.001 0.000 0.206 391 D C 1.011 177.273 176.300 -0.064 0.000 0.979 391 D CA 0.375 54.319 54.000 -0.093 0.000 0.874 391 D CB 0.188 40.944 40.800 -0.073 0.000 0.968 391 D HN 0.727 nan 8.370 nan 0.000 0.510 392 A N -0.072 122.695 122.820 -0.090 0.000 2.313 392 A HA 0.502 4.823 4.320 0.001 0.000 0.261 392 A C 0.720 178.224 177.584 -0.133 0.000 1.090 392 A CA -0.034 51.942 52.037 -0.102 0.000 0.807 392 A CB 0.095 19.032 19.000 -0.105 0.000 1.055 392 A HN 0.322 nan 8.150 nan 0.000 0.492 393 T N -1.036 113.440 114.554 -0.129 0.000 2.816 393 T HA 0.615 4.966 4.350 0.001 0.000 0.282 393 T C -0.040 174.548 174.700 -0.187 0.000 0.993 393 T CA -0.412 61.607 62.100 -0.136 0.000 0.994 393 T CB 0.439 69.248 68.868 -0.100 0.000 1.025 393 T HN 0.366 nan 8.240 nan 0.000 0.529 394 I N 1.376 121.845 120.570 -0.168 0.000 2.730 394 I HA 0.472 4.643 4.170 0.001 0.000 0.298 394 I C -0.042 176.048 176.117 -0.045 0.000 1.089 394 I CA -0.581 60.636 61.300 -0.138 0.000 1.041 394 I CB 2.168 40.030 38.000 -0.230 0.000 1.235 394 I HN 0.983 nan 8.210 nan 0.000 0.423 395 T N 3.938 118.525 114.554 0.056 0.000 2.893 395 T HA 0.690 5.041 4.350 0.001 0.000 0.291 395 T C -0.626 174.225 174.700 0.252 0.000 1.028 395 T CA -0.571 61.624 62.100 0.158 0.000 0.995 395 T CB 2.599 71.584 68.868 0.195 0.000 1.051 395 T HN 0.323 nan 8.240 nan 0.000 0.470 396 I N 1.559 122.246 120.570 0.195 0.000 2.382 396 I HA 0.442 4.612 4.170 0.001 0.000 0.286 396 I C -0.116 175.984 176.117 -0.028 0.000 1.002 396 I CA -0.923 60.429 61.300 0.087 0.000 1.135 396 I CB 1.161 39.158 38.000 -0.006 0.000 1.288 396 I HN 0.566 nan 8.210 nan 0.000 0.448 397 R N 7.909 128.297 120.500 -0.188 0.000 2.280 397 R HA 0.520 4.861 4.340 0.001 0.000 0.326 397 R C -1.099 175.019 176.300 -0.304 0.000 1.080 397 R CA -0.474 55.336 56.100 -0.483 0.000 1.002 397 R CB 0.304 30.020 30.300 -0.974 0.000 1.136 397 R HN 0.599 nan 8.270 nan 0.000 0.509 398 I N 3.621 124.068 120.570 -0.206 0.000 2.352 398 I HA 0.161 4.331 4.170 0.001 0.000 0.290 398 I C 0.008 176.025 176.117 -0.166 0.000 1.036 398 I CA -0.013 61.185 61.300 -0.171 0.000 1.336 398 I CB 1.795 39.779 38.000 -0.027 0.000 1.407 398 I HN 0.470 nan 8.210 nan 0.000 0.497 399 T N 4.445 118.888 114.554 -0.184 0.000 2.823 399 T HA 0.742 5.093 4.350 0.001 0.000 0.279 399 T C 0.176 174.801 174.700 -0.126 0.000 0.998 399 T CA -0.725 61.281 62.100 -0.157 0.000 0.994 399 T CB 1.928 70.714 68.868 -0.137 0.000 0.960 399 T HN 0.828 nan 8.240 nan 0.000 0.448 400 G N -0.021 108.705 108.800 -0.123 0.000 2.788 400 G HA2 0.607 4.567 3.960 0.001 0.000 0.293 400 G HA3 0.607 4.567 3.960 0.001 0.000 0.293 400 G C 0.655 175.513 174.900 -0.070 0.000 1.392 400 G CA -0.237 44.809 45.100 -0.089 0.000 0.810 400 G HN 0.715 nan 8.290 nan 0.000 0.508 401 A N -0.667 122.135 122.820 -0.031 0.000 2.070 401 A HA 0.083 4.403 4.320 0.001 0.000 0.220 401 A C 1.996 179.563 177.584 -0.029 0.000 1.159 401 A CA 1.795 53.824 52.037 -0.014 0.000 0.656 401 A CB -0.228 18.783 19.000 0.018 0.000 0.800 401 A HN 0.489 nan 8.150 nan 0.000 0.453 402 K N -1.896 118.475 120.400 -0.048 0.000 2.308 402 K HA 0.320 4.641 4.320 0.001 0.000 0.197 402 K C 1.014 177.496 176.600 -0.196 0.000 1.049 402 K CA 0.632 56.888 56.287 -0.052 0.000 0.991 402 K CB 0.427 32.944 32.500 0.029 0.000 0.836 402 K HN 0.489 nan 8.250 nan 0.000 0.500 403 G N 0.627 109.233 108.800 -0.324 0.000 2.441 403 G HA2 0.188 4.148 3.960 0.001 0.000 0.225 403 G HA3 0.188 4.148 3.960 0.001 0.000 0.225 403 G C -1.747 172.874 174.900 -0.466 0.000 1.200 403 G CA -0.830 43.955 45.100 -0.524 0.000 0.947 403 G HN 0.054 nan 8.290 nan 0.000 0.484 404 R N 0.087 120.243 120.500 -0.572 0.000 2.686 404 R HA 0.662 5.002 4.340 0.001 0.000 0.286 404 R C 0.008 176.129 176.300 -0.299 0.000 0.969 404 R CA 0.068 55.959 56.100 -0.347 0.000 0.898 404 R CB 1.820 31.972 30.300 -0.247 0.000 1.183 404 R HN 0.881 nan 8.270 nan 0.000 0.456 405 T N 0.001 114.451 114.554 -0.173 0.000 2.909 405 T HA 0.176 4.527 4.350 0.001 0.000 0.289 405 T C 0.104 174.739 174.700 -0.109 0.000 1.005 405 T CA -0.818 61.237 62.100 -0.075 0.000 1.084 405 T CB 1.175 70.006 68.868 -0.063 0.000 0.975 405 T HN 0.481 nan 8.240 nan 0.000 0.509 406 D N 1.081 121.466 120.400 -0.026 0.000 2.443 406 D HA 0.028 4.669 4.640 0.001 0.000 0.239 406 D C -0.225 176.063 176.300 -0.021 0.000 1.136 406 D CA 0.124 54.118 54.000 -0.010 0.000 0.879 406 D CB 0.232 41.055 40.800 0.038 0.000 1.195 406 D HN 0.605 nan 8.370 nan 0.000 0.443 407 Y N 2.391 122.681 120.300 -0.017 0.000 2.834 407 Y HA -0.077 4.474 4.550 0.001 0.000 0.355 407 Y C 0.543 176.437 175.900 -0.011 0.000 1.287 407 Y CA 0.055 58.147 58.100 -0.015 0.000 1.647 407 Y CB -0.038 38.418 38.460 -0.007 0.000 1.221 407 Y HN 0.086 nan 8.280 nan 0.000 0.519 408 L N 5.333 126.617 121.223 0.101 0.000 2.331 408 L HA 0.236 4.576 4.340 0.001 0.000 0.278 408 L C 0.406 177.313 176.870 0.061 0.000 1.106 408 L CA -0.531 54.341 54.840 0.052 0.000 0.824 408 L CB 0.768 42.828 42.059 0.002 0.000 1.142 408 L HN 0.483 nan 8.230 nan 0.000 0.443 409 K N 3.931 124.354 120.400 0.039 0.000 2.270 409 K HA 0.518 4.839 4.320 0.001 0.000 0.276 409 K C -0.839 175.753 176.600 -0.012 0.000 1.023 409 K CA -0.302 55.996 56.287 0.017 0.000 0.955 409 K CB 0.736 33.242 32.500 0.010 0.000 0.975 409 K HN 0.506 nan 8.250 nan 0.000 0.471 419 E N 1.119 121.397 120.200 0.130 0.000 2.433 419 E HA 0.694 5.045 4.350 0.001 0.000 0.264 419 E C -0.594 176.077 176.600 0.120 0.000 0.960 419 E CA -0.827 55.597 56.400 0.040 0.000 0.866 419 E CB 1.527 31.190 29.700 -0.061 0.000 1.615 419 E HN 0.285 nan 8.360 nan 0.000 0.442 420 A N 0.388 123.264 122.820 0.093 0.000 2.572 420 A HA 0.336 4.656 4.320 0.001 0.000 0.256 420 A C 1.210 178.854 177.584 0.099 0.000 1.041 420 A CA 1.010 53.110 52.037 0.105 0.000 0.790 420 A CB -1.657 17.396 19.000 0.088 0.000 0.947 420 A HN 1.490 nan 8.150 nan 0.000 0.518 421 G N 2.617 111.476 108.800 0.099 0.000 2.338 421 G HA2 -0.044 3.917 3.960 0.001 0.000 0.296 421 G HA3 -0.044 3.917 3.960 0.001 0.000 0.296 421 G C 0.232 175.185 174.900 0.088 0.000 1.040 421 G CA 0.603 45.751 45.100 0.080 0.000 1.004 421 G HN 2.229 nan 8.290 nan 0.000 0.509 422 S N -1.072 114.698 115.700 0.116 0.000 2.449 422 S HA 0.751 5.221 4.470 0.001 0.000 0.310 422 S C -0.281 174.402 174.600 0.139 0.000 1.096 422 S CA -0.954 57.323 58.200 0.129 0.000 1.095 422 S CB 2.427 65.727 63.200 0.166 0.000 1.007 422 S HN 0.424 nan 8.310 nan 0.000 0.474 423 K N 2.517 122.983 120.400 0.110 0.000 2.185 423 K HA 0.531 4.852 4.320 0.001 0.000 0.269 423 K C -0.336 176.321 176.600 0.094 0.000 0.987 423 K CA -0.516 55.841 56.287 0.117 0.000 0.865 423 K CB 1.001 33.562 32.500 0.101 0.000 1.090 423 K HN 0.824 nan 8.250 nan 0.000 0.450 424 E N 2.429 122.705 120.200 0.125 0.000 2.390 424 E HA 0.093 4.444 4.350 0.001 0.000 0.280 424 E C -1.449 175.184 176.600 0.054 0.000 0.992 424 E CA -0.954 55.453 56.400 0.011 0.000 0.790 424 E CB 1.508 31.122 29.700 -0.143 0.000 1.248 424 E HN 0.489 nan 8.360 nan 0.000 0.447 425 Q N 1.560 121.317 119.800 -0.071 0.000 2.290 425 Q HA 0.380 4.720 4.340 0.001 0.000 0.259 425 Q C -1.528 174.421 176.000 -0.084 0.000 0.941 425 Q CA -0.509 55.318 55.803 0.040 0.000 0.912 425 Q CB 0.684 29.438 28.738 0.026 0.000 1.244 425 Q HN 0.477 nan 8.270 nan 0.000 0.441 426 Y N 0.643 120.962 120.300 0.032 0.000 2.549 426 Y HA 0.435 4.985 4.550 0.001 0.000 0.339 426 Y C -0.073 175.848 175.900 0.035 0.000 1.053 426 Y CA -1.147 56.965 58.100 0.021 0.000 1.105 426 Y CB 2.312 40.785 38.460 0.022 0.000 1.258 426 Y HN 0.430 nan 8.280 nan 0.000 0.478 427 T N 2.058 116.727 114.554 0.191 0.000 3.317 427 T HA 0.453 4.804 4.350 0.001 0.000 0.361 427 T C -0.267 174.490 174.700 0.096 0.000 1.499 427 T CA -0.627 61.546 62.100 0.121 0.000 1.529 427 T CB -0.682 68.225 68.868 0.065 0.000 0.997 427 T HN 0.515 nan 8.240 nan 0.000 0.624 428 V N 1.034 121.013 119.914 0.107 0.000 3.403 428 V HA 0.821 4.942 4.120 0.001 0.000 0.305 428 V C -0.334 175.741 176.094 -0.032 0.000 1.060 428 V CA -1.029 61.295 62.300 0.040 0.000 1.053 428 V CB 1.055 32.900 31.823 0.036 0.000 1.198 428 V HN 0.832 nan 8.190 nan 0.000 0.447 429 Q N -0.216 119.512 119.800 -0.120 0.000 2.386 429 Q HA 0.823 5.163 4.340 0.001 0.000 0.274 429 Q C -0.655 175.188 176.000 -0.262 0.000 1.011 429 Q CA -0.331 55.332 55.803 -0.233 0.000 0.867 429 Q CB 1.952 30.613 28.738 -0.127 0.000 1.409 429 Q HN 1.575 nan 8.270 nan 0.000 0.395 430 G N 0.660 109.236 108.800 -0.373 0.000 2.342 430 G HA2 0.302 4.262 3.960 0.001 0.000 0.297 430 G HA3 0.302 4.262 3.960 0.001 0.000 0.297 430 G C -1.730 173.084 174.900 -0.143 0.000 1.313 430 G CA -1.157 43.810 45.100 -0.221 0.000 0.830 430 G HN 0.748 nan 8.290 nan 0.000 0.506 431 F N 1.444 121.291 119.950 -0.172 0.000 2.232 431 F HA -0.047 4.480 4.527 0.001 0.000 0.421 431 F C 0.892 176.645 175.800 -0.078 0.000 0.928 431 F CA 0.116 58.055 58.000 -0.102 0.000 1.008 431 F CB 0.332 39.290 39.000 -0.071 0.000 0.821 431 F HN 0.498 nan 8.300 nan 0.000 0.504 432 D N 5.838 126.469 120.400 0.386 0.000 2.451 432 D HA -0.000 4.640 4.640 0.001 0.000 0.254 432 D C 0.835 177.293 176.300 0.265 0.000 1.204 432 D CA 0.048 54.227 54.000 0.298 0.000 0.896 432 D CB 1.025 41.956 40.800 0.218 0.000 1.136 432 D HN 0.315 nan 8.370 nan 0.000 0.499 433 V N 2.177 122.205 119.914 0.190 0.000 3.596 433 V HA 0.419 4.540 4.120 0.001 0.000 0.289 433 V C 1.438 177.543 176.094 0.018 0.000 1.336 433 V CA 0.578 62.883 62.300 0.009 0.000 1.137 433 V CB -0.675 31.115 31.823 -0.055 0.000 0.966 433 V HN 0.790 nan 8.190 nan 0.000 0.428 434 G N 1.670 110.517 108.800 0.079 0.000 2.596 434 G HA2 -0.431 3.530 3.960 0.001 0.000 0.304 434 G HA3 -0.431 3.530 3.960 0.001 0.000 0.304 434 G C -0.032 174.894 174.900 0.044 0.000 1.189 434 G CA 0.763 45.906 45.100 0.072 0.000 0.986 434 G HN 0.882 nan 8.290 nan 0.000 0.548 435 D N 1.073 121.516 120.400 0.073 0.000 2.382 435 D HA 0.402 5.043 4.640 0.001 0.000 0.259 435 D C 0.662 176.963 176.300 0.002 0.000 1.224 435 D CA -0.245 53.840 54.000 0.142 0.000 0.894 435 D CB 0.047 40.941 40.800 0.156 0.000 1.127 435 D HN 0.457 nan 8.370 nan 0.000 0.487 436 I N 3.657 124.046 120.570 -0.302 0.000 2.471 436 I HA 0.028 4.198 4.170 0.001 0.000 0.286 436 I C 1.463 177.567 176.117 -0.023 0.000 1.079 436 I CA 0.392 61.411 61.300 -0.468 0.000 1.398 436 I CB 1.192 38.524 38.000 -1.114 0.000 1.403 436 I HN 0.485 nan 8.210 nan 0.000 0.530 437 Q N 6.891 126.717 119.800 0.042 0.000 2.353 437 Q HA 0.410 4.751 4.340 0.001 0.000 0.240 437 Q C -0.280 175.858 176.000 0.230 0.000 0.868 437 Q CA 0.203 56.089 55.803 0.139 0.000 0.944 437 Q CB 0.886 29.672 28.738 0.080 0.000 1.104 437 Q HN 0.704 nan 8.270 nan 0.000 0.531 438 L N -2.302 119.038 121.223 0.196 0.000 3.118 438 L HA 0.551 4.892 4.340 0.001 0.000 0.269 438 L C -1.693 175.070 176.870 -0.178 0.000 0.984 438 L CA -1.290 53.669 54.840 0.198 0.000 1.013 438 L CB 1.053 43.147 42.059 0.058 0.000 1.521 438 L HN -0.001 nan 8.230 nan 0.000 0.400 439 I N -2.187 118.150 120.570 -0.389 0.000 3.074 439 I HA 0.793 4.964 4.170 0.001 0.000 0.310 439 I C -1.414 174.505 176.117 -0.330 0.000 1.153 439 I CA -0.604 60.414 61.300 -0.470 0.000 0.993 439 I CB 2.511 40.054 38.000 -0.762 0.000 1.237 439 I HN 0.764 nan 8.210 nan 0.000 0.443 440 E N 3.525 123.583 120.200 -0.235 0.000 2.260 440 E HA 0.540 4.891 4.350 0.001 0.000 0.266 440 E C -1.343 175.268 176.600 0.018 0.000 0.887 440 E CA -0.710 55.626 56.400 -0.107 0.000 0.777 440 E CB 2.731 32.393 29.700 -0.062 0.000 1.205 440 E HN 0.446 nan 8.360 nan 0.000 0.414 441 L N 1.968 123.221 121.223 0.050 0.000 2.466 441 L HA 0.399 4.739 4.340 0.001 0.000 0.257 441 L C -0.161 176.880 176.870 0.284 0.000 1.189 441 L CA -0.380 54.559 54.840 0.164 0.000 0.813 441 L CB 0.355 42.501 42.059 0.146 0.000 1.118 441 L HN 0.610 nan 8.230 nan 0.000 0.471 442 H N 0.444 119.601 119.070 0.144 0.000 3.287 442 H HA 0.229 4.786 4.556 0.001 0.000 0.329 442 H C -0.678 174.669 175.328 0.031 0.000 1.130 442 H CA -0.407 55.671 56.048 0.050 0.000 1.593 442 H CB 1.180 30.878 29.762 -0.108 0.000 1.916 442 H HN 0.526 nan 8.280 nan 0.000 0.503 443 S N 1.698 117.309 115.700 -0.148 0.000 2.634 443 S HA 0.172 4.643 4.470 0.001 0.000 0.261 443 S C 0.834 175.143 174.600 -0.484 0.000 1.271 443 S CA 0.402 58.475 58.200 -0.211 0.000 0.985 443 S CB 0.676 63.877 63.200 0.001 0.000 0.968 443 S HN 0.854 nan 8.310 nan 0.000 0.568 444 D N -1.094 119.124 120.400 -0.304 0.000 2.449 444 D HA 0.224 4.865 4.640 0.001 0.000 0.255 444 D C 1.125 177.348 176.300 -0.130 0.000 1.121 444 D CA 0.911 54.750 54.000 -0.269 0.000 0.830 444 D CB -0.194 40.460 40.800 -0.243 0.000 1.280 444 D HN 0.942 nan 8.370 nan 0.000 0.522 445 G N 0.279 109.023 108.800 -0.094 0.000 2.349 445 G HA2 0.095 4.055 3.960 0.001 0.000 0.213 445 G HA3 0.095 4.055 3.960 0.001 0.000 0.213 445 G C 1.133 176.002 174.900 -0.050 0.000 1.044 445 G CA 0.690 45.757 45.100 -0.056 0.000 0.633 445 G HN 1.394 nan 8.290 nan 0.000 0.506 446 G N -0.736 108.029 108.800 -0.058 0.000 2.499 446 G HA2 0.497 4.458 3.960 0.001 0.000 0.232 446 G HA3 0.497 4.458 3.960 0.001 0.000 0.232 446 G C 0.947 175.825 174.900 -0.037 0.000 1.251 446 G CA 1.035 46.107 45.100 -0.048 0.000 0.917 446 G HN 2.619 nan 8.290 nan 0.000 0.580 451 G N 1.224 109.990 108.800 -0.056 0.000 2.798 451 G HA2 0.338 4.298 3.960 0.001 0.000 0.202 451 G HA3 0.338 4.298 3.960 0.001 0.000 0.202 451 G C -0.715 174.151 174.900 -0.057 0.000 1.149 451 G CA 0.275 45.338 45.100 -0.061 0.000 0.713 451 G HN 0.624 nan 8.290 nan 0.000 0.749 452 D N 0.019 120.379 120.400 -0.068 0.000 2.386 452 D HA 0.366 5.006 4.640 0.001 0.000 0.247 452 D C -1.933 174.376 176.300 0.013 0.000 1.336 452 D CA -1.524 52.461 54.000 -0.025 0.000 0.976 452 D CB 2.713 43.493 40.800 -0.035 0.000 1.257 452 D HN 0.042 nan 8.370 nan 0.000 0.570 453 P HA 0.110 nan 4.420 nan 0.000 0.239 453 P C -0.088 177.290 177.300 0.131 0.000 1.188 453 P CA -0.035 63.086 63.100 0.035 0.000 0.794 453 P CB 0.674 32.375 31.700 0.002 0.000 0.937 454 D N 0.195 120.704 120.400 0.181 0.000 2.419 454 D HA 0.043 4.683 4.640 0.001 0.000 0.236 454 D C -0.557 176.136 176.300 0.655 0.000 1.165 454 D CA 0.652 54.866 54.000 0.357 0.000 0.882 454 D CB 0.217 41.127 40.800 0.183 0.000 1.201 454 D HN 0.081 nan 8.370 nan 0.000 0.443 455 W N 3.141 124.745 121.300 0.506 0.000 2.756 455 W HA 0.331 4.992 4.660 0.001 0.000 0.333 455 W C -1.797 174.820 176.519 0.164 0.000 1.025 455 W CA -1.442 56.079 57.345 0.294 0.000 1.246 455 W CB 0.444 29.988 29.460 0.141 0.000 1.358 455 W HN 0.151 nan 8.180 nan 0.000 0.444 456 F N 7.531 127.247 119.950 -0.390 0.000 2.351 456 F HA 0.474 5.002 4.527 0.001 0.000 0.362 456 F C -0.468 174.882 175.800 -0.750 0.000 1.131 456 F CA -0.815 56.633 58.000 -0.921 0.000 1.187 456 F CB 0.198 38.240 39.000 -1.596 0.000 1.434 456 F HN -0.057 nan 8.300 nan 0.000 0.553 457 V N 7.153 126.340 119.914 -1.212 0.000 2.488 457 V HA 0.059 4.179 4.120 0.001 0.000 0.277 457 V C 1.078 176.441 176.094 -1.219 0.000 1.046 457 V CA 0.043 61.631 62.300 -1.188 0.000 0.986 457 V CB 0.940 32.073 31.823 -1.151 0.000 0.989 457 V HN 0.775 nan 8.190 nan 0.000 0.475 458 N N 3.437 121.499 118.700 -1.064 0.000 2.092 458 N HA 0.028 4.769 4.740 0.001 0.000 0.189 458 N C 0.611 175.494 175.510 -1.045 0.000 1.040 458 N CA 0.851 53.102 53.050 -1.332 0.000 0.845 458 N CB 0.216 38.155 38.487 -0.914 0.000 1.017 458 N HN 0.778 nan 8.380 nan 0.000 0.426 459 R N -1.120 119.044 120.500 -0.560 0.000 2.747 459 R HA 0.615 4.955 4.340 0.001 0.000 0.272 459 R C -1.967 174.251 176.300 -0.136 0.000 1.032 459 R CA -0.888 55.048 56.100 -0.273 0.000 0.896 459 R CB 1.365 31.589 30.300 -0.127 0.000 1.253 459 R HN -0.242 nan 8.270 nan 0.000 0.461 460 V N 1.232 121.151 119.914 0.008 0.000 2.841 460 V HA 0.566 4.686 4.120 0.001 0.000 0.310 460 V C -0.800 175.424 176.094 0.216 0.000 1.090 460 V CA -0.721 61.622 62.300 0.072 0.000 0.930 460 V CB 2.006 33.829 31.823 -0.000 0.000 1.014 460 V HN 0.648 nan 8.190 nan 0.000 0.425 461 I N 4.778 125.481 120.570 0.222 0.000 2.476 461 I HA 0.488 4.659 4.170 0.001 0.000 0.281 461 I C -0.525 175.745 176.117 0.253 0.000 1.040 461 I CA -0.209 61.266 61.300 0.291 0.000 1.094 461 I CB 1.517 39.706 38.000 0.316 0.000 1.219 461 I HN 0.387 nan 8.210 nan 0.000 0.450 462 I N 5.914 126.673 120.570 0.316 0.000 2.612 462 I HA 0.370 4.541 4.170 0.001 0.000 0.295 462 I C -0.191 176.073 176.117 0.245 0.000 1.011 462 I CA -0.567 60.859 61.300 0.210 0.000 1.326 462 I CB 1.358 39.416 38.000 0.098 0.000 1.427 462 I HN 0.380 nan 8.210 nan 0.000 0.537 463 I N 4.307 124.957 120.570 0.132 0.000 2.517 463 I HA 0.151 4.321 4.170 0.001 0.000 0.280 463 I C -0.188 175.954 176.117 0.042 0.000 1.061 463 I CA -0.113 61.269 61.300 0.137 0.000 1.091 463 I CB 1.292 39.343 38.000 0.085 0.000 1.205 463 I HN 0.433 nan 8.210 nan 0.000 0.459 464 S N 2.822 118.540 115.700 0.031 0.000 2.537 464 S HA 0.269 4.739 4.470 0.001 0.000 0.275 464 S C 1.302 175.942 174.600 0.066 0.000 1.272 464 S CA -0.237 57.922 58.200 -0.069 0.000 1.050 464 S CB 1.069 64.158 63.200 -0.185 0.000 0.961 464 S HN 0.598 nan 8.310 nan 0.000 0.496 465 S N 2.790 118.550 115.700 0.100 0.000 2.423 465 S HA -0.096 4.374 4.470 0.001 0.000 0.231 465 S C 2.048 176.681 174.600 0.056 0.000 1.014 465 S CA 1.513 59.744 58.200 0.053 0.000 0.965 465 S CB -0.382 62.855 63.200 0.062 0.000 0.785 465 S HN 0.965 nan 8.310 nan 0.000 0.495 466 T N -0.284 114.330 114.554 0.099 0.000 2.942 466 T HA 0.057 4.408 4.350 0.001 0.000 0.265 466 T C 0.664 175.424 174.700 0.101 0.000 1.062 466 T CA 0.534 62.691 62.100 0.095 0.000 1.139 466 T CB -0.048 68.889 68.868 0.116 0.000 0.883 466 T HN 0.166 nan 8.240 nan 0.000 0.468 467 Q N 1.737 121.616 119.800 0.131 0.000 2.312 467 Q HA 0.369 4.710 4.340 0.001 0.000 0.263 467 Q C -1.426 174.689 176.000 0.190 0.000 0.995 467 Q CA -0.500 55.399 55.803 0.160 0.000 0.853 467 Q CB 1.696 30.564 28.738 0.217 0.000 1.300 467 Q HN 0.244 nan 8.270 nan 0.000 0.448 468 D N 2.799 123.306 120.400 0.179 0.000 2.551 468 D HA 0.233 4.873 4.640 0.001 0.000 0.223 468 D C -0.249 176.118 176.300 0.112 0.000 1.144 468 D CA 0.331 54.485 54.000 0.257 0.000 1.025 468 D CB 0.138 41.054 40.800 0.194 0.000 1.085 468 D HN 0.198 nan 8.370 nan 0.000 0.506 469 R N -0.504 120.060 120.500 0.106 0.000 2.709 469 R HA 0.347 4.688 4.340 0.001 0.000 0.270 469 R C -1.116 175.124 176.300 -0.101 0.000 1.038 469 R CA -0.904 55.127 56.100 -0.116 0.000 0.872 469 R CB 1.459 31.555 30.300 -0.340 0.000 1.259 469 R HN 0.087 nan 8.270 nan 0.000 0.473 470 V N -0.682 119.136 119.914 -0.160 0.000 2.834 470 V HA 0.625 4.745 4.120 0.001 0.000 0.313 470 V C -1.169 174.769 176.094 -0.260 0.000 1.060 470 V CA -0.414 61.862 62.300 -0.040 0.000 0.989 470 V CB 1.374 33.271 31.823 0.124 0.000 1.041 470 V HN 0.684 nan 8.190 nan 0.000 0.459 471 Y N 1.705 122.062 120.300 0.095 0.000 2.686 471 Y HA 0.526 5.076 4.550 0.001 0.000 0.331 471 Y C 0.750 176.658 175.900 0.014 0.000 0.996 471 Y CA -0.372 57.747 58.100 0.032 0.000 1.293 471 Y CB 1.353 39.971 38.460 0.263 0.000 1.092 471 Y HN 0.751 nan 8.280 nan 0.000 0.524 472 S N 3.285 118.953 115.700 -0.053 0.000 2.533 472 S HA 0.278 4.748 4.470 0.001 0.000 0.282 472 S C -0.651 173.763 174.600 -0.311 0.000 1.304 472 S CA 0.071 58.247 58.200 -0.040 0.000 1.063 472 S CB 0.016 63.183 63.200 -0.055 0.000 0.881 472 S HN 0.432 nan 8.310 nan 0.000 0.493 473 F N 4.079 124.065 119.950 0.059 0.000 2.660 473 F HA 0.310 4.838 4.527 0.001 0.000 0.352 473 F C -2.206 173.587 175.800 -0.012 0.000 1.257 473 F CA -1.997 56.016 58.000 0.021 0.000 1.200 473 F CB 1.171 40.165 39.000 -0.010 0.000 1.473 473 F HN 0.324 nan 8.300 nan 0.000 0.561 474 P HA 0.127 nan 4.420 nan 0.000 0.272 474 P C -0.028 177.344 177.300 0.119 0.000 1.223 474 P CA 0.102 63.277 63.100 0.125 0.000 0.784 474 P CB 2.664 34.466 31.700 0.171 0.000 0.923 475 C N 1.737 121.104 119.300 0.112 0.000 3.310 475 C HA 0.330 4.791 4.460 0.001 0.000 0.137 475 C C -0.119 175.011 174.990 0.233 0.000 2.665 475 C CA 0.099 59.136 59.018 0.031 0.000 0.894 475 C CB -1.237 26.363 27.740 -0.235 0.000 1.354 475 C HN 0.514 nan 8.230 nan 0.000 0.683 476 F N 1.972 121.741 119.950 -0.302 0.000 3.074 476 F HA -0.085 4.442 4.527 0.001 0.000 0.287 476 F C 0.163 176.019 175.800 0.093 0.000 0.932 476 F CA 1.051 58.861 58.000 -0.317 0.000 0.995 476 F CB -1.746 37.243 39.000 -0.017 0.000 0.966 476 F HN 0.460 nan 8.300 nan 0.000 0.721 477 R N -1.613 118.946 120.500 0.099 0.000 2.698 477 R HA 0.420 4.761 4.340 0.001 0.000 0.275 477 R C -1.021 175.433 176.300 0.257 0.000 1.001 477 R CA -1.086 55.240 56.100 0.376 0.000 0.896 477 R CB 1.132 31.647 30.300 0.358 0.000 1.218 477 R HN 0.103 nan 8.270 nan 0.000 0.462 478 W N 1.810 123.336 121.300 0.377 0.000 2.264 478 W HA 0.118 4.779 4.660 0.002 0.000 0.331 478 W C 0.244 176.845 176.519 0.137 0.000 1.364 478 W CA -0.115 57.394 57.345 0.273 0.000 1.253 478 W CB 0.516 30.105 29.460 0.216 0.000 1.215 478 W HN 0.130 nan 8.180 nan 0.000 0.561 479 V N 7.191 127.297 119.914 0.320 0.000 2.322 479 V HA 0.033 4.153 4.120 0.001 0.000 0.258 479 V C 0.938 177.228 176.094 0.325 0.000 1.074 479 V CA -0.051 62.404 62.300 0.259 0.000 0.909 479 V CB -0.431 31.523 31.823 0.219 0.000 1.090 479 V HN 0.648 nan 8.190 nan 0.000 0.486 480 I N 3.995 124.706 120.570 0.236 0.000 2.594 480 I HA -0.016 4.154 4.170 0.001 0.000 0.237 480 I C 2.107 178.291 176.117 0.112 0.000 1.071 480 I CA 0.786 62.185 61.300 0.166 0.000 1.427 480 I CB -0.022 38.038 38.000 0.099 0.000 1.218 480 I HN 0.592 nan 8.210 nan 0.000 0.444 481 K N -0.318 120.144 120.400 0.104 0.000 2.290 481 K HA 0.257 4.578 4.320 0.001 0.000 0.225 481 K C 0.038 176.750 176.600 0.186 0.000 1.060 481 K CA 0.064 56.412 56.287 0.101 0.000 0.903 481 K CB 0.035 32.592 32.500 0.096 0.000 1.158 481 K HN 0.001 nan 8.250 nan 0.000 0.460 482 D N 0.498 121.008 120.400 0.185 0.000 2.433 482 D HA 0.371 5.011 4.640 0.001 0.000 0.236 482 D C -1.391 174.988 176.300 0.131 0.000 1.026 482 D CA -0.478 53.639 54.000 0.195 0.000 0.884 482 D CB 2.385 43.275 40.800 0.149 0.000 1.384 482 D HN 0.104 nan 8.370 nan 0.000 0.477 483 M N 1.969 121.633 119.600 0.106 0.000 2.206 483 M HA 0.263 4.743 4.480 0.001 0.000 0.272 483 M C -2.236 174.055 176.300 -0.016 0.000 1.012 483 M CA -0.499 54.832 55.300 0.053 0.000 0.986 483 M CB 1.647 34.276 32.600 0.048 0.000 1.740 483 M HN -0.002 nan 8.290 nan 0.000 0.472 484 V N 6.356 126.230 119.914 -0.066 0.000 2.432 484 V HA 0.523 4.643 4.120 0.001 0.000 0.275 484 V C -0.306 175.612 176.094 -0.292 0.000 1.043 484 V CA -0.444 61.733 62.300 -0.204 0.000 0.925 484 V CB 1.128 32.802 31.823 -0.247 0.000 0.985 484 V HN 0.819 nan 8.190 nan 0.000 0.466 485 L N 5.015 126.049 121.223 -0.316 0.000 2.346 485 L HA 0.629 4.969 4.340 0.001 0.000 0.274 485 L C -0.801 175.948 176.870 -0.203 0.000 1.007 485 L CA -0.401 54.324 54.840 -0.192 0.000 0.818 485 L CB 1.841 43.886 42.059 -0.024 0.000 1.284 485 L HN 0.428 nan 8.230 nan 0.000 0.424 486 F N 2.177 122.233 119.950 0.177 0.000 2.399 486 F HA 0.496 5.024 4.527 0.001 0.000 0.328 486 F C -1.670 174.172 175.800 0.071 0.000 1.084 486 F CA -2.144 55.953 58.000 0.161 0.000 1.053 486 F CB 0.399 39.397 39.000 -0.003 0.000 1.209 486 F HN 0.266 nan 8.300 nan 0.000 0.502 487 P HA 0.004 nan 4.420 nan 0.000 0.272 487 P C 0.575 177.718 177.300 -0.261 0.000 1.243 487 P CA 0.209 62.970 63.100 -0.564 0.000 0.803 487 P CB 0.339 31.829 31.700 -0.350 0.000 0.974 488 G N 0.241 108.869 108.800 -0.287 0.000 2.736 488 G HA2 -0.192 3.768 3.960 0.001 0.000 0.214 488 G HA3 -0.192 3.768 3.960 0.001 0.000 0.214 488 G C -0.262 174.573 174.900 -0.109 0.000 1.327 488 G CA 0.400 45.407 45.100 -0.155 0.000 0.818 488 G HN 0.560 nan 8.290 nan 0.000 0.611 489 E N 1.269 121.411 120.200 -0.096 0.000 3.025 489 E HA 0.325 4.676 4.350 0.001 0.000 0.248 489 E C 0.584 177.094 176.600 -0.151 0.000 0.938 489 E CA 0.336 56.691 56.400 -0.075 0.000 0.958 489 E CB 0.210 29.869 29.700 -0.069 0.000 0.898 489 E HN 0.545 nan 8.360 nan 0.000 0.537 490 A N 3.848 126.545 122.820 -0.204 0.000 2.386 490 A HA 0.538 4.859 4.320 0.001 0.000 0.248 490 A C 0.441 177.718 177.584 -0.512 0.000 1.082 490 A CA 0.059 51.857 52.037 -0.399 0.000 0.789 490 A CB 0.460 19.145 19.000 -0.525 0.000 1.025 490 A HN 0.644 nan 8.150 nan 0.000 0.490 491 T N -0.727 113.499 114.554 -0.547 0.000 2.883 491 T HA 0.667 5.017 4.350 0.001 0.000 0.296 491 T C -0.487 173.783 174.700 -0.717 0.000 1.117 491 T CA -0.754 61.011 62.100 -0.558 0.000 1.006 491 T CB 0.660 69.281 68.868 -0.413 0.000 1.191 491 T HN 0.460 nan 8.240 nan 0.000 0.508 492 L N 1.642 122.398 121.223 -0.778 0.000 2.375 492 L HA 0.413 4.753 4.340 0.001 0.000 0.268 492 L C -1.396 174.961 176.870 -0.855 0.000 1.058 492 L CA -2.558 51.699 54.840 -0.972 0.000 0.803 492 L CB 1.074 42.443 42.059 -1.150 0.000 1.212 492 L HN 0.443 nan 8.230 nan 0.000 0.451 493 P HA -0.274 nan 4.420 nan 0.000 0.219 493 P C 0.924 178.028 177.300 -0.328 0.000 1.159 493 P CA 1.902 64.766 63.100 -0.393 0.000 0.944 493 P CB -0.096 31.483 31.700 -0.202 0.000 0.792 494 F N -1.400 118.501 119.950 -0.082 0.000 2.053 494 F HA 0.070 4.598 4.527 0.001 0.000 0.288 494 F C 1.495 177.240 175.800 -0.091 0.000 1.333 494 F CA 0.613 58.572 58.000 -0.067 0.000 1.130 494 F CB -1.987 36.989 39.000 -0.040 0.000 0.956 494 F HN -0.115 nan 8.300 nan 0.000 0.503 495 N N 0.129 119.090 118.700 0.434 0.000 2.717 495 N HA -0.318 4.423 4.740 0.001 0.000 0.248 495 N C -0.824 174.739 175.510 0.087 0.000 1.099 495 N CA 0.976 54.141 53.050 0.192 0.000 0.843 495 N CB -1.333 37.124 38.487 -0.049 0.000 1.155 495 N HN 0.797 nan 8.380 nan 0.000 0.580 496 E N -2.331 117.928 120.200 0.099 0.000 3.730 496 E HA -0.163 4.188 4.350 0.001 0.000 0.210 496 E C -0.685 175.920 176.600 0.007 0.000 2.009 496 E CA 0.923 57.350 56.400 0.045 0.000 0.925 496 E CB -1.337 28.386 29.700 0.037 0.000 0.994 496 E HN 0.402 nan 8.360 nan 0.000 0.339 497 V N -0.254 119.656 119.914 -0.007 0.000 3.001 497 V HA 0.853 4.973 4.120 0.001 0.000 0.314 497 V C -2.137 173.954 176.094 -0.005 0.000 1.099 497 V CA -2.628 59.660 62.300 -0.020 0.000 0.989 497 V CB 1.613 33.403 31.823 -0.056 0.000 1.040 497 V HN 0.480 nan 8.190 nan 0.000 0.434 498 P HA 0.168 nan 4.420 nan 0.000 0.263 498 P C 1.069 178.377 177.300 0.013 0.000 1.175 498 P CA 0.791 63.897 63.100 0.011 0.000 0.761 498 P CB 0.687 32.397 31.700 0.017 0.000 0.794 499 A N 3.687 126.515 122.820 0.012 0.000 1.954 499 A HA -0.285 4.035 4.320 0.001 0.000 0.222 499 A C 1.911 179.506 177.584 0.018 0.000 1.199 499 A CA 2.393 54.438 52.037 0.014 0.000 0.657 499 A CB -1.439 17.568 19.000 0.012 0.000 0.823 499 A HN 0.663 nan 8.150 nan 0.000 0.463 500 I N -0.830 119.752 120.570 0.020 0.000 2.500 500 I HA -0.077 4.094 4.170 0.001 0.000 0.252 500 I C 2.047 178.200 176.117 0.059 0.000 1.142 500 I CA 1.158 62.474 61.300 0.028 0.000 1.451 500 I CB -0.082 37.924 38.000 0.010 0.000 1.093 500 I HN 0.084 nan 8.210 nan 0.000 0.430 501 V N 0.688 120.640 119.914 0.064 0.000 2.282 501 V HA -0.300 3.820 4.120 0.001 0.000 0.249 501 V C 2.592 178.736 176.094 0.083 0.000 1.057 501 V CA 2.340 64.707 62.300 0.111 0.000 1.032 501 V CB -1.397 30.459 31.823 0.054 0.000 0.645 501 V HN 0.513 nan 8.190 nan 0.000 0.447 502 S N -0.894 114.818 115.700 0.019 0.000 2.368 502 S HA -0.176 4.295 4.470 0.001 0.000 0.224 502 S C 1.916 176.536 174.600 0.034 0.000 1.029 502 S CA 1.124 59.321 58.200 -0.006 0.000 0.988 502 S CB -0.349 62.845 63.200 -0.010 0.000 0.838 502 S HN 0.597 nan 8.310 nan 0.000 0.462 503 E N 1.303 121.531 120.200 0.046 0.000 2.068 503 E HA -0.226 4.124 4.350 0.001 0.000 0.207 503 E C 2.242 178.889 176.600 0.077 0.000 1.032 503 E CA 1.307 57.738 56.400 0.051 0.000 0.839 503 E CB -0.348 29.376 29.700 0.040 0.000 0.758 503 E HN 0.418 nan 8.360 nan 0.000 0.457 504 Q N 0.046 119.916 119.800 0.118 0.000 2.119 504 Q HA -0.125 4.216 4.340 0.001 0.000 0.201 504 Q C 2.228 178.381 176.000 0.255 0.000 0.972 504 Q CA 0.959 56.863 55.803 0.169 0.000 0.847 504 Q CB -0.314 28.534 28.738 0.183 0.000 0.903 504 Q HN 0.233 nan 8.270 nan 0.000 0.433 505 R N 0.614 121.258 120.500 0.240 0.000 2.070 505 R HA -0.168 4.172 4.340 0.001 0.000 0.233 505 R C 2.242 178.589 176.300 0.079 0.000 1.137 505 R CA 1.676 57.845 56.100 0.115 0.000 0.945 505 R CB 0.018 30.225 30.300 -0.155 0.000 0.845 505 R HN 0.287 nan 8.270 nan 0.000 0.430 506 Q N 0.179 120.013 119.800 0.056 0.000 2.112 506 Q HA -0.238 4.103 4.340 0.001 0.000 0.206 506 Q C 2.116 178.160 176.000 0.074 0.000 0.987 506 Q CA 2.123 57.959 55.803 0.054 0.000 0.858 506 Q CB -0.091 28.675 28.738 0.047 0.000 0.905 506 Q HN 0.320 nan 8.270 nan 0.000 0.420 507 K N 0.654 121.105 120.400 0.086 0.000 2.009 507 K HA -0.223 4.098 4.320 0.001 0.000 0.210 507 K C 2.075 178.735 176.600 0.099 0.000 1.049 507 K CA 1.443 57.781 56.287 0.085 0.000 0.929 507 K CB -0.123 32.423 32.500 0.077 0.000 0.714 507 K HN 0.225 nan 8.250 nan 0.000 0.440 508 E N 0.953 121.229 120.200 0.127 0.000 2.035 508 E HA -0.262 4.089 4.350 0.001 0.000 0.204 508 E C 2.026 178.704 176.600 0.130 0.000 1.025 508 E CA 1.707 58.190 56.400 0.138 0.000 0.835 508 E CB -0.141 29.667 29.700 0.180 0.000 0.764 508 E HN 0.184 nan 8.360 nan 0.000 0.457 509 L N 0.620 121.910 121.223 0.112 0.000 1.990 509 L HA -0.260 4.081 4.340 0.001 0.000 0.213 509 L C 2.608 179.549 176.870 0.118 0.000 1.072 509 L CA 1.786 56.694 54.840 0.113 0.000 0.755 509 L CB -0.618 41.494 42.059 0.089 0.000 0.889 509 L HN 0.243 nan 8.230 nan 0.000 0.432 510 E N -0.283 119.977 120.200 0.100 0.000 2.065 510 E HA -0.360 3.990 4.350 0.001 0.000 0.201 510 E C 2.168 178.828 176.600 0.099 0.000 1.016 510 E CA 1.975 58.430 56.400 0.092 0.000 0.818 510 E CB -0.179 29.566 29.700 0.076 0.000 0.749 510 E HN 0.390 nan 8.360 nan 0.000 0.453 511 Q N 0.825 120.687 119.800 0.103 0.000 2.170 511 Q HA -0.142 4.199 4.340 0.001 0.000 0.203 511 Q C 1.892 177.974 176.000 0.138 0.000 0.976 511 Q CA 1.320 57.185 55.803 0.103 0.000 0.858 511 Q CB 0.063 28.859 28.738 0.096 0.000 0.907 511 Q HN 0.041 nan 8.270 nan 0.000 0.433 512 R N 0.193 120.804 120.500 0.186 0.000 2.120 512 R HA -0.085 4.256 4.340 0.001 0.000 0.234 512 R C 1.776 178.239 176.300 0.271 0.000 1.123 512 R CA 1.374 57.647 56.100 0.289 0.000 0.975 512 R CB -0.192 30.284 30.300 0.293 0.000 0.866 512 R HN 0.199 nan 8.270 nan 0.000 0.446 513 K N 0.213 120.720 120.400 0.177 0.000 2.439 513 K HA -0.014 4.306 4.320 0.001 0.000 0.197 513 K C 1.707 178.369 176.600 0.102 0.000 1.041 513 K CA 0.354 56.728 56.287 0.144 0.000 0.970 513 K CB -0.033 32.541 32.500 0.125 0.000 0.773 513 K HN -0.035 nan 8.250 nan 0.000 0.479 514 L N -0.083 121.190 121.223 0.084 0.000 2.179 514 L HA -0.071 4.269 4.340 0.001 0.000 0.208 514 L C 2.124 178.982 176.870 -0.019 0.000 1.096 514 L CA 1.667 56.528 54.840 0.035 0.000 0.779 514 L CB -0.656 41.421 42.059 0.030 0.000 0.922 514 L HN 0.339 nan 8.230 nan 0.000 0.443 515 T N -4.654 109.871 114.554 -0.047 0.000 3.033 515 T HA 0.016 4.366 4.350 0.001 0.000 0.248 515 T C 0.326 174.814 174.700 -0.354 0.000 1.040 515 T CA 0.151 62.105 62.100 -0.243 0.000 1.133 515 T CB -0.345 68.293 68.868 -0.383 0.000 0.895 515 T HN -0.003 nan 8.240 nan 0.000 0.465 516 Y N 2.416 122.676 120.300 -0.066 0.000 2.504 516 Y HA 0.628 5.178 4.550 0.001 0.000 0.339 516 Y C 0.559 176.371 175.900 -0.147 0.000 0.974 516 Y CA -1.025 57.005 58.100 -0.116 0.000 1.232 516 Y CB 0.692 39.104 38.460 -0.081 0.000 1.108 516 Y HN 0.200 nan 8.280 nan 0.000 0.509 517 Q N 1.328 121.097 119.800 -0.053 0.000 2.306 517 Q HA 0.389 4.730 4.340 0.001 0.000 0.269 517 Q C -1.090 174.811 176.000 -0.166 0.000 1.053 517 Q CA -1.059 54.702 55.803 -0.071 0.000 0.879 517 Q CB 2.044 30.782 28.738 0.001 0.000 1.344 517 Q HN 0.646 nan 8.270 nan 0.000 0.464 518 W N 0.581 121.835 121.300 -0.076 0.000 2.303 518 W HA 0.321 4.982 4.660 0.001 0.000 0.334 518 W C 0.115 176.411 176.519 -0.371 0.000 1.197 518 W CA 0.299 57.498 57.345 -0.244 0.000 1.262 518 W CB 0.958 30.269 29.460 -0.248 0.000 1.153 518 W HN 0.413 nan 8.180 nan 0.000 0.596 519 D N 0.258 120.484 120.400 -0.289 0.000 2.599 519 D HA 0.338 4.978 4.640 0.001 0.000 0.252 519 D C -1.879 174.073 176.300 -0.580 0.000 1.232 519 D CA -0.700 53.071 54.000 -0.381 0.000 0.819 519 D CB 1.953 42.686 40.800 -0.111 0.000 1.401 519 D HN 0.256 nan 8.370 nan 0.000 0.429 520 Y N 0.020 120.369 120.300 0.080 0.000 2.470 520 Y HA 0.240 4.790 4.550 0.001 0.000 0.341 520 Y C 1.197 177.105 175.900 0.013 0.000 1.021 520 Y CA -0.951 57.172 58.100 0.038 0.000 1.025 520 Y CB 1.651 40.116 38.460 0.010 0.000 1.266 520 Y HN 0.040 nan 8.280 nan 0.000 0.448 521 V N 0.859 120.852 119.914 0.130 0.000 2.261 521 V HA -0.160 3.960 4.120 0.001 0.000 0.246 521 V C 0.773 176.907 176.094 0.068 0.000 1.047 521 V CA 1.998 64.338 62.300 0.068 0.000 1.015 521 V CB -0.412 31.427 31.823 0.026 0.000 0.642 521 V HN 0.828 nan 8.190 nan 0.000 0.446 522 S N -2.274 113.464 115.700 0.063 0.000 2.618 522 S HA 0.353 4.824 4.470 0.001 0.000 0.277 522 S C 0.108 174.725 174.600 0.028 0.000 1.138 522 S CA -0.571 57.652 58.200 0.039 0.000 0.844 522 S CB 1.735 64.945 63.200 0.017 0.000 1.127 522 S HN 0.147 nan 8.310 nan 0.000 0.474 523 D N 0.702 121.106 120.400 0.007 0.000 2.280 523 D HA -0.097 4.544 4.640 0.001 0.000 0.206 523 D C 0.401 176.748 176.300 0.078 0.000 0.988 523 D CA 1.605 55.598 54.000 -0.012 0.000 0.886 523 D CB -0.179 40.619 40.800 -0.003 0.000 0.914 523 D HN 0.670 nan 8.370 nan 0.000 0.473 524 D N -1.362 119.107 120.400 0.114 0.000 2.369 524 D HA 0.059 4.700 4.640 0.001 0.000 0.211 524 D C 0.411 176.838 176.300 0.211 0.000 1.077 524 D CA -0.039 54.111 54.000 0.250 0.000 0.842 524 D CB 0.458 41.294 40.800 0.061 0.000 0.947 524 D HN 0.006 nan 8.370 nan 0.000 0.509 525 M N 1.406 121.003 119.600 -0.005 0.000 2.342 525 M HA 0.334 4.814 4.480 0.001 0.000 0.332 525 M C -2.264 173.770 176.300 -0.443 0.000 1.166 525 M CA -2.702 52.431 55.300 -0.279 0.000 1.086 525 M CB 0.654 33.170 32.600 -0.139 0.000 1.541 525 M HN -0.226 nan 8.290 nan 0.000 0.462 526 P HA 0.086 nan 4.420 nan 0.000 0.270 526 P C 0.099 177.424 177.300 0.043 0.000 1.223 526 P CA -0.168 62.616 63.100 -0.526 0.000 0.785 526 P CB 0.147 31.425 31.700 -0.704 0.000 0.923 527 G N 1.808 110.786 108.800 0.296 0.000 2.544 527 G HA2 0.260 4.221 3.960 0.001 0.000 0.242 527 G HA3 0.260 4.221 3.960 0.001 0.000 0.242 527 G C -0.055 175.082 174.900 0.395 0.000 1.247 527 G CA -0.524 44.811 45.100 0.392 0.000 0.840 527 G HN 0.791 nan 8.290 nan 0.000 0.578 528 N N -0.056 118.773 118.700 0.215 0.000 2.647 528 N HA 0.291 5.032 4.740 0.001 0.000 0.266 528 N C -1.124 174.359 175.510 -0.046 0.000 1.373 528 N CA -0.960 52.137 53.050 0.079 0.000 0.807 528 N CB 2.216 40.720 38.487 0.028 0.000 1.513 528 N HN 0.457 nan 8.380 nan 0.000 0.505 529 I N 0.282 120.804 120.570 -0.080 0.000 2.496 529 I HA 0.074 4.244 4.170 0.001 0.000 0.285 529 I C 0.543 176.602 176.117 -0.098 0.000 1.080 529 I CA -0.338 60.891 61.300 -0.119 0.000 1.404 529 I CB 0.440 38.393 38.000 -0.079 0.000 1.403 529 I HN 0.470 nan 8.210 nan 0.000 0.539 530 K N 7.075 127.413 120.400 -0.104 0.000 2.363 530 K HA 0.550 4.870 4.320 0.001 0.000 0.289 530 K C -0.993 175.553 176.600 -0.090 0.000 1.063 530 K CA 0.015 56.253 56.287 -0.082 0.000 0.967 530 K CB 0.274 32.736 32.500 -0.063 0.000 0.987 530 K HN 0.768 nan 8.250 nan 0.000 0.473 531 A N 3.882 126.655 122.820 -0.078 0.000 2.581 531 A HA 0.175 4.495 4.320 0.001 0.000 0.294 531 A C -0.354 177.192 177.584 -0.063 0.000 1.035 531 A CA -0.820 51.167 52.037 -0.083 0.000 0.684 531 A CB 1.195 20.130 19.000 -0.108 0.000 1.282 531 A HN 0.760 nan 8.150 nan 0.000 0.417 532 K N -0.371 119.994 120.400 -0.058 0.000 2.202 532 K HA 0.178 4.498 4.320 0.001 0.000 0.201 532 K C 0.742 177.317 176.600 -0.040 0.000 1.051 532 K CA 1.820 58.081 56.287 -0.042 0.000 0.977 532 K CB 0.171 32.651 32.500 -0.034 0.000 0.792 532 K HN 0.990 nan 8.250 nan 0.000 0.469 533 T N -3.893 110.634 114.554 -0.046 0.000 2.716 533 T HA 0.140 4.490 4.350 0.001 0.000 0.286 533 T C 0.796 175.479 174.700 -0.027 0.000 1.052 533 T CA -0.818 61.266 62.100 -0.028 0.000 1.024 533 T CB 1.103 69.962 68.868 -0.014 0.000 1.349 533 T HN 0.140 nan 8.240 nan 0.000 0.525 534 H N 0.237 119.238 119.070 -0.115 0.000 2.326 534 H HA -0.081 4.476 4.556 0.001 0.000 0.301 534 H C 0.877 176.119 175.328 -0.143 0.000 1.081 534 H CA 1.962 57.919 56.048 -0.150 0.000 1.334 534 H CB -0.058 29.618 29.762 -0.144 0.000 1.385 534 H HN 0.600 nan 8.280 nan 0.000 0.504 535 D N 0.439 120.704 120.400 -0.225 0.000 2.310 535 D HA -0.122 4.519 4.640 0.001 0.000 0.212 535 D C 1.673 177.838 176.300 -0.224 0.000 0.965 535 D CA 0.434 54.270 54.000 -0.274 0.000 0.879 535 D CB -0.371 40.337 40.800 -0.154 0.000 0.921 535 D HN 0.458 nan 8.370 nan 0.000 0.510 536 D N 0.033 120.329 120.400 -0.173 0.000 2.219 536 D HA -0.059 4.582 4.640 0.001 0.000 0.205 536 D C 0.655 176.839 176.300 -0.192 0.000 0.970 536 D CA 0.229 54.139 54.000 -0.151 0.000 0.851 536 D CB 0.325 41.060 40.800 -0.108 0.000 0.943 536 D HN 0.151 nan 8.370 nan 0.000 0.488 537 L N 1.691 122.773 121.223 -0.236 0.000 2.453 537 L HA 0.185 4.525 4.340 0.001 0.000 0.261 537 L C -1.802 174.883 176.870 -0.308 0.000 1.179 537 L CA -1.244 53.437 54.840 -0.264 0.000 0.813 537 L CB 0.299 42.206 42.059 -0.253 0.000 1.110 537 L HN -0.072 nan 8.230 nan 0.000 0.466 538 P HA 0.079 nan 4.420 nan 0.000 0.272 538 P C -0.165 176.955 177.300 -0.302 0.000 1.223 538 P CA -0.451 62.429 63.100 -0.366 0.000 0.784 538 P CB 0.862 32.215 31.700 -0.579 0.000 0.923 539 R N 1.790 122.137 120.500 -0.254 0.000 2.090 539 R HA -0.100 4.240 4.340 0.001 0.000 0.228 539 R C 1.193 177.457 176.300 -0.060 0.000 1.110 539 R CA 1.731 57.660 56.100 -0.284 0.000 0.973 539 R CB -1.204 28.808 30.300 -0.480 0.000 0.869 539 R HN 0.362 nan 8.270 nan 0.000 0.440 540 D N -0.502 119.933 120.400 0.059 0.000 2.357 540 D HA -0.125 4.516 4.640 0.001 0.000 0.216 540 D C 1.312 177.682 176.300 0.117 0.000 0.973 540 D CA 1.446 55.565 54.000 0.199 0.000 0.912 540 D CB 0.146 40.978 40.800 0.053 0.000 0.900 540 D HN 0.358 nan 8.370 nan 0.000 0.501 541 V N -3.386 116.508 119.914 -0.032 0.000 3.432 541 V HA 0.198 4.319 4.120 0.001 0.000 0.298 541 V C 0.526 176.614 176.094 -0.009 0.000 1.464 541 V CA -0.456 61.840 62.300 -0.007 0.000 1.046 541 V CB -0.057 31.686 31.823 -0.134 0.000 0.887 541 V HN -0.129 nan 8.190 nan 0.000 0.441 542 Q N 0.422 120.218 119.800 -0.008 0.000 2.382 542 Q HA 0.370 4.710 4.340 0.001 0.000 0.229 542 Q C -0.656 175.516 176.000 0.287 0.000 1.006 542 Q CA -0.728 55.102 55.803 0.045 0.000 0.916 542 Q CB 0.798 29.418 28.738 -0.197 0.000 1.235 542 Q HN 0.425 nan 8.270 nan 0.000 0.512 543 F N 1.573 121.700 119.950 0.294 0.000 2.572 543 F HA -0.044 4.483 4.527 0.001 0.000 0.370 543 F C 0.988 176.894 175.800 0.177 0.000 1.103 543 F CA -0.452 57.640 58.000 0.153 0.000 1.286 543 F CB 0.108 39.119 39.000 0.017 0.000 1.105 543 F HN 0.414 nan 8.300 nan 0.000 0.583 544 T N 0.439 115.213 114.554 0.367 0.000 2.831 544 T HA -0.011 4.339 4.350 0.001 0.000 0.291 544 T C 0.878 175.656 174.700 0.131 0.000 0.981 544 T CA -0.568 61.653 62.100 0.201 0.000 1.174 544 T CB 0.188 69.120 68.868 0.105 0.000 0.929 544 T HN 0.468 nan 8.240 nan 0.000 0.532 545 D N 2.420 122.880 120.400 0.100 0.000 2.292 545 D HA -0.130 4.511 4.640 0.001 0.000 0.205 545 D C 1.723 178.029 176.300 0.010 0.000 0.994 545 D CA 1.517 55.531 54.000 0.023 0.000 0.897 545 D CB -0.003 40.720 40.800 -0.129 0.000 0.907 545 D HN 0.790 nan 8.370 nan 0.000 0.467 546 E N 0.133 120.341 120.200 0.014 0.000 2.072 546 E HA -0.065 4.286 4.350 0.001 0.000 0.190 546 E C 1.787 178.356 176.600 -0.051 0.000 0.982 546 E CA 0.729 57.126 56.400 -0.005 0.000 0.803 546 E CB -0.010 29.693 29.700 0.005 0.000 0.755 546 E HN 0.153 nan 8.360 nan 0.000 0.453 547 K N 0.082 120.416 120.400 -0.111 0.000 2.167 547 K HA 0.019 4.340 4.320 0.001 0.000 0.203 547 K C 2.248 178.608 176.600 -0.399 0.000 1.052 547 K CA 0.835 56.935 56.287 -0.312 0.000 0.956 547 K CB 0.004 32.226 32.500 -0.464 0.000 0.735 547 K HN 0.025 nan 8.250 nan 0.000 0.451 548 S N 0.716 116.332 115.700 -0.139 0.000 2.368 548 S HA -0.136 4.334 4.470 0.001 0.000 0.224 548 S C 2.001 176.652 174.600 0.086 0.000 1.029 548 S CA 1.030 59.295 58.200 0.109 0.000 0.988 548 S CB -0.123 63.206 63.200 0.215 0.000 0.838 548 S HN 0.305 nan 8.310 nan 0.000 0.462 549 R N 0.483 120.999 120.500 0.026 0.000 2.070 549 R HA -0.061 4.279 4.340 0.001 0.000 0.233 549 R C 2.578 178.887 176.300 0.014 0.000 1.137 549 R CA 1.779 57.891 56.100 0.019 0.000 0.945 549 R CB -1.042 29.263 30.300 0.009 0.000 0.845 549 R HN 0.464 nan 8.270 nan 0.000 0.430 550 S N -0.383 115.315 115.700 -0.005 0.000 2.389 550 S HA -0.264 4.206 4.470 0.001 0.000 0.231 550 S C 1.749 176.371 174.600 0.036 0.000 1.052 550 S CA 1.813 60.014 58.200 0.001 0.000 1.053 550 S CB -0.531 62.651 63.200 -0.030 0.000 0.886 550 S HN 0.562 nan 8.310 nan 0.000 0.456 551 Y N 2.112 122.367 120.300 -0.075 0.000 2.092 551 Y HA -0.074 4.477 4.550 0.001 0.000 0.282 551 Y C 2.535 178.440 175.900 0.008 0.000 1.126 551 Y CA 2.095 60.181 58.100 -0.024 0.000 1.111 551 Y CB -1.008 37.475 38.460 0.038 0.000 0.987 551 Y HN 0.245 nan 8.280 nan 0.000 0.489 552 Q N 0.709 120.413 119.800 -0.160 0.000 2.217 552 Q HA -0.215 4.126 4.340 0.001 0.000 0.209 552 Q C 1.973 177.870 176.000 -0.172 0.000 0.988 552 Q CA 1.761 57.423 55.803 -0.235 0.000 0.878 552 Q CB -0.411 28.293 28.738 -0.056 0.000 0.909 552 Q HN 0.646 nan 8.270 nan 0.000 0.424 553 E N 0.734 120.882 120.200 -0.087 0.000 2.001 553 E HA -0.100 4.251 4.350 0.001 0.000 0.193 553 E C 2.060 178.648 176.600 -0.020 0.000 0.994 553 E CA 1.476 57.856 56.400 -0.033 0.000 0.815 553 E CB -0.171 29.534 29.700 0.008 0.000 0.770 553 E HN 0.446 nan 8.360 nan 0.000 0.453 554 S N 1.051 116.754 115.700 0.005 0.000 2.493 554 S HA -0.088 4.382 4.470 0.001 0.000 0.243 554 S C 1.777 176.407 174.600 0.050 0.000 0.991 554 S CA 0.570 58.839 58.200 0.115 0.000 0.957 554 S CB -0.122 63.113 63.200 0.058 0.000 0.756 554 S HN 0.100 nan 8.310 nan 0.000 0.521 555 R N 1.722 122.146 120.500 -0.128 0.000 2.060 555 R HA 0.071 4.412 4.340 0.001 0.000 0.225 555 R C 2.478 178.730 176.300 -0.079 0.000 1.155 555 R CA 1.447 57.444 56.100 -0.170 0.000 0.930 555 R CB -0.705 29.375 30.300 -0.367 0.000 0.829 555 R HN 0.488 nan 8.270 nan 0.000 0.433 556 K N 0.595 120.945 120.400 -0.082 0.000 2.074 556 K HA -0.170 4.151 4.320 0.001 0.000 0.209 556 K C 2.009 178.594 176.600 -0.025 0.000 1.048 556 K CA 1.727 57.986 56.287 -0.047 0.000 0.926 556 K CB -0.159 32.316 32.500 -0.042 0.000 0.713 556 K HN 0.192 nan 8.250 nan 0.000 0.444 557 A N 0.731 123.549 122.820 -0.003 0.000 1.908 557 A HA -0.158 4.163 4.320 0.001 0.000 0.218 557 A C 2.279 179.843 177.584 -0.032 0.000 1.181 557 A CA 2.101 54.142 52.037 0.007 0.000 0.627 557 A CB -0.745 18.300 19.000 0.075 0.000 0.818 557 A HN 0.526 nan 8.150 nan 0.000 0.445 558 A N -0.814 122.002 122.820 -0.007 0.000 1.898 558 A HA 0.121 4.442 4.320 0.001 0.000 0.214 558 A C 2.043 179.602 177.584 -0.041 0.000 1.183 558 A CA 1.389 53.399 52.037 -0.044 0.000 0.622 558 A CB -0.618 18.403 19.000 0.034 0.000 0.824 558 A HN 0.721 nan 8.150 nan 0.000 0.444 559 L N -0.058 121.149 121.223 -0.028 0.000 2.189 559 L HA -0.117 4.223 4.340 0.001 0.000 0.214 559 L C 2.243 179.093 176.870 -0.032 0.000 1.097 559 L CA 1.703 56.525 54.840 -0.029 0.000 0.764 559 L CB -0.541 41.501 42.059 -0.029 0.000 0.900 559 L HN 0.150 nan 8.230 nan 0.000 0.436 560 V N -0.001 119.891 119.914 -0.036 0.000 2.594 560 V HA -0.247 3.873 4.120 0.001 0.000 0.253 560 V C 2.240 178.308 176.094 -0.043 0.000 1.069 560 V CA 1.840 64.118 62.300 -0.037 0.000 1.082 560 V CB -0.619 31.182 31.823 -0.036 0.000 0.680 560 V HN 0.600 nan 8.190 nan 0.000 0.469 561 N N 0.638 119.304 118.700 -0.057 0.000 2.300 561 N HA -0.041 4.699 4.740 0.001 0.000 0.179 561 N C 1.332 176.815 175.510 -0.045 0.000 1.016 561 N CA 1.272 54.285 53.050 -0.062 0.000 0.876 561 N CB -0.190 38.242 38.487 -0.091 0.000 0.979 561 N HN 0.591 nan 8.380 nan 0.000 0.432 562 L N -2.706 118.495 121.223 -0.038 0.000 2.688 562 L HA 0.554 4.894 4.340 0.001 0.000 0.234 562 L C 1.092 177.948 176.870 -0.024 0.000 1.192 562 L CA 0.130 54.953 54.840 -0.028 0.000 0.984 562 L CB 0.145 42.190 42.059 -0.024 0.000 1.232 562 L HN -0.110 nan 8.230 nan 0.000 0.465 563 G N -1.295 107.490 108.800 -0.025 0.000 4.008 563 G HA2 0.315 4.275 3.960 0.001 0.000 0.278 563 G HA3 0.315 4.275 3.960 0.001 0.000 0.278 563 G C 0.410 175.297 174.900 -0.021 0.000 1.021 563 G CA 0.222 45.309 45.100 -0.021 0.000 0.833 563 G HN 0.262 nan 8.290 nan 0.000 0.454 564 I N -0.673 119.882 120.570 -0.025 0.000 4.864 564 I HA 0.320 4.491 4.170 0.001 0.000 0.337 564 I C 2.058 178.160 176.117 -0.025 0.000 1.283 564 I CA 0.895 62.180 61.300 -0.025 0.000 1.350 564 I CB 0.975 38.958 38.000 -0.029 0.000 1.412 564 I HN 0.015 nan 8.210 nan 0.000 0.487 565 G N -0.317 108.467 108.800 -0.027 0.000 2.656 565 G HA2 -0.059 3.901 3.960 0.001 0.000 0.211 565 G HA3 -0.059 3.901 3.960 0.001 0.000 0.211 565 G C 1.547 176.434 174.900 -0.020 0.000 1.137 565 G CA 0.763 45.848 45.100 -0.025 0.000 0.802 565 G HN 0.401 nan 8.290 nan 0.000 0.527 566 S N 0.202 115.890 115.700 -0.019 0.000 2.428 566 S HA 0.220 4.691 4.470 0.001 0.000 0.230 566 S C 1.303 175.895 174.600 -0.013 0.000 1.014 566 S CA -0.132 58.058 58.200 -0.016 0.000 0.957 566 S CB -0.247 62.943 63.200 -0.016 0.000 0.784 566 S HN 0.213 nan 8.310 nan 0.000 0.499 600 H N -1.270 117.635 119.070 -0.275 0.000 3.124 600 H HA 0.438 4.994 4.556 0.001 0.000 0.250 600 H C 0.142 175.381 175.328 -0.149 0.000 1.184 600 H CA -0.452 55.462 56.048 -0.223 0.000 1.013 600 H CB -0.487 28.971 29.762 -0.508 0.000 1.891 600 H HN -0.125 nan 8.280 nan 0.000 0.687 601 E N 1.405 121.508 120.200 -0.161 0.000 2.408 601 E HA -0.026 4.325 4.350 0.001 0.000 0.259 601 E C 0.305 176.995 176.600 0.150 0.000 1.110 601 E CA 0.282 56.670 56.400 -0.021 0.000 0.929 601 E CB 0.857 30.574 29.700 0.028 0.000 0.971 601 E HN 0.444 nan 8.360 nan 0.000 0.438 602 D N 1.272 121.773 120.400 0.168 0.000 2.177 602 D HA -0.246 4.395 4.640 0.001 0.000 0.189 602 D C 1.871 178.290 176.300 0.198 0.000 1.002 602 D CA 2.062 56.228 54.000 0.277 0.000 0.845 602 D CB -0.015 40.959 40.800 0.290 0.000 0.960 602 D HN 0.407 nan 8.370 nan 0.000 0.447 603 R N -0.216 120.257 120.500 -0.044 0.000 2.112 603 R HA -0.212 4.129 4.340 0.001 0.000 0.242 603 R C 2.254 178.431 176.300 -0.206 0.000 1.137 603 R CA 2.057 57.968 56.100 -0.315 0.000 0.944 603 R CB -0.654 29.133 30.300 -0.855 0.000 0.857 603 R HN 0.384 nan 8.270 nan 0.000 0.435 604 W N -0.359 121.013 121.300 0.120 0.000 2.379 604 W HA -0.117 4.543 4.660 0.001 0.000 0.307 604 W C 2.122 178.826 176.519 0.309 0.000 1.200 604 W CA -0.043 57.428 57.345 0.210 0.000 1.297 604 W CB -0.644 28.925 29.460 0.182 0.000 1.140 604 W HN 0.109 nan 8.180 nan 0.000 0.507 605 F N 1.680 121.838 119.950 0.345 0.000 2.287 605 F HA -0.134 4.394 4.527 0.001 0.000 0.301 605 F C 1.950 177.964 175.800 0.358 0.000 1.069 605 F CA 1.674 59.852 58.000 0.296 0.000 1.372 605 F CB -0.792 38.308 39.000 0.167 0.000 1.056 605 F HN -0.144 nan 8.300 nan 0.000 0.523 606 G N -1.444 107.468 108.800 0.186 0.000 2.408 606 G HA2 -0.279 3.682 3.960 0.001 0.000 0.213 606 G HA3 -0.279 3.682 3.960 0.001 0.000 0.213 606 G C 1.658 176.622 174.900 0.105 0.000 1.177 606 G CA 0.510 45.633 45.100 0.038 0.000 0.802 606 G HN 0.508 nan 8.290 nan 0.000 0.533 607 Y N 1.866 122.231 120.300 0.110 0.000 2.228 607 Y HA -0.299 4.251 4.550 0.001 0.000 0.285 607 Y C 2.851 178.850 175.900 0.164 0.000 1.178 607 Y CA 1.996 60.203 58.100 0.179 0.000 1.202 607 Y CB 0.182 38.876 38.460 0.389 0.000 0.974 607 Y HN 0.450 nan 8.280 nan 0.000 0.527 608 Q N -1.521 118.376 119.800 0.162 0.000 2.365 608 Q HA 0.032 4.373 4.340 0.001 0.000 0.203 608 Q C 0.582 176.532 176.000 -0.085 0.000 0.929 608 Q CA 0.673 56.475 55.803 -0.003 0.000 0.948 608 Q CB -0.405 28.397 28.738 0.107 0.000 1.043 608 Q HN 0.430 nan 8.270 nan 0.000 0.505 609 F N -0.362 119.442 119.950 -0.244 0.000 2.399 609 F HA 0.256 4.783 4.527 0.001 0.000 0.282 609 F C 1.563 177.258 175.800 -0.175 0.000 1.027 609 F CA -0.053 57.788 58.000 -0.264 0.000 1.333 609 F CB -0.060 38.652 39.000 -0.480 0.000 1.132 609 F HN 0.017 nan 8.300 nan 0.000 0.590 610 L N 0.357 121.618 121.223 0.064 0.000 1.925 610 L HA -0.319 4.022 4.340 0.001 0.000 0.232 610 L C 1.444 178.372 176.870 0.097 0.000 1.089 610 L CA 2.341 57.333 54.840 0.252 0.000 0.806 610 L CB -0.922 41.276 42.059 0.231 0.000 0.899 610 L HN 0.182 nan 8.230 nan 0.000 0.435 611 N N -0.882 117.734 118.700 -0.141 0.000 2.412 611 N HA 0.015 4.755 4.740 0.001 0.000 0.184 611 N C 1.146 176.566 175.510 -0.151 0.000 1.101 611 N CA 0.203 53.130 53.050 -0.207 0.000 0.881 611 N CB 0.158 38.537 38.487 -0.180 0.000 0.969 611 N HN 0.389 nan 8.380 nan 0.000 0.459 612 G N 0.906 109.540 108.800 -0.277 0.000 2.751 612 G HA2 0.195 4.155 3.960 0.001 0.000 0.142 612 G HA3 0.195 4.155 3.960 0.001 0.000 0.142 612 G C 1.046 175.743 174.900 -0.339 0.000 1.783 612 G CA 0.527 45.436 45.100 -0.318 0.000 1.018 612 G HN 0.238 nan 8.290 nan 0.000 0.474 613 A N -0.368 122.195 122.820 -0.429 0.000 1.865 613 A HA 0.162 4.483 4.320 0.001 0.000 0.216 613 A C 1.454 178.810 177.584 -0.381 0.000 1.315 613 A CA 0.774 52.449 52.037 -0.604 0.000 0.605 613 A CB -0.711 17.600 19.000 -1.148 0.000 0.984 613 A HN 0.525 nan 8.150 nan 0.000 0.470 614 N N 1.489 119.993 118.700 -0.327 0.000 2.411 614 N HA 0.226 4.967 4.740 0.001 0.000 0.259 614 N C -2.894 172.557 175.510 -0.099 0.000 1.103 614 N CA -1.230 51.773 53.050 -0.077 0.000 0.954 614 N CB 1.132 39.662 38.487 0.071 0.000 1.085 614 N HN 0.067 nan 8.380 nan 0.000 0.485 615 P HA 0.157 nan 4.420 nan 0.000 0.216 615 P C 0.067 177.412 177.300 0.074 0.000 1.866 615 P CA -0.195 62.910 63.100 0.010 0.000 1.054 615 P CB 1.042 32.719 31.700 -0.039 0.000 1.821 616 V N 0.757 120.739 119.914 0.113 0.000 3.137 616 V HA 0.284 4.405 4.120 0.001 0.000 0.236 616 V C 1.323 177.491 176.094 0.123 0.000 1.260 616 V CA 0.408 62.785 62.300 0.129 0.000 1.244 616 V CB 0.064 31.958 31.823 0.118 0.000 1.016 616 V HN 0.085 nan 8.190 nan 0.000 0.477 617 I N 0.887 121.530 120.570 0.121 0.000 3.883 617 I HA 0.312 4.483 4.170 0.001 0.000 0.326 617 I C 0.560 176.702 176.117 0.042 0.000 1.283 617 I CA -0.087 61.208 61.300 -0.008 0.000 1.161 617 I CB 0.759 38.575 38.000 -0.306 0.000 1.012 617 I HN 0.353 nan 8.210 nan 0.000 0.421 618 L N 2.358 123.647 121.223 0.110 0.000 2.418 618 L HA 0.270 4.611 4.340 0.001 0.000 0.274 618 L C 0.134 177.067 176.870 0.105 0.000 1.135 618 L CA 0.732 55.657 54.840 0.142 0.000 0.870 618 L CB 0.305 42.442 42.059 0.130 0.000 1.154 618 L HN 0.181 nan 8.230 nan 0.000 0.462 619 T N 2.338 116.981 114.554 0.147 0.000 2.901 619 T HA 0.480 4.830 4.350 0.001 0.000 0.293 619 T C -0.102 174.749 174.700 0.251 0.000 1.084 619 T CA -1.059 61.131 62.100 0.151 0.000 1.008 619 T CB 1.063 69.987 68.868 0.092 0.000 1.170 619 T HN 0.758 nan 8.240 nan 0.000 0.509 620 R N -0.273 120.356 120.500 0.216 0.000 2.679 620 R HA 0.305 4.645 4.340 0.001 0.000 0.268 620 R C -0.441 175.788 176.300 -0.118 0.000 1.044 620 R CA -0.441 55.603 56.100 -0.093 0.000 1.105 620 R CB 0.061 30.274 30.300 -0.144 0.000 0.989 620 R HN 0.795 nan 8.270 nan 0.000 0.447 621 C N 4.904 124.059 119.300 -0.242 0.000 2.349 621 C HA 0.179 4.640 4.460 0.001 0.000 0.348 621 C C 0.738 175.664 174.990 -0.105 0.000 1.223 621 C CA -0.642 58.317 59.018 -0.098 0.000 1.746 621 C CB -0.505 27.206 27.740 -0.049 0.000 2.360 621 C HN 0.830 nan 8.230 nan 0.000 0.533 622 D N 2.796 123.164 120.400 -0.053 0.000 2.277 622 D HA 0.235 4.876 4.640 0.001 0.000 0.209 622 D C 0.456 176.743 176.300 -0.023 0.000 0.970 622 D CA 0.796 54.770 54.000 -0.044 0.000 0.874 622 D CB 0.498 41.281 40.800 -0.028 0.000 0.982 622 D HN 0.724 nan 8.370 nan 0.000 0.504 623 A N 0.337 123.155 122.820 -0.003 0.000 2.572 623 A HA 0.370 4.690 4.320 0.001 0.000 0.303 623 A C -1.369 176.239 177.584 0.040 0.000 1.059 623 A CA -0.777 51.267 52.037 0.010 0.000 0.788 623 A CB 0.198 19.203 19.000 0.007 0.000 1.282 623 A HN -0.014 nan 8.150 nan 0.000 0.397 624 L N 3.733 124.984 121.223 0.046 0.000 2.525 624 L HA 0.309 4.649 4.340 0.001 0.000 0.278 624 L C -1.290 175.644 176.870 0.107 0.000 1.218 624 L CA 0.069 54.966 54.840 0.094 0.000 0.878 624 L CB -0.470 41.613 42.059 0.041 0.000 1.127 624 L HN 0.617 nan 8.230 nan 0.000 0.492 625 P HA 0.112 nan 4.420 nan 0.000 0.276 625 P C 0.667 178.038 177.300 0.118 0.000 1.252 625 P CA -0.484 62.684 63.100 0.114 0.000 0.802 625 P CB 1.076 32.839 31.700 0.105 0.000 1.035 626 S N 1.792 117.538 115.700 0.077 0.000 2.414 626 S HA -0.242 4.228 4.470 0.001 0.000 0.238 626 S C 1.126 175.783 174.600 0.094 0.000 1.055 626 S CA 2.130 60.369 58.200 0.066 0.000 1.174 626 S CB -1.580 61.646 63.200 0.044 0.000 1.087 626 S HN 0.778 nan 8.310 nan 0.000 0.428 627 N N -0.436 118.321 118.700 0.096 0.000 2.906 627 N HA 0.094 4.834 4.740 0.001 0.000 0.282 627 N C -0.589 175.047 175.510 0.211 0.000 1.293 627 N CA -0.072 53.041 53.050 0.105 0.000 1.059 627 N CB -0.153 38.364 38.487 0.051 0.000 1.388 627 N HN 0.360 nan 8.380 nan 0.000 0.533 628 F N 1.133 121.089 119.950 0.010 0.000 2.946 628 F HA 0.305 4.833 4.527 0.001 0.000 0.399 628 F C -2.803 173.000 175.800 0.005 0.000 1.269 628 F CA -2.661 55.344 58.000 0.008 0.000 1.165 628 F CB 1.050 40.061 39.000 0.018 0.000 2.380 628 F HN 0.089 nan 8.300 nan 0.000 0.589 629 P HA 0.277 nan 4.420 nan 0.000 0.262 629 P C -0.658 176.585 177.300 -0.095 0.000 1.620 629 P CA 0.026 63.112 63.100 -0.023 0.000 1.089 629 P CB 1.124 32.837 31.700 0.021 0.000 1.601 630 V N 3.935 123.731 119.914 -0.197 0.000 2.333 630 V HA 0.194 4.314 4.120 0.001 0.000 0.274 630 V C 1.232 177.325 176.094 -0.002 0.000 1.028 630 V CA -0.473 61.730 62.300 -0.162 0.000 0.851 630 V CB 0.692 32.279 31.823 -0.393 0.000 1.000 630 V HN 0.545 nan 8.190 nan 0.000 0.456 631 T N 1.686 116.344 114.554 0.175 0.000 2.946 631 T HA 0.008 4.359 4.350 0.001 0.000 0.311 631 T C 1.059 175.732 174.700 -0.046 0.000 1.063 631 T CA -0.265 61.822 62.100 -0.021 0.000 1.139 631 T CB 0.225 68.951 68.868 -0.236 0.000 0.994 631 T HN 0.634 nan 8.240 nan 0.000 0.547 632 N N 1.875 120.531 118.700 -0.072 0.000 2.651 632 N HA -0.098 4.642 4.740 0.001 0.000 0.193 632 N C 1.127 176.589 175.510 -0.080 0.000 1.149 632 N CA 1.219 54.226 53.050 -0.071 0.000 0.933 632 N CB 0.050 38.496 38.487 -0.068 0.000 0.974 632 N HN 0.952 nan 8.380 nan 0.000 0.448 633 E N -1.826 118.319 120.200 -0.092 0.000 2.633 633 E HA 0.101 4.452 4.350 0.001 0.000 0.222 633 E C 1.081 177.641 176.600 -0.066 0.000 0.899 633 E CA -0.311 56.030 56.400 -0.098 0.000 1.292 633 E CB -0.294 29.331 29.700 -0.124 0.000 1.257 633 E HN 0.110 nan 8.360 nan 0.000 0.626 634 H N 1.440 120.470 119.070 -0.067 0.000 2.394 634 H HA -0.094 4.462 4.556 0.001 0.000 0.297 634 H C 2.061 177.380 175.328 -0.015 0.000 1.113 634 H CA 2.209 58.225 56.048 -0.052 0.000 1.277 634 H CB 0.405 30.104 29.762 -0.104 0.000 1.370 634 H HN 0.300 nan 8.280 nan 0.000 0.506 635 V N -1.334 118.622 119.914 0.070 0.000 3.483 635 V HA 0.143 4.264 4.120 0.001 0.000 0.301 635 V C 1.586 177.640 176.094 -0.067 0.000 1.389 635 V CA 0.485 62.784 62.300 -0.003 0.000 1.101 635 V CB 0.093 31.881 31.823 -0.059 0.000 0.971 635 V HN 0.088 nan 8.190 nan 0.000 0.434 636 N N 2.197 120.857 118.700 -0.067 0.000 2.289 636 N HA -0.050 4.690 4.740 0.001 0.000 0.184 636 N C 1.720 177.151 175.510 -0.132 0.000 1.016 636 N CA 1.752 54.733 53.050 -0.114 0.000 0.872 636 N CB -0.059 38.366 38.487 -0.104 0.000 0.973 636 N HN 0.613 nan 8.380 nan 0.000 0.433 637 A N -0.922 121.815 122.820 -0.139 0.000 1.929 637 A HA -0.037 4.283 4.320 0.001 0.000 0.216 637 A C 2.344 179.859 177.584 -0.115 0.000 1.176 637 A CA 1.608 53.535 52.037 -0.183 0.000 0.628 637 A CB -1.007 17.763 19.000 -0.384 0.000 0.816 637 A HN 0.362 nan 8.150 nan 0.000 0.444 638 S N -0.623 115.029 115.700 -0.080 0.000 2.368 638 S HA 0.054 4.524 4.470 0.001 0.000 0.224 638 S C 0.789 175.334 174.600 -0.092 0.000 1.029 638 S CA 0.166 58.345 58.200 -0.035 0.000 0.988 638 S CB -0.549 62.649 63.200 -0.005 0.000 0.838 638 S HN 0.416 nan 8.310 nan 0.000 0.462 639 L N 2.948 123.987 121.223 -0.306 0.000 2.534 639 L HA 0.115 4.456 4.340 0.001 0.000 0.271 639 L C 0.920 177.646 176.870 -0.238 0.000 1.178 639 L CA -0.032 54.443 54.840 -0.608 0.000 0.907 639 L CB 0.485 42.210 42.059 -0.556 0.000 1.164 639 L HN 0.448 nan 8.230 nan 0.000 0.482 640 D N 2.153 122.522 120.400 -0.052 0.000 2.469 640 D HA -0.002 4.638 4.640 0.001 0.000 0.213 640 D C 1.521 177.847 176.300 0.042 0.000 1.135 640 D CA -0.055 53.973 54.000 0.046 0.000 0.834 640 D CB 0.259 41.125 40.800 0.110 0.000 1.009 640 D HN 0.396 nan 8.370 nan 0.000 0.507 641 R N 0.437 120.972 120.500 0.058 0.000 2.057 641 R HA 0.189 4.529 4.340 0.001 0.000 0.229 641 R C 1.640 177.932 176.300 -0.014 0.000 1.136 641 R CA 1.928 58.041 56.100 0.022 0.000 0.952 641 R CB -0.040 30.273 30.300 0.021 0.000 0.848 641 R HN 0.388 nan 8.270 nan 0.000 0.430 642 G N -0.399 108.381 108.800 -0.033 0.000 3.211 642 G HA2 -0.138 3.823 3.960 0.001 0.000 0.202 642 G HA3 -0.138 3.823 3.960 0.001 0.000 0.202 642 G C -0.278 174.598 174.900 -0.039 0.000 1.035 642 G CA -0.600 44.479 45.100 -0.035 0.000 0.846 642 G HN 0.129 nan 8.290 nan 0.000 0.464 643 K N 1.040 121.420 120.400 -0.034 0.000 2.090 643 K HA 0.429 4.750 4.320 0.001 0.000 0.250 643 K C 0.372 176.937 176.600 -0.058 0.000 1.004 643 K CA -0.513 55.756 56.287 -0.031 0.000 0.919 643 K CB 0.972 33.472 32.500 -0.001 0.000 1.045 643 K HN 0.277 nan 8.250 nan 0.000 0.471 644 N N 0.839 119.508 118.700 -0.051 0.000 2.371 644 N HA -0.043 4.697 4.740 0.001 0.000 0.243 644 N C 1.128 176.595 175.510 -0.071 0.000 1.287 644 N CA -0.218 52.793 53.050 -0.066 0.000 0.911 644 N CB 0.518 38.974 38.487 -0.051 0.000 1.142 644 N HN 0.487 nan 8.380 nan 0.000 0.451 645 L N 1.659 122.830 121.223 -0.086 0.000 2.013 645 L HA -0.229 4.112 4.340 0.001 0.000 0.212 645 L C 1.409 178.254 176.870 -0.042 0.000 1.073 645 L CA 1.938 56.732 54.840 -0.078 0.000 0.753 645 L CB -0.404 41.606 42.059 -0.082 0.000 0.890 645 L HN 0.626 nan 8.230 nan 0.000 0.432 646 D N 0.135 120.512 120.400 -0.039 0.000 2.144 646 D HA -0.185 4.455 4.640 0.001 0.000 0.199 646 D C 1.666 177.957 176.300 -0.015 0.000 0.984 646 D CA 1.450 55.433 54.000 -0.027 0.000 0.834 646 D CB -0.164 40.619 40.800 -0.028 0.000 0.955 646 D HN 0.579 nan 8.370 nan 0.000 0.465 647 E N 0.221 120.414 120.200 -0.013 0.000 2.335 647 E HA -0.035 4.315 4.350 0.001 0.000 0.191 647 E C 0.928 177.548 176.600 0.033 0.000 1.150 647 E CA 0.163 56.565 56.400 0.004 0.000 1.001 647 E CB 0.328 30.027 29.700 -0.002 0.000 1.127 647 E HN 0.238 nan 8.360 nan 0.000 0.462 648 E N -0.474 119.748 120.200 0.037 0.000 2.717 648 E HA 0.027 4.377 4.350 0.001 0.000 0.204 648 E C 1.871 178.505 176.600 0.057 0.000 0.911 648 E CA -0.039 56.422 56.400 0.102 0.000 1.370 648 E CB 0.143 29.911 29.700 0.113 0.000 1.315 648 E HN 0.139 nan 8.360 nan 0.000 0.643 649 I N 2.240 122.816 120.570 0.010 0.000 2.300 649 I HA -0.295 3.876 4.170 0.001 0.000 0.252 649 I C 2.069 178.153 176.117 -0.054 0.000 1.119 649 I CA 1.474 62.754 61.300 -0.034 0.000 1.384 649 I CB -0.913 37.070 38.000 -0.029 0.000 1.062 649 I HN 0.092 nan 8.210 nan 0.000 0.426 650 K N 1.027 121.411 120.400 -0.027 0.000 1.973 650 K HA -0.165 4.155 4.320 0.001 0.000 0.210 650 K C 1.611 178.183 176.600 -0.048 0.000 1.045 650 K CA 1.914 58.183 56.287 -0.031 0.000 0.937 650 K CB -0.304 32.190 32.500 -0.010 0.000 0.721 650 K HN 0.296 nan 8.250 nan 0.000 0.438 651 D N -1.045 119.346 120.400 -0.015 0.000 2.351 651 D HA -0.048 4.592 4.640 0.001 0.000 0.216 651 D C 1.082 177.215 176.300 -0.279 0.000 0.968 651 D CA 1.237 55.206 54.000 -0.051 0.000 0.899 651 D CB 0.190 41.076 40.800 0.142 0.000 0.907 651 D HN 0.541 nan 8.370 nan 0.000 0.514 652 G N -0.283 108.371 108.800 -0.243 0.000 2.284 652 G HA2 -0.311 3.650 3.960 0.001 0.000 0.216 652 G HA3 -0.311 3.650 3.960 0.001 0.000 0.216 652 G C 1.014 175.694 174.900 -0.367 0.000 1.009 652 G CA 0.115 45.011 45.100 -0.340 0.000 0.625 652 G HN 0.393 nan 8.290 nan 0.000 0.501 653 H N 0.488 119.559 119.070 0.002 0.000 2.489 653 H HA 0.072 4.628 4.556 0.001 0.000 0.295 653 H C 1.423 176.858 175.328 0.179 0.000 1.082 653 H CA 1.207 57.328 56.048 0.123 0.000 1.295 653 H CB 0.176 30.029 29.762 0.151 0.000 1.380 653 H HN 0.391 nan 8.280 nan 0.000 0.548 654 I N 1.400 122.057 120.570 0.146 0.000 2.331 654 I HA 0.094 4.265 4.170 0.001 0.000 0.292 654 I C -0.602 175.449 176.117 -0.110 0.000 0.998 654 I CA -0.244 61.153 61.300 0.162 0.000 1.267 654 I CB 0.726 38.820 38.000 0.155 0.000 1.386 654 I HN -0.093 nan 8.210 nan 0.000 0.476 655 Y N 6.363 126.764 120.300 0.169 0.000 2.468 655 Y HA 0.604 5.155 4.550 0.001 0.000 0.342 655 Y C -0.119 175.924 175.900 0.238 0.000 1.021 655 Y CA -0.786 57.397 58.100 0.139 0.000 1.079 655 Y CB 2.068 40.560 38.460 0.053 0.000 1.226 655 Y HN 0.358 nan 8.280 nan 0.000 0.460 656 I N 2.603 123.372 120.570 0.332 0.000 2.545 656 I HA 0.644 4.815 4.170 0.001 0.000 0.292 656 I C -1.784 174.517 176.117 0.306 0.000 1.040 656 I CA -0.990 60.508 61.300 0.330 0.000 1.068 656 I CB 1.533 39.691 38.000 0.263 0.000 1.251 656 I HN 0.463 nan 8.210 nan 0.000 0.424 657 V N 6.974 127.105 119.914 0.361 0.000 2.435 657 V HA 0.510 4.630 4.120 0.001 0.000 0.290 657 V C -1.025 175.247 176.094 0.296 0.000 1.030 657 V CA -0.160 62.350 62.300 0.351 0.000 0.881 657 V CB 1.747 33.897 31.823 0.545 0.000 0.983 657 V HN 0.777 nan 8.190 nan 0.000 0.445 658 D N 4.523 125.045 120.400 0.204 0.000 2.505 658 D HA 0.341 4.982 4.640 0.001 0.000 0.249 658 D C -0.504 175.870 176.300 0.122 0.000 1.082 658 D CA -0.341 53.742 54.000 0.138 0.000 0.839 658 D CB 1.704 42.517 40.800 0.022 0.000 1.317 658 D HN 0.365 nan 8.370 nan 0.000 0.497 659 F N 2.564 122.442 119.950 -0.119 0.000 2.750 659 F HA 0.283 4.810 4.527 0.001 0.000 0.297 659 F C 2.060 177.811 175.800 -0.082 0.000 1.138 659 F CA -0.380 57.531 58.000 -0.148 0.000 1.346 659 F CB 0.196 39.155 39.000 -0.068 0.000 0.965 659 F HN 0.311 nan 8.300 nan 0.000 0.514 660 K N 0.251 120.670 120.400 0.033 0.000 2.117 660 K HA -0.258 4.062 4.320 0.001 0.000 0.215 660 K C 2.124 178.751 176.600 0.045 0.000 1.053 660 K CA 2.157 58.458 56.287 0.023 0.000 0.935 660 K CB -0.510 31.982 32.500 -0.012 0.000 0.719 660 K HN 0.353 nan 8.250 nan 0.000 0.460 661 V N -0.745 119.171 119.914 0.002 0.000 3.241 661 V HA -0.091 4.030 4.120 0.001 0.000 0.269 661 V C 1.430 177.643 176.094 0.200 0.000 1.151 661 V CA 1.341 63.657 62.300 0.027 0.000 1.158 661 V CB -0.369 31.430 31.823 -0.040 0.000 0.764 661 V HN 0.232 nan 8.190 nan 0.000 0.508 662 L N 0.407 121.817 121.223 0.312 0.000 2.629 662 L HA 0.327 4.668 4.340 0.001 0.000 0.230 662 L C 0.459 177.504 176.870 0.292 0.000 1.151 662 L CA -0.134 54.996 54.840 0.484 0.000 0.924 662 L CB 0.606 42.946 42.059 0.468 0.000 1.137 662 L HN 0.219 nan 8.230 nan 0.000 0.457 663 V N -0.115 119.918 119.914 0.198 0.000 2.607 663 V HA 0.451 4.572 4.120 0.001 0.000 0.289 663 V C 1.229 177.402 176.094 0.131 0.000 1.053 663 V CA 0.472 62.851 62.300 0.132 0.000 0.996 663 V CB 1.035 32.907 31.823 0.082 0.000 0.995 663 V HN 0.489 nan 8.190 nan 0.000 0.476 664 G N 3.527 112.391 108.800 0.106 0.000 2.157 664 G HA2 -0.101 3.859 3.960 0.001 0.000 0.239 664 G HA3 -0.101 3.859 3.960 0.001 0.000 0.239 664 G C 0.360 175.330 174.900 0.116 0.000 0.982 664 G CA 0.030 45.186 45.100 0.092 0.000 0.650 664 G HN 1.472 nan 8.290 nan 0.000 0.527 665 A N 0.224 123.131 122.820 0.146 0.000 2.454 665 A HA 0.605 4.926 4.320 0.001 0.000 0.260 665 A C 0.503 178.138 177.584 0.085 0.000 1.106 665 A CA 0.643 52.770 52.037 0.150 0.000 0.780 665 A CB 0.428 19.519 19.000 0.151 0.000 1.044 665 A HN 0.512 nan 8.150 nan 0.000 0.498 666 K N 2.980 123.425 120.400 0.075 0.000 2.240 666 K HA 0.437 4.758 4.320 0.001 0.000 0.271 666 K C 0.083 176.711 176.600 0.047 0.000 1.018 666 K CA -0.379 55.935 56.287 0.045 0.000 0.874 666 K CB 0.717 33.242 32.500 0.042 0.000 1.098 666 K HN 0.784 nan 8.250 nan 0.000 0.458 667 S N 2.322 118.039 115.700 0.028 0.000 2.307 667 S HA 0.141 4.612 4.470 0.001 0.000 0.252 667 S C -0.924 173.750 174.600 0.124 0.000 1.204 667 S CA -0.398 57.834 58.200 0.052 0.000 1.018 667 S CB -0.065 63.135 63.200 -0.000 0.000 1.077 667 S HN 0.602 nan 8.310 nan 0.000 0.454 668 Y N 0.674 120.955 120.300 -0.033 0.000 2.356 668 Y HA 0.544 5.095 4.550 0.001 0.000 0.334 668 Y C 0.567 176.439 175.900 -0.048 0.000 0.958 668 Y CA -0.183 57.904 58.100 -0.022 0.000 1.196 668 Y CB 0.521 38.979 38.460 -0.003 0.000 1.137 668 Y HN 0.784 nan 8.280 nan 0.000 0.485 669 G N 2.566 111.181 108.800 -0.307 0.000 2.227 669 G HA2 0.091 4.052 3.960 0.001 0.000 0.168 669 G HA3 0.091 4.052 3.960 0.001 0.000 0.168 669 G C 0.745 175.526 174.900 -0.197 0.000 1.006 669 G CA 0.083 44.969 45.100 -0.356 0.000 0.684 669 G HN 1.858 nan 8.290 nan 0.000 0.489 670 G N -0.853 107.863 108.800 -0.140 0.000 2.255 670 G HA2 0.001 3.962 3.960 0.001 0.000 0.196 670 G HA3 0.001 3.962 3.960 0.001 0.000 0.196 670 G C -1.540 173.297 174.900 -0.105 0.000 0.998 670 G CA 0.326 45.366 45.100 -0.100 0.000 0.656 670 G HN 1.092 nan 8.290 nan 0.000 0.490 671 P HA 0.547 nan 4.420 nan 0.000 0.280 671 P C 0.547 177.786 177.300 -0.102 0.000 1.386 671 P CA -0.369 62.615 63.100 -0.194 0.000 0.899 671 P CB 0.943 32.342 31.700 -0.501 0.000 1.098 672 V N 2.066 121.955 119.914 -0.041 0.000 3.185 672 V HA 0.318 4.438 4.120 0.001 0.000 0.305 672 V C 0.353 176.458 176.094 0.017 0.000 1.090 672 V CA -0.661 61.638 62.300 -0.002 0.000 1.107 672 V CB 0.320 32.149 31.823 0.010 0.000 1.061 672 V HN 0.223 nan 8.190 nan 0.000 0.480 673 L N 1.599 122.846 121.223 0.040 0.000 2.342 673 L HA 0.719 5.060 4.340 0.001 0.000 0.271 673 L C -0.305 176.594 176.870 0.048 0.000 1.008 673 L CA 0.041 54.913 54.840 0.053 0.000 0.818 673 L CB 1.888 43.992 42.059 0.075 0.000 1.296 673 L HN 0.981 nan 8.230 nan 0.000 0.427 674 E N 0.388 120.612 120.200 0.040 0.000 2.392 674 E HA 0.377 4.728 4.350 0.001 0.000 0.269 674 E C -0.197 176.420 176.600 0.029 0.000 0.924 674 E CA -0.658 55.762 56.400 0.034 0.000 0.784 674 E CB 0.773 30.489 29.700 0.026 0.000 1.292 674 E HN 0.484 nan 8.360 nan 0.000 0.447 675 D N 0.668 121.083 120.400 0.025 0.000 2.204 675 D HA -0.215 4.425 4.640 0.001 0.000 0.189 675 D C 0.951 177.258 176.300 0.010 0.000 1.006 675 D CA 1.622 55.633 54.000 0.018 0.000 0.855 675 D CB -0.358 40.452 40.800 0.015 0.000 0.946 675 D HN 0.508 nan 8.370 nan 0.000 0.448 676 I N 0.437 121.014 120.570 0.011 0.000 3.496 676 I HA 0.182 4.353 4.170 0.001 0.000 0.301 676 I C 1.259 177.377 176.117 0.003 0.000 1.217 676 I CA -0.117 61.188 61.300 0.007 0.000 1.258 676 I CB -1.585 36.420 38.000 0.009 0.000 1.047 676 I HN 0.077 nan 8.210 nan 0.000 0.502 689 A N 1.741 124.548 122.820 -0.021 0.000 1.998 689 A HA 0.216 4.537 4.320 0.001 0.000 0.180 689 A C -0.387 177.186 177.584 -0.019 0.000 1.858 689 A CA 0.333 52.360 52.037 -0.018 0.000 1.403 689 A CB 0.626 19.619 19.000 -0.012 0.000 1.550 689 A HN 0.259 nan 8.150 nan 0.000 0.385 690 D N -0.386 119.994 120.400 -0.034 0.000 2.470 690 D HA 0.572 5.212 4.640 0.001 0.000 0.233 690 D C -1.584 174.662 176.300 -0.089 0.000 1.372 690 D CA 0.196 54.180 54.000 -0.027 0.000 0.994 690 D CB 0.965 41.780 40.800 0.024 0.000 1.377 690 D HN 0.270 nan 8.370 nan 0.000 0.586 691 I N 2.564 123.112 120.570 -0.037 0.000 2.692 691 I HA 0.499 4.669 4.170 0.001 0.000 0.293 691 I C -1.222 174.916 176.117 0.035 0.000 1.200 691 I CA -0.568 60.698 61.300 -0.057 0.000 1.036 691 I CB 1.475 39.453 38.000 -0.037 0.000 1.258 691 I HN 0.209 nan 8.210 nan 0.000 0.421 692 R N 5.935 126.423 120.500 -0.020 0.000 2.599 692 R HA 0.577 4.918 4.340 0.001 0.000 0.295 692 R C -1.820 174.464 176.300 -0.026 0.000 0.963 692 R CA -0.758 55.385 56.100 0.072 0.000 0.883 692 R CB 2.103 32.474 30.300 0.118 0.000 1.171 692 R HN 0.398 nan 8.270 nan 0.000 0.450 693 Y N 0.003 120.373 120.300 0.118 0.000 2.587 693 Y HA 0.612 5.162 4.550 0.001 0.000 0.337 693 Y C 0.320 176.377 175.900 0.263 0.000 1.065 693 Y CA -0.553 57.669 58.100 0.204 0.000 1.126 693 Y CB 1.978 40.632 38.460 0.323 0.000 1.279 693 Y HN 0.579 nan 8.280 nan 0.000 0.489 694 C N 0.275 119.868 119.300 0.487 0.000 3.258 694 C HA 0.958 5.419 4.460 0.001 0.000 0.376 694 C C -1.393 173.801 174.990 0.340 0.000 1.869 694 C CA -0.076 59.195 59.018 0.421 0.000 1.189 694 C CB 1.149 29.022 27.740 0.222 0.000 2.230 694 C HN 1.048 nan 8.230 nan 0.000 0.432 695 A N -0.123 122.844 122.820 0.245 0.000 2.612 695 A HA 0.842 5.162 4.320 0.001 0.000 0.293 695 A C -1.091 176.563 177.584 0.117 0.000 1.075 695 A CA 0.356 52.450 52.037 0.095 0.000 0.680 695 A CB 0.772 19.777 19.000 0.009 0.000 1.279 695 A HN 2.119 nan 8.150 nan 0.000 0.411 696 A N 2.013 124.878 122.820 0.075 0.000 3.218 696 A HA 0.682 5.003 4.320 0.001 0.000 0.321 696 A C -2.504 175.112 177.584 0.053 0.000 1.012 696 A CA -1.328 50.790 52.037 0.136 0.000 0.948 696 A CB -0.257 18.834 19.000 0.152 0.000 1.050 696 A HN 0.511 nan 8.150 nan 0.000 0.492 697 P HA 0.492 nan 4.420 nan 0.000 0.275 697 P C -0.771 176.460 177.300 -0.116 0.000 1.266 697 P CA -0.167 62.870 63.100 -0.105 0.000 0.793 697 P CB 1.112 32.736 31.700 -0.126 0.000 1.074 698 L N -0.371 120.721 121.223 -0.218 0.000 2.371 698 L HA 0.796 5.137 4.340 0.001 0.000 0.262 698 L C -0.150 176.653 176.870 -0.111 0.000 1.006 698 L CA -0.672 53.974 54.840 -0.323 0.000 0.818 698 L CB 1.623 43.047 42.059 -1.058 0.000 1.354 698 L HN 0.577 nan 8.230 nan 0.000 0.415 699 A N 1.847 124.729 122.820 0.103 0.000 2.594 699 A HA 0.871 5.192 4.320 0.001 0.000 0.295 699 A C -2.023 175.668 177.584 0.179 0.000 1.071 699 A CA -0.395 51.740 52.037 0.163 0.000 0.685 699 A CB 1.403 20.360 19.000 -0.071 0.000 1.285 699 A HN 0.453 nan 8.150 nan 0.000 0.405 700 L N 0.855 122.099 121.223 0.034 0.000 2.334 700 L HA 0.796 5.137 4.340 0.001 0.000 0.276 700 L C -1.154 175.586 176.870 -0.217 0.000 1.014 700 L CA 0.015 54.880 54.840 0.041 0.000 0.815 700 L CB 1.322 43.417 42.059 0.059 0.000 1.268 700 L HN 0.615 nan 8.230 nan 0.000 0.428 701 F N 2.359 122.405 119.950 0.160 0.000 2.540 701 F HA 0.428 4.955 4.527 0.001 0.000 0.317 701 F C -0.812 175.138 175.800 0.251 0.000 1.104 701 F CA -0.681 57.413 58.000 0.158 0.000 0.913 701 F CB 1.636 40.676 39.000 0.067 0.000 1.170 701 F HN 0.300 nan 8.300 nan 0.000 0.450 702 Y N 3.153 123.617 120.300 0.273 0.000 2.328 702 Y HA 0.653 5.204 4.550 0.001 0.000 0.336 702 Y C -1.122 174.900 175.900 0.203 0.000 0.960 702 Y CA -1.396 56.831 58.100 0.212 0.000 1.134 702 Y CB 1.246 39.777 38.460 0.118 0.000 1.166 702 Y HN 0.344 nan 8.280 nan 0.000 0.464 703 V N 7.630 127.352 119.914 -0.321 0.000 2.409 703 V HA -0.047 4.073 4.120 0.001 0.000 0.270 703 V C 0.823 176.392 176.094 -0.875 0.000 1.019 703 V CA -0.023 62.060 62.300 -0.362 0.000 1.066 703 V CB -0.489 31.322 31.823 -0.020 0.000 1.021 703 V HN 0.872 nan 8.190 nan 0.000 0.476 704 N N 4.435 122.777 118.700 -0.597 0.000 2.307 704 N HA 0.015 4.755 4.740 0.001 0.000 0.230 704 N C 1.008 176.320 175.510 -0.330 0.000 1.297 704 N CA -0.060 52.724 53.050 -0.444 0.000 0.884 704 N CB 0.520 38.876 38.487 -0.220 0.000 1.115 704 N HN 0.554 nan 8.380 nan 0.000 0.436 705 K N 1.736 122.018 120.400 -0.197 0.000 2.555 705 K HA -0.012 4.309 4.320 0.001 0.000 0.193 705 K C 1.093 177.596 176.600 -0.162 0.000 1.032 705 K CA 0.301 56.499 56.287 -0.148 0.000 1.004 705 K CB 0.162 32.616 32.500 -0.077 0.000 0.804 705 K HN 0.507 nan 8.250 nan 0.000 0.496 706 L N -0.895 120.176 121.223 -0.254 0.000 2.672 706 L HA 0.142 4.483 4.340 0.001 0.000 0.236 706 L C 0.537 177.151 176.870 -0.427 0.000 1.092 706 L CA 0.187 54.817 54.840 -0.351 0.000 0.887 706 L CB 0.780 42.541 42.059 -0.496 0.000 1.168 706 L HN 0.341 nan 8.230 nan 0.000 0.502 707 G N 0.299 108.890 108.800 -0.348 0.000 2.288 707 G HA2 -0.206 3.754 3.960 0.001 0.000 0.205 707 G HA3 -0.206 3.754 3.960 0.001 0.000 0.205 707 G C -0.355 174.520 174.900 -0.043 0.000 1.071 707 G CA -0.451 44.549 45.100 -0.167 0.000 0.788 707 G HN 0.529 nan 8.290 nan 0.000 0.491 708 H N -1.095 117.918 119.070 -0.095 0.000 2.547 708 H HA 0.476 5.033 4.556 0.001 0.000 0.342 708 H C -0.237 175.054 175.328 -0.061 0.000 1.048 708 H CA -1.150 54.842 56.048 -0.093 0.000 1.204 708 H CB 2.152 31.838 29.762 -0.126 0.000 1.493 708 H HN 0.161 nan 8.280 nan 0.000 0.511 709 L N 4.727 126.008 121.223 0.096 0.000 2.454 709 L HA 0.135 4.476 4.340 0.001 0.000 0.284 709 L C -0.708 176.287 176.870 0.209 0.000 1.139 709 L CA 0.267 55.156 54.840 0.082 0.000 0.911 709 L CB -0.244 41.778 42.059 -0.061 0.000 1.262 709 L HN 0.585 nan 8.230 nan 0.000 0.453 710 M N 7.463 127.228 119.600 0.275 0.000 2.238 710 M HA 0.428 4.909 4.480 0.001 0.000 0.350 710 M C -2.348 174.179 176.300 0.378 0.000 1.138 710 M CA -1.871 53.618 55.300 0.315 0.000 1.040 710 M CB 1.457 34.199 32.600 0.237 0.000 1.639 710 M HN 0.295 nan 8.290 nan 0.000 0.451 711 P HA 0.165 nan 4.420 nan 0.000 0.271 711 P C 0.227 177.641 177.300 0.189 0.000 1.220 711 P CA 0.044 63.128 63.100 -0.028 0.000 0.768 711 P CB 0.604 32.389 31.700 0.142 0.000 0.848 712 I N 0.380 120.979 120.570 0.048 0.000 4.124 712 I HA 0.569 4.740 4.170 0.001 0.000 0.311 712 I C 0.296 176.403 176.117 -0.017 0.000 1.259 712 I CA -0.193 61.122 61.300 0.024 0.000 1.315 712 I CB 0.569 38.595 38.000 0.043 0.000 1.223 712 I HN 0.200 nan 8.210 nan 0.000 0.441 713 A N 1.767 124.621 122.820 0.056 0.000 2.540 713 A HA 0.807 5.128 4.320 0.001 0.000 0.297 713 A C -1.234 176.480 177.584 0.217 0.000 1.056 713 A CA -0.364 51.733 52.037 0.101 0.000 0.700 713 A CB 1.263 20.224 19.000 -0.066 0.000 1.280 713 A HN 0.269 nan 8.150 nan 0.000 0.398 714 I N 1.289 122.073 120.570 0.358 0.000 2.499 714 I HA 0.467 4.638 4.170 0.001 0.000 0.288 714 I C -0.273 176.095 176.117 0.417 0.000 1.048 714 I CA -0.425 61.068 61.300 0.322 0.000 1.062 714 I CB 2.230 40.348 38.000 0.198 0.000 1.238 714 I HN 0.798 nan 8.210 nan 0.000 0.426 715 Q N 5.262 125.283 119.800 0.369 0.000 2.322 715 Q HA 0.483 4.824 4.340 0.001 0.000 0.265 715 Q C 0.146 176.221 176.000 0.125 0.000 0.985 715 Q CA -0.576 55.415 55.803 0.313 0.000 0.849 715 Q CB 1.994 30.950 28.738 0.364 0.000 1.274 715 Q HN 0.747 nan 8.270 nan 0.000 0.449 716 I N 2.137 122.784 120.570 0.127 0.000 2.394 716 I HA -0.085 4.085 4.170 0.001 0.000 0.251 716 I C 0.719 176.782 176.117 -0.090 0.000 1.136 716 I CA 0.704 61.973 61.300 -0.052 0.000 1.425 716 I CB -0.119 37.744 38.000 -0.227 0.000 1.079 716 I HN 0.526 nan 8.210 nan 0.000 0.425 717 N N -0.859 117.809 118.700 -0.053 0.000 2.774 717 N HA 0.187 4.928 4.740 0.001 0.000 0.264 717 N C 0.126 175.609 175.510 -0.045 0.000 1.415 717 N CA -0.605 52.412 53.050 -0.055 0.000 0.815 717 N CB 1.628 40.079 38.487 -0.060 0.000 1.514 717 N HN -0.122 nan 8.380 nan 0.000 0.523 718 Q N 1.116 120.896 119.800 -0.032 0.000 1.921 718 Q HA -0.062 4.279 4.340 0.001 0.000 0.208 718 Q C -0.266 175.727 176.000 -0.011 0.000 0.994 718 Q CA 1.586 57.370 55.803 -0.031 0.000 0.857 718 Q CB -0.349 28.384 28.738 -0.009 0.000 0.925 718 Q HN 0.557 nan 8.270 nan 0.000 0.421 719 E N 2.305 122.507 120.200 0.003 0.000 2.257 719 E HA 0.167 4.518 4.350 0.001 0.000 0.278 719 E C -2.134 174.477 176.600 0.019 0.000 1.049 719 E CA -1.551 54.858 56.400 0.015 0.000 0.876 719 E CB 0.743 30.451 29.700 0.013 0.000 1.035 719 E HN 0.174 nan 8.360 nan 0.000 0.419 720 P HA 0.436 nan 4.420 nan 0.000 0.282 720 P C -0.215 177.092 177.300 0.013 0.000 1.287 720 P CA -0.414 62.706 63.100 0.033 0.000 0.792 720 P CB 0.978 32.713 31.700 0.059 0.000 1.163 721 G N -1.362 107.437 108.800 -0.001 0.000 2.327 721 G HA2 0.264 4.224 3.960 0.001 0.000 0.291 721 G HA3 0.264 4.224 3.960 0.001 0.000 0.291 721 G C -2.821 172.060 174.900 -0.032 0.000 1.290 721 G CA -0.627 44.466 45.100 -0.011 0.000 0.857 721 G HN 0.248 nan 8.290 nan 0.000 0.520 722 P HA 0.240 nan 4.420 nan 0.000 0.253 722 P C 0.618 177.890 177.300 -0.046 0.000 1.260 722 P CA 0.698 63.767 63.100 -0.051 0.000 0.800 722 P CB 0.481 32.158 31.700 -0.037 0.000 1.162 723 E N -1.011 119.173 120.200 -0.026 0.000 2.434 723 E HA 0.080 4.431 4.350 0.001 0.000 0.207 723 E C 0.409 177.016 176.600 0.012 0.000 0.929 723 E CA 0.091 56.488 56.400 -0.005 0.000 1.001 723 E CB 0.155 29.855 29.700 -0.000 0.000 1.016 723 E HN 0.052 nan 8.360 nan 0.000 0.502 724 N N 1.507 120.207 118.700 0.000 0.000 2.844 724 N HA 0.135 4.875 4.740 0.001 0.000 0.268 724 N C -2.702 172.803 175.510 -0.009 0.000 1.574 724 N CA -1.842 51.225 53.050 0.028 0.000 0.838 724 N CB 0.907 39.404 38.487 0.017 0.000 1.177 724 N HN -0.112 nan 8.380 nan 0.000 0.495 725 P HA 0.290 nan 4.420 nan 0.000 0.312 725 P C -0.395 176.708 177.300 -0.330 0.000 1.308 725 P CA -0.435 62.502 63.100 -0.272 0.000 0.743 725 P CB 1.560 32.978 31.700 -0.471 0.000 1.364 726 I N -0.518 119.807 120.570 -0.409 0.000 2.331 726 I HA 0.221 4.392 4.170 0.001 0.000 0.292 726 I C -0.390 175.462 176.117 -0.441 0.000 0.998 726 I CA -0.459 60.649 61.300 -0.320 0.000 1.267 726 I CB 0.524 38.256 38.000 -0.447 0.000 1.386 726 I HN 0.233 nan 8.210 nan 0.000 0.476 727 W N 5.082 126.380 121.300 -0.004 0.000 2.478 727 W HA 0.498 5.158 4.660 0.001 0.000 0.318 727 W C 0.304 176.859 176.519 0.061 0.000 1.062 727 W CA -0.556 56.833 57.345 0.073 0.000 1.210 727 W CB 1.497 31.093 29.460 0.225 0.000 1.325 727 W HN 0.367 nan 8.180 nan 0.000 0.496 728 T N -0.478 114.050 114.554 -0.045 0.000 2.940 728 T HA 0.408 4.759 4.350 0.001 0.000 0.288 728 T C -2.189 171.807 174.700 -1.173 0.000 1.033 728 T CA -2.520 59.242 62.100 -0.563 0.000 1.033 728 T CB 2.100 70.469 68.868 -0.832 0.000 1.079 728 T HN 0.070 nan 8.240 nan 0.000 0.496 729 P HA 0.073 nan 4.420 nan 0.000 0.251 729 P C 0.041 176.830 177.300 -0.851 0.000 1.251 729 P CA 0.672 62.494 63.100 -2.129 0.000 0.763 729 P CB -0.732 30.285 31.700 -1.138 0.000 1.067 730 H N -3.968 114.799 119.070 -0.504 0.000 2.885 730 H HA 0.298 4.855 4.556 0.001 0.000 0.237 730 H C -0.128 175.146 175.328 -0.089 0.000 1.229 730 H CA -0.672 55.239 56.048 -0.228 0.000 0.947 730 H CB -0.454 29.198 29.762 -0.182 0.000 2.223 730 H HN -0.183 nan 8.280 nan 0.000 0.628 731 E N 1.644 121.772 120.200 -0.119 0.000 2.467 731 E HA -0.073 4.278 4.350 0.001 0.000 0.264 731 E C 0.591 177.246 176.600 0.091 0.000 1.020 731 E CA 0.301 56.727 56.400 0.044 0.000 0.945 731 E CB 1.098 30.926 29.700 0.214 0.000 0.942 731 E HN 0.679 nan 8.360 nan 0.000 0.449 732 E N 1.317 121.575 120.200 0.096 0.000 2.085 732 E HA -0.169 4.181 4.350 0.001 0.000 0.194 732 E C 0.759 177.420 176.600 0.102 0.000 0.994 732 E CA 0.712 57.166 56.400 0.089 0.000 0.801 732 E CB 0.088 29.832 29.700 0.075 0.000 0.743 732 E HN 0.310 nan 8.360 nan 0.000 0.453 733 N N 1.210 119.993 118.700 0.137 0.000 2.406 733 N HA -0.032 4.708 4.740 0.001 0.000 0.251 733 N C 0.105 175.717 175.510 0.169 0.000 1.069 733 N CA 0.193 53.347 53.050 0.173 0.000 0.947 733 N CB 0.952 39.568 38.487 0.215 0.000 1.111 733 N HN 0.110 nan 8.380 nan 0.000 0.497 734 E N 2.244 122.488 120.200 0.073 0.000 2.204 734 E HA -0.155 4.196 4.350 0.001 0.000 0.194 734 E C 0.835 177.460 176.600 0.042 0.000 0.989 734 E CA 0.803 57.228 56.400 0.041 0.000 0.824 734 E CB 0.014 29.682 29.700 -0.053 0.000 0.756 734 E HN 0.663 nan 8.360 nan 0.000 0.477 735 H N 1.145 120.282 119.070 0.113 0.000 2.457 735 H HA -0.116 4.441 4.556 0.001 0.000 0.297 735 H C 1.417 176.774 175.328 0.048 0.000 1.092 735 H CA 1.207 57.297 56.048 0.071 0.000 1.309 735 H CB 0.004 29.799 29.762 0.056 0.000 1.382 735 H HN 0.225 nan 8.280 nan 0.000 0.535 736 D N 0.520 121.042 120.400 0.205 0.000 2.084 736 D HA -0.192 4.448 4.640 0.001 0.000 0.194 736 D C 2.097 178.402 176.300 0.008 0.000 0.990 736 D CA 0.629 54.687 54.000 0.096 0.000 0.826 736 D CB -0.752 40.280 40.800 0.387 0.000 0.971 736 D HN 0.485 nan 8.370 nan 0.000 0.453 737 W N 1.516 122.803 121.300 -0.023 0.000 2.311 737 W HA -0.268 4.393 4.660 0.001 0.000 0.326 737 W C 2.248 178.668 176.519 -0.165 0.000 1.239 737 W CA 1.161 58.469 57.345 -0.061 0.000 1.258 737 W CB -0.241 29.204 29.460 -0.025 0.000 1.165 737 W HN -0.053 nan 8.180 nan 0.000 0.466 738 M N 0.056 119.538 119.600 -0.197 0.000 2.143 738 M HA -0.323 4.158 4.480 0.001 0.000 0.258 738 M C 2.192 178.228 176.300 -0.439 0.000 1.071 738 M CA 2.221 57.263 55.300 -0.430 0.000 1.088 738 M CB -0.886 31.596 32.600 -0.196 0.000 1.360 738 M HN 0.128 nan 8.290 nan 0.000 0.404 739 M N 0.665 120.154 119.600 -0.185 0.000 2.132 739 M HA -0.054 4.426 4.480 0.001 0.000 0.263 739 M C 2.282 178.486 176.300 -0.160 0.000 1.065 739 M CA 2.023 57.280 55.300 -0.070 0.000 1.122 739 M CB -0.441 32.111 32.600 -0.080 0.000 1.365 739 M HN 0.225 nan 8.290 nan 0.000 0.411 740 A N 0.150 122.743 122.820 -0.377 0.000 1.883 740 A HA -0.234 4.087 4.320 0.001 0.000 0.217 740 A C 2.154 179.520 177.584 -0.363 0.000 1.186 740 A CA 2.160 53.977 52.037 -0.367 0.000 0.624 740 A CB -0.776 17.940 19.000 -0.473 0.000 0.822 740 A HN 0.584 nan 8.150 nan 0.000 0.444 741 K N -1.266 118.690 120.400 -0.740 0.000 2.034 741 K HA -0.211 4.110 4.320 0.001 0.000 0.214 741 K C 1.749 177.966 176.600 -0.637 0.000 1.051 741 K CA 2.028 57.746 56.287 -0.948 0.000 0.931 741 K CB -0.491 31.134 32.500 -1.458 0.000 0.715 741 K HN 0.554 nan 8.250 nan 0.000 0.446 742 F N -0.401 119.257 119.950 -0.486 0.000 2.065 742 F HA -0.271 4.257 4.527 0.001 0.000 0.298 742 F C 2.316 177.939 175.800 -0.294 0.000 1.112 742 F CA 1.152 58.907 58.000 -0.409 0.000 1.212 742 F CB -0.434 38.264 39.000 -0.502 0.000 0.975 742 F HN 0.180 nan 8.300 nan 0.000 0.476 743 W N -0.089 121.208 121.300 -0.006 0.000 2.311 743 W HA -0.266 4.394 4.660 0.001 0.000 0.326 743 W C 2.353 178.849 176.519 -0.037 0.000 1.239 743 W CA 0.778 58.101 57.345 -0.038 0.000 1.258 743 W CB -1.182 28.220 29.460 -0.097 0.000 1.165 743 W HN -0.048 nan 8.180 nan 0.000 0.466 744 L N 1.178 122.508 121.223 0.178 0.000 2.054 744 L HA -0.216 4.125 4.340 0.001 0.000 0.220 744 L C 2.311 179.322 176.870 0.236 0.000 1.081 744 L CA 2.610 57.529 54.840 0.133 0.000 0.780 744 L CB -1.488 40.714 42.059 0.239 0.000 0.893 744 L HN 0.086 nan 8.230 nan 0.000 0.438 745 G N -1.771 107.204 108.800 0.291 0.000 2.453 745 G HA2 -0.248 3.713 3.960 0.001 0.000 0.215 745 G HA3 -0.248 3.713 3.960 0.001 0.000 0.215 745 G C 1.683 176.700 174.900 0.196 0.000 1.201 745 G CA 0.934 46.224 45.100 0.316 0.000 0.784 745 G HN 0.344 nan 8.290 nan 0.000 0.545 746 V N 1.383 121.376 119.914 0.133 0.000 2.392 746 V HA -0.100 4.020 4.120 0.001 0.000 0.249 746 V C 3.197 179.385 176.094 0.155 0.000 1.059 746 V CA 2.558 64.918 62.300 0.098 0.000 1.051 746 V CB -0.635 31.180 31.823 -0.013 0.000 0.658 746 V HN 0.466 nan 8.190 nan 0.000 0.455 747 A N -0.854 122.064 122.820 0.164 0.000 1.855 747 A HA -0.254 4.067 4.320 0.001 0.000 0.215 747 A C 2.266 180.071 177.584 0.369 0.000 1.191 747 A CA 1.854 54.001 52.037 0.184 0.000 0.613 747 A CB -0.773 18.196 19.000 -0.052 0.000 0.829 747 A HN 0.653 nan 8.150 nan 0.000 0.442 748 E N 0.182 120.550 120.200 0.280 0.000 2.086 748 E HA -0.257 4.094 4.350 0.001 0.000 0.200 748 E C 2.221 179.046 176.600 0.375 0.000 1.012 748 E CA 1.731 58.424 56.400 0.489 0.000 0.812 748 E CB -0.226 29.597 29.700 0.204 0.000 0.743 748 E HN 0.591 nan 8.360 nan 0.000 0.453 749 S N 0.810 116.653 115.700 0.239 0.000 2.380 749 S HA -0.275 4.195 4.470 0.001 0.000 0.229 749 S C 1.674 176.408 174.600 0.222 0.000 1.050 749 S CA 2.215 60.531 58.200 0.195 0.000 1.100 749 S CB -0.540 62.740 63.200 0.134 0.000 0.984 749 S HN 0.339 nan 8.310 nan 0.000 0.434 750 N N 0.437 119.258 118.700 0.203 0.000 2.142 750 N HA 0.034 4.774 4.740 0.001 0.000 0.186 750 N C 1.378 176.996 175.510 0.180 0.000 1.023 750 N CA 1.359 54.481 53.050 0.121 0.000 0.852 750 N CB -0.718 37.782 38.487 0.022 0.000 0.998 750 N HN 0.549 nan 8.380 nan 0.000 0.424 751 F N 0.914 120.997 119.950 0.221 0.000 2.269 751 F HA -0.132 4.396 4.527 0.001 0.000 0.301 751 F C 2.360 178.300 175.800 0.232 0.000 1.082 751 F CA 1.273 59.443 58.000 0.283 0.000 1.360 751 F CB -0.131 39.014 39.000 0.242 0.000 1.041 751 F HN 0.281 nan 8.300 nan 0.000 0.512 752 H N -0.666 118.457 119.070 0.089 0.000 2.520 752 H HA -0.019 4.537 4.556 0.001 0.000 0.279 752 H C 1.956 177.282 175.328 -0.003 0.000 0.990 752 H CA 1.274 57.308 56.048 -0.025 0.000 1.288 752 H CB -0.027 29.750 29.762 0.025 0.000 1.446 752 H HN 0.439 nan 8.280 nan 0.000 0.538 753 Q N 0.548 120.280 119.800 -0.113 0.000 2.163 753 Q HA 0.070 4.411 4.340 0.001 0.000 0.198 753 Q C 2.271 178.233 176.000 -0.063 0.000 0.954 753 Q CA 0.778 56.513 55.803 -0.113 0.000 0.851 753 Q CB 0.254 29.007 28.738 0.025 0.000 0.928 753 Q HN 0.469 nan 8.270 nan 0.000 0.459 754 L N 0.163 121.369 121.223 -0.028 0.000 2.162 754 L HA 0.033 4.373 4.340 0.001 0.000 0.205 754 L C 2.351 179.220 176.870 -0.002 0.000 1.086 754 L CA 0.797 55.653 54.840 0.026 0.000 0.778 754 L CB -0.376 41.764 42.059 0.136 0.000 0.928 754 L HN 0.306 nan 8.230 nan 0.000 0.446 755 N N -0.622 118.019 118.700 -0.099 0.000 2.420 755 N HA -0.061 4.679 4.740 0.001 0.000 0.185 755 N C 1.700 177.047 175.510 -0.271 0.000 1.033 755 N CA 1.561 54.461 53.050 -0.250 0.000 0.879 755 N CB 0.282 38.394 38.487 -0.626 0.000 1.071 755 N HN 0.068 nan 8.380 nan 0.000 0.437 756 T N -0.055 114.311 114.554 -0.314 0.000 2.814 756 T HA -0.026 4.325 4.350 0.001 0.000 0.254 756 T C 0.865 175.520 174.700 -0.074 0.000 1.037 756 T CA 0.470 62.464 62.100 -0.177 0.000 1.143 756 T CB -0.247 68.566 68.868 -0.091 0.000 0.866 756 T HN 0.297 nan 8.240 nan 0.000 0.431 757 H N 1.281 120.164 119.070 -0.313 0.000 2.551 757 H HA 0.315 4.872 4.556 0.001 0.000 0.358 757 H C 0.909 176.243 175.328 0.010 0.000 1.151 757 H CA -0.243 55.726 56.048 -0.130 0.000 1.374 757 H CB 0.852 30.465 29.762 -0.248 0.000 1.473 757 H HN 0.105 nan 8.280 nan 0.000 0.574 758 L N 3.045 124.105 121.223 -0.272 0.000 3.588 758 L HA -0.379 3.962 4.340 0.001 0.000 0.094 758 L C 1.620 178.483 176.870 -0.011 0.000 4.360 758 L CA 2.313 57.036 54.840 -0.194 0.000 0.640 758 L CB -2.006 39.898 42.059 -0.260 0.000 3.512 758 L HN 0.630 nan 8.230 nan 0.000 0.900 759 L N 0.718 121.926 121.223 -0.024 0.000 1.988 759 L HA -0.027 4.314 4.340 0.001 0.000 0.207 759 L C 2.064 178.971 176.870 0.062 0.000 1.071 759 L CA 2.291 57.133 54.840 0.002 0.000 0.744 759 L CB -0.366 41.685 42.059 -0.014 0.000 0.893 759 L HN 0.404 nan 8.230 nan 0.000 0.433 760 R N -0.898 119.646 120.500 0.073 0.000 2.978 760 R HA 0.172 4.513 4.340 0.001 0.000 0.298 760 R C 0.157 176.628 176.300 0.284 0.000 1.296 760 R CA 0.771 56.976 56.100 0.175 0.000 1.181 760 R CB -0.292 30.042 30.300 0.057 0.000 1.348 760 R HN 0.625 nan 8.270 nan 0.000 0.585 761 T N -5.684 109.010 114.554 0.233 0.000 3.764 761 T HA 0.055 4.405 4.350 0.001 0.000 0.300 761 T C 1.286 176.058 174.700 0.119 0.000 0.943 761 T CA -0.382 61.842 62.100 0.208 0.000 1.151 761 T CB -0.026 68.978 68.868 0.227 0.000 1.116 761 T HN 0.125 nan 8.240 nan 0.000 0.483 762 H N 1.161 120.302 119.070 0.118 0.000 2.273 762 H HA 0.411 4.968 4.556 0.001 0.000 0.317 762 H C 2.244 177.635 175.328 0.104 0.000 1.062 762 H CA 1.209 57.301 56.048 0.073 0.000 1.419 762 H CB -0.116 29.612 29.762 -0.057 0.000 1.442 762 H HN 0.120 nan 8.280 nan 0.000 0.542 763 L N 0.902 122.246 121.223 0.201 0.000 2.093 763 L HA -0.142 4.199 4.340 0.001 0.000 0.208 763 L C 2.804 179.769 176.870 0.159 0.000 1.085 763 L CA 1.662 56.570 54.840 0.114 0.000 0.755 763 L CB -0.591 41.467 42.059 -0.001 0.000 0.904 763 L HN 0.417 nan 8.230 nan 0.000 0.435 764 T N -3.565 111.094 114.554 0.175 0.000 2.701 764 T HA -0.218 4.133 4.350 0.001 0.000 0.263 764 T C 1.917 177.051 174.700 0.723 0.000 1.040 764 T CA 1.740 64.033 62.100 0.323 0.000 1.147 764 T CB -1.076 67.917 68.868 0.209 0.000 0.865 764 T HN 0.459 nan 8.240 nan 0.000 0.426 765 T N 0.091 114.910 114.554 0.441 0.000 2.951 765 T HA -0.025 4.325 4.350 0.001 0.000 0.268 765 T C 1.863 176.810 174.700 0.411 0.000 1.073 765 T CA 1.335 63.623 62.100 0.314 0.000 1.134 765 T CB -0.608 68.169 68.868 -0.151 0.000 0.884 765 T HN 0.568 nan 8.240 nan 0.000 0.479 766 E N 0.973 121.402 120.200 0.381 0.000 2.169 766 E HA -0.218 4.132 4.350 0.001 0.000 0.202 766 E C 2.227 179.002 176.600 0.291 0.000 1.016 766 E CA 1.594 58.186 56.400 0.321 0.000 0.817 766 E CB -0.348 29.487 29.700 0.225 0.000 0.736 766 E HN 0.618 nan 8.360 nan 0.000 0.462 767 S N -0.265 115.654 115.700 0.364 0.000 2.359 767 S HA -0.149 4.322 4.470 0.001 0.000 0.224 767 S C 1.528 176.169 174.600 0.068 0.000 1.035 767 S CA 1.254 59.640 58.200 0.311 0.000 1.018 767 S CB -0.396 63.063 63.200 0.431 0.000 0.876 767 S HN 0.299 nan 8.310 nan 0.000 0.448 768 F N 1.883 121.844 119.950 0.017 0.000 2.216 768 F HA -0.090 4.438 4.527 0.001 0.000 0.300 768 F C 2.439 178.337 175.800 0.164 0.000 1.085 768 F CA 0.718 58.682 58.000 -0.060 0.000 1.326 768 F CB -0.723 38.208 39.000 -0.114 0.000 1.027 768 F HN 0.169 nan 8.300 nan 0.000 0.497 769 A N 0.364 123.440 122.820 0.426 0.000 1.835 769 A HA -0.176 4.145 4.320 0.001 0.000 0.215 769 A C 2.221 179.946 177.584 0.234 0.000 1.199 769 A CA 1.380 53.647 52.037 0.385 0.000 0.615 769 A CB -1.180 18.056 19.000 0.393 0.000 0.838 769 A HN 0.268 nan 8.150 nan 0.000 0.444 770 L N 0.256 121.528 121.223 0.081 0.000 2.010 770 L HA -0.211 4.130 4.340 0.001 0.000 0.219 770 L C 2.708 179.506 176.870 -0.121 0.000 1.077 770 L CA 2.694 57.454 54.840 -0.133 0.000 0.773 770 L CB -1.305 40.400 42.059 -0.590 0.000 0.892 770 L HN 0.489 nan 8.230 nan 0.000 0.436 771 S N -1.679 113.954 115.700 -0.112 0.000 2.399 771 S HA -0.167 4.304 4.470 0.001 0.000 0.231 771 S C 1.839 176.589 174.600 0.250 0.000 1.022 771 S CA 1.799 59.956 58.200 -0.073 0.000 0.983 771 S CB -0.094 62.844 63.200 -0.436 0.000 0.803 771 S HN 0.622 nan 8.310 nan 0.000 0.480 772 T N 0.092 114.879 114.554 0.390 0.000 2.737 772 T HA -0.093 4.257 4.350 0.001 0.000 0.265 772 T C 1.193 175.889 174.700 -0.007 0.000 1.038 772 T CA 1.467 63.728 62.100 0.268 0.000 1.144 772 T CB -0.482 68.375 68.868 -0.019 0.000 0.866 772 T HN 0.641 nan 8.240 nan 0.000 0.434 773 W N 1.511 122.765 121.300 -0.076 0.000 2.425 773 W HA 0.081 4.741 4.660 0.001 0.000 0.277 773 W C 2.688 179.047 176.519 -0.267 0.000 1.231 773 W CA 0.163 57.303 57.345 -0.341 0.000 1.248 773 W CB -0.103 28.706 29.460 -1.085 0.000 1.117 773 W HN 0.102 nan 8.180 nan 0.000 0.568 774 R N -0.316 120.214 120.500 0.051 0.000 2.075 774 R HA -0.036 4.305 4.340 0.001 0.000 0.226 774 R C 1.285 177.671 176.300 0.143 0.000 1.114 774 R CA 1.156 57.305 56.100 0.082 0.000 0.972 774 R CB -0.218 30.093 30.300 0.019 0.000 0.869 774 R HN 0.196 nan 8.270 nan 0.000 0.437 775 N N -0.742 118.066 118.700 0.180 0.000 2.145 775 N HA 0.126 4.867 4.740 0.001 0.000 0.219 775 N C -0.518 175.060 175.510 0.115 0.000 1.266 775 N CA 0.085 53.243 53.050 0.180 0.000 0.902 775 N CB 1.363 39.994 38.487 0.241 0.000 1.078 775 N HN 0.029 nan 8.380 nan 0.000 0.513 776 L N 1.715 122.988 121.223 0.082 0.000 2.280 776 L HA 0.547 4.888 4.340 0.001 0.000 0.287 776 L C 0.451 177.276 176.870 -0.076 0.000 1.023 776 L CA -0.666 54.139 54.840 -0.059 0.000 0.819 776 L CB 1.496 43.437 42.059 -0.196 0.000 1.212 776 L HN -0.088 nan 8.230 nan 0.000 0.420 777 A N 2.179 124.929 122.820 -0.117 0.000 2.492 777 A HA 0.139 4.460 4.320 0.001 0.000 0.236 777 A C 1.414 178.682 177.584 -0.528 0.000 1.078 777 A CA 0.378 52.284 52.037 -0.217 0.000 0.773 777 A CB 0.339 19.231 19.000 -0.180 0.000 1.023 777 A HN 0.918 nan 8.150 nan 0.000 0.504 778 S N 0.670 116.059 115.700 -0.518 0.000 2.440 778 S HA -0.056 4.415 4.470 0.001 0.000 0.238 778 S C 1.409 175.693 174.600 -0.526 0.000 1.010 778 S CA 1.352 59.112 58.200 -0.734 0.000 0.972 778 S CB -0.356 62.702 63.200 -0.237 0.000 0.774 778 S HN 1.428 nan 8.310 nan 0.000 0.501 779 A N 0.126 122.713 122.820 -0.388 0.000 2.267 779 A HA 0.304 4.624 4.320 0.001 0.000 0.213 779 A C 0.680 178.029 177.584 -0.391 0.000 1.192 779 A CA -0.299 51.517 52.037 -0.368 0.000 0.851 779 A CB -0.598 18.131 19.000 -0.452 0.000 0.881 779 A HN 0.675 nan 8.150 nan 0.000 0.494 780 H N 0.613 119.428 119.070 -0.423 0.000 2.899 780 H HA 0.198 4.755 4.556 0.001 0.000 0.303 780 H C -1.732 173.396 175.328 -0.335 0.000 1.042 780 H CA -1.333 54.495 56.048 -0.367 0.000 1.479 780 H CB 1.122 30.729 29.762 -0.258 0.000 1.493 780 H HN 0.042 nan 8.280 nan 0.000 0.534 781 P HA -0.256 nan 4.420 nan 0.000 0.216 781 P C 1.204 178.587 177.300 0.138 0.000 1.153 781 P CA 1.083 64.037 63.100 -0.243 0.000 0.858 781 P CB 0.250 31.609 31.700 -0.568 0.000 0.789 782 I N -2.083 118.648 120.570 0.268 0.000 2.394 782 I HA -0.165 4.005 4.170 0.001 0.000 0.251 782 I C 2.197 178.261 176.117 -0.088 0.000 1.136 782 I CA 1.018 62.364 61.300 0.077 0.000 1.425 782 I CB -1.538 36.421 38.000 -0.068 0.000 1.079 782 I HN -0.050 nan 8.210 nan 0.000 0.425 783 F N 2.582 122.374 119.950 -0.263 0.000 2.051 783 F HA -0.268 4.259 4.527 0.001 0.000 0.296 783 F C 2.498 178.108 175.800 -0.317 0.000 1.122 783 F CA 1.896 59.691 58.000 -0.341 0.000 1.201 783 F CB -0.159 38.637 39.000 -0.339 0.000 0.978 783 F HN -0.076 nan 8.300 nan 0.000 0.472 784 K N 0.131 120.536 120.400 0.008 0.000 2.074 784 K HA -0.230 4.091 4.320 0.001 0.000 0.209 784 K C 1.897 178.325 176.600 -0.288 0.000 1.048 784 K CA 1.826 57.870 56.287 -0.406 0.000 0.926 784 K CB -0.707 31.079 32.500 -1.190 0.000 0.713 784 K HN 0.333 nan 8.250 nan 0.000 0.444 785 L N 1.267 122.552 121.223 0.104 0.000 2.046 785 L HA -0.116 4.225 4.340 0.001 0.000 0.208 785 L C 1.883 178.866 176.870 0.189 0.000 1.077 785 L CA 1.508 56.576 54.840 0.380 0.000 0.747 785 L CB -0.236 42.046 42.059 0.373 0.000 0.896 785 L HN 0.129 nan 8.230 nan 0.000 0.432 786 L N -0.982 120.239 121.223 -0.002 0.000 2.095 786 L HA -0.166 4.175 4.340 0.001 0.000 0.204 786 L C 2.629 179.441 176.870 -0.097 0.000 1.080 786 L CA 1.404 56.251 54.840 0.011 0.000 0.759 786 L CB -0.593 41.380 42.059 -0.143 0.000 0.914 786 L HN 0.471 nan 8.230 nan 0.000 0.439 787 Q N 0.850 120.401 119.800 -0.415 0.000 2.146 787 Q HA -0.261 4.080 4.340 0.001 0.000 0.217 787 Q C -0.860 175.046 176.000 -0.155 0.000 1.023 787 Q CA 2.813 58.351 55.803 -0.442 0.000 0.903 787 Q CB -1.095 27.351 28.738 -0.487 0.000 0.990 787 Q HN 0.315 nan 8.270 nan 0.000 0.413 788 P HA -0.110 nan 4.420 nan 0.000 0.239 788 P C 0.169 177.305 177.300 -0.272 0.000 1.184 788 P CA 1.280 64.290 63.100 -0.151 0.000 0.760 788 P CB -0.006 31.685 31.700 -0.015 0.000 0.884 789 H N -0.533 118.559 119.070 0.037 0.000 2.594 789 H HA 0.188 4.744 4.556 0.001 0.000 0.274 789 H C 2.092 177.037 175.328 -0.639 0.000 0.982 789 H CA 0.362 56.342 56.048 -0.113 0.000 1.228 789 H CB -0.127 29.732 29.762 0.162 0.000 1.447 789 H HN 0.137 nan 8.280 nan 0.000 0.485 790 I N -0.493 119.933 120.570 -0.239 0.000 2.850 790 I HA -0.132 4.039 4.170 0.001 0.000 0.266 790 I C 1.200 177.238 176.117 -0.132 0.000 1.257 790 I CA 0.518 61.676 61.300 -0.236 0.000 1.465 790 I CB -0.783 37.205 38.000 -0.020 0.000 1.091 790 I HN -0.056 nan 8.210 nan 0.000 0.467 791 Y N 2.622 122.811 120.300 -0.185 0.000 2.385 791 Y HA 0.408 4.959 4.550 0.001 0.000 0.346 791 Y C 1.507 177.370 175.900 -0.062 0.000 1.270 791 Y CA 0.797 58.882 58.100 -0.026 0.000 1.472 791 Y CB 0.733 39.192 38.460 -0.001 0.000 1.354 791 Y HN 0.300 nan 8.280 nan 0.000 0.611 792 G N 1.613 109.748 108.800 -1.109 0.000 2.900 792 G HA2 -0.381 3.580 3.960 0.001 0.000 0.223 792 G HA3 -0.381 3.580 3.960 0.001 0.000 0.223 792 G C 0.974 175.708 174.900 -0.276 0.000 1.293 792 G CA 0.568 45.221 45.100 -0.744 0.000 0.792 792 G HN 0.845 nan 8.290 nan 0.000 0.527 793 V N 2.160 121.975 119.914 -0.166 0.000 2.255 793 V HA -0.150 3.971 4.120 0.001 0.000 0.247 793 V C 2.932 179.007 176.094 -0.032 0.000 1.051 793 V CA 2.451 64.747 62.300 -0.008 0.000 1.018 793 V CB -0.859 31.046 31.823 0.135 0.000 0.641 793 V HN 0.495 nan 8.190 nan 0.000 0.445 794 L N -0.055 121.148 121.223 -0.033 0.000 2.051 794 L HA -0.302 4.038 4.340 0.001 0.000 0.214 794 L C 2.697 179.486 176.870 -0.136 0.000 1.076 794 L CA 1.959 56.777 54.840 -0.036 0.000 0.758 794 L CB -0.727 41.337 42.059 0.009 0.000 0.890 794 L HN 0.437 nan 8.230 nan 0.000 0.433 795 A N -0.257 122.412 122.820 -0.251 0.000 1.840 795 A HA -0.213 4.107 4.320 0.001 0.000 0.214 795 A C 2.144 179.403 177.584 -0.543 0.000 1.198 795 A CA 1.657 53.432 52.037 -0.435 0.000 0.608 795 A CB -0.648 17.907 19.000 -0.741 0.000 0.839 795 A HN 0.334 nan 8.150 nan 0.000 0.443 796 I N 0.134 120.400 120.570 -0.507 0.000 2.394 796 I HA -0.179 3.992 4.170 0.001 0.000 0.251 796 I C 1.221 177.169 176.117 -0.281 0.000 1.136 796 I CA 1.885 62.941 61.300 -0.408 0.000 1.425 796 I CB -0.269 37.656 38.000 -0.125 0.000 1.079 796 I HN 0.240 nan 8.210 nan 0.000 0.425 797 D N -0.118 120.175 120.400 -0.177 0.000 2.183 797 D HA -0.140 4.501 4.640 0.001 0.000 0.203 797 D C 2.352 178.570 176.300 -0.136 0.000 0.969 797 D CA 1.817 55.734 54.000 -0.138 0.000 0.842 797 D CB -0.480 40.295 40.800 -0.041 0.000 0.957 797 D HN 0.524 nan 8.370 nan 0.000 0.484 798 T N -0.826 113.641 114.554 -0.145 0.000 2.777 798 T HA -0.073 4.278 4.350 0.001 0.000 0.266 798 T C 2.282 176.903 174.700 -0.131 0.000 1.040 798 T CA 0.534 62.562 62.100 -0.120 0.000 1.141 798 T CB -0.560 68.242 68.868 -0.109 0.000 0.868 798 T HN 0.110 nan 8.240 nan 0.000 0.444 799 I N 2.084 122.533 120.570 -0.202 0.000 2.091 799 I HA -0.097 4.074 4.170 0.001 0.000 0.239 799 I C 3.038 179.065 176.117 -0.150 0.000 1.061 799 I CA 1.687 62.865 61.300 -0.203 0.000 1.317 799 I CB -1.047 36.732 38.000 -0.368 0.000 1.031 799 I HN 0.459 nan 8.210 nan 0.000 0.401 800 G N 0.438 109.126 108.800 -0.186 0.000 2.653 800 G HA2 -0.185 3.776 3.960 0.001 0.000 0.212 800 G HA3 -0.185 3.776 3.960 0.001 0.000 0.212 800 G C 1.642 176.482 174.900 -0.100 0.000 1.138 800 G CA 0.116 45.126 45.100 -0.151 0.000 0.782 800 G HN 0.360 nan 8.290 nan 0.000 0.535 801 R N -0.670 119.780 120.500 -0.082 0.000 2.235 801 R HA 0.043 4.383 4.340 0.001 0.000 0.213 801 R C 2.047 178.331 176.300 -0.026 0.000 1.059 801 R CA 1.190 57.262 56.100 -0.047 0.000 0.997 801 R CB 0.087 30.361 30.300 -0.043 0.000 0.884 801 R HN 0.238 nan 8.270 nan 0.000 0.462 802 K N -0.148 120.235 120.400 -0.028 0.000 2.511 802 K HA 0.062 4.382 4.320 0.001 0.000 0.209 802 K C 1.429 178.023 176.600 -0.009 0.000 1.301 802 K CA 0.382 56.663 56.287 -0.012 0.000 0.967 802 K CB 0.652 33.148 32.500 -0.007 0.000 1.109 802 K HN -0.110 nan 8.250 nan 0.000 0.561 803 E N 0.543 120.735 120.200 -0.014 0.000 2.030 803 E HA -0.026 4.324 4.350 0.001 0.000 0.189 803 E C 1.695 178.286 176.600 -0.016 0.000 0.974 803 E CA 0.890 57.296 56.400 0.011 0.000 0.807 803 E CB -0.148 29.586 29.700 0.056 0.000 0.771 803 E HN 0.171 nan 8.360 nan 0.000 0.451 804 L N 1.062 122.253 121.223 -0.053 0.000 1.958 804 L HA -0.009 4.332 4.340 0.001 0.000 0.211 804 L C 2.535 179.341 176.870 -0.107 0.000 1.139 804 L CA 0.418 55.206 54.840 -0.087 0.000 0.815 804 L CB -0.544 41.440 42.059 -0.124 0.000 0.910 804 L HN 0.092 nan 8.230 nan 0.000 0.456 805 I N 0.522 121.039 120.570 -0.088 0.000 2.145 805 I HA -0.157 4.013 4.170 0.001 0.000 0.244 805 I C 1.168 177.324 176.117 0.066 0.000 1.075 805 I CA 1.268 62.562 61.300 -0.010 0.000 1.332 805 I CB -1.091 36.960 38.000 0.084 0.000 1.033 805 I HN 0.324 nan 8.210 nan 0.000 0.410 806 G N 1.777 110.591 108.800 0.024 0.000 2.224 806 G HA2 -0.015 3.945 3.960 0.001 0.000 0.239 806 G HA3 -0.015 3.945 3.960 0.001 0.000 0.239 806 G C 0.140 175.054 174.900 0.024 0.000 1.240 806 G CA 0.011 45.128 45.100 0.028 0.000 0.896 806 G HN 0.490 nan 8.290 nan 0.000 0.496 807 S N 0.903 116.625 115.700 0.038 0.000 2.558 807 S HA 0.343 4.813 4.470 0.001 0.000 0.293 807 S C 1.677 176.275 174.600 -0.002 0.000 1.292 807 S CA 1.119 59.335 58.200 0.027 0.000 1.063 807 S CB 0.504 63.724 63.200 0.033 0.000 0.831 807 S HN 2.012 nan 8.310 nan 0.000 0.499 808 G N 2.552 111.334 108.800 -0.029 0.000 2.175 808 G HA2 -0.239 3.722 3.960 0.001 0.000 0.265 808 G HA3 -0.239 3.722 3.960 0.001 0.000 0.265 808 G C 0.551 175.426 174.900 -0.043 0.000 0.979 808 G CA 0.436 45.512 45.100 -0.041 0.000 0.663 808 G HN 1.073 nan 8.290 nan 0.000 0.533 809 G N -0.628 108.145 108.800 -0.046 0.000 2.624 809 G HA2 0.452 4.413 3.960 0.001 0.000 0.217 809 G HA3 0.452 4.413 3.960 0.001 0.000 0.217 809 G C 1.409 176.273 174.900 -0.059 0.000 1.506 809 G CA 0.240 45.316 45.100 -0.040 0.000 1.072 809 G HN 0.605 nan 8.290 nan 0.000 0.568 810 I N -0.696 119.842 120.570 -0.054 0.000 2.406 810 I HA 0.004 4.175 4.170 0.001 0.000 0.249 810 I C 2.181 178.237 176.117 -0.102 0.000 1.122 810 I CA 1.337 62.603 61.300 -0.056 0.000 1.431 810 I CB -0.125 37.866 38.000 -0.015 0.000 1.087 810 I HN 0.129 nan 8.210 nan 0.000 0.424 811 V N 1.719 121.539 119.914 -0.157 0.000 3.573 811 V HA -0.020 4.100 4.120 0.001 0.000 0.270 811 V C 1.235 177.165 176.094 -0.273 0.000 1.221 811 V CA 1.076 63.234 62.300 -0.236 0.000 1.163 811 V CB -0.682 30.931 31.823 -0.349 0.000 0.847 811 V HN 0.396 nan 8.190 nan 0.000 0.468 812 D N -0.742 119.522 120.400 -0.227 0.000 2.349 812 D HA 0.046 4.687 4.640 0.001 0.000 0.214 812 D C 1.242 177.355 176.300 -0.312 0.000 1.063 812 D CA 0.253 54.089 54.000 -0.274 0.000 0.847 812 D CB 0.828 41.494 40.800 -0.224 0.000 0.933 812 D HN 0.519 nan 8.370 nan 0.000 0.513 813 Q N -0.624 119.060 119.800 -0.193 0.000 2.123 813 Q HA 0.026 4.366 4.340 0.001 0.000 0.244 813 Q C 1.902 177.852 176.000 -0.083 0.000 0.769 813 Q CA 0.029 55.752 55.803 -0.133 0.000 0.938 813 Q CB 0.963 29.645 28.738 -0.092 0.000 1.170 813 Q HN 0.108 nan 8.270 nan 0.000 0.469 814 S N -0.415 115.235 115.700 -0.083 0.000 2.398 814 S HA 0.179 4.650 4.470 0.001 0.000 0.220 814 S C 1.016 175.591 174.600 -0.042 0.000 1.046 814 S CA -0.065 58.105 58.200 -0.051 0.000 0.953 814 S CB -0.073 63.102 63.200 -0.041 0.000 0.856 814 S HN 0.099 nan 8.310 nan 0.000 0.506 815 L N 0.700 121.887 121.223 -0.059 0.000 2.657 815 L HA 0.476 4.817 4.340 0.001 0.000 0.240 815 L C 1.921 178.781 176.870 -0.017 0.000 1.151 815 L CA -0.037 54.782 54.840 -0.035 0.000 0.831 815 L CB 0.550 42.580 42.059 -0.048 0.000 1.539 815 L HN 0.340 nan 8.230 nan 0.000 0.511 816 S N -0.693 115.012 115.700 0.008 0.000 2.475 816 S HA 0.194 4.665 4.470 0.001 0.000 0.224 816 S C 1.124 175.756 174.600 0.054 0.000 1.042 816 S CA -0.023 58.203 58.200 0.044 0.000 0.935 816 S CB 0.045 63.284 63.200 0.065 0.000 0.801 816 S HN 0.447 nan 8.310 nan 0.000 0.509 817 L N 2.491 123.728 121.223 0.024 0.000 2.888 817 L HA 0.387 4.728 4.340 0.001 0.000 0.237 817 L C 0.994 177.941 176.870 0.129 0.000 1.288 817 L CA -0.571 54.298 54.840 0.049 0.000 1.110 817 L CB -0.456 41.584 42.059 -0.032 0.000 1.441 817 L HN 0.260 nan 8.230 nan 0.000 0.474 818 G N -1.195 107.647 108.800 0.070 0.000 2.476 818 G HA2 0.447 4.407 3.960 0.001 0.000 0.286 818 G HA3 0.447 4.407 3.960 0.001 0.000 0.286 818 G C 0.789 175.722 174.900 0.055 0.000 1.177 818 G CA 0.324 45.437 45.100 0.022 0.000 0.870 818 G HN 0.356 nan 8.290 nan 0.000 0.528 819 G N -1.413 107.423 108.800 0.060 0.000 2.165 819 G HA2 0.289 4.250 3.960 0.001 0.000 0.226 819 G HA3 0.289 4.250 3.960 0.001 0.000 0.226 819 G C 1.192 176.166 174.900 0.123 0.000 1.035 819 G CA 0.818 45.972 45.100 0.090 0.000 0.744 819 G HN 2.547 nan 8.290 nan 0.000 0.501 820 G N -1.524 107.295 108.800 0.033 0.000 2.349 820 G HA2 0.073 4.034 3.960 0.001 0.000 0.213 820 G HA3 0.073 4.034 3.960 0.001 0.000 0.213 820 G C 2.009 176.752 174.900 -0.263 0.000 1.044 820 G CA 1.097 46.090 45.100 -0.178 0.000 0.633 820 G HN 1.906 nan 8.290 nan 0.000 0.506 821 G N 0.960 109.730 108.800 -0.051 0.000 2.498 821 G HA2 -0.023 3.938 3.960 0.001 0.000 0.219 821 G HA3 -0.023 3.938 3.960 0.001 0.000 0.219 821 G C 1.393 176.310 174.900 0.028 0.000 1.119 821 G CA 2.020 47.126 45.100 0.011 0.000 0.766 821 G HN 0.989 nan 8.290 nan 0.000 0.552 822 H N -0.351 118.746 119.070 0.045 0.000 2.436 822 H HA 0.072 4.629 4.556 0.001 0.000 0.294 822 H C 2.281 177.675 175.328 0.110 0.000 1.048 822 H CA 1.035 57.121 56.048 0.063 0.000 1.353 822 H CB -0.738 29.031 29.762 0.012 0.000 1.414 822 H HN 0.198 nan 8.280 nan 0.000 0.536 823 V N 1.587 121.291 119.914 -0.350 0.000 2.515 823 V HA -0.214 3.907 4.120 0.001 0.000 0.250 823 V C 2.584 178.666 176.094 -0.019 0.000 1.058 823 V CA 1.912 64.124 62.300 -0.148 0.000 1.064 823 V CB -0.885 30.806 31.823 -0.220 0.000 0.675 823 V HN 0.422 nan 8.190 nan 0.000 0.461 824 T N 0.244 114.797 114.554 -0.001 0.000 2.555 824 T HA -0.242 4.109 4.350 0.001 0.000 0.264 824 T C 1.680 176.460 174.700 0.134 0.000 1.083 824 T CA 2.279 64.416 62.100 0.063 0.000 1.179 824 T CB -0.462 68.456 68.868 0.084 0.000 0.863 824 T HN 0.370 nan 8.240 nan 0.000 0.412 825 F N 1.761 121.727 119.950 0.028 0.000 2.063 825 F HA -0.219 4.308 4.527 0.001 0.000 0.298 825 F C 2.383 178.211 175.800 0.046 0.000 1.109 825 F CA 1.498 59.533 58.000 0.059 0.000 1.212 825 F CB -0.427 38.627 39.000 0.090 0.000 0.973 825 F HN 0.092 nan 8.300 nan 0.000 0.480 826 M N -0.347 119.373 119.600 0.200 0.000 2.073 826 M HA -0.264 4.217 4.480 0.001 0.000 0.258 826 M C 2.084 178.403 176.300 0.030 0.000 1.070 826 M CA 1.903 57.253 55.300 0.084 0.000 1.103 826 M CB -1.555 31.090 32.600 0.074 0.000 1.321 826 M HN 0.253 nan 8.290 nan 0.000 0.405 827 E N 0.279 120.495 120.200 0.026 0.000 2.031 827 E HA -0.197 4.153 4.350 0.001 0.000 0.193 827 E C 2.159 178.757 176.600 -0.003 0.000 0.994 827 E CA 1.238 57.651 56.400 0.022 0.000 0.800 827 E CB -0.198 29.504 29.700 0.003 0.000 0.752 827 E HN 0.427 nan 8.360 nan 0.000 0.447 828 K N 0.548 120.917 120.400 -0.052 0.000 2.147 828 K HA -0.159 4.161 4.320 0.001 0.000 0.205 828 K C 2.012 178.521 176.600 -0.152 0.000 1.049 828 K CA 1.388 57.608 56.287 -0.111 0.000 0.936 828 K CB -0.070 32.359 32.500 -0.119 0.000 0.722 828 K HN 0.201 nan 8.250 nan 0.000 0.446 829 C N 0.024 119.210 119.300 -0.190 0.000 2.475 829 C HA -0.004 4.456 4.460 0.001 0.000 0.279 829 C C 2.274 177.234 174.990 -0.049 0.000 1.322 829 C CA -0.117 58.789 59.018 -0.187 0.000 1.734 829 C CB -0.993 26.585 27.740 -0.270 0.000 2.005 829 C HN 0.540 nan 8.230 nan 0.000 0.495 830 F N 2.413 122.282 119.950 -0.135 0.000 2.333 830 F HA -0.109 4.418 4.527 0.001 0.000 0.300 830 F C 2.129 177.947 175.800 0.030 0.000 1.083 830 F CA 1.374 59.314 58.000 -0.099 0.000 1.395 830 F CB -0.470 38.464 39.000 -0.111 0.000 1.056 830 F HN 0.187 nan 8.300 nan 0.000 0.529 831 K N -0.077 120.287 120.400 -0.061 0.000 2.218 831 K HA -0.202 4.118 4.320 0.001 0.000 0.205 831 K C 0.587 177.127 176.600 -0.100 0.000 1.046 831 K CA 1.716 57.928 56.287 -0.123 0.000 0.933 831 K CB -0.217 32.176 32.500 -0.178 0.000 0.728 831 K HN 0.280 nan 8.250 nan 0.000 0.454 832 E N 0.471 120.607 120.200 -0.106 0.000 2.939 832 E HA 0.097 4.448 4.350 0.001 0.000 0.215 832 E C -1.462 175.088 176.600 -0.083 0.000 1.025 832 E CA -0.170 56.176 56.400 -0.090 0.000 1.259 832 E CB 1.085 30.744 29.700 -0.070 0.000 1.228 832 E HN -0.113 nan 8.360 nan 0.000 0.443 833 V N 1.741 121.586 119.914 -0.115 0.000 2.350 833 V HA 0.326 4.446 4.120 0.001 0.000 0.276 833 V C -0.174 175.994 176.094 0.124 0.000 1.028 833 V CA -0.934 61.308 62.300 -0.097 0.000 0.860 833 V CB 1.140 32.765 31.823 -0.331 0.000 0.990 833 V HN 0.249 nan 8.190 nan 0.000 0.453 834 N N 3.287 122.077 118.700 0.149 0.000 2.342 834 N HA 0.305 5.045 4.740 0.001 0.000 0.293 834 N C 0.413 176.169 175.510 0.409 0.000 1.026 834 N CA -0.743 52.461 53.050 0.256 0.000 0.857 834 N CB 1.798 40.365 38.487 0.133 0.000 1.256 834 N HN 0.496 nan 8.380 nan 0.000 0.484 835 L N 2.737 124.301 121.223 0.567 0.000 2.351 835 L HA -0.122 4.218 4.340 0.001 0.000 0.220 835 L C 1.704 178.895 176.870 0.535 0.000 1.127 835 L CA 1.683 56.920 54.840 0.661 0.000 0.786 835 L CB -0.221 42.096 42.059 0.430 0.000 0.914 835 L HN 0.645 nan 8.230 nan 0.000 0.443 836 Q N -0.467 119.541 119.800 0.347 0.000 2.084 836 Q HA -0.205 4.136 4.340 0.001 0.000 0.202 836 Q C 1.679 177.801 176.000 0.204 0.000 0.978 836 Q CA 1.605 57.556 55.803 0.247 0.000 0.844 836 Q CB -0.382 28.439 28.738 0.138 0.000 0.898 836 Q HN 0.606 nan 8.270 nan 0.000 0.426 837 D N -0.318 120.148 120.400 0.110 0.000 2.362 837 D HA -0.183 4.458 4.640 0.001 0.000 0.215 837 D C 1.273 177.460 176.300 -0.188 0.000 0.978 837 D CA 1.143 55.084 54.000 -0.098 0.000 0.921 837 D CB -0.087 40.554 40.800 -0.264 0.000 0.895 837 D HN 0.418 nan 8.370 nan 0.000 0.494 838 Y N -1.041 119.369 120.300 0.183 0.000 2.479 838 Y HA 0.063 4.614 4.550 0.001 0.000 0.283 838 Y C 1.060 177.022 175.900 0.103 0.000 1.109 838 Y CA -0.175 58.046 58.100 0.202 0.000 1.239 838 Y CB -0.258 38.351 38.460 0.248 0.000 1.108 838 Y HN -0.017 nan 8.280 nan 0.000 0.548 839 H N 1.801 120.939 119.070 0.114 0.000 3.440 839 H HA -0.043 4.514 4.556 0.001 0.000 0.232 839 H C 1.426 176.407 175.328 -0.579 0.000 1.130 839 H CA -0.306 55.614 56.048 -0.213 0.000 1.459 839 H CB 0.024 29.773 29.762 -0.022 0.000 1.607 839 H HN 0.252 nan 8.280 nan 0.000 0.515 840 L N 7.647 128.238 121.223 -1.053 0.000 1.997 840 L HA -0.143 4.198 4.340 0.001 0.000 0.216 840 L C -0.693 175.862 176.870 -0.524 0.000 1.074 840 L CA 1.777 56.163 54.840 -0.757 0.000 0.763 840 L CB -0.648 40.798 42.059 -1.022 0.000 0.890 840 L HN 0.607 nan 8.230 nan 0.000 0.434 841 P HA -0.133 nan 4.420 nan 0.000 0.217 841 P C 0.970 178.198 177.300 -0.119 0.000 1.151 841 P CA 1.751 64.679 63.100 -0.288 0.000 0.828 841 P CB -0.359 31.188 31.700 -0.254 0.000 0.788 842 N N -0.017 118.647 118.700 -0.061 0.000 2.223 842 N HA -0.088 4.653 4.740 0.001 0.000 0.185 842 N C 1.888 177.354 175.510 -0.075 0.000 1.016 842 N CA 0.919 53.888 53.050 -0.135 0.000 0.863 842 N CB -0.238 38.053 38.487 -0.326 0.000 0.983 842 N HN 0.106 nan 8.380 nan 0.000 0.429 843 A N 0.581 123.369 122.820 -0.054 0.000 1.930 843 A HA 0.009 4.329 4.320 0.001 0.000 0.215 843 A C 1.929 179.514 177.584 0.002 0.000 1.176 843 A CA 0.690 52.715 52.037 -0.019 0.000 0.632 843 A CB -0.269 18.726 19.000 -0.008 0.000 0.819 843 A HN 0.062 nan 8.150 nan 0.000 0.445 844 L N -0.120 121.102 121.223 -0.001 0.000 2.131 844 L HA -0.074 4.267 4.340 0.001 0.000 0.210 844 L C 2.296 179.177 176.870 0.018 0.000 1.092 844 L CA 2.117 56.979 54.840 0.037 0.000 0.759 844 L CB -0.709 41.383 42.059 0.055 0.000 0.903 844 L HN 0.412 nan 8.230 nan 0.000 0.435 845 K N 0.057 120.453 120.400 -0.006 0.000 2.031 845 K HA -0.186 4.134 4.320 0.001 0.000 0.205 845 K C 2.171 178.770 176.600 -0.003 0.000 1.049 845 K CA 1.205 57.488 56.287 -0.006 0.000 0.939 845 K CB -0.111 32.376 32.500 -0.022 0.000 0.717 845 K HN 0.088 nan 8.250 nan 0.000 0.438 846 K N 0.314 120.709 120.400 -0.009 0.000 2.218 846 K HA -0.168 4.152 4.320 0.001 0.000 0.205 846 K C 1.374 177.980 176.600 0.010 0.000 1.046 846 K CA 1.433 57.718 56.287 -0.004 0.000 0.933 846 K CB 0.072 32.567 32.500 -0.007 0.000 0.728 846 K HN 0.105 nan 8.250 nan 0.000 0.454 847 R N -1.119 119.393 120.500 0.021 0.000 2.334 847 R HA 0.085 4.426 4.340 0.001 0.000 0.216 847 R C 0.782 177.115 176.300 0.055 0.000 0.905 847 R CA 0.568 56.691 56.100 0.038 0.000 1.064 847 R CB 0.659 30.986 30.300 0.045 0.000 1.046 847 R HN 0.415 nan 8.270 nan 0.000 0.508 848 G N 1.279 110.104 108.800 0.042 0.000 2.198 848 G HA2 -0.257 3.704 3.960 0.001 0.000 0.260 848 G HA3 -0.257 3.704 3.960 0.001 0.000 0.260 848 G C 0.436 175.410 174.900 0.123 0.000 1.025 848 G CA 0.528 45.660 45.100 0.054 0.000 0.769 848 G HN 0.329 nan 8.290 nan 0.000 0.507 849 V N 0.211 120.164 119.914 0.066 0.000 3.427 849 V HA 0.241 4.361 4.120 0.001 0.000 0.305 849 V C 1.526 177.567 176.094 -0.088 0.000 1.412 849 V CA 1.257 63.535 62.300 -0.038 0.000 1.086 849 V CB 0.322 32.031 31.823 -0.191 0.000 0.964 849 V HN 0.500 nan 8.190 nan 0.000 0.439 850 D N -1.310 119.093 120.400 0.005 0.000 2.340 850 D HA 0.047 4.688 4.640 0.001 0.000 0.217 850 D C 0.480 176.801 176.300 0.034 0.000 1.081 850 D CA -0.109 53.911 54.000 0.034 0.000 0.842 850 D CB -0.161 40.661 40.800 0.036 0.000 0.934 850 D HN 0.281 nan 8.370 nan 0.000 0.511 851 D N 1.998 122.414 120.400 0.028 0.000 2.453 851 D HA 0.082 4.722 4.640 0.001 0.000 0.223 851 D C -1.476 174.844 176.300 0.033 0.000 1.183 851 D CA -1.881 52.138 54.000 0.031 0.000 0.933 851 D CB 1.379 42.197 40.800 0.029 0.000 1.038 851 D HN 0.045 nan 8.370 nan 0.000 0.513 852 P HA -0.066 nan 4.420 nan 0.000 0.242 852 P C 0.618 177.949 177.300 0.053 0.000 1.198 852 P CA 0.502 63.635 63.100 0.055 0.000 0.756 852 P CB 0.223 31.964 31.700 0.068 0.000 0.911 853 S N -1.531 114.197 115.700 0.046 0.000 2.524 853 S HA 0.202 4.673 4.470 0.001 0.000 0.222 853 S C 1.628 176.266 174.600 0.064 0.000 1.040 853 S CA -0.191 58.041 58.200 0.054 0.000 0.915 853 S CB -0.098 63.131 63.200 0.050 0.000 0.831 853 S HN 0.082 nan 8.310 nan 0.000 0.492 854 K N 0.400 120.824 120.400 0.040 0.000 2.361 854 K HA 0.334 4.655 4.320 0.001 0.000 0.196 854 K C -0.463 176.197 176.600 0.101 0.000 1.039 854 K CA 0.244 56.541 56.287 0.018 0.000 1.001 854 K CB 0.246 32.713 32.500 -0.055 0.000 0.795 854 K HN 0.255 nan 8.250 nan 0.000 0.495 855 L N 1.679 122.926 121.223 0.040 0.000 2.518 855 L HA 0.379 4.720 4.340 0.001 0.000 0.262 855 L C -3.031 173.811 176.870 -0.047 0.000 0.982 855 L CA -1.994 52.807 54.840 -0.065 0.000 0.873 855 L CB 1.595 43.467 42.059 -0.311 0.000 1.198 855 L HN -0.187 nan 8.230 nan 0.000 0.427 856 P HA 0.531 nan 4.420 nan 0.000 0.287 856 P C 0.021 177.314 177.300 -0.012 0.000 1.270 856 P CA -0.048 63.063 63.100 0.017 0.000 0.844 856 P CB 1.601 33.322 31.700 0.034 0.000 1.068 857 G N 1.106 109.889 108.800 -0.029 0.000 2.370 857 G HA2 -0.256 3.705 3.960 0.001 0.000 0.295 857 G HA3 -0.256 3.705 3.960 0.001 0.000 0.295 857 G C -0.549 174.027 174.900 -0.541 0.000 1.045 857 G CA -0.334 44.547 45.100 -0.365 0.000 1.199 857 G HN 0.491 nan 8.290 nan 0.000 0.513 858 F N 1.719 121.333 119.950 -0.561 0.000 2.530 858 F HA 0.524 5.052 4.527 0.001 0.000 0.318 858 F C 1.406 177.045 175.800 -0.268 0.000 1.356 858 F CA -2.047 55.730 58.000 -0.372 0.000 1.135 858 F CB -0.035 38.844 39.000 -0.202 0.000 1.315 858 F HN 0.285 nan 8.300 nan 0.000 0.549 859 Y N -0.106 120.053 120.300 -0.235 0.000 2.207 859 Y HA -0.364 4.187 4.550 0.001 0.000 0.287 859 Y C 2.267 177.744 175.900 -0.705 0.000 1.156 859 Y CA 1.809 59.680 58.100 -0.382 0.000 1.182 859 Y CB -0.725 37.566 38.460 -0.282 0.000 0.979 859 Y HN 0.506 nan 8.280 nan 0.000 0.521 860 Y N 1.591 121.257 120.300 -1.057 0.000 2.040 860 Y HA -0.397 4.154 4.550 0.001 0.000 0.275 860 Y C 2.791 178.401 175.900 -0.482 0.000 1.171 860 Y CA 2.209 59.807 58.100 -0.836 0.000 1.123 860 Y CB -0.589 37.416 38.460 -0.758 0.000 0.963 860 Y HN 0.002 nan 8.280 nan 0.000 0.493 861 R N 0.329 120.492 120.500 -0.561 0.000 2.113 861 R HA -0.237 4.104 4.340 0.001 0.000 0.231 861 R C 1.865 178.080 176.300 -0.142 0.000 1.129 861 R CA 2.496 58.466 56.100 -0.217 0.000 0.915 861 R CB -0.839 29.574 30.300 0.189 0.000 0.837 861 R HN 0.402 nan 8.270 nan 0.000 0.430 862 D N 0.320 120.684 120.400 -0.061 0.000 2.200 862 D HA -0.200 4.441 4.640 0.001 0.000 0.192 862 D C 1.501 177.805 176.300 0.005 0.000 1.008 862 D CA 1.864 55.879 54.000 0.024 0.000 0.872 862 D CB -0.338 40.531 40.800 0.116 0.000 0.923 862 D HN 0.425 nan 8.370 nan 0.000 0.447 863 D N -0.865 119.503 120.400 -0.054 0.000 2.290 863 D HA 0.042 4.683 4.640 0.001 0.000 0.224 863 D C 2.289 178.598 176.300 0.014 0.000 0.967 863 D CA 1.184 55.183 54.000 -0.003 0.000 0.893 863 D CB -0.913 39.893 40.800 0.010 0.000 1.037 863 D HN 0.250 nan 8.370 nan 0.000 0.477 864 G N 1.649 110.387 108.800 -0.102 0.000 2.507 864 G HA2 -0.250 3.710 3.960 0.001 0.000 0.221 864 G HA3 -0.250 3.710 3.960 0.001 0.000 0.221 864 G C 1.741 176.690 174.900 0.083 0.000 1.119 864 G CA 0.609 45.707 45.100 -0.004 0.000 0.751 864 G HN 0.203 nan 8.290 nan 0.000 0.574 865 L N 0.342 121.560 121.223 -0.007 0.000 1.976 865 L HA -0.086 4.255 4.340 0.001 0.000 0.209 865 L C 3.452 180.405 176.870 0.138 0.000 1.071 865 L CA 1.328 56.188 54.840 0.034 0.000 0.746 865 L CB -0.721 41.344 42.059 0.010 0.000 0.890 865 L HN 0.331 nan 8.230 nan 0.000 0.432 866 A N -0.016 122.872 122.820 0.114 0.000 1.940 866 A HA -0.168 4.152 4.320 0.001 0.000 0.219 866 A C 2.245 179.924 177.584 0.158 0.000 1.176 866 A CA 1.417 53.527 52.037 0.122 0.000 0.631 866 A CB -0.672 18.383 19.000 0.093 0.000 0.814 866 A HN 0.365 nan 8.150 nan 0.000 0.446 867 L N -1.776 119.569 121.223 0.203 0.000 1.994 867 L HA -0.207 4.134 4.340 0.001 0.000 0.208 867 L C 2.650 179.693 176.870 0.288 0.000 1.071 867 L CA 1.613 56.614 54.840 0.269 0.000 0.745 867 L CB -0.650 41.611 42.059 0.337 0.000 0.892 867 L HN 0.783 nan 8.230 nan 0.000 0.431 868 W N 1.776 123.129 121.300 0.089 0.000 2.318 868 W HA -0.279 4.381 4.660 0.001 0.000 0.313 868 W C 2.240 178.722 176.519 -0.061 0.000 1.221 868 W CA 2.339 59.623 57.345 -0.102 0.000 1.266 868 W CB -0.254 28.975 29.460 -0.386 0.000 1.150 868 W HN 0.330 nan 8.180 nan 0.000 0.496 869 E N 0.194 120.524 120.200 0.217 0.000 2.033 869 E HA -0.238 4.112 4.350 0.001 0.000 0.199 869 E C 2.421 179.018 176.600 -0.005 0.000 1.011 869 E CA 2.064 58.529 56.400 0.109 0.000 0.815 869 E CB -0.488 29.291 29.700 0.133 0.000 0.755 869 E HN 0.186 nan 8.360 nan 0.000 0.451 870 A N 0.781 123.633 122.820 0.054 0.000 1.908 870 A HA -0.197 4.124 4.320 0.001 0.000 0.218 870 A C 2.177 179.715 177.584 -0.076 0.000 1.181 870 A CA 1.469 53.549 52.037 0.073 0.000 0.627 870 A CB -0.646 18.473 19.000 0.198 0.000 0.818 870 A HN 0.332 nan 8.150 nan 0.000 0.445 871 I N -0.936 119.554 120.570 -0.132 0.000 2.252 871 I HA -0.241 3.930 4.170 0.001 0.000 0.245 871 I C 2.557 178.463 176.117 -0.351 0.000 1.102 871 I CA 1.693 62.798 61.300 -0.325 0.000 1.385 871 I CB -0.313 37.579 38.000 -0.180 0.000 1.064 871 I HN 0.548 nan 8.210 nan 0.000 0.414 872 E N 0.724 120.669 120.200 -0.425 0.000 2.023 872 E HA -0.253 4.098 4.350 0.001 0.000 0.196 872 E C 2.033 178.487 176.600 -0.242 0.000 1.003 872 E CA 2.517 58.673 56.400 -0.407 0.000 0.809 872 E CB -0.019 29.421 29.700 -0.434 0.000 0.755 872 E HN 0.389 nan 8.360 nan 0.000 0.449 873 T N 0.807 115.263 114.554 -0.163 0.000 2.653 873 T HA -0.252 4.099 4.350 0.001 0.000 0.268 873 T C 1.471 176.095 174.700 -0.126 0.000 1.035 873 T CA 1.693 63.731 62.100 -0.104 0.000 1.154 873 T CB -0.623 68.222 68.868 -0.038 0.000 0.862 873 T HN 0.285 nan 8.240 nan 0.000 0.441 874 F N 2.004 121.753 119.950 -0.334 0.000 2.031 874 F HA -0.019 4.509 4.527 0.001 0.000 0.295 874 F C 2.144 177.745 175.800 -0.333 0.000 1.133 874 F CA 0.940 58.703 58.000 -0.394 0.000 1.188 874 F CB -0.611 37.911 39.000 -0.798 0.000 0.974 874 F HN 0.027 nan 8.300 nan 0.000 0.473 875 I N 0.900 121.214 120.570 -0.426 0.000 2.181 875 I HA -0.368 3.803 4.170 0.001 0.000 0.247 875 I C 2.694 178.566 176.117 -0.408 0.000 1.081 875 I CA 1.516 62.550 61.300 -0.444 0.000 1.340 875 I CB -1.867 35.985 38.000 -0.246 0.000 1.036 875 I HN 0.437 nan 8.210 nan 0.000 0.417 876 G N 1.938 110.548 108.800 -0.317 0.000 2.672 876 G HA2 -0.312 3.648 3.960 0.001 0.000 0.218 876 G HA3 -0.312 3.648 3.960 0.001 0.000 0.218 876 G C 1.444 176.189 174.900 -0.259 0.000 1.238 876 G CA 1.292 46.247 45.100 -0.242 0.000 0.791 876 G HN 0.640 nan 8.290 nan 0.000 0.606 877 E N 0.205 120.224 120.200 -0.301 0.000 2.150 877 E HA -0.064 4.287 4.350 0.001 0.000 0.193 877 E C 2.470 178.822 176.600 -0.414 0.000 0.985 877 E CA 0.659 56.877 56.400 -0.304 0.000 0.814 877 E CB -0.284 29.258 29.700 -0.263 0.000 0.752 877 E HN 0.364 nan 8.360 nan 0.000 0.466 878 I N 2.059 122.288 120.570 -0.568 0.000 2.151 878 I HA -0.277 3.893 4.170 0.001 0.000 0.243 878 I C 2.557 178.471 176.117 -0.338 0.000 1.080 878 I CA 1.131 62.072 61.300 -0.599 0.000 1.339 878 I CB -0.778 36.779 38.000 -0.738 0.000 1.039 878 I HN 0.146 nan 8.210 nan 0.000 0.409 879 I N 1.088 121.546 120.570 -0.187 0.000 2.127 879 I HA -0.263 3.908 4.170 0.001 0.000 0.241 879 I C 2.818 178.939 176.117 0.006 0.000 1.075 879 I CA 1.754 63.080 61.300 0.042 0.000 1.334 879 I CB -1.845 36.135 38.000 -0.032 0.000 1.040 879 I HN 0.136 nan 8.210 nan 0.000 0.405 880 A N 0.914 123.661 122.820 -0.123 0.000 1.978 880 A HA -0.165 4.156 4.320 0.001 0.000 0.220 880 A C 2.413 179.883 177.584 -0.189 0.000 1.170 880 A CA 1.362 53.327 52.037 -0.121 0.000 0.636 880 A CB -0.756 18.160 19.000 -0.142 0.000 0.810 880 A HN 0.415 nan 8.150 nan 0.000 0.448 881 I N -2.044 118.306 120.570 -0.367 0.000 2.179 881 I HA -0.242 3.928 4.170 0.001 0.000 0.242 881 I C 2.192 178.026 176.117 -0.471 0.000 1.088 881 I CA 1.635 62.602 61.300 -0.555 0.000 1.357 881 I CB -0.270 37.141 38.000 -0.982 0.000 1.051 881 I HN 0.414 nan 8.210 nan 0.000 0.409 882 F N -1.518 118.344 119.950 -0.148 0.000 2.437 882 F HA 0.087 4.615 4.527 0.001 0.000 0.288 882 F C 0.420 176.045 175.800 -0.293 0.000 1.085 882 F CA -0.387 57.464 58.000 -0.249 0.000 1.430 882 F CB -0.030 38.756 39.000 -0.356 0.000 1.120 882 F HN -0.174 nan 8.300 nan 0.000 0.556 883 Y N 1.784 122.140 120.300 0.094 0.000 2.425 883 Y HA 0.214 4.764 4.550 0.001 0.000 0.347 883 Y C 1.108 177.015 175.900 0.011 0.000 0.976 883 Y CA -0.726 57.410 58.100 0.060 0.000 1.190 883 Y CB 0.600 39.081 38.460 0.035 0.000 1.136 883 Y HN -0.196 nan 8.280 nan 0.000 0.517 884 K N 2.270 122.757 120.400 0.145 0.000 2.400 884 K HA 0.059 4.379 4.320 0.001 0.000 0.194 884 K C -0.413 176.222 176.600 0.057 0.000 1.033 884 K CA 0.313 56.639 56.287 0.065 0.000 1.021 884 K CB -0.194 32.328 32.500 0.037 0.000 0.808 884 K HN 0.921 nan 8.250 nan 0.000 0.505 885 N N -1.821 116.932 118.700 0.089 0.000 3.452 885 N HA 0.000 4.741 4.740 0.001 0.000 0.231 885 N C -0.654 174.897 175.510 0.069 0.000 1.264 885 N CA -0.365 52.718 53.050 0.054 0.000 0.928 885 N CB 0.302 38.806 38.487 0.027 0.000 1.547 885 N HN -0.364 nan 8.380 nan 0.000 0.509 886 D N -0.134 120.286 120.400 0.034 0.000 2.271 886 D HA -0.151 4.489 4.640 0.001 0.000 0.207 886 D C 0.838 177.167 176.300 0.047 0.000 0.983 886 D CA 1.408 55.424 54.000 0.026 0.000 0.878 886 D CB -0.178 40.628 40.800 0.010 0.000 0.920 886 D HN 0.766 nan 8.370 nan 0.000 0.479 887 D N 0.415 120.838 120.400 0.038 0.000 2.178 887 D HA -0.147 4.494 4.640 0.001 0.000 0.201 887 D C 1.242 177.558 176.300 0.027 0.000 0.980 887 D CA 1.041 55.051 54.000 0.017 0.000 0.842 887 D CB 0.097 40.890 40.800 -0.012 0.000 0.948 887 D HN -0.020 nan 8.370 nan 0.000 0.472 888 D N -0.420 120.036 120.400 0.093 0.000 2.097 888 D HA -0.112 4.529 4.640 0.001 0.000 0.197 888 D C 2.359 178.894 176.300 0.393 0.000 0.984 888 D CA 0.778 54.915 54.000 0.228 0.000 0.826 888 D CB -0.489 40.532 40.800 0.368 0.000 0.973 888 D HN 0.152 nan 8.370 nan 0.000 0.460 889 V N 1.393 121.487 119.914 0.300 0.000 2.282 889 V HA -0.295 3.825 4.120 0.001 0.000 0.249 889 V C 2.371 178.584 176.094 0.198 0.000 1.057 889 V CA 1.730 64.124 62.300 0.156 0.000 1.032 889 V CB -0.453 31.311 31.823 -0.098 0.000 0.645 889 V HN 0.187 nan 8.190 nan 0.000 0.447 890 K N 0.317 120.802 120.400 0.141 0.000 2.001 890 K HA -0.231 4.090 4.320 0.001 0.000 0.214 890 K C 2.245 178.934 176.600 0.149 0.000 1.050 890 K CA 2.172 58.533 56.287 0.122 0.000 0.934 890 K CB -0.343 32.198 32.500 0.068 0.000 0.718 890 K HN 0.582 nan 8.250 nan 0.000 0.443 891 R N 1.027 121.608 120.500 0.135 0.000 2.276 891 R HA -0.024 4.317 4.340 0.001 0.000 0.203 891 R C 0.160 176.663 176.300 0.338 0.000 1.017 891 R CA 0.636 56.803 56.100 0.113 0.000 1.010 891 R CB -0.209 30.028 30.300 -0.104 0.000 0.900 891 R HN 0.010 nan 8.270 nan 0.000 0.469 892 D N 2.344 123.054 120.400 0.517 0.000 2.344 892 D HA -0.051 4.590 4.640 0.001 0.000 0.253 892 D C 0.390 176.888 176.300 0.330 0.000 1.255 892 D CA -0.258 54.067 54.000 0.541 0.000 0.894 892 D CB 0.588 41.694 40.800 0.511 0.000 1.067 892 D HN 0.440 nan 8.370 nan 0.000 0.492 893 N N 2.860 121.712 118.700 0.255 0.000 2.331 893 N HA -0.161 4.580 4.740 0.001 0.000 0.180 893 N C 1.094 176.714 175.510 0.183 0.000 1.019 893 N CA 0.733 53.892 53.050 0.182 0.000 0.881 893 N CB 0.078 38.645 38.487 0.133 0.000 0.972 893 N HN 0.457 nan 8.380 nan 0.000 0.435 894 E N 0.091 120.409 120.200 0.196 0.000 2.016 894 E HA -0.102 4.249 4.350 0.001 0.000 0.190 894 E C 1.618 178.332 176.600 0.190 0.000 0.985 894 E CA 0.817 57.320 56.400 0.173 0.000 0.802 894 E CB -0.095 29.707 29.700 0.170 0.000 0.762 894 E HN 0.290 nan 8.360 nan 0.000 0.448 895 I N 1.510 122.228 120.570 0.247 0.000 2.454 895 I HA -0.255 3.915 4.170 0.001 0.000 0.254 895 I C 2.018 178.419 176.117 0.473 0.000 1.156 895 I CA 1.242 62.721 61.300 0.297 0.000 1.433 895 I CB -0.119 38.102 38.000 0.369 0.000 1.082 895 I HN 0.057 nan 8.210 nan 0.000 0.432 896 Q N 0.031 120.048 119.800 0.363 0.000 1.941 896 Q HA -0.119 4.222 4.340 0.001 0.000 0.201 896 Q C 2.421 178.577 176.000 0.260 0.000 0.982 896 Q CA 2.064 58.038 55.803 0.285 0.000 0.839 896 Q CB -1.010 27.848 28.738 0.201 0.000 0.904 896 Q HN 0.416 nan 8.270 nan 0.000 0.427 897 S N 0.634 116.472 115.700 0.230 0.000 2.440 897 S HA -0.180 4.291 4.470 0.001 0.000 0.240 897 S C 1.321 176.089 174.600 0.279 0.000 1.014 897 S CA 1.105 59.447 58.200 0.237 0.000 0.980 897 S CB -0.392 62.917 63.200 0.181 0.000 0.775 897 S HN 0.455 nan 8.310 nan 0.000 0.499 898 W N 1.550 122.913 121.300 0.106 0.000 2.354 898 W HA -0.049 4.611 4.660 0.001 0.000 0.315 898 W C 1.815 178.357 176.519 0.037 0.000 1.206 898 W CA 0.823 58.213 57.345 0.075 0.000 1.290 898 W CB -0.526 28.982 29.460 0.080 0.000 1.152 898 W HN 0.239 nan 8.180 nan 0.000 0.489 899 I N -0.425 120.197 120.570 0.087 0.000 2.617 899 I HA -0.140 4.031 4.170 0.001 0.000 0.256 899 I C 2.230 178.180 176.117 -0.278 0.000 1.167 899 I CA 1.206 62.309 61.300 -0.328 0.000 1.469 899 I CB -0.885 36.810 38.000 -0.509 0.000 1.098 899 I HN 0.173 nan 8.210 nan 0.000 0.436 900 Y N 0.902 121.103 120.300 -0.166 0.000 2.163 900 Y HA -0.272 4.279 4.550 0.001 0.000 0.288 900 Y C 2.293 178.139 175.900 -0.091 0.000 1.136 900 Y CA 2.132 60.171 58.100 -0.101 0.000 1.147 900 Y CB -0.430 38.013 38.460 -0.029 0.000 0.987 900 Y HN 0.242 nan 8.280 nan 0.000 0.509 901 D N -0.221 120.169 120.400 -0.015 0.000 2.106 901 D HA -0.198 4.443 4.640 0.001 0.000 0.191 901 D C 2.178 178.326 176.300 -0.255 0.000 0.997 901 D CA 1.978 55.957 54.000 -0.034 0.000 0.834 901 D CB -0.329 40.563 40.800 0.154 0.000 0.956 901 D HN 0.272 nan 8.370 nan 0.000 0.448 902 V N -0.042 119.624 119.914 -0.413 0.000 2.469 902 V HA -0.232 3.888 4.120 0.001 0.000 0.251 902 V C 2.270 178.036 176.094 -0.548 0.000 1.064 902 V CA 1.966 63.879 62.300 -0.644 0.000 1.066 902 V CB -0.732 30.326 31.823 -1.275 0.000 0.667 902 V HN 0.327 nan 8.190 nan 0.000 0.461 903 H N 0.926 119.657 119.070 -0.565 0.000 2.261 903 H HA -0.126 4.431 4.556 0.001 0.000 0.301 903 H C 2.300 177.363 175.328 -0.440 0.000 1.067 903 H CA 2.382 58.158 56.048 -0.453 0.000 1.297 903 H CB -0.070 29.431 29.762 -0.435 0.000 1.377 903 H HN 0.295 nan 8.280 nan 0.000 0.492 904 K N -0.023 119.995 120.400 -0.636 0.000 1.985 904 K HA -0.067 4.253 4.320 0.001 0.000 0.210 904 K C 1.782 178.102 176.600 -0.467 0.000 1.047 904 K CA 2.244 58.205 56.287 -0.544 0.000 0.932 904 K CB -0.103 32.096 32.500 -0.502 0.000 0.716 904 K HN 0.468 nan 8.250 nan 0.000 0.439 905 N N -1.210 117.179 118.700 -0.517 0.000 2.402 905 N HA 0.086 4.826 4.740 0.001 0.000 0.174 905 N C 1.579 176.456 175.510 -1.054 0.000 1.027 905 N CA 0.458 53.082 53.050 -0.709 0.000 0.891 905 N CB 0.169 38.198 38.487 -0.762 0.000 1.016 905 N HN 0.281 nan 8.380 nan 0.000 0.439 906 G N 0.729 108.993 108.800 -0.894 0.000 2.605 906 G HA2 -0.151 3.809 3.960 0.001 0.000 0.215 906 G HA3 -0.151 3.809 3.960 0.001 0.000 0.215 906 G C -0.392 174.420 174.900 -0.146 0.000 1.279 906 G CA 0.190 44.832 45.100 -0.764 0.000 0.831 906 G HN 0.192 nan 8.290 nan 0.000 0.560 907 W N 2.609 123.750 121.300 -0.264 0.000 2.175 907 W HA 0.579 5.240 4.660 0.001 0.000 0.350 907 W C -0.019 176.353 176.519 -0.245 0.000 0.877 907 W CA -1.769 55.509 57.345 -0.111 0.000 1.544 907 W CB -0.540 28.898 29.460 -0.037 0.000 1.585 907 W HN 0.069 nan 8.180 nan 0.000 0.347 908 R N 0.907 121.364 120.500 -0.072 0.000 2.522 908 R HA 0.186 4.526 4.340 0.001 0.000 0.284 908 R C 0.012 176.138 176.300 -0.291 0.000 1.032 908 R CA -0.188 55.766 56.100 -0.243 0.000 1.049 908 R CB 0.640 30.747 30.300 -0.321 0.000 0.956 908 R HN -0.039 nan 8.270 nan 0.000 0.422 909 V N 4.961 124.724 119.914 -0.251 0.000 2.322 909 V HA 0.089 4.209 4.120 0.001 0.000 0.258 909 V C 0.307 176.263 176.094 -0.231 0.000 1.074 909 V CA -0.281 61.873 62.300 -0.244 0.000 0.909 909 V CB -0.040 31.685 31.823 -0.163 0.000 1.090 909 V HN 0.708 nan 8.190 nan 0.000 0.486 910 N N 5.260 123.805 118.700 -0.259 0.000 2.725 910 N HA 0.585 5.325 4.740 0.001 0.000 0.312 910 N C -2.538 173.066 175.510 0.156 0.000 1.295 910 N CA -1.291 51.760 53.050 0.002 0.000 0.914 910 N CB 1.277 39.786 38.487 0.037 0.000 1.177 910 N HN 0.262 nan 8.380 nan 0.000 0.601 911 P HA 0.081 nan 4.420 nan 0.000 0.271 911 P C 0.614 177.964 177.300 0.082 0.000 1.233 911 P CA 0.420 63.565 63.100 0.075 0.000 0.789 911 P CB 0.313 32.032 31.700 0.033 0.000 0.951 912 G N -0.635 108.174 108.800 0.014 0.000 2.302 912 G HA2 -0.240 3.721 3.960 0.001 0.000 0.263 912 G HA3 -0.240 3.721 3.960 0.001 0.000 0.263 912 G C 0.582 175.427 174.900 -0.091 0.000 0.995 912 G CA 0.250 45.319 45.100 -0.052 0.000 0.622 912 G HN 0.736 nan 8.290 nan 0.000 0.538 913 H N 0.691 119.737 119.070 -0.039 0.000 2.597 913 H HA 0.469 5.025 4.556 0.001 0.000 0.370 913 H C 0.695 175.932 175.328 -0.151 0.000 1.281 913 H CA 0.386 56.388 56.048 -0.077 0.000 1.422 913 H CB 0.632 30.372 29.762 -0.038 0.000 1.524 913 H HN 0.447 nan 8.280 nan 0.000 0.607 914 Q N 0.150 119.883 119.800 -0.112 0.000 2.333 914 Q HA 0.146 4.486 4.340 0.001 0.000 0.266 914 Q C -0.720 175.018 176.000 -0.436 0.000 1.053 914 Q CA -0.926 54.752 55.803 -0.207 0.000 0.890 914 Q CB 1.643 30.274 28.738 -0.177 0.000 1.337 914 Q HN 0.546 nan 8.270 nan 0.000 0.474 915 D N -0.330 119.897 120.400 -0.289 0.000 2.399 915 D HA -0.017 4.624 4.640 0.001 0.000 0.241 915 D C 0.095 176.204 176.300 -0.320 0.000 1.133 915 D CA 0.530 54.370 54.000 -0.265 0.000 0.890 915 D CB 0.601 41.358 40.800 -0.072 0.000 1.201 915 D HN 0.445 nan 8.370 nan 0.000 0.432 916 H N 2.181 121.294 119.070 0.072 0.000 2.652 916 H HA 0.228 4.784 4.556 0.001 0.000 0.274 916 H C 1.246 176.716 175.328 0.236 0.000 1.021 916 H CA 0.507 56.639 56.048 0.141 0.000 1.187 916 H CB 0.688 30.564 29.762 0.190 0.000 1.505 916 H HN 0.654 nan 8.280 nan 0.000 0.530 917 G N 1.674 110.625 108.800 0.252 0.000 2.233 917 G HA2 -0.297 3.663 3.960 0.001 0.000 0.270 917 G HA3 -0.297 3.663 3.960 0.001 0.000 0.270 917 G C 0.302 175.318 174.900 0.194 0.000 1.011 917 G CA 0.551 45.768 45.100 0.195 0.000 0.762 917 G HN 0.236 nan 8.290 nan 0.000 0.511 918 V N 2.674 122.731 119.914 0.239 0.000 2.405 918 V HA 0.269 4.389 4.120 0.001 0.000 0.264 918 V C -1.129 174.887 176.094 -0.131 0.000 1.048 918 V CA -1.373 60.997 62.300 0.116 0.000 0.966 918 V CB 0.876 32.783 31.823 0.139 0.000 1.015 918 V HN 0.227 nan 8.190 nan 0.000 0.477 919 P HA -0.024 nan 4.420 nan 0.000 0.263 919 P C 0.483 177.504 177.300 -0.465 0.000 1.175 919 P CA 0.208 63.129 63.100 -0.299 0.000 0.761 919 P CB 0.795 32.346 31.700 -0.248 0.000 0.794 920 A N 2.389 124.913 122.820 -0.492 0.000 2.235 920 A HA 0.231 4.551 4.320 0.001 0.000 0.208 920 A C 0.668 178.215 177.584 -0.061 0.000 1.172 920 A CA 0.997 52.847 52.037 -0.313 0.000 0.786 920 A CB -0.610 18.264 19.000 -0.209 0.000 0.804 920 A HN 0.722 nan 8.150 nan 0.000 0.479 921 S N -2.245 113.345 115.700 -0.183 0.000 2.680 921 S HA 0.513 4.984 4.470 0.001 0.000 0.284 921 S C -0.999 173.504 174.600 -0.161 0.000 1.055 921 S CA -0.799 57.325 58.200 -0.126 0.000 0.849 921 S CB -0.139 63.063 63.200 0.003 0.000 1.068 921 S HN 0.184 nan 8.310 nan 0.000 0.453 922 F N 1.864 121.863 119.950 0.083 0.000 2.405 922 F HA 0.477 5.005 4.527 0.001 0.000 0.355 922 F C 1.479 177.299 175.800 0.033 0.000 1.121 922 F CA -0.529 57.505 58.000 0.057 0.000 1.112 922 F CB 1.386 40.423 39.000 0.061 0.000 1.126 922 F HN 0.680 nan 8.300 nan 0.000 0.481 923 E N 1.136 121.474 120.200 0.229 0.000 2.413 923 E HA 0.060 4.411 4.350 0.001 0.000 0.203 923 E C 0.463 177.110 176.600 0.079 0.000 0.957 923 E CA 0.207 56.680 56.400 0.122 0.000 0.950 923 E CB 0.870 30.621 29.700 0.084 0.000 0.957 923 E HN 0.449 nan 8.360 nan 0.000 0.497 924 S N -0.560 115.183 115.700 0.072 0.000 2.751 924 S HA 0.422 4.892 4.470 0.001 0.000 0.310 924 S C 0.747 175.304 174.600 -0.071 0.000 1.128 924 S CA -0.584 57.622 58.200 0.010 0.000 0.931 924 S CB 1.490 64.702 63.200 0.020 0.000 1.177 924 S HN -0.104 nan 8.310 nan 0.000 0.530 925 R N 0.157 120.597 120.500 -0.099 0.000 2.140 925 R HA 0.096 4.437 4.340 0.001 0.000 0.213 925 R C 1.337 177.538 176.300 -0.165 0.000 1.059 925 R CA 0.708 56.697 56.100 -0.184 0.000 1.000 925 R CB -0.147 30.072 30.300 -0.137 0.000 0.910 925 R HN 0.575 nan 8.270 nan 0.000 0.455 926 E N 1.170 121.320 120.200 -0.084 0.000 2.208 926 E HA -0.183 4.167 4.350 0.001 0.000 0.193 926 E C 1.725 178.308 176.600 -0.029 0.000 0.988 926 E CA 0.801 57.171 56.400 -0.050 0.000 0.828 926 E CB -0.220 29.479 29.700 -0.002 0.000 0.763 926 E HN 0.383 nan 8.360 nan 0.000 0.478 927 Q N 0.210 120.002 119.800 -0.014 0.000 2.050 927 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 927 Q C 2.120 178.073 176.000 -0.078 0.000 0.980 927 Q CA 1.157 57.007 55.803 0.079 0.000 0.840 927 Q CB -0.065 28.797 28.738 0.205 0.000 0.898 927 Q HN 0.259 nan 8.270 nan 0.000 0.424 928 L N 1.056 122.004 121.223 -0.459 0.000 1.988 928 L HA -0.163 4.178 4.340 0.001 0.000 0.207 928 L C 2.270 178.901 176.870 -0.398 0.000 1.071 928 L CA 1.993 56.315 54.840 -0.862 0.000 0.744 928 L CB -0.675 40.839 42.059 -0.908 0.000 0.893 928 L HN 0.120 nan 8.230 nan 0.000 0.433 929 K N -0.442 119.793 120.400 -0.276 0.000 2.066 929 K HA -0.352 3.969 4.320 0.001 0.000 0.221 929 K C 2.056 178.563 176.600 -0.154 0.000 1.056 929 K CA 2.512 58.682 56.287 -0.195 0.000 0.950 929 K CB -0.365 32.048 32.500 -0.145 0.000 0.726 929 K HN 0.549 nan 8.250 nan 0.000 0.456 930 E N -0.332 119.831 120.200 -0.062 0.000 2.002 930 E HA -0.225 4.125 4.350 0.001 0.000 0.205 930 E C 1.939 178.562 176.600 0.037 0.000 1.020 930 E CA 2.165 58.589 56.400 0.041 0.000 0.856 930 E CB -0.148 29.668 29.700 0.193 0.000 0.788 930 E HN 0.173 nan 8.360 nan 0.000 0.477 931 V N 1.216 121.210 119.914 0.132 0.000 2.277 931 V HA -0.351 3.770 4.120 0.001 0.000 0.255 931 V C 2.472 178.609 176.094 0.072 0.000 1.074 931 V CA 2.201 64.611 62.300 0.183 0.000 1.058 931 V CB -0.666 31.439 31.823 0.469 0.000 0.656 931 V HN 0.345 nan 8.190 nan 0.000 0.449 932 L N -0.733 120.505 121.223 0.026 0.000 2.056 932 L HA -0.155 4.185 4.340 0.001 0.000 0.207 932 L C 2.604 179.406 176.870 -0.113 0.000 1.078 932 L CA 1.991 56.819 54.840 -0.020 0.000 0.749 932 L CB -1.101 40.907 42.059 -0.084 0.000 0.901 932 L HN 0.354 nan 8.230 nan 0.000 0.433 933 T N -0.727 113.695 114.554 -0.219 0.000 2.684 933 T HA -0.181 4.170 4.350 0.001 0.000 0.267 933 T C 2.156 176.622 174.700 -0.389 0.000 1.036 933 T CA 1.685 63.515 62.100 -0.450 0.000 1.148 933 T CB -0.231 68.163 68.868 -0.790 0.000 0.863 933 T HN 0.292 nan 8.240 nan 0.000 0.436 934 S N 1.542 117.160 115.700 -0.136 0.000 2.359 934 S HA -0.120 4.350 4.470 0.001 0.000 0.222 934 S C 1.933 176.585 174.600 0.088 0.000 1.038 934 S CA 1.030 59.367 58.200 0.227 0.000 1.051 934 S CB -0.730 62.626 63.200 0.260 0.000 0.944 934 S HN 0.174 nan 8.310 nan 0.000 0.433 935 L N 1.651 122.791 121.223 -0.138 0.000 1.944 935 L HA -0.116 4.225 4.340 0.001 0.000 0.218 935 L C 2.430 179.202 176.870 -0.163 0.000 1.075 935 L CA 1.675 56.326 54.840 -0.314 0.000 0.767 935 L CB -1.010 40.865 42.059 -0.306 0.000 0.890 935 L HN 0.160 nan 8.230 nan 0.000 0.434 936 V N -0.686 119.201 119.914 -0.046 0.000 2.453 936 V HA -0.353 3.768 4.120 0.001 0.000 0.252 936 V C 2.208 178.325 176.094 0.037 0.000 1.068 936 V CA 2.178 64.442 62.300 -0.061 0.000 1.070 936 V CB -0.821 30.870 31.823 -0.221 0.000 0.664 936 V HN 0.527 nan 8.190 nan 0.000 0.461 937 F N 1.121 121.058 119.950 -0.022 0.000 2.149 937 F HA -0.141 4.386 4.527 0.001 0.000 0.294 937 F C 2.472 178.398 175.800 0.210 0.000 1.095 937 F CA 2.057 60.129 58.000 0.120 0.000 1.276 937 F CB -0.516 38.614 39.000 0.217 0.000 1.023 937 F HN 0.085 nan 8.300 nan 0.000 0.480 938 T N 1.024 115.774 114.554 0.326 0.000 2.759 938 T HA -0.212 4.139 4.350 0.001 0.000 0.269 938 T C 1.846 176.634 174.700 0.147 0.000 1.042 938 T CA 1.835 64.071 62.100 0.226 0.000 1.140 938 T CB -0.772 68.203 68.868 0.178 0.000 0.864 938 T HN 0.283 nan 8.240 nan 0.000 0.455 939 F N 1.726 121.730 119.950 0.089 0.000 2.031 939 F HA -0.193 4.335 4.527 0.001 0.000 0.295 939 F C 2.959 178.834 175.800 0.124 0.000 1.133 939 F CA 1.177 59.236 58.000 0.099 0.000 1.188 939 F CB -0.268 38.808 39.000 0.126 0.000 0.974 939 F HN 0.219 nan 8.300 nan 0.000 0.473 940 S N -0.311 115.578 115.700 0.316 0.000 2.355 940 S HA -0.197 4.274 4.470 0.001 0.000 0.210 940 S C 2.017 176.697 174.600 0.133 0.000 1.035 940 S CA 1.217 59.564 58.200 0.246 0.000 1.011 940 S CB -1.198 62.138 63.200 0.226 0.000 1.000 940 S HN 0.415 nan 8.310 nan 0.000 0.423 941 C N 1.441 120.667 119.300 -0.125 0.000 2.489 941 C HA 0.075 4.536 4.460 0.001 0.000 0.279 941 C C 3.015 177.910 174.990 -0.159 0.000 1.266 941 C CA 0.785 59.666 59.018 -0.230 0.000 1.707 941 C CB -1.494 25.881 27.740 -0.610 0.000 2.059 941 C HN 0.682 nan 8.230 nan 0.000 0.481 942 Q N 0.892 120.495 119.800 -0.329 0.000 1.985 942 Q HA -0.229 4.112 4.340 0.001 0.000 0.207 942 Q C 2.223 178.353 176.000 0.217 0.000 0.996 942 Q CA 2.140 57.979 55.803 0.060 0.000 0.851 942 Q CB -0.919 27.939 28.738 0.200 0.000 0.921 942 Q HN 0.784 nan 8.270 nan 0.000 0.418 943 H N -0.754 118.412 119.070 0.160 0.000 2.289 943 H HA -0.196 4.360 4.556 0.001 0.000 0.294 943 H C 1.652 177.138 175.328 0.264 0.000 1.095 943 H CA 1.946 58.111 56.048 0.196 0.000 1.256 943 H CB -0.169 29.692 29.762 0.165 0.000 1.359 943 H HN 0.406 nan 8.280 nan 0.000 0.487 944 A N 0.706 123.756 122.820 0.384 0.000 1.986 944 A HA -0.103 4.217 4.320 0.001 0.000 0.220 944 A C 2.355 180.189 177.584 0.417 0.000 1.171 944 A CA 1.916 54.246 52.037 0.488 0.000 0.640 944 A CB -0.702 18.498 19.000 0.335 0.000 0.811 944 A HN 0.572 nan 8.150 nan 0.000 0.451 945 A N -1.799 121.203 122.820 0.303 0.000 2.423 945 A HA 0.533 4.854 4.320 0.001 0.000 0.246 945 A C 1.127 178.841 177.584 0.215 0.000 1.278 945 A CA 0.653 52.887 52.037 0.328 0.000 0.903 945 A CB 0.339 19.622 19.000 0.472 0.000 0.997 945 A HN 0.423 nan 8.150 nan 0.000 0.510 946 V N -0.660 119.335 119.914 0.135 0.000 3.411 946 V HA 0.108 4.229 4.120 0.001 0.000 0.287 946 V C 1.449 177.516 176.094 -0.045 0.000 1.543 946 V CA 0.639 63.014 62.300 0.124 0.000 1.028 946 V CB 0.504 32.429 31.823 0.170 0.000 0.840 946 V HN 0.604 nan 8.190 nan 0.000 0.435 947 N N -0.032 118.503 118.700 -0.275 0.000 2.564 947 N HA 0.137 4.877 4.740 0.001 0.000 0.202 947 N C 1.216 176.384 175.510 -0.569 0.000 1.052 947 N CA 0.748 53.380 53.050 -0.698 0.000 0.872 947 N CB 0.289 38.001 38.487 -1.291 0.000 1.303 947 N HN 0.385 nan 8.380 nan 0.000 0.440 948 F N 1.418 121.311 119.950 -0.095 0.000 2.797 948 F HA 0.196 4.724 4.527 0.001 0.000 0.302 948 F C 1.713 177.644 175.800 0.218 0.000 1.130 948 F CA 0.086 58.094 58.000 0.012 0.000 1.387 948 F CB 0.093 39.115 39.000 0.037 0.000 1.107 948 F HN 0.012 nan 8.300 nan 0.000 0.577 949 S N -0.977 114.883 115.700 0.267 0.000 2.743 949 S HA 0.053 4.523 4.470 0.001 0.000 0.230 949 S C 1.157 175.781 174.600 0.041 0.000 0.950 949 S CA -0.176 58.094 58.200 0.117 0.000 0.976 949 S CB -0.319 62.741 63.200 -0.234 0.000 0.779 949 S HN 0.476 nan 8.310 nan 0.000 0.487 950 Q N 0.444 120.293 119.800 0.081 0.000 2.281 950 Q HA 0.241 4.581 4.340 0.001 0.000 0.215 950 Q C 0.207 176.257 176.000 0.083 0.000 0.867 950 Q CA 0.089 55.913 55.803 0.034 0.000 0.940 950 Q CB 0.423 29.151 28.738 -0.018 0.000 1.111 950 Q HN 0.531 nan 8.270 nan 0.000 0.513 960 A N 2.309 125.232 122.820 0.173 0.000 3.165 960 A HA 0.613 4.934 4.320 0.001 0.000 0.331 960 A C -2.636 175.020 177.584 0.120 0.000 1.034 960 A CA -0.927 51.205 52.037 0.158 0.000 0.906 960 A CB 0.357 19.429 19.000 0.119 0.000 1.054 960 A HN 0.167 nan 8.150 nan 0.000 0.484 961 P HA 0.401 nan 4.420 nan 0.000 0.272 961 P C 0.914 178.229 177.300 0.025 0.000 1.223 961 P CA 0.149 63.269 63.100 0.033 0.000 0.784 961 P CB 1.412 33.079 31.700 -0.054 0.000 0.923 962 A N 2.522 125.346 122.820 0.006 0.000 1.924 962 A HA 0.204 4.524 4.320 0.001 0.000 0.211 962 A C 0.758 178.344 177.584 0.002 0.000 1.198 962 A CA 0.812 52.859 52.037 0.016 0.000 0.657 962 A CB -0.371 18.636 19.000 0.012 0.000 0.852 962 A HN 0.539 nan 8.150 nan 0.000 0.454 963 I N 0.605 121.158 120.570 -0.028 0.000 2.465 963 I HA 0.426 4.597 4.170 0.001 0.000 0.291 963 I C -1.148 174.917 176.117 -0.087 0.000 1.014 963 I CA -0.442 60.845 61.300 -0.022 0.000 1.093 963 I CB 1.841 39.839 38.000 -0.004 0.000 1.267 963 I HN -0.009 nan 8.210 nan 0.000 0.431 964 L N 5.648 126.824 121.223 -0.079 0.000 2.329 964 L HA 0.521 4.862 4.340 0.001 0.000 0.279 964 L C 1.149 178.000 176.870 -0.031 0.000 1.014 964 L CA -0.680 54.042 54.840 -0.196 0.000 0.814 964 L CB 2.279 44.027 42.059 -0.517 0.000 1.257 964 L HN 0.705 nan 8.230 nan 0.000 0.424 965 R N 0.494 120.925 120.500 -0.114 0.000 2.055 965 R HA 0.009 4.349 4.340 0.001 0.000 0.228 965 R C 0.567 176.807 176.300 -0.099 0.000 1.143 965 R CA 0.818 56.854 56.100 -0.107 0.000 0.945 965 R CB 0.056 30.203 30.300 -0.254 0.000 0.841 965 R HN 0.523 nan 8.270 nan 0.000 0.429 966 H N -0.063 118.934 119.070 -0.122 0.000 2.580 966 H HA 0.324 4.881 4.556 0.001 0.000 0.324 966 H C -1.983 173.019 175.328 -0.543 0.000 1.436 966 H CA -2.125 53.761 56.048 -0.270 0.000 1.464 966 H CB 0.766 30.444 29.762 -0.140 0.000 1.752 966 H HN 0.017 nan 8.280 nan 0.000 0.726 967 P HA 0.262 nan 4.420 nan 0.000 0.284 967 P C -2.652 174.665 177.300 0.028 0.000 1.287 967 P CA -1.785 61.086 63.100 -0.382 0.000 0.824 967 P CB 0.032 31.525 31.700 -0.345 0.000 1.180 968 P HA 0.265 nan 4.420 nan 0.000 0.271 968 P C -2.296 174.963 177.300 -0.070 0.000 1.218 968 P CA -0.952 61.958 63.100 -0.317 0.000 0.780 968 P CB -1.419 29.878 31.700 -0.672 0.000 0.901 969 P HA 0.169 nan 4.420 nan 0.000 0.271 969 P C 0.485 177.874 177.300 0.149 0.000 1.220 969 P CA 0.012 63.168 63.100 0.093 0.000 0.768 969 P CB 0.632 32.411 31.700 0.132 0.000 0.848 970 K N 1.414 121.872 120.400 0.097 0.000 2.365 970 K HA 0.044 4.364 4.320 0.001 0.000 0.197 970 K C 0.364 177.017 176.600 0.089 0.000 1.042 970 K CA 0.792 57.126 56.287 0.078 0.000 0.987 970 K CB 0.221 32.741 32.500 0.033 0.000 0.779 970 K HN 0.432 nan 8.250 nan 0.000 0.484 971 K N 0.949 121.425 120.400 0.126 0.000 2.207 971 K HA 0.186 4.507 4.320 0.001 0.000 0.255 971 K C -0.498 176.193 176.600 0.152 0.000 0.941 971 K CA -0.497 55.845 56.287 0.092 0.000 0.825 971 K CB 1.904 34.445 32.500 0.068 0.000 1.119 971 K HN -0.223 nan 8.250 nan 0.000 0.430 972 K N 1.514 121.901 120.400 -0.022 0.000 2.480 972 K HA 0.090 4.411 4.320 0.001 0.000 0.241 972 K C -0.352 176.292 176.600 0.073 0.000 1.261 972 K CA 0.047 56.257 56.287 -0.127 0.000 1.193 972 K CB -0.556 31.746 32.500 -0.331 0.000 1.598 972 K HN 0.912 nan 8.250 nan 0.000 0.278 973 G N 1.728 110.653 108.800 0.207 0.000 2.761 973 G HA2 -0.071 3.890 3.960 0.001 0.000 0.230 973 G HA3 -0.071 3.890 3.960 0.001 0.000 0.230 973 G C -0.126 174.855 174.900 0.135 0.000 1.659 973 G CA -0.547 44.653 45.100 0.166 0.000 0.998 973 G HN 0.440 nan 8.290 nan 0.000 0.506 974 E N 0.216 120.510 120.200 0.157 0.000 2.329 974 E HA 0.402 4.753 4.350 0.001 0.000 0.189 974 E C 1.668 178.310 176.600 0.070 0.000 0.997 974 E CA 0.385 56.842 56.400 0.095 0.000 1.062 974 E CB 0.129 29.879 29.700 0.084 0.000 1.260 974 E HN 0.763 nan 8.360 nan 0.000 0.490 975 A N 2.615 125.479 122.820 0.073 0.000 2.592 975 A HA -0.002 4.319 4.320 0.001 0.000 0.250 975 A C 0.781 178.351 177.584 -0.023 0.000 1.017 975 A CA 1.141 53.194 52.037 0.026 0.000 0.794 975 A CB -0.541 18.483 19.000 0.039 0.000 0.917 975 A HN 0.376 nan 8.150 nan 0.000 0.515 976 T N 0.541 115.025 114.554 -0.117 0.000 2.850 976 T HA 0.465 4.816 4.350 0.001 0.000 0.269 976 T C 1.142 175.629 174.700 -0.355 0.000 1.075 976 T CA 0.058 61.976 62.100 -0.302 0.000 0.987 976 T CB -0.052 68.702 68.868 -0.191 0.000 1.889 976 T HN 0.478 nan 8.240 nan 0.000 0.584 977 L N 0.723 121.751 121.223 -0.325 0.000 2.131 977 L HA 0.183 4.524 4.340 0.001 0.000 0.206 977 L C 2.934 179.750 176.870 -0.090 0.000 1.087 977 L CA 1.658 56.390 54.840 -0.180 0.000 0.767 977 L CB -1.123 40.871 42.059 -0.108 0.000 0.917 977 L HN 0.839 nan 8.230 nan 0.000 0.441 978 Q N -0.775 118.977 119.800 -0.079 0.000 2.061 978 Q HA -0.220 4.120 4.340 0.001 0.000 0.204 978 Q C 2.173 178.147 176.000 -0.043 0.000 0.984 978 Q CA 2.417 58.191 55.803 -0.048 0.000 0.846 978 Q CB -0.118 28.598 28.738 -0.037 0.000 0.902 978 Q HN 0.727 nan 8.270 nan 0.000 0.421 979 S N 0.814 116.480 115.700 -0.056 0.000 2.398 979 S HA -0.261 4.210 4.470 0.001 0.000 0.220 979 S C 1.930 176.496 174.600 -0.058 0.000 1.038 979 S CA 1.559 59.731 58.200 -0.047 0.000 1.080 979 S CB -1.181 61.984 63.200 -0.058 0.000 1.039 979 S HN 0.499 nan 8.310 nan 0.000 0.419 980 I N 1.593 122.116 120.570 -0.077 0.000 2.103 980 I HA -0.292 3.878 4.170 0.001 0.000 0.241 980 I C 2.634 178.632 176.117 -0.198 0.000 1.036 980 I CA 1.791 63.010 61.300 -0.135 0.000 1.300 980 I CB -0.630 37.345 38.000 -0.043 0.000 1.010 980 I HN 0.240 nan 8.210 nan 0.000 0.406 981 L N 0.055 121.203 121.223 -0.125 0.000 1.976 981 L HA -0.202 4.139 4.340 0.001 0.000 0.209 981 L C 2.416 179.218 176.870 -0.113 0.000 1.071 981 L CA 1.882 56.650 54.840 -0.120 0.000 0.746 981 L CB -0.711 41.308 42.059 -0.065 0.000 0.890 981 L HN 0.102 nan 8.230 nan 0.000 0.432 982 S N -1.566 114.100 115.700 -0.056 0.000 2.653 982 S HA -0.062 4.408 4.470 0.001 0.000 0.233 982 S C 1.499 176.090 174.600 -0.016 0.000 0.970 982 S CA 0.994 59.181 58.200 -0.022 0.000 0.947 982 S CB -0.324 62.909 63.200 0.055 0.000 0.771 982 S HN 0.498 nan 8.310 nan 0.000 0.538 983 T N 1.077 115.583 114.554 -0.079 0.000 2.978 983 T HA 0.338 4.688 4.350 0.001 0.000 0.248 983 T C 0.605 175.126 174.700 -0.298 0.000 1.018 983 T CA 0.001 62.019 62.100 -0.137 0.000 1.026 983 T CB 0.237 69.025 68.868 -0.134 0.000 1.032 983 T HN 0.181 nan 8.240 nan 0.000 0.485 984 L N 1.510 122.525 121.223 -0.347 0.000 2.469 984 L HA 0.402 4.742 4.340 0.001 0.000 0.253 984 L C -2.364 174.357 176.870 -0.249 0.000 1.143 984 L CA -2.621 51.977 54.840 -0.404 0.000 0.804 984 L CB -0.065 41.673 42.059 -0.534 0.000 1.214 984 L HN -0.139 nan 8.230 nan 0.000 0.476 985 P HA 0.015 nan 4.420 nan 0.000 0.268 985 P C -0.546 176.692 177.300 -0.102 0.000 1.205 985 P CA -0.193 62.831 63.100 -0.127 0.000 0.771 985 P CB 0.818 32.460 31.700 -0.097 0.000 0.858 986 S N 2.475 118.130 115.700 -0.076 0.000 2.569 986 S HA -0.043 4.428 4.470 0.001 0.000 0.274 986 S C 1.503 176.078 174.600 -0.043 0.000 1.353 986 S CA -0.155 58.011 58.200 -0.056 0.000 1.023 986 S CB 0.055 63.229 63.200 -0.043 0.000 0.876 986 S HN 0.489 nan 8.310 nan 0.000 0.540 987 K N 1.447 121.826 120.400 -0.034 0.000 2.228 987 K HA -0.156 4.164 4.320 0.001 0.000 0.205 987 K C 2.033 178.620 176.600 -0.021 0.000 1.045 987 K CA 1.968 58.240 56.287 -0.025 0.000 0.931 987 K CB -0.420 32.069 32.500 -0.019 0.000 0.727 987 K HN 0.763 nan 8.250 nan 0.000 0.458 988 S N -0.561 115.126 115.700 -0.021 0.000 2.387 988 S HA -0.114 4.357 4.470 0.001 0.000 0.221 988 S C 2.017 176.606 174.600 -0.018 0.000 1.041 988 S CA 0.309 58.498 58.200 -0.018 0.000 0.959 988 S CB -0.279 62.912 63.200 -0.015 0.000 0.843 988 S HN 0.363 nan 8.310 nan 0.000 0.488 989 Q N 1.295 121.082 119.800 -0.021 0.000 2.173 989 Q HA -0.176 4.165 4.340 0.001 0.000 0.208 989 Q C 2.205 178.191 176.000 -0.023 0.000 0.989 989 Q CA 1.764 57.554 55.803 -0.022 0.000 0.872 989 Q CB -0.548 28.172 28.738 -0.030 0.000 0.909 989 Q HN 0.769 nan 8.270 nan 0.000 0.420 990 A N 0.322 123.127 122.820 -0.025 0.000 1.840 990 A HA -0.049 4.272 4.320 0.001 0.000 0.214 990 A C 2.279 179.860 177.584 -0.007 0.000 1.198 990 A CA 1.434 53.461 52.037 -0.017 0.000 0.608 990 A CB -1.162 17.828 19.000 -0.017 0.000 0.839 990 A HN 0.508 nan 8.150 nan 0.000 0.443 991 A N -0.119 122.695 122.820 -0.010 0.000 1.958 991 A HA -0.260 4.061 4.320 0.001 0.000 0.221 991 A C 2.088 179.668 177.584 -0.007 0.000 1.178 991 A CA 2.178 54.209 52.037 -0.010 0.000 0.642 991 A CB -0.569 18.421 19.000 -0.017 0.000 0.816 991 A HN 0.570 nan 8.150 nan 0.000 0.453 992 K N -0.660 119.734 120.400 -0.009 0.000 2.103 992 K HA -0.125 4.196 4.320 0.001 0.000 0.207 992 K C 2.304 178.905 176.600 0.000 0.000 1.048 992 K CA 1.224 57.506 56.287 -0.008 0.000 0.930 992 K CB -0.309 32.182 32.500 -0.014 0.000 0.716 992 K HN 0.500 nan 8.250 nan 0.000 0.444 993 A N 1.347 124.168 122.820 0.002 0.000 1.872 993 A HA -0.107 4.214 4.320 0.001 0.000 0.214 993 A C 2.076 179.678 177.584 0.029 0.000 1.187 993 A CA 1.028 53.072 52.037 0.012 0.000 0.614 993 A CB -0.519 18.489 19.000 0.012 0.000 0.826 993 A HN 0.159 nan 8.150 nan 0.000 0.442 994 I N 0.017 120.604 120.570 0.030 0.000 2.145 994 I HA -0.391 3.780 4.170 0.001 0.000 0.244 994 I C 3.005 179.164 176.117 0.069 0.000 1.075 994 I CA 1.321 62.648 61.300 0.044 0.000 1.332 994 I CB -0.460 37.553 38.000 0.022 0.000 1.033 994 I HN 0.404 nan 8.210 nan 0.000 0.410 995 A N 0.411 123.260 122.820 0.048 0.000 1.892 995 A HA -0.256 4.065 4.320 0.001 0.000 0.218 995 A C 2.368 180.020 177.584 0.113 0.000 1.188 995 A CA 2.729 54.810 52.037 0.073 0.000 0.631 995 A CB -1.217 17.802 19.000 0.033 0.000 0.822 995 A HN 0.425 nan 8.150 nan 0.000 0.447 996 T N -0.153 114.442 114.554 0.068 0.000 2.622 996 T HA -0.163 4.188 4.350 0.001 0.000 0.266 996 T C 1.867 176.601 174.700 0.057 0.000 1.047 996 T CA 1.834 63.967 62.100 0.056 0.000 1.159 996 T CB -0.670 68.213 68.868 0.026 0.000 0.863 996 T HN 0.165 nan 8.240 nan 0.000 0.422 997 V N 0.456 120.404 119.914 0.057 0.000 2.469 997 V HA -0.192 3.928 4.120 0.001 0.000 0.251 997 V C 2.023 178.154 176.094 0.062 0.000 1.064 997 V CA 1.674 63.998 62.300 0.039 0.000 1.066 997 V CB -0.787 31.068 31.823 0.054 0.000 0.667 997 V HN 0.533 nan 8.190 nan 0.000 0.461 998 Y N 0.112 120.413 120.300 0.001 0.000 2.314 998 Y HA -0.089 4.461 4.550 0.001 0.000 0.293 998 Y C 2.151 178.062 175.900 0.019 0.000 1.129 998 Y CA 1.411 59.520 58.100 0.014 0.000 1.201 998 Y CB -0.024 38.447 38.460 0.018 0.000 0.999 998 Y HN 0.195 nan 8.280 nan 0.000 0.541 999 I N -0.503 120.075 120.570 0.014 0.000 2.333 999 I HA -0.250 3.921 4.170 0.001 0.000 0.246 999 I C 1.919 178.013 176.117 -0.039 0.000 1.106 999 I CA 0.900 62.195 61.300 -0.007 0.000 1.411 999 I CB -0.258 37.818 38.000 0.126 0.000 1.082 999 I HN 0.169 nan 8.210 nan 0.000 0.420 1000 L N 0.255 121.441 121.223 -0.061 0.000 2.362 1000 L HA -0.096 4.244 4.340 0.001 0.000 0.219 1000 L C 1.669 178.345 176.870 -0.323 0.000 1.134 1000 L CA 1.241 55.999 54.840 -0.136 0.000 0.807 1000 L CB -0.755 41.212 42.059 -0.152 0.000 0.927 1000 L HN 0.390 nan 8.230 nan 0.000 0.447 1001 T N -4.089 110.285 114.554 -0.299 0.000 3.293 1001 T HA 0.203 4.554 4.350 0.001 0.000 0.276 1001 T C 0.072 174.626 174.700 -0.244 0.000 1.003 1001 T CA -0.563 61.339 62.100 -0.330 0.000 0.916 1001 T CB 0.148 68.915 68.868 -0.167 0.000 1.134 1001 T HN -0.161 nan 8.240 nan 0.000 0.530 1002 K N 1.777 122.021 120.400 -0.259 0.000 2.334 1002 K HA 0.553 4.873 4.320 0.001 0.000 0.265 1002 K C -0.921 175.642 176.600 -0.062 0.000 1.039 1002 K CA -1.417 54.753 56.287 -0.196 0.000 0.920 1002 K CB -0.242 32.064 32.500 -0.324 0.000 1.160 1002 K HN 0.196 nan 8.250 nan 0.000 0.451 1003 F N 1.486 121.501 119.950 0.108 0.000 2.496 1003 F HA 0.191 4.718 4.527 0.001 0.000 0.344 1003 F C 1.365 177.174 175.800 0.016 0.000 1.155 1003 F CA -0.170 57.884 58.000 0.090 0.000 1.302 1003 F CB 0.428 39.494 39.000 0.111 0.000 1.159 1003 F HN 0.520 nan 8.300 nan 0.000 0.595 1004 S N -0.044 115.752 115.700 0.159 0.000 2.730 1004 S HA 0.272 4.743 4.470 0.001 0.000 0.284 1004 S C 0.920 175.547 174.600 0.046 0.000 1.153 1004 S CA -0.677 57.556 58.200 0.055 0.000 0.995 1004 S CB 1.421 64.603 63.200 -0.030 0.000 1.058 1004 S HN 0.757 nan 8.310 nan 0.000 0.552 1005 E N 0.748 120.957 120.200 0.016 0.000 2.077 1005 E HA -0.203 4.148 4.350 0.001 0.000 0.193 1005 E C 0.987 177.564 176.600 -0.037 0.000 0.989 1005 E CA 1.540 57.940 56.400 0.000 0.000 0.800 1005 E CB -0.141 29.562 29.700 0.005 0.000 0.746 1005 E HN 0.835 nan 8.360 nan 0.000 0.452 1006 D N 0.407 120.777 120.400 -0.050 0.000 2.325 1006 D HA -0.076 4.564 4.640 0.001 0.000 0.234 1006 D C -0.203 176.006 176.300 -0.152 0.000 1.122 1006 D CA -0.030 53.921 54.000 -0.082 0.000 0.850 1006 D CB -0.115 40.654 40.800 -0.051 0.000 0.921 1006 D HN -0.002 nan 8.370 nan 0.000 0.513 1007 E N 1.328 121.409 120.200 -0.197 0.000 2.366 1007 E HA 0.054 4.404 4.350 0.001 0.000 0.266 1007 E C -0.425 175.808 176.600 -0.612 0.000 1.015 1007 E CA -0.010 56.185 56.400 -0.342 0.000 0.906 1007 E CB 0.461 29.975 29.700 -0.309 0.000 0.979 1007 E HN 0.058 nan 8.360 nan 0.000 0.443 1008 R N 4.640 124.852 120.500 -0.480 0.000 2.204 1008 R HA 0.190 4.531 4.340 0.001 0.000 0.341 1008 R C -0.607 175.440 176.300 -0.421 0.000 1.035 1008 R CA -0.443 55.396 56.100 -0.434 0.000 0.887 1008 R CB 0.514 30.646 30.300 -0.280 0.000 1.114 1008 R HN 0.585 nan 8.270 nan 0.000 0.473 1009 Y N 1.552 121.772 120.300 -0.132 0.000 2.299 1009 Y HA 0.054 4.604 4.550 0.001 0.000 0.335 1009 Y C 0.865 176.676 175.900 -0.149 0.000 1.287 1009 Y CA -0.825 57.200 58.100 -0.126 0.000 1.424 1009 Y CB 0.477 38.835 38.460 -0.170 0.000 1.326 1009 Y HN 0.375 nan 8.280 nan 0.000 0.567 1010 L N 1.930 123.219 121.223 0.111 0.000 2.559 1010 L HA 0.189 4.530 4.340 0.001 0.000 0.282 1010 L C 1.029 177.878 176.870 -0.035 0.000 1.232 1010 L CA 1.895 56.765 54.840 0.051 0.000 0.885 1010 L CB -0.226 41.921 42.059 0.147 0.000 1.131 1010 L HN 0.950 nan 8.230 nan 0.000 0.498 1011 G N 2.949 111.572 108.800 -0.296 0.000 2.729 1011 G HA2 -0.333 3.628 3.960 0.001 0.000 0.216 1011 G HA3 -0.333 3.628 3.960 0.001 0.000 0.216 1011 G C 0.594 175.100 174.900 -0.656 0.000 1.252 1011 G CA 0.136 44.954 45.100 -0.470 0.000 0.751 1011 G HN 0.892 nan 8.290 nan 0.000 0.527 1012 N N 1.345 119.806 118.700 -0.400 0.000 2.257 1012 N HA 0.030 4.770 4.740 0.001 0.000 0.289 1012 N C -0.215 175.115 175.510 -0.301 0.000 1.348 1012 N CA 0.560 53.434 53.050 -0.293 0.000 1.054 1012 N CB -0.453 37.895 38.487 -0.232 0.000 1.478 1012 N HN 0.450 nan 8.380 nan 0.000 0.486 1013 Y N -0.081 120.213 120.300 -0.009 0.000 2.708 1013 Y HA 0.093 4.644 4.550 0.001 0.000 0.287 1013 Y C 1.966 177.876 175.900 0.017 0.000 1.145 1013 Y CA -0.463 57.649 58.100 0.021 0.000 1.249 1013 Y CB -0.293 38.239 38.460 0.121 0.000 1.152 1013 Y HN 0.452 nan 8.280 nan 0.000 0.532 1014 S N -0.539 115.221 115.700 0.100 0.000 2.447 1014 S HA -0.052 4.419 4.470 0.001 0.000 0.233 1014 S C 1.556 176.195 174.600 0.066 0.000 1.006 1014 S CA 0.731 58.979 58.200 0.081 0.000 0.957 1014 S CB -0.106 63.121 63.200 0.046 0.000 0.773 1014 S HN 0.284 nan 8.310 nan 0.000 0.507 1015 A N 1.581 124.399 122.820 -0.003 0.000 3.181 1015 A HA 0.565 4.885 4.320 0.001 0.000 0.293 1015 A C 0.310 177.504 177.584 -0.650 0.000 1.346 1015 A CA -0.597 51.367 52.037 -0.121 0.000 1.018 1015 A CB -0.405 18.614 19.000 0.032 0.000 1.093 1015 A HN 0.437 nan 8.150 nan 0.000 0.629 1016 T N -1.320 112.906 114.554 -0.547 0.000 2.942 1016 T HA 0.572 4.923 4.350 0.001 0.000 0.289 1016 T C 0.734 175.054 174.700 -0.633 0.000 1.044 1016 T CA 0.052 61.772 62.100 -0.633 0.000 1.023 1016 T CB 1.904 70.652 68.868 -0.200 0.000 1.123 1016 T HN 0.441 nan 8.240 nan 0.000 0.512 1017 A N 0.160 122.627 122.820 -0.588 0.000 2.476 1017 A HA 0.270 4.591 4.320 0.001 0.000 0.263 1017 A C -0.227 177.225 177.584 -0.221 0.000 1.342 1017 A CA -0.770 51.113 52.037 -0.258 0.000 0.926 1017 A CB -0.845 18.052 19.000 -0.172 0.000 1.019 1017 A HN 0.803 nan 8.150 nan 0.000 0.515 1018 W N 0.748 122.018 121.300 -0.051 0.000 2.446 1018 W HA 0.256 4.917 4.660 0.001 0.000 0.316 1018 W C 0.791 177.303 176.519 -0.013 0.000 1.376 1018 W CA -0.519 56.813 57.345 -0.021 0.000 1.300 1018 W CB 0.670 30.119 29.460 -0.017 0.000 1.351 1018 W HN 0.375 nan 8.180 nan 0.000 0.530 1019 E N 1.079 121.414 120.200 0.226 0.000 2.399 1019 E HA -0.045 4.306 4.350 0.001 0.000 0.205 1019 E C -0.095 176.551 176.600 0.078 0.000 0.906 1019 E CA 0.183 56.643 56.400 0.099 0.000 0.998 1019 E CB 0.094 29.810 29.700 0.025 0.000 1.002 1019 E HN 0.372 nan 8.360 nan 0.000 0.501 1020 D N 2.600 123.091 120.400 0.152 0.000 2.358 1020 D HA -0.022 4.619 4.640 0.001 0.000 0.258 1020 D C 1.132 177.436 176.300 0.007 0.000 1.223 1020 D CA 0.230 54.289 54.000 0.099 0.000 0.886 1020 D CB 1.150 42.091 40.800 0.235 0.000 1.120 1020 D HN -0.059 nan 8.370 nan 0.000 0.482 1021 K N 3.328 123.686 120.400 -0.069 0.000 2.044 1021 K HA -0.263 4.058 4.320 0.001 0.000 0.224 1021 K C 0.901 177.406 176.600 -0.157 0.000 1.056 1021 K CA 2.030 58.234 56.287 -0.138 0.000 0.962 1021 K CB 0.138 32.532 32.500 -0.176 0.000 0.730 1021 K HN 0.490 nan 8.250 nan 0.000 0.453 1022 D N -0.197 120.100 120.400 -0.173 0.000 2.144 1022 D HA -0.160 4.480 4.640 0.001 0.000 0.199 1022 D C 1.876 178.016 176.300 -0.266 0.000 0.984 1022 D CA 1.307 55.176 54.000 -0.218 0.000 0.834 1022 D CB -0.229 40.423 40.800 -0.245 0.000 0.955 1022 D HN 0.447 nan 8.370 nan 0.000 0.465 1023 A N 2.110 124.744 122.820 -0.309 0.000 1.851 1023 A HA -0.157 4.164 4.320 0.001 0.000 0.216 1023 A C 2.275 179.648 177.584 -0.351 0.000 1.195 1023 A CA 0.793 52.555 52.037 -0.458 0.000 0.622 1023 A CB -0.964 17.721 19.000 -0.525 0.000 0.831 1023 A HN 0.170 nan 8.150 nan 0.000 0.444 1024 L N -0.094 121.000 121.223 -0.217 0.000 2.103 1024 L HA -0.275 4.066 4.340 0.001 0.000 0.215 1024 L C 1.928 178.746 176.870 -0.086 0.000 1.080 1024 L CA 2.550 57.324 54.840 -0.111 0.000 0.764 1024 L CB -1.120 40.906 42.059 -0.055 0.000 0.890 1024 L HN 0.445 nan 8.230 nan 0.000 0.435 1025 D N -0.798 119.531 120.400 -0.117 0.000 2.144 1025 D HA -0.089 4.551 4.640 0.001 0.000 0.200 1025 D C 2.152 178.432 176.300 -0.034 0.000 0.978 1025 D CA 1.278 55.228 54.000 -0.083 0.000 0.833 1025 D CB 0.217 40.947 40.800 -0.117 0.000 0.961 1025 D HN 0.366 nan 8.370 nan 0.000 0.470 1026 A N 1.081 123.866 122.820 -0.059 0.000 1.877 1026 A HA -0.142 4.178 4.320 0.001 0.000 0.216 1026 A C 2.374 180.132 177.584 0.291 0.000 1.186 1026 A CA 0.860 52.927 52.037 0.049 0.000 0.620 1026 A CB -0.795 18.129 19.000 -0.127 0.000 0.822 1026 A HN 0.193 nan 8.150 nan 0.000 0.443 1027 I N 0.092 120.848 120.570 0.310 0.000 2.236 1027 I HA -0.362 3.809 4.170 0.001 0.000 0.249 1027 I C 2.432 178.642 176.117 0.156 0.000 1.102 1027 I CA 1.898 63.365 61.300 0.277 0.000 1.365 1027 I CB -0.625 37.476 38.000 0.168 0.000 1.051 1027 I HN 0.534 nan 8.210 nan 0.000 0.420 1028 N N 1.269 120.032 118.700 0.104 0.000 2.007 1028 N HA -0.229 4.512 4.740 0.001 0.000 0.197 1028 N C 2.000 177.546 175.510 0.061 0.000 1.050 1028 N CA 1.801 54.890 53.050 0.066 0.000 0.856 1028 N CB -0.047 38.468 38.487 0.048 0.000 1.050 1028 N HN 0.159 nan 8.380 nan 0.000 0.423 1029 R N -0.327 120.228 120.500 0.092 0.000 2.091 1029 R HA -0.148 4.193 4.340 0.001 0.000 0.238 1029 R C 2.154 178.521 176.300 0.111 0.000 1.136 1029 R CA 1.040 57.192 56.100 0.086 0.000 0.959 1029 R CB -1.471 28.884 30.300 0.092 0.000 0.856 1029 R HN 0.368 nan 8.270 nan 0.000 0.437 1030 F N 2.808 122.744 119.950 -0.024 0.000 2.065 1030 F HA -0.247 4.281 4.527 0.001 0.000 0.298 1030 F C 2.438 178.095 175.800 -0.238 0.000 1.112 1030 F CA 1.633 59.558 58.000 -0.126 0.000 1.212 1030 F CB -0.764 38.056 39.000 -0.300 0.000 0.975 1030 F HN -0.035 nan 8.300 nan 0.000 0.476 1031 Q N 0.671 120.238 119.800 -0.389 0.000 1.978 1031 Q HA -0.264 4.077 4.340 0.001 0.000 0.211 1031 Q C 2.201 177.901 176.000 -0.500 0.000 1.013 1031 Q CA 2.580 58.082 55.803 -0.501 0.000 0.869 1031 Q CB -0.799 27.872 28.738 -0.111 0.000 0.953 1031 Q HN 0.395 nan 8.270 nan 0.000 0.415 1032 D N -0.629 119.651 120.400 -0.201 0.000 2.170 1032 D HA -0.206 4.435 4.640 0.001 0.000 0.193 1032 D C 1.779 177.982 176.300 -0.162 0.000 1.004 1032 D CA 1.499 55.423 54.000 -0.128 0.000 0.860 1032 D CB -0.069 40.714 40.800 -0.029 0.000 0.931 1032 D HN 0.047 nan 8.370 nan 0.000 0.448 1033 K N 0.690 121.008 120.400 -0.136 0.000 1.985 1033 K HA -0.046 4.275 4.320 0.001 0.000 0.210 1033 K C 2.352 178.835 176.600 -0.195 0.000 1.047 1033 K CA 0.771 57.007 56.287 -0.085 0.000 0.932 1033 K CB -0.727 31.798 32.500 0.042 0.000 0.716 1033 K HN 0.099 nan 8.250 nan 0.000 0.439 1034 L N 0.806 121.792 121.223 -0.396 0.000 2.137 1034 L HA -0.267 4.074 4.340 0.001 0.000 0.213 1034 L C 2.457 179.016 176.870 -0.517 0.000 1.085 1034 L CA 1.735 56.239 54.840 -0.559 0.000 0.760 1034 L CB -0.601 40.799 42.059 -1.100 0.000 0.893 1034 L HN 0.348 nan 8.230 nan 0.000 0.434 1035 E N 0.600 120.459 120.200 -0.567 0.000 2.051 1035 E HA -0.252 4.098 4.350 0.001 0.000 0.192 1035 E C 1.694 178.255 176.600 -0.065 0.000 0.991 1035 E CA 1.851 58.129 56.400 -0.203 0.000 0.799 1035 E CB -0.127 29.510 29.700 -0.104 0.000 0.748 1035 E HN 0.421 nan 8.360 nan 0.000 0.449 1036 D N -0.491 119.865 120.400 -0.073 0.000 2.078 1036 D HA -0.116 4.524 4.640 0.001 0.000 0.193 1036 D C 2.005 178.300 176.300 -0.007 0.000 0.990 1036 D CA 1.763 55.750 54.000 -0.021 0.000 0.827 1036 D CB -0.221 40.572 40.800 -0.011 0.000 0.975 1036 D HN 0.272 nan 8.370 nan 0.000 0.451 1037 I N 0.046 120.605 120.570 -0.018 0.000 2.181 1037 I HA -0.351 3.819 4.170 0.001 0.000 0.247 1037 I C 2.478 178.612 176.117 0.028 0.000 1.081 1037 I CA 1.155 62.462 61.300 0.012 0.000 1.340 1037 I CB -0.398 37.612 38.000 0.016 0.000 1.036 1037 I HN 0.078 nan 8.210 nan 0.000 0.417 1038 S N 0.465 116.180 115.700 0.024 0.000 2.351 1038 S HA -0.251 4.219 4.470 0.001 0.000 0.220 1038 S C 2.063 176.688 174.600 0.041 0.000 1.035 1038 S CA 1.674 59.908 58.200 0.056 0.000 1.031 1038 S CB -0.110 63.154 63.200 0.105 0.000 0.928 1038 S HN 0.318 nan 8.310 nan 0.000 0.433 1039 K N 0.405 120.825 120.400 0.033 0.000 2.057 1039 K HA -0.070 4.251 4.320 0.001 0.000 0.207 1039 K C 2.345 178.960 176.600 0.025 0.000 1.049 1039 K CA 1.104 57.406 56.287 0.026 0.000 0.931 1039 K CB -0.121 32.392 32.500 0.022 0.000 0.714 1039 K HN 0.173 nan 8.250 nan 0.000 0.440 1040 K N 0.957 121.373 120.400 0.027 0.000 2.032 1040 K HA -0.137 4.184 4.320 0.001 0.000 0.209 1040 K C 2.117 178.736 176.600 0.031 0.000 1.048 1040 K CA 1.320 57.625 56.287 0.030 0.000 0.927 1040 K CB -0.450 32.070 32.500 0.034 0.000 0.712 1040 K HN 0.213 nan 8.250 nan 0.000 0.441 1041 I N 1.249 121.842 120.570 0.038 0.000 2.113 1041 I HA -0.304 3.866 4.170 0.001 0.000 0.238 1041 I C 2.209 178.343 176.117 0.028 0.000 1.070 1041 I CA 1.428 62.754 61.300 0.043 0.000 1.332 1041 I CB -0.263 37.779 38.000 0.071 0.000 1.044 1041 I HN 0.158 nan 8.210 nan 0.000 0.402 1042 K N 0.325 120.741 120.400 0.027 0.000 2.218 1042 K HA -0.249 4.071 4.320 0.001 0.000 0.205 1042 K C 2.091 178.697 176.600 0.011 0.000 1.046 1042 K CA 1.290 57.586 56.287 0.015 0.000 0.933 1042 K CB -0.211 32.295 32.500 0.009 0.000 0.728 1042 K HN 0.458 nan 8.250 nan 0.000 0.454 1043 Q N 0.051 119.859 119.800 0.014 0.000 2.172 1043 Q HA -0.070 4.271 4.340 0.001 0.000 0.200 1043 Q C 2.219 178.224 176.000 0.010 0.000 0.964 1043 Q CA 0.699 56.510 55.803 0.014 0.000 0.855 1043 Q CB 0.132 28.882 28.738 0.019 0.000 0.918 1043 Q HN 0.160 nan 8.270 nan 0.000 0.444 1044 R N 0.740 121.240 120.500 0.000 0.000 2.119 1044 R HA -0.030 4.311 4.340 0.001 0.000 0.222 1044 R C 1.034 177.301 176.300 -0.056 0.000 1.088 1044 R CA 0.808 56.895 56.100 -0.023 0.000 0.984 1044 R CB 0.013 30.290 30.300 -0.038 0.000 0.884 1044 R HN 0.264 nan 8.270 nan 0.000 0.447 1045 N N 1.264 119.939 118.700 -0.042 0.000 2.494 1045 N HA -0.077 4.664 4.740 0.001 0.000 0.182 1045 N C 1.172 176.681 175.510 -0.001 0.000 1.076 1045 N CA 0.466 53.498 53.050 -0.031 0.000 0.908 1045 N CB 0.125 38.614 38.487 0.003 0.000 0.967 1045 N HN 0.417 nan 8.380 nan 0.000 0.449 1046 E N 0.648 120.850 120.200 0.004 0.000 2.110 1046 E HA -0.064 4.286 4.350 0.001 0.000 0.193 1046 E C 0.930 177.544 176.600 0.024 0.000 0.988 1046 E CA 0.713 57.121 56.400 0.014 0.000 0.804 1046 E CB 0.061 29.770 29.700 0.015 0.000 0.745 1046 E HN 0.373 nan 8.360 nan 0.000 0.458 1047 N N 0.177 118.892 118.700 0.025 0.000 2.424 1047 N HA 0.034 4.774 4.740 0.001 0.000 0.178 1047 N C 0.506 176.052 175.510 0.060 0.000 1.060 1047 N CA 0.319 53.394 53.050 0.042 0.000 0.901 1047 N CB 0.467 38.982 38.487 0.046 0.000 0.979 1047 N HN 0.088 nan 8.380 nan 0.000 0.451 1048 L N 0.837 122.091 121.223 0.051 0.000 2.421 1048 L HA 0.186 4.526 4.340 0.001 0.000 0.263 1048 L C 1.747 178.673 176.870 0.092 0.000 1.122 1048 L CA -0.219 54.672 54.840 0.086 0.000 0.804 1048 L CB 1.233 43.332 42.059 0.067 0.000 1.150 1048 L HN -0.010 nan 8.230 nan 0.000 0.457 1049 E N 0.733 121.011 120.200 0.130 0.000 2.318 1049 E HA 0.030 4.381 4.350 0.001 0.000 0.193 1049 E C -0.458 176.165 176.600 0.039 0.000 0.998 1049 E CA 0.433 56.894 56.400 0.102 0.000 0.859 1049 E CB 0.647 30.448 29.700 0.168 0.000 0.812 1049 E HN 0.429 nan 8.360 nan 0.000 0.492 1050 V N 3.783 123.734 119.914 0.061 0.000 2.465 1050 V HA 0.256 4.377 4.120 0.001 0.000 0.263 1050 V C -2.388 173.855 176.094 0.249 0.000 0.981 1050 V CA -1.473 60.870 62.300 0.073 0.000 0.838 1050 V CB 0.757 32.539 31.823 -0.069 0.000 1.068 1050 V HN 0.080 nan 8.190 nan 0.000 0.458 1051 P HA 0.002 nan 4.420 nan 0.000 0.268 1051 P C -0.911 176.596 177.300 0.345 0.000 1.208 1051 P CA 0.060 63.279 63.100 0.200 0.000 0.777 1051 P CB 0.922 32.682 31.700 0.102 0.000 0.875 1052 Y N 2.826 123.259 120.300 0.221 0.000 2.518 1052 Y HA 0.212 4.762 4.550 0.001 0.000 0.344 1052 Y C 1.491 177.558 175.900 0.278 0.000 0.982 1052 Y CA -0.125 58.173 58.100 0.331 0.000 1.234 1052 Y CB -0.122 38.511 38.460 0.289 0.000 1.114 1052 Y HN 0.200 nan 8.280 nan 0.000 0.515 1053 I N 0.998 121.719 120.570 0.252 0.000 3.081 1053 I HA -0.048 4.123 4.170 0.001 0.000 0.274 1053 I C 0.731 176.879 176.117 0.052 0.000 1.178 1053 I CA 0.113 61.446 61.300 0.055 0.000 1.460 1053 I CB -0.388 37.512 38.000 -0.167 0.000 1.137 1053 I HN 0.364 nan 8.210 nan 0.000 0.443 1054 Y N 2.060 122.250 120.300 -0.184 0.000 2.738 1054 Y HA 0.005 4.556 4.550 0.001 0.000 0.293 1054 Y C 1.879 177.837 175.900 0.097 0.000 1.156 1054 Y CA 0.589 58.635 58.100 -0.090 0.000 1.410 1054 Y CB -0.989 37.343 38.460 -0.214 0.000 0.966 1054 Y HN 0.262 nan 8.280 nan 0.000 0.568 1055 L N -0.557 120.898 121.223 0.387 0.000 2.858 1055 L HA 0.217 4.558 4.340 0.001 0.000 0.251 1055 L C 0.072 177.065 176.870 0.204 0.000 1.149 1055 L CA -0.150 54.892 54.840 0.337 0.000 0.955 1055 L CB 0.241 42.552 42.059 0.420 0.000 1.289 1055 L HN 0.052 nan 8.230 nan 0.000 0.542 1056 L N 1.691 122.998 121.223 0.139 0.000 2.499 1056 L HA 0.022 4.363 4.340 0.001 0.000 0.273 1056 L C -1.196 175.710 176.870 0.060 0.000 1.195 1056 L CA -1.111 53.773 54.840 0.075 0.000 0.882 1056 L CB 0.281 42.341 42.059 0.002 0.000 1.133 1056 L HN -0.138 nan 8.230 nan 0.000 0.483 1057 P HA -0.157 nan 4.420 nan 0.000 0.231 1057 P C 0.623 177.984 177.300 0.102 0.000 1.158 1057 P CA 0.839 64.048 63.100 0.181 0.000 0.763 1057 P CB 0.067 31.951 31.700 0.306 0.000 0.805 1058 E N -0.519 119.641 120.200 -0.068 0.000 2.465 1058 E HA 0.063 4.413 4.350 0.001 0.000 0.195 1058 E C 0.710 176.930 176.600 -0.634 0.000 1.028 1058 E CA 0.039 56.256 56.400 -0.305 0.000 0.899 1058 E CB 0.075 29.583 29.700 -0.321 0.000 1.032 1058 E HN 0.247 nan 8.360 nan 0.000 0.468 1059 R N 0.882 121.134 120.500 -0.413 0.000 2.592 1059 R HA 0.326 4.667 4.340 0.001 0.000 0.439 1059 R C -0.366 175.863 176.300 -0.119 0.000 0.995 1059 R CA -0.253 55.562 56.100 -0.476 0.000 1.141 1059 R CB 0.883 30.973 30.300 -0.351 0.000 1.495 1059 R HN 0.031 nan 8.270 nan 0.000 0.579 1060 I N 2.319 122.922 120.570 0.055 0.000 2.503 1060 I HA 0.288 4.459 4.170 0.001 0.000 0.277 1060 I C -2.490 173.786 176.117 0.264 0.000 1.078 1060 I CA -3.095 58.303 61.300 0.164 0.000 1.184 1060 I CB 0.874 38.967 38.000 0.154 0.000 1.353 1060 I HN -0.299 nan 8.210 nan 0.000 0.490 1061 P HA 0.015 nan 4.420 nan 0.000 0.250 1061 P C 1.081 178.503 177.300 0.203 0.000 1.161 1061 P CA 0.411 63.652 63.100 0.234 0.000 0.863 1061 P CB 0.224 32.086 31.700 0.270 0.000 0.827 1062 N N 1.926 120.700 118.700 0.123 0.000 2.249 1062 N HA -0.215 4.525 4.740 0.001 0.000 0.201 1062 N C 1.215 176.885 175.510 0.266 0.000 0.970 1062 N CA 2.125 55.251 53.050 0.127 0.000 0.925 1062 N CB -0.245 38.170 38.487 -0.120 0.000 1.046 1062 N HN 0.513 nan 8.380 nan 0.000 0.526 1063 G N -2.418 106.485 108.800 0.172 0.000 3.175 1063 G HA2 0.517 4.477 3.960 0.001 0.000 0.153 1063 G HA3 0.517 4.477 3.960 0.001 0.000 0.153 1063 G C -1.007 173.947 174.900 0.089 0.000 1.216 1063 G CA -0.049 45.105 45.100 0.090 0.000 0.943 1063 G HN 0.124 nan 8.290 nan 0.000 0.611 1064 T N -0.111 114.405 114.554 -0.062 0.000 3.109 1064 T HA 0.592 4.943 4.350 0.001 0.000 0.311 1064 T C -0.427 174.178 174.700 -0.158 0.000 1.011 1064 T CA 0.482 62.450 62.100 -0.220 0.000 1.026 1064 T CB 1.505 70.122 68.868 -0.418 0.000 1.047 1064 T HN 1.401 nan 8.240 nan 0.000 0.448 1065 A N 3.336 126.141 122.820 -0.025 0.000 3.076 1065 A HA 0.637 4.958 4.320 0.001 0.000 0.192 1065 A C -0.637 177.079 177.584 0.221 0.000 1.076 1065 A CA -0.197 51.932 52.037 0.153 0.000 1.235 1065 A CB -0.223 18.873 19.000 0.161 0.000 1.249 1065 A HN 0.679 nan 8.150 nan 0.000 0.622 1066 I N 0.000 120.741 120.570 0.284 0.000 2.984 1066 I HA 0.000 4.171 4.170 0.001 0.000 0.288 1066 I CA 0.000 61.436 61.300 0.227 0.000 1.566 1066 I CB 0.000 38.057 38.000 0.096 0.000 1.214 1066 I HN 0.000 nan 8.210 nan 0.000 0.494